A0A3Q0KC78_SCHMA Loading...

Branching Xylosyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KC78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.2	Very low	59.6	Low	218 Å²	218	121.1 Å²	121.1	100%	1.074	61%	0.605	S	S	*	*				0	-46.8	0	-112.3	174	-173.7	0	0	113.1	S3 L4	M1-S3 PolarHBondContact O-N 3.25Å; M1-L4 PolarHBondContact O-N 2.77Å
2	F	43.3	Very low	60.6	Low	192 Å²	192	117.5 Å²	117.5	84%	0.842	60%	0.6	S	S	*	*	H	α-helix	trans	-60.6	-41	179.8	-99.4	-90.2	0	0	0	115	L4 Y5 V6	F2-L4 VanDerWaalsContact C-N 3.35Å; F2-L4 PolarHBondContact O-N 3.42Å; F2-Y5 PolarHBondContact O-N 2.93Å; F2-V6 PolarHBondContact O-N 3.48Å
3	S	50.6	Low	61.9	Low	80 Å²	80	119.2 Å²	119.2	56%	0.559	60%	0.601	S	S	*	*	H	α-helix	trans	-63.4	-36	179.1	175.6	0	0	0	0	113.5	M1 Y5 V6 H7	M1-S3 PolarHBondContact O-N 3.25Å; S3-Y5 VanDerWaalsContact C-N 3.3Å; S3-Y5 PolarHBondContact O-N 3.41Å; S3-V6 PolarHBondContact O-N 3.45Å; S3-H7 PolarHBondContact O-CD2 3Å; S3-H7 PolarHBondContact O-N 3.47Å
4	L	49.9	Very low	62.5	Low	109 Å²	109	118.9 Å²	118.9	57%	0.571	60%	0.598	S	S	*	*	H	α-helix	trans	-64.9	-35.4	178.5	-124.5	98.1	0	0	0	112.4	M1 F2 L8	M1-L4 PolarHBondContact O-N 2.77Å; F2-L4 VanDerWaalsContact C-N 3.35Å; F2-L4 PolarHBondContact O-N 3.42Å; L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.11Å; L4-L8 VanDerWaalsContact O-N 3.13Å
5	Y	58.9	Low	63.1	Low	175 Å²	175	118.1 Å²	118.1	69%	0.686	60%	0.595	S	S	*	*	H	α-helix	trans	-68.5	-41.6	-178.8	-143.2	-90	0	0	0	111.3	F2 S3 L8 E9	F2-Y5 PolarHBondContact O-N 2.93Å; S3-Y5 VanDerWaalsContact C-N 3.3Å; S3-Y5 PolarHBondContact O-N 3.41Å; Y5-L8 PolarHBondContact O-N 3.46Å; Y5-E9 PolarHBondContact O-N 3.39Å; Y5-E9 VanDerWaalsContact O-N 3.11Å
6	V	64.4	Low	63.6	Low	87 Å²	87	114.9 Å²	114.9	53%	0.527	59%	0.587	S	S	.	*	H	α-helix	trans	-64.3	-42.9	176.9	179.3	0	0	0	0	111.1	F2 S3 L8 E9 V10	F2-V6 PolarHBondContact O-N 3.48Å; S3-V6 PolarHBondContact O-N 3.45Å; V6-L8 PolarHBondContact O-N 3.07Å; V6-E9 PolarHBondContact O-N 2.93Å; V6-V10 WeakPolarHBondContact O-CG2 3.41Å; V6-V10 PolarHBondContact O-N 2.99Å; V6-V10 VanDerWaalsContact O-N 3.14Å
7	H	63	Low	64.1	Low	121 Å²	121	117.7 Å²	117.7	56%	0.56	59%	0.59	S	S	*	*	H	α-helix	trans	-64.8	-38.5	177.8	-77.2	-61.3	0	0	0	113.2	S3 V10 L11	S3-H7 PolarHBondContact O-CD2 3Å; S3-H7 PolarHBondContact O-N 3.47Å; H7-V10 PolarHBondContact O-N 3.22Å; H7-L11 PolarHBondContact O-N 3.02Å; H7-L11 VanDerWaalsContact O-N 3.09Å
8	L	66.6	Low	64.4	Low	105 Å²	105	117.1 Å²	117.1	55%	0.55	59%	0.588	S	S	.	*	H	α-helix	trans	-65.8	-38.5	176	-79	163.3	0	0	0	112.4	L4 Y5 V6 L11 S12	L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.11Å; L4-L8 VanDerWaalsContact O-N 3.13Å; Y5-L8 PolarHBondContact O-N 3.46Å; V6-L8 PolarHBondContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 2.93Å; L8-S12 WeakPolarHBondContact O-CB 3.14Å; L8-S12 PolarHBondContact O-N 3.46Å
9	E	71.4	Confident	64.5	Low	105 Å²	105	118.8 Å²	118.8	49%	0.491	59%	0.588	S	S	.	*	H	α-helix	trans	-65.5	-41.2	176.6	-118.6	-163.7	138.5	0	0	112.4	Y5 V6 S12 K13	Y5-E9 PolarHBondContact O-N 3.39Å; Y5-E9 VanDerWaalsContact O-N 3.11Å; V6-E9 PolarHBondContact O-N 2.93Å; E9-S12 PolarHBondContact O-N 3.47Å; E9-K13 WeakPolarHBondContact O-CG 3.36Å; E9-K13 PolarHBondContact O-N 3.09Å
10	V	72	Confident	64.8	Low	78 Å²	78	120.9 Å²	120.9	47%	0.473	59%	0.593	S	S	.	*	H	α-helix	trans	-65.7	-43.3	177.5	174.6	0	0	0	0	111	V6 H7 K13 M14	V6-V10 WeakPolarHBondContact O-CG2 3.41Å; V6-V10 PolarHBondContact O-N 2.99Å; V6-V10 VanDerWaalsContact O-N 3.14Å; H7-V10 PolarHBondContact O-N 3.22Å; V10-K13 PolarHBondContact O-N 2.93Å; V10-M14 PolarHBondContact O-N 3.21Å
11	L	68.8	Low	65.1	Low	62 Å²	62	117.2 Å²	117.2	33%	0.325	58%	0.576	S	S	.	*	H	α-helix	trans	-62.9	-43.1	175.9	-103.4	143	0	0	0	112.3	H7 L8 K13 M14 I15 M55	H7-L11 PolarHBondContact O-N 3.02Å; H7-L11 VanDerWaalsContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 2.93Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.41Å; L11-M14 PolarHBondContact O-N 3.35Å; L11-I15 HydrophobicContact CD2-CD1 4.39Å; L11-I15 WeakPolarHBondContact O-CG1 3.17Å; L11-I15 PolarHBondContact O-N 3.03Å; L11-M55 HydrophobicContact CD1-CE 3.64Å; L11-M55 HydrophobicContact CD1-SD 4.07Å; L11-M55 HydrophobicContact CD2-CE 4.27Å; L11-M55 HydrophobicContact CD2-SD 4.23Å
12	S	71.3	Confident	65.7	Low	78 Å²	78	109.1 Å²	109.1	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-58.1	-44.4	174.3	177.2	0	0	0	0	111.6	L8 E9 S16	L8-S12 WeakPolarHBondContact O-CB 3.14Å; L8-S12 PolarHBondContact O-N 3.46Å; E9-S12 PolarHBondContact O-N 3.47Å; S12-S16 VanDerWaalsContact O-CB 3.27Å; S12-S16 WeakPolarHBondContact O-CB 3.35Å; S12-S16 PolarHBondContact O-N 2.96Å
13	K	77	Confident	66.3	Low	139 Å²	139	108.8 Å²	108.8	60%	0.604	53%	0.534	S	S	*	.	H	α-helix	trans	-65.4	-40.5	176	-73.8	175.9	-178.3	169.4	0	112.5	E9 V10 L11 Y17	E9-K13 WeakPolarHBondContact O-CG 3.36Å; E9-K13 PolarHBondContact O-N 3.09Å; V10-K13 PolarHBondContact O-N 2.93Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.41Å; K13-Y17 WeakPolarHBondContact O-CB 3.46Å; K13-Y17 PolarHBondContact O-N 2.65Å
14	M	71	Confident	66.7	Low	115 Å²	115	113.1 Å²	113.1	57%	0.567	54%	0.543	S	S	*	.	H	α-helix	trans	-65.7	-45.4	176	-77.5	-174.3	82.7	0	0	112.4	V10 L11 S16 Y17 I18	V10-M14 PolarHBondContact O-N 3.21Å; L11-M14 PolarHBondContact O-N 3.35Å; M14-S16 VanDerWaalsContact C-N 3.34Å; M14-S16 PolarHBondContact O-N 2.76Å; M14-Y17 WeakPolarHBondContact O-CB 3.35Å; M14-Y17 PolarHBondContact O-N 2.99Å; M14-I18 VanDerWaalsContact O-CG1 3.32Å; M14-I18 WeakPolarHBondContact O-CG1 3.45Å; M14-I18 PolarHBondContact O-N 3.2Å
15	I	71.7	Confident	66.8	Low	107 Å²	107	117.2 Å²	117.2	55%	0.549	55%	0.552	S	S	.	*	H	α-helix	trans	-63.1	-43.3	177.9	-67.5	169.4	0	0	0	110.2	L11 Y17 I18 Y19	L11-I15 HydrophobicContact CD2-CD1 4.39Å; L11-I15 WeakPolarHBondContact O-CG1 3.17Å; L11-I15 PolarHBondContact O-N 3.03Å; I15-Y17 VanDerWaalsContact C-N 3.33Å; I15-Y17 PolarHBondContact O-N 3.07Å; I15-I18 PolarHBondContact O-N 2.94Å; I15-Y19 VanDerWaalsContact O-CB 3.32Å; I15-Y19 WeakPolarHBondContact O-CB 3.26Å; I15-Y19 PolarHBondContact O-N 3.02Å
16	S	70.6	Confident	66.3	Low	67 Å²	67	115.2 Å²	115.2	47%	0.469	55%	0.547	S	S	.	.	H	α-helix	trans	-61.6	-39.9	175.2	-171.4	0	0	0	0	112.2	S12 M14 K20	S12-S16 VanDerWaalsContact O-CB 3.27Å; S12-S16 WeakPolarHBondContact O-CB 3.35Å; S12-S16 PolarHBondContact O-N 2.96Å; M14-S16 VanDerWaalsContact C-N 3.34Å; M14-S16 PolarHBondContact O-N 2.76Å; S16-K20 WeakPolarHBondContact O-CB 3.39Å; S16-K20 PolarHBondContact O-N 3.23Å
17	Y	72.8	Confident	65.6	Low	163 Å²	163	116.4 Å²	116.4	64%	0.639	55%	0.551	S	S	*	*	H	α-helix	trans	-65.6	-45.6	175.5	-177.9	-95.1	0	0	0	112.6	K13 M14 I15 K20 N21	K13-Y17 WeakPolarHBondContact O-CB 3.46Å; K13-Y17 PolarHBondContact O-N 2.65Å; M14-Y17 WeakPolarHBondContact O-CB 3.35Å; M14-Y17 PolarHBondContact O-N 2.99Å; I15-Y17 VanDerWaalsContact C-N 3.33Å; I15-Y17 PolarHBondContact O-N 3.07Å; Y17-K20 PolarHBondContact O-N 3.34Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.45Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.46Å; Y17-N21 WeakPolarHBondContact O-CB 3.42Å; Y17-N21 PolarHBondContact O-N 3.1Å; Y17-N21 PolarHBondContact O-ND2 2.85Å; Y17-N21 PolarHBondContact OH-ND2 3.36Å
18	I	68.6	Low	65	Low	107 Å²	107	115.1 Å²	115.1	55%	0.549	55%	0.553	S	S	.	*	H	α-helix	trans	-63.4	-43.6	177.3	-67.5	167.1	0	0	0	110.2	M14 I15 N21 S22	M14-I18 VanDerWaalsContact O-CG1 3.32Å; M14-I18 WeakPolarHBondContact O-CG1 3.45Å; M14-I18 PolarHBondContact O-N 3.2Å; I15-I18 PolarHBondContact O-N 2.94Å; I18-N21 PolarHBondContact O-N 3.43Å; I18-S22 WeakPolarHBondContact O-CB 3.22Å; I18-S22 PolarHBondContact O-N 2.96Å; I18-S22 PolarHBondContact O-OG 3.41Å
19	Y	67.1	Low	64.3	Low	149 Å²	149	121 Å²	121	58%	0.584	57%	0.568	S	S	*	*	H	α-helix	trans	-65.7	-40.3	178.1	-171.5	-94.1	0	0	0	112.6	I15 S22	I15-Y19 VanDerWaalsContact O-CB 3.32Å; I15-Y19 WeakPolarHBondContact O-CB 3.26Å; I15-Y19 PolarHBondContact O-N 3.02Å; Y19-S22 PolarHBondContact O-OG 2.91Å; Y19-S22 VanDerWaalsContact O-OG 3.1Å
20	K	70.2	Confident	63.3	Low	161 Å²	161	126.4 Å²	126.4	70%	0.7	58%	0.584	S	S	*	*	H	α-helix	trans	-65.6	-39.2	174.7	-101.5	-178.7	172.9	177.5	0	112.4	S16 Y17	S16-K20 WeakPolarHBondContact O-CB 3.39Å; S16-K20 PolarHBondContact O-N 3.23Å; Y17-K20 PolarHBondContact O-N 3.34Å
21	N	71.2	Confident	62.2	Low	43 Å²	43	126.9 Å²	126.9	23%	0.23	58%	0.583	C	S	.	*	H	α-helix	trans	-84.5	-25.9	-176.7	-77	-43.7	0	0	0	114	Y17 I18 R23 K24 Y25	Y17-N21 WeakPolarHBondContact CE1-ND2 3.45Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.46Å; Y17-N21 WeakPolarHBondContact O-CB 3.42Å; Y17-N21 PolarHBondContact O-N 3.1Å; Y17-N21 PolarHBondContact O-ND2 2.85Å; Y17-N21 PolarHBondContact OH-ND2 3.36Å; I18-N21 PolarHBondContact O-N 3.43Å; N21-R23 VanDerWaalsContact C-N 3.27Å; N21-R23 PolarHBondContact O-N 2.88Å; N21-K24 WeakPolarHBondContact O-CA 3.44Å; N21-K24 VanDerWaalsContact O-CB 3.27Å; N21-K24 WeakPolarHBondContact O-CB 3.18Å; N21-K24 PolarHBondContact O-N 2.94Å; N21-Y25 VanDerWaalsContact O-CD2 3.28Å; N21-Y25 WeakPolarHBondContact O-CD2 3.28Å
22	S	58.5	Low	61.3	Low	49 Å²	49	131.8 Å²	131.8	34%	0.343	60%	0.604	S	S	.	*	H	α-helix	trans	-62.5	-35.4	176.1	65.7	0	0	0	0	112	I18 Y19 K24 Y25 F26	I18-S22 WeakPolarHBondContact O-CB 3.22Å; I18-S22 PolarHBondContact O-N 2.96Å; I18-S22 PolarHBondContact O-OG 3.41Å; Y19-S22 PolarHBondContact O-OG 2.91Å; Y19-S22 VanDerWaalsContact O-OG 3.1Å; S22-K24 PolarHBondContact O-N 3.47Å; S22-Y25 PolarHBondContact O-N 2.92Å; S22-F26 PolarHBondContact O-N 3.28Å; S22-F26 VanDerWaalsContact O-N 3.09Å
23	R	56.6	Low	60.3	Low	185 Å²	185	133.3 Å²	133.3	70%	0.698	62%	0.615	S	S	*	*	H	α-helix	trans	-62	-21.4	171	-82.7	-170.9	178.6	-169.5	1.1	113.9	N21	N21-R23 VanDerWaalsContact C-N 3.27Å; N21-R23 PolarHBondContact O-N 2.88Å
24	K	59	Low	59.3	Low	170 Å²	170	132.4 Å²	132.4	74%	0.739	62%	0.621	S	S	*	*	H	α-helix	trans	-82.1	-22.3	179.6	-129.6	-179.1	-175.9	-176.2	0	113	N21 S22	N21-K24 WeakPolarHBondContact O-CA 3.44Å; N21-K24 VanDerWaalsContact O-CB 3.27Å; N21-K24 WeakPolarHBondContact O-CB 3.18Å; N21-K24 PolarHBondContact O-N 2.94Å; S22-K24 PolarHBondContact O-N 3.47Å
25	Y	53.1	Low	58.3	Low	195 Å²	195	129.8 Å²	129.8	77%	0.765	61%	0.609	S	S	*	*	H	α-helix	trans	-107.4	-17.4	-178.5	-65.4	-73.8	0	0	0	113.8	N21 S22 N27	N21-Y25 VanDerWaalsContact O-CD2 3.28Å; N21-Y25 WeakPolarHBondContact O-CD2 3.28Å; S22-Y25 PolarHBondContact O-N 2.92Å; Y25-N27 PolarHBondContact O-N 3.45Å
26	F	47.8	Very low	57.6	Low	133 Å²	133	130.6 Å²	130.6	58%	0.583	61%	0.614	S	S	*	*			trans	-93.2	99.4	174.6	-89.8	-101.5	0	0	0	110.7	S22 P28 L31	S22-F26 PolarHBondContact O-N 3.28Å; S22-F26 VanDerWaalsContact O-N 3.09Å; F26-P28 WeakPolarHBondContact O-CD 3.27Å; F26-L31 HydrophobicContact CD1-CD2 4.45Å; F26-L31 HydrophobicContact CE1-CD2 3.76Å
27	N	48.6	Very low	57.2	Low	113 Å²	113	133.1 Å²	133.1	60%	0.604	62%	0.622	S	S	*	*			trans	-70.1	108.8	162.6	-170.5	-17.2	0	0	0	108.2	Y25 R29	Y25-N27 PolarHBondContact O-N 3.45Å; N27-R29 PolarHBondContact O-N 2.87Å; N27-R29 VanDerWaalsContact O-N 3.07Å; N27-R29 PolarHBondContact OD1-N 3.29Å
28	P	51.4	Low	57.1	Low	93 Å²	93	130.4 Å²	130.4	60%	0.604	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-17	-170.5	-19.4	33.1	0	0	0	113.5	F26 R30 Q32	F26-P28 WeakPolarHBondContact O-CD 3.27Å; P28-R30 PolarHBondContact O-N 3.48Å; P28-Q32 PolarHBondContact O-OE1 2.88Å
29	R	51.5	Low	57.2	Low	230 Å²	230	128.3 Å²	128.3	87%	0.868	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-3.8	-170.7	-71.9	-174.2	178.3	178	-0.1	115.8	N27	N27-R29 PolarHBondContact O-N 2.87Å; N27-R29 VanDerWaalsContact O-N 3.07Å; N27-R29 PolarHBondContact OD1-N 3.29Å
30	R	50.4	Low	57.3	Low	218 Å²	218	125.6 Å²	125.6	82%	0.823	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	-10.4	-177.5	-107.1	-176.3	179.8	-175.4	0.3	116.3	P28	P28-R30 PolarHBondContact O-N 3.48Å
31	L	49.3	Very low	57.3	Low	88 Å²	88	124.5 Å²	124.5	46%	0.461	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.4	-10.7	177	-119.7	81.5	0	0	0	114	F26 S33 V34 L35	F26-L31 HydrophobicContact CD1-CD2 4.45Å; F26-L31 HydrophobicContact CE1-CD2 3.76Å; L31-S33 PolarHBondContact O-N 3.32Å; L31-V34 PolarHBondContact O-N 3.46Å; L31-L35 HydrophobicContact CD2-CD1 3.81Å; L31-L35 HydrophobicContact CG-CD1 4.35Å
32	Q	49.6	Very low	57.6	Low	165 Å²	165	127.4 Å²	127.4	77%	0.771	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-10.8	-172.7	-134.7	161.7	-4.4	0	0	113.9	P28	P28-Q32 PolarHBondContact O-OE1 2.88Å
33	S	50.4	Low	58.5	Low	110 Å²	110	129 Å²	129	77%	0.769	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-2.3	179	63.7	0	0	0	0	115.1	L31	L31-S33 PolarHBondContact O-N 3.32Å
34	V	55.3	Low	59.4	Low	119 Å²	119	123.3 Å²	123.3	72%	0.721	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	-16.3	-172.4	-176.2	0	0	0	0	113.4	L31	L31-V34 PolarHBondContact O-N 3.46Å
35	L	51.5	Low	60.3	Low	61 Å²	61	118.8 Å²	118.8	32%	0.319	59%	0.594	S	S	.	*	S	Bend	trans	-115.9	102.8	-179.3	-82	149.6	0	0	0	110	L31 D37 V39 I43	L31-L35 HydrophobicContact CD2-CD1 3.81Å; L31-L35 HydrophobicContact CG-CD1 4.35Å; L35-D37 PolarHBondContact O-N 3.26Å; L35-V39 HydrophobicContact CD2-CB 3.87Å; L35-V39 HydrophobicContact CD2-CG1 3.43Å; L35-V39 VanDerWaalsContact CD2-CG1 3.43Å; L35-I43 HydrophobicContact CD2-CD1 4.45Å
36	N	56.7	Low	61.7	Low	123 Å²	123	113.1 Å²	113.1	66%	0.658	58%	0.58	S	S	*	*			trans	-51.3	135.9	168.4	-130.7	-11.3	0	0	0	108.7	N38 V39 L40	N36-N38 PolarHBondContact O-N 3.36Å; N36-V39 HydrophobicContact CB-CG2 4.18Å; N36-V39 WeakPolarHBondContact O-CB 3.48Å; N36-V39 PolarHBondContact O-N 2.92Å; N36-L40 PolarHBondContact O-N 2.89Å
37	D	61.6	Low	63.3	Low	120 Å²	120	110.4 Å²	110.4	64%	0.642	58%	0.575	S	S	*	*	H	α-helix	trans	-50.8	-29	-177.4	-97.2	-28	0	0	0	113.2	L35 K41	L35-D37 PolarHBondContact O-N 3.26Å; D37-K41 WeakPolarHBondContact O-CG 3.34Å; D37-K41 PolarHBondContact O-N 3.45Å; D37-K41 VanDerWaalsContact O-N 3.11Å
38	N	70.7	Confident	64.9	Low	107 Å²	107	109.8 Å²	109.8	57%	0.572	57%	0.57	S	S	*	*	H	α-helix	trans	-66.6	-37.1	174.7	-72	-24	0	0	0	113.2	N36 I42	N36-N38 PolarHBondContact O-N 3.36Å; N38-I42 WeakPolarHBondContact O-CD1 3.31Å; N38-I42 WeakPolarHBondContact O-CG1 3.43Å; N38-I42 PolarHBondContact O-N 3.22Å
39	V	71.7	Confident	66.5	Low	63 Å²	63	110 Å²	110	38%	0.382	57%	0.565	S	S	.	*	H	α-helix	trans	-70.1	-42	178.8	-176	0	0	0	0	110.6	L35 N36 K41 I42 I43	L35-V39 HydrophobicContact CD2-CB 3.87Å; L35-V39 HydrophobicContact CD2-CG1 3.43Å; L35-V39 VanDerWaalsContact CD2-CG1 3.43Å; N36-V39 HydrophobicContact CB-CG2 4.18Å; N36-V39 WeakPolarHBondContact O-CB 3.48Å; N36-V39 PolarHBondContact O-N 2.92Å; V39-K41 VanDerWaalsContact C-N 3.34Å; V39-K41 PolarHBondContact O-N 2.89Å; V39-I42 PolarHBondContact O-N 3.48Å; V39-I43 HydrophobicContact CG1-CD1 3.96Å; V39-I43 HydrophobicContact CG1-CG1 4.47Å; V39-I43 WeakPolarHBondContact O-CG1 3.39Å; V39-I43 PolarHBondContact O-N 3.28Å
40	L	68.2	Low	68	Low	91 Å²	91	104.6 Å²	104.6	48%	0.476	55%	0.553	S	S	.	*	H	α-helix	trans	-65	-39.8	177.6	-161.2	72.7	0	0	0	111.3	N36 I43 C44	N36-L40 PolarHBondContact O-N 2.89Å; L40-I43 PolarHBondContact O-N 2.78Å; L40-C44 PolarHBondContact O-N 2.96Å
41	K	70.1	Confident	69.5	Low	139 Å²	139	98.3 Å²	98.3	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-60.3	-44.3	171.9	-79.4	177.6	179.1	174.2	0	112.2	D37 V39 C44 T45	D37-K41 WeakPolarHBondContact O-CG 3.34Å; D37-K41 PolarHBondContact O-N 3.45Å; D37-K41 VanDerWaalsContact O-N 3.11Å; V39-K41 VanDerWaalsContact C-N 3.34Å; V39-K41 PolarHBondContact O-N 2.89Å; K41-C44 PolarHBondContact O-N 3.34Å; K41-T45 WeakPolarHBondContact O-CG2 3.32Å; K41-T45 PolarHBondContact O-N 2.87Å; K41-T45 PolarHBondContact O-OG1 3.5Å
42	I	77.2	Confident	71.1	Confident	103 Å²	103	98.6 Å²	98.6	53%	0.528	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-41.2	178.1	-69.1	162.8	0	0	0	111.4	N38 V39 T45 T46	N38-I42 WeakPolarHBondContact O-CD1 3.31Å; N38-I42 WeakPolarHBondContact O-CG1 3.43Å; N38-I42 PolarHBondContact O-N 3.22Å; V39-I42 PolarHBondContact O-N 3.48Å; I42-T45 WeakPolarHBondContact CA-OG1 3.45Å; I42-T45 PolarHBondContact O-OG1 3.25Å; I42-T45 VanDerWaalsContact O-OG1 3.07Å; I42-T46 HydrophobicContact CG2-CG2 4.39Å; I42-T46 WeakPolarHBondContact O-CB 3.25Å; I42-T46 VanDerWaalsContact O-CG2 3.26Å; I42-T46 WeakPolarHBondContact O-CG2 3.49Å; I42-T46 PolarHBondContact O-N 2.9Å; I42-T46 PolarHBondContact O-OG1 3.49Å
43	I	77.8	Confident	72.6	Confident	82 Å²	82	94.7 Å²	94.7	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-66.1	-43.3	177.9	-67.1	168.6	0	0	0	110.8	L35 V39 L40 T46 T47	L35-I43 HydrophobicContact CD2-CD1 4.45Å; V39-I43 HydrophobicContact CG1-CD1 3.96Å; V39-I43 HydrophobicContact CG1-CG1 4.47Å; V39-I43 WeakPolarHBondContact O-CG1 3.39Å; V39-I43 PolarHBondContact O-N 3.28Å; L40-I43 PolarHBondContact O-N 2.78Å; I43-T46 WeakPolarHBondContact CA-OG1 3.4Å; I43-T46 PolarHBondContact O-OG1 3.28Å; I43-T47 PolarHBondContact O-N 3.03Å; I43-T47 PolarHBondContact O-OG1 2.68Å
44	C	75.6	Confident	74	Confident	66 Å²	66	93 Å²	93	45%	0.446	51%	0.508	S	S	.	.	H	α-helix	trans	-66.5	-41.8	177.3	-81.4	0	0	0	0	112.8	L40 K41 T47 I48	L40-C44 PolarHBondContact O-N 2.96Å; K41-C44 PolarHBondContact O-N 3.34Å; C44-T47 WeakPolarHBondContact CA-OG1 3.32Å; C44-T47 PolarHBondContact O-OG1 3.35Å; C44-I48 WeakPolarHBondContact O-CB 3.16Å; C44-I48 WeakPolarHBondContact O-CD1 3.34Å; C44-I48 VanDerWaalsContact O-CG1 3.22Å; C44-I48 WeakPolarHBondContact O-CG1 3.34Å; C44-I48 PolarHBondContact O-N 3.04Å
45	T	78.6	Confident	74.9	Confident	75 Å²	75	89.9 Å²	89.9	46%	0.46	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-41.3	178.1	52.4	0	0	0	0	111.4	K41 I42 I48 I49	K41-T45 WeakPolarHBondContact O-CG2 3.32Å; K41-T45 PolarHBondContact O-N 2.87Å; K41-T45 PolarHBondContact O-OG1 3.5Å; I42-T45 WeakPolarHBondContact CA-OG1 3.45Å; I42-T45 PolarHBondContact O-OG1 3.25Å; I42-T45 VanDerWaalsContact O-OG1 3.07Å; T45-I48 PolarHBondContact O-N 2.79Å; T45-I49 WeakPolarHBondContact O-CB 3.27Å; T45-I49 WeakPolarHBondContact O-CD1 3.24Å; T45-I49 WeakPolarHBondContact O-CG1 3.5Å; T45-I49 PolarHBondContact O-N 3.46Å
46	T	81.8	Confident	76	Confident	76 Å²	76	90.1 Å²	90.1	47%	0.466	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-40.4	177.4	50.9	0	0	0	0	112.6	I42 I43 I49 L50	I42-T46 HydrophobicContact CG2-CG2 4.39Å; I42-T46 WeakPolarHBondContact O-CB 3.25Å; I42-T46 VanDerWaalsContact O-CG2 3.26Å; I42-T46 WeakPolarHBondContact O-CG2 3.49Å; I42-T46 PolarHBondContact O-N 2.9Å; I42-T46 PolarHBondContact O-OG1 3.49Å; I43-T46 WeakPolarHBondContact CA-OG1 3.4Å; I43-T46 PolarHBondContact O-OG1 3.28Å; T46-I49 PolarHBondContact O-N 3.44Å; T46-L50 WeakPolarHBondContact O-CB 3.29Å; T46-L50 PolarHBondContact O-N 3.09Å
47	T	81.6	Confident	76.6	Confident	77 Å²	77	91.5 Å²	91.5	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-41.3	174.8	29.9	0	0	0	0	112.8	I43 C44 L50 V51	I43-T47 PolarHBondContact O-N 3.03Å; I43-T47 PolarHBondContact O-OG1 2.68Å; C44-T47 WeakPolarHBondContact CA-OG1 3.32Å; C44-T47 PolarHBondContact O-OG1 3.35Å; T47-L50 PolarHBondContact O-N 3.45Å; T47-V51 VanDerWaalsContact O-CG2 3.31Å; T47-V51 WeakPolarHBondContact O-CG2 3.33Å; T47-V51 PolarHBondContact O-N 2.97Å
48	I	82.2	Confident	76.8	Confident	100 Å²	100	90.5 Å²	90.5	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-44.3	175.7	-69.6	167.2	0	0	0	110.6	C44 T45 L50 V51 I52	C44-I48 WeakPolarHBondContact O-CB 3.16Å; C44-I48 WeakPolarHBondContact O-CD1 3.34Å; C44-I48 VanDerWaalsContact O-CG1 3.22Å; C44-I48 WeakPolarHBondContact O-CG1 3.34Å; C44-I48 PolarHBondContact O-N 3.04Å; T45-I48 PolarHBondContact O-N 2.79Å; I48-L50 VanDerWaalsContact C-N 3.33Å; I48-L50 PolarHBondContact O-N 2.75Å; I48-V51 PolarHBondContact O-N 3.11Å; I48-I52 HydrophobicContact CG2-CD1 3.71Å; I48-I52 HydrophobicContact CG2-CG1 4.37Å; I48-I52 WeakPolarHBondContact O-CB 3.15Å; I48-I52 VanDerWaalsContact O-CG1 3.25Å; I48-I52 WeakPolarHBondContact O-CG1 3.5Å; I48-I52 PolarHBondContact O-N 2.79Å
49	I	84.4	Confident	76.4	Confident	97 Å²	97	90.4 Å²	90.4	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-43.7	175.9	-69.4	164.9	0	0	0	110.4	T45 T46 V51 I52 I53	T45-I49 WeakPolarHBondContact O-CB 3.27Å; T45-I49 WeakPolarHBondContact O-CD1 3.24Å; T45-I49 WeakPolarHBondContact O-CG1 3.5Å; T45-I49 PolarHBondContact O-N 3.46Å; T46-I49 PolarHBondContact O-N 3.44Å; I49-V51 PolarHBondContact O-N 3.31Å; I49-I52 PolarHBondContact O-N 2.9Å; I49-I53 HydrophobicContact CG2-CD1 3.7Å; I49-I53 HydrophobicContact CG2-CG1 4.36Å; I49-I53 WeakPolarHBondContact O-CB 3.4Å; I49-I53 VanDerWaalsContact O-CG1 3.24Å; I49-I53 WeakPolarHBondContact O-CG1 3.45Å; I49-I53 PolarHBondContact O-N 3.32Å
50	L	83.7	Confident	75.6	Confident	116 Å²	116	95.4 Å²	95.4	61%	0.607	50%	0.5	S	S	*	.	H	α-helix	trans	-63	-43.2	178.5	-140.8	104.5	0	0	0	111.8	T46 T47 I48 I53 V54	T46-L50 WeakPolarHBondContact O-CB 3.29Å; T46-L50 PolarHBondContact O-N 3.09Å; T47-L50 PolarHBondContact O-N 3.45Å; I48-L50 VanDerWaalsContact C-N 3.33Å; I48-L50 PolarHBondContact O-N 2.75Å; L50-I53 PolarHBondContact O-N 3.48Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 3.21Å
51	V	82.7	Confident	74.7	Confident	86 Å²	86	95.1 Å²	95.1	52%	0.521	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-41.6	176.2	172.1	0	0	0	0	110.9	T47 I48 I49 I53 V54 M55	T47-V51 VanDerWaalsContact O-CG2 3.31Å; T47-V51 WeakPolarHBondContact O-CG2 3.33Å; T47-V51 PolarHBondContact O-N 2.97Å; I48-V51 PolarHBondContact O-N 3.11Å; I49-V51 PolarHBondContact O-N 3.31Å; V51-I53 VanDerWaalsContact C-N 3.35Å; V51-I53 PolarHBondContact O-N 3.39Å; V51-V54 PolarHBondContact O-N 3.45Å; V51-M55 HydrophobicContact CG1-CG 4.14Å; V51-M55 VanDerWaalsContact O-CB 3.26Å; V51-M55 WeakPolarHBondContact O-CB 3.21Å; V51-M55 WeakPolarHBondContact O-CG 3.26Å; V51-M55 PolarHBondContact O-N 2.88Å
52	I	82.1	Confident	73.4	Confident	95 Å²	95	91 Å²	91	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-40.9	175.3	-68.5	167.7	0	0	0	110.7	I48 I49 M55 T56	I48-I52 HydrophobicContact CG2-CD1 3.71Å; I48-I52 HydrophobicContact CG2-CG1 4.37Å; I48-I52 WeakPolarHBondContact O-CB 3.15Å; I48-I52 VanDerWaalsContact O-CG1 3.25Å; I48-I52 WeakPolarHBondContact O-CG1 3.5Å; I48-I52 PolarHBondContact O-N 2.79Å; I49-I52 PolarHBondContact O-N 2.9Å; I52-M55 PolarHBondContact O-N 3.46Å; I52-T56 HydrophobicContact CG2-CG2 4.35Å; I52-T56 WeakPolarHBondContact O-CB 3.36Å; I52-T56 WeakPolarHBondContact O-CG2 3.34Å; I52-T56 PolarHBondContact O-N 3.14Å; I52-T56 PolarHBondContact O-OG1 2.92Å
53	I	81.8	Confident	71.3	Confident	83 Å²	83	89.8 Å²	89.8	43%	0.426	50%	0.504	S	S	.	.	H	α-helix	trans	-64.7	-43.3	176.2	-69.5	166.7	0	0	0	111	I49 L50 V51 T56 K57	I49-I53 HydrophobicContact CG2-CD1 3.7Å; I49-I53 HydrophobicContact CG2-CG1 4.36Å; I49-I53 WeakPolarHBondContact O-CB 3.4Å; I49-I53 VanDerWaalsContact O-CG1 3.24Å; I49-I53 WeakPolarHBondContact O-CG1 3.45Å; I49-I53 PolarHBondContact O-N 3.32Å; L50-I53 PolarHBondContact O-N 3.48Å; V51-I53 VanDerWaalsContact C-N 3.35Å; V51-I53 PolarHBondContact O-N 3.39Å; I53-T56 WeakPolarHBondContact CA-OG1 3.26Å; I53-T56 PolarHBondContact O-OG1 2.96Å; I53-T56 VanDerWaalsContact O-OG1 3.04Å; I53-K57 WeakPolarHBondContact O-CB 3.36Å; I53-K57 WeakPolarHBondContact O-CG 3.42Å; I53-K57 PolarHBondContact O-N 3.13Å
54	V	78	Confident	69.3	Low	73 Å²	73	96.1 Å²	96.1	44%	0.442	52%	0.524	S	S	.	.	H	α-helix	trans	-66.7	-43.7	177.2	171.9	0	0	0	0	110.6	L50 V51 K57 L58	L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 3.21Å; V51-V54 PolarHBondContact O-N 3.45Å; V54-K57 PolarHBondContact O-N 3.28Å; V54-L58 HydrophobicContact CG1-CD1 3.77Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.37Å; V54-L58 VanDerWaalsContact O-CG 3.26Å; V54-L58 WeakPolarHBondContact O-CG 3.26Å; V54-L58 PolarHBondContact O-N 2.8Å
55	M	75.2	Confident	67.1	Low	55 Å²	55	99 Å²	99	27%	0.271	53%	0.53	S	S	.	.	H	α-helix	trans	-66.4	-39	177.2	-73.8	-66	-75.7	0	0	112.2	L11 V51 I52 L58 L59	L11-M55 HydrophobicContact CD1-CE 3.64Å; L11-M55 HydrophobicContact CD1-SD 4.07Å; L11-M55 HydrophobicContact CD2-CE 4.27Å; L11-M55 HydrophobicContact CD2-SD 4.23Å; V51-M55 HydrophobicContact CG1-CG 4.14Å; V51-M55 VanDerWaalsContact O-CB 3.26Å; V51-M55 WeakPolarHBondContact O-CB 3.21Å; V51-M55 WeakPolarHBondContact O-CG 3.26Å; V51-M55 PolarHBondContact O-N 2.88Å; I52-M55 PolarHBondContact O-N 3.46Å; M55-L58 PolarHBondContact O-N 3.2Å; M55-L58 HydrophobicContact SD-CD1 4.45Å; M55-L59 VanDerWaalsContact O-CB 3.23Å; M55-L59 WeakPolarHBondContact O-CB 3.44Å; M55-L59 WeakPolarHBondContact O-CD1 3.43Å; M55-L59 WeakPolarHBondContact O-CG 3.29Å; M55-L59 PolarHBondContact O-N 3.42Å
56	T	74.5	Confident	65	Low	66 Å²	66	102.3 Å²	102.3	41%	0.405	55%	0.55	S	S	.	*	H	α-helix	trans	-70.1	-34.4	174.4	46.1	0	0	0	0	112	I52 I53 K60	I52-T56 HydrophobicContact CG2-CG2 4.35Å; I52-T56 WeakPolarHBondContact O-CB 3.36Å; I52-T56 WeakPolarHBondContact O-CG2 3.34Å; I52-T56 PolarHBondContact O-N 3.14Å; I52-T56 PolarHBondContact O-OG1 2.92Å; I53-T56 WeakPolarHBondContact CA-OG1 3.26Å; I53-T56 PolarHBondContact O-OG1 2.96Å; I53-T56 VanDerWaalsContact O-OG1 3.04Å; T56-K60 VanDerWaalsContact O-CB 3.26Å; T56-K60 WeakPolarHBondContact O-CB 3.22Å; T56-K60 WeakPolarHBondContact O-CG 3.23Å; T56-K60 PolarHBondContact O-N 3.29Å
57	K	69.8	Low	62.8	Low	151 Å²	151	106.3 Å²	106.3	66%	0.657	56%	0.558	S	S	*	*	H	α-helix	trans	-65.8	-40.4	168.8	-81.5	-172	175.4	-174.6	0	112.2	I53 V54 K60 S61	I53-K57 WeakPolarHBondContact O-CB 3.36Å; I53-K57 WeakPolarHBondContact O-CG 3.42Å; I53-K57 PolarHBondContact O-N 3.13Å; V54-K57 PolarHBondContact O-N 3.28Å; K57-K60 CarbonylContact O-C 3.59Å; K57-K60 PolarHBondContact O-N 3.34Å; K57-S61 WeakPolarHBondContact O-CB 3.39Å; K57-S61 PolarHBondContact O-N 3.22Å; K57-S61 PolarHBondContact O-OG 3Å
58	L	65.9	Low	60.9	Low	100 Å²	100	105.8 Å²	105.8	52%	0.524	56%	0.557	S	S	.	*	H	α-helix	trans	-69.7	-37.8	177.1	-75	168.2	0	0	0	112.3	V54 M55 S61 G62	V54-L58 HydrophobicContact CG1-CD1 3.77Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.37Å; V54-L58 VanDerWaalsContact O-CG 3.26Å; V54-L58 WeakPolarHBondContact O-CG 3.26Å; V54-L58 PolarHBondContact O-N 2.8Å; M55-L58 PolarHBondContact O-N 3.2Å; M55-L58 HydrophobicContact SD-CD1 4.45Å; L58-S61 VanDerWaalsContact CA-OG 3.29Å; L58-S61 WeakPolarHBondContact CA-OG 3.42Å; L58-S61 CarbonylContact O-C 3.58Å; L58-S61 PolarHBondContact O-N 3.18Å; L58-S61 PolarHBondContact O-OG 3.37Å; L58-G62 PolarHBondContact O-N 3.19Å
59	L	61.4	Low	59.4	Low	105 Å²	105	105.7 Å²	105.7	55%	0.55	56%	0.561	S	S	.	*	H	α-helix	trans	-69.3	-37.4	173.7	-76.5	162.6	0	0	0	111.2	M55 G62 S63	M55-L59 VanDerWaalsContact O-CB 3.23Å; M55-L59 WeakPolarHBondContact O-CB 3.44Å; M55-L59 WeakPolarHBondContact O-CD1 3.43Å; M55-L59 WeakPolarHBondContact O-CG 3.29Å; M55-L59 PolarHBondContact O-N 3.42Å; L59-G62 PolarHBondContact O-N 3.41Å; L59-S63 PolarHBondContact O-N 3.4Å
60	K	54.8	Low	58.3	Low	168 Å²	168	105.3 Å²	105.3	73%	0.73	56%	0.561	S	S	*	*	H	α-helix	trans	-72.1	-26.9	171.3	-79.5	-175	172.7	-173.8	0	113.3	T56 K57 G62 S63	T56-K60 VanDerWaalsContact O-CB 3.26Å; T56-K60 WeakPolarHBondContact O-CB 3.22Å; T56-K60 WeakPolarHBondContact O-CG 3.23Å; T56-K60 PolarHBondContact O-N 3.29Å; K57-K60 CarbonylContact O-C 3.59Å; K57-K60 PolarHBondContact O-N 3.34Å; K60-G62 VanDerWaalsContact C-N 3.28Å; K60-S63 PolarHBondContact O-OG 3.38Å
61	S	50.6	Low	57.4	Low	85 Å²	85	103.5 Å²	103.5	59%	0.594	55%	0.549	S	S	*	.	H	α-helix	trans	-80.7	-11.1	169.8	67.8	0	0	0	0	112.8	K57 L58	K57-S61 WeakPolarHBondContact O-CB 3.39Å; K57-S61 PolarHBondContact O-N 3.22Å; K57-S61 PolarHBondContact O-OG 3Å; L58-S61 VanDerWaalsContact CA-OG 3.29Å; L58-S61 WeakPolarHBondContact CA-OG 3.42Å; L58-S61 CarbonylContact O-C 3.58Å; L58-S61 PolarHBondContact O-N 3.18Å; L58-S61 PolarHBondContact O-OG 3.37Å
62	G	41.4	Very low	56.7	Low	53 Å²	53	100.5 Å²	100.5	55%	0.546	53%	0.528	S	S	.	.	H	α-helix	trans	-98.3	-8.2	177.1	0	0	0	0	0	114.5	L58 L59 K60 Y64	L58-G62 PolarHBondContact O-N 3.19Å; L59-G62 PolarHBondContact O-N 3.41Å; K60-G62 VanDerWaalsContact C-N 3.28Å; G62-Y64 PolarHBondContact O-N 3.45Å
63	S	33.6	Very low	56.5	Low	77 Å²	77	98 Å²	98	54%	0.538	51%	0.514	S	S	.	.			trans	-78.2	92	160	52.9	0	0	0	0	107.8	L59 K60 E65	L59-S63 PolarHBondContact O-N 3.4Å; K60-S63 PolarHBondContact O-OG 3.38Å; S63-E65 PolarHBondContact O-N 2.84Å
64	Y	34.7	Very low	56.7	Low	215 Å²	215	94 Å²	94	84%	0.843	49%	0.494	S	S	*	.			trans	-58.9	94.5	156.3	-83.9	-91.4	0	0	0	106.7	G62 V66	G62-Y64 PolarHBondContact O-N 3.45Å; Y64-V66 PolarHBondContact O-N 3.1Å; Y64-V66 VanDerWaalsContact O-N 3.1Å
65	E	31	Very low	57.2	Low	126 Å²	126	90.6 Å²	90.6	59%	0.589	47%	0.473	S	S	*	.			trans	-53.2	117.4	152.9	-84	-178.7	151.3	0	0	105.6	S63 Y67	S63-E65 PolarHBondContact O-N 2.84Å; E65-Y67 HydrophobicContact CB-CD2 3.67Å; E65-Y67 HydrophobicContact CB-CE2 3.75Å; E65-Y67 PolarHBondContact O-N 2.69Å; E65-Y67 WeakPolarHBondContact OE2-CE2 3.03Å; E65-Y67 PolarHBondContact OE2-OH 2.71Å
66	V	33.1	Very low	57.9	Low	144 Å²	144	90.2 Å²	90.2	87%	0.873	47%	0.472	S	S	*	.			trans	-64.7	80.7	166.7	178.4	0	0	0	0	105.5	Y64 S68	Y64-V66 PolarHBondContact O-N 3.1Å; Y64-V66 VanDerWaalsContact O-N 3.1Å; V66-S68 PolarHBondContact O-N 3.24Å
67	Y	36	Very low	58.5	Low	161 Å²	161	90.3 Å²	90.3	63%	0.631	48%	0.475	S	S	*	.			trans	-66	104.4	173.8	-95.9	-80.8	0	0	0	107.2	E65	E65-Y67 HydrophobicContact CB-CD2 3.67Å; E65-Y67 HydrophobicContact CB-CE2 3.75Å; E65-Y67 PolarHBondContact O-N 2.69Å; E65-Y67 WeakPolarHBondContact OE2-CE2 3.03Å; E65-Y67 PolarHBondContact OE2-OH 2.71Å
68	S	41.8	Very low	59.4	Low	65 Å²	65	89.9 Å²	89.9	46%	0.455	48%	0.476	S	S	.	.			trans	40.7	123.1	144.3	179.8	0	0	0	0	116.9	V66 N70	V66-S68 PolarHBondContact O-N 3.24Å; S68-N70 PolarHBondContact O-N 2.98Å
69	T	51	Low	60.6	Low	98 Å²	98	85.3 Å²	85.3	60%	0.601	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.3	-9.5	173.9	37.2	0	0	0	0	118	R426	T69-R426 PolarHBondContact O-NH1 2.84Å
70	N	60.8	Low	62.1	Low	90 Å²	90	81.1 Å²	81.1	48%	0.481	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11	-169	-71.8	5.3	0	0	0	116.5	S68 Y72 Q73	S68-N70 PolarHBondContact O-N 2.98Å; N70-Y72 VanDerWaalsContact C-N 3.26Å; N70-Y72 PolarHBondContact O-N 3.43Å; N70-Y72 VanDerWaalsContact O-N 3.15Å; N70-Q73 PolarHBondContact O-N 3.39Å; N70-Q73 PolarHBondContact OD1-OE1 3.27Å; N70-Q73 VanDerWaalsContact OD1-OE1 3.13Å
71	Q	66.1	Low	63.9	Low	77 Å²	77	79.7 Å²	79.7	36%	0.36	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.7	-170.5	-71.9	-166.2	3.3	0	0	115.7	R111	Q71-R111 PolarHBondContact O-NH1 3.01Å
72	Y	67.7	Low	66	Low	24 Å²	24	77.6 Å²	77.6	9%	0.094	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	4.9	-177.1	-51.3	-98.1	0	0	0	112.6	N70 N74 E127 R426	N70-Y72 VanDerWaalsContact C-N 3.26Å; N70-Y72 PolarHBondContact O-N 3.43Å; N70-Y72 VanDerWaalsContact O-N 3.15Å; Y72-N74 PolarHBondContact O-N 3.17Å; Y72-E127 HydrophobicContact CE1-CG 3.5Å; Y72-E127 VanDerWaalsContact CE1-CG 3.5Å; Y72-E127 WeakPolarHBondContact CE1-OE1 3.45Å; Y72-E127 WeakPolarHBondContact OH-CG 3.17Å; Y72-E127 PolarHBondContact OH-OE1 3.46Å; Y72-R426 HydrophobicContact CD1-CB 3.86Å; Y72-R426 HydrophobicContact CD1-CG 4.28Å; Y72-R426 HydrophobicContact CD2-CB 4.43Å; Y72-R426 HydrophobicContact CD2-CG 4.03Å; Y72-R426 HydrophobicContact CE1-CB 3.72Å; Y72-R426 HydrophobicContact CE1-CG 3.94Å; Y72-R426 HydrophobicContact CE2-CB 4.36Å; Y72-R426 VanDerWaalsContact CE2-CD 3.46Å; Y72-R426 HydrophobicContact CE2-CG 3.72Å; Y72-R426 HydrophobicContact CG-CB 4.18Å; Y72-R426 HydrophobicContact CG-CG 4.28Å
73	Q	78.3	Confident	68.6	Low	41 Å²	41	75.1 Å²	75.1	19%	0.192	38%	0.384	C	S	.	.			trans	-78	103.9	175	-64.8	-173.1	-35.7	0	0	107.6	N70 I80 L125	N70-Q73 PolarHBondContact O-N 3.39Å; N70-Q73 PolarHBondContact OD1-OE1 3.27Å; N70-Q73 VanDerWaalsContact OD1-OE1 3.13Å; Q73-I80 HydrophobicContact CB-CD1 3.86Å; Q73-I80 HydrophobicContact CG-CD1 3.56Å; Q73-L125 WeakPolarHBondContact O-CD2 3.48Å
74	N	85	Confident	71.6	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.005	37%	0.371	C	S	.	.	S	Bend	trans	-80.8	-9.8	169.6	67.3	-32.8	0	0	0	111.8	Y72 R109 Y110 L125 D415 E418 Y419 L422	Y72-N74 PolarHBondContact O-N 3.17Å; N74-R109 CarbonylContact O-C 3.46Å; N74-R109 WeakPolarHBondContact O-CA 3.08Å; N74-Y110 PolarHBondContact O-N 3.18Å; N74-L125 HydrophobicContact CB-CD1 3.83Å; N74-L125 HydrophobicContact CB-CD2 4.26Å; N74-D415 PolarHBondContact ND2-O 3.49Å; N74-D415 VanDerWaalsContact ND2-O 3.15Å; N74-E418 PolarHBondContact ND2-OE2 3.01Å; N74-E418 VanDerWaalsContact ND2-OE2 3.12Å; N74-Y419 WeakPolarHBondContact OD1-CB 3.36Å; N74-L422 HydrophobicContact CB-CD1 4.07Å
75	M	89.5	Confident	74.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-138.1	169.6	178.3	-53.3	170.3	-63.5	0	0	112.9	I80 C83 D108 R109 Y110 F412 D415 Y419	M75-I80 HydrophobicContact CB-CG1 4.49Å; M75-I80 HydrophobicContact CE-CG1 4.11Å; M75-C83 HydrophobicContact CE-CB 4.31Å; M75-C83 WeakPolarHBondContact CE-SG 3.42Å; M75-D108 CarbonylContact C-O 3.52Å; M75-D108 WeakPolarHBondContact CA-O 3.44Å; M75-R109 HydrophobicContact CG-CG 4.22Å; M75-Y110 WeakPolarHBondContact O-CE2 3.48Å; M75-F412 HydrophobicContact SD-CE2 4.21Å; M75-D415 HydrophobicContact CG-CB 4.33Å; M75-D415 HydrophobicContact SD-CB 3.49Å; M75-D415 WeakPolarHBondContact SD-CB 3.36Å; M75-Y419 HydrophobicContact CE-CG 4.31Å
76	I	88.6	Confident	77.7	Confident	48 Å²	48	61.7 Å²	61.7	25%	0.246	33%	0.329	C	S	.	.			trans	-61.1	156.5	169.3	64.3	174	0	0	0	112.4	E78 S79 I80 D108 Y110	I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 HydrophobicContact CD1-CB 4.43Å; I76-E78 PolarHBondContact O-N 3.31Å; I76-S79 WeakPolarHBondContact CG1-OG 3.49Å; I76-S79 WeakPolarHBondContact O-CB 3.27Å; I76-S79 PolarHBondContact O-N 3.36Å; I76-I80 PolarHBondContact O-N 3.04Å; I76-I80 VanDerWaalsContact O-N 3.1Å; I76-D108 HydrophobicContact CD1-CB 4.5Å; I76-D108 HydrophobicContact CG1-CB 4.18Å; I76-D108 PolarHBondContact N-O 3.36Å; I76-Y110 HydrophobicContact CG2-CE2 4.12Å
77	S	87.3	Confident	80.8	Confident	67 Å²	67	55.2 Å²	55.2	47%	0.469	29%	0.289	S	S	.	.	H	α-helix	trans	-57.3	-40.5	-175.5	-56.5	0	0	0	0	113.9	S79 I80 E81	S77-S79 PolarHBondContact O-N 3.43Å; S77-I80 WeakPolarHBondContact O-CB 3.27Å; S77-I80 PolarHBondContact O-N 3.18Å; S77-I80 VanDerWaalsContact O-N 3.12Å; S77-E81 PolarHBondContact O-N 2.8Å
78	E	87.8	Confident	83.7	Confident	143 Å²	143	54.5 Å²	54.5	67%	0.668	29%	0.289	S	S	*	.	H	α-helix	trans	-61.2	-42.5	178.7	-175.9	178.3	-177	0	0	112.1	I76 I80 E81 T82	I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 HydrophobicContact CD1-CB 4.43Å; I76-E78 PolarHBondContact O-N 3.31Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 2.86Å; E78-E81 PolarHBondContact O-N 3.05Å; E78-T82 PolarHBondContact O-N 3.29Å; E78-T82 VanDerWaalsContact O-N 3.1Å; E78-T82 PolarHBondContact O-OG1 2.83Å
79	S	92.1	Very high	86.3	Confident	4 Å²	4	56 Å²	56	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-38.8	174	-56.9	0	0	0	0	111.7	I76 S77 T82 C83 F412	I76-S79 WeakPolarHBondContact CG1-OG 3.49Å; I76-S79 WeakPolarHBondContact O-CB 3.27Å; I76-S79 PolarHBondContact O-N 3.36Å; S77-S79 PolarHBondContact O-N 3.43Å; S79-T82 PolarHBondContact O-N 3.29Å; S79-C83 WeakPolarHBondContact O-CB 3.44Å; S79-C83 PolarHBondContact O-N 3.45Å; S79-C83 PolarHBondContact O-SG 3.31Å; S79-F412 WeakPolarHBondContact O-CZ 3.07Å
80	I	92.6	Very high	88.5	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.082	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-47.5	177.4	-71.6	171.3	0	0	0	111.1	Q73 M75 I76 S77 E78 T82 C83 E84 Y419	Q73-I80 HydrophobicContact CB-CD1 3.86Å; Q73-I80 HydrophobicContact CG-CD1 3.56Å; M75-I80 HydrophobicContact CB-CG1 4.49Å; M75-I80 HydrophobicContact CE-CG1 4.11Å; I76-I80 PolarHBondContact O-N 3.04Å; I76-I80 VanDerWaalsContact O-N 3.1Å; S77-I80 WeakPolarHBondContact O-CB 3.27Å; S77-I80 PolarHBondContact O-N 3.18Å; S77-I80 VanDerWaalsContact O-N 3.12Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 2.86Å; I80-T82 VanDerWaalsContact C-N 3.26Å; I80-T82 PolarHBondContact O-N 3.25Å; I80-C83 WeakPolarHBondContact O-CB 3.46Å; I80-C83 PolarHBondContact O-N 2.95Å; I80-C83 VanDerWaalsContact O-N 3.13Å; I80-E84 HydrophobicContact CG2-CG 4.44Å; I80-E84 WeakPolarHBondContact O-CG 3.42Å; I80-E84 PolarHBondContact O-N 3.24Å; I80-Y419 HydrophobicContact CB-CE2 4.5Å; I80-Y419 HydrophobicContact CD1-CD2 4.43Å; I80-Y419 HydrophobicContact CD1-CE2 4.11Å; I80-Y419 HydrophobicContact CG1-CD2 4.13Å; I80-Y419 HydrophobicContact CG1-CE2 4Å; I80-Y419 HydrophobicContact CG2-CE1 4.13Å; I80-Y419 HydrophobicContact CG2-CE2 3.79Å; I80-Y419 WeakPolarHBondContact CG2-OH 3.41Å
81	E	93.8	Very high	90.1	Very high	139 Å²	139	51.1 Å²	51.1	65%	0.65	27%	0.266	S	S	*	.	H	α-helix	trans	-58.2	-42.3	177.3	-71.2	174.7	-167.1	0	0	111.2	S77 E78 E84 A85	S77-E81 PolarHBondContact O-N 2.8Å; E78-E81 PolarHBondContact O-N 3.05Å; E81-E84 PolarHBondContact O-N 3.49Å; E81-A85 PolarHBondContact O-N 3.49Å; E81-A85 VanDerWaalsContact O-N 3.12Å
82	T	94.8	Very high	91.4	Very high	41 Å²	41	53.3 Å²	53.3	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-42.3	175.6	-55.9	0	0	0	0	111.9	E78 S79 I80 A85 F86 F100 F412	E78-T82 PolarHBondContact O-N 3.29Å; E78-T82 VanDerWaalsContact O-N 3.1Å; E78-T82 PolarHBondContact O-OG1 2.83Å; S79-T82 PolarHBondContact O-N 3.29Å; I80-T82 VanDerWaalsContact C-N 3.26Å; I80-T82 PolarHBondContact O-N 3.25Å; T82-A85 WeakPolarHBondContact O-CB 3.32Å; T82-A85 PolarHBondContact O-N 2.97Å; T82-F86 HydrophobicContact CG2-CD2 4.11Å; T82-F86 HydrophobicContact CG2-CE1 4.12Å; T82-F86 HydrophobicContact CG2-CE2 3.53Å; T82-F86 HydrophobicContact CG2-CZ 3.54Å; T82-F86 WeakPolarHBondContact O-CG 3.33Å; T82-F86 PolarHBondContact O-N 2.9Å; T82-F100 HydrophobicContact CG2-CE2 4.42Å; T82-F100 HydrophobicContact CG2-CZ 3.92Å; T82-F412 HydrophobicContact CG2-CE1 3.72Å; T82-F412 HydrophobicContact CG2-CZ 3.94Å
83	C	95.8	Very high	92.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-43.6	175.6	-74.8	0	0	0	0	112.5	M75 S79 I80 A85 F86 L87 C416 Y419	M75-C83 HydrophobicContact CE-CB 4.31Å; M75-C83 WeakPolarHBondContact CE-SG 3.42Å; S79-C83 WeakPolarHBondContact O-CB 3.44Å; S79-C83 PolarHBondContact O-N 3.45Å; S79-C83 PolarHBondContact O-SG 3.31Å; I80-C83 WeakPolarHBondContact O-CB 3.46Å; I80-C83 PolarHBondContact O-N 2.95Å; I80-C83 VanDerWaalsContact O-N 3.13Å; C83-A85 VanDerWaalsContact C-N 3.27Å; C83-A85 PolarHBondContact O-N 2.84Å; C83-F86 PolarHBondContact O-N 3.37Å; C83-L87 WeakPolarHBondContact O-CB 3.46Å; C83-L87 WeakPolarHBondContact O-CD1 3.49Å; C83-L87 WeakPolarHBondContact O-CG 3.42Å; C83-L87 PolarHBondContact O-N 3.37Å; C83-C416 WeakPolarHBondContact CA-SG 3.26Å; C83-C416 HydrophobicContact CB-CB 3.66Å; C83-C416 WeakPolarHBondContact CB-SG 3.42Å; C83-C416 WeakPolarHBondContact SG-CA 3.42Å; C83-C416 WeakPolarHBondContact SG-CB 3.32Å; C83-C416 CovalentContact SG-SG 2.03Å; C83-C416 PolarHBondContact SG-SG 3.11Å; C83-Y419 HydrophobicContact CB-CD1 4.19Å
84	E	96.3	Very high	93.2	Very high	60 Å²	60	57.7 Å²	57.7	28%	0.28	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-41.2	176	-68.1	-74.8	179.3	0	0	111.1	I80 E81 L87 K88 Y419 K423	I80-E84 HydrophobicContact CG2-CG 4.44Å; I80-E84 WeakPolarHBondContact O-CG 3.42Å; I80-E84 PolarHBondContact O-N 3.24Å; E81-E84 PolarHBondContact O-N 3.49Å; E84-L87 PolarHBondContact O-N 3.28Å; E84-K88 VanDerWaalsContact O-CB 3.27Å; E84-K88 WeakPolarHBondContact O-CB 3.42Å; E84-K88 PolarHBondContact O-N 3.49Å; E84-Y419 HydrophobicContact CG-CE1 4.1Å; E84-Y419 WeakPolarHBondContact OE1-CE1 3.41Å; E84-Y419 VanDerWaalsContact OE1-CZ 3.27Å; E84-Y419 PolarHBondContact OE1-OH 2.91Å; E84-K423 WeakPolarHBondContact OE1-CD 3.11Å; E84-K423 IonicContact OE1-NZ 3.76Å; E84-K423 PolarHBondContact OE1-NZ 3.42Å; E84-K423 IonicContact OE2-NZ 3.92Å; E84-K423 PolarHBondContact OE2-NZ 2.98Å
85	A	97	Very high	93.7	Very high	52 Å²	52	61.8 Å²	61.8	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-46.7	175.2	0	0	0	0	0	111.9	E81 T82 C83 L87 K88 D89	E81-A85 PolarHBondContact O-N 3.49Å; E81-A85 VanDerWaalsContact O-N 3.12Å; T82-A85 WeakPolarHBondContact O-CB 3.32Å; T82-A85 PolarHBondContact O-N 2.97Å; C83-A85 VanDerWaalsContact C-N 3.27Å; C83-A85 PolarHBondContact O-N 2.84Å; A85-L87 PolarHBondContact O-N 3.34Å; A85-K88 PolarHBondContact O-N 3.02Å; A85-D89 PolarHBondContact O-N 3.32Å
86	F	97.2	Very high	93.9	Very high	24 Å²	24	63.7 Å²	63.7	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-73.5	-25.2	-178.8	-63	-12.8	0	0	0	114.3	T82 C83 V91 T96 F100 I388 L391 H392 F412	T82-F86 HydrophobicContact CG2-CD2 4.11Å; T82-F86 HydrophobicContact CG2-CE1 4.12Å; T82-F86 HydrophobicContact CG2-CE2 3.53Å; T82-F86 HydrophobicContact CG2-CZ 3.54Å; T82-F86 WeakPolarHBondContact O-CG 3.33Å; T82-F86 PolarHBondContact O-N 2.9Å; C83-F86 PolarHBondContact O-N 3.37Å; F86-V91 HydrophobicContact CB-CG2 4Å; F86-V91 HydrophobicContact CD1-CG2 3.33Å; F86-V91 HydrophobicContact CD2-CG2 4.19Å; F86-V91 HydrophobicContact CE1-CG2 3.76Å; F86-V91 HydrophobicContact CG-CG2 3.58Å; F86-V91 HydrophobicContact CZ-CG2 4.34Å; F86-T96 HydrophobicContact CE1-CG2 4.12Å; F86-T96 HydrophobicContact CZ-CG2 3.65Å; F86-F100 HydrophobicContact CE2-CD2 4.02Å; F86-F100 AromaticContact CE2-CE2 3.82Å; F86-F100 HydrophobicContact CE2-CE2 3.82Å; F86-F100 HydrophobicContact CE2-CZ 4.13Å; F86-F100 HydrophobicContact CZ-CD2 4.11Å; F86-F100 AromaticContact CZ-CE2 3.73Å; F86-F100 HydrophobicContact CZ-CE2 3.73Å; F86-F100 HydrophobicContact CZ-CZ 4.33Å; F86-I388 HydrophobicContact CD2-CB 4.06Å; F86-I388 HydrophobicContact CD2-CD1 4.27Å; F86-I388 HydrophobicContact CD2-CG2 4.25Å; F86-I388 HydrophobicContact CE2-CB 4.29Å; F86-I388 HydrophobicContact CE2-CD1 3.73Å; F86-I388 HydrophobicContact CE2-CG2 4.35Å; F86-I388 HydrophobicContact CZ-CD1 4.09Å; F86-L391 HydrophobicContact CB-CB 4.28Å; F86-L391 HydrophobicContact CB-CD1 3.57Å; F86-L391 HydrophobicContact CD2-CD1 4.06Å; F86-L391 HydrophobicContact CG-CD1 4.33Å; F86-L391 WeakPolarHBondContact O-CB 3.43Å; F86-H392 PolarHBondContact O-N 3.35Å; F86-H392 VanDerWaalsContact O-N 3.16Å; F86-F412 HydrophobicContact CD2-CD1 4.24Å; F86-F412 AromaticContact CD2-CE1 3.98Å; F86-F412 HydrophobicContact CD2-CE1 3.98Å; F86-F412 HydrophobicContact CE2-CD1 4.09Å; F86-F412 AromaticContact CE2-CE1 3.86Å; F86-F412 HydrophobicContact CE2-CE1 3.86Å
87	L	97.1	Very high	94.1	Very high	9 Å²	9	62 Å²	62	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-75.2	-32.2	171.5	-71.7	163.4	0	0	0	111.1	C83 E84 A85 L391 H392 T395 Y419 W420	C83-L87 WeakPolarHBondContact O-CB 3.46Å; C83-L87 WeakPolarHBondContact O-CD1 3.49Å; C83-L87 WeakPolarHBondContact O-CG 3.42Å; C83-L87 PolarHBondContact O-N 3.37Å; E84-L87 PolarHBondContact O-N 3.28Å; A85-L87 PolarHBondContact O-N 3.34Å; L87-L391 HydrophobicContact CD2-CB 4.26Å; L87-L391 HydrophobicContact CD2-CD2 4.24Å; L87-H392 WeakPolarHBondContact O-CA 3.45Å; L87-H392 PolarHBondContact O-ND1 2.98Å; L87-T395 HydrophobicContact CB-CG2 4.18Å; L87-T395 HydrophobicContact CD2-CG2 3.8Å; L87-Y419 HydrophobicContact CD1-CD1 4.34Å; L87-W420 HydrophobicContact CD1-CB 3.84Å; L87-W420 HydrophobicContact CD1-CG 4.15Å; L87-W420 HydrophobicContact CD2-CB 4.12Å; L87-W420 HydrophobicContact CD2-CG 4.08Å
88	K	97.2	Very high	94.4	Very high	146 Å²	146	66.4 Å²	66.4	64%	0.635	36%	0.358	S	S	*	.	H	α-helix	trans	-77.9	-40.6	-179.6	-173.3	-173.7	172.6	-168.9	0	113.1	E84 A85 H392	E84-K88 VanDerWaalsContact O-CB 3.27Å; E84-K88 WeakPolarHBondContact O-CB 3.42Å; E84-K88 PolarHBondContact O-N 3.49Å; A85-K88 PolarHBondContact O-N 3.02Å; K88-H392 VanDerWaalsContact C-ND1 3.32Å; K88-H392 PolarHBondContact O-CE1 3.31Å; K88-H392 PolarHBondContact O-ND1 3.15Å
89	D	97.1	Very high	94.7	Very high	95 Å²	95	64.9 Å²	64.9	51%	0.508	35%	0.351	S	S	.	.	S	Bend	trans	-136.6	143.8	-173.1	-65.9	-64.5	0	0	0	111.6	A85 V91	A85-D89 PolarHBondContact O-N 3.32Å; D89-V91 PolarHBondContact O-N 3.47Å
90	T	95.7	Very high	94.9	Very high	68 Å²	68	65.7 Å²	65.7	42%	0.417	35%	0.354	S	S	.	.			trans	-64.3	129.9	179.3	-59.5	0	0	0	0	111.4	T92 H392	T90-T92 PolarHBondContact O-N 3.09Å; T90-H392 PolarHBondContact OG1-CD2 2.97Å
91	V	95.4	Very high	94.9	Very high	19 Å²	19	68.3 Å²	68.3	12%	0.115	37%	0.366	C	S	.	.			trans	-73.2	110.2	175.7	-174.8	0	0	0	0	110.6	F86 D89 T96 I388	F86-V91 HydrophobicContact CB-CG2 4Å; F86-V91 HydrophobicContact CD1-CG2 3.33Å; F86-V91 HydrophobicContact CD2-CG2 4.19Å; F86-V91 HydrophobicContact CE1-CG2 3.76Å; F86-V91 HydrophobicContact CG-CG2 3.58Å; F86-V91 HydrophobicContact CZ-CG2 4.34Å; D89-V91 PolarHBondContact O-N 3.47Å; V91-T96 HydrophobicContact CG1-CG2 4.02Å; V91-I388 HydrophobicContact CB-CD1 4.48Å; V91-I388 HydrophobicContact CG1-CD1 3.98Å; V91-I388 HydrophobicContact CG2-CD1 4.28Å
92	T	92.2	Very high	94.8	Very high	123 Å²	123	67 Å²	67	76%	0.755	37%	0.368	S	S	*	.			trans	-104.1	-19	178.7	55.7	0	0	0	0	113.7	T90 L94	T90-T92 PolarHBondContact O-N 3.09Å; T92-L94 PolarHBondContact O-N 2.96Å
93	S	94	Very high	94.6	Very high	45 Å²	45	68.2 Å²	68.2	32%	0.315	37%	0.368	S	S	.	.			trans	-68.5	120	-178.4	171.4	0	0	0	0	112.2	S95 T96 A97	S93-S95 PolarHBondContact OG-OG 2.86Å; S93-T96 VanDerWaalsContact CB-OG1 3.3Å; S93-T96 WeakPolarHBondContact CB-OG1 3.49Å; S93-T96 PolarHBondContact O-N 3.14Å; S93-T96 PolarHBondContact OG-N 3.03Å; S93-T96 PolarHBondContact OG-OG1 3.27Å; S93-A97 WeakPolarHBondContact O-CB 3.19Å; S93-A97 PolarHBondContact O-N 3.3Å
94	L	91.6	Very high	94.1	Very high	111 Å²	111	71.4 Å²	71.4	58%	0.581	39%	0.391	S	S	*	.	H	α-helix	trans	-66.3	-36	177.8	-67.9	-179	0	0	0	113	T92 K98	T92-L94 PolarHBondContact O-N 2.96Å; L94-K98 WeakPolarHBondContact O-CB 3.23Å; L94-K98 PolarHBondContact O-N 3.49Å
95	S	94.1	Very high	93.5	Very high	87 Å²	87	68.6 Å²	68.6	61%	0.608	38%	0.377	S	S	*	.	H	α-helix	trans	-67.4	-42.3	177.7	55.4	0	0	0	0	110.8	S93 K98 H99	S93-S95 PolarHBondContact OG-OG 2.86Å; S95-K98 PolarHBondContact O-N 3.36Å; S95-H99 WeakPolarHBondContact O-CB 3.36Å; S95-H99 PolarHBondContact O-N 3.12Å
96	T	94.6	Very high	92.9	Very high	40 Å²	40	73.6 Å²	73.6	25%	0.245	39%	0.385	C	S	.	.	H	α-helix	trans	-63.2	-47.9	174.9	-53.3	0	0	0	0	110.8	F86 V91 S93 K98 H99 F100 I388	F86-T96 HydrophobicContact CE1-CG2 4.12Å; F86-T96 HydrophobicContact CZ-CG2 3.65Å; V91-T96 HydrophobicContact CG1-CG2 4.02Å; S93-T96 VanDerWaalsContact CB-OG1 3.3Å; S93-T96 WeakPolarHBondContact CB-OG1 3.49Å; S93-T96 PolarHBondContact O-N 3.14Å; S93-T96 PolarHBondContact OG-N 3.03Å; S93-T96 PolarHBondContact OG-OG1 3.27Å; T96-K98 VanDerWaalsContact C-N 3.32Å; T96-K98 PolarHBondContact O-N 3.32Å; T96-H99 PolarHBondContact O-N 2.69Å; T96-F100 HydrophobicContact CG2-CD2 3.84Å; T96-F100 HydrophobicContact CG2-CE2 4Å; T96-F100 WeakPolarHBondContact O-CD2 3.46Å; T96-F100 PolarHBondContact O-N 3.35Å; T96-F100 VanDerWaalsContact O-N 3.07Å; T96-I388 HydrophobicContact CG2-CD1 4.15Å
97	A	93.4	Very high	92.3	Very high	14 Å²	14	79.6 Å²	79.6	12%	0.116	42%	0.418	C	S	.	.	H	α-helix	trans	-55.8	-45.8	176.4	0	0	0	0	0	112.2	S93 E101 H410	S93-A97 WeakPolarHBondContact O-CB 3.19Å; S93-A97 PolarHBondContact O-N 3.3Å; A97-E101 PolarHBondContact O-N 3.13Å; A97-E101 VanDerWaalsContact O-N 3.12Å; A97-H410 PolarHBondContact O-CE1 2.87Å
98	K	93.6	Very high	91.5	Very high	159 Å²	159	79.9 Å²	79.9	69%	0.691	42%	0.42	S	S	*	.	H	α-helix	trans	-66.6	-38.6	178.3	-172.5	178	-178.4	-178.1	0	112.6	L94 S95 T96 E101	L94-K98 WeakPolarHBondContact O-CB 3.23Å; L94-K98 PolarHBondContact O-N 3.49Å; S95-K98 PolarHBondContact O-N 3.36Å; T96-K98 VanDerWaalsContact C-N 3.32Å; T96-K98 PolarHBondContact O-N 3.32Å; K98-E101 PolarHBondContact O-N 2.7Å
99	H	94.1	Very high	91	Very high	111 Å²	111	73.9 Å²	73.9	51%	0.514	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-48	177.1	178.2	72.6	0	0	0	111.5	S95 T96 E101 Y103	S95-H99 WeakPolarHBondContact O-CB 3.36Å; S95-H99 PolarHBondContact O-N 3.12Å; T96-H99 PolarHBondContact O-N 2.69Å; H99-E101 VanDerWaalsContact C-N 3.32Å; H99-E101 PolarHBondContact O-N 3.15Å; H99-Y103 AromaticContact NE2-CD2 3.85Å
100	F	94.7	Very high	90.4	Very high	20 Å²	20	75 Å²	75	9%	0.088	39%	0.391	C	S	.	.	H	α-helix	trans	-82.2	-2.8	-177.5	-76.9	-77.2	0	0	0	114.8	T82 F86 T96 Y103 I388 H410 F412	T82-F100 HydrophobicContact CG2-CE2 4.42Å; T82-F100 HydrophobicContact CG2-CZ 3.92Å; F86-F100 HydrophobicContact CE2-CD2 4.02Å; F86-F100 AromaticContact CE2-CE2 3.82Å; F86-F100 HydrophobicContact CE2-CE2 3.82Å; F86-F100 HydrophobicContact CE2-CZ 4.13Å; F86-F100 HydrophobicContact CZ-CD2 4.11Å; F86-F100 AromaticContact CZ-CE2 3.73Å; F86-F100 HydrophobicContact CZ-CE2 3.73Å; F86-F100 HydrophobicContact CZ-CZ 4.33Å; T96-F100 HydrophobicContact CG2-CD2 3.84Å; T96-F100 HydrophobicContact CG2-CE2 4Å; T96-F100 WeakPolarHBondContact O-CD2 3.46Å; T96-F100 PolarHBondContact O-N 3.35Å; T96-F100 VanDerWaalsContact O-N 3.07Å; F100-Y103 AromaticContact CD1-CD1 3.86Å; F100-Y103 HydrophobicContact CD1-CD1 3.86Å; F100-Y103 HydrophobicContact CD1-CG 4.04Å; F100-Y103 AromaticContact CE1-CD1 3.9Å; F100-Y103 HydrophobicContact CE1-CD1 3.9Å; F100-Y103 HydrophobicContact CE1-CE1 4.14Å; F100-Y103 HydrophobicContact CE1-CG 4.26Å; F100-I388 HydrophobicContact CB-CD1 3.56Å; F100-I388 HydrophobicContact CB-CG1 4.18Å; F100-I388 HydrophobicContact CB-CG2 4.12Å; F100-I388 HydrophobicContact CD2-CD1 3.72Å; F100-I388 HydrophobicContact CG-CD1 3.85Å; F100-I388 HydrophobicContact CG-CG2 4.46Å; F100-H410 WeakPolarHBondContact O-CA 3.45Å; F100-H410 PolarHBondContact O-ND1 3.07Å; F100-F412 HydrophobicContact CD1-CB 3.67Å; F100-F412 AromaticContact CD1-CD1 3.52Å; F100-F412 HydrophobicContact CD1-CD1 3.52Å; F100-F412 HydrophobicContact CD1-CD2 4.27Å; F100-F412 HydrophobicContact CD1-CE1 4.22Å; F100-F412 AromaticContact CD1-CG 3.55Å; F100-F412 HydrophobicContact CD1-CG 3.55Å; F100-F412 HydrophobicContact CE1-CB 4.2Å; F100-F412 AromaticContact CE1-CD1 3.42Å; F100-F412 HydrophobicContact CE1-CD1 3.42Å; F100-F412 VanDerWaalsContact CE1-CD1 3.42Å; F100-F412 AromaticContact CE1-CD2 3.93Å; F100-F412 HydrophobicContact CE1-CD2 3.93Å; F100-F412 AromaticContact CE1-CE1 3.65Å; F100-F412 HydrophobicContact CE1-CE1 3.65Å; F100-F412 HydrophobicContact CE1-CE2 4.13Å; F100-F412 AromaticContact CE1-CG 3.57Å; F100-F412 HydrophobicContact CE1-CG 3.57Å; F100-F412 HydrophobicContact CE1-CZ 4Å; F100-F412 HydrophobicContact CG-CD1 4.39Å; F100-F412 HydrophobicContact CZ-CD1 4.23Å; F100-F412 HydrophobicContact CZ-CE1 4.11Å; F100-F412 HydrophobicContact CZ-CZ 4.49Å
101	E	94	Very high	89.9	Confident	72 Å²	72	73.5 Å²	73.5	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-42.5	178.1	-172.3	177.3	175.4	0	0	111.4	A97 K98 H99 F409 H410	A97-E101 PolarHBondContact O-N 3.13Å; A97-E101 VanDerWaalsContact O-N 3.12Å; K98-E101 PolarHBondContact O-N 2.7Å; H99-E101 VanDerWaalsContact C-N 3.32Å; H99-E101 PolarHBondContact O-N 3.15Å; E101-F409 HydrophobicContact CG-CD2 3.94Å; E101-F409 HydrophobicContact CG-CE2 3.61Å; E101-H410 PolarHBondContact O-N 2.86Å
102	T	90.5	Very high	89.6	Confident	112 Å²	112	74.9 Å²	74.9	69%	0.687	38%	0.384	S	S	*	.	S	Bend	trans	-117.7	8	-179.3	59.8	0	0	0	0	113.4	S104	T102-S104 PolarHBondContact O-N 3.05Å; T102-S104 VanDerWaalsContact O-N 3.07Å
103	Y	90.6	Very high	89.6	Confident	66 Å²	66	69.9 Å²	69.9	26%	0.259	35%	0.352	S	S	.	.			trans	-62.1	112.9	176.7	-176.9	-103.8	0	0	0	110	H99 F100 T105 D108 F412	H99-Y103 AromaticContact NE2-CD2 3.85Å; F100-Y103 AromaticContact CD1-CD1 3.86Å; F100-Y103 HydrophobicContact CD1-CD1 3.86Å; F100-Y103 HydrophobicContact CD1-CG 4.04Å; F100-Y103 AromaticContact CE1-CD1 3.9Å; F100-Y103 HydrophobicContact CE1-CD1 3.9Å; F100-Y103 HydrophobicContact CE1-CE1 4.14Å; F100-Y103 HydrophobicContact CE1-CG 4.26Å; Y103-T105 HydrophobicContact CD1-CG2 3.91Å; Y103-T105 HydrophobicContact CE1-CG2 4.13Å; Y103-D108 WeakPolarHBondContact CE1-OD2 3.44Å; Y103-D108 VanDerWaalsContact CZ-OD2 3.24Å; Y103-D108 PolarHBondContact OH-OD1 3.09Å; Y103-D108 PolarHBondContact OH-OD2 3.31Å; Y103-F412 HydrophobicContact CD1-CB 4.27Å; Y103-F412 HydrophobicContact CD1-CD2 4.05Å; Y103-F412 HydrophobicContact CD1-CG 4.39Å; Y103-F412 AromaticContact CE1-CD2 3.89Å; Y103-F412 HydrophobicContact CE1-CD2 3.89Å; Y103-F412 HydrophobicContact CE1-CE2 4.31Å
104	S	86.1	Confident	89.6	Confident	67 Å²	67	74.3 Å²	74.3	47%	0.469	37%	0.372	S	S	.	.			trans	-78.4	123.9	174.8	173	0	0	0	0	108.8	T102 R106	T102-S104 PolarHBondContact O-N 3.05Å; T102-S104 VanDerWaalsContact O-N 3.07Å; S104-R106 VanDerWaalsContact C-N 3.31Å; S104-R106 PolarHBondContact OG-N 2.45Å
105	T	83.7	Confident	89.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.352	C	S	.	.			trans	-94.7	6.1	-179.5	64.8	0	0	0	0	113	Y103 N107 D108 R109 E411 F412 D415	Y103-T105 HydrophobicContact CD1-CG2 3.91Å; Y103-T105 HydrophobicContact CE1-CG2 4.13Å; T105-N107 PolarHBondContact O-N 2.85Å; T105-D108 PolarHBondContact O-N 3.5Å; T105-D108 VanDerWaalsContact O-N 3.09Å; T105-R109 WeakPolarHBondContact O-CG 3.17Å; T105-R109 PolarHBondContact O-N 3.07Å; T105-R109 PolarHBondContact O-NE 3.38Å; T105-R109 PolarHBondContact OG1-NE 3.49Å; T105-E411 HydrophobicContact CG2-CB 4.04Å; T105-F412 VanDerWaalsContact CG2-CA 3.5Å; T105-F412 HydrophobicContact CG2-CB 3.83Å; T105-F412 HydrophobicContact CG2-CD2 3.77Å; T105-F412 HydrophobicContact CG2-CG 4.32Å; T105-D415 WeakPolarHBondContact CB-OD2 3.35Å; T105-D415 VanDerWaalsContact CG2-OD2 3.25Å; T105-D415 WeakPolarHBondContact CG2-OD2 3.45Å; T105-D415 PolarHBondContact OG1-OD2 3.29Å
106	R	84	Confident	89.4	Confident	158 Å²	158	68.7 Å²	68.7	60%	0.596	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.3	-174.8	-171.1	173	-177.1	162.1	2.9	112.7	S104 L112	S104-R106 VanDerWaalsContact C-N 3.31Å; S104-R106 PolarHBondContact OG-N 2.45Å; R106-L112 HydrophobicContact CG-CD1 4.24Å
107	N	84.7	Confident	89.4	Confident	149 Å²	149	77 Å²	77	80%	0.797	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-23	179.8	-66.5	-19.1	0	0	0	113	T105 R109	T105-N107 PolarHBondContact O-N 2.85Å; N107-R109 VanDerWaalsContact C-N 3.33Å
108	D	81.3	Confident	89.4	Confident	15 Å²	15	77.2 Å²	77.2	8%	0.08	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-21.1	-178.8	-50.8	-32.5	0	0	0	111.3	M75 I76 Y103 T105	M75-D108 CarbonylContact C-O 3.52Å; M75-D108 WeakPolarHBondContact CA-O 3.44Å; I76-D108 HydrophobicContact CD1-CB 4.5Å; I76-D108 HydrophobicContact CG1-CB 4.18Å; I76-D108 PolarHBondContact N-O 3.36Å; Y103-D108 WeakPolarHBondContact CE1-OD2 3.44Å; Y103-D108 VanDerWaalsContact CZ-OD2 3.24Å; Y103-D108 PolarHBondContact OH-OD1 3.09Å; Y103-D108 PolarHBondContact OH-OD2 3.31Å; T105-D108 PolarHBondContact O-N 3.5Å; T105-D108 VanDerWaalsContact O-N 3.09Å
109	R	86.1	Confident	89.4	Confident	20 Å²	20	70.4 Å²	70.4	8%	0.075	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-87.2	140.5	-169.6	-76.1	-175.5	-68.4	155.3	6.7	114.3	N74 M75 T105 N107 L112 E152 D415	N74-R109 CarbonylContact O-C 3.46Å; N74-R109 WeakPolarHBondContact O-CA 3.08Å; M75-R109 HydrophobicContact CG-CG 4.22Å; T105-R109 WeakPolarHBondContact O-CG 3.17Å; T105-R109 PolarHBondContact O-N 3.07Å; T105-R109 PolarHBondContact O-NE 3.38Å; T105-R109 PolarHBondContact OG1-NE 3.49Å; N107-R109 VanDerWaalsContact C-N 3.33Å; R109-L112 HydrophobicContact CB-CD2 3.79Å; R109-L112 HydrophobicContact CB-CG 4.38Å; R109-E152 IonicContact CZ-OE1 2.88Å; R109-E152 IonicContact NH1-OE1 3.97Å; R109-E152 PolarHBondContact NH1-OE1 3.42Å; R109-E152 IonicContact NH2-OE1 2.87Å; R109-E152 PolarHBondContact NH2-OE1 3.14Å; R109-E152 IonicContact NH2-OE2 2.96Å; R109-D415 WeakPolarHBondContact CD-OD2 3.42Å; R109-D415 WeakPolarHBondContact CG-OD2 3.47Å; R109-D415 IonicContact NE-OD2 3.36Å
110	Y	83.7	Confident	89.3	Confident	119 Å²	119	70.8 Å²	70.8	47%	0.467	36%	0.355	S	S	.	.	S	Bend	trans	-98.7	158.3	169.4	-63.5	-68.4	0	0	0	111.7	N74 M75 I76 L112	N74-Y110 PolarHBondContact O-N 3.18Å; M75-Y110 WeakPolarHBondContact O-CE2 3.48Å; I76-Y110 HydrophobicContact CG2-CE2 4.12Å; Y110-L112 VanDerWaalsContact C-N 3.35Å; Y110-L112 PolarHBondContact O-N 3.42Å
111	R	85.1	Confident	89.2	Confident	37 Å²	37	73.5 Å²	73.5	14%	0.14	37%	0.371	C	S	.	.	S	Bend	trans	55.6	48.2	167.2	-62.1	171	171.3	172.2	1.6	112.7	Q71 N121 F122 Q124 L125 R159	Q71-R111 PolarHBondContact O-NH1 3.01Å; R111-N121 WeakPolarHBondContact CB-O 3.43Å; R111-N121 WeakPolarHBondContact CD-O 3.47Å; R111-N121 WeakPolarHBondContact CG-O 3.14Å; R111-N121 WeakPolarHBondContact CG-OD1 2.98Å; R111-F122 WeakPolarHBondContact O-CD2 2.97Å; R111-Q124 VanDerWaalsContact CZ-OE1 3.3Å; R111-Q124 PolarHBondContact NH1-O 3.41Å; R111-Q124 VanDerWaalsContact NH1-O 3.12Å; R111-L125 HydrophobicContact CB-CD1 4.09Å; R111-L125 HydrophobicContact CB-CG 4.26Å; R111-L125 VanDerWaalsContact NH1-N 3.18Å; R111-R159 PolarHBondContact O-NH1 3.3Å; R111-R159 VanDerWaalsContact O-NH1 3.17Å
112	L	90	Very high	89.2	Confident	47 Å²	47	70.1 Å²	70.1	25%	0.246	36%	0.355	C	S	.	.			trans	-68	149.6	173.9	-63.9	175.5	0	0	0	110.9	R106 R109 Y110 N114	R106-L112 HydrophobicContact CG-CD1 4.24Å; R109-L112 HydrophobicContact CB-CD2 3.79Å; R109-L112 HydrophobicContact CB-CG 4.38Å; Y110-L112 VanDerWaalsContact C-N 3.35Å; Y110-L112 PolarHBondContact O-N 3.42Å; L112-N114 PolarHBondContact O-N 3.32Å
113	W	92.8	Very high	89.2	Confident	19 Å²	19	66.2 Å²	66.2	7%	0.072	33%	0.328	C	S	.	.			trans	-72.3	123.6	167.8	176.6	-102.1	0	0	0	109.5	C119 F122 A155 K186 L187 C190	W113-C119 HydrophobicContact CZ3-CB 4.48Å; W113-F122 HydrophobicContact CB-CD2 3.99Å; W113-F122 HydrophobicContact CB-CE2 4Å; W113-F122 HydrophobicContact CE3-CD1 4.39Å; W113-F122 HydrophobicContact CE3-CG 4.27Å; W113-A155 HydrophobicContact CB-CB 3.86Å; W113-A155 HydrophobicContact CG-CB 4.04Å; W113-K186 HydrophobicContact CZ2-CB 4.5Å; W113-L187 HydrophobicContact CD2-CD1 4.02Å; W113-L187 HydrophobicContact CE3-CD1 3.84Å; W113-L187 HydrophobicContact CH2-CB 4.29Å; W113-L187 HydrophobicContact CH2-CD1 4.04Å; W113-L187 HydrophobicContact CZ2-CB 4.1Å; W113-L187 HydrophobicContact CZ2-CD1 4.21Å; W113-L187 HydrophobicContact CZ3-CD1 3.85Å; W113-C190 HydrophobicContact CH2-CB 4.22Å; W113-C190 HydrophobicContact CZ3-CB 4.04Å
114	N	92.5	Very high	89.2	Confident	138 Å²	138	67.1 Å²	67.1	74%	0.738	34%	0.335	S	S	*	.			trans	-139.7	51.7	176.2	-168.2	14.4	0	0	0	109.6	L112 S118	L112-N114 PolarHBondContact O-N 3.32Å; N114-S118 PolarHBondContact N-OG 2.81Å
115	G	91.9	Very high	89.5	Confident	16 Å²	16	64 Å²	64	17%	0.165	31%	0.313	C	S	.	.	S	Bend	trans	75.8	-179.3	-176.3	0	0	0	0	0	113.9	K117 S118	G115-K117 PolarHBondContact O-N 3.33Å; G115-S118 PolarHBondContact O-N 3.43Å; G115-S118 PolarHBondContact O-OG 3.01Å
116	S	91.3	Very high	89.8	Confident	64 Å²	64	64 Å²	64	45%	0.448	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-55.2	-29	-171.3	-52.8	0	0	0	0	114.8	S118 C119 K186	S116-S118 PolarHBondContact O-N 3.06Å; S116-C119 WeakPolarHBondContact O-CB 3.15Å; S116-C119 PolarHBondContact O-N 3.37Å; S116-C119 VanDerWaalsContact O-N 3.14Å; S116-K186 WeakPolarHBondContact OG-CB 3.12Å
117	K	92.7	Very high	89.8	Confident	215 Å²	215	57.6 Å²	57.6	94%	0.935	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66	-25.4	179.2	-67.3	-176.7	-179.6	178.7	0	113.1	G115 C119	G115-K117 PolarHBondContact O-N 3.33Å; K117-C119 VanDerWaalsContact C-N 3.3Å
118	S	93.7	Very high	89.9	Confident	18 Å²	18	55 Å²	55	13%	0.126	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-87	1	177.1	72.1	0	0	0	0	113	N114 G115 S116 D120 N121 F122	N114-S118 PolarHBondContact N-OG 2.81Å; G115-S118 PolarHBondContact O-N 3.43Å; G115-S118 PolarHBondContact O-OG 3.01Å; S116-S118 PolarHBondContact O-N 3.06Å; S118-D120 PolarHBondContact O-N 2.85Å; S118-N121 PolarHBondContact O-N 3.14Å; S118-F122 WeakPolarHBondContact O-CB 3.39Å; S118-F122 PolarHBondContact O-N 2.96Å
119	C	94.7	Very high	90.2	Very high	15 Å²	15	60 Å²	60	10%	0.101	31%	0.306	C	S	.	.	H	α-helix	trans	-54.3	-51.2	-169.4	175.2	0	0	0	0	113.6	W113 S116 K117 N121 F122 K123 C190	W113-C119 HydrophobicContact CZ3-CB 4.48Å; S116-C119 WeakPolarHBondContact O-CB 3.15Å; S116-C119 PolarHBondContact O-N 3.37Å; S116-C119 VanDerWaalsContact O-N 3.14Å; K117-C119 VanDerWaalsContact C-N 3.3Å; C119-N121 PolarHBondContact O-N 3.33Å; C119-F122 WeakPolarHBondContact O-CB 3.24Å; C119-F122 PolarHBondContact O-N 3.18Å; C119-K123 WeakPolarHBondContact O-CG 3.49Å; C119-K123 PolarHBondContact O-N 2.95Å; C119-K123 VanDerWaalsContact SG-CE 3.51Å; C119-C190 WeakPolarHBondContact CA-SG 3.45Å; C119-C190 HydrophobicContact CB-CB 3.82Å; C119-C190 WeakPolarHBondContact CB-SG 3.08Å; C119-C190 WeakPolarHBondContact SG-CA 3.19Å; C119-C190 WeakPolarHBondContact SG-CB 3.32Å; C119-C190 PolarHBondContact SG-O 2.7Å; C119-C190 VanDerWaalsContact SG-O 3.37Å; C119-C190 CovalentContact SG-SG 2.02Å; C119-C190 PolarHBondContact SG-SG 2.65Å
120	D	92.3	Very high	90.6	Very high	119 Å²	119	59.8 Å²	59.8	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-63.8	-47.3	-177.1	-65.9	-26.3	0	0	0	110.8	S118 F122 K123 Q124	S118-D120 PolarHBondContact O-N 2.85Å; D120-F122 VanDerWaalsContact C-N 3.33Å; D120-F122 PolarHBondContact O-N 3.34Å; D120-K123 PolarHBondContact O-N 3.25Å; D120-Q124 WeakPolarHBondContact O-CG 3.27Å; D120-Q124 PolarHBondContact O-N 2.99Å
121	N	91.8	Very high	91.1	Very high	78 Å²	78	57.9 Å²	57.9	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-41.4	176.9	-168.8	39.4	0	0	0	111.8	R111 S118 C119 K123 Q124	R111-N121 WeakPolarHBondContact CB-O 3.43Å; R111-N121 WeakPolarHBondContact CD-O 3.47Å; R111-N121 WeakPolarHBondContact CG-O 3.14Å; R111-N121 WeakPolarHBondContact CG-OD1 2.98Å; S118-N121 PolarHBondContact O-N 3.14Å; C119-N121 PolarHBondContact O-N 3.33Å; N121-K123 PolarHBondContact O-N 2.97Å; N121-Q124 PolarHBondContact O-N 3.05Å
122	F	93.4	Very high	91.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-42.4	179.2	179.1	-99.2	0	0	0	112.4	R111 W113 S118 C119 D120 A155 R159 F191	R111-F122 WeakPolarHBondContact O-CD2 2.97Å; W113-F122 HydrophobicContact CB-CD2 3.99Å; W113-F122 HydrophobicContact CB-CE2 4Å; W113-F122 HydrophobicContact CE3-CD1 4.39Å; W113-F122 HydrophobicContact CE3-CG 4.27Å; S118-F122 WeakPolarHBondContact O-CB 3.39Å; S118-F122 PolarHBondContact O-N 2.96Å; C119-F122 WeakPolarHBondContact O-CB 3.24Å; C119-F122 PolarHBondContact O-N 3.18Å; D120-F122 VanDerWaalsContact C-N 3.33Å; D120-F122 PolarHBondContact O-N 3.34Å; F122-A155 HydrophobicContact CE1-CB 4.24Å; F122-A155 HydrophobicContact CE2-CB 4.12Å; F122-A155 HydrophobicContact CZ-CB 3.65Å; F122-A155 VanDerWaalsContact CZ-O 3.3Å; F122-A155 WeakPolarHBondContact CZ-O 3.28Å; F122-R159 HydrophobicContact CE1-CB 3.89Å; F122-R159 HydrophobicContact CE1-CG 4.46Å; F122-R159 HydrophobicContact CZ-CB 3.85Å; F122-R159 HydrophobicContact CZ-CG 4.47Å; F122-F191 HydrophobicContact CD1-CZ 4.44Å; F122-F191 HydrophobicContact CE1-CE2 4.12Å; F122-F191 AromaticContact CE1-CZ 3.78Å; F122-F191 HydrophobicContact CE1-CZ 3.78Å
123	K	92.1	Very high	91.9	Very high	30 Å²	30	55.2 Å²	55.2	13%	0.13	29%	0.289	C	S	.	.	H	α-helix	trans	-75.4	-19.1	-179.2	-72.3	-174.1	-59.9	-170.9	0	114.2	C119 D120 N121 L125 I126 Q128 C190	C119-K123 WeakPolarHBondContact O-CG 3.49Å; C119-K123 PolarHBondContact O-N 2.95Å; C119-K123 VanDerWaalsContact SG-CE 3.51Å; D120-K123 PolarHBondContact O-N 3.25Å; N121-K123 PolarHBondContact O-N 2.97Å; K123-L125 PolarHBondContact O-N 3.1Å; K123-I126 WeakPolarHBondContact O-CG1 3.31Å; K123-I126 PolarHBondContact O-N 3.19Å; K123-I126 VanDerWaalsContact O-N 3.14Å; K123-Q128 HydrophobicContact CB-CG 4.09Å; K123-C190 WeakPolarHBondContact CD-O 3.47Å; K123-C190 PolarHBondContact NZ-O 3.21Å
124	Q	90.4	Very high	92.1	Very high	86 Å²	86	60.8 Å²	60.8	40%	0.402	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.6	-20.4	-178.5	-75.3	179	8.4	0	0	113.7	R111 D120 N121 I126 E127	R111-Q124 VanDerWaalsContact CZ-OE1 3.3Å; R111-Q124 PolarHBondContact NH1-O 3.41Å; R111-Q124 VanDerWaalsContact NH1-O 3.12Å; D120-Q124 WeakPolarHBondContact O-CG 3.27Å; D120-Q124 PolarHBondContact O-N 2.99Å; N121-Q124 PolarHBondContact O-N 3.05Å; Q124-I126 PolarHBondContact O-N 3.11Å; Q124-E127 PolarHBondContact O-N 3.26Å
125	L	91	Very high	92.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-67.4	-21.2	178.1	-79.6	174.8	0	0	0	114.1	Q73 N74 R111 K123 L422	Q73-L125 WeakPolarHBondContact O-CD2 3.48Å; N74-L125 HydrophobicContact CB-CD1 3.83Å; N74-L125 HydrophobicContact CB-CD2 4.26Å; R111-L125 HydrophobicContact CB-CD1 4.09Å; R111-L125 HydrophobicContact CB-CG 4.26Å; R111-L125 VanDerWaalsContact NH1-N 3.18Å; K123-L125 PolarHBondContact O-N 3.1Å; L125-L422 HydrophobicContact CB-CD1 4.3Å; L125-L422 HydrophobicContact CD1-CD1 4.43Å; L125-L422 HydrophobicContact CD2-CD1 4.39Å; L125-L422 WeakPolarHBondContact O-CD2 3.48Å
126	I	90.7	Very high	92.6	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-108.4	18.6	-178	56.9	165.6	0	0	0	113.2	K123 Q124 V130 R159 Y162 F191 L422 M425	K123-I126 WeakPolarHBondContact O-CG1 3.31Å; K123-I126 PolarHBondContact O-N 3.19Å; K123-I126 VanDerWaalsContact O-N 3.14Å; Q124-I126 PolarHBondContact O-N 3.11Å; I126-V130 HydrophobicContact CD1-CG2 3.88Å; I126-V130 HydrophobicContact CG1-CG2 4.25Å; I126-R159 HydrophobicContact CD1-CG 4.49Å; I126-R159 HydrophobicContact CG1-CG 4.48Å; I126-R159 HydrophobicContact CG2-CG 3.54Å; I126-R159 WeakPolarHBondContact CG2-O 3.47Å; I126-Y162 HydrophobicContact CD1-CD1 4Å; I126-F191 HydrophobicContact CD1-CE1 4.36Å; I126-L422 HydrophobicContact CG2-CD2 3.81Å; I126-M425 HydrophobicContact CB-CE 4.25Å; I126-M425 HydrophobicContact CG2-CE 4.08Å
127	E	84.1	Confident	92.9	Very high	23 Å²	23	58 Å²	58	11%	0.107	29%	0.285	C	S	.	.			trans	60.2	143.5	-171.2	-54.7	169.4	-145.6	0	0	113	Y72 Q124 P129 V130 H429	Y72-E127 HydrophobicContact CE1-CG 3.5Å; Y72-E127 VanDerWaalsContact CE1-CG 3.5Å; Y72-E127 WeakPolarHBondContact CE1-OE1 3.45Å; Y72-E127 WeakPolarHBondContact OH-CG 3.17Å; Y72-E127 PolarHBondContact OH-OE1 3.46Å; Q124-E127 PolarHBondContact O-N 3.26Å; E127-P129 CarbonylContact O-C 3.51Å; E127-V130 WeakPolarHBondContact O-CG2 3.45Å; E127-V130 PolarHBondContact O-N 3.06Å; E127-H429 IonicContact OE1-CD2 3.49Å; E127-H429 PolarHBondContact OE1-CD2 3.35Å; E127-H429 IonicContact OE1-CG 2.71Å; E127-H429 IonicContact OE2-CD2 3.17Å; E127-H429 PolarHBondContact OE2-CD2 2.81Å; E127-H429 IonicContact OE2-CG 3.11Å; E127-H429 IonicContact OE2-NE2 3.54Å
128	Q	86.3	Confident	93.1	Very high	93 Å²	93	51.3 Å²	51.3	44%	0.435	27%	0.265	S	S	.	.	S	Bend	trans	-132.6	122.4	175	-64.1	-65.9	-63	0	0	109.1	K123	K123-Q128 HydrophobicContact CB-CG 4.09Å
129	P	89.1	Confident	93.4	Very high	120 Å²	120	51.8 Å²	51.8	78%	0.779	27%	0.265	S	S	*	.	S	Bend	cis	-64.3	149.9	-6.2	30.6	-35.8	0	0	0	111.9	E127 W131	E127-P129 CarbonylContact O-C 3.51Å; P129-W131 PolarHBondContact O-N 2.02Å
130	V	92.4	Very high	93.5	Very high	17 Å²	17	52 Å²	52	10%	0.103	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.8	123.3	178.2	-177.5	0	0	0	0	108.8	I126 E127 Y162	I126-V130 HydrophobicContact CD1-CG2 3.88Å; I126-V130 HydrophobicContact CG1-CG2 4.25Å; E127-V130 WeakPolarHBondContact O-CG2 3.45Å; E127-V130 PolarHBondContact O-N 3.06Å; V130-Y162 HydrophobicContact CG2-CD1 4.38Å; V130-Y162 HydrophobicContact CG2-CE1 4.42Å
131	W	94.5	Very high	93.9	Very high	79 Å²	79	46.3 Å²	46.3	30%	0.299	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-67.9	144.9	174.4	179.2	88	0	0	0	111.4	P129 W249 E428 H429	P129-W131 PolarHBondContact O-N 2.02Å; W131-W249 HydrophobicContact CH2-CE3 4.03Å; W131-W249 AromaticContact CH2-CZ3 3.8Å; W131-W249 HydrophobicContact CH2-CZ3 3.8Å; W131-W249 HydrophobicContact CZ3-CE3 4.17Å; W131-W249 HydrophobicContact CZ3-CZ3 4.36Å; W131-E428 HydrophobicContact CZ3-CB 4.26Å; W131-H429 HydrophobicContact CB-CB 4.47Å; W131-H429 AromaticContact CD1-CE1 3.3Å; W131-H429 AromaticContact CD1-ND1 3Å; W131-H429 HydrophobicContact CD2-CB 3.92Å; W131-H429 AromaticContact CD2-CG 3.91Å; W131-H429 AromaticContact CD2-ND1 3.3Å; W131-H429 VanDerWaalsContact CD2-ND1 3.3Å; W131-H429 AromaticContact CE2-ND1 3.47Å; W131-H429 HydrophobicContact CE3-CB 3.87Å; W131-H429 HydrophobicContact CG-CB 4.22Å; W131-H429 AromaticContact CG-CE1 3.62Å; W131-H429 AromaticContact CG-CG 3.74Å; W131-H429 AromaticContact CG-ND1 2.99Å; W131-H429 HydrophobicContact CZ3-CB 4.4Å; W131-H429 AromaticContact NE1-CE1 3.78Å; W131-H429 AromaticContact NE1-ND1 3.25Å; W131-H429 PolarHBondContact NE1-ND1 3.03Å
132	L	96.2	Very high	94.2	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.099	22%	0.215	C	C	.	.			trans	-139.2	135.1	179.3	-68.9	173.8	0	0	0	109.8	E136 K137 R163 P164 N165	L132-E136 WeakPolarHBondContact CA-OE2 3.19Å; L132-E136 HydrophobicContact CD2-CB 4.06Å; L132-K137 HydrophobicContact CB-CD 4.48Å; L132-K137 HydrophobicContact CB-CG 3.83Å; L132-K137 HydrophobicContact CD1-CG 3.98Å; L132-K137 WeakPolarHBondContact O-CE 3.19Å; L132-R163 HydrophobicContact CD2-CB 4.02Å; L132-R163 HydrophobicContact CD2-CG 3.88Å; L132-P164 HydrophobicContact CD1-CG 3.93Å; L132-N165 HydrophobicContact CD1-CB 4.37Å; L132-N165 VanDerWaalsContact CD1-OD1 3.27Å; L132-N165 WeakPolarHBondContact CD1-OD1 3.42Å
133	S	97	Very high	94.4	Very high	8 Å²	8	42.7 Å²	42.7	6%	0.056	22%	0.216	C	C	.	.			trans	-68	157.8	165.5	81.3	0	0	0	0	110.9	E135 E136 K137 W249	S133-E135 PolarHBondContact O-N 2.89Å; S133-E135 PolarHBondContact OG-N 3.44Å; S133-E136 PolarHBondContact N-OE2 3.28Å; S133-E136 PolarHBondContact O-N 2.79Å; S133-E136 WeakPolarHBondContact OG-CG 3.35Å; S133-E136 PolarHBondContact OG-N 3.06Å; S133-E136 PolarHBondContact OG-OE2 3.41Å; S133-K137 WeakPolarHBondContact O-CG 3.12Å; S133-K137 PolarHBondContact O-N 2.89Å; S133-W249 PolarHBondContact OG-NE1 3.4Å
134	E	96.7	Very high	94.8	Very high	136 Å²	136	41.3 Å²	41.3	64%	0.636	21%	0.21	S	C	*	.	H	α-helix	trans	-60	-33.4	174.3	-67.2	-54.2	123.7	0	0	111.8	K137 S138	E134-K137 PolarHBondContact O-N 3.43Å; E134-K137 IonicContact OE1-NZ 2.69Å; E134-K137 PolarHBondContact OE1-NZ 2.93Å; E134-S138 WeakPolarHBondContact O-CB 3.2Å; E134-S138 PolarHBondContact O-N 2.81Å; E134-S138 PolarHBondContact O-OG 2.83Å
135	E	97.1	Very high	95.1	Very high	60 Å²	60	37.2 Å²	37.2	28%	0.28	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-45.2	175.1	171	145.6	-123.3	0	0	112.1	S133 S138 Y139 W249 V252 V253 K256	S133-E135 PolarHBondContact O-N 2.89Å; S133-E135 PolarHBondContact OG-N 3.44Å; E135-S138 PolarHBondContact O-N 3.16Å; E135-S138 PolarHBondContact O-OG 3.19Å; E135-Y139 WeakPolarHBondContact O-CB 3.09Å; E135-Y139 PolarHBondContact O-N 2.81Å; E135-W249 PolarHBondContact OE2-NE1 2.99Å; E135-V252 HydrophobicContact CG-CG1 3.58Å; E135-V253 VanDerWaalsContact CD-CG2 3.46Å; E135-V253 HydrophobicContact CG-CG2 4.25Å; E135-V253 WeakPolarHBondContact OE2-CG2 3.21Å; E135-K256 HydrophobicContact CG-CD 4.43Å; E135-K256 WeakPolarHBondContact OE1-CD 3.28Å; E135-K256 WeakPolarHBondContact OE1-CE 3.44Å; E135-K256 IonicContact OE1-NZ 3.5Å; E135-K256 PolarHBondContact OE1-NZ 2.93Å
136	E	98.1	Very high	95.5	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-45.7	175.2	-70.5	174.9	104.3	0	0	111.7	L132 S133 S138 Y139 R163 N165 N248 W249 V252	L132-E136 WeakPolarHBondContact CA-OE2 3.19Å; L132-E136 HydrophobicContact CD2-CB 4.06Å; S133-E136 PolarHBondContact N-OE2 3.28Å; S133-E136 PolarHBondContact O-N 2.79Å; S133-E136 WeakPolarHBondContact OG-CG 3.35Å; S133-E136 PolarHBondContact OG-N 3.06Å; S133-E136 PolarHBondContact OG-OE2 3.41Å; E136-S138 PolarHBondContact O-N 2.62Å; E136-Y139 CarbonylContact O-C 3.58Å; E136-Y139 PolarHBondContact O-N 2.86Å; E136-Y139 VanDerWaalsContact O-N 3.09Å; E136-R163 IonicContact OE1-NE 3.79Å; E136-R163 PolarHBondContact OE1-NE 3.22Å; E136-N165 PolarHBondContact O-ND2 3.05Å; E136-N248 WeakPolarHBondContact CG-ND2 3.4Å; E136-N248 VanDerWaalsContact OE1-CB 3.28Å; E136-N248 WeakPolarHBondContact OE1-CB 3.33Å; E136-N248 PolarHBondContact OE1-ND2 3.33Å; E136-W249 HydrophobicContact CG-CB 3.8Å; E136-W249 HydrophobicContact CG-CG 4.07Å; E136-W249 PolarHBondContact OE1-N 2.85Å; E136-V252 HydrophobicContact CG-CG2 4.28Å
137	K	97.5	Very high	95.8	Very high	99 Å²	99	38.6 Å²	38.6	43%	0.43	20%	0.198	S	C	.	.	H	α-helix	trans	-56.8	-40.4	178.2	-68	173.3	-167.5	168.7	0	112	L132 S133 E134 Y139	L132-K137 HydrophobicContact CB-CD 4.48Å; L132-K137 HydrophobicContact CB-CG 3.83Å; L132-K137 HydrophobicContact CD1-CG 3.98Å; L132-K137 WeakPolarHBondContact O-CE 3.19Å; S133-K137 WeakPolarHBondContact O-CG 3.12Å; S133-K137 PolarHBondContact O-N 2.89Å; E134-K137 PolarHBondContact O-N 3.43Å; E134-K137 IonicContact OE1-NZ 2.69Å; E134-K137 PolarHBondContact OE1-NZ 2.93Å; K137-Y139 VanDerWaalsContact C-N 3.28Å; K137-Y139 PolarHBondContact O-N 3.14Å
138	S	97.3	Very high	96.4	Very high	74 Å²	74	43.6 Å²	43.6	52%	0.517	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.9	-179.2	72.2	0	0	0	0	114.8	E134 E135 E136	E134-S138 WeakPolarHBondContact O-CB 3.2Å; E134-S138 PolarHBondContact O-N 2.81Å; E134-S138 PolarHBondContact O-OG 2.83Å; E135-S138 PolarHBondContact O-N 3.16Å; E135-S138 PolarHBondContact O-OG 3.19Å; E136-S138 PolarHBondContact O-N 2.62Å
139	Y	98.2	Very high	96.8	Very high	27 Å²	27	41.5 Å²	41.5	11%	0.106	21%	0.209	C	C	.	.	S	Bend	trans	-136.7	67.9	-171.6	-154	-90.1	0	0	0	112.6	E135 E136 K137 Q233 Y234 V252 L255 K256	E135-Y139 WeakPolarHBondContact O-CB 3.09Å; E135-Y139 PolarHBondContact O-N 2.81Å; E136-Y139 CarbonylContact O-C 3.58Å; E136-Y139 PolarHBondContact O-N 2.86Å; E136-Y139 VanDerWaalsContact O-N 3.09Å; K137-Y139 VanDerWaalsContact C-N 3.28Å; K137-Y139 PolarHBondContact O-N 3.14Å; Y139-Q233 HydrophobicContact CD1-CB 3.96Å; Y139-Q233 HydrophobicContact CD1-CG 4.05Å; Y139-Q233 HydrophobicContact CD2-CB 4.21Å; Y139-Q233 HydrophobicContact CD2-CG 3.69Å; Y139-Q233 HydrophobicContact CE1-CB 3.56Å; Y139-Q233 HydrophobicContact CE1-CG 4.09Å; Y139-Q233 HydrophobicContact CE2-CB 3.83Å; Y139-Q233 HydrophobicContact CE2-CG 3.73Å; Y139-Q233 HydrophobicContact CG-CB 4.27Å; Y139-Q233 HydrophobicContact CG-CG 3.87Å; Y139-Q233 VanDerWaalsContact CZ-CB 3.5Å; Y139-Y234 HydrophobicContact CE1-CD2 4.05Å; Y139-Y234 VanDerWaalsContact OH-CD2 3.29Å; Y139-Y234 WeakPolarHBondContact OH-CD2 3.42Å; Y139-Y234 WeakPolarHBondContact OH-CE2 3.49Å; Y139-V252 HydrophobicContact CD1-CB 4.49Å; Y139-V252 HydrophobicContact CD1-CG1 3.97Å; Y139-V252 HydrophobicContact CD1-CG2 4.31Å; Y139-V252 HydrophobicContact CG-CG1 3.96Å; Y139-L255 HydrophobicContact CE1-CB 3.94Å; Y139-K256 HydrophobicContact CD1-CG 4.41Å; Y139-K256 HydrophobicContact CD2-CD 4.11Å; Y139-K256 HydrophobicContact CD2-CG 3.68Å; Y139-K256 HydrophobicContact CE1-CG 4.25Å; Y139-K256 HydrophobicContact CE2-CD 4.38Å; Y139-K256 HydrophobicContact CE2-CG 3.49Å; Y139-K256 VanDerWaalsContact CE2-CG 3.49Å; Y139-K256 HydrophobicContact CG-CD 4.46Å; Y139-K256 HydrophobicContact CG-CG 4.13Å
140	P	98.4	Very high	97	Very high	19 Å²	19	37.1 Å²	37.1	12%	0.123	18%	0.179	C	C	.	.			trans	-62.6	144.2	-179.2	-20	32.4	0	0	0	112.9	N165 V230 W232 Q233	P140-N165 WeakPolarHBondContact CB-O 3.2Å; P140-V230 HydrophobicContact CB-CG1 3.76Å; P140-V230 HydrophobicContact CG-CG1 4.36Å; P140-W232 HydrophobicContact CB-CB 4.35Å; P140-W232 CarbonylContact O-C 3.55Å; P140-W232 VanDerWaalsContact O-CA 3.29Å; P140-W232 WeakPolarHBondContact O-CA 3.24Å; P140-Q233 PolarHBondContact O-N 3.36Å
141	I	98.7	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.5	178.2	-60.4	171.9	0	0	0	109.2	Y143 N166 L167 L236 L251 V252 L255	I141-Y143 HydrophobicContact CB-CE2 3.99Å; I141-Y143 HydrophobicContact CG2-CD2 4.09Å; I141-Y143 HydrophobicContact CG2-CE1 4.14Å; I141-Y143 HydrophobicContact CG2-CE2 3.56Å; I141-N166 PolarHBondContact N-OD1 2.89Å; I141-N166 WeakPolarHBondContact O-CA 3.49Å; I141-N166 WeakPolarHBondContact O-CB 3.42Å; I141-L167 PolarHBondContact O-N 2.94Å; I141-L236 HydrophobicContact CG2-CD1 3.63Å; I141-L251 HydrophobicContact CD1-CD2 3.79Å; I141-L251 HydrophobicContact CD1-CG 3.9Å; I141-V252 HydrophobicContact CD1-CG2 3.73Å; I141-V252 HydrophobicContact CG1-CG2 4.32Å; I141-L255 HydrophobicContact CD1-CD1 3.61Å; I141-L255 HydrophobicContact CG1-CD1 4Å
142	A	98.8	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.6	169.8	0	0	0	0	0	111.4	L167 L224 W232 Y234 L235 L236	A142-L167 CarbonylContact C-O 3.52Å; A142-L167 WeakPolarHBondContact CA-O 3.49Å; A142-L167 HydrophobicContact CB-CB 4.5Å; A142-L224 HydrophobicContact CB-CD1 4.35Å; A142-L224 HydrophobicContact CB-CD2 4.43Å; A142-W232 HydrophobicContact CB-CB 3.96Å; A142-W232 HydrophobicContact CB-CD2 3.54Å; A142-W232 HydrophobicContact CB-CE3 3.91Å; A142-W232 HydrophobicContact CB-CG 3.54Å; A142-Y234 PolarHBondContact N-O 3.15Å; A142-L235 HydrophobicContact CB-CB 4.48Å; A142-L235 HydrophobicContact CB-CD1 3.67Å; A142-L235 CarbonylContact O-C 3.56Å; A142-L235 VanDerWaalsContact O-CA 3.3Å; A142-L235 WeakPolarHBondContact O-CA 3.28Å; A142-L236 PolarHBondContact O-N 2.85Å
143	Y	98.8	Very high	96.8	Very high	2 Å²	2	35 Å²	35	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.1	177.2	-65.7	-85.2	0	0	0	111.5	I141 I161 L167 Y168 C169 L224 L236 I238 L251 F401	I141-Y143 HydrophobicContact CB-CE2 3.99Å; I141-Y143 HydrophobicContact CG2-CD2 4.09Å; I141-Y143 HydrophobicContact CG2-CE1 4.14Å; I141-Y143 HydrophobicContact CG2-CE2 3.56Å; Y143-I161 HydrophobicContact CD1-CD1 4.25Å; Y143-I161 HydrophobicContact CG-CD1 4.2Å; Y143-L167 PolarHBondContact N-O 3.26Å; Y143-Y168 AromaticContact CD2-CD1 3.6Å; Y143-Y168 HydrophobicContact CD2-CD1 3.6Å; Y143-Y168 AromaticContact CD2-CE1 3.2Å; Y143-Y168 HydrophobicContact CD2-CE1 3.2Å; Y143-Y168 AromaticContact CD2-CZ 3.92Å; Y143-Y168 AromaticContact CE2-CE1 3.69Å; Y143-Y168 HydrophobicContact CE2-CE1 3.69Å; Y143-Y168 HydrophobicContact CG-CD1 4Å; Y143-Y168 AromaticContact CG-CE1 3.96Å; Y143-Y168 HydrophobicContact CG-CE1 3.96Å; Y143-C169 PolarHBondContact O-N 3.28Å; Y143-L224 WeakPolarHBondContact O-CD1 3.29Å; Y143-L236 VanDerWaalsContact CA-O 3.32Å; Y143-L236 WeakPolarHBondContact CA-O 3.43Å; Y143-L236 HydrophobicContact CD1-CB 3.92Å; Y143-L236 HydrophobicContact CE1-CB 4.06Å; Y143-L236 HydrophobicContact CE1-CD2 4.45Å; Y143-I238 HydrophobicContact CD1-CD1 3.33Å; Y143-I238 HydrophobicContact CD1-CG1 4.28Å; Y143-I238 HydrophobicContact CE1-CD1 3.69Å; Y143-I238 HydrophobicContact CG-CD1 4.38Å; Y143-L251 HydrophobicContact CE1-CD2 4.46Å; Y143-L251 WeakPolarHBondContact OH-CD2 3.46Å; Y143-F401 AromaticContact CE1-CZ 4Å; Y143-F401 HydrophobicContact CE1-CZ 4Å
144	S	98.6	Very high	96.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.2	171	173.8	0	0	0	0	109.4	C220 L236 N237 I238	S144-C220 VanDerWaalsContact OG-CB 3.28Å; S144-C220 WeakPolarHBondContact OG-CB 3.27Å; S144-L236 PolarHBondContact N-O 2.75Å; S144-N237 CarbonylContact O-C 3.44Å; S144-N237 VanDerWaalsContact O-CA 3.26Å; S144-N237 WeakPolarHBondContact O-CA 3.44Å; S144-I238 PolarHBondContact O-N 3.41Å
145	L	98.4	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.8	179.1	-73.6	75.8	0	0	0	109.6	I147 L157 I161 C169 I170 H171 I238	L145-I147 HydrophobicContact CB-CG2 4.44Å; L145-L157 HydrophobicContact CD2-CD2 4.33Å; L145-I161 HydrophobicContact CD1-CD1 4.35Å; L145-C169 PolarHBondContact N-O 3.25Å; L145-I170 HydrophobicContact CB-CG1 4.31Å; L145-I170 HydrophobicContact CB-CG2 4.4Å; L145-I170 HydrophobicContact CD2-CG1 4.42Å; L145-H171 PolarHBondContact O-N 2.95Å; L145-I238 VanDerWaalsContact CA-O 3.31Å; L145-I238 WeakPolarHBondContact CA-O 3.48Å
146	L	97.6	Very high	96.6	Very high	29 Å²	29	25.6 Å²	25.6	15%	0.152	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.8	173.1	-171.2	63.8	0	0	0	109.4	H171 V206 V213 I238 F292	L146-H171 HydrophobicContact CD1-CB 3.86Å; L146-H171 WeakPolarHBondContact CD1-ND1 3.18Å; L146-V206 HydrophobicContact CD1-CG2 4.14Å; L146-V213 HydrophobicContact CD2-CG1 4.18Å; L146-I238 PolarHBondContact N-O 3.36Å; L146-F292 HydrophobicContact CD2-CE1 4.44Å
147	I	97.4	Very high	96.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.9	-172.3	66.1	173.5	0	0	0	111.9	L145 T154 I170 H171 V172 D173 F180 I184	L145-I147 HydrophobicContact CB-CG2 4.44Å; I147-T154 HydrophobicContact CD1-CG2 3.72Å; I147-I170 HydrophobicContact CD1-CG2 3.37Å; I147-I170 HydrophobicContact CG1-CG2 3.79Å; I147-H171 WeakPolarHBondContact CG1-O 3.16Å; I147-H171 PolarHBondContact N-O 2.84Å; I147-V172 HydrophobicContact CD1-CG2 4.08Å; I147-V172 HydrophobicContact CG1-CG2 4.06Å; I147-V172 WeakPolarHBondContact O-CA 3.3Å; I147-D173 PolarHBondContact O-N 3.44Å; I147-F180 HydrophobicContact CD1-CE1 4.2Å; I147-F180 HydrophobicContact CD1-CZ 4.01Å; I147-F180 HydrophobicContact CG1-CE1 4.34Å; I147-F180 HydrophobicContact CG1-CZ 4.5Å; I147-I184 HydrophobicContact CD1-CD1 3.4Å; I147-I184 HydrophobicContact CD1-CG1 3.84Å
148	Y	96.4	Very high	96.5	Very high	128 Å²	128	20.8 Å²	20.8	50%	0.502	11%	0.105	S	C	.	.			trans	-139.2	-11.3	177.7	66	-90.9	0	0	0	113.7	S176	Y148-S176 VanDerWaalsContact C-OG 3.29Å; Y148-S176 VanDerWaalsContact CA-OG 3.29Å; Y148-S176 WeakPolarHBondContact CA-OG 3.39Å; Y148-S176 WeakPolarHBondContact O-CB 3.37Å; Y148-S176 PolarHBondContact O-OG 2.93Å
149	D	94.8	Very high	96.5	Very high	49 Å²	49	17.5 Å²	17.5	26%	0.262	8%	0.081	S	C	.	.	S	Bend	trans	-154.7	174.8	-177.4	71.6	-15.2	0	0	0	112.1	F180 K241	D149-F180 WeakPolarHBondContact O-CZ 3.44Å; D149-K241 WeakPolarHBondContact OD1-CE 3.46Å; D149-K241 IonicContact OD1-NZ 2.8Å; D149-K241 PolarHBondContact OD1-NZ 3.01Å; D149-K241 IonicContact OD2-NZ 2.82Å; D149-K241 PolarHBondContact OD2-NZ 3.42Å
150	D	93.4	Very high	96.4	Very high	28 Å²	28	16.4 Å²	16.4	15%	0.15	8%	0.077	C	C	.	.			trans	58.4	89.5	167.7	-154.1	-36.8	0	0	0	115.5	E152 W153 T154 N407	D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 3.34Å; D150-E152 PolarHBondContact OD1-N 2.94Å; D150-W153 HydrophobicContact CB-CB 4.09Å; D150-W153 HydrophobicContact CB-CG 4.4Å; D150-W153 PolarHBondContact OD1-N 2.76Å; D150-T154 WeakPolarHBondContact O-CB 3.49Å; D150-T154 PolarHBondContact O-N 3.32Å; D150-T154 VanDerWaalsContact O-N 3.08Å; D150-T154 PolarHBondContact O-OG1 2.96Å; D150-N407 PolarHBondContact OD2-ND2 2.87Å
151	I	94.9	Very high	96.3	Very high	29 Å²	29	15.8 Å²	15.8	15%	0.149	7%	0.073	C	C	.	.	H	α-helix	trans	-66.3	-35.8	179.9	-178.2	60.8	0	0	0	111.5	T154 A155 F180 E183 I184 L187	I151-T154 PolarHBondContact O-N 3.21Å; I151-A155 VanDerWaalsContact O-CB 3.28Å; I151-A155 WeakPolarHBondContact O-CB 3.29Å; I151-A155 PolarHBondContact O-N 3.35Å; I151-F180 HydrophobicContact CB-CD2 4.4Å; I151-F180 HydrophobicContact CB-CE2 4.06Å; I151-E183 HydrophobicContact CD1-CB 3.98Å; I151-E183 HydrophobicContact CG1-CB 4.07Å; I151-I184 HydrophobicContact CD1-CD1 3.55Å; I151-I184 HydrophobicContact CD1-CG1 4.17Å; I151-L187 HydrophobicContact CD1-CB 4.26Å; I151-L187 HydrophobicContact CD1-CD2 3.94Å
152	E	92.6	Very high	96.3	Very high	38 Å²	38	16.5 Å²	16.5	18%	0.178	8%	0.076	C	C	.	.	H	α-helix	trans	-68.4	-46.5	-176.4	-170.2	-170.9	120.6	0	0	110.3	R109 D150 A155 R156	R109-E152 IonicContact CZ-OE1 2.88Å; R109-E152 IonicContact NH1-OE1 3.97Å; R109-E152 PolarHBondContact NH1-OE1 3.42Å; R109-E152 IonicContact NH2-OE1 2.87Å; R109-E152 PolarHBondContact NH2-OE1 3.14Å; R109-E152 IonicContact NH2-OE2 2.96Å; D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 3.34Å; D150-E152 PolarHBondContact OD1-N 2.94Å; E152-A155 PolarHBondContact O-N 2.9Å; E152-R156 VanDerWaalsContact O-CG 3.23Å; E152-R156 WeakPolarHBondContact O-CG 3.33Å; E152-R156 PolarHBondContact O-N 3Å
153	W	93	Very high	96.2	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.015	8%	0.076	C	C	.	.	H	α-helix	trans	-66.1	-39.6	177.4	-76.9	50.6	0	0	0	112.1	D150 R156 L157 K241 F405 N406 N407 Y414	D150-W153 HydrophobicContact CB-CB 4.09Å; D150-W153 HydrophobicContact CB-CG 4.4Å; D150-W153 PolarHBondContact OD1-N 2.76Å; W153-R156 PolarHBondContact O-N 3.38Å; W153-L157 WeakPolarHBondContact O-CB 3.29Å; W153-L157 PolarHBondContact O-N 2.58Å; W153-K241 HydrophobicContact CE3-CD 4.41Å; W153-F405 HydrophobicContact CH2-CB 3.52Å; W153-F405 HydrophobicContact CZ3-CB 3.37Å; W153-N406 WeakPolarHBondContact CH2-O 3.46Å; W153-N407 HydrophobicContact CZ2-CB 4.09Å; W153-Y414 HydrophobicContact CD2-CD2 4.32Å; W153-Y414 AromaticContact CD2-CE2 3.93Å; W153-Y414 HydrophobicContact CD2-CE2 3.93Å; W153-Y414 AromaticContact CE3-CD2 3.89Å; W153-Y414 HydrophobicContact CE3-CD2 3.89Å; W153-Y414 AromaticContact CE3-CE2 3.46Å; W153-Y414 HydrophobicContact CE3-CE2 3.46Å; W153-Y414 VanDerWaalsContact CE3-CE2 3.46Å; W153-Y414 AromaticContact CH2-CD2 3.7Å; W153-Y414 HydrophobicContact CH2-CD2 3.7Å; W153-Y414 HydrophobicContact CH2-CE2 4.17Å; W153-Y414 HydrophobicContact CH2-CG 4.5Å; W153-Y414 HydrophobicContact CZ2-CD2 4.14Å; W153-Y414 AromaticContact CZ3-CD2 3.6Å; W153-Y414 HydrophobicContact CZ3-CD2 3.6Å; W153-Y414 AromaticContact CZ3-CE2 3.63Å; W153-Y414 HydrophobicContact CZ3-CE2 3.63Å; W153-Y414 PolarHBondContact O-OH 3.11Å
154	T	95.8	Very high	96.1	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-61.5	-44.5	173.7	-59.3	0	0	0	0	111.4	I147 D150 I151 R156 L157 L158 I184 L187	I147-T154 HydrophobicContact CD1-CG2 3.72Å; D150-T154 WeakPolarHBondContact O-CB 3.49Å; D150-T154 PolarHBondContact O-N 3.32Å; D150-T154 VanDerWaalsContact O-N 3.08Å; D150-T154 PolarHBondContact O-OG1 2.96Å; I151-T154 PolarHBondContact O-N 3.21Å; T154-R156 PolarHBondContact O-N 2.55Å; T154-L157 PolarHBondContact O-N 3.48Å; T154-L158 VanDerWaalsContact O-CB 3.31Å; T154-L158 WeakPolarHBondContact O-CB 3.31Å; T154-L158 PolarHBondContact O-N 2.98Å; T154-I184 HydrophobicContact CG2-CD1 3.66Å; T154-L187 HydrophobicContact CG2-CD2 4.17Å
155	A	96	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-45.8	177.5	0	0	0	0	0	111.5	W113 F122 I151 E152 L158 R159 L187	W113-A155 HydrophobicContact CB-CB 3.86Å; W113-A155 HydrophobicContact CG-CB 4.04Å; F122-A155 HydrophobicContact CE1-CB 4.24Å; F122-A155 HydrophobicContact CE2-CB 4.12Å; F122-A155 HydrophobicContact CZ-CB 3.65Å; F122-A155 VanDerWaalsContact CZ-O 3.3Å; F122-A155 WeakPolarHBondContact CZ-O 3.28Å; I151-A155 VanDerWaalsContact O-CB 3.28Å; I151-A155 WeakPolarHBondContact O-CB 3.29Å; I151-A155 PolarHBondContact O-N 3.35Å; E152-A155 PolarHBondContact O-N 2.9Å; A155-L158 PolarHBondContact O-N 3.22Å; A155-R159 WeakPolarHBondContact O-CB 3.38Å; A155-R159 PolarHBondContact O-N 3.44Å; A155-L187 HydrophobicContact CB-CD1 3.7Å; A155-L187 HydrophobicContact CB-CD2 3.89Å; A155-L187 HydrophobicContact CB-CG 4.47Å
156	R	94.9	Very high	96	Very high	5 Å²	5	21 Å²	21	2%	0.019	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-45.2	179.6	-67.9	173.9	72.2	-176	6.1	112.5	E152 W153 T154 R159 L160 Y414 D415 E418	E152-R156 VanDerWaalsContact O-CG 3.23Å; E152-R156 WeakPolarHBondContact O-CG 3.33Å; E152-R156 PolarHBondContact O-N 3Å; W153-R156 PolarHBondContact O-N 3.38Å; T154-R156 PolarHBondContact O-N 2.55Å; R156-R159 WeakPolarHBondContact O-CB 3.33Å; R156-R159 PolarHBondContact O-N 3.03Å; R156-L160 WeakPolarHBondContact O-CG 3.31Å; R156-L160 PolarHBondContact O-N 3.39Å; R156-Y414 HydrophobicContact CB-CE1 4.1Å; R156-Y414 VanDerWaalsContact NH1-CD1 3.26Å; R156-Y414 VanDerWaalsContact NH2-CD1 3.3Å; R156-D415 IonicContact CZ-OD1 3.55Å; R156-D415 IonicContact NH1-OD1 3.91Å; R156-D415 PolarHBondContact NH1-OD1 3.05Å; R156-D415 IonicContact NH2-OD1 3.6Å; R156-D415 PolarHBondContact NH2-OD1 2.65Å; R156-E418 IonicContact CZ-OE2 2.83Å; R156-E418 IonicContact NE-OE1 3.4Å; R156-E418 IonicContact NE-OE2 2.8Å; R156-E418 PolarHBondContact NE-OE2 3.29Å; R156-E418 IonicContact NH2-OE2 3.62Å; R156-E418 PolarHBondContact NH2-OE2 2.75Å
157	L	96.3	Very high	96.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.8	-52.7	172.6	170.4	60.3	0	0	0	110.5	L145 W153 T154 R159 L160 I161 I238	L145-L157 HydrophobicContact CD2-CD2 4.33Å; W153-L157 WeakPolarHBondContact O-CB 3.29Å; W153-L157 PolarHBondContact O-N 2.58Å; T154-L157 PolarHBondContact O-N 3.48Å; L157-R159 VanDerWaalsContact C-N 3.29Å; L157-R159 PolarHBondContact O-N 3.36Å; L157-L160 PolarHBondContact O-N 3.48Å; L157-L160 VanDerWaalsContact O-N 3.13Å; L157-I161 HydrophobicContact CD1-CG2 4.11Å; L157-I161 WeakPolarHBondContact O-CG1 3.31Å; L157-I161 PolarHBondContact O-N 2.96Å; L157-I238 HydrophobicContact CD1-CG2 4.35Å; L157-I238 HydrophobicContact CD2-CG2 3.74Å
158	L	97.1	Very high	96.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.5	-42.9	-178.8	-174.9	58.1	0	0	0	111.1	T154 A155 L160 I161 Y162 Y168 I170 L187 F191 V195	T154-L158 VanDerWaalsContact O-CB 3.31Å; T154-L158 WeakPolarHBondContact O-CB 3.31Å; T154-L158 PolarHBondContact O-N 2.98Å; A155-L158 PolarHBondContact O-N 3.22Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 2.94Å; L158-I161 HydrophobicContact CD1-CD1 4.49Å; L158-I161 HydrophobicContact CD1-CG1 4.37Å; L158-I161 PolarHBondContact O-N 3.46Å; L158-Y162 WeakPolarHBondContact O-CA 3.31Å; L158-Y162 WeakPolarHBondContact O-CB 3.4Å; L158-Y162 PolarHBondContact O-N 2.91Å; L158-Y168 HydrophobicContact CD1-CD1 3.83Å; L158-Y168 HydrophobicContact CD1-CE1 4.31Å; L158-Y168 HydrophobicContact CD1-CG 4.16Å; L158-I170 HydrophobicContact CD2-CD1 4.23Å; L158-L187 HydrophobicContact CD2-CD2 4.28Å; L158-L187 HydrophobicContact CD2-CG 4.26Å; L158-F191 HydrophobicContact CB-CE2 4.09Å; L158-F191 HydrophobicContact CB-CZ 4.27Å; L158-F191 HydrophobicContact CD2-CD2 3.35Å; L158-F191 HydrophobicContact CD2-CE2 3.42Å; L158-F191 VanDerWaalsContact CD2-CE2 3.42Å; L158-F191 HydrophobicContact CD2-CG 4.15Å; L158-F191 HydrophobicContact CD2-CZ 4.25Å; L158-F191 HydrophobicContact CG-CD2 3.85Å; L158-F191 HydrophobicContact CG-CE1 4.48Å; L158-F191 HydrophobicContact CG-CE2 3.59Å; L158-F191 HydrophobicContact CG-CG 4.39Å; L158-F191 HydrophobicContact CG-CZ 3.91Å; L158-V195 HydrophobicContact CD2-CG1 4.08Å
159	R	95.8	Very high	96.3	Very high	5 Å²	5	13.4 Å²	13.4	2%	0.019	7%	0.071	C	C	.	.	H	α-helix	trans	-53.3	-48	175.2	174	170.4	67.4	-165.9	6.6	112.1	R111 F122 I126 A155 R156 L157 F191 E418	R111-R159 PolarHBondContact O-NH1 3.3Å; R111-R159 VanDerWaalsContact O-NH1 3.17Å; F122-R159 HydrophobicContact CE1-CB 3.89Å; F122-R159 HydrophobicContact CE1-CG 4.46Å; F122-R159 HydrophobicContact CZ-CB 3.85Å; F122-R159 HydrophobicContact CZ-CG 4.47Å; I126-R159 HydrophobicContact CD1-CG 4.49Å; I126-R159 HydrophobicContact CG1-CG 4.48Å; I126-R159 HydrophobicContact CG2-CG 3.54Å; I126-R159 WeakPolarHBondContact CG2-O 3.47Å; A155-R159 WeakPolarHBondContact O-CB 3.38Å; A155-R159 PolarHBondContact O-N 3.44Å; R156-R159 WeakPolarHBondContact O-CB 3.33Å; R156-R159 PolarHBondContact O-N 3.03Å; L157-R159 VanDerWaalsContact C-N 3.29Å; L157-R159 PolarHBondContact O-N 3.36Å; R159-F191 HydrophobicContact CB-CZ 4.12Å; R159-E418 IonicContact CZ-OE1 3.65Å; R159-E418 IonicContact NE-OE1 2.91Å; R159-E418 PolarHBondContact NE-OE1 2.86Å; R159-E418 IonicContact NH2-OE1 3.58Å; R159-E418 PolarHBondContact NH2-OE1 3.26Å; R159-E418 IonicContact NH2-OE2 2.62Å; R159-E418 PolarHBondContact NH2-OE2 3.06Å
160	L	96.4	Very high	96.4	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-68.6	-38.1	-176	-66.7	169.2	0	0	0	112.7	R156 L157 L158 R163 L243 P244 E418 I421 L422	R156-L160 WeakPolarHBondContact O-CG 3.31Å; R156-L160 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 3.48Å; L157-L160 VanDerWaalsContact O-N 3.13Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 2.94Å; L160-R163 PolarHBondContact O-NH1 3.19Å; L160-L243 HydrophobicContact CD1-CD2 3.46Å; L160-L243 VanDerWaalsContact CD1-CD2 3.46Å; L160-P244 HydrophobicContact CB-CG 3.87Å; L160-P244 HydrophobicContact CD1-CG 4.24Å; L160-E418 HydrophobicContact CD1-CB 4.09Å; L160-E418 HydrophobicContact CD1-CG 3.97Å; L160-E418 HydrophobicContact CD2-CG 3.81Å; L160-E418 HydrophobicContact CG-CG 4.25Å; L160-I421 HydrophobicContact CD2-CB 4.26Å; L160-I421 HydrophobicContact CD2-CG2 3.98Å; L160-L422 HydrophobicContact CD2-CD2 3.83Å; L160-L422 HydrophobicContact CD2-CG 3.86Å
161	I	97.5	Very high	96.7	Very high	6 Å²	6	9.8 Å²	9.8	3%	0.031	5%	0.052	C	C	.	.	H	α-helix	trans	-88.6	-14.2	-177.8	68.3	173.6	0	0	0	113.6	Y143 L145 L157 L158 Y168 I238 P244 F401	Y143-I161 HydrophobicContact CD1-CD1 4.25Å; Y143-I161 HydrophobicContact CG-CD1 4.2Å; L145-I161 HydrophobicContact CD1-CD1 4.35Å; L157-I161 HydrophobicContact CD1-CG2 4.11Å; L157-I161 WeakPolarHBondContact O-CG1 3.31Å; L157-I161 PolarHBondContact O-N 2.96Å; L158-I161 HydrophobicContact CD1-CD1 4.49Å; L158-I161 HydrophobicContact CD1-CG1 4.37Å; L158-I161 PolarHBondContact O-N 3.46Å; I161-Y168 HydrophobicContact CB-CE1 4.47Å; I161-Y168 HydrophobicContact CD1-CD1 4.07Å; I161-Y168 HydrophobicContact CD1-CE1 3.89Å; I161-Y168 HydrophobicContact CG1-CD1 4.38Å; I161-Y168 HydrophobicContact CG1-CE1 3.8Å; I161-Y168 PolarHBondContact O-OH 2.93Å; I161-I238 HydrophobicContact CD1-CD1 4.06Å; I161-P244 HydrophobicContact CG2-CB 4.46Å; I161-P244 HydrophobicContact CG2-CG 4.21Å; I161-F401 HydrophobicContact CG2-CE1 3.84Å; I161-F401 HydrophobicContact CG2-CZ 4.14Å
162	Y	97.9	Very high	96.9	Very high	16 Å²	16	8.4 Å²	8.4	6%	0.063	5%	0.045	C	C	.	.			trans	-67.1	132	-172.4	178.1	-98.8	0	0	0	112.2	I126 V130 L158 Y168 F191 N194 V195	I126-Y162 HydrophobicContact CD1-CD1 4Å; V130-Y162 HydrophobicContact CG2-CD1 4.38Å; V130-Y162 HydrophobicContact CG2-CE1 4.42Å; L158-Y162 WeakPolarHBondContact O-CA 3.31Å; L158-Y162 WeakPolarHBondContact O-CB 3.4Å; L158-Y162 PolarHBondContact O-N 2.91Å; Y162-Y168 WeakPolarHBondContact CA-OH 3.41Å; Y162-Y168 HydrophobicContact CD2-CD2 4.29Å; Y162-Y168 AromaticContact CD2-CE2 3.8Å; Y162-Y168 HydrophobicContact CD2-CE2 3.8Å; Y162-Y168 HydrophobicContact CE2-CE2 4.25Å; Y162-F191 AromaticContact CD1-CD1 3.6Å; Y162-F191 HydrophobicContact CD1-CD1 3.6Å; Y162-F191 HydrophobicContact CD1-CE1 4.01Å; Y162-F191 HydrophobicContact CD2-CB 3.98Å; Y162-F191 AromaticContact CD2-CD1 3.51Å; Y162-F191 HydrophobicContact CD2-CD1 3.51Å; Y162-F191 HydrophobicContact CD2-CE1 4.26Å; Y162-F191 AromaticContact CD2-CG 4Å; Y162-F191 HydrophobicContact CD2-CG 4Å; Y162-F191 AromaticContact CE1-CD1 3.98Å; Y162-F191 HydrophobicContact CE1-CD1 3.98Å; Y162-F191 HydrophobicContact CE2-CB 3.72Å; Y162-F191 AromaticContact CE2-CD1 3.91Å; Y162-F191 HydrophobicContact CE2-CD1 3.91Å; Y162-F191 HydrophobicContact CE2-CG 4.21Å; Y162-F191 AromaticContact CG-CD1 3.34Å; Y162-F191 HydrophobicContact CG-CD1 3.34Å; Y162-F191 AromaticContact CG-CE1 3.72Å; Y162-F191 HydrophobicContact CG-CE1 3.72Å; Y162-F191 HydrophobicContact CG-CG 4.27Å; Y162-F191 PolarHBondContact OH-O 2.95Å; Y162-N194 WeakPolarHBondContact CE2-ND2 3.45Å; Y162-N194 PolarHBondContact OH-OD1 2.85Å; Y162-V195 HydrophobicContact CD2-CG2 4.11Å; Y162-V195 HydrophobicContact CE2-CG2 3.95Å
163	R	97.4	Very high	97.1	Very high	4 Å²	4	7 Å²	7	2%	0.015	4%	0.039	C	C	.	.			trans	-141.4	145.1	166.5	-63.9	-57	-176.1	-92.5	3.2	109	L132 E136 L160 N165 N166 Y168 N194 N248 M425	L132-R163 HydrophobicContact CD2-CB 4.02Å; L132-R163 HydrophobicContact CD2-CG 3.88Å; E136-R163 IonicContact OE1-NE 3.79Å; E136-R163 PolarHBondContact OE1-NE 3.22Å; L160-R163 PolarHBondContact O-NH1 3.19Å; R163-N165 VanDerWaalsContact C-N 3.27Å; R163-N165 WeakPolarHBondContact CB-OD1 3.38Å; R163-N165 PolarHBondContact O-N 2.8Å; R163-N166 HydrophobicContact CB-CB 4.19Å; R163-N166 PolarHBondContact O-N 2.68Å; R163-Y168 PolarHBondContact N-OH 3.31Å; R163-N194 PolarHBondContact O-ND2 2.78Å; R163-N194 VanDerWaalsContact O-ND2 3.09Å; R163-N248 HydrophobicContact CG-CB 3.87Å; R163-M425 VanDerWaalsContact NH2-CE 3.28Å; R163-M425 PolarHBondContact NH2-SD 2.87Å; R163-M425 VanDerWaalsContact NH2-SD 3.41Å
164	P	96.6	Very high	97.4	Very high	65 Å²	65	13.5 Å²	13.5	42%	0.422	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23	-175.6	26.4	-34.4	0	0	0	114	L132 N194	L132-P164 HydrophobicContact CD1-CG 3.93Å; P164-N194 PolarHBondContact O-ND2 2.9Å
165	N	96.7	Very high	97.4	Very high	28 Å²	28	19 Å²	19	15%	0.15	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-19.8	177.4	65.2	-57.7	0	0	0	113.4	L132 E136 P140 R163 V230	L132-N165 HydrophobicContact CD1-CB 4.37Å; L132-N165 VanDerWaalsContact CD1-OD1 3.27Å; L132-N165 WeakPolarHBondContact CD1-OD1 3.42Å; E136-N165 PolarHBondContact O-ND2 3.05Å; P140-N165 WeakPolarHBondContact CB-O 3.2Å; R163-N165 VanDerWaalsContact C-N 3.27Å; R163-N165 WeakPolarHBondContact CB-OD1 3.38Å; R163-N165 PolarHBondContact O-N 2.8Å; N165-V230 VanDerWaalsContact O-CG1 3.23Å; N165-V230 WeakPolarHBondContact O-CG1 3.31Å
166	N	98.5	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-77.4	168.8	177.2	-75.2	-8.3	0	0	0	111.7	I141 R163 Y168 N194 N248	I141-N166 PolarHBondContact N-OD1 2.89Å; I141-N166 WeakPolarHBondContact O-CA 3.49Å; I141-N166 WeakPolarHBondContact O-CB 3.42Å; R163-N166 HydrophobicContact CB-CB 4.19Å; R163-N166 PolarHBondContact O-N 2.68Å; N166-Y168 HydrophobicContact CB-CE2 3.61Å; N166-Y168 WeakPolarHBondContact CB-OH 3.49Å; N166-Y168 PolarHBondContact ND2-OH 2.84Å; N166-Y168 VanDerWaalsContact ND2-OH 3.16Å; N166-N194 WeakPolarHBondContact O-CB 3.21Å; N166-N194 PolarHBondContact O-ND2 3.46Å; N166-N248 PolarHBondContact ND2-OD1 3.36Å
167	L	98.6	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.7	178.5	-165.2	69.1	0	0	0	111.2	I141 A142 Y143 N194 L224 N227 V230	I141-L167 PolarHBondContact O-N 2.94Å; A142-L167 CarbonylContact C-O 3.52Å; A142-L167 WeakPolarHBondContact CA-O 3.49Å; A142-L167 HydrophobicContact CB-CB 4.5Å; Y143-L167 PolarHBondContact N-O 3.26Å; L167-N194 HydrophobicContact CD1-CB 4.27Å; L167-L224 HydrophobicContact CB-CD2 4.1Å; L167-L224 HydrophobicContact CD2-CB 4.22Å; L167-L224 HydrophobicContact CD2-CD2 3.47Å; L167-L224 VanDerWaalsContact CD2-CD2 3.47Å; L167-L224 HydrophobicContact CD2-CG 4.45Å; L167-L224 HydrophobicContact CG-CD2 3.45Å; L167-L224 VanDerWaalsContact CG-CD2 3.45Å; L167-N227 HydrophobicContact CD2-CB 3.49Å; L167-N227 VanDerWaalsContact CD2-CB 3.49Å; L167-V230 HydrophobicContact CB-CB 4.25Å; L167-V230 HydrophobicContact CB-CG1 4.13Å; L167-V230 HydrophobicContact CD1-CB 4.39Å; L167-V230 HydrophobicContact CD1-CG2 4.16Å; L167-V230 HydrophobicContact CD2-CB 4.47Å
168	Y	98.7	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.2	-176.2	-51.8	-96.6	0	0	0	109.4	Y143 L158 I161 Y162 R163 N166 N194 V195 L196	Y143-Y168 AromaticContact CD2-CD1 3.6Å; Y143-Y168 HydrophobicContact CD2-CD1 3.6Å; Y143-Y168 AromaticContact CD2-CE1 3.2Å; Y143-Y168 HydrophobicContact CD2-CE1 3.2Å; Y143-Y168 AromaticContact CD2-CZ 3.92Å; Y143-Y168 AromaticContact CE2-CE1 3.69Å; Y143-Y168 HydrophobicContact CE2-CE1 3.69Å; Y143-Y168 HydrophobicContact CG-CD1 4Å; Y143-Y168 AromaticContact CG-CE1 3.96Å; Y143-Y168 HydrophobicContact CG-CE1 3.96Å; L158-Y168 HydrophobicContact CD1-CD1 3.83Å; L158-Y168 HydrophobicContact CD1-CE1 4.31Å; L158-Y168 HydrophobicContact CD1-CG 4.16Å; I161-Y168 HydrophobicContact CB-CE1 4.47Å; I161-Y168 HydrophobicContact CD1-CD1 4.07Å; I161-Y168 HydrophobicContact CD1-CE1 3.89Å; I161-Y168 HydrophobicContact CG1-CD1 4.38Å; I161-Y168 HydrophobicContact CG1-CE1 3.8Å; I161-Y168 PolarHBondContact O-OH 2.93Å; Y162-Y168 WeakPolarHBondContact CA-OH 3.41Å; Y162-Y168 HydrophobicContact CD2-CD2 4.29Å; Y162-Y168 AromaticContact CD2-CE2 3.8Å; Y162-Y168 HydrophobicContact CD2-CE2 3.8Å; Y162-Y168 HydrophobicContact CE2-CE2 4.25Å; R163-Y168 PolarHBondContact N-OH 3.31Å; N166-Y168 HydrophobicContact CB-CE2 3.61Å; N166-Y168 WeakPolarHBondContact CB-OH 3.49Å; N166-Y168 PolarHBondContact ND2-OH 2.84Å; N166-Y168 VanDerWaalsContact ND2-OH 3.16Å; Y168-N194 PolarHBondContact N-O 2.75Å; Y168-V195 HydrophobicContact CD2-CG2 3.92Å; Y168-V195 HydrophobicContact CG-CG2 4.28Å; Y168-L196 WeakPolarHBondContact O-CB 3.3Å; Y168-L196 PolarHBondContact O-N 2.85Å
169	C	98.7	Very high	97.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.7	166.8	174.5	0	0	0	0	109.1	Y143 L145 L196 C220 L224	Y143-C169 PolarHBondContact O-N 3.28Å; L145-C169 PolarHBondContact N-O 3.25Å; C169-L196 CarbonylContact C-O 3.56Å; C169-L196 WeakPolarHBondContact CA-O 3.13Å; C169-L196 HydrophobicContact CB-CB 4.49Å; C169-C220 HydrophobicContact CB-CB 3.58Å; C169-C220 WeakPolarHBondContact CB-SG 3.32Å; C169-C220 PolarHBondContact O-SG 3.25Å; C169-C220 WeakPolarHBondContact SG-CA 3.19Å; C169-C220 WeakPolarHBondContact SG-CB 3.45Å; C169-C220 CovalentContact SG-SG 2.05Å; C169-C220 PolarHBondContact SG-SG 3.35Å; C169-L224 HydrophobicContact CB-CD1 3.79Å; C169-L224 HydrophobicContact CB-CD2 3.79Å; C169-L224 HydrophobicContact CB-CG 3.66Å
170	I	98.6	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.8	177.2	-50.2	177.1	0	0	0	108.7	L145 I147 L158 V172 I184 V195 L196 V197 V198	L145-I170 HydrophobicContact CB-CG1 4.31Å; L145-I170 HydrophobicContact CB-CG2 4.4Å; L145-I170 HydrophobicContact CD2-CG1 4.42Å; I147-I170 HydrophobicContact CD1-CG2 3.37Å; I147-I170 HydrophobicContact CG1-CG2 3.79Å; L158-I170 HydrophobicContact CD2-CD1 4.23Å; I170-V172 HydrophobicContact CG2-CG2 4.33Å; I170-I184 HydrophobicContact CB-CG2 4.15Å; I170-I184 HydrophobicContact CD1-CG2 4.09Å; I170-I184 HydrophobicContact CG2-CG2 3.68Å; I170-V195 HydrophobicContact CD1-CG1 3.83Å; I170-V195 HydrophobicContact CG1-CG1 4.31Å; I170-L196 PolarHBondContact N-O 3.49Å; I170-V197 HydrophobicContact CB-CG2 4.43Å; I170-V197 WeakPolarHBondContact O-CA 3.44Å; I170-V198 PolarHBondContact O-N 3.27Å
171	H	98.5	Very high	97.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119	167.6	-179.5	-72.8	0	0	0	109.1	L145 L146 I147 V198 I204	L145-H171 PolarHBondContact O-N 2.95Å; L146-H171 HydrophobicContact CD1-CB 3.86Å; L146-H171 WeakPolarHBondContact CD1-ND1 3.18Å; I147-H171 WeakPolarHBondContact CG1-O 3.16Å; I147-H171 PolarHBondContact N-O 2.84Å; H171-V198 HydrophobicContact CB-CG2 4.05Å; H171-I204 PolarHBondContact CE1-O 2.86Å; H171-I204 WeakPolarHBondContact NE2-CB 3.27Å; H171-I204 PolarHBondContact NE2-N 2.93Å
172	V	98.4	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.5	171.8	-179.7	0	0	0	0	108.4	I147 I170 R174 F180 H181 I184 S203	I147-V172 HydrophobicContact CD1-CG2 4.08Å; I147-V172 HydrophobicContact CG1-CG2 4.06Å; I147-V172 WeakPolarHBondContact O-CA 3.3Å; I170-V172 HydrophobicContact CG2-CG2 4.33Å; V172-R174 PolarHBondContact O-N 3.03Å; V172-F180 HydrophobicContact CG1-CD1 3.61Å; V172-F180 HydrophobicContact CG1-CE1 3.8Å; V172-H181 HydrophobicContact CG1-CB 4.33Å; V172-I184 HydrophobicContact CG2-CB 4.02Å; V172-I184 HydrophobicContact CG2-CG1 3.94Å; V172-I184 HydrophobicContact CG2-CG2 3.84Å; V172-S203 WeakPolarHBondContact O-CB 3.3Å; V172-S203 PolarHBondContact O-OG 2.91Å
173	D	98.1	Very high	97.8	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.048	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-50.5	130.6	175.9	-173.5	-20.1	0	0	0	110.6	I147 K175 S176 R200 V206	I147-D173 PolarHBondContact O-N 3.44Å; D173-K175 PolarHBondContact O-N 3.42Å; D173-K175 VanDerWaalsContact O-N 3.09Å; D173-K175 WeakPolarHBondContact OD1-CE 3.49Å; D173-K175 WeakPolarHBondContact OD1-CG 3.44Å; D173-K175 PolarHBondContact OD1-N 3.37Å; D173-K175 WeakPolarHBondContact OD2-CE 3.32Å; D173-K175 IonicContact OD2-NZ 3.45Å; D173-K175 PolarHBondContact OD2-NZ 3.24Å; D173-S176 VanDerWaalsContact O-CB 3.29Å; D173-S176 WeakPolarHBondContact O-CB 3.46Å; D173-S176 PolarHBondContact O-N 3.4Å; D173-S176 PolarHBondContact O-OG 3.31Å; D173-R200 PolarHBondContact O-NH1 3.19Å; D173-V206 HydrophobicContact CB-CG2 4.49Å; D173-V206 PolarHBondContact OD1-N 2.65Å; D173-V206 VanDerWaalsContact OD1-N 3.1Å
174	R	98.1	Very high	97.8	Very high	141 Å²	141	39.1 Å²	39.1	53%	0.532	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.2	179.1	-168.8	168.2	179	169.5	1.2	113	V172 S176 R200 S203 I204 R205	V172-R174 PolarHBondContact O-N 3.03Å; R174-S176 VanDerWaalsContact C-N 3.32Å; R174-R200 PolarHBondContact O-NH1 3.45Å; R174-R200 PolarHBondContact O-NH2 2.98Å; R174-R200 VanDerWaalsContact O-NH2 3.12Å; R174-S203 WeakPolarHBondContact CD-O 3.41Å; R174-I204 PolarHBondContact N-O 3.29Å; R174-R205 HydrophobicContact CB-CB 4.21Å
175	K	97.6	Very high	97.9	Very high	115 Å²	115	37.4 Å²	37.4	50%	0.5	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.7	175.3	-60	179.1	-57.7	-175.7	0	113.5	D173 R205 V206	D173-K175 PolarHBondContact O-N 3.42Å; D173-K175 VanDerWaalsContact O-N 3.09Å; D173-K175 WeakPolarHBondContact OD1-CE 3.49Å; D173-K175 WeakPolarHBondContact OD1-CG 3.44Å; D173-K175 PolarHBondContact OD1-N 3.37Å; D173-K175 WeakPolarHBondContact OD2-CE 3.32Å; D173-K175 IonicContact OD2-NZ 3.45Å; D173-K175 PolarHBondContact OD2-NZ 3.24Å; K175-R205 HydrophobicContact CD-CG 4.06Å; K175-R205 HydrophobicContact CG-CG 3.77Å; K175-V206 WeakPolarHBondContact CE-O 3.43Å; K175-V206 PolarHBondContact NZ-O 3.13Å
176	S	97.5	Very high	98	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.049	18%	0.177	C	C	.	.	S	Bend	trans	-63.4	146.8	177.9	-57.3	0	0	0	0	110	Y148 D173 R174 R200	Y148-S176 VanDerWaalsContact C-OG 3.29Å; Y148-S176 VanDerWaalsContact CA-OG 3.29Å; Y148-S176 WeakPolarHBondContact CA-OG 3.39Å; Y148-S176 WeakPolarHBondContact O-CB 3.37Å; Y148-S176 PolarHBondContact O-OG 2.93Å; D173-S176 VanDerWaalsContact O-CB 3.29Å; D173-S176 WeakPolarHBondContact O-CB 3.46Å; D173-S176 PolarHBondContact O-N 3.4Å; D173-S176 PolarHBondContact O-OG 3.31Å; R174-S176 VanDerWaalsContact C-N 3.32Å; S176-R200 PolarHBondContact O-NH1 3.3Å; S176-R200 PolarHBondContact O-NH2 3.38Å
177	P	97.6	Very high	97.9	Very high	64 Å²	64	39.3 Å²	39.3	42%	0.416	18%	0.177	S	C	.	.			trans	-63.5	151.5	179.5	26.7	-34.5	0	0	0	111.5	W179 F180	P177-W179 VanDerWaalsContact C-N 3.32Å; P177-W179 HydrophobicContact CB-CG 4.49Å; P177-W179 HydrophobicContact CG-CZ2 4.03Å; P177-W179 PolarHBondContact O-N 2.97Å; P177-F180 HydrophobicContact CG-CB 4.22Å; P177-F180 WeakPolarHBondContact O-CB 3.49Å; P177-F180 PolarHBondContact O-N 3.44Å
178	E	97.2	Very high	97.9	Very high	86 Å²	86	39.9 Å²	39.9	40%	0.402	18%	0.181	S	C	.	.	H	α-helix	trans	-58.2	-42.4	-173.1	-166.6	60.9	-154	0	0	112.9	F180 H181 E182 R200	E178-F180 PolarHBondContact O-N 2.77Å; E178-H181 WeakPolarHBondContact O-CB 3.43Å; E178-H181 PolarHBondContact O-N 2.83Å; E178-E182 PolarHBondContact O-N 3.37Å; E178-R200 IonicContact OE1-NE 3.18Å; E178-R200 IonicContact OE2-CZ 3.7Å; E178-R200 IonicContact OE2-NE 3.28Å; E178-R200 PolarHBondContact OE2-NE 3.12Å; E178-R200 IonicContact OE2-NH2 2.71Å; E178-R200 PolarHBondContact OE2-NH2 2.77Å
179	W	96.7	Very high	97.8	Very high	151 Å²	151	48.9 Å²	48.9	57%	0.572	22%	0.215	S	C	*	.	H	α-helix	trans	-54.7	-31.6	177.8	71.1	-102.2	0	0	0	112.6	P177 E182 E183	P177-W179 VanDerWaalsContact C-N 3.32Å; P177-W179 HydrophobicContact CB-CG 4.49Å; P177-W179 HydrophobicContact CG-CZ2 4.03Å; P177-W179 PolarHBondContact O-N 2.97Å; W179-E182 PolarHBondContact O-N 3.37Å; W179-E183 HydrophobicContact CE3-CG 4.2Å; W179-E183 WeakPolarHBondContact O-CG 3.05Å; W179-E183 PolarHBondContact O-N 3.17Å
180	F	97.4	Very high	97.7	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	22%	0.218	C	C	.	.	H	α-helix	trans	-71.5	-42.1	179.7	179.3	-112.1	0	0	0	111.1	I147 D149 I151 V172 P177 E178 E182 E183 I184	I147-F180 HydrophobicContact CD1-CE1 4.2Å; I147-F180 HydrophobicContact CD1-CZ 4.01Å; I147-F180 HydrophobicContact CG1-CE1 4.34Å; I147-F180 HydrophobicContact CG1-CZ 4.5Å; D149-F180 WeakPolarHBondContact O-CZ 3.44Å; I151-F180 HydrophobicContact CB-CD2 4.4Å; I151-F180 HydrophobicContact CB-CE2 4.06Å; V172-F180 HydrophobicContact CG1-CD1 3.61Å; V172-F180 HydrophobicContact CG1-CE1 3.8Å; P177-F180 HydrophobicContact CG-CB 4.22Å; P177-F180 WeakPolarHBondContact O-CB 3.49Å; P177-F180 PolarHBondContact O-N 3.44Å; E178-F180 PolarHBondContact O-N 2.77Å; F180-E182 VanDerWaalsContact C-N 3.34Å; F180-E183 PolarHBondContact O-N 2.93Å; F180-I184 HydrophobicContact CE1-CG1 4.27Å; F180-I184 HydrophobicContact CE2-CD1 4.33Å; F180-I184 HydrophobicContact CE2-CG1 4.23Å; F180-I184 HydrophobicContact CZ-CD1 4.14Å; F180-I184 HydrophobicContact CZ-CG1 4.04Å; F180-I184 VanDerWaalsContact O-CG1 3.31Å; F180-I184 WeakPolarHBondContact O-CG1 3.38Å; F180-I184 PolarHBondContact O-N 3.23Å
181	H	98.3	Very high	97.6	Very high	15 Å²	15	50 Å²	50	7%	0.069	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-45.2	172.8	-177.8	-77.3	0	0	0	110.8	V172 E178 E183 I184 V185 V198	V172-H181 HydrophobicContact CG1-CB 4.33Å; E178-H181 WeakPolarHBondContact O-CB 3.43Å; E178-H181 PolarHBondContact O-N 2.83Å; H181-E183 VanDerWaalsContact C-N 3.34Å; H181-E183 PolarHBondContact O-N 3.49Å; H181-I184 WeakPolarHBondContact O-CB 3.47Å; H181-I184 PolarHBondContact O-N 2.86Å; H181-I184 VanDerWaalsContact O-N 3.11Å; H181-V185 WeakPolarHBondContact O-CG2 3.31Å; H181-V185 PolarHBondContact O-N 3.49Å; H181-V198 PolarHBondContact NE2-O 3.38Å
182	E	97.5	Very high	97.4	Very high	98 Å²	98	51.2 Å²	51.2	46%	0.458	23%	0.233	S	C	.	.	H	α-helix	trans	-59.8	-41.6	177.2	-67.2	179.5	175.3	0	0	112.8	E178 W179 F180 I184 V185 K186	E178-E182 PolarHBondContact O-N 3.37Å; W179-E182 PolarHBondContact O-N 3.37Å; F180-E182 VanDerWaalsContact C-N 3.34Å; E182-I184 VanDerWaalsContact C-N 3.34Å; E182-V185 PolarHBondContact O-N 3.29Å; E182-K186 WeakPolarHBondContact O-CG 3.37Å; E182-K186 PolarHBondContact O-N 2.83Å
183	E	97.4	Very high	97.3	Very high	39 Å²	39	57.9 Å²	57.9	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-36.1	175.3	-75.5	-57.3	121.6	0	0	112.2	I151 W179 F180 H181 K186 L187	I151-E183 HydrophobicContact CD1-CB 3.98Å; I151-E183 HydrophobicContact CG1-CB 4.07Å; W179-E183 HydrophobicContact CE3-CG 4.2Å; W179-E183 WeakPolarHBondContact O-CG 3.05Å; W179-E183 PolarHBondContact O-N 3.17Å; F180-E183 PolarHBondContact O-N 2.93Å; H181-E183 VanDerWaalsContact C-N 3.34Å; H181-E183 PolarHBondContact O-N 3.49Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.32Å; E183-K186 VanDerWaalsContact OE1-CD 3.32Å; E183-K186 WeakPolarHBondContact OE1-CD 3.16Å; E183-K186 WeakPolarHBondContact OE1-CE 3.21Å; E183-K186 IonicContact OE1-NZ 2.81Å; E183-K186 PolarHBondContact OE1-NZ 3.35Å; E183-L187 WeakPolarHBondContact O-CB 3.36Å; E183-L187 PolarHBondContact O-N 3.36Å
184	I	98.1	Very high	97.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-38.8	173.6	-68.4	-67.2	0	0	0	111.5	I147 I151 T154 I170 V172 F180 H181 E182 K186 L187 S188 V197	I147-I184 HydrophobicContact CD1-CD1 3.4Å; I147-I184 HydrophobicContact CD1-CG1 3.84Å; I151-I184 HydrophobicContact CD1-CD1 3.55Å; I151-I184 HydrophobicContact CD1-CG1 4.17Å; T154-I184 HydrophobicContact CG2-CD1 3.66Å; I170-I184 HydrophobicContact CB-CG2 4.15Å; I170-I184 HydrophobicContact CD1-CG2 4.09Å; I170-I184 HydrophobicContact CG2-CG2 3.68Å; V172-I184 HydrophobicContact CG2-CB 4.02Å; V172-I184 HydrophobicContact CG2-CG1 3.94Å; V172-I184 HydrophobicContact CG2-CG2 3.84Å; F180-I184 HydrophobicContact CE1-CG1 4.27Å; F180-I184 HydrophobicContact CE2-CD1 4.33Å; F180-I184 HydrophobicContact CE2-CG1 4.23Å; F180-I184 HydrophobicContact CZ-CD1 4.14Å; F180-I184 HydrophobicContact CZ-CG1 4.04Å; F180-I184 VanDerWaalsContact O-CG1 3.31Å; F180-I184 WeakPolarHBondContact O-CG1 3.38Å; F180-I184 PolarHBondContact O-N 3.23Å; H181-I184 WeakPolarHBondContact O-CB 3.47Å; H181-I184 PolarHBondContact O-N 2.86Å; H181-I184 VanDerWaalsContact O-N 3.11Å; E182-I184 VanDerWaalsContact C-N 3.34Å; I184-K186 VanDerWaalsContact C-N 3.33Å; I184-L187 HydrophobicContact CD1-CD2 4.29Å; I184-L187 PolarHBondContact O-N 3.35Å; I184-S188 PolarHBondContact O-N 3.13Å; I184-V197 HydrophobicContact CG2-CG1 3.98Å; I184-V197 HydrophobicContact CG2-CG2 3.98Å
185	V	98.1	Very high	97.3	Very high	30 Å²	30	51.9 Å²	51.9	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-38	172.7	172.9	0	0	0	0	111.4	H181 E182 S188 R189 V197	H181-V185 WeakPolarHBondContact O-CG2 3.31Å; H181-V185 PolarHBondContact O-N 3.49Å; E182-V185 PolarHBondContact O-N 3.29Å; V185-S188 PolarHBondContact O-OG 2.71Å; V185-R189 WeakPolarHBondContact O-CD 3.5Å; V185-R189 VanDerWaalsContact O-CG 3.27Å; V185-R189 WeakPolarHBondContact O-CG 3.16Å; V185-R189 PolarHBondContact O-N 2.84Å; V185-V197 HydrophobicContact CG2-CB 4.35Å; V185-V197 HydrophobicContact CG2-CG1 4.06Å
186	K	97.7	Very high	97.3	Very high	68 Å²	68	48.2 Å²	48.2	30%	0.296	24%	0.238	S	C	.	.	H	α-helix	trans	-66.4	-40	173.6	-73.1	172.5	-158.7	165.7	0	111.9	W113 S116 E182 E183 I184 C190	W113-K186 HydrophobicContact CZ2-CB 4.5Å; S116-K186 WeakPolarHBondContact OG-CB 3.12Å; E182-K186 WeakPolarHBondContact O-CG 3.37Å; E182-K186 PolarHBondContact O-N 2.83Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.32Å; E183-K186 VanDerWaalsContact OE1-CD 3.32Å; E183-K186 WeakPolarHBondContact OE1-CD 3.16Å; E183-K186 WeakPolarHBondContact OE1-CE 3.21Å; E183-K186 IonicContact OE1-NZ 2.81Å; E183-K186 PolarHBondContact OE1-NZ 3.35Å; I184-K186 VanDerWaalsContact C-N 3.33Å; K186-C190 PolarHBondContact O-N 3.19Å
187	L	97.8	Very high	97.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-44.2	176.4	179.6	66.2	0	0	0	111.5	W113 I151 T154 A155 L158 E183 I184 R189 C190 F191	W113-L187 HydrophobicContact CD2-CD1 4.02Å; W113-L187 HydrophobicContact CE3-CD1 3.84Å; W113-L187 HydrophobicContact CH2-CB 4.29Å; W113-L187 HydrophobicContact CH2-CD1 4.04Å; W113-L187 HydrophobicContact CZ2-CB 4.1Å; W113-L187 HydrophobicContact CZ2-CD1 4.21Å; W113-L187 HydrophobicContact CZ3-CD1 3.85Å; I151-L187 HydrophobicContact CD1-CB 4.26Å; I151-L187 HydrophobicContact CD1-CD2 3.94Å; T154-L187 HydrophobicContact CG2-CD2 4.17Å; A155-L187 HydrophobicContact CB-CD1 3.7Å; A155-L187 HydrophobicContact CB-CD2 3.89Å; A155-L187 HydrophobicContact CB-CG 4.47Å; L158-L187 HydrophobicContact CD2-CD2 4.28Å; L158-L187 HydrophobicContact CD2-CG 4.26Å; E183-L187 WeakPolarHBondContact O-CB 3.36Å; E183-L187 PolarHBondContact O-N 3.36Å; I184-L187 HydrophobicContact CD1-CD2 4.29Å; I184-L187 PolarHBondContact O-N 3.35Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 3.18Å; L187-C190 VanDerWaalsContact O-CB 3.24Å; L187-C190 WeakPolarHBondContact O-CB 3.45Å; L187-C190 PolarHBondContact O-N 3.12Å; L187-F191 HydrophobicContact CD1-CD2 4.27Å; L187-F191 HydrophobicContact CD1-CE2 3.82Å; L187-F191 HydrophobicContact CG-CD2 4.46Å; L187-F191 HydrophobicContact CG-CE2 4.31Å; L187-F191 WeakPolarHBondContact O-CD2 3.14Å; L187-F191 PolarHBondContact O-N 3.15Å
188	S	97.8	Very high	97.4	Very high	11 Å²	11	46 Å²	46	8%	0.077	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-43.3	179	70.7	0	0	0	0	111.9	I184 V185 C190 F191 G192 V195 V197	I184-S188 PolarHBondContact O-N 3.13Å; V185-S188 PolarHBondContact O-OG 2.71Å; S188-C190 PolarHBondContact O-N 3.19Å; S188-F191 PolarHBondContact O-N 3.28Å; S188-F191 VanDerWaalsContact O-N 3.11Å; S188-G192 PolarHBondContact O-N 3.03Å; S188-V195 WeakPolarHBondContact CB-O 3.46Å; S188-V197 WeakPolarHBondContact OG-CG2 3.34Å
189	R	97.4	Very high	97.4	Very high	190 Å²	190	46.2 Å²	46.2	72%	0.717	23%	0.227	S	C	*	.	H	α-helix	trans	-59.8	-30.3	174.1	-69.8	170.1	-176.2	168.6	3.1	113.2	V185 L187 F191	V185-R189 WeakPolarHBondContact O-CD 3.5Å; V185-R189 VanDerWaalsContact O-CG 3.27Å; V185-R189 WeakPolarHBondContact O-CG 3.16Å; V185-R189 PolarHBondContact O-N 2.84Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 3.18Å; R189-F191 VanDerWaalsContact C-N 3.34Å
190	C	96.8	Very high	97.5	Very high	10 Å²	10	41.5 Å²	41.5	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-37.6	176.5	173.5	0	0	0	0	112.4	W113 C119 K123 K186 L187 S188	W113-C190 HydrophobicContact CH2-CB 4.22Å; W113-C190 HydrophobicContact CZ3-CB 4.04Å; C119-C190 WeakPolarHBondContact CA-SG 3.45Å; C119-C190 HydrophobicContact CB-CB 3.82Å; C119-C190 WeakPolarHBondContact CB-SG 3.08Å; C119-C190 WeakPolarHBondContact SG-CA 3.19Å; C119-C190 WeakPolarHBondContact SG-CB 3.32Å; C119-C190 PolarHBondContact SG-O 2.7Å; C119-C190 VanDerWaalsContact SG-O 3.37Å; C119-C190 CovalentContact SG-SG 2.02Å; C119-C190 PolarHBondContact SG-SG 2.65Å; K123-C190 WeakPolarHBondContact CD-O 3.47Å; K123-C190 PolarHBondContact NZ-O 3.21Å; K186-C190 PolarHBondContact O-N 3.19Å; L187-C190 VanDerWaalsContact O-CB 3.24Å; L187-C190 WeakPolarHBondContact O-CB 3.45Å; L187-C190 PolarHBondContact O-N 3.12Å; S188-C190 PolarHBondContact O-N 3.19Å
191	F	95.7	Very high	97.4	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-82.5	-49	-178.4	-80.4	-77.4	0	0	0	112.4	F122 I126 L158 R159 Y162 L187 S188 R189 V195	F122-F191 HydrophobicContact CD1-CZ 4.44Å; F122-F191 HydrophobicContact CE1-CE2 4.12Å; F122-F191 AromaticContact CE1-CZ 3.78Å; F122-F191 HydrophobicContact CE1-CZ 3.78Å; I126-F191 HydrophobicContact CD1-CE1 4.36Å; L158-F191 HydrophobicContact CB-CE2 4.09Å; L158-F191 HydrophobicContact CB-CZ 4.27Å; L158-F191 HydrophobicContact CD2-CD2 3.35Å; L158-F191 HydrophobicContact CD2-CE2 3.42Å; L158-F191 VanDerWaalsContact CD2-CE2 3.42Å; L158-F191 HydrophobicContact CD2-CG 4.15Å; L158-F191 HydrophobicContact CD2-CZ 4.25Å; L158-F191 HydrophobicContact CG-CD2 3.85Å; L158-F191 HydrophobicContact CG-CE1 4.48Å; L158-F191 HydrophobicContact CG-CE2 3.59Å; L158-F191 HydrophobicContact CG-CG 4.39Å; L158-F191 HydrophobicContact CG-CZ 3.91Å; R159-F191 HydrophobicContact CB-CZ 4.12Å; Y162-F191 AromaticContact CD1-CD1 3.6Å; Y162-F191 HydrophobicContact CD1-CD1 3.6Å; Y162-F191 HydrophobicContact CD1-CE1 4.01Å; Y162-F191 HydrophobicContact CD2-CB 3.98Å; Y162-F191 AromaticContact CD2-CD1 3.51Å; Y162-F191 HydrophobicContact CD2-CD1 3.51Å; Y162-F191 HydrophobicContact CD2-CE1 4.26Å; Y162-F191 AromaticContact CD2-CG 4Å; Y162-F191 HydrophobicContact CD2-CG 4Å; Y162-F191 AromaticContact CE1-CD1 3.98Å; Y162-F191 HydrophobicContact CE1-CD1 3.98Å; Y162-F191 HydrophobicContact CE2-CB 3.72Å; Y162-F191 AromaticContact CE2-CD1 3.91Å; Y162-F191 HydrophobicContact CE2-CD1 3.91Å; Y162-F191 HydrophobicContact CE2-CG 4.21Å; Y162-F191 AromaticContact CG-CD1 3.34Å; Y162-F191 HydrophobicContact CG-CD1 3.34Å; Y162-F191 AromaticContact CG-CE1 3.72Å; Y162-F191 HydrophobicContact CG-CE1 3.72Å; Y162-F191 HydrophobicContact CG-CG 4.27Å; Y162-F191 PolarHBondContact OH-O 2.95Å; L187-F191 HydrophobicContact CD1-CD2 4.27Å; L187-F191 HydrophobicContact CD1-CE2 3.82Å; L187-F191 HydrophobicContact CG-CD2 4.46Å; L187-F191 HydrophobicContact CG-CE2 4.31Å; L187-F191 WeakPolarHBondContact O-CD2 3.14Å; L187-F191 PolarHBondContact O-N 3.15Å; S188-F191 PolarHBondContact O-N 3.28Å; S188-F191 VanDerWaalsContact O-N 3.11Å; R189-F191 VanDerWaalsContact C-N 3.34Å; F191-V195 HydrophobicContact CB-CG2 3.65Å; F191-V195 HydrophobicContact CG-CG2 4.47Å
192	G	95.1	Very high	97.4	Very high	26 Å²	26	50.4 Å²	50.4	27%	0.268	26%	0.262	S	S	.	.			trans	146.4	-177.1	176.4	0	0	0	0	0	114	S188 N194 V195	S188-G192 PolarHBondContact O-N 3.03Å; G192-N194 PolarHBondContact O-N 3.2Å; G192-V195 PolarHBondContact O-N 3.46Å; G192-V195 VanDerWaalsContact O-N 3.1Å
193	V	96.2	Very high	97.4	Very high	141 Å²	141	45.9 Å²	45.9	86%	0.855	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.7	-175.5	-62.5	0	0	0	0	114	V195	V193-V195 VanDerWaalsContact C-N 3.27Å
194	N	97.5	Very high	97.4	Very high	15 Å²	15	46 Å²	46	8%	0.08	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0	175.4	66.4	-42.8	0	0	0	113.2	Y162 R163 P164 N166 L167 Y168 G192	Y162-N194 WeakPolarHBondContact CE2-ND2 3.45Å; Y162-N194 PolarHBondContact OH-OD1 2.85Å; R163-N194 PolarHBondContact O-ND2 2.78Å; R163-N194 VanDerWaalsContact O-ND2 3.09Å; P164-N194 PolarHBondContact O-ND2 2.9Å; N166-N194 WeakPolarHBondContact O-CB 3.21Å; N166-N194 PolarHBondContact O-ND2 3.46Å; L167-N194 HydrophobicContact CD1-CB 4.27Å; Y168-N194 PolarHBondContact N-O 2.75Å; G192-N194 PolarHBondContact O-N 3.2Å
195	V	98.4	Very high	97.4	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	101.7	170.2	-172.4	0	0	0	0	109.6	L158 Y162 Y168 I170 S188 F191 G192 V193	L158-V195 HydrophobicContact CD2-CG1 4.08Å; Y162-V195 HydrophobicContact CD2-CG2 4.11Å; Y162-V195 HydrophobicContact CE2-CG2 3.95Å; Y168-V195 HydrophobicContact CD2-CG2 3.92Å; Y168-V195 HydrophobicContact CG-CG2 4.28Å; I170-V195 HydrophobicContact CD1-CG1 3.83Å; I170-V195 HydrophobicContact CG1-CG1 4.31Å; S188-V195 WeakPolarHBondContact CB-O 3.46Å; F191-V195 HydrophobicContact CB-CG2 3.65Å; F191-V195 HydrophobicContact CG-CG2 4.47Å; G192-V195 PolarHBondContact O-N 3.46Å; G192-V195 VanDerWaalsContact O-N 3.1Å; V193-V195 VanDerWaalsContact C-N 3.27Å
196	L	98.3	Very high	97.4	Very high	38 Å²	38	53.5 Å²	53.5	20%	0.199	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	150.2	179.7	-49.7	179.3	0	0	0	110.5	Y168 C169 I170 M223	Y168-L196 WeakPolarHBondContact O-CB 3.3Å; Y168-L196 PolarHBondContact O-N 2.85Å; C169-L196 CarbonylContact C-O 3.56Å; C169-L196 WeakPolarHBondContact CA-O 3.13Å; C169-L196 HydrophobicContact CB-CB 4.49Å; I170-L196 PolarHBondContact N-O 3.49Å; L196-M223 HydrophobicContact CB-CE 3.93Å; L196-M223 HydrophobicContact CD1-CB 4.33Å; L196-M223 HydrophobicContact CD1-CE 4.36Å
197	V	98.5	Very high	97.3	Very high	21 Å²	21	52.7 Å²	52.7	13%	0.127	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131	173.6	-175.9	0	0	0	0	107.4	I170 I184 V185 S188 N199	I170-V197 HydrophobicContact CB-CG2 4.43Å; I170-V197 WeakPolarHBondContact O-CA 3.44Å; I184-V197 HydrophobicContact CG2-CG1 3.98Å; I184-V197 HydrophobicContact CG2-CG2 3.98Å; V185-V197 HydrophobicContact CG2-CB 4.35Å; V185-V197 HydrophobicContact CG2-CG1 4.06Å; S188-V197 WeakPolarHBondContact OG-CG2 3.34Å; V197-N199 PolarHBondContact O-N 3.05Å
198	V	98.4	Very high	97	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.018	30%	0.3	C	S	.	.			trans	-61.1	131.3	174.6	179.6	0	0	0	0	108.6	I170 H171 H181 E202 A219 M223	I170-V198 PolarHBondContact O-N 3.27Å; H171-V198 HydrophobicContact CB-CG2 4.05Å; H181-V198 PolarHBondContact NE2-O 3.38Å; V198-E202 HydrophobicContact CG1-CB 3.98Å; V198-A219 HydrophobicContact CG2-CB 4.5Å; V198-M223 HydrophobicContact CB-SD 4.38Å; V198-M223 HydrophobicContact CG2-SD 3.77Å
199	N	97.5	Very high	96.7	Very high	91 Å²	91	60.3 Å²	60.3	49%	0.487	30%	0.298	S	S	.	.			trans	-61.4	146.3	179.5	-65.2	-51.4	0	0	0	110.3	V197 S201 E202 S203	V197-N199 PolarHBondContact O-N 3.05Å; N199-S201 PolarHBondContact O-N 3.18Å; N199-S201 VanDerWaalsContact O-N 3.17Å; N199-E202 HydrophobicContact CB-CB 4.49Å; N199-E202 HydrophobicContact CB-CG 4.36Å; N199-E202 WeakPolarHBondContact CB-OE2 3.34Å; N199-E202 PolarHBondContact ND2-OE2 3.49Å; N199-E202 CarbonylContact O-C 3.58Å; N199-E202 WeakPolarHBondContact O-CA 3.42Å; N199-E202 PolarHBondContact O-N 3.31Å; N199-S203 PolarHBondContact O-N 3.1Å
200	R	97.3	Very high	96.6	Very high	52 Å²	52	54 Å²	54	20%	0.196	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.1	-175.8	-174.6	59.4	168.8	170.6	3.2	113.7	D173 R174 S176 E178 E202 S203	D173-R200 PolarHBondContact O-NH1 3.19Å; R174-R200 PolarHBondContact O-NH1 3.45Å; R174-R200 PolarHBondContact O-NH2 2.98Å; R174-R200 VanDerWaalsContact O-NH2 3.12Å; S176-R200 PolarHBondContact O-NH1 3.3Å; S176-R200 PolarHBondContact O-NH2 3.38Å; E178-R200 IonicContact OE1-NE 3.18Å; E178-R200 IonicContact OE2-CZ 3.7Å; E178-R200 IonicContact OE2-NE 3.28Å; E178-R200 PolarHBondContact OE2-NE 3.12Å; E178-R200 IonicContact OE2-NH2 2.71Å; E178-R200 PolarHBondContact OE2-NH2 2.77Å; R200-E202 VanDerWaalsContact C-N 3.25Å; R200-E202 PolarHBondContact O-N 2.97Å; R200-S203 WeakPolarHBondContact O-CB 3.39Å; R200-S203 PolarHBondContact O-N 3Å
201	S	96.7	Very high	96.6	Very high	96 Å²	96	53.8 Å²	53.8	67%	0.671	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.9	176	50.3	0	0	0	0	113.5	N199	N199-S201 PolarHBondContact O-N 3.18Å; N199-S201 VanDerWaalsContact O-N 3.17Å
202	E	97	Very high	96.7	Very high	110 Å²	110	53.4 Å²	53.4	51%	0.514	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-12.1	-177.9	-61.2	171.9	143.9	0	0	111.9	V198 N199 R200 I204	V198-E202 HydrophobicContact CG1-CB 3.98Å; N199-E202 HydrophobicContact CB-CB 4.49Å; N199-E202 HydrophobicContact CB-CG 4.36Å; N199-E202 WeakPolarHBondContact CB-OE2 3.34Å; N199-E202 PolarHBondContact ND2-OE2 3.49Å; N199-E202 CarbonylContact O-C 3.58Å; N199-E202 WeakPolarHBondContact O-CA 3.42Å; N199-E202 PolarHBondContact O-N 3.31Å; R200-E202 VanDerWaalsContact C-N 3.25Å; R200-E202 PolarHBondContact O-N 2.97Å; E202-I204 PolarHBondContact O-N 2.91Å
203	S	97.6	Very high	96.8	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.021	26%	0.264	C	S	.	.			trans	-54.5	138.2	174.3	-78.5	0	0	0	0	111.5	V172 R174 N199 R200	V172-S203 WeakPolarHBondContact O-CB 3.3Å; V172-S203 PolarHBondContact O-OG 2.91Å; R174-S203 WeakPolarHBondContact CD-O 3.41Å; N199-S203 PolarHBondContact O-N 3.1Å; R200-S203 WeakPolarHBondContact O-CB 3.39Å; R200-S203 PolarHBondContact O-N 3Å
204	I	98.1	Very high	96.9	Very high	42 Å²	42	46 Å²	46	22%	0.215	22%	0.223	C	C	.	.			trans	-91.4	138.4	178.3	-52.7	-57.7	0	0	0	109	H171 R174 E202 V206 E215	H171-I204 PolarHBondContact CE1-O 2.86Å; H171-I204 WeakPolarHBondContact NE2-CB 3.27Å; H171-I204 PolarHBondContact NE2-N 2.93Å; R174-I204 PolarHBondContact N-O 3.29Å; E202-I204 PolarHBondContact O-N 2.91Å; I204-V206 PolarHBondContact O-N 2.9Å; I204-E215 HydrophobicContact CD1-CB 4.49Å; I204-E215 HydrophobicContact CG1-CB 4.12Å; I204-E215 HydrophobicContact CG2-CB 4.03Å
205	R	97.9	Very high	96.9	Very high	171 Å²	171	47.1 Å²	47.1	65%	0.645	23%	0.228	S	C	*	.			trans	-76.2	101.4	168	171.1	167.6	-179.3	160.3	0.6	108	R174 K175 V207 S212	R174-R205 HydrophobicContact CB-CB 4.21Å; K175-R205 HydrophobicContact CD-CG 4.06Å; K175-R205 HydrophobicContact CG-CG 3.77Å; R205-V207 HydrophobicContact CG-CG2 4.41Å; R205-S212 WeakPolarHBondContact O-CB 3.43Å
206	V	97	Very high	96.8	Very high	16 Å²	16	46.8 Å²	46.8	10%	0.097	23%	0.225	C	C	.	.			trans	-82.8	124	-174.2	-178.1	0	0	0	0	109.8	L146 D173 K175 I204 V213	L146-V206 HydrophobicContact CD1-CG2 4.14Å; D173-V206 HydrophobicContact CB-CG2 4.49Å; D173-V206 PolarHBondContact OD1-N 2.65Å; D173-V206 VanDerWaalsContact OD1-N 3.1Å; K175-V206 WeakPolarHBondContact CE-O 3.43Å; K175-V206 PolarHBondContact NZ-O 3.13Å; I204-V206 PolarHBondContact O-N 2.9Å; V206-V213 HydrophobicContact CG1-CB 4.47Å; V206-V213 HydrophobicContact CG1-CG2 3.77Å
207	V	95.7	Very high	96.8	Very high	50 Å²	50	45 Å²	45	30%	0.303	22%	0.216	S	C	.	.			trans	-117.3	123.8	175.8	-176	0	0	0	0	107.8	R205 G209 H210 S212	R205-V207 HydrophobicContact CG-CG2 4.41Å; V207-G209 PolarHBondContact O-N 3.36Å; V207-H210 HydrophobicContact CB-CB 4.04Å; V207-H210 HydrophobicContact CG1-CB 4.42Å; V207-H210 WeakPolarHBondContact O-CB 3.41Å; V207-H210 PolarHBondContact O-N 2.87Å; V207-H210 VanDerWaalsContact O-N 3.14Å; V207-S212 PolarHBondContact N-OG 3.23Å; V207-S212 PolarHBondContact O-OG 2.55Å
208	W	92.5	Very high	96.8	Very high	169 Å²	169	44.6 Å²	44.6	64%	0.64	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	133.7	-180	179.9	80.1	0	0	0	110.4	H210 I326	W208-H210 VanDerWaalsContact C-N 3.29Å; W208-H210 PolarHBondContact O-N 3.5Å; W208-I326 HydrophobicContact CH2-CD1 4.29Å; W208-I326 HydrophobicContact CZ2-CD1 4.48Å
209	G	90.9	Very high	96.8	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.031	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-1.5	-177.3	0	0	0	0	0	115.3	V207 I326 P327	V207-G209 PolarHBondContact O-N 3.36Å; G209-I326 WeakPolarHBondContact O-CA 3.26Å; G209-I326 PolarHBondContact O-N 2.87Å; G209-I326 VanDerWaalsContact O-N 3.13Å; G209-P327 VanDerWaalsContact O-CD 3.26Å; G209-P327 WeakPolarHBondContact O-CD 3.44Å
210	H	95.2	Very high	96.9	Very high	56 Å²	56	41.1 Å²	41.1	26%	0.259	20%	0.197	S	C	.	.	S	Bend	trans	-105.7	166.5	176.6	-71.2	-130.9	0	0	0	111.7	V207 W208 S212 V213 E321	V207-H210 HydrophobicContact CB-CB 4.04Å; V207-H210 HydrophobicContact CG1-CB 4.42Å; V207-H210 WeakPolarHBondContact O-CB 3.41Å; V207-H210 PolarHBondContact O-N 2.87Å; V207-H210 VanDerWaalsContact O-N 3.14Å; W208-H210 VanDerWaalsContact C-N 3.29Å; W208-H210 PolarHBondContact O-N 3.5Å; H210-S212 PolarHBondContact O-N 3.35Å; H210-V213 PolarHBondContact O-N 3.16Å; H210-E321 HydrophobicContact CB-CB 4.44Å; H210-E321 PolarHBondContact ND1-O 3.15Å
211	Y	97.3	Very high	96.9	Very high	6 Å²	6	38.6 Å²	38.6	2%	0.024	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.7	178.9	-174.7	-107	0	0	0	113.6	V213 V214 E215 L218 R314 L317 K318 P327	Y211-V213 PolarHBondContact O-N 3.43Å; Y211-V214 HydrophobicContact CD2-CB 4.03Å; Y211-V214 HydrophobicContact CD2-CG2 4.27Å; Y211-V214 HydrophobicContact CE2-CB 3.78Å; Y211-V214 HydrophobicContact CE2-CG1 3.76Å; Y211-V214 HydrophobicContact CE2-CG2 4.26Å; Y211-V214 WeakPolarHBondContact O-CA 3.47Å; Y211-V214 WeakPolarHBondContact O-CB 3.47Å; Y211-V214 PolarHBondContact O-N 3.01Å; Y211-E215 HydrophobicContact CD1-CG 3.39Å; Y211-E215 HydrophobicContact CE1-CG 3.31Å; Y211-E215 HydrophobicContact CG-CG 4.46Å; Y211-E215 PolarHBondContact O-N 2.86Å; Y211-L218 WeakPolarHBondContact OH-CD1 3.29Å; Y211-R314 VanDerWaalsContact OH-CB 3.24Å; Y211-R314 WeakPolarHBondContact OH-CB 3.42Å; Y211-R314 WeakPolarHBondContact OH-CG 3.37Å; Y211-L317 HydrophobicContact CD2-CB 3.59Å; Y211-L317 HydrophobicContact CE2-CB 3.81Å; Y211-L317 HydrophobicContact CE2-CD1 4.48Å; Y211-K318 HydrophobicContact CD1-CB 3.47Å; Y211-K318 VanDerWaalsContact CD1-CB 3.47Å; Y211-K318 HydrophobicContact CD1-CD 3.94Å; Y211-K318 HydrophobicContact CD1-CG 3.67Å; Y211-K318 HydrophobicContact CD2-CB 4.46Å; Y211-K318 HydrophobicContact CE1-CB 3.73Å; Y211-K318 HydrophobicContact CE1-CD 3.95Å; Y211-K318 HydrophobicContact CE1-CG 4.09Å; Y211-K318 HydrophobicContact CG-CB 3.89Å; Y211-K318 HydrophobicContact CG-CG 4.39Å; Y211-P327 VanDerWaalsContact CA-CG 3.45Å; Y211-P327 HydrophobicContact CD2-CB 4.33Å; Y211-P327 HydrophobicContact CD2-CG 4.34Å
212	S	97.3	Very high	97	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	18%	0.18	C	C	.	.	H	α-helix	trans	-50.5	-25.2	175.4	62.7	0	0	0	0	116	R205 V207 H210 E215 G216	R205-S212 WeakPolarHBondContact O-CB 3.43Å; V207-S212 PolarHBondContact N-OG 3.23Å; V207-S212 PolarHBondContact O-OG 2.55Å; H210-S212 PolarHBondContact O-N 3.35Å; S212-E215 WeakPolarHBondContact CA-OE2 3.2Å; S212-E215 PolarHBondContact O-N 3.29Å; S212-G216 PolarHBondContact O-N 3.18Å
213	V	97.3	Very high	97	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.073	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-44.6	172.1	179.3	0	0	0	0	110.8	L146 V206 H210 Y211 G216 F217 F292 D328	L146-V213 HydrophobicContact CD2-CG1 4.18Å; V206-V213 HydrophobicContact CG1-CB 4.47Å; V206-V213 HydrophobicContact CG1-CG2 3.77Å; H210-V213 PolarHBondContact O-N 3.16Å; Y211-V213 PolarHBondContact O-N 3.43Å; V213-G216 PolarHBondContact O-N 2.96Å; V213-F217 PolarHBondContact O-N 3.38Å; V213-F292 HydrophobicContact CG1-CD1 4.08Å; V213-F292 HydrophobicContact CG1-CD2 4.39Å; V213-F292 HydrophobicContact CG1-CE1 3.77Å; V213-F292 HydrophobicContact CG1-CE2 4.1Å; V213-F292 HydrophobicContact CG1-CG 4.36Å; V213-F292 HydrophobicContact CG1-CZ 3.75Å; V213-D328 HydrophobicContact CB-CB 4.06Å; V213-D328 HydrophobicContact CG1-CB 3.85Å
214	V	98	Very high	97.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-41.5	174.5	-178.4	0	0	0	0	110.1	Y211 G216 F217 L218 D328 F331	Y211-V214 HydrophobicContact CD2-CB 4.03Å; Y211-V214 HydrophobicContact CD2-CG2 4.27Å; Y211-V214 HydrophobicContact CE2-CB 3.78Å; Y211-V214 HydrophobicContact CE2-CG1 3.76Å; Y211-V214 HydrophobicContact CE2-CG2 4.26Å; Y211-V214 WeakPolarHBondContact O-CA 3.47Å; Y211-V214 WeakPolarHBondContact O-CB 3.47Å; Y211-V214 PolarHBondContact O-N 3.01Å; V214-G216 VanDerWaalsContact C-N 3.32Å; V214-G216 PolarHBondContact O-N 2.63Å; V214-F217 WeakPolarHBondContact O-CB 3.1Å; V214-F217 PolarHBondContact O-N 2.64Å; V214-F217 VanDerWaalsContact O-N 3.16Å; V214-L218 HydrophobicContact CG1-CD1 3.89Å; V214-L218 HydrophobicContact CG1-CG 4.14Å; V214-L218 VanDerWaalsContact O-CG 3.29Å; V214-L218 WeakPolarHBondContact O-CG 3.34Å; V214-L218 PolarHBondContact O-N 3.09Å; V214-D328 HydrophobicContact CG2-CB 3.9Å; V214-F331 HydrophobicContact CG1-CD1 3.51Å; V214-F331 HydrophobicContact CG1-CE1 3.62Å; V214-F331 HydrophobicContact CG1-CG 3.99Å; V214-F331 HydrophobicContact CG1-CZ 4.2Å; V214-F331 HydrophobicContact CG2-CB 4.15Å; V214-F331 HydrophobicContact CG2-CD1 4.29Å; V214-F331 HydrophobicContact CG2-CG 4.33Å
215	E	97.7	Very high	97.1	Very high	38 Å²	38	35.6 Å²	35.6	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-40.3	176.5	-64.9	-175.5	120	0	0	112.7	I204 Y211 S212 F217 L218 A219 K318	I204-E215 HydrophobicContact CD1-CB 4.49Å; I204-E215 HydrophobicContact CG1-CB 4.12Å; I204-E215 HydrophobicContact CG2-CB 4.03Å; Y211-E215 HydrophobicContact CD1-CG 3.39Å; Y211-E215 HydrophobicContact CE1-CG 3.31Å; Y211-E215 HydrophobicContact CG-CG 4.46Å; Y211-E215 PolarHBondContact O-N 2.86Å; S212-E215 WeakPolarHBondContact CA-OE2 3.2Å; S212-E215 PolarHBondContact O-N 3.29Å; E215-F217 VanDerWaalsContact C-N 3.32Å; E215-F217 PolarHBondContact O-N 2.67Å; E215-L218 PolarHBondContact O-N 3.19Å; E215-A219 PolarHBondContact O-N 3.13Å; E215-K318 WeakPolarHBondContact OE1-CE 3.25Å; E215-K318 IonicContact OE1-NZ 2.63Å; E215-K318 PolarHBondContact OE1-NZ 3.34Å
216	G	97.6	Very high	97	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-40.9	174.8	0	0	0	0	0	112.8	S212 V213 V214	S212-G216 PolarHBondContact O-N 3.18Å; V213-G216 PolarHBondContact O-N 2.96Å; V214-G216 VanDerWaalsContact C-N 3.32Å; V214-G216 PolarHBondContact O-N 2.63Å
217	F	98.1	Very high	97	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-42.1	172.8	163.5	-91.4	0	0	0	112.8	V213 V214 E215 A219 C220 S221 L235 N237 F292 L296 F332	V213-F217 PolarHBondContact O-N 3.38Å; V214-F217 WeakPolarHBondContact O-CB 3.1Å; V214-F217 PolarHBondContact O-N 2.64Å; V214-F217 VanDerWaalsContact O-N 3.16Å; E215-F217 VanDerWaalsContact C-N 3.32Å; E215-F217 PolarHBondContact O-N 2.67Å; F217-A219 VanDerWaalsContact C-N 3.35Å; F217-A219 PolarHBondContact O-N 3.21Å; F217-C220 PolarHBondContact O-N 3.28Å; F217-S221 WeakPolarHBondContact CE1-OG 3.38Å; F217-S221 WeakPolarHBondContact CE2-OG 3.48Å; F217-S221 WeakPolarHBondContact CZ-OG 3.19Å; F217-S221 WeakPolarHBondContact O-CB 3.18Å; F217-S221 PolarHBondContact O-N 3.39Å; F217-S221 PolarHBondContact O-OG 3.2Å; F217-L235 HydrophobicContact CE2-CD2 3.41Å; F217-L235 VanDerWaalsContact CE2-CD2 3.41Å; F217-L235 HydrophobicContact CE2-CG 4.4Å; F217-L235 HydrophobicContact CZ-CD2 3.45Å; F217-L235 VanDerWaalsContact CZ-CD2 3.45Å; F217-N237 HydrophobicContact CD2-CB 3.75Å; F217-N237 HydrophobicContact CE2-CB 3.97Å; F217-F292 HydrophobicContact CB-CE2 4.06Å; F217-F292 HydrophobicContact CB-CZ 3.67Å; F217-F292 HydrophobicContact CG-CE2 4.48Å; F217-F292 HydrophobicContact CG-CZ 4.36Å; F217-L296 HydrophobicContact CE2-CD1 4.42Å; F217-L296 HydrophobicContact CZ-CD1 3.73Å; F217-F332 HydrophobicContact CD1-CE1 4.22Å; F217-F332 AromaticContact CD1-CZ 3.71Å; F217-F332 HydrophobicContact CD1-CZ 3.71Å; F217-F332 HydrophobicContact CD2-CZ 4.18Å; F217-F332 AromaticContact CE1-CE1 3.57Å; F217-F332 HydrophobicContact CE1-CE1 3.57Å; F217-F332 AromaticContact CE1-CZ 3.43Å; F217-F332 HydrophobicContact CE1-CZ 3.43Å; F217-F332 VanDerWaalsContact CE1-CZ 3.43Å; F217-F332 AromaticContact CE2-CZ 3.89Å; F217-F332 HydrophobicContact CE2-CZ 3.89Å; F217-F332 HydrophobicContact CG-CZ 4.08Å; F217-F332 AromaticContact CZ-CE1 3.74Å; F217-F332 HydrophobicContact CZ-CE1 3.74Å; F217-F332 AromaticContact CZ-CZ 3.52Å; F217-F332 HydrophobicContact CZ-CZ 3.52Å
218	L	98.4	Very high	97	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-41	-179.4	-70.8	170.3	0	0	0	111.6	Y211 V214 E215 C220 S221 E222 I304 L305	Y211-L218 WeakPolarHBondContact OH-CD1 3.29Å; V214-L218 HydrophobicContact CG1-CD1 3.89Å; V214-L218 HydrophobicContact CG1-CG 4.14Å; V214-L218 VanDerWaalsContact O-CG 3.29Å; V214-L218 WeakPolarHBondContact O-CG 3.34Å; V214-L218 PolarHBondContact O-N 3.09Å; E215-L218 PolarHBondContact O-N 3.19Å; L218-C220 VanDerWaalsContact C-N 3.31Å; L218-C220 PolarHBondContact O-N 3.22Å; L218-S221 PolarHBondContact O-N 2.7Å; L218-S221 VanDerWaalsContact O-N 3.15Å; L218-E222 WeakPolarHBondContact O-CB 3.41Å; L218-E222 PolarHBondContact O-N 3.4Å; L218-I304 HydrophobicContact CD2-CG2 3.56Å; L218-L305 HydrophobicContact CD2-CD2 4.13Å
219	A	98.2	Very high	97	Very high	21 Å²	21	34.3 Å²	34.3	17%	0.174	19%	0.19	C	C	.	.	H	α-helix	trans	-56.3	-45.3	175.9	0	0	0	0	0	111.7	V198 E215 F217 M223	V198-A219 HydrophobicContact CG2-CB 4.5Å; E215-A219 PolarHBondContact O-N 3.13Å; F217-A219 VanDerWaalsContact C-N 3.35Å; F217-A219 PolarHBondContact O-N 3.21Å; A219-M223 WeakPolarHBondContact O-CG 3.38Å; A219-M223 PolarHBondContact O-N 2.94Å
220	C	98.5	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.2	-39.7	175.1	-92.6	0	0	0	0	113.2	S144 C169 F217 L218 E222 M223 L224	S144-C220 VanDerWaalsContact OG-CB 3.28Å; S144-C220 WeakPolarHBondContact OG-CB 3.27Å; C169-C220 HydrophobicContact CB-CB 3.58Å; C169-C220 WeakPolarHBondContact CB-SG 3.32Å; C169-C220 PolarHBondContact O-SG 3.25Å; C169-C220 WeakPolarHBondContact SG-CA 3.19Å; C169-C220 WeakPolarHBondContact SG-CB 3.45Å; C169-C220 CovalentContact SG-SG 2.05Å; C169-C220 PolarHBondContact SG-SG 3.35Å; F217-C220 PolarHBondContact O-N 3.28Å; L218-C220 VanDerWaalsContact C-N 3.31Å; L218-C220 PolarHBondContact O-N 3.22Å; C220-E222 VanDerWaalsContact C-N 3.28Å; C220-E222 PolarHBondContact O-N 3.14Å; C220-M223 PolarHBondContact O-N 2.9Å; C220-L224 WeakPolarHBondContact O-CB 3.46Å; C220-L224 WeakPolarHBondContact O-CD1 3.36Å; C220-L224 WeakPolarHBondContact O-CG 3.36Å; C220-L224 PolarHBondContact O-N 3.4Å
221	S	98.4	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-39.3	179.9	-60.1	0	0	0	0	111.9	F217 L218 L224 F225	F217-S221 WeakPolarHBondContact CE1-OG 3.38Å; F217-S221 WeakPolarHBondContact CE2-OG 3.48Å; F217-S221 WeakPolarHBondContact CZ-OG 3.19Å; F217-S221 WeakPolarHBondContact O-CB 3.18Å; F217-S221 PolarHBondContact O-N 3.39Å; F217-S221 PolarHBondContact O-OG 3.2Å; L218-S221 PolarHBondContact O-N 2.7Å; L218-S221 VanDerWaalsContact O-N 3.15Å; S221-L224 PolarHBondContact O-N 2.97Å; S221-F225 WeakPolarHBondContact O-CB 3.41Å; S221-F225 PolarHBondContact O-N 3.49Å
222	E	98	Very high	97.3	Very high	108 Å²	108	37.2 Å²	37.2	51%	0.505	21%	0.208	S	C	.	.	H	α-helix	trans	-64.4	-47.9	176.4	-174.7	167.8	-146.5	0	0	111.9	L218 C220 L224 F225 N226 L305	L218-E222 WeakPolarHBondContact O-CB 3.41Å; L218-E222 PolarHBondContact O-N 3.4Å; C220-E222 VanDerWaalsContact C-N 3.28Å; C220-E222 PolarHBondContact O-N 3.14Å; E222-L224 VanDerWaalsContact C-N 3.32Å; E222-L224 PolarHBondContact O-N 3.47Å; E222-F225 PolarHBondContact O-N 3.43Å; E222-N226 WeakPolarHBondContact O-CB 3.38Å; E222-N226 PolarHBondContact O-N 3.11Å; E222-N226 PolarHBondContact O-ND2 3.39Å; E222-L305 HydrophobicContact CB-CD2 4.42Å
223	M	97.9	Very high	97.4	Very high	57 Å²	57	40 Å²	40	28%	0.281	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-40.8	175.7	-68.1	179.7	73.1	0	0	112.4	L196 V198 A219 C220 N227	L196-M223 HydrophobicContact CB-CE 3.93Å; L196-M223 HydrophobicContact CD1-CB 4.33Å; L196-M223 HydrophobicContact CD1-CE 4.36Å; V198-M223 HydrophobicContact CB-SD 4.38Å; V198-M223 HydrophobicContact CG2-SD 3.77Å; A219-M223 WeakPolarHBondContact O-CG 3.38Å; A219-M223 PolarHBondContact O-N 2.94Å; C220-M223 PolarHBondContact O-N 2.9Å; M223-N227 PolarHBondContact O-N 3.03Å
224	L	98.6	Very high	97.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.7	-41.3	179.8	-67.7	168.3	0	0	0	111.6	A142 Y143 L167 C169 C220 S221 E222 N227 W232 L235	A142-L224 HydrophobicContact CB-CD1 4.35Å; A142-L224 HydrophobicContact CB-CD2 4.43Å; Y143-L224 WeakPolarHBondContact O-CD1 3.29Å; L167-L224 HydrophobicContact CB-CD2 4.1Å; L167-L224 HydrophobicContact CD2-CB 4.22Å; L167-L224 HydrophobicContact CD2-CD2 3.47Å; L167-L224 VanDerWaalsContact CD2-CD2 3.47Å; L167-L224 HydrophobicContact CD2-CG 4.45Å; L167-L224 HydrophobicContact CG-CD2 3.45Å; L167-L224 VanDerWaalsContact CG-CD2 3.45Å; C169-L224 HydrophobicContact CB-CD1 3.79Å; C169-L224 HydrophobicContact CB-CD2 3.79Å; C169-L224 HydrophobicContact CB-CG 3.66Å; C220-L224 WeakPolarHBondContact O-CB 3.46Å; C220-L224 WeakPolarHBondContact O-CD1 3.36Å; C220-L224 WeakPolarHBondContact O-CG 3.36Å; C220-L224 PolarHBondContact O-N 3.4Å; S221-L224 PolarHBondContact O-N 2.97Å; E222-L224 VanDerWaalsContact C-N 3.32Å; E222-L224 PolarHBondContact O-N 3.47Å; L224-N227 WeakPolarHBondContact O-CB 3.42Å; L224-N227 PolarHBondContact O-N 3.35Å; L224-W232 PolarHBondContact O-NE1 2.91Å; L224-L235 HydrophobicContact CB-CD1 4.47Å; L224-L235 HydrophobicContact CD1-CD1 3.29Å; L224-L235 HydrophobicContact CG-CD1 4.47Å
225	F	98	Very high	97.5	Very high	22 Å²	22	39.6 Å²	39.6	10%	0.096	22%	0.218	C	C	.	.	H	α-helix	trans	-67.3	-40.4	-179.4	-173.8	-96.7	0	0	0	112.5	S221 E222 N227 W232 R298 V301 D302 L305 H306	S221-F225 WeakPolarHBondContact O-CB 3.41Å; S221-F225 PolarHBondContact O-N 3.49Å; E222-F225 PolarHBondContact O-N 3.43Å; F225-N227 VanDerWaalsContact C-N 3.26Å; F225-N227 PolarHBondContact O-N 2.98Å; F225-W232 HydrophobicContact CB-CZ2 4.37Å; F225-W232 HydrophobicContact CD2-CZ2 4.15Å; F225-R298 HydrophobicContact CD2-CG 4.44Å; F225-R298 HydrophobicContact CE2-CG 4.26Å; F225-R298 VanDerWaalsContact CE2-CZ 3.44Å; F225-R298 PolarHBondContact O-NH2 2.76Å; F225-V301 HydrophobicContact CD2-CG1 4.39Å; F225-D302 HydrophobicContact CE2-CB 3.56Å; F225-D302 HydrophobicContact CZ-CB 3.67Å; F225-D302 WeakPolarHBondContact CZ-OD1 3.42Å; F225-L305 HydrophobicContact CB-CD1 3.75Å; F225-L305 HydrophobicContact CD1-CD1 4.24Å; F225-L305 HydrophobicContact CD2-CD1 4.5Å; F225-L305 HydrophobicContact CG-CD1 3.91Å; F225-H306 AromaticContact CD1-CE1 3.9Å; F225-H306 AromaticContact CE1-CE1 3.59Å
226	N	97.1	Very high	97.5	Very high	100 Å²	100	37.8 Å²	37.8	54%	0.535	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.1	-179.4	-68.1	-31.8	0	0	0	113.6	E222 P228	E222-N226 WeakPolarHBondContact O-CB 3.38Å; E222-N226 PolarHBondContact O-N 3.11Å; E222-N226 PolarHBondContact O-ND2 3.39Å; N226-P228 WeakPolarHBondContact O-CD 3.19Å
227	N	96.8	Very high	97.5	Very high	31 Å²	31	38 Å²	38	17%	0.166	21%	0.21	C	C	.	.			trans	-68.5	123.3	176.5	-171.9	-81.9	0	0	0	110.7	L167 M223 L224 F225 T229 V230	L167-N227 HydrophobicContact CD2-CB 3.49Å; L167-N227 VanDerWaalsContact CD2-CB 3.49Å; M223-N227 PolarHBondContact O-N 3.03Å; L224-N227 WeakPolarHBondContact O-CB 3.42Å; L224-N227 PolarHBondContact O-N 3.35Å; F225-N227 VanDerWaalsContact C-N 3.26Å; F225-N227 PolarHBondContact O-N 2.98Å; N227-T229 VanDerWaalsContact C-N 3.34Å; N227-T229 PolarHBondContact O-N 3.23Å; N227-T229 WeakPolarHBondContact OD1-CB 3.47Å; N227-T229 PolarHBondContact OD1-N 3.45Å; N227-V230 PolarHBondContact OD1-N 3Å
228	P	94.4	Very high	97.5	Very high	126 Å²	126	38.2 Å²	38.2	82%	0.818	21%	0.211	S	C	*	.	S	Bend	trans	-81.7	-13.9	-175.1	32.7	-36.4	0	0	0	113.5	N226	N226-P228 WeakPolarHBondContact O-CD 3.19Å
229	T	93.9	Very high	97.2	Very high	123 Å²	123	39.6 Å²	39.6	76%	0.755	22%	0.219	S	C	*	.	S	Bend	trans	-95.3	-41.4	-168	-51.5	0	0	0	0	112	N227	N227-T229 VanDerWaalsContact C-N 3.34Å; N227-T229 PolarHBondContact O-N 3.23Å; N227-T229 WeakPolarHBondContact OD1-CB 3.47Å; N227-T229 PolarHBondContact OD1-N 3.45Å
230	V	95.6	Very high	96.8	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.115	21%	0.214	C	C	.	.			trans	-110.2	108.9	-173.4	-175.9	0	0	0	0	110.3	P140 N165 L167 N227 W232	P140-V230 HydrophobicContact CB-CG1 3.76Å; P140-V230 HydrophobicContact CG-CG1 4.36Å; N165-V230 VanDerWaalsContact O-CG1 3.23Å; N165-V230 WeakPolarHBondContact O-CG1 3.31Å; L167-V230 HydrophobicContact CB-CB 4.25Å; L167-V230 HydrophobicContact CB-CG1 4.13Å; L167-V230 HydrophobicContact CD1-CB 4.39Å; L167-V230 HydrophobicContact CD1-CG2 4.16Å; L167-V230 HydrophobicContact CD2-CB 4.47Å; N227-V230 PolarHBondContact OD1-N 3Å; V230-W232 VanDerWaalsContact C-N 3.34Å; V230-W232 HydrophobicContact CG1-CB 4.34Å; V230-W232 VanDerWaalsContact O-CD1 3.31Å; V230-W232 PolarHBondContact O-N 2.87Å; V230-W232 VanDerWaalsContact O-N 3.14Å
231	N	95.7	Very high	96.5	Very high	105 Å²	105	39.9 Å²	39.9	56%	0.561	22%	0.218	S	C	*	.			trans	-85.5	77	171.4	-171.5	30.8	0	0	0	110.9	Q233	N231-Q233 PolarHBondContact O-NE2 3.48Å
232	W	98.3	Very high	96.4	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	22%	0.218	C	C	.	.			trans	-70.3	156.8	179.7	54.1	-96	0	0	0	112.7	P140 A142 L224 F225 V230 L235 R298 V301	P140-W232 HydrophobicContact CB-CB 4.35Å; P140-W232 CarbonylContact O-C 3.55Å; P140-W232 VanDerWaalsContact O-CA 3.29Å; P140-W232 WeakPolarHBondContact O-CA 3.24Å; A142-W232 HydrophobicContact CB-CB 3.96Å; A142-W232 HydrophobicContact CB-CD2 3.54Å; A142-W232 HydrophobicContact CB-CE3 3.91Å; A142-W232 HydrophobicContact CB-CG 3.54Å; L224-W232 PolarHBondContact O-NE1 2.91Å; F225-W232 HydrophobicContact CB-CZ2 4.37Å; F225-W232 HydrophobicContact CD2-CZ2 4.15Å; V230-W232 VanDerWaalsContact C-N 3.34Å; V230-W232 HydrophobicContact CG1-CB 4.34Å; V230-W232 VanDerWaalsContact O-CD1 3.31Å; V230-W232 PolarHBondContact O-N 2.87Å; V230-W232 VanDerWaalsContact O-N 3.14Å; W232-L235 HydrophobicContact CH2-CB 4.14Å; W232-L235 HydrophobicContact CZ3-CB 3.84Å; W232-R298 HydrophobicContact CD2-CG 4.39Å; W232-R298 HydrophobicContact CE3-CB 3.87Å; W232-R298 HydrophobicContact CE3-CG 4.08Å; W232-R298 HydrophobicContact CH2-CB 3.89Å; W232-R298 HydrophobicContact CH2-CG 3.63Å; W232-R298 HydrophobicContact CZ2-CG 3.95Å; W232-R298 HydrophobicContact CZ3-CB 3.48Å; W232-R298 VanDerWaalsContact CZ3-CB 3.48Å; W232-R298 HydrophobicContact CZ3-CG 3.71Å; W232-R298 VanDerWaalsContact O-CD 3.29Å; W232-R298 WeakPolarHBondContact O-CD 3.46Å; W232-V301 HydrophobicContact CH2-CB 3.85Å; W232-V301 HydrophobicContact CH2-CG1 4.1Å; W232-V301 HydrophobicContact CH2-CG2 3.78Å; W232-V301 HydrophobicContact CZ3-CG2 4.25Å
233	Q	98.3	Very high	96.3	Very high	64 Å²	64	34.7 Å²	34.7	30%	0.299	19%	0.194	S	C	.	.	S	Bend	trans	-102.7	-39.7	-173	-56.1	-59.5	-57.5	0	0	112.1	Y139 P140 N231 R297 R298	Y139-Q233 HydrophobicContact CD1-CB 3.96Å; Y139-Q233 HydrophobicContact CD1-CG 4.05Å; Y139-Q233 HydrophobicContact CD2-CB 4.21Å; Y139-Q233 HydrophobicContact CD2-CG 3.69Å; Y139-Q233 HydrophobicContact CE1-CB 3.56Å; Y139-Q233 HydrophobicContact CE1-CG 4.09Å; Y139-Q233 HydrophobicContact CE2-CB 3.83Å; Y139-Q233 HydrophobicContact CE2-CG 3.73Å; Y139-Q233 HydrophobicContact CG-CB 4.27Å; Y139-Q233 HydrophobicContact CG-CG 3.87Å; Y139-Q233 VanDerWaalsContact CZ-CB 3.5Å; P140-Q233 PolarHBondContact O-N 3.36Å; N231-Q233 PolarHBondContact O-NE2 3.48Å; Q233-R297 WeakPolarHBondContact O-CA 3.49Å; Q233-R298 PolarHBondContact O-N 2.98Å
234	Y	98.7	Very high	96.3	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149	177.6	-86.1	-103	0	0	0	111.7	Y139 A142 L255 L258 K260 S261 A295 L296 R297	Y139-Y234 HydrophobicContact CE1-CD2 4.05Å; Y139-Y234 VanDerWaalsContact OH-CD2 3.29Å; Y139-Y234 WeakPolarHBondContact OH-CD2 3.42Å; Y139-Y234 WeakPolarHBondContact OH-CE2 3.49Å; A142-Y234 PolarHBondContact N-O 3.15Å; Y234-L255 HydrophobicContact CD1-CD2 3.78Å; Y234-L255 HydrophobicContact CD2-CB 4.21Å; Y234-L255 HydrophobicContact CD2-CD2 4.45Å; Y234-L255 HydrophobicContact CE1-CD2 4.14Å; Y234-L255 HydrophobicContact CE2-CB 4.41Å; Y234-L255 HydrophobicContact CG-CB 4.5Å; Y234-L255 HydrophobicContact CG-CD1 4.22Å; Y234-L255 HydrophobicContact CG-CD2 3.94Å; Y234-L255 HydrophobicContact CG-CG 4.45Å; Y234-L258 HydrophobicContact CE1-CD1 4.26Å; Y234-K260 WeakPolarHBondContact OH-CA 3.46Å; Y234-S261 WeakPolarHBondContact CE1-O 3.45Å; Y234-S261 PolarHBondContact OH-N 2.03Å; Y234-S261 PolarHBondContact OH-O 3.37Å; Y234-A295 HydrophobicContact CD1-CB 4.18Å; Y234-L296 CarbonylContact C-O 3.46Å; Y234-L296 WeakPolarHBondContact CA-O 3.15Å; Y234-L296 VanDerWaalsContact CD1-C 3.45Å; Y234-L296 WeakPolarHBondContact CD1-O 3.41Å; Y234-R297 HydrophobicContact CE1-CB 4.21Å; Y234-R297 HydrophobicContact CE2-CB 4.32Å
235	L	98.8	Very high	96.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.3	170.6	-179.3	81.9	0	0	0	109.6	A142 F217 L224 W232 L296 V301	A142-L235 HydrophobicContact CB-CB 4.48Å; A142-L235 HydrophobicContact CB-CD1 3.67Å; A142-L235 CarbonylContact O-C 3.56Å; A142-L235 VanDerWaalsContact O-CA 3.3Å; A142-L235 WeakPolarHBondContact O-CA 3.28Å; F217-L235 HydrophobicContact CE2-CD2 3.41Å; F217-L235 VanDerWaalsContact CE2-CD2 3.41Å; F217-L235 HydrophobicContact CE2-CG 4.4Å; F217-L235 HydrophobicContact CZ-CD2 3.45Å; F217-L235 VanDerWaalsContact CZ-CD2 3.45Å; L224-L235 HydrophobicContact CB-CD1 4.47Å; L224-L235 HydrophobicContact CD1-CD1 3.29Å; L224-L235 HydrophobicContact CG-CD1 4.47Å; W232-L235 HydrophobicContact CH2-CB 4.14Å; W232-L235 HydrophobicContact CZ3-CB 3.84Å; L235-L296 HydrophobicContact CD2-CD1 4.49Å; L235-L296 PolarHBondContact N-O 2.85Å; L235-L296 PolarHBondContact O-N 3.3Å; L235-V301 HydrophobicContact CB-CG2 3.84Å; L235-V301 HydrophobicContact CD2-CG1 4.33Å; L235-V301 HydrophobicContact CD2-CG2 3.65Å; L235-V301 HydrophobicContact CG-CG2 4.38Å
236	L	98.7	Very high	96.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.8	172.7	-73.8	83.1	0	0	0	110.2	I141 A142 Y143 S144 L251 L255 A295 F400 F401	I141-L236 HydrophobicContact CG2-CD1 3.63Å; A142-L236 PolarHBondContact O-N 2.85Å; Y143-L236 VanDerWaalsContact CA-O 3.32Å; Y143-L236 WeakPolarHBondContact CA-O 3.43Å; Y143-L236 HydrophobicContact CD1-CB 3.92Å; Y143-L236 HydrophobicContact CE1-CB 4.06Å; Y143-L236 HydrophobicContact CE1-CD2 4.45Å; S144-L236 PolarHBondContact N-O 2.75Å; L236-L251 HydrophobicContact CD2-CD1 4.19Å; L236-L251 HydrophobicContact CD2-CD2 4.13Å; L236-L255 HydrophobicContact CD1-CD1 4.13Å; L236-A295 HydrophobicContact CD1-CB 4.23Å; L236-A295 HydrophobicContact CD2-CB 4.36Å; L236-A295 HydrophobicContact CG-CB 3.9Å; L236-F400 HydrophobicContact CD2-CD2 4.15Å; L236-F401 HydrophobicContact CD2-CD2 4.44Å; L236-F401 HydrophobicContact CD2-CE2 3.73Å
237	N	98.1	Very high	96.4	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.5	176.1	65.1	-36.7	0	0	0	112	S144 F217 F292 H293 A294 R365	S144-N237 CarbonylContact O-C 3.44Å; S144-N237 VanDerWaalsContact O-CA 3.26Å; S144-N237 WeakPolarHBondContact O-CA 3.44Å; F217-N237 HydrophobicContact CD2-CB 3.75Å; F217-N237 HydrophobicContact CE2-CB 3.97Å; N237-F292 WeakPolarHBondContact ND2-CD1 3.42Å; N237-F292 WeakPolarHBondContact ND2-CE1 3.21Å; N237-F292 PolarHBondContact ND2-O 2.7Å; N237-H293 PolarHBondContact O-CD2 2.05Å; N237-H293 WeakPolarHBondContact OD1-CA 3.36Å; N237-A294 PolarHBondContact OD1-N 3.48Å; N237-A294 PolarHBondContact OD1-O 2.82Å; N237-R365 PolarHBondContact O-NH2 2.82Å
238	I	96.7	Very high	96.4	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.6	-174	-54.7	167.9	0	0	0	109.2	Y143 S144 L145 L146 L157 I161 E242 F401	Y143-I238 HydrophobicContact CD1-CD1 3.33Å; Y143-I238 HydrophobicContact CD1-CG1 4.28Å; Y143-I238 HydrophobicContact CE1-CD1 3.69Å; Y143-I238 HydrophobicContact CG-CD1 4.38Å; S144-I238 PolarHBondContact O-N 3.41Å; L145-I238 VanDerWaalsContact CA-O 3.31Å; L145-I238 WeakPolarHBondContact CA-O 3.48Å; L146-I238 PolarHBondContact N-O 3.36Å; L157-I238 HydrophobicContact CD1-CG2 4.35Å; L157-I238 HydrophobicContact CD2-CG2 3.74Å; I161-I238 HydrophobicContact CD1-CD1 4.06Å; I238-E242 HydrophobicContact CG2-CB 3.85Å; I238-E242 HydrophobicContact CG2-CG 4.46Å; I238-F401 HydrophobicContact CD1-CD1 4.19Å; I238-F401 HydrophobicContact CD1-CE1 3.47Å; I238-F401 VanDerWaalsContact CD1-CE1 3.47Å; I238-F401 HydrophobicContact CD1-CE2 4.08Å; I238-F401 HydrophobicContact CD1-CZ 3.42Å; I238-F401 VanDerWaalsContact CD1-CZ 3.42Å; I238-F401 HydrophobicContact CG1-CE1 4.24Å; I238-F401 HydrophobicContact CG1-CZ 4.26Å
239	N	91.9	Very high	96.6	Very high	42 Å²	42	21.8 Å²	21.8	23%	0.225	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	164	169.4	71.4	53.2	0	0	0	112.1	K241 E242 H293	N239-K241 PolarHBondContact O-N 2.92Å; N239-K241 WeakPolarHBondContact OD1-CA 3.45Å; N239-K241 PolarHBondContact OD1-N 2.63Å; N239-E242 PolarHBondContact N-OE2 2.79Å; N239-E242 PolarHBondContact ND2-OE2 3.28Å; N239-E242 PolarHBondContact O-N 3.37Å; N239-E242 WeakPolarHBondContact OD1-CG 3.33Å; N239-E242 PolarHBondContact OD1-OE2 3.42Å; N239-H293 PolarHBondContact ND2-CE1 2.91Å; N239-H293 PolarHBondContact ND2-NE2 3.49Å
240	G	90.3	Very high	96.8	Very high	6 Å²	6	16.1 Å²	16.1	6%	0.062	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	3.8	-176.3	0	0	0	0	0	116.3
241	K	93.2	Very high	97	Very high	20 Å²	20	15.4 Å²	15.4	9%	0.087	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	16.6	-179.4	-52.5	-58.2	-175.3	-160.8	0	112.6	D149 W153 N239 K404 F405	D149-K241 WeakPolarHBondContact OD1-CE 3.46Å; D149-K241 IonicContact OD1-NZ 2.8Å; D149-K241 PolarHBondContact OD1-NZ 3.01Å; D149-K241 IonicContact OD2-NZ 2.82Å; D149-K241 PolarHBondContact OD2-NZ 3.42Å; W153-K241 HydrophobicContact CE3-CD 4.41Å; N239-K241 PolarHBondContact O-N 2.92Å; N239-K241 WeakPolarHBondContact OD1-CA 3.45Å; N239-K241 PolarHBondContact OD1-N 2.63Å; K241-K404 HydrophobicContact CB-CB 4.3Å; K241-F405 PolarHBondContact O-N 2.71Å
242	E	95.6	Very high	97.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	159.3	-179.8	-70.4	176.4	93	0	0	111.9	I238 N239 H293 R365 V402 N403	I238-E242 HydrophobicContact CG2-CB 3.85Å; I238-E242 HydrophobicContact CG2-CG 4.46Å; N239-E242 PolarHBondContact N-OE2 2.79Å; N239-E242 PolarHBondContact ND2-OE2 3.28Å; N239-E242 PolarHBondContact O-N 3.37Å; N239-E242 WeakPolarHBondContact OD1-CG 3.33Å; N239-E242 PolarHBondContact OD1-OE2 3.42Å; E242-H293 IonicContact OE1-CD2 3.49Å; E242-H293 IonicContact OE1-CE1 3.83Å; E242-H293 IonicContact OE1-NE2 2.65Å; E242-H293 IonicContact OE2-CD2 3.71Å; E242-H293 IonicContact OE2-CE1 2.63Å; E242-H293 IonicContact OE2-NE2 3.21Å; E242-H293 PolarHBondContact OE2-NE2 2.69Å; E242-R365 VanDerWaalsContact OE1-CD 3.3Å; E242-R365 WeakPolarHBondContact OE1-CD 3.28Å; E242-R365 WeakPolarHBondContact OE1-CG 3.31Å; E242-R365 IonicContact OE1-CZ 3.41Å; E242-R365 IonicContact OE1-NE 2.7Å; E242-R365 PolarHBondContact OE1-NE 2.84Å; E242-V402 VanDerWaalsContact CA-O 3.32Å; E242-V402 WeakPolarHBondContact CA-O 3.42Å; E242-N403 HydrophobicContact CG-CB 3.89Å; E242-N403 WeakPolarHBondContact CG-ND2 3.38Å
243	L	96.8	Very high	97.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.5	167.8	-84.1	178	0	0	0	110.3	L160 F401 V402 F405 Y414 L417	L160-L243 HydrophobicContact CD1-CD2 3.46Å; L160-L243 VanDerWaalsContact CD1-CD2 3.46Å; L243-F401 CarbonylContact O-C 3.38Å; L243-F401 VanDerWaalsContact O-CA 3.3Å; L243-F401 WeakPolarHBondContact O-CA 3.48Å; L243-V402 HydrophobicContact CB-CG1 4.26Å; L243-V402 PolarHBondContact N-O 3.26Å; L243-V402 WeakPolarHBondContact O-CG1 3.45Å; L243-V402 PolarHBondContact O-N 3.49Å; L243-F405 HydrophobicContact CB-CE2 4.12Å; L243-F405 HydrophobicContact CD1-CD2 4.41Å; L243-F405 HydrophobicContact CD1-CE2 4Å; L243-F405 HydrophobicContact CD1-CZ 4.34Å; L243-F405 HydrophobicContact CG-CE2 4.31Å; L243-Y414 HydrophobicContact CD1-CD1 3.64Å; L243-Y414 HydrophobicContact CD1-CD2 3.56Å; L243-Y414 HydrophobicContact CD1-CE1 3.7Å; L243-Y414 HydrophobicContact CD1-CE2 3.61Å; L243-Y414 HydrophobicContact CD1-CG 3.58Å; L243-Y414 HydrophobicContact CD2-CD1 4.48Å; L243-Y414 HydrophobicContact CD2-CE1 3.71Å; L243-Y414 HydrophobicContact CD2-CE2 3.99Å; L243-Y414 VanDerWaalsContact CD2-CZ 3.43Å; L243-Y414 WeakPolarHBondContact CD2-OH 3.35Å; L243-Y414 HydrophobicContact CG-CD1 4.43Å; L243-Y414 HydrophobicContact CG-CD2 4.03Å; L243-Y414 HydrophobicContact CG-CE1 4.01Å; L243-Y414 HydrophobicContact CG-CE2 3.56Å; L243-Y414 HydrophobicContact CG-CG 4.45Å; L243-L417 HydrophobicContact CB-CD2 3.61Å; L243-L417 HydrophobicContact CB-CG 4.3Å; L243-L417 HydrophobicContact CD1-CB 4.02Å; L243-L417 HydrophobicContact CD1-CD2 3.68Å; L243-L417 HydrophobicContact CD1-CG 3.95Å; L243-L417 HydrophobicContact CG-CD2 4.33Å
244	P	98	Very high	97.1	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.019	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	143.3	173.5	27.9	-32.3	0	0	0	111.2	L160 I161 R246 F401 I421	L160-P244 HydrophobicContact CB-CG 3.87Å; L160-P244 HydrophobicContact CD1-CG 4.24Å; I161-P244 HydrophobicContact CG2-CB 4.46Å; I161-P244 HydrophobicContact CG2-CG 4.21Å; P244-R246 WeakPolarHBondContact CB-O 3.14Å; P244-F401 HydrophobicContact CB-CD1 4.08Å; P244-F401 HydrophobicContact CB-CE1 3.77Å; P244-F401 HydrophobicContact CB-CZ 4.37Å; P244-I421 HydrophobicContact CG-CG1 4.4Å; P244-I421 HydrophobicContact CG-CG2 4.4Å; P244-I421 WeakPolarHBondContact O-CD1 3.49Å; P244-I421 WeakPolarHBondContact O-CG1 3.37Å
245	L	98.1	Very high	97.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-100	-4.9	163.6	-69	-179.1	0	0	0	111.7	F394 R397 E399 F400 V402 L417	L245-F394 HydrophobicContact CD2-CB 3.74Å; L245-F394 HydrophobicContact CD2-CD1 4.46Å; L245-F394 HydrophobicContact CD2-CG 4.12Å; L245-R397 HydrophobicContact CD1-CB 3.83Å; L245-R397 HydrophobicContact CD1-CG 4.48Å; L245-E399 WeakPolarHBondContact CB-O 3.39Å; L245-E399 HydrophobicContact CD1-CB 4.24Å; L245-F400 PolarHBondContact N-O 3.15Å; L245-V402 HydrophobicContact CD1-CB 3.98Å; L245-V402 HydrophobicContact CD2-CB 4.05Å; L245-V402 HydrophobicContact CD2-CG1 3.73Å; L245-V402 HydrophobicContact CG-CB 3.88Å; L245-V402 HydrophobicContact CG-CG1 3.9Å; L245-L417 HydrophobicContact CD2-CD1 4.03Å; L245-L417 HydrophobicContact CD2-CD2 4.33Å
246	R	98.1	Very high	97.1	Very high	26 Å²	26	11.3 Å²	11.3	10%	0.098	5%	0.054	C	C	.	.	S	Bend	trans	-125.2	142.4	-179	-62.5	-60.3	178	-106.5	18.8	111	P244 E250 L251 R397 F400 Y443	P244-R246 WeakPolarHBondContact CB-O 3.14Å; R246-E250 VanDerWaalsContact CA-OE2 3.27Å; R246-E250 WeakPolarHBondContact CA-OE2 3.28Å; R246-E250 HydrophobicContact CB-CB 4.06Å; R246-E250 WeakPolarHBondContact CD-OE2 3.4Å; R246-L251 HydrophobicContact CB-CB 4.32Å; R246-R397 PolarHBondContact NH1-O 3.46Å; R246-R397 VanDerWaalsContact NH1-O 3.13Å; R246-R397 PolarHBondContact NH2-O 3.2Å; R246-F400 HydrophobicContact CG-CD1 4.36Å; R246-Y443 PolarHBondContact NE-OH 2.98Å; R246-Y443 PolarHBondContact NH2-OH 2.82Å
247	T	97.9	Very high	97.1	Very high	3 Å²	3	12 Å²	12	2%	0.018	6%	0.06	C	C	.	.			trans	-66.7	166.8	164.1	68	0	0	0	0	109.4	W249 E250 L251 K424 M425 E428	T247-W249 VanDerWaalsContact C-N 3.28Å; T247-W249 PolarHBondContact O-N 3.15Å; T247-E250 PolarHBondContact N-OE2 3.09Å; T247-E250 PolarHBondContact O-N 3.2Å; T247-E250 WeakPolarHBondContact OG1-CB 3.41Å; T247-E250 WeakPolarHBondContact OG1-CG 3.18Å; T247-E250 PolarHBondContact OG1-N 3.46Å; T247-E250 VanDerWaalsContact OG1-N 3.14Å; T247-L251 VanDerWaalsContact O-CB 3.31Å; T247-L251 WeakPolarHBondContact O-CB 3.31Å; T247-L251 PolarHBondContact O-N 2.87Å; T247-K424 HydrophobicContact CG2-CB 3.54Å; T247-K424 HydrophobicContact CG2-CD 4.48Å; T247-M425 HydrophobicContact CG2-CG 3.86Å; T247-E428 VanDerWaalsContact CB-OE1 3.31Å; T247-E428 WeakPolarHBondContact CB-OE1 3.01Å; T247-E428 VanDerWaalsContact CB-OE2 3.31Å; T247-E428 WeakPolarHBondContact CB-OE2 3.25Å; T247-E428 WeakPolarHBondContact CG2-OE1 3.23Å; T247-E428 VanDerWaalsContact OG1-CD 3.23Å; T247-E428 PolarHBondContact OG1-OE1 3.49Å; T247-E428 PolarHBondContact OG1-OE2 2.89Å; T247-E428 VanDerWaalsContact OG1-OE2 3.11Å
248	N	98.3	Very high	97	Very high	6 Å²	6	11.8 Å²	11.8	3%	0.032	6%	0.059	C	C	.	.	H	α-helix	trans	-63.3	-36.4	176.1	-175.7	83.9	0	0	0	111.6	E136 R163 N166 L251 V252	E136-N248 WeakPolarHBondContact CG-ND2 3.4Å; E136-N248 VanDerWaalsContact OE1-CB 3.28Å; E136-N248 WeakPolarHBondContact OE1-CB 3.33Å; E136-N248 PolarHBondContact OE1-ND2 3.33Å; R163-N248 HydrophobicContact CG-CB 3.87Å; N166-N248 PolarHBondContact ND2-OD1 3.36Å; N248-L251 PolarHBondContact O-N 2.93Å; N248-V252 VanDerWaalsContact O-CG2 3.31Å; N248-V252 WeakPolarHBondContact O-CG2 3.38Å; N248-V252 PolarHBondContact O-N 2.83Å
249	W	98.4	Very high	97	Very high	27 Å²	27	16.6 Å²	16.6	10%	0.102	8%	0.084	C	C	.	.	H	α-helix	trans	-67.5	-46.8	177.7	-168.9	6.8	0	0	0	112	W131 S133 E135 E136 T247 L251 V252 V253 E428 G432 L434	W131-W249 HydrophobicContact CH2-CE3 4.03Å; W131-W249 AromaticContact CH2-CZ3 3.8Å; W131-W249 HydrophobicContact CH2-CZ3 3.8Å; W131-W249 HydrophobicContact CZ3-CE3 4.17Å; W131-W249 HydrophobicContact CZ3-CZ3 4.36Å; S133-W249 PolarHBondContact OG-NE1 3.4Å; E135-W249 PolarHBondContact OE2-NE1 2.99Å; E136-W249 HydrophobicContact CG-CB 3.8Å; E136-W249 HydrophobicContact CG-CG 4.07Å; E136-W249 PolarHBondContact OE1-N 2.85Å; T247-W249 VanDerWaalsContact C-N 3.28Å; T247-W249 PolarHBondContact O-N 3.15Å; W249-L251 VanDerWaalsContact C-N 3.27Å; W249-L251 PolarHBondContact O-N 2.62Å; W249-V252 PolarHBondContact O-N 2.56Å; W249-V253 WeakPolarHBondContact O-CG2 3.34Å; W249-V253 PolarHBondContact O-N 3.33Å; W249-E428 HydrophobicContact CE3-CB 3.92Å; W249-E428 HydrophobicContact CE3-CG 4.02Å; W249-E428 HydrophobicContact CZ3-CB 4.17Å; W249-E428 HydrophobicContact CZ3-CG 4.46Å; W249-G432 WeakPolarHBondContact CH2-O 3.16Å; W249-L434 HydrophobicContact CB-CD2 3.9Å; W249-L434 HydrophobicContact CD2-CD2 3.49Å; W249-L434 VanDerWaalsContact CD2-CD2 3.49Å; W249-L434 HydrophobicContact CD2-CG 3.95Å; W249-L434 HydrophobicContact CE3-CD2 3.68Å; W249-L434 HydrophobicContact CE3-CG 4.22Å; W249-L434 HydrophobicContact CG-CD2 3.61Å; W249-L434 HydrophobicContact CG-CG 4.34Å; W249-L434 HydrophobicContact CZ2-CG 4.33Å; W249-L434 HydrophobicContact CZ3-CD2 4.38Å
250	E	98.5	Very high	97.3	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-56.8	-42.8	172.9	-73.9	179.5	139.6	0	0	111.9	R246 T247 V253 A254 K424 L434 F438	R246-E250 VanDerWaalsContact CA-OE2 3.27Å; R246-E250 WeakPolarHBondContact CA-OE2 3.28Å; R246-E250 HydrophobicContact CB-CB 4.06Å; R246-E250 WeakPolarHBondContact CD-OE2 3.4Å; T247-E250 PolarHBondContact N-OE2 3.09Å; T247-E250 PolarHBondContact O-N 3.2Å; T247-E250 WeakPolarHBondContact OG1-CB 3.41Å; T247-E250 WeakPolarHBondContact OG1-CG 3.18Å; T247-E250 PolarHBondContact OG1-N 3.46Å; T247-E250 VanDerWaalsContact OG1-N 3.14Å; E250-V253 PolarHBondContact O-N 2.94Å; E250-A254 VanDerWaalsContact O-CB 3.32Å; E250-A254 WeakPolarHBondContact O-CB 3.5Å; E250-A254 PolarHBondContact O-N 2.92Å; E250-K424 WeakPolarHBondContact OE1-CE 3.43Å; E250-K424 IonicContact OE1-NZ 2.68Å; E250-K424 PolarHBondContact OE1-NZ 3.28Å; E250-K424 WeakPolarHBondContact OE2-CE 3.18Å; E250-K424 IonicContact OE2-NZ 3.67Å; E250-K424 PolarHBondContact OE2-NZ 2.78Å; E250-L434 HydrophobicContact CG-CD2 3.82Å; E250-F438 HydrophobicContact CB-CD2 3.87Å; E250-F438 HydrophobicContact CB-CE2 3.57Å; E250-F438 HydrophobicContact CB-CZ 3.98Å; E250-F438 HydrophobicContact CG-CD1 4.49Å; E250-F438 HydrophobicContact CG-CD2 3.61Å; E250-F438 HydrophobicContact CG-CE2 3.87Å; E250-F438 HydrophobicContact CG-CG 3.95Å; E250-F438 HydrophobicContact CG-CZ 4.41Å; E250-F438 WeakPolarHBondContact O-CZ 3.29Å; E250-F438 WeakPolarHBondContact OE1-CD2 3.1Å
251	L	98.6	Very high	97.6	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-44.6	177.9	-178.4	62.4	0	0	0	111.5	I141 Y143 L236 R246 T247 N248 W249 V253 A254 L255 F400	I141-L251 HydrophobicContact CD1-CD2 3.79Å; I141-L251 HydrophobicContact CD1-CG 3.9Å; Y143-L251 HydrophobicContact CE1-CD2 4.46Å; Y143-L251 WeakPolarHBondContact OH-CD2 3.46Å; L236-L251 HydrophobicContact CD2-CD1 4.19Å; L236-L251 HydrophobicContact CD2-CD2 4.13Å; R246-L251 HydrophobicContact CB-CB 4.32Å; T247-L251 VanDerWaalsContact O-CB 3.31Å; T247-L251 WeakPolarHBondContact O-CB 3.31Å; T247-L251 PolarHBondContact O-N 2.87Å; N248-L251 PolarHBondContact O-N 2.93Å; W249-L251 VanDerWaalsContact C-N 3.27Å; W249-L251 PolarHBondContact O-N 2.62Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.41Å; L251-A254 PolarHBondContact O-N 2.97Å; L251-L255 HydrophobicContact CD1-CD1 4.11Å; L251-L255 HydrophobicContact CD1-CG 4.08Å; L251-L255 HydrophobicContact CG-CD1 3.89Å; L251-L255 HydrophobicContact CG-CG 4.3Å; L251-L255 WeakPolarHBondContact O-CB 3.25Å; L251-L255 WeakPolarHBondContact O-CG 3.49Å; L251-L255 PolarHBondContact O-N 3.43Å; L251-F400 HydrophobicContact CD1-CB 3.96Å; L251-F400 HydrophobicContact CD1-CD1 3.59Å; L251-F400 HydrophobicContact CD1-CD2 3.79Å; L251-F400 HydrophobicContact CD1-CE1 3.95Å; L251-F400 HydrophobicContact CD1-CE2 4.13Å; L251-F400 HydrophobicContact CD1-CG 3.5Å; L251-F400 HydrophobicContact CD1-CZ 4.21Å
252	V	98.6	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-47.5	175.3	163.8	0	0	0	0	111	E135 E136 Y139 I141 N248 W249 L255 K256	E135-V252 HydrophobicContact CG-CG1 3.58Å; E136-V252 HydrophobicContact CG-CG2 4.28Å; Y139-V252 HydrophobicContact CD1-CB 4.49Å; Y139-V252 HydrophobicContact CD1-CG1 3.97Å; Y139-V252 HydrophobicContact CD1-CG2 4.31Å; Y139-V252 HydrophobicContact CG-CG1 3.96Å; I141-V252 HydrophobicContact CD1-CG2 3.73Å; I141-V252 HydrophobicContact CG1-CG2 4.32Å; N248-V252 VanDerWaalsContact O-CG2 3.31Å; N248-V252 WeakPolarHBondContact O-CG2 3.38Å; N248-V252 PolarHBondContact O-N 2.83Å; W249-V252 PolarHBondContact O-N 2.56Å; V252-L255 PolarHBondContact O-N 2.86Å; V252-K256 HydrophobicContact CG1-CD 4.27Å; V252-K256 WeakPolarHBondContact O-CB 3.04Å; V252-K256 WeakPolarHBondContact O-CG 3.21Å; V252-K256 PolarHBondContact O-N 2.62Å
253	V	98.3	Very high	97.9	Very high	12 Å²	12	20.2 Å²	20.2	7%	0.073	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-41.7	179.2	173.7	0	0	0	0	111.3	E135 W249 E250 L251 K256 A257 L434 F438 T440	E135-V253 VanDerWaalsContact CD-CG2 3.46Å; E135-V253 HydrophobicContact CG-CG2 4.25Å; E135-V253 WeakPolarHBondContact OE2-CG2 3.21Å; W249-V253 WeakPolarHBondContact O-CG2 3.34Å; W249-V253 PolarHBondContact O-N 3.33Å; E250-V253 PolarHBondContact O-N 2.94Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.41Å; V253-K256 PolarHBondContact O-N 2.9Å; V253-A257 WeakPolarHBondContact O-CB 3.26Å; V253-A257 PolarHBondContact O-N 3.24Å; V253-L434 HydrophobicContact CB-CD1 4.16Å; V253-L434 HydrophobicContact CG1-CD1 4.33Å; V253-L434 HydrophobicContact CG2-CD1 3.79Å; V253-F438 HydrophobicContact CB-CE1 4.05Å; V253-F438 HydrophobicContact CB-CZ 4.44Å; V253-F438 HydrophobicContact CG1-CE1 3.74Å; V253-F438 HydrophobicContact CG1-CZ 4.44Å; V253-T440 HydrophobicContact CG1-CG2 3.63Å; V253-T440 WeakPolarHBondContact CG1-OG1 3.41Å
254	A	98.4	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.1	-47.1	175.6	0	0	0	0	0	111.8	E250 L251 A257 L258 F400 F438 Y443	E250-A254 VanDerWaalsContact O-CB 3.32Å; E250-A254 WeakPolarHBondContact O-CB 3.5Å; E250-A254 PolarHBondContact O-N 2.92Å; L251-A254 PolarHBondContact O-N 2.97Å; A254-A257 WeakPolarHBondContact O-CB 2.8Å; A254-A257 PolarHBondContact O-N 3.46Å; A254-L258 WeakPolarHBondContact O-CG 3.27Å; A254-L258 PolarHBondContact O-N 3.39Å; A254-F400 HydrophobicContact CB-CE1 3.63Å; A254-F400 HydrophobicContact CB-CZ 4.19Å; A254-F438 HydrophobicContact CB-CZ 4.14Å; A254-Y443 HydrophobicContact CB-CD1 3.85Å; A254-Y443 HydrophobicContact CB-CD2 3.62Å; A254-Y443 HydrophobicContact CB-CE1 3.89Å; A254-Y443 HydrophobicContact CB-CE2 3.65Å; A254-Y443 HydrophobicContact CB-CG 3.72Å
255	L	98.5	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-40.6	179.7	-69.1	171.4	0	0	0	112.1	Y139 I141 Y234 L236 L251 V252 A257 L258 A295 F400	Y139-L255 HydrophobicContact CE1-CB 3.94Å; I141-L255 HydrophobicContact CD1-CD1 3.61Å; I141-L255 HydrophobicContact CG1-CD1 4Å; Y234-L255 HydrophobicContact CD1-CD2 3.78Å; Y234-L255 HydrophobicContact CD2-CB 4.21Å; Y234-L255 HydrophobicContact CD2-CD2 4.45Å; Y234-L255 HydrophobicContact CE1-CD2 4.14Å; Y234-L255 HydrophobicContact CE2-CB 4.41Å; Y234-L255 HydrophobicContact CG-CB 4.5Å; Y234-L255 HydrophobicContact CG-CD1 4.22Å; Y234-L255 HydrophobicContact CG-CD2 3.94Å; Y234-L255 HydrophobicContact CG-CG 4.45Å; L236-L255 HydrophobicContact CD1-CD1 4.13Å; L251-L255 HydrophobicContact CD1-CD1 4.11Å; L251-L255 HydrophobicContact CD1-CG 4.08Å; L251-L255 HydrophobicContact CG-CD1 3.89Å; L251-L255 HydrophobicContact CG-CG 4.3Å; L251-L255 WeakPolarHBondContact O-CB 3.25Å; L251-L255 WeakPolarHBondContact O-CG 3.49Å; L251-L255 PolarHBondContact O-N 3.43Å; V252-L255 PolarHBondContact O-N 2.86Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 3.29Å; L255-L258 HydrophobicContact CD2-CD1 3.89Å; L255-L258 VanDerWaalsContact O-CB 3.29Å; L255-L258 WeakPolarHBondContact O-CB 3.48Å; L255-L258 PolarHBondContact O-N 2.88Å; L255-L258 VanDerWaalsContact O-N 3.16Å; L255-A295 HydrophobicContact CD2-CB 4.01Å; L255-F400 HydrophobicContact CD2-CE2 3.97Å; L255-F400 HydrophobicContact CD2-CZ 4.17Å
256	K	98.1	Very high	97.7	Very high	75 Å²	75	22.7 Å²	22.7	33%	0.326	11%	0.109	S	C	.	.	H	α-helix	trans	-59.9	-41.1	172.1	-78.7	179.9	172.4	-172.8	0	112.1	E135 Y139 V252 V253 L258 N259	E135-K256 HydrophobicContact CG-CD 4.43Å; E135-K256 WeakPolarHBondContact OE1-CD 3.28Å; E135-K256 WeakPolarHBondContact OE1-CE 3.44Å; E135-K256 IonicContact OE1-NZ 3.5Å; E135-K256 PolarHBondContact OE1-NZ 2.93Å; Y139-K256 HydrophobicContact CD1-CG 4.41Å; Y139-K256 HydrophobicContact CD2-CD 4.11Å; Y139-K256 HydrophobicContact CD2-CG 3.68Å; Y139-K256 HydrophobicContact CE1-CG 4.25Å; Y139-K256 HydrophobicContact CE2-CD 4.38Å; Y139-K256 HydrophobicContact CE2-CG 3.49Å; Y139-K256 VanDerWaalsContact CE2-CG 3.49Å; Y139-K256 HydrophobicContact CG-CD 4.46Å; Y139-K256 HydrophobicContact CG-CG 4.13Å; V252-K256 HydrophobicContact CG1-CD 4.27Å; V252-K256 WeakPolarHBondContact O-CB 3.04Å; V252-K256 WeakPolarHBondContact O-CG 3.21Å; V252-K256 PolarHBondContact O-N 2.62Å; V253-K256 PolarHBondContact O-N 2.9Å; K256-L258 PolarHBondContact O-N 3.27Å; K256-N259 PolarHBondContact O-N 3.38Å
257	A	98	Very high	97.4	Very high	16 Å²	16	21.8 Å²	21.8	13%	0.132	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-15.7	178.6	0	0	0	0	0	113.6	V253 A254 L255 N259 T440 S444	V253-A257 WeakPolarHBondContact O-CB 3.26Å; V253-A257 PolarHBondContact O-N 3.24Å; A254-A257 WeakPolarHBondContact O-CB 2.8Å; A254-A257 PolarHBondContact O-N 3.46Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 3.29Å; A257-N259 PolarHBondContact O-N 3.13Å; A257-T440 HydrophobicContact CB-CG2 3.69Å; A257-S444 VanDerWaalsContact O-CA 3.24Å; A257-S444 WeakPolarHBondContact O-CA 3.46Å
258	L	97.5	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.7	173.9	-56.9	-177.7	0	0	0	113.8	Y234 A254 L255 K256 K260 S261 I263 L446	Y234-L258 HydrophobicContact CE1-CD1 4.26Å; A254-L258 WeakPolarHBondContact O-CG 3.27Å; A254-L258 PolarHBondContact O-N 3.39Å; L255-L258 HydrophobicContact CD2-CD1 3.89Å; L255-L258 VanDerWaalsContact O-CB 3.29Å; L255-L258 WeakPolarHBondContact O-CB 3.48Å; L255-L258 PolarHBondContact O-N 2.88Å; L255-L258 VanDerWaalsContact O-N 3.16Å; K256-L258 PolarHBondContact O-N 3.27Å; L258-K260 VanDerWaalsContact C-N 3.27Å; L258-K260 PolarHBondContact O-N 3.33Å; L258-S261 VanDerWaalsContact O-CB 3.31Å; L258-S261 WeakPolarHBondContact O-CB 3.39Å; L258-S261 PolarHBondContact O-N 3.2Å; L258-S261 PolarHBondContact O-OG 3.29Å; L258-I263 HydrophobicContact CD1-CD1 3.59Å; L258-I263 HydrophobicContact CD1-CG1 3.45Å; L258-I263 VanDerWaalsContact CD1-CG1 3.45Å; L258-I263 HydrophobicContact CD2-CD1 3.65Å; L258-I263 HydrophobicContact CD2-CG1 4.38Å; L258-I263 HydrophobicContact CG-CD1 4.23Å; L258-L446 HydrophobicContact CD2-CD1 3.96Å
259	N	96.6	Very high	96.2	Very high	104 Å²	104	33.6 Å²	33.6	56%	0.556	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	43.5	177.4	-170.7	36.5	0	0	0	112.9	K256 A257 S261 H452	K256-N259 PolarHBondContact O-N 3.38Å; A257-N259 PolarHBondContact O-N 3.13Å; N259-S261 VanDerWaalsContact C-N 3.28Å; N259-S261 PolarHBondContact O-N 2.91Å; N259-H452 PolarHBondContact O-CE1 2.99Å; N259-H452 PolarHBondContact O-NE2 3.14Å; N259-H452 VanDerWaalsContact O-NE2 3.09Å
260	K	96.7	Very high	95.3	Very high	131 Å²	131	37.1 Å²	37.1	57%	0.57	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	22.4	-178.3	-48.2	179.5	174.8	179.9	0	115.3	Y234 L258 R297	Y234-K260 WeakPolarHBondContact OH-CA 3.46Å; L258-K260 VanDerWaalsContact C-N 3.27Å; L258-K260 PolarHBondContact O-N 3.33Å; K260-R297 WeakPolarHBondContact O-CD 3.49Å; K260-R297 PolarHBondContact O-NH1 3.01Å
261	S	97.1	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.			trans	-85.3	162.3	166.6	69.2	0	0	0	0	112.3	Y234 L258 N259 C448	Y234-S261 WeakPolarHBondContact CE1-O 3.45Å; Y234-S261 PolarHBondContact OH-N 2.03Å; Y234-S261 PolarHBondContact OH-O 3.37Å; L258-S261 VanDerWaalsContact O-CB 3.31Å; L258-S261 WeakPolarHBondContact O-CB 3.39Å; L258-S261 PolarHBondContact O-N 3.2Å; L258-S261 PolarHBondContact O-OG 3.29Å; N259-S261 VanDerWaalsContact C-N 3.28Å; N259-S261 PolarHBondContact O-N 2.91Å; S261-C448 WeakPolarHBondContact CB-O 3.39Å
262	N	97.7	Very high	93.9	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	19%	0.193	C	C	.	.			trans	-89.7	154.9	171.3	-56.3	-64.5	0	0	0	111.3	I264 A295 L296 R297 M300 P344 G345 C448	N262-I264 HydrophobicContact CB-CD1 3.81Å; N262-I264 HydrophobicContact CB-CG1 4.09Å; N262-A295 WeakPolarHBondContact CA-O 3.16Å; N262-L296 HydrophobicContact CB-CD2 4.45Å; N262-L296 WeakPolarHBondContact OD1-CA 3.39Å; N262-R297 PolarHBondContact OD1-N 3.01Å; N262-M300 WeakPolarHBondContact OD1-CB 3.1Å; N262-P344 PolarHBondContact ND2-O 3.48Å; N262-G345 PolarHBondContact N-O 3.38Å; N262-G345 VanDerWaalsContact ND2-C 3.32Å; N262-G345 PolarHBondContact ND2-O 3.09Å; N262-C448 PolarHBondContact O-SG 3.29Å
263	I	97.7	Very high	93.5	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.051	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-100.2	102.1	161.2	-54.8	-56	0	0	0	108.7	L258 A294 A295 F362 V363 A364 F400 L446	L258-I263 HydrophobicContact CD1-CD1 3.59Å; L258-I263 HydrophobicContact CD1-CG1 3.45Å; L258-I263 VanDerWaalsContact CD1-CG1 3.45Å; L258-I263 HydrophobicContact CD2-CD1 3.65Å; L258-I263 HydrophobicContact CD2-CG1 4.38Å; L258-I263 HydrophobicContact CG-CD1 4.23Å; I263-A294 CarbonylContact O-C 3.57Å; I263-A294 WeakPolarHBondContact O-CA 3.48Å; I263-A294 WeakPolarHBondContact O-CB 3.41Å; I263-A295 HydrophobicContact CB-CB 3.99Å; I263-A295 HydrophobicContact CG1-CB 4.21Å; I263-A295 PolarHBondContact N-O 3.2Å; I263-A295 PolarHBondContact O-N 3.08Å; I263-F362 HydrophobicContact CG2-CD2 3.88Å; I263-F362 HydrophobicContact CG2-CE2 3.9Å; I263-V363 HydrophobicContact CB-CG2 4.41Å; I263-V363 HydrophobicContact CD1-CG2 3.65Å; I263-V363 HydrophobicContact CG1-CG2 3.74Å; I263-V363 HydrophobicContact CG2-CG2 3.77Å; I263-A364 HydrophobicContact CG2-CB 3.73Å; I263-F400 HydrophobicContact CG1-CE2 4.1Å; I263-F400 HydrophobicContact CG1-CZ 4.47Å; I263-L446 HydrophobicContact CD1-CD1 4.06Å
264	I	97.3	Very high	93.2	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.051	26%	0.257	C	S	.	.			trans	-132.7	137	175.1	-65	165.8	0	0	0	106.2	N262 A294 L296 M300 F332 A336 Y337	N262-I264 HydrophobicContact CB-CD1 3.81Å; N262-I264 HydrophobicContact CB-CG1 4.09Å; I264-A294 HydrophobicContact CG1-CB 4.03Å; I264-L296 HydrophobicContact CD1-CD2 3.57Å; I264-L296 HydrophobicContact CG1-CD2 3.79Å; I264-M300 HydrophobicContact CD1-CE 4.36Å; I264-F332 HydrophobicContact CD1-CB 4.13Å; I264-F332 HydrophobicContact CG1-CB 4.21Å; I264-F332 HydrophobicContact CG2-CB 3.86Å; I264-A336 HydrophobicContact CB-CB 4.27Å; I264-A336 HydrophobicContact CD1-CB 3.32Å; I264-A336 HydrophobicContact CG1-CB 4.38Å; I264-A336 HydrophobicContact CG2-CB 4.22Å; I264-Y337 HydrophobicContact CG2-CE2 4.21Å; I264-Y337 PolarHBondContact O-OH 2.86Å
265	E	96.3	Very high	92.9	Very high	42 Å²	42	55.6 Å²	55.6	20%	0.196	27%	0.266	C	S	.	.			trans	-76.2	141.5	179.7	-172.7	-177.4	-142.2	0	0	110.6	G290 S291 S333 F362	E265-G290 WeakPolarHBondContact O-CA 3.46Å; E265-S291 WeakPolarHBondContact OE2-CB 3.35Å; E265-S291 PolarHBondContact OE2-N 2.83Å; E265-S333 WeakPolarHBondContact O-CB 3.29Å; E265-F362 HydrophobicContact CB-CB 4.4Å; E265-F362 HydrophobicContact CB-CD1 4.11Å; E265-F362 HydrophobicContact CB-CD2 3.58Å; E265-F362 HydrophobicContact CB-CE1 4.25Å; E265-F362 HydrophobicContact CB-CE2 3.74Å; E265-F362 HydrophobicContact CB-CG 3.76Å; E265-F362 HydrophobicContact CB-CZ 4.06Å; E265-F362 HydrophobicContact CG-CB 4.21Å; E265-F362 HydrophobicContact CG-CD1 4.27Å; E265-F362 HydrophobicContact CG-CD2 4.31Å; E265-F362 HydrophobicContact CG-CG 4.01Å
266	C	94.8	Very high	92.7	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.02	28%	0.28	C	S	.	.			trans	-108.3	130.2	163.2	-153.2	0	0	0	0	111.3	T288 Y337 C350 E352	C266-T288 WeakPolarHBondContact SG-CG2 3.45Å; C266-Y337 HydrophobicContact CB-CD1 4.44Å; C266-Y337 HydrophobicContact CB-CD2 3.98Å; C266-Y337 HydrophobicContact CB-CE1 3.96Å; C266-Y337 HydrophobicContact CB-CE2 3.47Å; C266-Y337 VanDerWaalsContact CB-CE2 3.47Å; C266-Y337 HydrophobicContact CB-CG 4.45Å; C266-Y337 VanDerWaalsContact CB-CZ 3.47Å; C266-C350 HydrophobicContact CB-CB 4.06Å; C266-C350 WeakPolarHBondContact CB-SG 3.3Å; C266-C350 WeakPolarHBondContact SG-CB 3.05Å; C266-C350 CovalentContact SG-SG 2.01Å; C266-C350 PolarHBondContact SG-SG 3.38Å; C266-E352 WeakPolarHBondContact O-CA 3.4Å
267	A	93	Very high	92.5	Very high	8 Å²	8	54.9 Å²	54.9	7%	0.066	27%	0.266	C	S	.	.			trans	-142	44.6	174	0	0	0	0	0	110.7	K269 N270 A271 K289	A267-K269 PolarHBondContact O-N 2.95Å; A267-N270 HydrophobicContact CB-CB 4.45Å; A267-N270 CarbonylContact O-C 3.51Å; A267-N270 PolarHBondContact O-N 3.1Å; A267-A271 PolarHBondContact O-N 3.44Å; A267-K289 HydrophobicContact CB-CG 4.36Å; A267-K289 PolarHBondContact N-O 3.47Å
268	R	86.3	Confident	92.3	Very high	75 Å²	75	58.5 Å²	58.5	28%	0.283	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55.6	-43.6	-171	-173.5	173	-72.9	151	-6.1	113.6	N270 A271 N286 T288 Y337 E352	R268-N270 PolarHBondContact O-N 2.93Å; R268-A271 WeakPolarHBondContact O-CB 3.42Å; R268-A271 PolarHBondContact O-N 3.28Å; R268-N286 PolarHBondContact NE-ND2 2.84Å; R268-T288 HydrophobicContact CB-CG2 4.13Å; R268-T288 PolarHBondContact NE-OG1 3.46Å; R268-T288 VanDerWaalsContact NE-OG1 3.1Å; R268-T288 PolarHBondContact NH2-OG1 2.79Å; R268-Y337 VanDerWaalsContact NH2-CB 3.35Å; R268-Y337 PolarHBondContact NH2-O 3.19Å; R268-E352 PolarHBondContact N-OE1 2.8Å; R268-E352 VanDerWaalsContact N-OE1 3.11Å
269	K	84.2	Confident	92.2	Very high	182 Å²	182	63.1 Å²	63.1	79%	0.791	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.6	-21.2	-179.8	-60.9	175.8	-178.3	177.5	0	112.8	A267 E352	A267-K269 PolarHBondContact O-N 2.95Å; K269-E352 WeakPolarHBondContact CA-OE1 3.47Å; K269-E352 WeakPolarHBondContact CB-OE1 3.35Å; K269-E352 VanDerWaalsContact CG-OE1 3.27Å; K269-E352 WeakPolarHBondContact CG-OE1 3.41Å; K269-E352 PolarHBondContact N-OE1 2.93Å
270	N	78.8	Confident	92	Very high	100 Å²	100	63.4 Å²	63.4	54%	0.535	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-99.7	11.3	-179	-58.8	-48	0	0	0	112.3	A267 R268 P272 K289	A267-N270 HydrophobicContact CB-CB 4.45Å; A267-N270 CarbonylContact O-C 3.51Å; A267-N270 PolarHBondContact O-N 3.1Å; R268-N270 PolarHBondContact O-N 2.93Å; N270-P272 VanDerWaalsContact O-CD 3.23Å; N270-P272 WeakPolarHBondContact O-CD 3.41Å; N270-K289 WeakPolarHBondContact O-CD 3.41Å
271	A	81.6	Confident	92	Very high	20 Å²	20	57.8 Å²	57.8	17%	0.165	29%	0.285	C	S	.	.			trans	-76	114.1	176.8	0	0	0	0	0	109.7	A267 R268 E273 K289	A267-A271 PolarHBondContact O-N 3.44Å; R268-A271 WeakPolarHBondContact O-CB 3.42Å; R268-A271 PolarHBondContact O-N 3.28Å; A271-E273 PolarHBondContact O-N 2.81Å; A271-K289 HydrophobicContact CB-CB 3.6Å; A271-K289 HydrophobicContact CB-CD 4.45Å
272	P	86.2	Confident	92	Very high	34 Å²	34	62.6 Å²	62.6	22%	0.221	32%	0.319	C	S	.	.			trans	-67.6	129.2	174.4	-16.1	32.4	0	0	0	109.6	N270 E274 R275	N270-P272 VanDerWaalsContact O-CD 3.23Å; N270-P272 WeakPolarHBondContact O-CD 3.41Å; P272-E274 HydrophobicContact CB-CG 4.4Å; P272-E274 WeakPolarHBondContact CB-OE1 3.06Å; P272-E274 WeakPolarHBondContact CB-OE2 3.48Å; P272-E274 PolarHBondContact O-N 2.86Å; P272-R275 HydrophobicContact CB-CG 4.2Å; P272-R275 HydrophobicContact CG-CG 4.35Å; P272-R275 WeakPolarHBondContact O-CB 3.34Å; P272-R275 PolarHBondContact O-N 3.22Å
273	E	90.7	Very high	91.9	Very high	167 Å²	167	64.5 Å²	64.5	78%	0.78	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-58	-33.3	-174.6	-67.9	-176.5	176.6	0	0	112.1	A271 R275 I276	A271-E273 PolarHBondContact O-N 2.81Å; E273-R275 PolarHBondContact O-N 3.39Å; E273-R275 VanDerWaalsContact O-N 3.14Å; E273-I276 WeakPolarHBondContact O-CB 3.47Å; E273-I276 PolarHBondContact O-N 3.4Å
274	E	92.1	Very high	91.8	Very high	135 Å²	135	69.9 Å²	69.9	63%	0.631	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-63.2	-19.7	178.4	72.2	-82.6	-169.5	0	0	113.6	P272 K325	P272-E274 HydrophobicContact CB-CG 4.4Å; P272-E274 WeakPolarHBondContact CB-OE1 3.06Å; P272-E274 WeakPolarHBondContact CB-OE2 3.48Å; P272-E274 PolarHBondContact O-N 2.86Å; E274-K325 WeakPolarHBondContact O-CE 3.39Å; E274-K325 WeakPolarHBondContact O-CG 3.29Å
275	R	91.9	Very high	91.7	Very high	53 Å²	53	70.2 Å²	70.2	20%	0.2	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-84.2	-17.8	176.3	-62.2	-168.7	-169	-177.1	-1.9	112.9	P272 E273 K325 I326 E329 L330	P272-R275 HydrophobicContact CB-CG 4.2Å; P272-R275 HydrophobicContact CG-CG 4.35Å; P272-R275 WeakPolarHBondContact O-CB 3.34Å; P272-R275 PolarHBondContact O-N 3.22Å; E273-R275 PolarHBondContact O-N 3.39Å; E273-R275 VanDerWaalsContact O-N 3.14Å; R275-K325 VanDerWaalsContact CB-O 3.29Å; R275-K325 WeakPolarHBondContact CB-O 3.35Å; R275-K325 WeakPolarHBondContact CG-O 3.45Å; R275-K325 WeakPolarHBondContact O-CB 3.32Å; R275-I326 VanDerWaalsContact CZ-CD1 3.47Å; R275-E329 IonicContact CZ-OE2 3.93Å; R275-E329 IonicContact NH1-OE2 2.72Å; R275-E329 PolarHBondContact NH1-OE2 2.94Å; R275-L330 HydrophobicContact CB-CD1 4.31Å; R275-L330 WeakPolarHBondContact O-CD1 3.38Å
276	I	93.4	Very high	91.5	Very high	56 Å²	56	72 Å²	72	29%	0.287	37%	0.373	S	S	.	.	S	Bend	trans	-69.2	130.6	-178.2	-60.3	-179.3	0	0	0	109	E273 S278 W287 K325	E273-I276 WeakPolarHBondContact O-CB 3.47Å; E273-I276 PolarHBondContact O-N 3.4Å; I276-S278 PolarHBondContact O-N 3.29Å; I276-W287 HydrophobicContact CG1-CB 4.31Å; I276-W287 HydrophobicContact CG2-CB 3.93Å; I276-W287 VanDerWaalsContact CG2-CD1 3.44Å; I276-W287 HydrophobicContact CG2-CG 3.73Å; I276-K325 PolarHBondContact O-NZ 2.88Å
277	P	94.5	Very high	91.5	Very high	4 Å²	4	72.4 Å²	72.4	3%	0.026	37%	0.374	C	S	.	.			trans	-57.2	138.1	175.5	-29.3	38.6	0	0	0	112.3	Q280 W287 I316 L317 E320	P277-Q280 PolarHBondContact O-NE2 3.04Å; P277-W287 HydrophobicContact CB-CH2 4.21Å; P277-W287 HydrophobicContact CB-CZ2 3.83Å; P277-W287 HydrophobicContact CG-CD2 4.07Å; P277-W287 HydrophobicContact CG-CE3 4.02Å; P277-W287 HydrophobicContact CG-CH2 3.65Å; P277-W287 HydrophobicContact CG-CZ2 3.68Å; P277-W287 HydrophobicContact CG-CZ3 3.82Å; P277-I316 HydrophobicContact CB-CG2 3.49Å; P277-I316 VanDerWaalsContact CB-CG2 3.49Å; P277-I316 HydrophobicContact CG-CG2 4.09Å; P277-L317 HydrophobicContact CG-CD2 3.73Å; P277-E320 VanDerWaalsContact CA-OE2 3.26Å; P277-E320 WeakPolarHBondContact CA-OE2 2.98Å
278	S	94	Very high	91.6	Very high	92 Å²	92	72 Å²	72	64%	0.643	37%	0.371	S	S	*	.	S	Bend	trans	-76.7	-35.3	178.9	-60.6	0	0	0	0	110.3	I276 E320 K325	I276-S278 PolarHBondContact O-N 3.29Å; S278-E320 PolarHBondContact N-OE1 2.99Å; S278-E320 PolarHBondContact N-OE2 3.3Å; S278-K325 PolarHBondContact OG-NZ 3.12Å; S278-K325 VanDerWaalsContact OG-NZ 3.13Å
279	K	94.7	Very high	92	Very high	96 Å²	96	70.2 Å²	70.2	42%	0.417	37%	0.365	S	S	.	.	S	Bend	trans	-71.9	139	170	-69.2	174.4	175.9	178.4	0	111	I316 E319 E320	K279-I316 HydrophobicContact CB-CG1 4.3Å; K279-I316 HydrophobicContact CB-CG2 4.05Å; K279-E319 WeakPolarHBondContact CD-OE2 3.37Å; K279-E319 IonicContact NZ-OE2 2.65Å; K279-E319 PolarHBondContact NZ-OE2 3.17Å; K279-E320 WeakPolarHBondContact CB-OE1 3.47Å; K279-E320 WeakPolarHBondContact CG-OE1 3.2Å; K279-E320 PolarHBondContact N-OE1 3.04Å
280	Q	93.9	Very high	92.6	Very high	111 Å²	111	61.6 Å²	61.6	52%	0.519	33%	0.328	S	S	.	.			trans	-107	145.3	174.6	-61	-56.3	-38.2	0	0	110.5	P277	P277-Q280 PolarHBondContact O-NE2 3.04Å
281	P	96.2	Very high	93.3	Very high	12 Å²	12	57.2 Å²	57.2	8%	0.078	31%	0.305	C	S	.	.			trans	-72.3	171.7	170.7	28.8	-28.8	0	0	0	111.1	F283 V285 E312 I316	P281-F283 HydrophobicContact CB-CD1 4.16Å; P281-F283 HydrophobicContact CB-CD2 4.38Å; P281-F283 HydrophobicContact CB-CE1 3.75Å; P281-F283 HydrophobicContact CB-CE2 4.01Å; P281-F283 HydrophobicContact CB-CG 4.46Å; P281-F283 HydrophobicContact CB-CZ 3.68Å; P281-F283 HydrophobicContact CG-CD2 4.07Å; P281-F283 HydrophobicContact CG-CE1 4.4Å; P281-F283 HydrophobicContact CG-CE2 3.75Å; P281-F283 HydrophobicContact CG-CZ 3.94Å; P281-F283 WeakPolarHBondContact CG-O 3.47Å; P281-F283 PolarHBondContact O-N 2.66Å; P281-V285 HydrophobicContact CG-CB 3.95Å; P281-V285 HydrophobicContact CG-CG1 3.52Å; P281-E312 WeakPolarHBondContact CA-OE1 3.18Å; P281-E312 HydrophobicContact CB-CG 3.86Å; P281-I316 HydrophobicContact CB-CD1 3.71Å; P281-I316 HydrophobicContact CG-CD1 4.19Å; P281-I316 VanDerWaalsContact N-CD1 3.3Å
282	S	96.5	Very high	94	Very high	102 Å²	102	57.4 Å²	57.4	71%	0.713	30%	0.303	S	S	*	.	S	Bend	trans	-63.7	-1.8	177.5	65.8	0	0	0	0	114.9	E312	S282-E312 WeakPolarHBondContact CB-OE1 3.44Å; S282-E312 WeakPolarHBondContact CB-OE2 3.19Å; S282-E312 VanDerWaalsContact N-CD 3.28Å; S282-E312 PolarHBondContact N-OE1 2.87Å; S282-E312 PolarHBondContact N-OE2 3.43Å; S282-E312 PolarHBondContact OG-OE1 3.04Å; S282-E312 PolarHBondContact OG-OE2 3.34Å
283	F	96	Very high	94.6	Very high	42 Å²	42	56.3 Å²	56.3	18%	0.184	30%	0.295	C	S	.	.	S	Bend	trans	-135.3	160.4	-179.2	50.8	-92.5	0	0	0	110.6	P281 V285 R309 E312 I313 L341	P281-F283 HydrophobicContact CB-CD1 4.16Å; P281-F283 HydrophobicContact CB-CD2 4.38Å; P281-F283 HydrophobicContact CB-CE1 3.75Å; P281-F283 HydrophobicContact CB-CE2 4.01Å; P281-F283 HydrophobicContact CB-CG 4.46Å; P281-F283 HydrophobicContact CB-CZ 3.68Å; P281-F283 HydrophobicContact CG-CD2 4.07Å; P281-F283 HydrophobicContact CG-CE1 4.4Å; P281-F283 HydrophobicContact CG-CE2 3.75Å; P281-F283 HydrophobicContact CG-CZ 3.94Å; P281-F283 WeakPolarHBondContact CG-O 3.47Å; P281-F283 PolarHBondContact O-N 2.66Å; F283-V285 HydrophobicContact CD2-CB 4.44Å; F283-V285 HydrophobicContact CE2-CB 4.27Å; F283-V285 PolarHBondContact O-N 3.12Å; F283-R309 HydrophobicContact CD1-CB 4.37Å; F283-R309 HydrophobicContact CD1-CG 3.94Å; F283-R309 HydrophobicContact CE1-CB 3.57Å; F283-R309 HydrophobicContact CE1-CG 3.62Å; F283-R309 HydrophobicContact CE2-CB 4.38Å; F283-R309 HydrophobicContact CZ-CB 3.57Å; F283-R309 HydrophobicContact CZ-CG 4.06Å; F283-E312 HydrophobicContact CE1-CB 4.32Å; F283-E312 WeakPolarHBondContact CE1-OE2 3.44Å; F283-I313 HydrophobicContact CE2-CD1 3.99Å; F283-I313 HydrophobicContact CE2-CG1 4.34Å; F283-I313 HydrophobicContact CZ-CD1 3.96Å; F283-I313 HydrophobicContact CZ-CG1 4.01Å; F283-L341 HydrophobicContact CD2-CD2 3.5Å; F283-L341 VanDerWaalsContact CD2-CD2 3.5Å; F283-L341 HydrophobicContact CE2-CD1 4.4Å; F283-L341 HydrophobicContact CE2-CD2 3.39Å; F283-L341 HydrophobicContact CG-CD2 4.35Å; F283-L341 HydrophobicContact CZ-CD2 4.18Å
284	V	95.2	Very high	94.9	Very high	124 Å²	124	48.4 Å²	48.4	75%	0.752	26%	0.257	S	S	*	.			trans	-67.5	123.9	176.6	-179.8	0	0	0	0	109.6	Q340	V284-Q340 PolarHBondContact O-NE2 3.37Å
285	V	94.5	Very high	95.2	Very high	16 Å²	16	42 Å²	42	10%	0.097	23%	0.227	C	C	.	.			trans	-127.3	133.4	175.8	72	0	0	0	0	109.9	P281 F283 W287 I313 T334	P281-V285 HydrophobicContact CG-CB 3.95Å; P281-V285 HydrophobicContact CG-CG1 3.52Å; F283-V285 HydrophobicContact CD2-CB 4.44Å; F283-V285 HydrophobicContact CE2-CB 4.27Å; F283-V285 PolarHBondContact O-N 3.12Å; V285-W287 HydrophobicContact CG1-CD2 4.27Å; V285-W287 HydrophobicContact CG1-CG 4.46Å; V285-W287 HydrophobicContact CG1-CZ2 4Å; V285-I313 HydrophobicContact CG2-CD1 4.25Å; V285-T334 HydrophobicContact CG2-CG2 3.32Å
286	N	93.3	Very high	95.5	Very high	80 Å²	80	39.5 Å²	39.5	43%	0.428	22%	0.218	S	C	.	.			trans	-98.1	98.6	168.2	-170.6	-0.5	0	0	0	108.6	R268 T288 N338	R268-N286 PolarHBondContact NE-ND2 2.84Å; N286-T288 PolarHBondContact O-N 3Å; N286-T288 VanDerWaalsContact O-N 3.13Å; N286-T288 PolarHBondContact O-OG1 3.35Å; N286-N338 WeakPolarHBondContact CB-OD1 3.37Å; N286-N338 PolarHBondContact N-OD1 3.41Å; N286-N338 PolarHBondContact O-ND2 3.11Å
287	W	94.3	Very high	95.7	Very high	11 Å²	11	38.2 Å²	38.2	4%	0.042	21%	0.21	C	C	.	.			trans	-57.4	118	179.1	-67.2	101.6	0	0	0	110.1	I276 P277 V285 I313 I316 L317 T334	I276-W287 HydrophobicContact CG1-CB 4.31Å; I276-W287 HydrophobicContact CG2-CB 3.93Å; I276-W287 VanDerWaalsContact CG2-CD1 3.44Å; I276-W287 HydrophobicContact CG2-CG 3.73Å; P277-W287 HydrophobicContact CB-CH2 4.21Å; P277-W287 HydrophobicContact CB-CZ2 3.83Å; P277-W287 HydrophobicContact CG-CD2 4.07Å; P277-W287 HydrophobicContact CG-CE3 4.02Å; P277-W287 HydrophobicContact CG-CH2 3.65Å; P277-W287 HydrophobicContact CG-CZ2 3.68Å; P277-W287 HydrophobicContact CG-CZ3 3.82Å; V285-W287 HydrophobicContact CG1-CD2 4.27Å; V285-W287 HydrophobicContact CG1-CG 4.46Å; V285-W287 HydrophobicContact CG1-CZ2 4Å; W287-I313 HydrophobicContact CH2-CG1 4.45Å; W287-I313 HydrophobicContact CH2-CG2 4.12Å; W287-I313 HydrophobicContact CZ3-CG2 4.05Å; W287-I316 HydrophobicContact CH2-CG2 4.09Å; W287-I316 HydrophobicContact CZ2-CG2 4.11Å; W287-L317 HydrophobicContact CH2-CD2 4.25Å; W287-L317 HydrophobicContact CH2-CG 4.44Å; W287-L317 HydrophobicContact CZ3-CD2 3.83Å; W287-L317 HydrophobicContact CZ3-CG 4.24Å; W287-T334 HydrophobicContact CD2-CG2 4.39Å; W287-T334 HydrophobicContact CE3-CG2 3.79Å; W287-T334 HydrophobicContact CZ3-CG2 4.12Å
288	T	94.8	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.			trans	-120.9	124.5	-171.1	-60.8	0	0	0	0	108.7	C266 R268 N286 S333 T334 Y337	C266-T288 WeakPolarHBondContact SG-CG2 3.45Å; R268-T288 HydrophobicContact CB-CG2 4.13Å; R268-T288 PolarHBondContact NE-OG1 3.46Å; R268-T288 VanDerWaalsContact NE-OG1 3.1Å; R268-T288 PolarHBondContact NH2-OG1 2.79Å; N286-T288 PolarHBondContact O-N 3Å; N286-T288 VanDerWaalsContact O-N 3.13Å; N286-T288 PolarHBondContact O-OG1 3.35Å; T288-S333 VanDerWaalsContact O-CB 3.29Å; T288-S333 WeakPolarHBondContact O-CB 3.35Å; T288-S333 PolarHBondContact O-OG 2.88Å; T288-T334 PolarHBondContact N-OG1 3.14Å; T288-T334 PolarHBondContact O-OG1 2.9Å; T288-Y337 HydrophobicContact CG2-CD2 4.04Å; T288-Y337 HydrophobicContact CG2-CG 4.36Å
289	K	95.5	Very high	96.1	Very high	38 Å²	38	40.4 Å²	40.4	17%	0.165	21%	0.207	C	C	.	.			trans	-75	147	172.5	179.3	175.2	177	-76.2	0	111.5	A267 N270 A271 E329 L330	A267-K289 HydrophobicContact CB-CG 4.36Å; A267-K289 PolarHBondContact N-O 3.47Å; N270-K289 WeakPolarHBondContact O-CD 3.41Å; A271-K289 HydrophobicContact CB-CB 3.6Å; A271-K289 HydrophobicContact CB-CD 4.45Å; K289-E329 CarbonylContact C-O 3.56Å; K289-E329 VanDerWaalsContact CA-O 3.3Å; K289-E329 WeakPolarHBondContact CA-O 3.4Å; K289-E329 WeakPolarHBondContact CE-OE2 3.34Å; K289-L330 HydrophobicContact CB-CD2 4.18Å
290	G	95.5	Very high	96.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	19%	0.187	C	C	.	.			trans	-165.7	-162.4	172.4	0	0	0	0	0	111.1	E265 E329 S333	E265-G290 WeakPolarHBondContact O-CA 3.46Å; G290-E329 PolarHBondContact N-O 3.27Å; G290-E329 WeakPolarHBondContact O-CA 3.2Å; G290-E329 WeakPolarHBondContact O-CB 3.2Å; G290-S333 PolarHBondContact N-OG 2.81Å
291	S	95	Very high	96.5	Very high	8 Å²	8	30.6 Å²	30.6	6%	0.056	16%	0.162	C	C	.	.			trans	-90.6	143	176.9	170.4	0	0	0	0	109.6	E265 H293	E265-S291 WeakPolarHBondContact OE2-CB 3.35Å; E265-S291 PolarHBondContact OE2-N 2.83Å; S291-H293 PolarHBondContact O-N 3.13Å; S291-H293 WeakPolarHBondContact OG-CB 3.41Å; S291-H293 PolarHBondContact OG-N 3.44Å; S291-H293 PolarHBondContact OG-O 3.27Å
292	F	96.2	Very high	96.6	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.105	18%	0.175	C	C	.	.	S	Bend	trans	-63.1	-31.2	165.4	177.2	-118.3	0	0	0	111.7	L146 V213 F217 N237 D328 F332	L146-F292 HydrophobicContact CD2-CE1 4.44Å; V213-F292 HydrophobicContact CG1-CD1 4.08Å; V213-F292 HydrophobicContact CG1-CD2 4.39Å; V213-F292 HydrophobicContact CG1-CE1 3.77Å; V213-F292 HydrophobicContact CG1-CE2 4.1Å; V213-F292 HydrophobicContact CG1-CG 4.36Å; V213-F292 HydrophobicContact CG1-CZ 3.75Å; F217-F292 HydrophobicContact CB-CE2 4.06Å; F217-F292 HydrophobicContact CB-CZ 3.67Å; F217-F292 HydrophobicContact CG-CE2 4.48Å; F217-F292 HydrophobicContact CG-CZ 4.36Å; N237-F292 WeakPolarHBondContact ND2-CD1 3.42Å; N237-F292 WeakPolarHBondContact ND2-CE1 3.21Å; N237-F292 PolarHBondContact ND2-O 2.7Å; F292-D328 HydrophobicContact CB-CB 4.08Å; F292-D328 HydrophobicContact CD2-CB 3.66Å; F292-D328 HydrophobicContact CE2-CB 4.3Å; F292-D328 HydrophobicContact CG-CB 4Å; F292-F332 HydrophobicContact CD2-CD2 4.28Å; F292-F332 AromaticContact CD2-CE2 3.64Å; F292-F332 HydrophobicContact CD2-CE2 3.64Å; F292-F332 AromaticContact CE2-CE2 3.82Å; F292-F332 HydrophobicContact CE2-CE2 3.82Å; F292-F332 HydrophobicContact CE2-CZ 4.32Å; F292-F332 HydrophobicContact CG-CE2 4.49Å; F292-F332 WeakPolarHBondContact O-CD2 3.31Å; F292-F332 WeakPolarHBondContact O-CE2 3.25Å
293	H	97.5	Very high	96.7	Very high	11 Å²	11	28.9 Å²	28.9	5%	0.051	14%	0.144	C	C	.	.			trans	-71.6	136.4	177.1	-61.2	119.7	0	0	0	111.4	N237 N239 E242 S291 F362 R365 K367	N237-H293 PolarHBondContact O-CD2 2.05Å; N237-H293 WeakPolarHBondContact OD1-CA 3.36Å; N239-H293 PolarHBondContact ND2-CE1 2.91Å; N239-H293 PolarHBondContact ND2-NE2 3.49Å; E242-H293 IonicContact OE1-CD2 3.49Å; E242-H293 IonicContact OE1-CE1 3.83Å; E242-H293 IonicContact OE1-NE2 2.65Å; E242-H293 IonicContact OE2-CD2 3.71Å; E242-H293 IonicContact OE2-CE1 2.63Å; E242-H293 IonicContact OE2-NE2 3.21Å; E242-H293 PolarHBondContact OE2-NE2 2.69Å; S291-H293 PolarHBondContact O-N 3.13Å; S291-H293 WeakPolarHBondContact OG-CB 3.41Å; S291-H293 PolarHBondContact OG-N 3.44Å; S291-H293 PolarHBondContact OG-O 3.27Å; H293-F362 HydrophobicContact CB-CZ 4.45Å; H293-F362 WeakPolarHBondContact O-CZ 3.49Å; H293-R365 HydrophobicContact CB-CB 4.42Å; H293-R365 HydrophobicContact CB-CG 3.86Å; H293-K367 PolarHBondContact CE1-NZ 3.43Å; H293-K367 VanDerWaalsContact CE1-NZ 3.35Å; H293-K367 WeakPolarHBondContact ND1-CE 3.47Å; H293-K367 PolarHBondContact ND1-NZ 2.8Å
294	A	98.1	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.			trans	-151.9	166.5	-177	0	0	0	0	0	112.3	N237 I263 I264 L296 F332	N237-A294 PolarHBondContact OD1-N 3.48Å; N237-A294 PolarHBondContact OD1-O 2.82Å; I263-A294 CarbonylContact O-C 3.57Å; I263-A294 WeakPolarHBondContact O-CA 3.48Å; I263-A294 WeakPolarHBondContact O-CB 3.41Å; I264-A294 HydrophobicContact CG1-CB 4.03Å; A294-L296 HydrophobicContact CB-CD2 3.73Å; A294-L296 HydrophobicContact CB-CG 3.98Å; A294-F332 HydrophobicContact CB-CD2 4.27Å
295	A	98.4	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114	158	0	0	0	0	0	108	Y234 L236 L255 N262 I263 F400	Y234-A295 HydrophobicContact CD1-CB 4.18Å; L236-A295 HydrophobicContact CD1-CB 4.23Å; L236-A295 HydrophobicContact CD2-CB 4.36Å; L236-A295 HydrophobicContact CG-CB 3.9Å; L255-A295 HydrophobicContact CD2-CB 4.01Å; N262-A295 WeakPolarHBondContact CA-O 3.16Å; I263-A295 HydrophobicContact CB-CB 3.99Å; I263-A295 HydrophobicContact CG1-CB 4.21Å; I263-A295 PolarHBondContact N-O 3.2Å; I263-A295 PolarHBondContact O-N 3.08Å; A295-F400 HydrophobicContact CB-CE2 4.17Å
296	L	98.5	Very high	97.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.6	-171.3	-54.1	175.7	0	0	0	109.6	F217 Y234 L235 N262 I264 A294 M300 V301 I304 F332	F217-L296 HydrophobicContact CE2-CD1 4.42Å; F217-L296 HydrophobicContact CZ-CD1 3.73Å; Y234-L296 CarbonylContact C-O 3.46Å; Y234-L296 WeakPolarHBondContact CA-O 3.15Å; Y234-L296 VanDerWaalsContact CD1-C 3.45Å; Y234-L296 WeakPolarHBondContact CD1-O 3.41Å; L235-L296 HydrophobicContact CD2-CD1 4.49Å; L235-L296 PolarHBondContact N-O 2.85Å; L235-L296 PolarHBondContact O-N 3.3Å; N262-L296 HydrophobicContact CB-CD2 4.45Å; N262-L296 WeakPolarHBondContact OD1-CA 3.39Å; I264-L296 HydrophobicContact CD1-CD2 3.57Å; I264-L296 HydrophobicContact CG1-CD2 3.79Å; A294-L296 HydrophobicContact CB-CD2 3.73Å; A294-L296 HydrophobicContact CB-CG 3.98Å; L296-M300 HydrophobicContact CB-CB 4.46Å; L296-M300 HydrophobicContact CB-CG 4.42Å; L296-M300 HydrophobicContact CD2-CG 4.12Å; L296-V301 HydrophobicContact CB-CG2 3.94Å; L296-V301 HydrophobicContact CD1-CG2 4.27Å; L296-I304 HydrophobicContact CD1-CD1 3.86Å; L296-F332 HydrophobicContact CD1-CD1 4Å; L296-F332 HydrophobicContact CD1-CE1 3.6Å; L296-F332 HydrophobicContact CD1-CZ 4.19Å; L296-F332 HydrophobicContact CD2-CD1 4.35Å
297	R	97.9	Very high	97.4	Very high	29 Å²	29	23.7 Å²	23.7	11%	0.109	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	156	169.3	71	-174.5	-68.9	-171.6	-13.8	110.5	Q233 Y234 K260 N262 E299 M300 V301	Q233-R297 WeakPolarHBondContact O-CA 3.49Å; Y234-R297 HydrophobicContact CE1-CB 4.21Å; Y234-R297 HydrophobicContact CE2-CB 4.32Å; K260-R297 WeakPolarHBondContact O-CD 3.49Å; K260-R297 PolarHBondContact O-NH1 3.01Å; N262-R297 PolarHBondContact OD1-N 3.01Å; R297-E299 VanDerWaalsContact C-N 3.25Å; R297-E299 HydrophobicContact CG-CB 4.48Å; R297-E299 IonicContact CZ-OE1 3.67Å; R297-E299 IonicContact CZ-OE2 2.76Å; R297-E299 IonicContact NE-OE1 3.15Å; R297-E299 IonicContact NE-OE2 3.44Å; R297-E299 PolarHBondContact NE-OE2 3.27Å; R297-E299 IonicContact NH2-OE1 3.78Å; R297-E299 PolarHBondContact NH2-OE1 2.96Å; R297-E299 IonicContact NH2-OE2 3.97Å; R297-E299 PolarHBondContact NH2-OE2 2.75Å; R297-E299 PolarHBondContact O-N 3.29Å; R297-M300 HydrophobicContact CG-CB 3.88Å; R297-M300 WeakPolarHBondContact O-CB 3.27Å; R297-M300 PolarHBondContact O-N 3.26Å; R297-V301 PolarHBondContact O-N 3.42Å
298	R	98.2	Very high	97.6	Very high	63 Å²	63	31.6 Å²	31.6	24%	0.238	14%	0.144	C	C	.	.	H	α-helix	trans	-53.2	-40.1	-178.2	-173.8	172.8	-170.8	-63.5	-7.8	114.1	F225 W232 Q233 M300 V301 D302	F225-R298 HydrophobicContact CD2-CG 4.44Å; F225-R298 HydrophobicContact CE2-CG 4.26Å; F225-R298 VanDerWaalsContact CE2-CZ 3.44Å; F225-R298 PolarHBondContact O-NH2 2.76Å; W232-R298 HydrophobicContact CD2-CG 4.39Å; W232-R298 HydrophobicContact CE3-CB 3.87Å; W232-R298 HydrophobicContact CE3-CG 4.08Å; W232-R298 HydrophobicContact CH2-CB 3.89Å; W232-R298 HydrophobicContact CH2-CG 3.63Å; W232-R298 HydrophobicContact CZ2-CG 3.95Å; W232-R298 HydrophobicContact CZ3-CB 3.48Å; W232-R298 VanDerWaalsContact CZ3-CB 3.48Å; W232-R298 HydrophobicContact CZ3-CG 3.71Å; W232-R298 VanDerWaalsContact O-CD 3.29Å; W232-R298 WeakPolarHBondContact O-CD 3.46Å; Q233-R298 PolarHBondContact O-N 2.98Å; R298-M300 VanDerWaalsContact C-N 3.32Å; R298-M300 PolarHBondContact O-N 3.5Å; R298-V301 WeakPolarHBondContact O-CB 3.24Å; R298-V301 PolarHBondContact O-N 3.49Å; R298-D302 PolarHBondContact O-N 2.88Å
299	E	98.2	Very high	97.7	Very high	80 Å²	80	34.7 Å²	34.7	37%	0.374	16%	0.156	S	C	.	.	H	α-helix	trans	-69.9	-28.9	-179.7	-55.6	93.2	141.7	0	0	112.7	R297 V301 D302 Y303 P344	R297-E299 VanDerWaalsContact C-N 3.25Å; R297-E299 HydrophobicContact CG-CB 4.48Å; R297-E299 IonicContact CZ-OE1 3.67Å; R297-E299 IonicContact CZ-OE2 2.76Å; R297-E299 IonicContact NE-OE1 3.15Å; R297-E299 IonicContact NE-OE2 3.44Å; R297-E299 PolarHBondContact NE-OE2 3.27Å; R297-E299 IonicContact NH2-OE1 3.78Å; R297-E299 PolarHBondContact NH2-OE1 2.96Å; R297-E299 IonicContact NH2-OE2 3.97Å; R297-E299 PolarHBondContact NH2-OE2 2.75Å; R297-E299 PolarHBondContact O-N 3.29Å; E299-V301 VanDerWaalsContact C-N 3.33Å; E299-D302 WeakPolarHBondContact O-CB 3.21Å; E299-D302 PolarHBondContact O-N 3.25Å; E299-Y303 WeakPolarHBondContact O-CB 3.32Å; E299-Y303 PolarHBondContact O-N 2.9Å; E299-P344 HydrophobicContact CB-CB 3.73Å; E299-P344 HydrophobicContact CB-CG 3.84Å
300	M	98.4	Very high	97.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.6	-36.7	172.6	179.6	57.2	177.7	0	0	110.9	N262 I264 L296 R297 R298 Y303 I304 L335 A343	N262-M300 WeakPolarHBondContact OD1-CB 3.1Å; I264-M300 HydrophobicContact CD1-CE 4.36Å; L296-M300 HydrophobicContact CB-CB 4.46Å; L296-M300 HydrophobicContact CB-CG 4.42Å; L296-M300 HydrophobicContact CD2-CG 4.12Å; R297-M300 HydrophobicContact CG-CB 3.88Å; R297-M300 WeakPolarHBondContact O-CB 3.27Å; R297-M300 PolarHBondContact O-N 3.26Å; R298-M300 VanDerWaalsContact C-N 3.32Å; R298-M300 PolarHBondContact O-N 3.5Å; M300-Y303 WeakPolarHBondContact O-CB 3.36Å; M300-Y303 PolarHBondContact O-N 3.43Å; M300-Y303 HydrophobicContact SD-CD1 4.39Å; M300-I304 HydrophobicContact CE-CD1 4.01Å; M300-I304 HydrophobicContact CE-CG1 4.17Å; M300-I304 HydrophobicContact CG-CD1 4.03Å; M300-I304 WeakPolarHBondContact O-CB 3.32Å; M300-I304 WeakPolarHBondContact O-CD1 3.44Å; M300-I304 VanDerWaalsContact O-CG1 3.27Å; M300-I304 WeakPolarHBondContact O-CG1 3.47Å; M300-I304 PolarHBondContact O-N 2.91Å; M300-I304 HydrophobicContact SD-CD1 4.45Å; M300-L335 HydrophobicContact CE-CB 3.66Å; M300-L335 HydrophobicContact CE-CD1 4.24Å; M300-A343 HydrophobicContact CE-CB 4.37Å; M300-A343 HydrophobicContact SD-CB 3.86Å
301	V	98.5	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-41.8	174.6	-178.9	0	0	0	0	110.8	F225 W232 L235 L296 R297 R298 E299 Y303 I304 L305	F225-V301 HydrophobicContact CD2-CG1 4.39Å; W232-V301 HydrophobicContact CH2-CB 3.85Å; W232-V301 HydrophobicContact CH2-CG1 4.1Å; W232-V301 HydrophobicContact CH2-CG2 3.78Å; W232-V301 HydrophobicContact CZ3-CG2 4.25Å; L235-V301 HydrophobicContact CB-CG2 3.84Å; L235-V301 HydrophobicContact CD2-CG1 4.33Å; L235-V301 HydrophobicContact CD2-CG2 3.65Å; L235-V301 HydrophobicContact CG-CG2 4.38Å; L296-V301 HydrophobicContact CB-CG2 3.94Å; L296-V301 HydrophobicContact CD1-CG2 4.27Å; R297-V301 PolarHBondContact O-N 3.42Å; R298-V301 WeakPolarHBondContact O-CB 3.24Å; R298-V301 PolarHBondContact O-N 3.49Å; E299-V301 VanDerWaalsContact C-N 3.33Å; V301-Y303 VanDerWaalsContact C-N 3.33Å; V301-Y303 PolarHBondContact O-N 2.93Å; V301-I304 WeakPolarHBondContact O-CB 3.14Å; V301-I304 PolarHBondContact O-N 3.21Å; V301-L305 HydrophobicContact CG1-CD1 3.96Å; V301-L305 HydrophobicContact CG1-CG 4.38Å; V301-L305 WeakPolarHBondContact O-CB 3.23Å; V301-L305 VanDerWaalsContact O-CG 3.29Å; V301-L305 WeakPolarHBondContact O-CG 3.46Å; V301-L305 PolarHBondContact O-N 3.17Å
302	D	98.5	Very high	98.2	Very high	65 Å²	65	38.6 Å²	38.6	35%	0.348	18%	0.176	S	C	.	.	H	α-helix	trans	-56	-48.9	172.4	-170.8	33	0	0	0	111.6	F225 R298 E299 I304 L305 H306	F225-D302 HydrophobicContact CE2-CB 3.56Å; F225-D302 HydrophobicContact CZ-CB 3.67Å; F225-D302 WeakPolarHBondContact CZ-OD1 3.42Å; R298-D302 PolarHBondContact O-N 2.88Å; E299-D302 WeakPolarHBondContact O-CB 3.21Å; E299-D302 PolarHBondContact O-N 3.25Å; D302-I304 PolarHBondContact O-N 3.2Å; D302-L305 PolarHBondContact O-N 3.12Å; D302-L305 VanDerWaalsContact O-N 3.15Å; D302-H306 PolarHBondContact O-N 2.76Å; D302-H306 PolarHBondContact O-ND1 3.06Å; D302-H306 IonicContact OD1-CE1 2.76Å; D302-H306 PolarHBondContact OD1-CE1 3.46Å; D302-H306 IonicContact OD1-CG 3.49Å; D302-H306 IonicContact OD1-ND1 3.71Å; D302-H306 PolarHBondContact OD1-ND1 3.3Å
303	Y	98.6	Very high	98.2	Very high	14 Å²	14	37.5 Å²	37.5	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-57.1	-46.9	176	-178	-83.9	0	0	0	112	E299 M300 V301 L305 H306 D307 R309 A310 L335 L341 A343	E299-Y303 WeakPolarHBondContact O-CB 3.32Å; E299-Y303 PolarHBondContact O-N 2.9Å; M300-Y303 WeakPolarHBondContact O-CB 3.36Å; M300-Y303 PolarHBondContact O-N 3.43Å; M300-Y303 HydrophobicContact SD-CD1 4.39Å; V301-Y303 VanDerWaalsContact C-N 3.33Å; V301-Y303 PolarHBondContact O-N 2.93Å; Y303-L305 VanDerWaalsContact C-N 3.28Å; Y303-L305 PolarHBondContact O-N 2.75Å; Y303-H306 PolarHBondContact O-N 3.01Å; Y303-D307 HydrophobicContact CD1-CB 4.21Å; Y303-D307 HydrophobicContact CD2-CB 3.56Å; Y303-D307 HydrophobicContact CE1-CB 4.2Å; Y303-D307 HydrophobicContact CE2-CB 3.59Å; Y303-D307 WeakPolarHBondContact CE2-OD2 3.33Å; Y303-D307 HydrophobicContact CG-CB 3.87Å; Y303-D307 WeakPolarHBondContact O-CB 3.49Å; Y303-D307 PolarHBondContact O-N 3.43Å; Y303-R309 PolarHBondContact OH-NE 3.47Å; Y303-A310 HydrophobicContact CD1-CB 3.99Å; Y303-A310 HydrophobicContact CE1-CB 3.77Å; Y303-A310 VanDerWaalsContact O-CB 3.28Å; Y303-A310 WeakPolarHBondContact O-CB 3.45Å; Y303-L335 HydrophobicContact CE1-CD2 4.28Å; Y303-L341 PolarHBondContact OH-O 3.47Å; Y303-A343 HydrophobicContact CD1-CB 3.69Å; Y303-A343 HydrophobicContact CD2-CB 4.1Å; Y303-A343 HydrophobicContact CE1-CB 3.56Å; Y303-A343 HydrophobicContact CE2-CB 3.94Å; Y303-A343 HydrophobicContact CG-CB 3.98Å
304	I	98.5	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-39.7	177.4	-77.8	160	0	0	0	112.1	L218 L296 M300 V301 D302 R314 F331 F332 L335	L218-I304 HydrophobicContact CD2-CG2 3.56Å; L296-I304 HydrophobicContact CD1-CD1 3.86Å; M300-I304 HydrophobicContact CE-CD1 4.01Å; M300-I304 HydrophobicContact CE-CG1 4.17Å; M300-I304 HydrophobicContact CG-CD1 4.03Å; M300-I304 WeakPolarHBondContact O-CB 3.32Å; M300-I304 WeakPolarHBondContact O-CD1 3.44Å; M300-I304 VanDerWaalsContact O-CG1 3.27Å; M300-I304 WeakPolarHBondContact O-CG1 3.47Å; M300-I304 PolarHBondContact O-N 2.91Å; M300-I304 HydrophobicContact SD-CD1 4.45Å; V301-I304 WeakPolarHBondContact O-CB 3.14Å; V301-I304 PolarHBondContact O-N 3.21Å; D302-I304 PolarHBondContact O-N 3.2Å; I304-R314 PolarHBondContact O-NH1 2.97Å; I304-F331 HydrophobicContact CG1-CZ 4.41Å; I304-F331 HydrophobicContact CG2-CE1 4.1Å; I304-F331 HydrophobicContact CG2-CZ 3.83Å; I304-F332 HydrophobicContact CD1-CD1 4Å; I304-F332 HydrophobicContact CD1-CE1 3.85Å; I304-L335 HydrophobicContact CG1-CD1 3.71Å
305	L	98.5	Very high	98.2	Very high	18 Å²	18	45.3 Å²	45.3	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-79.4	-37.4	-175.8	-69.2	174.8	0	0	0	112.4	L218 E222 F225 V301 D302 Y303 R314	L218-L305 HydrophobicContact CD2-CD2 4.13Å; E222-L305 HydrophobicContact CB-CD2 4.42Å; F225-L305 HydrophobicContact CB-CD1 3.75Å; F225-L305 HydrophobicContact CD1-CD1 4.24Å; F225-L305 HydrophobicContact CD2-CD1 4.5Å; F225-L305 HydrophobicContact CG-CD1 3.91Å; V301-L305 HydrophobicContact CG1-CD1 3.96Å; V301-L305 HydrophobicContact CG1-CG 4.38Å; V301-L305 WeakPolarHBondContact O-CB 3.23Å; V301-L305 VanDerWaalsContact O-CG 3.29Å; V301-L305 WeakPolarHBondContact O-CG 3.46Å; V301-L305 PolarHBondContact O-N 3.17Å; D302-L305 PolarHBondContact O-N 3.12Å; D302-L305 VanDerWaalsContact O-N 3.15Å; Y303-L305 VanDerWaalsContact C-N 3.28Å; Y303-L305 PolarHBondContact O-N 2.75Å; L305-R314 PolarHBondContact O-NH1 3.4Å
306	H	98.5	Very high	98.2	Very high	96 Å²	96	45.7 Å²	45.7	44%	0.444	21%	0.205	S	C	.	.	H	α-helix	trans	-124.6	-22.2	-163.6	-53	116.5	0	0	0	115.8	F225 D302 Y303 K308	F225-H306 AromaticContact CD1-CE1 3.9Å; F225-H306 AromaticContact CE1-CE1 3.59Å; D302-H306 PolarHBondContact O-N 2.76Å; D302-H306 PolarHBondContact O-ND1 3.06Å; D302-H306 IonicContact OD1-CE1 2.76Å; D302-H306 PolarHBondContact OD1-CE1 3.46Å; D302-H306 IonicContact OD1-CG 3.49Å; D302-H306 IonicContact OD1-ND1 3.71Å; D302-H306 PolarHBondContact OD1-ND1 3.3Å; Y303-H306 PolarHBondContact O-N 3.01Å; H306-K308 PolarHBondContact O-N 3.04Å
307	D	98.4	Very high	98.1	Very high	39 Å²	39	46 Å²	46	21%	0.209	21%	0.207	C	C	.	.			trans	-70.3	132.7	-179	-170.6	-72.6	0	0	0	110.8	Y303 R309 A310 L311	Y303-D307 HydrophobicContact CD1-CB 4.21Å; Y303-D307 HydrophobicContact CD2-CB 3.56Å; Y303-D307 HydrophobicContact CE1-CB 4.2Å; Y303-D307 HydrophobicContact CE2-CB 3.59Å; Y303-D307 WeakPolarHBondContact CE2-OD2 3.33Å; Y303-D307 HydrophobicContact CG-CB 3.87Å; Y303-D307 WeakPolarHBondContact O-CB 3.49Å; Y303-D307 PolarHBondContact O-N 3.43Å; D307-R309 PolarHBondContact O-N 3.44Å; D307-R309 VanDerWaalsContact O-N 3.15Å; D307-R309 VanDerWaalsContact OD1-CB 3.25Å; D307-R309 WeakPolarHBondContact OD1-CB 3.45Å; D307-R309 IonicContact OD1-CZ 3.74Å; D307-R309 PolarHBondContact OD1-N 3.2Å; D307-R309 IonicContact OD1-NE 3.32Å; D307-R309 PolarHBondContact OD1-NE 3.02Å; D307-R309 IonicContact OD1-NH2 3.24Å; D307-R309 IonicContact OD2-CZ 3.73Å; D307-R309 IonicContact OD2-NE 2.91Å; D307-R309 IonicContact OD2-NH2 3.95Å; D307-R309 PolarHBondContact OD2-NH2 3.42Å; D307-A310 HydrophobicContact CB-CB 4.34Å; D307-A310 PolarHBondContact O-N 3.06Å; D307-A310 VanDerWaalsContact O-N 3.09Å; D307-L311 WeakPolarHBondContact O-CG 3.43Å; D307-L311 PolarHBondContact O-N 2.93Å
308	K	98.1	Very high	98.1	Very high	176 Å²	176	49.1 Å²	49.1	77%	0.765	22%	0.221	S	C	*	.	H	α-helix	trans	-55.8	-35.4	-177.6	-65.3	-178.4	-179	178.2	0	112.7	H306 L311 E312	H306-K308 PolarHBondContact O-N 3.04Å; K308-L311 PolarHBondContact O-N 3.43Å; K308-E312 WeakPolarHBondContact O-CB 3.49Å; K308-E312 PolarHBondContact O-N 2.98Å
309	R	97.8	Very high	98	Very high	66 Å²	66	49.9 Å²	49.9	25%	0.249	23%	0.227	C	C	.	.	H	α-helix	trans	-71.8	-41.7	180	-61.7	165.7	-70.9	-171.9	-1.2	111.2	F283 Y303 D307 L311 E312 I313 L341	F283-R309 HydrophobicContact CD1-CB 4.37Å; F283-R309 HydrophobicContact CD1-CG 3.94Å; F283-R309 HydrophobicContact CE1-CB 3.57Å; F283-R309 HydrophobicContact CE1-CG 3.62Å; F283-R309 HydrophobicContact CE2-CB 4.38Å; F283-R309 HydrophobicContact CZ-CB 3.57Å; F283-R309 HydrophobicContact CZ-CG 4.06Å; Y303-R309 PolarHBondContact OH-NE 3.47Å; D307-R309 PolarHBondContact O-N 3.44Å; D307-R309 VanDerWaalsContact O-N 3.15Å; D307-R309 VanDerWaalsContact OD1-CB 3.25Å; D307-R309 WeakPolarHBondContact OD1-CB 3.45Å; D307-R309 IonicContact OD1-CZ 3.74Å; D307-R309 PolarHBondContact OD1-N 3.2Å; D307-R309 IonicContact OD1-NE 3.32Å; D307-R309 PolarHBondContact OD1-NE 3.02Å; D307-R309 IonicContact OD1-NH2 3.24Å; D307-R309 IonicContact OD2-CZ 3.73Å; D307-R309 IonicContact OD2-NE 2.91Å; D307-R309 IonicContact OD2-NH2 3.95Å; D307-R309 PolarHBondContact OD2-NH2 3.42Å; R309-L311 VanDerWaalsContact C-N 3.33Å; R309-E312 PolarHBondContact O-N 2.95Å; R309-I313 PolarHBondContact O-N 3.02Å; R309-L341 HydrophobicContact CB-CD2 4.44Å; R309-L341 VanDerWaalsContact NH1-C 3.3Å; R309-L341 PolarHBondContact NH1-O 3.28Å; R309-L341 PolarHBondContact NH2-O 3.07Å; R309-L341 VanDerWaalsContact NH2-O 3.07Å
310	A	98.2	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-42.7	173.4	0	0	0	0	0	111.2	Y303 D307 E312 I313 R314 L335	Y303-A310 HydrophobicContact CD1-CB 3.99Å; Y303-A310 HydrophobicContact CE1-CB 3.77Å; Y303-A310 VanDerWaalsContact O-CB 3.28Å; Y303-A310 WeakPolarHBondContact O-CB 3.45Å; D307-A310 HydrophobicContact CB-CB 4.34Å; D307-A310 PolarHBondContact O-N 3.06Å; D307-A310 VanDerWaalsContact O-N 3.09Å; A310-E312 VanDerWaalsContact C-N 3.34Å; A310-E312 PolarHBondContact O-N 3.48Å; A310-I313 PolarHBondContact O-N 3.16Å; A310-R314 WeakPolarHBondContact O-CB 3.35Å; A310-R314 WeakPolarHBondContact O-CG 3.29Å; A310-R314 PolarHBondContact O-N 2.98Å; A310-L335 HydrophobicContact CB-CD1 4.45Å; A310-L335 HydrophobicContact CB-CD2 4.24Å
311	L	98.3	Very high	97.6	Very high	72 Å²	72	49.6 Å²	49.6	38%	0.377	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-40.2	176	-68.3	175.4	0	0	0	112.7	D307 K308 R309 R314 K315	D307-L311 WeakPolarHBondContact O-CG 3.43Å; D307-L311 PolarHBondContact O-N 2.93Å; K308-L311 PolarHBondContact O-N 3.43Å; R309-L311 VanDerWaalsContact C-N 3.33Å; L311-R314 WeakPolarHBondContact O-CB 3.36Å; L311-R314 PolarHBondContact O-N 2.89Å; L311-K315 WeakPolarHBondContact O-CB 3.48Å; L311-K315 PolarHBondContact O-N 3.08Å
312	E	98.1	Very high	97.3	Very high	57 Å²	57	56 Å²	56	27%	0.266	26%	0.256	S	S	.	.	H	α-helix	trans	-66.7	-43.8	176.8	-168.1	171.3	-172	0	0	112.2	P281 S282 F283 K308 R309 A310 R314 K315 I316	P281-E312 WeakPolarHBondContact CA-OE1 3.18Å; P281-E312 HydrophobicContact CB-CG 3.86Å; S282-E312 WeakPolarHBondContact CB-OE1 3.44Å; S282-E312 WeakPolarHBondContact CB-OE2 3.19Å; S282-E312 VanDerWaalsContact N-CD 3.28Å; S282-E312 PolarHBondContact N-OE1 2.87Å; S282-E312 PolarHBondContact N-OE2 3.43Å; S282-E312 PolarHBondContact OG-OE1 3.04Å; S282-E312 PolarHBondContact OG-OE2 3.34Å; F283-E312 HydrophobicContact CE1-CB 4.32Å; F283-E312 WeakPolarHBondContact CE1-OE2 3.44Å; K308-E312 WeakPolarHBondContact O-CB 3.49Å; K308-E312 PolarHBondContact O-N 2.98Å; R309-E312 PolarHBondContact O-N 2.95Å; A310-E312 VanDerWaalsContact C-N 3.34Å; A310-E312 PolarHBondContact O-N 3.48Å; E312-R314 PolarHBondContact O-N 3.44Å; E312-K315 WeakPolarHBondContact O-CB 3.47Å; E312-K315 PolarHBondContact O-N 2.74Å; E312-I316 HydrophobicContact CG-CD1 4.41Å; E312-I316 WeakPolarHBondContact O-CG1 3.45Å; E312-I316 PolarHBondContact O-N 3.22Å
313	I	97.8	Very high	97.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-45.9	173.5	-74.8	166.2	0	0	0	110.8	F283 V285 W287 R309 A310 K315 I316 L317 F331 T334 L335 L341	F283-I313 HydrophobicContact CE2-CD1 3.99Å; F283-I313 HydrophobicContact CE2-CG1 4.34Å; F283-I313 HydrophobicContact CZ-CD1 3.96Å; F283-I313 HydrophobicContact CZ-CG1 4.01Å; V285-I313 HydrophobicContact CG2-CD1 4.25Å; W287-I313 HydrophobicContact CH2-CG1 4.45Å; W287-I313 HydrophobicContact CH2-CG2 4.12Å; W287-I313 HydrophobicContact CZ3-CG2 4.05Å; R309-I313 PolarHBondContact O-N 3.02Å; A310-I313 PolarHBondContact O-N 3.16Å; I313-K315 VanDerWaalsContact C-N 3.33Å; I313-K315 PolarHBondContact O-N 2.87Å; I313-I316 PolarHBondContact O-N 3Å; I313-L317 HydrophobicContact CG2-CD1 3.96Å; I313-L317 HydrophobicContact CG2-CG 4.42Å; I313-L317 WeakPolarHBondContact O-CG 3.42Å; I313-L317 PolarHBondContact O-N 3.07Å; I313-F331 HydrophobicContact CG2-CD2 4.35Å; I313-T334 HydrophobicContact CD1-CG2 4.32Å; I313-L335 HydrophobicContact CB-CD2 4.42Å; I313-L335 HydrophobicContact CD1-CD2 3.46Å; I313-L335 VanDerWaalsContact CD1-CD2 3.46Å; I313-L335 HydrophobicContact CG2-CD2 4.41Å; I313-L341 HydrophobicContact CD1-CD1 4.07Å
314	R	97.7	Very high	96.6	Very high	49 Å²	49	58.3 Å²	58.3	19%	0.185	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-46	176	-75.7	168.2	57.7	-169.9	-6	111.8	Y211 I304 L305 A310 L311 E312 L317 K318 F331	Y211-R314 VanDerWaalsContact OH-CB 3.24Å; Y211-R314 WeakPolarHBondContact OH-CB 3.42Å; Y211-R314 WeakPolarHBondContact OH-CG 3.37Å; I304-R314 PolarHBondContact O-NH1 2.97Å; L305-R314 PolarHBondContact O-NH1 3.4Å; A310-R314 WeakPolarHBondContact O-CB 3.35Å; A310-R314 WeakPolarHBondContact O-CG 3.29Å; A310-R314 PolarHBondContact O-N 2.98Å; L311-R314 WeakPolarHBondContact O-CB 3.36Å; L311-R314 PolarHBondContact O-N 2.89Å; E312-R314 PolarHBondContact O-N 3.44Å; R314-L317 PolarHBondContact O-N 3.4Å; R314-K318 WeakPolarHBondContact O-CB 3.48Å; R314-K318 PolarHBondContact O-N 2.94Å; R314-F331 HydrophobicContact CG-CD2 4.46Å; R314-F331 HydrophobicContact CG-CE2 3.46Å; R314-F331 VanDerWaalsContact CG-CE2 3.46Å; R314-F331 HydrophobicContact CG-CZ 3.75Å
315	K	98	Very high	96.4	Very high	126 Å²	126	59.5 Å²	59.5	55%	0.548	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-46.9	178.2	179.5	-179.8	172.1	-176.8	0	111.3	L311 E312 I313 K318 E319	L311-K315 WeakPolarHBondContact O-CB 3.48Å; L311-K315 PolarHBondContact O-N 3.08Å; E312-K315 WeakPolarHBondContact O-CB 3.47Å; E312-K315 PolarHBondContact O-N 2.74Å; I313-K315 VanDerWaalsContact C-N 3.33Å; I313-K315 PolarHBondContact O-N 2.87Å; K315-K318 PolarHBondContact O-N 3.46Å; K315-E319 WeakPolarHBondContact CE-OE1 3.41Å; K315-E319 HydrophobicContact CG-CG 4.38Å; K315-E319 WeakPolarHBondContact CG-OE1 3.21Å; K315-E319 IonicContact NZ-OE1 3.91Å; K315-E319 WeakPolarHBondContact O-CB 3.49Å; K315-E319 WeakPolarHBondContact O-CG 3.02Å; K315-E319 PolarHBondContact O-N 3.21Å
316	I	97.6	Very high	96.2	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-50.2	177.7	-71.8	166.1	0	0	0	111.1	P277 K279 P281 W287 E312 I313 K318 E319 E320	P277-I316 HydrophobicContact CB-CG2 3.49Å; P277-I316 VanDerWaalsContact CB-CG2 3.49Å; P277-I316 HydrophobicContact CG-CG2 4.09Å; K279-I316 HydrophobicContact CB-CG1 4.3Å; K279-I316 HydrophobicContact CB-CG2 4.05Å; P281-I316 HydrophobicContact CB-CD1 3.71Å; P281-I316 HydrophobicContact CG-CD1 4.19Å; P281-I316 VanDerWaalsContact N-CD1 3.3Å; W287-I316 HydrophobicContact CH2-CG2 4.09Å; W287-I316 HydrophobicContact CZ2-CG2 4.11Å; E312-I316 HydrophobicContact CG-CD1 4.41Å; E312-I316 WeakPolarHBondContact O-CG1 3.45Å; E312-I316 PolarHBondContact O-N 3.22Å; I313-I316 PolarHBondContact O-N 3Å; I316-K318 PolarHBondContact O-N 2.93Å; I316-E319 PolarHBondContact O-N 2.95Å; I316-E320 PolarHBondContact O-N 3.21Å
317	L	97.1	Very high	96.1	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-34.8	179.3	-66.7	174.4	0	0	0	112.2	Y211 P277 W287 I313 R314 E321 P327 F331	Y211-L317 HydrophobicContact CD2-CB 3.59Å; Y211-L317 HydrophobicContact CE2-CB 3.81Å; Y211-L317 HydrophobicContact CE2-CD1 4.48Å; P277-L317 HydrophobicContact CG-CD2 3.73Å; W287-L317 HydrophobicContact CH2-CD2 4.25Å; W287-L317 HydrophobicContact CH2-CG 4.44Å; W287-L317 HydrophobicContact CZ3-CD2 3.83Å; W287-L317 HydrophobicContact CZ3-CG 4.24Å; I313-L317 HydrophobicContact CG2-CD1 3.96Å; I313-L317 HydrophobicContact CG2-CG 4.42Å; I313-L317 WeakPolarHBondContact O-CG 3.42Å; I313-L317 PolarHBondContact O-N 3.07Å; R314-L317 PolarHBondContact O-N 3.4Å; L317-E321 PolarHBondContact O-N 2.82Å; L317-P327 HydrophobicContact CB-CB 3.91Å; L317-P327 HydrophobicContact CD1-CB 4.3Å; L317-P327 HydrophobicContact CD2-CB 3.77Å; L317-P327 HydrophobicContact CG-CB 4.2Å; L317-F331 HydrophobicContact CD1-CB 4.11Å; L317-F331 HydrophobicContact CD1-CD2 3.81Å; L317-F331 HydrophobicContact CD1-CG 4.37Å
318	K	97.2	Very high	96	Very high	96 Å²	96	53.7 Å²	53.7	42%	0.417	26%	0.255	S	S	.	.	H	α-helix	trans	-70.4	-47.4	175.7	-175.1	166.4	179.5	157.1	0	112.6	Y211 E215 R314 K315 I316 E320 E321	Y211-K318 HydrophobicContact CD1-CB 3.47Å; Y211-K318 VanDerWaalsContact CD1-CB 3.47Å; Y211-K318 HydrophobicContact CD1-CD 3.94Å; Y211-K318 HydrophobicContact CD1-CG 3.67Å; Y211-K318 HydrophobicContact CD2-CB 4.46Å; Y211-K318 HydrophobicContact CE1-CB 3.73Å; Y211-K318 HydrophobicContact CE1-CD 3.95Å; Y211-K318 HydrophobicContact CE1-CG 4.09Å; Y211-K318 HydrophobicContact CG-CB 3.89Å; Y211-K318 HydrophobicContact CG-CG 4.39Å; E215-K318 WeakPolarHBondContact OE1-CE 3.25Å; E215-K318 IonicContact OE1-NZ 2.63Å; E215-K318 PolarHBondContact OE1-NZ 3.34Å; R314-K318 WeakPolarHBondContact O-CB 3.48Å; R314-K318 PolarHBondContact O-N 2.94Å; K315-K318 PolarHBondContact O-N 3.46Å; I316-K318 PolarHBondContact O-N 2.93Å; K318-E320 PolarHBondContact O-N 2.9Å; K318-E321 WeakPolarHBondContact O-CB 3.28Å; K318-E321 WeakPolarHBondContact O-CG 3.48Å; K318-E321 PolarHBondContact O-N 2.76Å; K318-E321 VanDerWaalsContact O-N 3.11Å
319	E	96.8	Very high	95.9	Very high	78 Å²	78	47.2 Å²	47.2	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-29.4	-178.5	-74.5	177	177.1	0	0	112.6	K279 K315 I316 H322	K279-E319 WeakPolarHBondContact CD-OE2 3.37Å; K279-E319 IonicContact NZ-OE2 2.65Å; K279-E319 PolarHBondContact NZ-OE2 3.17Å; K315-E319 WeakPolarHBondContact CE-OE1 3.41Å; K315-E319 HydrophobicContact CG-CG 4.38Å; K315-E319 WeakPolarHBondContact CG-OE1 3.21Å; K315-E319 IonicContact NZ-OE1 3.91Å; K315-E319 WeakPolarHBondContact O-CB 3.49Å; K315-E319 WeakPolarHBondContact O-CG 3.02Å; K315-E319 PolarHBondContact O-N 3.21Å; I316-E319 PolarHBondContact O-N 2.95Å; E319-H322 PolarHBondContact O-CE1 3.43Å; E319-H322 PolarHBondContact O-ND1 2.98Å; E319-H322 VanDerWaalsContact O-ND1 3.16Å
320	E	95.1	Very high	95.8	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.056	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.7	177.8	-68.1	-167.7	-162.1	0	0	113.9	P277 S278 K279 I316 K318 H322 L323 K325	P277-E320 VanDerWaalsContact CA-OE2 3.26Å; P277-E320 WeakPolarHBondContact CA-OE2 2.98Å; S278-E320 PolarHBondContact N-OE1 2.99Å; S278-E320 PolarHBondContact N-OE2 3.3Å; K279-E320 WeakPolarHBondContact CB-OE1 3.47Å; K279-E320 WeakPolarHBondContact CG-OE1 3.2Å; K279-E320 PolarHBondContact N-OE1 3.04Å; I316-E320 PolarHBondContact O-N 3.21Å; K318-E320 PolarHBondContact O-N 2.9Å; E320-H322 PolarHBondContact O-N 2.77Å; E320-H322 VanDerWaalsContact O-N 3.1Å; E320-L323 HydrophobicContact CB-CD1 4.03Å; E320-L323 HydrophobicContact CG-CD1 4.09Å; E320-L323 WeakPolarHBondContact O-CB 3.3Å; E320-L323 PolarHBondContact O-N 3.29Å; E320-K325 IonicContact OE2-NZ 2.73Å; E320-K325 PolarHBondContact OE2-NZ 3.09Å
321	E	93.1	Very high	95.7	Very high	62 Å²	62	44.1 Å²	44.1	29%	0.29	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-58.5	-32.3	-174.7	74.6	174	162.5	0	0	113.6	H210 L317 K318 L323 G324	H210-E321 HydrophobicContact CB-CB 4.44Å; H210-E321 PolarHBondContact ND1-O 3.15Å; L317-E321 PolarHBondContact O-N 2.82Å; K318-E321 WeakPolarHBondContact O-CB 3.28Å; K318-E321 WeakPolarHBondContact O-CG 3.48Å; K318-E321 PolarHBondContact O-N 2.76Å; K318-E321 VanDerWaalsContact O-N 3.11Å; E321-L323 PolarHBondContact O-N 2.96Å; E321-G324 PolarHBondContact O-N 2.75Å; E321-G324 VanDerWaalsContact O-N 3.16Å
322	H	91.3	Very high	95.7	Very high	136 Å²	136	40.8 Å²	40.8	63%	0.63	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-67.1	-14.6	-179.7	63.5	-82.8	0	0	0	113	E319 E320 G324	E319-H322 PolarHBondContact O-CE1 3.43Å; E319-H322 PolarHBondContact O-ND1 2.98Å; E319-H322 VanDerWaalsContact O-ND1 3.16Å; E320-H322 PolarHBondContact O-N 2.77Å; E320-H322 VanDerWaalsContact O-N 3.1Å; H322-G324 VanDerWaalsContact C-N 3.31Å
323	L	93.4	Very high	95.7	Very high	89 Å²	89	38 Å²	38	47%	0.466	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-83.8	-4.7	176.9	-57.3	-179.8	0	0	0	112.8	E320 E321 K325	E320-L323 HydrophobicContact CB-CD1 4.03Å; E320-L323 HydrophobicContact CG-CD1 4.09Å; E320-L323 WeakPolarHBondContact O-CB 3.3Å; E320-L323 PolarHBondContact O-N 3.29Å; E321-L323 PolarHBondContact O-N 2.96Å; L323-K325 VanDerWaalsContact C-N 3.29Å; L323-K325 HydrophobicContact CB-CD 4.21Å; L323-K325 HydrophobicContact CB-CG 3.91Å; L323-K325 HydrophobicContact CD1-CD 4.36Å; L323-K325 PolarHBondContact O-N 3.41Å
324	G	90	Very high	95.6	Very high	37 Å²	37	38 Å²	38	38%	0.381	19%	0.185	S	C	.	.			trans	64.9	30.8	175.2	0	0	0	0	0	114.1	E321 H322 I326	E321-G324 PolarHBondContact O-N 2.75Å; E321-G324 VanDerWaalsContact O-N 3.16Å; H322-G324 VanDerWaalsContact C-N 3.31Å; G324-I326 PolarHBondContact O-N 2.93Å
325	K	92.9	Very high	95.6	Very high	25 Å²	25	35.7 Å²	35.7	11%	0.109	18%	0.177	C	C	.	.			trans	-75.7	0.1	-173.4	-71	-173.6	173.1	-176.1	0	115.2	E274 R275 I276 S278 E320 L323	E274-K325 WeakPolarHBondContact O-CE 3.39Å; E274-K325 WeakPolarHBondContact O-CG 3.29Å; R275-K325 VanDerWaalsContact CB-O 3.29Å; R275-K325 WeakPolarHBondContact CB-O 3.35Å; R275-K325 WeakPolarHBondContact CG-O 3.45Å; R275-K325 WeakPolarHBondContact O-CB 3.32Å; I276-K325 PolarHBondContact O-NZ 2.88Å; S278-K325 PolarHBondContact OG-NZ 3.12Å; S278-K325 VanDerWaalsContact OG-NZ 3.13Å; E320-K325 IonicContact OE2-NZ 2.73Å; E320-K325 PolarHBondContact OE2-NZ 3.09Å; L323-K325 VanDerWaalsContact C-N 3.29Å; L323-K325 HydrophobicContact CB-CD 4.21Å; L323-K325 HydrophobicContact CB-CG 3.91Å; L323-K325 HydrophobicContact CD1-CD 4.36Å; L323-K325 PolarHBondContact O-N 3.41Å
326	I	94.5	Very high	95.5	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.072	15%	0.152	C	C	.	.			trans	58.2	61.2	-179.6	-50.1	168.2	0	0	0	110.8	W208 G209 R275 G324 D328 E329	W208-I326 HydrophobicContact CH2-CD1 4.29Å; W208-I326 HydrophobicContact CZ2-CD1 4.48Å; G209-I326 WeakPolarHBondContact O-CA 3.26Å; G209-I326 PolarHBondContact O-N 2.87Å; G209-I326 VanDerWaalsContact O-N 3.13Å; R275-I326 VanDerWaalsContact CZ-CD1 3.47Å; G324-I326 PolarHBondContact O-N 2.93Å; I326-D328 VanDerWaalsContact CG2-OD1 3.3Å; I326-D328 WeakPolarHBondContact CG2-OD1 3.4Å; I326-D328 PolarHBondContact O-N 3.07Å; I326-E329 HydrophobicContact CG2-CB 4.02Å; I326-E329 HydrophobicContact CG2-CG 3.82Å; I326-E329 PolarHBondContact O-N 3.15Å
327	P	96	Very high	95.4	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.026	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.5	-171.9	27.4	-35.7	0	0	0	113.9	G209 Y211 L317 E329 L330 F331	G209-P327 VanDerWaalsContact O-CD 3.26Å; G209-P327 WeakPolarHBondContact O-CD 3.44Å; Y211-P327 VanDerWaalsContact CA-CG 3.45Å; Y211-P327 HydrophobicContact CD2-CB 4.33Å; Y211-P327 HydrophobicContact CD2-CG 4.34Å; L317-P327 HydrophobicContact CB-CB 3.91Å; L317-P327 HydrophobicContact CD1-CB 4.3Å; L317-P327 HydrophobicContact CD2-CB 3.77Å; L317-P327 HydrophobicContact CG-CB 4.2Å; P327-E329 VanDerWaalsContact C-N 3.28Å; P327-E329 PolarHBondContact O-N 2.97Å; P327-L330 PolarHBondContact O-N 3.42Å; P327-F331 WeakPolarHBondContact O-CB 3.4Å; P327-F331 PolarHBondContact O-N 3.47Å
328	D	96.2	Very high	95.4	Very high	14 Å²	14	30.2 Å²	30.2	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-31.6	177.1	59	-56.1	0	0	0	112.8	V213 V214 F292 I326 L330	V213-D328 HydrophobicContact CB-CB 4.06Å; V213-D328 HydrophobicContact CG1-CB 3.85Å; V214-D328 HydrophobicContact CG2-CB 3.9Å; F292-D328 HydrophobicContact CB-CB 4.08Å; F292-D328 HydrophobicContact CD2-CB 3.66Å; F292-D328 HydrophobicContact CE2-CB 4.3Å; F292-D328 HydrophobicContact CG-CB 4Å; I326-D328 VanDerWaalsContact CG2-OD1 3.3Å; I326-D328 WeakPolarHBondContact CG2-OD1 3.4Å; I326-D328 PolarHBondContact O-N 3.07Å; D328-L330 PolarHBondContact O-N 2.81Å
329	E	96.1	Very high	95.3	Very high	39 Å²	39	27.7 Å²	27.7	18%	0.182	15%	0.146	C	C	.	.	H	α-helix	trans	-82	3.2	173.2	-69.6	-170.9	-177.1	0	0	113.5	R275 K289 G290 I326 P327	R275-E329 IonicContact CZ-OE2 3.93Å; R275-E329 IonicContact NH1-OE2 2.72Å; R275-E329 PolarHBondContact NH1-OE2 2.94Å; K289-E329 CarbonylContact C-O 3.56Å; K289-E329 VanDerWaalsContact CA-O 3.3Å; K289-E329 WeakPolarHBondContact CA-O 3.4Å; K289-E329 WeakPolarHBondContact CE-OE2 3.34Å; G290-E329 PolarHBondContact N-O 3.27Å; G290-E329 WeakPolarHBondContact O-CA 3.2Å; G290-E329 WeakPolarHBondContact O-CB 3.2Å; I326-E329 HydrophobicContact CG2-CB 4.02Å; I326-E329 HydrophobicContact CG2-CG 3.82Å; I326-E329 PolarHBondContact O-N 3.15Å; P327-E329 VanDerWaalsContact C-N 3.28Å; P327-E329 PolarHBondContact O-N 2.97Å
330	L	96.1	Very high	95.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-116.4	-23.6	173.7	-66.3	175.7	0	0	0	112.6	R275 K289 P327 D328 S333 T334	R275-L330 HydrophobicContact CB-CD1 4.31Å; R275-L330 WeakPolarHBondContact O-CD1 3.38Å; K289-L330 HydrophobicContact CB-CD2 4.18Å; P327-L330 PolarHBondContact O-N 3.42Å; D328-L330 PolarHBondContact O-N 2.81Å; L330-S333 PolarHBondContact O-OG 3.29Å; L330-T334 WeakPolarHBondContact O-CB 3.38Å; L330-T334 PolarHBondContact O-N 3.14Å; L330-T334 PolarHBondContact O-OG1 3.24Å
331	F	97.1	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-66.8	-165.3	-179	-126.7	0	0	0	113.6	V214 I304 I313 R314 L317 P327 S333 T334 L335	V214-F331 HydrophobicContact CG1-CD1 3.51Å; V214-F331 HydrophobicContact CG1-CE1 3.62Å; V214-F331 HydrophobicContact CG1-CG 3.99Å; V214-F331 HydrophobicContact CG1-CZ 4.2Å; V214-F331 HydrophobicContact CG2-CB 4.15Å; V214-F331 HydrophobicContact CG2-CD1 4.29Å; V214-F331 HydrophobicContact CG2-CG 4.33Å; I304-F331 HydrophobicContact CG1-CZ 4.41Å; I304-F331 HydrophobicContact CG2-CE1 4.1Å; I304-F331 HydrophobicContact CG2-CZ 3.83Å; I313-F331 HydrophobicContact CG2-CD2 4.35Å; R314-F331 HydrophobicContact CG-CD2 4.46Å; R314-F331 HydrophobicContact CG-CE2 3.46Å; R314-F331 VanDerWaalsContact CG-CE2 3.46Å; R314-F331 HydrophobicContact CG-CZ 3.75Å; L317-F331 HydrophobicContact CD1-CB 4.11Å; L317-F331 HydrophobicContact CD1-CD2 3.81Å; L317-F331 HydrophobicContact CD1-CG 4.37Å; P327-F331 WeakPolarHBondContact O-CB 3.4Å; P327-F331 PolarHBondContact O-N 3.47Å; F331-S333 PolarHBondContact O-N 3.4Å; F331-T334 PolarHBondContact O-N 2.94Å; F331-L335 HydrophobicContact CD2-CD1 4.23Å; F331-L335 HydrophobicContact CE2-CD1 3.66Å; F331-L335 HydrophobicContact CE2-CG 4.45Å; F331-L335 HydrophobicContact CZ-CD1 3.88Å; F331-L335 WeakPolarHBondContact O-CG 3.43Å; F331-L335 PolarHBondContact O-N 3.04Å
332	F	97.8	Very high	95.3	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-44	-175.9	-64.5	-55.3	0	0	0	112.2	F217 I264 F292 A294 L296 I304 T334 L335 A336	F217-F332 HydrophobicContact CD1-CE1 4.22Å; F217-F332 AromaticContact CD1-CZ 3.71Å; F217-F332 HydrophobicContact CD1-CZ 3.71Å; F217-F332 HydrophobicContact CD2-CZ 4.18Å; F217-F332 AromaticContact CE1-CE1 3.57Å; F217-F332 HydrophobicContact CE1-CE1 3.57Å; F217-F332 AromaticContact CE1-CZ 3.43Å; F217-F332 HydrophobicContact CE1-CZ 3.43Å; F217-F332 VanDerWaalsContact CE1-CZ 3.43Å; F217-F332 AromaticContact CE2-CZ 3.89Å; F217-F332 HydrophobicContact CE2-CZ 3.89Å; F217-F332 HydrophobicContact CG-CZ 4.08Å; F217-F332 AromaticContact CZ-CE1 3.74Å; F217-F332 HydrophobicContact CZ-CE1 3.74Å; F217-F332 AromaticContact CZ-CZ 3.52Å; F217-F332 HydrophobicContact CZ-CZ 3.52Å; I264-F332 HydrophobicContact CD1-CB 4.13Å; I264-F332 HydrophobicContact CG1-CB 4.21Å; I264-F332 HydrophobicContact CG2-CB 3.86Å; F292-F332 HydrophobicContact CD2-CD2 4.28Å; F292-F332 AromaticContact CD2-CE2 3.64Å; F292-F332 HydrophobicContact CD2-CE2 3.64Å; F292-F332 AromaticContact CE2-CE2 3.82Å; F292-F332 HydrophobicContact CE2-CE2 3.82Å; F292-F332 HydrophobicContact CE2-CZ 4.32Å; F292-F332 HydrophobicContact CG-CE2 4.49Å; F292-F332 WeakPolarHBondContact O-CD2 3.31Å; F292-F332 WeakPolarHBondContact O-CE2 3.25Å; A294-F332 HydrophobicContact CB-CD2 4.27Å; L296-F332 HydrophobicContact CD1-CD1 4Å; L296-F332 HydrophobicContact CD1-CE1 3.6Å; L296-F332 HydrophobicContact CD1-CZ 4.19Å; L296-F332 HydrophobicContact CD2-CD1 4.35Å; I304-F332 HydrophobicContact CD1-CD1 4Å; I304-F332 HydrophobicContact CD1-CE1 3.85Å; F332-T334 PolarHBondContact O-N 3.17Å; F332-L335 PolarHBondContact O-N 2.91Å; F332-A336 VanDerWaalsContact O-CB 3.3Å; F332-A336 WeakPolarHBondContact O-CB 3.35Å; F332-A336 PolarHBondContact O-N 3.24Å
333	S	96.9	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.6	-38.3	-178.9	44.3	0	0	0	0	112.5	E265 T288 G290 L330 F331 A336 Y337	E265-S333 WeakPolarHBondContact O-CB 3.29Å; T288-S333 VanDerWaalsContact O-CB 3.29Å; T288-S333 WeakPolarHBondContact O-CB 3.35Å; T288-S333 PolarHBondContact O-OG 2.88Å; G290-S333 PolarHBondContact N-OG 2.81Å; L330-S333 PolarHBondContact O-OG 3.29Å; F331-S333 PolarHBondContact O-N 3.4Å; S333-A336 PolarHBondContact O-N 2.63Å; S333-Y337 WeakPolarHBondContact O-CB 3.49Å; S333-Y337 VanDerWaalsContact O-CD2 3.29Å; S333-Y337 WeakPolarHBondContact O-CD2 3.31Å; S333-Y337 PolarHBondContact O-N 3.28Å
334	T	96.7	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.1	-42.6	174.6	-62.1	0	0	0	0	111.1	V285 W287 T288 I313 L330 F331 F332 A336 N338	V285-T334 HydrophobicContact CG2-CG2 3.32Å; W287-T334 HydrophobicContact CD2-CG2 4.39Å; W287-T334 HydrophobicContact CE3-CG2 3.79Å; W287-T334 HydrophobicContact CZ3-CG2 4.12Å; T288-T334 PolarHBondContact N-OG1 3.14Å; T288-T334 PolarHBondContact O-OG1 2.9Å; I313-T334 HydrophobicContact CD1-CG2 4.32Å; L330-T334 WeakPolarHBondContact O-CB 3.38Å; L330-T334 PolarHBondContact O-N 3.14Å; L330-T334 PolarHBondContact O-OG1 3.24Å; F331-T334 PolarHBondContact O-N 2.94Å; F332-T334 PolarHBondContact O-N 3.17Å; T334-A336 VanDerWaalsContact C-N 3.35Å; T334-A336 PolarHBondContact O-N 3.15Å; T334-N338 PolarHBondContact O-ND2 2.87Å
335	L	97.5	Very high	96.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.4	-39	177.6	-62	176.5	0	0	0	112.4	M300 Y303 I304 A310 I313 F331 F332 L341	M300-L335 HydrophobicContact CE-CB 3.66Å; M300-L335 HydrophobicContact CE-CD1 4.24Å; Y303-L335 HydrophobicContact CE1-CD2 4.28Å; I304-L335 HydrophobicContact CG1-CD1 3.71Å; A310-L335 HydrophobicContact CB-CD1 4.45Å; A310-L335 HydrophobicContact CB-CD2 4.24Å; I313-L335 HydrophobicContact CB-CD2 4.42Å; I313-L335 HydrophobicContact CD1-CD2 3.46Å; I313-L335 VanDerWaalsContact CD1-CD2 3.46Å; I313-L335 HydrophobicContact CG2-CD2 4.41Å; F331-L335 HydrophobicContact CD2-CD1 4.23Å; F331-L335 HydrophobicContact CE2-CD1 3.66Å; F331-L335 HydrophobicContact CE2-CG 4.45Å; F331-L335 HydrophobicContact CZ-CD1 3.88Å; F331-L335 WeakPolarHBondContact O-CG 3.43Å; F331-L335 PolarHBondContact O-N 3.04Å; F332-L335 PolarHBondContact O-N 2.91Å; L335-L341 HydrophobicContact CD2-CD1 4.43Å
336	A	96.6	Very high	96.3	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.025	10%	0.098	C	C	.	.	H	α-helix	trans	-90.1	-10.2	-171.2	0	0	0	0	0	116	I264 F332 S333 T334 T346 C347	I264-A336 HydrophobicContact CB-CB 4.27Å; I264-A336 HydrophobicContact CD1-CB 3.32Å; I264-A336 HydrophobicContact CG1-CB 4.38Å; I264-A336 HydrophobicContact CG2-CB 4.22Å; F332-A336 VanDerWaalsContact O-CB 3.3Å; F332-A336 WeakPolarHBondContact O-CB 3.35Å; F332-A336 PolarHBondContact O-N 3.24Å; S333-A336 PolarHBondContact O-N 2.63Å; T334-A336 VanDerWaalsContact C-N 3.35Å; T334-A336 PolarHBondContact O-N 3.15Å; A336-T346 VanDerWaalsContact O-CG2 3.31Å; A336-T346 WeakPolarHBondContact O-CG2 3.5Å; A336-C347 PolarHBondContact O-N 2.98Å; A336-C347 VanDerWaalsContact O-N 3.14Å
337	Y	95.9	Very high	96.2	Very high	19 Å²	19	18.9 Å²	18.9	8%	0.075	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	27.5	178.4	-65.7	-72.6	0	0	0	112.9	I264 C266 R268 T288 S333 C347 C350	I264-Y337 HydrophobicContact CG2-CE2 4.21Å; I264-Y337 PolarHBondContact O-OH 2.86Å; C266-Y337 HydrophobicContact CB-CD1 4.44Å; C266-Y337 HydrophobicContact CB-CD2 3.98Å; C266-Y337 HydrophobicContact CB-CE1 3.96Å; C266-Y337 HydrophobicContact CB-CE2 3.47Å; C266-Y337 VanDerWaalsContact CB-CE2 3.47Å; C266-Y337 HydrophobicContact CB-CG 4.45Å; C266-Y337 VanDerWaalsContact CB-CZ 3.47Å; R268-Y337 VanDerWaalsContact NH2-CB 3.35Å; R268-Y337 PolarHBondContact NH2-O 3.19Å; T288-Y337 HydrophobicContact CG2-CD2 4.04Å; T288-Y337 HydrophobicContact CG2-CG 4.36Å; S333-Y337 WeakPolarHBondContact O-CB 3.49Å; S333-Y337 VanDerWaalsContact O-CD2 3.29Å; S333-Y337 WeakPolarHBondContact O-CD2 3.31Å; S333-Y337 PolarHBondContact O-N 3.28Å; Y337-C347 HydrophobicContact CD1-CB 3.88Å; Y337-C347 HydrophobicContact CE1-CB 3.42Å; Y337-C347 VanDerWaalsContact CE1-CB 3.42Å; Y337-C350 HydrophobicContact CD1-CB 3.81Å; Y337-C350 HydrophobicContact CE1-CB 4.23Å; Y337-C350 HydrophobicContact CG-CB 4.28Å
338	N	95.4	Very high	96.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.115	C	C	.	.			trans	-124.2	83.5	168.4	-80	-85.6	0	0	0	109	N286 T334 Q340 L341	N286-N338 WeakPolarHBondContact CB-OD1 3.37Å; N286-N338 PolarHBondContact N-OD1 3.41Å; N286-N338 PolarHBondContact O-ND2 3.11Å; T334-N338 PolarHBondContact O-ND2 2.87Å; N338-Q340 PolarHBondContact O-N 3.09Å; N338-Q340 PolarHBondContact OD1-NE2 3.16Å; N338-L341 HydrophobicContact CB-CD1 3.65Å; N338-L341 HydrophobicContact CB-CG 3.71Å; N338-L341 VanDerWaalsContact O-CB 3.26Å; N338-L341 WeakPolarHBondContact O-CB 3.32Å; N338-L341 WeakPolarHBondContact O-CG 3.26Å; N338-L341 PolarHBondContact O-N 3.41Å
339	P	94.9	Very high	96	Very high	43 Å²	43	25 Å²	25	28%	0.279	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-53	-30.1	-176	-30.1	38.1	0	0	0	115	L341 Q342 T346 L348 I453	P339-L341 PolarHBondContact O-N 2.96Å; P339-L341 VanDerWaalsContact O-N 3.17Å; P339-Q342 PolarHBondContact O-N 3.14Å; P339-T346 HydrophobicContact CB-CG2 4.34Å; P339-T346 HydrophobicContact CG-CG2 4.22Å; P339-L348 HydrophobicContact CB-CD2 4.16Å; P339-L348 HydrophobicContact CG-CD2 4.34Å; P339-I453 HydrophobicContact CB-CD1 4.03Å; P339-I453 WeakPolarHBondContact O-CD1 3.25Å
340	Q	94.4	Very high	95.9	Very high	94 Å²	94	24.4 Å²	24.4	44%	0.439	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-62.3	-20.2	175.4	74.5	-79.1	14.7	0	0	113.6	V284 N338 Q342	V284-Q340 PolarHBondContact O-NE2 3.37Å; N338-Q340 PolarHBondContact O-N 3.09Å; N338-Q340 PolarHBondContact OD1-NE2 3.16Å; Q340-Q342 VanDerWaalsContact C-N 3.27Å
341	L	96.4	Very high	95.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-77.8	-12.4	173.8	-56.8	-175.2	0	0	0	112.5	F283 Y303 R309 I313 L335 N338 P339 A343	F283-L341 HydrophobicContact CD2-CD2 3.5Å; F283-L341 VanDerWaalsContact CD2-CD2 3.5Å; F283-L341 HydrophobicContact CE2-CD1 4.4Å; F283-L341 HydrophobicContact CE2-CD2 3.39Å; F283-L341 HydrophobicContact CG-CD2 4.35Å; F283-L341 HydrophobicContact CZ-CD2 4.18Å; Y303-L341 PolarHBondContact OH-O 3.47Å; R309-L341 HydrophobicContact CB-CD2 4.44Å; R309-L341 VanDerWaalsContact NH1-C 3.3Å; R309-L341 PolarHBondContact NH1-O 3.28Å; R309-L341 PolarHBondContact NH2-O 3.07Å; R309-L341 VanDerWaalsContact NH2-O 3.07Å; I313-L341 HydrophobicContact CD1-CD1 4.07Å; L335-L341 HydrophobicContact CD2-CD1 4.43Å; N338-L341 HydrophobicContact CB-CD1 3.65Å; N338-L341 HydrophobicContact CB-CG 3.71Å; N338-L341 VanDerWaalsContact O-CB 3.26Å; N338-L341 WeakPolarHBondContact O-CB 3.32Å; N338-L341 WeakPolarHBondContact O-CG 3.26Å; N338-L341 PolarHBondContact O-N 3.41Å; P339-L341 PolarHBondContact O-N 2.96Å; P339-L341 VanDerWaalsContact O-N 3.17Å; L341-A343 PolarHBondContact O-N 3.24Å
342	Q	96	Very high	95.5	Very high	136 Å²	136	29.3 Å²	29.3	64%	0.636	15%	0.153	S	C	*	.			trans	49.3	30.6	178.7	-56.8	-178	13.9	0	0	113.4	P339 Q340	P339-Q342 PolarHBondContact O-N 3.14Å; Q340-Q342 VanDerWaalsContact C-N 3.27Å
343	A	97.6	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.			trans	-67.1	136.1	176.6	0	0	0	0	0	109.1	M300 Y303 L341 G345 T346	M300-A343 HydrophobicContact CE-CB 4.37Å; M300-A343 HydrophobicContact SD-CB 3.86Å; Y303-A343 HydrophobicContact CD1-CB 3.69Å; Y303-A343 HydrophobicContact CD2-CB 4.1Å; Y303-A343 HydrophobicContact CE1-CB 3.56Å; Y303-A343 HydrophobicContact CE2-CB 3.94Å; Y303-A343 HydrophobicContact CG-CB 3.98Å; L341-A343 PolarHBondContact O-N 3.24Å; A343-G345 PolarHBondContact O-N 3.03Å; A343-T346 WeakPolarHBondContact CB-OG1 3.21Å; A343-T346 WeakPolarHBondContact O-CB 3.29Å; A343-T346 PolarHBondContact O-N 3.14Å; A343-T346 VanDerWaalsContact O-N 3.12Å; A343-T346 PolarHBondContact O-OG1 2.83Å
344	P	97.8	Very high	94.9	Very high	33 Å²	33	35 Å²	35	21%	0.214	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.2	-173.2	-27.8	37	0	0	0	113.4	N262 E299 T346	N262-P344 PolarHBondContact ND2-O 3.48Å; E299-P344 HydrophobicContact CB-CB 3.73Å; E299-P344 HydrophobicContact CB-CG 3.84Å; P344-T346 VanDerWaalsContact C-N 3.32Å
345	G	96.8	Very high	94.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	23.1	-178.4	0	0	0	0	0	114	N262 A343 I453	N262-G345 PolarHBondContact N-O 3.38Å; N262-G345 VanDerWaalsContact ND2-C 3.32Å; N262-G345 PolarHBondContact ND2-O 3.09Å; A343-G345 PolarHBondContact O-N 3.03Å; G345-I453 WeakPolarHBondContact CA-O 3.02Å; G345-I453 PolarHBondContact N-O 3.4Å
346	T	95.3	Very high	94.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.			trans	-66	127.2	173.2	-77.8	0	0	0	0	110.5	A336 P339 A343 P344 H452 I453	A336-T346 VanDerWaalsContact O-CG2 3.31Å; A336-T346 WeakPolarHBondContact O-CG2 3.5Å; P339-T346 HydrophobicContact CB-CG2 4.34Å; P339-T346 HydrophobicContact CG-CG2 4.22Å; A343-T346 WeakPolarHBondContact CB-OG1 3.21Å; A343-T346 WeakPolarHBondContact O-CB 3.29Å; A343-T346 PolarHBondContact O-N 3.14Å; A343-T346 VanDerWaalsContact O-N 3.12Å; A343-T346 PolarHBondContact O-OG1 2.83Å; P344-T346 VanDerWaalsContact C-N 3.32Å; T346-H452 CarbonylContact O-C 3.53Å; T346-H452 WeakPolarHBondContact O-CA 3.48Å; T346-H452 VanDerWaalsContact O-CB 3.24Å; T346-H452 WeakPolarHBondContact O-CB 3.37Å; T346-I453 HydrophobicContact CG2-CD1 3.9Å; T346-I453 HydrophobicContact CG2-CG1 4.37Å; T346-I453 PolarHBondContact O-N 3.19Å
347	C	93.7	Very high	94	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.02	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-72.5	130	175.4	-161.5	0	0	0	0	109.6	A336 Y337 T349 C448 D451	A336-C347 PolarHBondContact O-N 2.98Å; A336-C347 VanDerWaalsContact O-N 3.14Å; Y337-C347 HydrophobicContact CD1-CB 3.88Å; Y337-C347 HydrophobicContact CE1-CB 3.42Å; Y337-C347 VanDerWaalsContact CE1-CB 3.42Å; C347-T349 VanDerWaalsContact C-N 3.32Å; C347-T349 PolarHBondContact O-N 2.99Å; C347-T349 PolarHBondContact SG-O 3.04Å; C347-C448 HydrophobicContact CB-CB 4.14Å; C347-C448 WeakPolarHBondContact CB-SG 3.35Å; C347-C448 VanDerWaalsContact SG-CB 3.58Å; C347-D451 WeakPolarHBondContact CA-O 3.44Å
348	L	93.9	Very high	93.9	Very high	82 Å²	82	58.4 Å²	58.4	43%	0.429	30%	0.302	S	S	.	.	S	Bend	trans	-68.3	-36	-178.6	-65.7	-179.2	0	0	0	111.6	P339 D451 I453	P339-L348 HydrophobicContact CB-CD2 4.16Å; P339-L348 HydrophobicContact CG-CD2 4.34Å; L348-D451 WeakPolarHBondContact CD1-OD1 3.41Å; L348-D451 PolarHBondContact N-O 3.13Å; L348-I453 HydrophobicContact CD2-CD1 4.18Å; L348-I453 HydrophobicContact CD2-CG1 3.59Å
349	T	93.2	Very high	93.9	Very high	64 Å²	64	64 Å²	64	39%	0.393	32%	0.322	S	S	.	.	S	Bend	trans	-118.6	132.4	-180	-49.5	0	0	0	0	111.6	C347 H351 D451	C347-T349 VanDerWaalsContact C-N 3.32Å; C347-T349 PolarHBondContact O-N 2.99Å; C347-T349 PolarHBondContact SG-O 3.04Å; T349-H351 WeakPolarHBondContact CB-NE2 3.43Å; T349-H351 WeakPolarHBondContact CG2-NE2 3.29Å; T349-H351 PolarHBondContact O-CD2 3.05Å; T349-H351 PolarHBondContact O-N 3.29Å; T349-D451 PolarHBondContact OG1-OD2 3.45Å; T349-D451 VanDerWaalsContact OG1-OD2 3.09Å
350	C	93.5	Very high	93.9	Very high	28 Å²	28	62.3 Å²	62.3	19%	0.189	31%	0.312	C	S	.	.			trans	-78.5	109.5	170.5	164.5	0	0	0	0	110.1	C266 Y337	C266-C350 HydrophobicContact CB-CB 4.06Å; C266-C350 WeakPolarHBondContact CB-SG 3.3Å; C266-C350 WeakPolarHBondContact SG-CB 3.05Å; C266-C350 CovalentContact SG-SG 2.01Å; C266-C350 PolarHBondContact SG-SG 3.38Å; Y337-C350 HydrophobicContact CD1-CB 3.81Å; Y337-C350 HydrophobicContact CE1-CB 4.23Å; Y337-C350 HydrophobicContact CG-CB 4.28Å
351	H	93.2	Very high	93.9	Very high	62 Å²	62	59.4 Å²	59.4	29%	0.287	30%	0.301	S	S	.	.			trans	-106.7	116.1	171.1	-66.2	-82	0	0	0	109.6	T349 A360 F447	T349-H351 WeakPolarHBondContact CB-NE2 3.43Å; T349-H351 WeakPolarHBondContact CG2-NE2 3.29Å; T349-H351 PolarHBondContact O-CD2 3.05Å; T349-H351 PolarHBondContact O-N 3.29Å; H351-A360 HydrophobicContact CB-CB 4.48Å; H351-F447 HydrophobicContact CB-CD2 3.61Å; H351-F447 HydrophobicContact CB-CE2 4.07Å; H351-F447 HydrophobicContact CB-CG 4.26Å; H351-F447 AromaticContact CD2-CD1 3.96Å; H351-F447 AromaticContact CD2-CD2 3.75Å; H351-F447 AromaticContact CD2-CG 3.5Å; H351-F447 AromaticContact CG-CD2 3.47Å; H351-F447 VanDerWaalsContact CG-CD2 3.47Å; H351-F447 AromaticContact CG-CE2 3.84Å; H351-F447 AromaticContact CG-CG 3.75Å; H351-F447 AromaticContact ND1-CD2 3.91Å; H351-F447 AromaticContact ND1-CE2 3.8Å; H351-F447 AromaticContact NE2-CD1 3.8Å; H351-F447 AromaticContact NE2-CG 3.85Å
352	E	92.6	Very high	93.9	Very high	43 Å²	43	60.4 Å²	60.4	20%	0.201	31%	0.305	C	S	.	.			trans	-72.8	137.4	176.2	-59.2	-170.5	164.9	0	0	111.2	C266 R268 K269 N354 A360	C266-E352 WeakPolarHBondContact O-CA 3.4Å; R268-E352 PolarHBondContact N-OE1 2.8Å; R268-E352 VanDerWaalsContact N-OE1 3.11Å; K269-E352 WeakPolarHBondContact CA-OE1 3.47Å; K269-E352 WeakPolarHBondContact CB-OE1 3.35Å; K269-E352 VanDerWaalsContact CG-OE1 3.27Å; K269-E352 WeakPolarHBondContact CG-OE1 3.41Å; K269-E352 PolarHBondContact N-OE1 2.93Å; E352-N354 PolarHBondContact O-N 2.97Å; E352-N354 PolarHBondContact O-ND2 2.67Å; E352-A360 WeakPolarHBondContact O-CB 2.89Å
353	S	91.6	Very high	93.9	Very high	49 Å²	49	53.9 Å²	53.9	34%	0.343	28%	0.275	S	S	.	.			trans	-59.4	132	176.8	-64.6	0	0	0	0	111.4	A360 F362	S353-A360 WeakPolarHBondContact CA-O 3.33Å; S353-A360 WeakPolarHBondContact CB-O 3.42Å; S353-A360 PolarHBondContact OG-O 3.1Å; S353-F362 VanDerWaalsContact OG-CB 3.25Å; S353-F362 WeakPolarHBondContact OG-CB 3.42Å; S353-F362 PolarHBondContact OG-N 3.45Å; S353-F362 VanDerWaalsContact OG-N 3.14Å
354	N	89.4	Confident	93.9	Very high	71 Å²	71	53.9 Å²	53.9	38%	0.38	28%	0.275	S	S	.	.			trans	-152.1	160.9	-179.5	66.3	84.7	0	0	0	109.8	E352 K356 D357 A360	E352-N354 PolarHBondContact O-N 2.97Å; E352-N354 PolarHBondContact O-ND2 2.67Å; N354-K356 VanDerWaalsContact C-N 3.32Å; N354-K356 WeakPolarHBondContact OD1-CB 3.36Å; N354-K356 PolarHBondContact OD1-N 3.13Å; N354-D357 PolarHBondContact OD1-N 2.91Å; N354-A360 WeakPolarHBondContact ND2-CB 3.5Å
355	E	85.9	Confident	93.9	Very high	205 Å²	205	52.6 Å²	52.6	96%	0.958	27%	0.266	S	S	*	.	S	Bend	trans	-80	-14.1	-178.1	-61.2	-177.3	167.1	0	0	113.4
356	K	91.9	Very high	93.9	Very high	200 Å²	200	53.7 Å²	53.7	87%	0.87	27%	0.27	S	S	*	.	S	Bend	trans	-81	-34.2	-174.7	-60.5	-177	-179	-179.7	0	112.4	N354	N354-K356 VanDerWaalsContact C-N 3.32Å; N354-K356 WeakPolarHBondContact OD1-CB 3.36Å; N354-K356 PolarHBondContact OD1-N 3.13Å
357	D	94.4	Very high	93.9	Very high	34 Å²	34	55.7 Å²	55.7	18%	0.182	28%	0.278	C	S	.	.			trans	-121.9	105.6	-178.6	-163.8	-25	0	0	0	111.2	N354 R359 A360 F447	N354-D357 PolarHBondContact OD1-N 2.91Å; D357-R359 PolarHBondContact O-N 3.09Å; D357-R359 WeakPolarHBondContact OD1-CB 3.38Å; D357-R359 VanDerWaalsContact OD1-CG 3.26Å; D357-R359 WeakPolarHBondContact OD1-CG 3.49Å; D357-R359 IonicContact OD1-CZ 3.38Å; D357-R359 PolarHBondContact OD1-N 2.97Å; D357-R359 IonicContact OD1-NE 2.67Å; D357-R359 PolarHBondContact OD1-NE 3.34Å; D357-R359 IonicContact OD1-NH2 2.65Å; D357-R359 IonicContact OD2-CZ 2.77Å; D357-R359 VanDerWaalsContact OD2-CZ 3.28Å; D357-R359 IonicContact OD2-NE 3.96Å; D357-R359 PolarHBondContact OD2-NE 2.94Å; D357-R359 VanDerWaalsContact OD2-NE 3.13Å; D357-R359 IonicContact OD2-NH2 2.64Å; D357-R359 PolarHBondContact OD2-NH2 3.31Å; D357-A360 WeakPolarHBondContact O-CB 3.21Å; D357-A360 PolarHBondContact O-N 2.7Å; D357-F447 VanDerWaalsContact OD2-CZ 3.25Å; D357-F447 WeakPolarHBondContact OD2-CZ 3.02Å
358	P	93.8	Very high	94	Very high	75 Å²	75	57.2 Å²	57.2	49%	0.487	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.4	-21.7	179.1	22.8	-32.3	0	0	0	113.1	A360 T361 F442	P358-A360 PolarHBondContact O-N 3.24Å; P358-T361 VanDerWaalsContact O-CB 3.31Å; P358-T361 WeakPolarHBondContact O-CB 3.24Å; P358-T361 PolarHBondContact O-N 2.62Å; P358-T361 VanDerWaalsContact O-N 3.14Å; P358-T361 PolarHBondContact O-OG1 3.45Å; P358-F442 HydrophobicContact CB-CE2 3.98Å
359	R	95.4	Very high	93.9	Very high	119 Å²	119	58.4 Å²	58.4	45%	0.449	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-68.6	-19.4	177.6	-55.2	175.9	-70.2	173.6	-0.9	112.9	D357 K445 L446 F447	D357-R359 PolarHBondContact O-N 3.09Å; D357-R359 WeakPolarHBondContact OD1-CB 3.38Å; D357-R359 VanDerWaalsContact OD1-CG 3.26Å; D357-R359 WeakPolarHBondContact OD1-CG 3.49Å; D357-R359 IonicContact OD1-CZ 3.38Å; D357-R359 PolarHBondContact OD1-N 2.97Å; D357-R359 IonicContact OD1-NE 2.67Å; D357-R359 PolarHBondContact OD1-NE 3.34Å; D357-R359 IonicContact OD1-NH2 2.65Å; D357-R359 IonicContact OD2-CZ 2.77Å; D357-R359 VanDerWaalsContact OD2-CZ 3.28Å; D357-R359 IonicContact OD2-NE 3.96Å; D357-R359 PolarHBondContact OD2-NE 2.94Å; D357-R359 VanDerWaalsContact OD2-NE 3.13Å; D357-R359 IonicContact OD2-NH2 2.64Å; D357-R359 PolarHBondContact OD2-NH2 3.31Å; R359-K445 WeakPolarHBondContact CB-O 3.14Å; R359-K445 VanDerWaalsContact CG-O 3.23Å; R359-K445 WeakPolarHBondContact CG-O 3.37Å; R359-L446 WeakPolarHBondContact O-CA 3.29Å; R359-F447 VanDerWaalsContact C-CD2 3.47Å; R359-F447 HydrophobicContact CB-CD1 4.37Å; R359-F447 HydrophobicContact CB-CD2 3.79Å; R359-F447 HydrophobicContact CB-CE1 4.29Å; R359-F447 HydrophobicContact CB-CE2 3.7Å; R359-F447 HydrophobicContact CB-CG 4.13Å; R359-F447 HydrophobicContact CB-CZ 3.97Å; R359-F447 VanDerWaalsContact O-CD2 3.32Å; R359-F447 WeakPolarHBondContact O-CD2 2.82Å; R359-F447 PolarHBondContact O-N 3.13Å
360	A	94.6	Very high	93.8	Very high	8 Å²	8	64.4 Å²	64.4	7%	0.066	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-89.2	-0.5	175.2	0	0	0	0	0	113.5	H351 E352 S353 N354 D357 P358 F362 F447	H351-A360 HydrophobicContact CB-CB 4.48Å; E352-A360 WeakPolarHBondContact O-CB 2.89Å; S353-A360 WeakPolarHBondContact CA-O 3.33Å; S353-A360 WeakPolarHBondContact CB-O 3.42Å; S353-A360 PolarHBondContact OG-O 3.1Å; N354-A360 WeakPolarHBondContact ND2-CB 3.5Å; D357-A360 WeakPolarHBondContact O-CB 3.21Å; D357-A360 PolarHBondContact O-N 2.7Å; P358-A360 PolarHBondContact O-N 3.24Å; A360-F362 PolarHBondContact O-N 3.05Å; A360-F447 HydrophobicContact CB-CD2 4.13Å; A360-F447 HydrophobicContact CB-CE2 3.97Å
361	T	95	Very high	93.8	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.202	30%	0.299	C	S	.	.			trans	-62.6	124.6	-177.1	-64.7	0	0	0	0	111	P358 V363 F442	P358-T361 VanDerWaalsContact O-CB 3.31Å; P358-T361 WeakPolarHBondContact O-CB 3.24Å; P358-T361 PolarHBondContact O-N 2.62Å; P358-T361 VanDerWaalsContact O-N 3.14Å; P358-T361 PolarHBondContact O-OG1 3.45Å; T361-V363 HydrophobicContact CG2-CG1 3.92Å; T361-V363 PolarHBondContact O-N 2.99Å; T361-F442 HydrophobicContact CG2-CZ 4.27Å
362	F	95.9	Very high	93.8	Very high	23 Å²	23	69.8 Å²	69.8	10%	0.101	33%	0.331	C	S	.	.			trans	-75.9	91	169.5	172.1	-119.9	0	0	0	109.9	I263 E265 H293 S353 A360 A364 R365	I263-F362 HydrophobicContact CG2-CD2 3.88Å; I263-F362 HydrophobicContact CG2-CE2 3.9Å; E265-F362 HydrophobicContact CB-CB 4.4Å; E265-F362 HydrophobicContact CB-CD1 4.11Å; E265-F362 HydrophobicContact CB-CD2 3.58Å; E265-F362 HydrophobicContact CB-CE1 4.25Å; E265-F362 HydrophobicContact CB-CE2 3.74Å; E265-F362 HydrophobicContact CB-CG 3.76Å; E265-F362 HydrophobicContact CB-CZ 4.06Å; E265-F362 HydrophobicContact CG-CB 4.21Å; E265-F362 HydrophobicContact CG-CD1 4.27Å; E265-F362 HydrophobicContact CG-CD2 4.31Å; E265-F362 HydrophobicContact CG-CG 4.01Å; H293-F362 HydrophobicContact CB-CZ 4.45Å; H293-F362 WeakPolarHBondContact O-CZ 3.49Å; S353-F362 VanDerWaalsContact OG-CB 3.25Å; S353-F362 WeakPolarHBondContact OG-CB 3.42Å; S353-F362 PolarHBondContact OG-N 3.45Å; S353-F362 VanDerWaalsContact OG-N 3.14Å; A360-F362 PolarHBondContact O-N 3.05Å; F362-A364 HydrophobicContact CD2-CB 4.27Å; F362-A364 HydrophobicContact CE1-CB 4.16Å; F362-A364 HydrophobicContact CE2-CB 3.49Å; F362-A364 VanDerWaalsContact CE2-CB 3.49Å; F362-A364 HydrophobicContact CZ-CB 3.44Å; F362-A364 VanDerWaalsContact CZ-CB 3.44Å; F362-A364 PolarHBondContact O-N 3.37Å; F362-R365 HydrophobicContact CE1-CB 4.2Å
363	V	97.1	Very high	93.8	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.2	-171.4	-61.4	0	0	0	0	114.7	I263 T361 E399 F400 F442 Y443 L446	I263-V363 HydrophobicContact CB-CG2 4.41Å; I263-V363 HydrophobicContact CD1-CG2 3.65Å; I263-V363 HydrophobicContact CG1-CG2 3.74Å; I263-V363 HydrophobicContact CG2-CG2 3.77Å; T361-V363 HydrophobicContact CG2-CG1 3.92Å; T361-V363 PolarHBondContact O-N 2.99Å; V363-E399 CarbonylContact O-C 3.45Å; V363-E399 WeakPolarHBondContact O-CA 3.49Å; V363-E399 WeakPolarHBondContact O-CB 3.44Å; V363-F400 HydrophobicContact CG2-CE1 4.24Å; V363-F400 HydrophobicContact CG2-CE2 4.03Å; V363-F400 HydrophobicContact CG2-CZ 3.77Å; V363-F400 PolarHBondContact O-N 3.44Å; V363-F442 HydrophobicContact CG1-CE1 3.6Å; V363-F442 HydrophobicContact CG1-CZ 4.02Å; V363-Y443 HydrophobicContact CB-CE1 4.35Å; V363-Y443 HydrophobicContact CG1-CD1 4.43Å; V363-Y443 HydrophobicContact CG1-CE1 4.28Å; V363-L446 HydrophobicContact CG1-CD1 3.83Å; V363-L446 HydrophobicContact CG1-CD2 4.14Å; V363-L446 HydrophobicContact CG2-CD1 3.84Å
364	A	97.6	Very high	94	Very high	0 Å²	0	73 Å²	73	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-51.7	-175.8	0	0	0	0	0	110.2	I263 F362 F401	I263-A364 HydrophobicContact CG2-CB 3.73Å; F362-A364 HydrophobicContact CD2-CB 4.27Å; F362-A364 HydrophobicContact CE1-CB 4.16Å; F362-A364 HydrophobicContact CE2-CB 3.49Å; F362-A364 VanDerWaalsContact CE2-CB 3.49Å; F362-A364 HydrophobicContact CZ-CB 3.44Å; F362-A364 VanDerWaalsContact CZ-CB 3.44Å; F362-A364 PolarHBondContact O-N 3.37Å; A364-F401 PolarHBondContact O-N 2.92Å
365	R	97.2	Very high	94.1	Very high	6 Å²	6	70.4 Å²	70.4	2%	0.023	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.2	-171.9	-93.6	47.6	167.6	-176.6	-5.2	111.5	N237 E242 H293 F362 F401	N237-R365 PolarHBondContact O-NH2 2.82Å; E242-R365 VanDerWaalsContact OE1-CD 3.3Å; E242-R365 WeakPolarHBondContact OE1-CD 3.28Å; E242-R365 WeakPolarHBondContact OE1-CG 3.31Å; E242-R365 IonicContact OE1-CZ 3.41Å; E242-R365 IonicContact OE1-NE 2.7Å; E242-R365 PolarHBondContact OE1-NE 2.84Å; H293-R365 HydrophobicContact CB-CB 4.42Å; H293-R365 HydrophobicContact CB-CG 3.86Å; F362-R365 HydrophobicContact CE1-CB 4.2Å; R365-F401 CarbonylContact C-O 3.59Å; R365-F401 WeakPolarHBondContact CA-O 3.33Å
366	Y	96.6	Very high	94.6	Very high	22 Å²	22	60.7 Å²	60.7	9%	0.086	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.8	163.5	-178.8	-124.5	0	0	0	110	I368 F394 R397 E399 F401 V402 N403	Y366-I368 HydrophobicContact CE1-CD1 4.36Å; Y366-I368 HydrophobicContact CE1-CG1 4.2Å; Y366-I368 HydrophobicContact CE2-CG1 4.33Å; Y366-I368 WeakPolarHBondContact OH-CD1 3.45Å; Y366-I368 WeakPolarHBondContact OH-CG1 3.4Å; Y366-F394 HydrophobicContact CD1-CD1 4.47Å; Y366-F394 HydrophobicContact CD1-CE1 4.39Å; Y366-F394 HydrophobicContact CE1-CD1 4.4Å; Y366-F394 HydrophobicContact CE1-CE1 4.21Å; Y366-R397 HydrophobicContact CD1-CG 4.13Å; Y366-R397 HydrophobicContact CD2-CG 4.36Å; Y366-R397 HydrophobicContact CE1-CG 4.24Å; Y366-R397 HydrophobicContact CE2-CG 4.47Å; Y366-R397 VanDerWaalsContact CE2-CZ 3.41Å; Y366-R397 HydrophobicContact CG-CG 4.2Å; Y366-E399 VanDerWaalsContact CD2-OE1 3.29Å; Y366-E399 WeakPolarHBondContact CD2-OE1 3.49Å; Y366-F401 PolarHBondContact N-O 3Å; Y366-V402 HydrophobicContact CD1-CB 4.47Å; Y366-V402 HydrophobicContact CD1-CG2 3.76Å; Y366-N403 PolarHBondContact O-N 2.93Å
367	K	95.5	Very high	94.6	Very high	42 Å²	42	59.2 Å²	59.2	18%	0.183	27%	0.269	C	S	.	.			trans	-137.8	144	175	-71.9	173.1	-172.7	172.1	0	108.7	H293 W369 N403	H293-K367 PolarHBondContact CE1-NZ 3.43Å; H293-K367 VanDerWaalsContact CE1-NZ 3.35Å; H293-K367 WeakPolarHBondContact ND1-CE 3.47Å; H293-K367 PolarHBondContact ND1-NZ 2.8Å; K367-W369 HydrophobicContact CD-CZ2 4.14Å; K367-N403 HydrophobicContact CD-CB 4.44Å; K367-N403 HydrophobicContact CG-CB 3.75Å
368	I	95.2	Very high	94.7	Very high	36 Å²	36	62.3 Å²	62.3	19%	0.185	28%	0.278	C	S	.	.			trans	-104.8	99.4	171.3	-53.8	173.2	0	0	0	107.9	Y366 P371 I383 C384 L386	Y366-I368 HydrophobicContact CE1-CD1 4.36Å; Y366-I368 HydrophobicContact CE1-CG1 4.2Å; Y366-I368 HydrophobicContact CE2-CG1 4.33Å; Y366-I368 WeakPolarHBondContact OH-CD1 3.45Å; Y366-I368 WeakPolarHBondContact OH-CG1 3.4Å; I368-P371 HydrophobicContact CG2-CB 3.79Å; I368-P371 HydrophobicContact CG2-CG 4.17Å; I368-I383 WeakPolarHBondContact O-CA 3.46Å; I368-C384 HydrophobicContact CB-CB 3.73Å; I368-C384 HydrophobicContact CD1-CB 4.3Å; I368-C384 HydrophobicContact CG2-CB 4Å; I368-C384 PolarHBondContact O-N 3.36Å; I368-L386 HydrophobicContact CD1-CD2 3.99Å
369	W	92.6	Very high	94.8	Very high	106 Å²	106	62.7 Å²	62.7	40%	0.402	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-93.1	142.4	178.9	-74.8	106.2	0	0	0	111.7	K367 P371 I383	K367-W369 HydrophobicContact CD-CZ2 4.14Å; W369-P371 VanDerWaalsContact C-N 3.3Å; W369-I383 HydrophobicContact CD2-CD1 4.44Å; W369-I383 HydrophobicContact CD2-CG1 3.86Å; W369-I383 HydrophobicContact CE3-CD1 4.18Å; W369-I383 HydrophobicContact CE3-CG1 3.43Å; W369-I383 VanDerWaalsContact CE3-CG1 3.43Å; W369-I383 HydrophobicContact CH2-CD1 3.37Å; W369-I383 HydrophobicContact CH2-CG1 3.61Å; W369-I383 HydrophobicContact CZ2-CD1 3.65Å; W369-I383 HydrophobicContact CZ2-CG1 3.99Å; W369-I383 HydrophobicContact CZ3-CD1 3.64Å; W369-I383 HydrophobicContact CZ3-CG1 3.29Å
370	W	91.4	Very high	94.7	Very high	190 Å²	190	59.3 Å²	59.3	72%	0.72	27%	0.268	S	S	*	.	S	Bend	trans	45.3	46.2	176.8	-51.3	99.9	0	0	0	114.1	N372 S382	W370-N372 PolarHBondContact O-N 2.96Å; W370-S382 VanDerWaalsContact CE3-OG 3.27Å; W370-S382 WeakPolarHBondContact CH2-OG 3.06Å; W370-S382 VanDerWaalsContact CZ3-CB 3.45Å; W370-S382 WeakPolarHBondContact CZ3-OG 3.3Å; W370-S382 PolarHBondContact N-O 3.47Å
371	P	93.1	Very high	94.6	Very high	23 Å²	23	67.2 Å²	67.2	15%	0.149	30%	0.296	C	S	.	.			trans	-67.2	132.4	-178	28.2	-33.7	0	0	0	110.6	I368 W369 Y373 C374 I379 C384	I368-P371 HydrophobicContact CG2-CB 3.79Å; I368-P371 HydrophobicContact CG2-CG 4.17Å; W369-P371 VanDerWaalsContact C-N 3.3Å; P371-Y373 WeakPolarHBondContact CB-O 3.46Å; P371-Y373 PolarHBondContact O-N 3.47Å; P371-C374 HydrophobicContact CB-CB 4.49Å; P371-C374 HydrophobicContact CG-CB 4.09Å; P371-I379 HydrophobicContact CG-CD1 3.84Å; P371-I379 HydrophobicContact CG-CG1 4.06Å; P371-C384 HydrophobicContact CG-CB 4.18Å
372	N	93	Very high	94.6	Very high	180 Å²	180	67.2 Å²	67.2	96%	0.963	30%	0.297	S	S	*	.	S	Bend	trans	-60.1	-33.1	163.4	-69.8	-30.3	0	0	0	110.8	W370	W370-N372 PolarHBondContact O-N 2.96Å
373	Y	93	Very high	94.6	Very high	156 Å²	156	66.7 Å²	66.7	61%	0.612	30%	0.295	S	S	*	.			trans	-143.9	128.6	175.6	177.6	-104.2	0	0	0	110.4	P371	P371-Y373 WeakPolarHBondContact CB-O 3.46Å; P371-Y373 PolarHBondContact O-N 3.47Å
374	C	95.1	Very high	94.6	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.027	30%	0.295	C	S	.	.			trans	-106.6	125.5	173.5	171.7	0	0	0	0	108.2	P371 S376 R377 R378 I379 C384	P371-C374 HydrophobicContact CB-CB 4.49Å; P371-C374 HydrophobicContact CG-CB 4.09Å; C374-S376 PolarHBondContact O-N 2.91Å; C374-S376 VanDerWaalsContact O-N 3.13Å; C374-S376 PolarHBondContact SG-OG 3.43Å; C374-R377 WeakPolarHBondContact O-CA 3.45Å; C374-R377 PolarHBondContact O-N 2.94Å; C374-R378 PolarHBondContact SG-O 3.4Å; C374-I379 HydrophobicContact CB-CD1 4.15Å; C374-I379 HydrophobicContact CB-CG1 3.72Å; C374-C384 HydrophobicContact CB-CB 3.83Å; C374-C384 WeakPolarHBondContact CB-SG 3.38Å; C374-C384 WeakPolarHBondContact SG-CA 3.19Å; C374-C384 WeakPolarHBondContact SG-CB 3.49Å; C374-C384 CovalentContact SG-SG 2.03Å; C374-C384 PolarHBondContact SG-SG 3.27Å
375	G	92.8	Very high	94.5	Very high	16 Å²	16	66.7 Å²	66.7	17%	0.165	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31	-171.9	0	0	0	0	0	114.1	R377 Q389	G375-R377 VanDerWaalsContact C-N 3.31Å; G375-Q389 WeakPolarHBondContact O-CG 3.29Å; G375-Q389 PolarHBondContact O-NE2 3.37Å
376	S	94.7	Very high	94.5	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.014	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	175.8	68.5	0	0	0	0	113.9	C374 R378 I385 F409	C374-S376 PolarHBondContact O-N 2.91Å; C374-S376 VanDerWaalsContact O-N 3.13Å; C374-S376 PolarHBondContact SG-OG 3.43Å; S376-R378 PolarHBondContact O-N 3.43Å; S376-R378 PolarHBondContact OG-N 3.27Å; S376-I385 VanDerWaalsContact CB-O 3.24Å; S376-I385 WeakPolarHBondContact CB-O 3.3Å; S376-I385 PolarHBondContact OG-O 2.62Å; S376-F409 WeakPolarHBondContact O-CZ 3.48Å
377	R	93.8	Very high	94.5	Very high	168 Å²	168	65.4 Å²	65.4	63%	0.634	29%	0.29	S	S	*	.	S	Bend	trans	63.4	12.1	-176.5	-53.6	177.7	171.6	-163	-8.1	115.4	C374 G375	C374-R377 WeakPolarHBondContact O-CA 3.45Å; C374-R377 PolarHBondContact O-N 2.94Å; G375-R377 VanDerWaalsContact C-N 3.31Å
378	R	94.9	Very high	94.6	Very high	99 Å²	99	63.4 Å²	63.4	37%	0.374	28%	0.282	S	S	.	.			trans	-118.5	119	177.5	-169.8	174.7	-176.7	173.4	2.1	111.7	C374 S376 V380 I385 F409	C374-R378 PolarHBondContact SG-O 3.4Å; S376-R378 PolarHBondContact O-N 3.43Å; S376-R378 PolarHBondContact OG-N 3.27Å; R378-V380 HydrophobicContact CG-CG2 4.32Å; R378-I385 HydrophobicContact CB-CB 4.16Å; R378-I385 HydrophobicContact CB-CG1 4.22Å; R378-I385 HydrophobicContact CG-CB 4.22Å; R378-I385 HydrophobicContact CG-CG1 3.78Å; R378-I385 PolarHBondContact O-N 2.9Å; R378-F409 HydrophobicContact CB-CE1 3.69Å; R378-F409 HydrophobicContact CB-CE2 3.83Å; R378-F409 HydrophobicContact CB-CZ 3.22Å; R378-F409 HydrophobicContact CG-CE1 4.33Å; R378-F409 HydrophobicContact CG-CE2 4.36Å; R378-F409 HydrophobicContact CG-CZ 4.06Å; R378-F409 VanDerWaalsContact NH1-CB 3.28Å
379	I	95.8	Very high	94.7	Very high	84 Å²	84	62.8 Å²	62.8	43%	0.431	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130	174.9	-60.6	168.3	0	0	0	107.8	P371 C374 I383	P371-I379 HydrophobicContact CG-CD1 3.84Å; P371-I379 HydrophobicContact CG-CG1 4.06Å; C374-I379 HydrophobicContact CB-CD1 4.15Å; C374-I379 HydrophobicContact CB-CG1 3.72Å; I379-I383 WeakPolarHBondContact CA-O 3.29Å
380	V	94.4	Very high	94.9	Very high	47 Å²	47	58.2 Å²	58.2	29%	0.285	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.7	176.1	178.7	0	0	0	0	109	R378 S382 I383 I385 K404	R378-V380 HydrophobicContact CG-CG2 4.32Å; V380-S382 VanDerWaalsContact C-N 3.29Å; V380-S382 PolarHBondContact O-N 2.92Å; V380-I383 PolarHBondContact N-O 3.06Å; V380-I383 PolarHBondContact O-N 3.49Å; V380-I385 HydrophobicContact CB-CD1 3.88Å; V380-I385 HydrophobicContact CB-CG1 4.28Å; V380-I385 HydrophobicContact CG2-CD1 3.79Å; V380-I385 HydrophobicContact CG2-CG1 3.73Å; V380-K404 PolarHBondContact O-NZ 3.28Å
381	R	92.6	Very high	95.2	Very high	175 Å²	175	49.2 Å²	49.2	66%	0.66	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	49.7	-175.6	-56.4	-179.7	-173.6	-177.4	1	111.2	I383	R381-I383 PolarHBondContact O-N 3.23Å; R381-I383 VanDerWaalsContact O-N 3.13Å
382	S	94.1	Very high	95.4	Very high	32 Å²	32	49.9 Å²	49.9	22%	0.224	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	14	177.7	-46.6	0	0	0	0	116.4	W370 V380	W370-S382 VanDerWaalsContact CE3-OG 3.27Å; W370-S382 WeakPolarHBondContact CH2-OG 3.06Å; W370-S382 VanDerWaalsContact CZ3-CB 3.45Å; W370-S382 WeakPolarHBondContact CZ3-OG 3.3Å; W370-S382 PolarHBondContact N-O 3.47Å; V380-S382 VanDerWaalsContact C-N 3.29Å; V380-S382 PolarHBondContact O-N 2.92Å
383	I	95.3	Very high	95.6	Very high	13 Å²	13	44 Å²	44	7%	0.067	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.4	173.1	-57.2	176	0	0	0	108.8	I368 W369 I379 V380 R381 I385 K404	I368-I383 WeakPolarHBondContact O-CA 3.46Å; W369-I383 HydrophobicContact CD2-CD1 4.44Å; W369-I383 HydrophobicContact CD2-CG1 3.86Å; W369-I383 HydrophobicContact CE3-CD1 4.18Å; W369-I383 HydrophobicContact CE3-CG1 3.43Å; W369-I383 VanDerWaalsContact CE3-CG1 3.43Å; W369-I383 HydrophobicContact CH2-CD1 3.37Å; W369-I383 HydrophobicContact CH2-CG1 3.61Å; W369-I383 HydrophobicContact CZ2-CD1 3.65Å; W369-I383 HydrophobicContact CZ2-CG1 3.99Å; W369-I383 HydrophobicContact CZ3-CD1 3.64Å; W369-I383 HydrophobicContact CZ3-CG1 3.29Å; I379-I383 WeakPolarHBondContact CA-O 3.29Å; V380-I383 PolarHBondContact N-O 3.06Å; V380-I383 PolarHBondContact O-N 3.49Å; R381-I383 PolarHBondContact O-N 3.23Å; R381-I383 VanDerWaalsContact O-N 3.13Å; I383-I385 PolarHBondContact O-N 3.43Å; I383-K404 HydrophobicContact CD1-CD 4.42Å; I383-K404 HydrophobicContact CG2-CD 4.16Å; I383-K404 HydrophobicContact CG2-CG 4.13Å
384	C	97.5	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.2	170.1	-172.6	0	0	0	0	110.4	I368 P371 C374 H390	I368-C384 HydrophobicContact CB-CB 3.73Å; I368-C384 HydrophobicContact CD1-CB 4.3Å; I368-C384 HydrophobicContact CG2-CB 4Å; I368-C384 PolarHBondContact O-N 3.36Å; P371-C384 HydrophobicContact CG-CB 4.18Å; C374-C384 HydrophobicContact CB-CB 3.83Å; C374-C384 WeakPolarHBondContact CB-SG 3.38Å; C374-C384 WeakPolarHBondContact SG-CA 3.19Å; C374-C384 WeakPolarHBondContact SG-CB 3.49Å; C374-C384 CovalentContact SG-SG 2.03Å; C374-C384 PolarHBondContact SG-SG 3.27Å; C384-H390 PolarHBondContact SG-NE2 2.94Å; C384-H390 VanDerWaalsContact SG-NE2 3.44Å
385	I	97	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-80.2	126.7	168.6	-52.6	-55.2	0	0	0	107.9	S376 R378 V380 I383 K404 N406 F409	S376-I385 VanDerWaalsContact CB-O 3.24Å; S376-I385 WeakPolarHBondContact CB-O 3.3Å; S376-I385 PolarHBondContact OG-O 2.62Å; R378-I385 HydrophobicContact CB-CB 4.16Å; R378-I385 HydrophobicContact CB-CG1 4.22Å; R378-I385 HydrophobicContact CG-CB 4.22Å; R378-I385 HydrophobicContact CG-CG1 3.78Å; R378-I385 PolarHBondContact O-N 2.9Å; V380-I385 HydrophobicContact CB-CD1 3.88Å; V380-I385 HydrophobicContact CB-CG1 4.28Å; V380-I385 HydrophobicContact CG2-CD1 3.79Å; V380-I385 HydrophobicContact CG2-CG1 3.73Å; I383-I385 PolarHBondContact O-N 3.43Å; I385-K404 HydrophobicContact CD1-CD 3.97Å; I385-K404 HydrophobicContact CD1-CG 3.65Å; I385-N406 WeakPolarHBondContact CD1-ND2 3.49Å; I385-N406 HydrophobicContact CG2-CB 3.98Å; I385-F409 HydrophobicContact CB-CD1 4.05Å; I385-F409 HydrophobicContact CB-CE1 3.74Å; I385-F409 HydrophobicContact CG2-CD1 3.32Å; I385-F409 HydrophobicContact CG2-CE1 3.52Å; I385-F409 HydrophobicContact CG2-CG 4.45Å
386	L	97	Very high	95.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-79.4	152.1	-171.2	-59.8	171	0	0	0	111.8	I368 H390 F394 V402 K404 F405	I368-L386 HydrophobicContact CD1-CD2 3.99Å; L386-H390 HydrophobicContact CD2-CB 4.33Å; L386-F394 HydrophobicContact CB-CZ 4.06Å; L386-F394 HydrophobicContact CD1-CE1 4.07Å; L386-F394 HydrophobicContact CD1-CZ 3.92Å; L386-F394 HydrophobicContact CD2-CE1 4.34Å; L386-F394 HydrophobicContact CD2-CZ 4.37Å; L386-F394 HydrophobicContact CG-CZ 4.35Å; L386-V402 HydrophobicContact CD1-CG2 3.1Å; L386-K404 PolarHBondContact N-O 2.94Å; L386-F405 HydrophobicContact CB-CD1 4.08Å; L386-F405 HydrophobicContact CB-CE1 3.88Å; L386-F405 HydrophobicContact CB-CZ 4.27Å; L386-F405 HydrophobicContact CD1-CE2 4.36Å; L386-F405 HydrophobicContact CD1-CZ 4.32Å
387	G	96.5	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.214	C	C	.	.			trans	-156.2	-176.1	-175.3	0	0	0	0	0	111.7	Q389 H390 H410	G387-Q389 VanDerWaalsContact C-OE1 3.25Å; G387-Q389 PolarHBondContact O-N 3.49Å; G387-H390 PolarHBondContact N-ND1 3.36Å; G387-H390 VanDerWaalsContact N-ND1 3.15Å; G387-H390 WeakPolarHBondContact O-CB 3.43Å; G387-H390 PolarHBondContact O-N 2.98Å; G387-H390 PolarHBondContact O-ND1 3.43Å; G387-H390 VanDerWaalsContact O-ND1 3.15Å; G387-H410 VanDerWaalsContact CA-CB 3.46Å
388	I	97	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-58.6	-24.8	-170.5	61.8	161.1	0	0	0	113.4	F86 V91 T96 F100 H390 L391 F412 A413	F86-I388 HydrophobicContact CD2-CB 4.06Å; F86-I388 HydrophobicContact CD2-CD1 4.27Å; F86-I388 HydrophobicContact CD2-CG2 4.25Å; F86-I388 HydrophobicContact CE2-CB 4.29Å; F86-I388 HydrophobicContact CE2-CD1 3.73Å; F86-I388 HydrophobicContact CE2-CG2 4.35Å; F86-I388 HydrophobicContact CZ-CD1 4.09Å; V91-I388 HydrophobicContact CB-CD1 4.48Å; V91-I388 HydrophobicContact CG1-CD1 3.98Å; V91-I388 HydrophobicContact CG2-CD1 4.28Å; T96-I388 HydrophobicContact CG2-CD1 4.15Å; F100-I388 HydrophobicContact CB-CD1 3.56Å; F100-I388 HydrophobicContact CB-CG1 4.18Å; F100-I388 HydrophobicContact CB-CG2 4.12Å; F100-I388 HydrophobicContact CD2-CD1 3.72Å; F100-I388 HydrophobicContact CG-CD1 3.85Å; F100-I388 HydrophobicContact CG-CG2 4.46Å; I388-H390 PolarHBondContact O-N 3.07Å; I388-H390 VanDerWaalsContact O-N 3.14Å; I388-L391 HydrophobicContact CB-CD1 4.09Å; I388-L391 HydrophobicContact CG2-CD1 4.2Å; I388-L391 PolarHBondContact O-N 3.44Å; I388-F412 HydrophobicContact CG2-CB 4.26Å; I388-F412 HydrophobicContact CG2-CD1 4Å; I388-A413 HydrophobicContact CG2-CB 3.99Å
389	Q	97	Very high	96.2	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.107	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-63.1	-17.1	176.7	-52.4	87.5	-18	0	0	113.1	G375 G387 H410	G375-Q389 WeakPolarHBondContact O-CG 3.29Å; G375-Q389 PolarHBondContact O-NE2 3.37Å; G387-Q389 VanDerWaalsContact C-OE1 3.25Å; G387-Q389 PolarHBondContact O-N 3.49Å; Q389-H410 PolarHBondContact NE2-CE1 2.85Å; Q389-H410 VanDerWaalsContact NE2-CE1 3.34Å; Q389-H410 PolarHBondContact NE2-NE2 3.03Å
390	H	97.4	Very high	96.3	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.046	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-104.9	-7.1	-176.3	-51	87.2	0	0	0	113.2	C384 L386 G387 I388 H392 N393 F394	C384-H390 PolarHBondContact SG-NE2 2.94Å; C384-H390 VanDerWaalsContact SG-NE2 3.44Å; L386-H390 HydrophobicContact CD2-CB 4.33Å; G387-H390 PolarHBondContact N-ND1 3.36Å; G387-H390 VanDerWaalsContact N-ND1 3.15Å; G387-H390 WeakPolarHBondContact O-CB 3.43Å; G387-H390 PolarHBondContact O-N 2.98Å; G387-H390 PolarHBondContact O-ND1 3.43Å; G387-H390 VanDerWaalsContact O-ND1 3.15Å; I388-H390 PolarHBondContact O-N 3.07Å; I388-H390 VanDerWaalsContact O-N 3.14Å; H390-H392 PolarHBondContact O-N 2.81Å; H390-N393 WeakPolarHBondContact O-CB 3.06Å; H390-N393 PolarHBondContact O-N 3.47Å; H390-N393 VanDerWaalsContact O-N 3.09Å; H390-F394 HydrophobicContact CB-CD1 4.43Å; H390-F394 HydrophobicContact CB-CE1 3.61Å; H390-F394 HydrophobicContact CB-CE2 4.25Å; H390-F394 HydrophobicContact CB-CZ 3.51Å; H390-F394 WeakPolarHBondContact O-CD1 3.48Å; H390-F394 WeakPolarHBondContact O-CG 3.25Å; H390-F394 PolarHBondContact O-N 3.07Å; H390-F394 VanDerWaalsContact O-N 3.11Å
391	L	97.7	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.3	-47	-173.7	-77.3	170.6	0	0	0	112.4	F86 L87 I388 N393 F394 A413 C416	F86-L391 HydrophobicContact CB-CB 4.28Å; F86-L391 HydrophobicContact CB-CD1 3.57Å; F86-L391 HydrophobicContact CD2-CD1 4.06Å; F86-L391 HydrophobicContact CG-CD1 4.33Å; F86-L391 WeakPolarHBondContact O-CB 3.43Å; L87-L391 HydrophobicContact CD2-CB 4.26Å; L87-L391 HydrophobicContact CD2-CD2 4.24Å; I388-L391 HydrophobicContact CB-CD1 4.09Å; I388-L391 HydrophobicContact CG2-CD1 4.2Å; I388-L391 PolarHBondContact O-N 3.44Å; L391-N393 VanDerWaalsContact C-N 3.33Å; L391-N393 PolarHBondContact O-N 3.18Å; L391-F394 HydrophobicContact CD2-CD2 4.03Å; L391-F394 HydrophobicContact CD2-CE2 4.13Å; L391-F394 WeakPolarHBondContact O-CB 3.08Å; L391-F394 PolarHBondContact O-N 3.21Å; L391-A413 HydrophobicContact CD2-CB 4.48Å; L391-A413 WeakPolarHBondContact CD2-O 3.49Å; L391-A413 HydrophobicContact CG-CB 4.49Å; L391-C416 HydrophobicContact CD1-CB 3.72Å; L391-C416 HydrophobicContact CD2-CB 3.67Å; L391-C416 HydrophobicContact CG-CB 4.37Å
392	H	97.6	Very high	96.8	Very high	37 Å²	37	22.7 Å²	22.7	17%	0.171	11%	0.114	C	C	.	.	H	α-helix	trans	-58	-45.4	176	-176.9	55.4	0	0	0	112.4	F86 L87 K88 T90 H390 F394 T395 Q396	F86-H392 PolarHBondContact O-N 3.35Å; F86-H392 VanDerWaalsContact O-N 3.16Å; L87-H392 WeakPolarHBondContact O-CA 3.45Å; L87-H392 PolarHBondContact O-ND1 2.98Å; K88-H392 VanDerWaalsContact C-ND1 3.32Å; K88-H392 PolarHBondContact O-CE1 3.31Å; K88-H392 PolarHBondContact O-ND1 3.15Å; T90-H392 PolarHBondContact OG1-CD2 2.97Å; H390-H392 PolarHBondContact O-N 2.81Å; H392-F394 VanDerWaalsContact C-N 3.26Å; H392-F394 PolarHBondContact O-N 2.94Å; H392-T395 WeakPolarHBondContact O-CB 3.48Å; H392-T395 PolarHBondContact O-N 3.26Å; H392-T395 VanDerWaalsContact O-N 3.08Å; H392-T395 PolarHBondContact O-OG1 3.49Å; H392-Q396 PolarHBondContact CD2-NE2 3.43Å; H392-Q396 PolarHBondContact CE1-NE2 3.34Å; H392-Q396 PolarHBondContact NE2-NE2 2.97Å
393	N	96.2	Very high	96.9	Very high	58 Å²	58	21.6 Å²	21.6	31%	0.31	11%	0.105	S	C	.	.	H	α-helix	trans	-58.9	-38.6	178.5	-75.5	20.2	0	0	0	111.8	H390 L391 T395 Q396 R397	H390-N393 WeakPolarHBondContact O-CB 3.06Å; H390-N393 PolarHBondContact O-N 3.47Å; H390-N393 VanDerWaalsContact O-N 3.09Å; L391-N393 VanDerWaalsContact C-N 3.33Å; L391-N393 PolarHBondContact O-N 3.18Å; N393-T395 PolarHBondContact O-N 3.26Å; N393-Q396 PolarHBondContact O-N 3.48Å; N393-R397 WeakPolarHBondContact O-CG 3.22Å; N393-R397 PolarHBondContact O-N 3.12Å; N393-R397 VanDerWaalsContact O-N 3.15Å
394	F	97	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.8	-34.4	178.4	-58.8	-22.4	0	0	0	112.7	L245 Y366 L386 H390 L391 H392 Q396 R397 V402 F405 L417	L245-F394 HydrophobicContact CD2-CB 3.74Å; L245-F394 HydrophobicContact CD2-CD1 4.46Å; L245-F394 HydrophobicContact CD2-CG 4.12Å; Y366-F394 HydrophobicContact CD1-CD1 4.47Å; Y366-F394 HydrophobicContact CD1-CE1 4.39Å; Y366-F394 HydrophobicContact CE1-CD1 4.4Å; Y366-F394 HydrophobicContact CE1-CE1 4.21Å; L386-F394 HydrophobicContact CB-CZ 4.06Å; L386-F394 HydrophobicContact CD1-CE1 4.07Å; L386-F394 HydrophobicContact CD1-CZ 3.92Å; L386-F394 HydrophobicContact CD2-CE1 4.34Å; L386-F394 HydrophobicContact CD2-CZ 4.37Å; L386-F394 HydrophobicContact CG-CZ 4.35Å; H390-F394 HydrophobicContact CB-CD1 4.43Å; H390-F394 HydrophobicContact CB-CE1 3.61Å; H390-F394 HydrophobicContact CB-CE2 4.25Å; H390-F394 HydrophobicContact CB-CZ 3.51Å; H390-F394 WeakPolarHBondContact O-CD1 3.48Å; H390-F394 WeakPolarHBondContact O-CG 3.25Å; H390-F394 PolarHBondContact O-N 3.07Å; H390-F394 VanDerWaalsContact O-N 3.11Å; L391-F394 HydrophobicContact CD2-CD2 4.03Å; L391-F394 HydrophobicContact CD2-CE2 4.13Å; L391-F394 WeakPolarHBondContact O-CB 3.08Å; L391-F394 PolarHBondContact O-N 3.21Å; H392-F394 VanDerWaalsContact C-N 3.26Å; H392-F394 PolarHBondContact O-N 2.94Å; F394-Q396 PolarHBondContact O-N 3.36Å; F394-R397 PolarHBondContact O-N 2.75Å; F394-V402 HydrophobicContact CD1-CG2 4.32Å; F394-V402 HydrophobicContact CE1-CG2 3.82Å; F394-V402 HydrophobicContact CZ-CG2 4.24Å; F394-F405 HydrophobicContact CE2-CE1 4.3Å; F394-F405 AromaticContact CE2-CZ 3.9Å; F394-F405 HydrophobicContact CE2-CZ 3.9Å; F394-F405 HydrophobicContact CZ-CE1 4.45Å; F394-F405 HydrophobicContact CZ-CZ 4.05Å; F394-L417 HydrophobicContact CB-CD1 4.49Å; F394-L417 HydrophobicContact CD2-CD1 4.25Å; F394-L417 HydrophobicContact CD2-CD2 4.13Å; F394-L417 HydrophobicContact CE2-CD2 4.31Å
395	T	95.8	Very high	96.7	Very high	48 Å²	48	22.4 Å²	22.4	29%	0.294	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.9	178.7	74.4	0	0	0	0	113.8	L87 H392 N393 W420	L87-T395 HydrophobicContact CB-CG2 4.18Å; L87-T395 HydrophobicContact CD2-CG2 3.8Å; H392-T395 WeakPolarHBondContact O-CB 3.48Å; H392-T395 PolarHBondContact O-N 3.26Å; H392-T395 VanDerWaalsContact O-N 3.08Å; H392-T395 PolarHBondContact O-OG1 3.49Å; N393-T395 PolarHBondContact O-N 3.26Å; T395-W420 HydrophobicContact CG2-CZ2 4.1Å
396	Q	95.1	Very high	96.5	Very high	123 Å²	123	23.9 Å²	23.9	58%	0.575	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-17.3	-178.2	-54.6	-179.1	0.6	0	0	113	H392 N393 F394	H392-Q396 PolarHBondContact CD2-NE2 3.43Å; H392-Q396 PolarHBondContact CE1-NE2 3.34Å; H392-Q396 PolarHBondContact NE2-NE2 2.97Å; N393-Q396 PolarHBondContact O-N 3.48Å; F394-Q396 PolarHBondContact O-N 3.36Å
397	R	95.4	Very high	96.1	Very high	85 Å²	85	28 Å²	28	32%	0.321	14%	0.139	S	C	.	.			trans	-68.4	151.2	-177.6	-75.7	-37	-70.9	-166.5	-12.9	112.3	L245 R246 Y366 N393 F394 E399	L245-R397 HydrophobicContact CD1-CB 3.83Å; L245-R397 HydrophobicContact CD1-CG 4.48Å; R246-R397 PolarHBondContact NH1-O 3.46Å; R246-R397 VanDerWaalsContact NH1-O 3.13Å; R246-R397 PolarHBondContact NH2-O 3.2Å; Y366-R397 HydrophobicContact CD1-CG 4.13Å; Y366-R397 HydrophobicContact CD2-CG 4.36Å; Y366-R397 HydrophobicContact CE1-CG 4.24Å; Y366-R397 HydrophobicContact CE2-CG 4.47Å; Y366-R397 VanDerWaalsContact CE2-CZ 3.41Å; Y366-R397 HydrophobicContact CG-CG 4.2Å; N393-R397 WeakPolarHBondContact O-CG 3.22Å; N393-R397 PolarHBondContact O-N 3.12Å; N393-R397 VanDerWaalsContact O-N 3.15Å; F394-R397 PolarHBondContact O-N 2.75Å; R397-E399 VanDerWaalsContact CB-OE2 3.25Å; R397-E399 WeakPolarHBondContact CB-OE2 3.35Å; R397-E399 IonicContact CZ-OE1 3.13Å; R397-E399 IonicContact CZ-OE2 3.87Å; R397-E399 IonicContact NE-OE1 2.93Å; R397-E399 PolarHBondContact NE-OE1 3.36Å; R397-E399 IonicContact NE-OE2 3.28Å; R397-E399 PolarHBondContact NE-OE2 3.02Å; R397-E399 IonicContact NH2-OE1 2.7Å; R397-E399 PolarHBondContact NH2-OE1 2.58Å; R397-E399 IonicContact NH2-OE2 2.67Å
398	T	96.3	Very high	95.8	Very high	37 Å²	37	30.2 Å²	30.2	23%	0.227	16%	0.161	C	C	.	.			trans	-101	-11	-178.7	54.1	0	0	0	0	114.4	F442 Y443	T398-F442 HydrophobicContact CG2-CD1 3.92Å; T398-F442 HydrophobicContact CG2-CD2 4.37Å; T398-F442 HydrophobicContact CG2-CE1 3.75Å; T398-F442 HydrophobicContact CG2-CE2 4.21Å; T398-F442 HydrophobicContact CG2-CG 4.24Å; T398-F442 HydrophobicContact CG2-CZ 3.92Å; T398-F442 WeakPolarHBondContact OG1-CE1 3.49Å; T398-F442 WeakPolarHBondContact OG1-CZ 3.34Å; T398-Y443 WeakPolarHBondContact O-CE1 3.39Å; T398-Y443 PolarHBondContact O-OH 3.24Å
399	E	97.8	Very high	95.6	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.033	16%	0.163	C	C	.	.			trans	-70.4	161.4	-175.1	-62.1	92.8	148.7	0	0	113.5	L245 V363 Y366 R397	L245-E399 WeakPolarHBondContact CB-O 3.39Å; L245-E399 HydrophobicContact CD1-CB 4.24Å; V363-E399 CarbonylContact O-C 3.45Å; V363-E399 WeakPolarHBondContact O-CA 3.49Å; V363-E399 WeakPolarHBondContact O-CB 3.44Å; Y366-E399 VanDerWaalsContact CD2-OE1 3.29Å; Y366-E399 WeakPolarHBondContact CD2-OE1 3.49Å; R397-E399 VanDerWaalsContact CB-OE2 3.25Å; R397-E399 WeakPolarHBondContact CB-OE2 3.35Å; R397-E399 IonicContact CZ-OE1 3.13Å; R397-E399 IonicContact CZ-OE2 3.87Å; R397-E399 IonicContact NE-OE1 2.93Å; R397-E399 PolarHBondContact NE-OE1 3.36Å; R397-E399 IonicContact NE-OE2 3.28Å; R397-E399 PolarHBondContact NE-OE2 3.02Å; R397-E399 IonicContact NH2-OE1 2.7Å; R397-E399 PolarHBondContact NH2-OE1 2.58Å; R397-E399 IonicContact NH2-OE2 2.67Å
400	F	98.3	Very high	95.5	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.158	C	C	.	.	S	Bend	trans	-77.4	-42.2	179.4	-56.7	-27.6	0	0	0	112.3	L236 L245 R246 L251 A254 L255 I263 A295 V363 Y443	L236-F400 HydrophobicContact CD2-CD2 4.15Å; L245-F400 PolarHBondContact N-O 3.15Å; R246-F400 HydrophobicContact CG-CD1 4.36Å; L251-F400 HydrophobicContact CD1-CB 3.96Å; L251-F400 HydrophobicContact CD1-CD1 3.59Å; L251-F400 HydrophobicContact CD1-CD2 3.79Å; L251-F400 HydrophobicContact CD1-CE1 3.95Å; L251-F400 HydrophobicContact CD1-CE2 4.13Å; L251-F400 HydrophobicContact CD1-CG 3.5Å; L251-F400 HydrophobicContact CD1-CZ 4.21Å; A254-F400 HydrophobicContact CB-CE1 3.63Å; A254-F400 HydrophobicContact CB-CZ 4.19Å; L255-F400 HydrophobicContact CD2-CE2 3.97Å; L255-F400 HydrophobicContact CD2-CZ 4.17Å; I263-F400 HydrophobicContact CG1-CE2 4.1Å; I263-F400 HydrophobicContact CG1-CZ 4.47Å; A295-F400 HydrophobicContact CB-CE2 4.17Å; V363-F400 HydrophobicContact CG2-CE1 4.24Å; V363-F400 HydrophobicContact CG2-CE2 4.03Å; V363-F400 HydrophobicContact CG2-CZ 3.77Å; V363-F400 PolarHBondContact O-N 3.44Å; F400-Y443 HydrophobicContact CD1-CE1 4.3Å; F400-Y443 HydrophobicContact CE1-CD1 4.03Å; F400-Y443 AromaticContact CE1-CE1 3.52Å; F400-Y443 HydrophobicContact CE1-CE1 3.52Å; F400-Y443 HydrophobicContact CZ-CD1 4.43Å; F400-Y443 HydrophobicContact CZ-CE1 4.32Å
401	F	98.4	Very high	95.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.9	-178.7	-65.5	-97.6	0	0	0	110.6	Y143 I161 L236 I238 L243 P244 A364 R365 Y366	Y143-F401 AromaticContact CE1-CZ 4Å; Y143-F401 HydrophobicContact CE1-CZ 4Å; I161-F401 HydrophobicContact CG2-CE1 3.84Å; I161-F401 HydrophobicContact CG2-CZ 4.14Å; L236-F401 HydrophobicContact CD2-CD2 4.44Å; L236-F401 HydrophobicContact CD2-CE2 3.73Å; I238-F401 HydrophobicContact CD1-CD1 4.19Å; I238-F401 HydrophobicContact CD1-CE1 3.47Å; I238-F401 VanDerWaalsContact CD1-CE1 3.47Å; I238-F401 HydrophobicContact CD1-CE2 4.08Å; I238-F401 HydrophobicContact CD1-CZ 3.42Å; I238-F401 VanDerWaalsContact CD1-CZ 3.42Å; I238-F401 HydrophobicContact CG1-CE1 4.24Å; I238-F401 HydrophobicContact CG1-CZ 4.26Å; L243-F401 CarbonylContact O-C 3.38Å; L243-F401 VanDerWaalsContact O-CA 3.3Å; L243-F401 WeakPolarHBondContact O-CA 3.48Å; P244-F401 HydrophobicContact CB-CD1 4.08Å; P244-F401 HydrophobicContact CB-CE1 3.77Å; P244-F401 HydrophobicContact CB-CZ 4.37Å; A364-F401 PolarHBondContact O-N 2.92Å; R365-F401 CarbonylContact C-O 3.59Å; R365-F401 WeakPolarHBondContact CA-O 3.33Å; Y366-F401 PolarHBondContact N-O 3Å
402	V	97.9	Very high	95.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.1	176.5	55.5	0	0	0	0	111	E242 L243 L245 Y366 L386 F394 F405 L417	E242-V402 VanDerWaalsContact CA-O 3.32Å; E242-V402 WeakPolarHBondContact CA-O 3.42Å; L243-V402 HydrophobicContact CB-CG1 4.26Å; L243-V402 PolarHBondContact N-O 3.26Å; L243-V402 WeakPolarHBondContact O-CG1 3.45Å; L243-V402 PolarHBondContact O-N 3.49Å; L245-V402 HydrophobicContact CD1-CB 3.98Å; L245-V402 HydrophobicContact CD2-CB 4.05Å; L245-V402 HydrophobicContact CD2-CG1 3.73Å; L245-V402 HydrophobicContact CG-CB 3.88Å; L245-V402 HydrophobicContact CG-CG1 3.9Å; Y366-V402 HydrophobicContact CD1-CB 4.47Å; Y366-V402 HydrophobicContact CD1-CG2 3.76Å; L386-V402 HydrophobicContact CD1-CG2 3.1Å; F394-V402 HydrophobicContact CD1-CG2 4.32Å; F394-V402 HydrophobicContact CE1-CG2 3.82Å; F394-V402 HydrophobicContact CZ-CG2 4.24Å; V402-F405 HydrophobicContact CG1-CE2 3.87Å; V402-F405 HydrophobicContact CG1-CZ 4.32Å; V402-L417 HydrophobicContact CG1-CD2 3.51Å
403	N	96.8	Very high	95.1	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.7	-178.1	-176.5	-97.5	0	0	0	110.2	E242 Y366 K367	E242-N403 HydrophobicContact CG-CB 3.89Å; E242-N403 WeakPolarHBondContact CG-ND2 3.38Å; Y366-N403 PolarHBondContact O-N 2.93Å; K367-N403 HydrophobicContact CD-CB 4.44Å; K367-N403 HydrophobicContact CG-CB 3.75Å
404	K	94.5	Very high	95	Very high	30 Å²	30	25.7 Å²	25.7	13%	0.13	14%	0.138	C	C	.	.			cis	-131.4	150.2	1.2	62.7	-166.1	-178.7	-167.3	0	112.1	K241 V380 I383 I385 L386	K241-K404 HydrophobicContact CB-CB 4.3Å; V380-K404 PolarHBondContact O-NZ 3.28Å; I383-K404 HydrophobicContact CD1-CD 4.42Å; I383-K404 HydrophobicContact CG2-CD 4.16Å; I383-K404 HydrophobicContact CG2-CG 4.13Å; I385-K404 HydrophobicContact CD1-CD 3.97Å; I385-K404 HydrophobicContact CD1-CG 3.65Å; L386-K404 PolarHBondContact N-O 2.94Å
405	F	94.4	Very high	94.9	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	14%	0.138	C	C	.	.			trans	-102.9	154.2	168.9	-61.4	-89.5	0	0	0	109.8	W153 K241 L243 L386 F394 V402 A413 Y414 L417	W153-F405 HydrophobicContact CH2-CB 3.52Å; W153-F405 HydrophobicContact CZ3-CB 3.37Å; K241-F405 PolarHBondContact O-N 2.71Å; L243-F405 HydrophobicContact CB-CE2 4.12Å; L243-F405 HydrophobicContact CD1-CD2 4.41Å; L243-F405 HydrophobicContact CD1-CE2 4Å; L243-F405 HydrophobicContact CD1-CZ 4.34Å; L243-F405 HydrophobicContact CG-CE2 4.31Å; L386-F405 HydrophobicContact CB-CD1 4.08Å; L386-F405 HydrophobicContact CB-CE1 3.88Å; L386-F405 HydrophobicContact CB-CZ 4.27Å; L386-F405 HydrophobicContact CD1-CE2 4.36Å; L386-F405 HydrophobicContact CD1-CZ 4.32Å; F394-F405 HydrophobicContact CE2-CE1 4.3Å; F394-F405 AromaticContact CE2-CZ 3.9Å; F394-F405 HydrophobicContact CE2-CZ 3.9Å; F394-F405 HydrophobicContact CZ-CE1 4.45Å; F394-F405 HydrophobicContact CZ-CZ 4.05Å; V402-F405 HydrophobicContact CG1-CE2 3.87Å; V402-F405 HydrophobicContact CG1-CZ 4.32Å; F405-A413 HydrophobicContact CE1-CB 4.24Å; F405-Y414 HydrophobicContact CB-CD2 3.89Å; F405-Y414 HydrophobicContact CD1-CD2 4.35Å; F405-Y414 HydrophobicContact CD2-CD2 4.1Å; F405-Y414 AromaticContact CG-CD2 3.89Å; F405-Y414 HydrophobicContact CG-CD2 3.89Å; F405-L417 HydrophobicContact CE2-CD2 4Å; F405-L417 HydrophobicContact CZ-CD2 3.74Å
406	N	92.3	Very high	94.9	Very high	31 Å²	31	23.4 Å²	23.4	17%	0.166	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-126.4	138.5	175.1	-78	-7	0	0	0	110.1	W153 I385 F409	W153-N406 WeakPolarHBondContact CH2-O 3.46Å; I385-N406 WeakPolarHBondContact CD1-ND2 3.49Å; I385-N406 HydrophobicContact CG2-CB 3.98Å; N406-F409 HydrophobicContact CB-CB 4.39Å; N406-F409 PolarHBondContact O-N 3.03Å
407	N	88.9	Confident	95	Very high	88 Å²	88	17.5 Å²	17.5	47%	0.471	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	139.5	172.2	-173.2	-18.2	0	0	0	110.4	D150 W153 F409 E411	D150-N407 PolarHBondContact OD2-ND2 2.87Å; W153-N407 HydrophobicContact CZ2-CB 4.09Å; N407-F409 VanDerWaalsContact C-N 3.29Å; N407-F409 PolarHBondContact O-N 3.42Å; N407-E411 PolarHBondContact OD1-OE1 2.76Å
408	G	90	Very high	95	Very high	46 Å²	46	13.5 Å²	13.5	47%	0.474	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	13.9	-177.1	0	0	0	0	0	114.9	E411	G408-E411 WeakPolarHBondContact CA-OE1 3.39Å; G408-E411 PolarHBondContact N-OE1 2.92Å
409	F	94	Very high	94.9	Very high	7 Å²	7	13 Å²	13	3%	0.031	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-143	115.3	179.3	-178.2	-99.9	0	0	0	111.5	E101 S376 R378 I385 N406 N407 E411	E101-F409 HydrophobicContact CG-CD2 3.94Å; E101-F409 HydrophobicContact CG-CE2 3.61Å; S376-F409 WeakPolarHBondContact O-CZ 3.48Å; R378-F409 HydrophobicContact CB-CE1 3.69Å; R378-F409 HydrophobicContact CB-CE2 3.83Å; R378-F409 HydrophobicContact CB-CZ 3.22Å; R378-F409 HydrophobicContact CG-CE1 4.33Å; R378-F409 HydrophobicContact CG-CE2 4.36Å; R378-F409 HydrophobicContact CG-CZ 4.06Å; R378-F409 VanDerWaalsContact NH1-CB 3.28Å; I385-F409 HydrophobicContact CB-CD1 4.05Å; I385-F409 HydrophobicContact CB-CE1 3.74Å; I385-F409 HydrophobicContact CG2-CD1 3.32Å; I385-F409 HydrophobicContact CG2-CE1 3.52Å; I385-F409 HydrophobicContact CG2-CG 4.45Å; N406-F409 HydrophobicContact CB-CB 4.39Å; N406-F409 PolarHBondContact O-N 3.03Å; N407-F409 VanDerWaalsContact C-N 3.29Å; N407-F409 PolarHBondContact O-N 3.42Å; F409-E411 VanDerWaalsContact C-N 3.26Å; F409-E411 PolarHBondContact O-N 2.01Å
410	H	94.4	Very high	94.8	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.08	C	C	.	.	S	Bend	trans	47.4	46.3	-174.8	-75.6	-74.4	0	0	0	113.5	A97 F100 E101 G387 Q389 F412 A413	A97-H410 PolarHBondContact O-CE1 2.87Å; F100-H410 WeakPolarHBondContact O-CA 3.45Å; F100-H410 PolarHBondContact O-ND1 3.07Å; E101-H410 PolarHBondContact O-N 2.86Å; G387-H410 VanDerWaalsContact CA-CB 3.46Å; Q389-H410 PolarHBondContact NE2-CE1 2.85Å; Q389-H410 VanDerWaalsContact NE2-CE1 3.34Å; Q389-H410 PolarHBondContact NE2-NE2 3.03Å; H410-F412 PolarHBondContact O-N 3.37Å; H410-A413 HydrophobicContact CB-CB 4.28Å; H410-A413 VanDerWaalsContact O-CB 3.29Å; H410-A413 WeakPolarHBondContact O-CB 2.83Å; H410-A413 PolarHBondContact O-N 2.9Å
411	E	93.4	Very high	94.7	Very high	23 Å²	23	14.3 Å²	14.3	11%	0.107	8%	0.08	C	C	.	.	H	α-helix	trans	-57.3	-32.8	178.5	-65.1	-171.3	167.5	0	0	112.2	T105 N407 G408 F409 A413 Y414 D415	T105-E411 HydrophobicContact CG2-CB 4.04Å; N407-E411 PolarHBondContact OD1-OE1 2.76Å; G408-E411 WeakPolarHBondContact CA-OE1 3.39Å; G408-E411 PolarHBondContact N-OE1 2.92Å; F409-E411 VanDerWaalsContact C-N 3.26Å; F409-E411 PolarHBondContact O-N 2.01Å; E411-A413 PolarHBondContact O-N 3.2Å; E411-Y414 WeakPolarHBondContact O-CA 3.45Å; E411-Y414 VanDerWaalsContact O-CB 3.28Å; E411-Y414 WeakPolarHBondContact O-CB 3.33Å; E411-Y414 PolarHBondContact O-N 3.49Å; E411-D415 PolarHBondContact O-N 3.34Å
412	F	94.9	Very high	94.6	Very high	1 Å²	1	14.3 Å²	14.3	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-56.8	-33	173.5	-160.6	-108.7	0	0	0	113.8	M75 S79 T82 F86 F100 Y103 T105 I388 H410 D415 C416	M75-F412 HydrophobicContact SD-CE2 4.21Å; S79-F412 WeakPolarHBondContact O-CZ 3.07Å; T82-F412 HydrophobicContact CG2-CE1 3.72Å; T82-F412 HydrophobicContact CG2-CZ 3.94Å; F86-F412 HydrophobicContact CD2-CD1 4.24Å; F86-F412 AromaticContact CD2-CE1 3.98Å; F86-F412 HydrophobicContact CD2-CE1 3.98Å; F86-F412 HydrophobicContact CE2-CD1 4.09Å; F86-F412 AromaticContact CE2-CE1 3.86Å; F86-F412 HydrophobicContact CE2-CE1 3.86Å; F100-F412 HydrophobicContact CD1-CB 3.67Å; F100-F412 AromaticContact CD1-CD1 3.52Å; F100-F412 HydrophobicContact CD1-CD1 3.52Å; F100-F412 HydrophobicContact CD1-CD2 4.27Å; F100-F412 HydrophobicContact CD1-CE1 4.22Å; F100-F412 AromaticContact CD1-CG 3.55Å; F100-F412 HydrophobicContact CD1-CG 3.55Å; F100-F412 HydrophobicContact CE1-CB 4.2Å; F100-F412 AromaticContact CE1-CD1 3.42Å; F100-F412 HydrophobicContact CE1-CD1 3.42Å; F100-F412 VanDerWaalsContact CE1-CD1 3.42Å; F100-F412 AromaticContact CE1-CD2 3.93Å; F100-F412 HydrophobicContact CE1-CD2 3.93Å; F100-F412 AromaticContact CE1-CE1 3.65Å; F100-F412 HydrophobicContact CE1-CE1 3.65Å; F100-F412 HydrophobicContact CE1-CE2 4.13Å; F100-F412 AromaticContact CE1-CG 3.57Å; F100-F412 HydrophobicContact CE1-CG 3.57Å; F100-F412 HydrophobicContact CE1-CZ 4Å; F100-F412 HydrophobicContact CG-CD1 4.39Å; F100-F412 HydrophobicContact CZ-CD1 4.23Å; F100-F412 HydrophobicContact CZ-CE1 4.11Å; F100-F412 HydrophobicContact CZ-CZ 4.49Å; Y103-F412 HydrophobicContact CD1-CB 4.27Å; Y103-F412 HydrophobicContact CD1-CD2 4.05Å; Y103-F412 HydrophobicContact CD1-CG 4.39Å; Y103-F412 AromaticContact CE1-CD2 3.89Å; Y103-F412 HydrophobicContact CE1-CD2 3.89Å; Y103-F412 HydrophobicContact CE1-CE2 4.31Å; T105-F412 VanDerWaalsContact CG2-CA 3.5Å; T105-F412 HydrophobicContact CG2-CB 3.83Å; T105-F412 HydrophobicContact CG2-CD2 3.77Å; T105-F412 HydrophobicContact CG2-CG 4.32Å; I388-F412 HydrophobicContact CG2-CB 4.26Å; I388-F412 HydrophobicContact CG2-CD1 4Å; H410-F412 PolarHBondContact O-N 3.37Å; F412-D415 PolarHBondContact O-N 2.91Å; F412-C416 WeakPolarHBondContact CE1-SG 3.41Å; F412-C416 WeakPolarHBondContact O-CB 3.3Å; F412-C416 PolarHBondContact O-N 2.89Å; F412-C416 PolarHBondContact O-SG 3.25Å
413	A	95.6	Very high	94.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.9	-37.6	175.4	0	0	0	0	0	112.1	I388 L391 F405 H410 E411 D415 L417	I388-A413 HydrophobicContact CG2-CB 3.99Å; L391-A413 HydrophobicContact CD2-CB 4.48Å; L391-A413 WeakPolarHBondContact CD2-O 3.49Å; L391-A413 HydrophobicContact CG-CB 4.49Å; F405-A413 HydrophobicContact CE1-CB 4.24Å; H410-A413 HydrophobicContact CB-CB 4.28Å; H410-A413 VanDerWaalsContact O-CB 3.29Å; H410-A413 WeakPolarHBondContact O-CB 2.83Å; H410-A413 PolarHBondContact O-N 2.9Å; E411-A413 PolarHBondContact O-N 3.2Å; A413-D415 VanDerWaalsContact C-N 3.32Å; A413-L417 WeakPolarHBondContact O-CB 3.38Å; A413-L417 PolarHBondContact O-N 3.27Å; A413-L417 VanDerWaalsContact O-N 3.13Å
414	Y	94.6	Very high	94.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-44.2	174.3	-167.8	-69.7	0	0	0	109.8	W153 R156 L243 F405 E411 L417 E418	W153-Y414 HydrophobicContact CD2-CD2 4.32Å; W153-Y414 AromaticContact CD2-CE2 3.93Å; W153-Y414 HydrophobicContact CD2-CE2 3.93Å; W153-Y414 AromaticContact CE3-CD2 3.89Å; W153-Y414 HydrophobicContact CE3-CD2 3.89Å; W153-Y414 AromaticContact CE3-CE2 3.46Å; W153-Y414 HydrophobicContact CE3-CE2 3.46Å; W153-Y414 VanDerWaalsContact CE3-CE2 3.46Å; W153-Y414 AromaticContact CH2-CD2 3.7Å; W153-Y414 HydrophobicContact CH2-CD2 3.7Å; W153-Y414 HydrophobicContact CH2-CE2 4.17Å; W153-Y414 HydrophobicContact CH2-CG 4.5Å; W153-Y414 HydrophobicContact CZ2-CD2 4.14Å; W153-Y414 AromaticContact CZ3-CD2 3.6Å; W153-Y414 HydrophobicContact CZ3-CD2 3.6Å; W153-Y414 AromaticContact CZ3-CE2 3.63Å; W153-Y414 HydrophobicContact CZ3-CE2 3.63Å; W153-Y414 PolarHBondContact O-OH 3.11Å; R156-Y414 HydrophobicContact CB-CE1 4.1Å; R156-Y414 VanDerWaalsContact NH1-CD1 3.26Å; R156-Y414 VanDerWaalsContact NH2-CD1 3.3Å; L243-Y414 HydrophobicContact CD1-CD1 3.64Å; L243-Y414 HydrophobicContact CD1-CD2 3.56Å; L243-Y414 HydrophobicContact CD1-CE1 3.7Å; L243-Y414 HydrophobicContact CD1-CE2 3.61Å; L243-Y414 HydrophobicContact CD1-CG 3.58Å; L243-Y414 HydrophobicContact CD2-CD1 4.48Å; L243-Y414 HydrophobicContact CD2-CE1 3.71Å; L243-Y414 HydrophobicContact CD2-CE2 3.99Å; L243-Y414 VanDerWaalsContact CD2-CZ 3.43Å; L243-Y414 WeakPolarHBondContact CD2-OH 3.35Å; L243-Y414 HydrophobicContact CG-CD1 4.43Å; L243-Y414 HydrophobicContact CG-CD2 4.03Å; L243-Y414 HydrophobicContact CG-CE1 4.01Å; L243-Y414 HydrophobicContact CG-CE2 3.56Å; L243-Y414 HydrophobicContact CG-CG 4.45Å; F405-Y414 HydrophobicContact CB-CD2 3.89Å; F405-Y414 HydrophobicContact CD1-CD2 4.35Å; F405-Y414 HydrophobicContact CD2-CD2 4.1Å; F405-Y414 AromaticContact CG-CD2 3.89Å; F405-Y414 HydrophobicContact CG-CD2 3.89Å; E411-Y414 WeakPolarHBondContact O-CA 3.45Å; E411-Y414 VanDerWaalsContact O-CB 3.28Å; E411-Y414 WeakPolarHBondContact O-CB 3.33Å; E411-Y414 PolarHBondContact O-N 3.49Å; Y414-L417 PolarHBondContact O-N 2.81Å; Y414-E418 PolarHBondContact O-N 3.14Å
415	D	94.5	Very high	94.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.2	-40.7	-177.6	-63.8	2.2	0	0	0	113.4	N74 M75 T105 R109 R156 E411 F412 A413 L417 E418 Y419	N74-D415 PolarHBondContact ND2-O 3.49Å; N74-D415 VanDerWaalsContact ND2-O 3.15Å; M75-D415 HydrophobicContact CG-CB 4.33Å; M75-D415 HydrophobicContact SD-CB 3.49Å; M75-D415 WeakPolarHBondContact SD-CB 3.36Å; T105-D415 WeakPolarHBondContact CB-OD2 3.35Å; T105-D415 VanDerWaalsContact CG2-OD2 3.25Å; T105-D415 WeakPolarHBondContact CG2-OD2 3.45Å; T105-D415 PolarHBondContact OG1-OD2 3.29Å; R109-D415 WeakPolarHBondContact CD-OD2 3.42Å; R109-D415 WeakPolarHBondContact CG-OD2 3.47Å; R109-D415 IonicContact NE-OD2 3.36Å; R156-D415 IonicContact CZ-OD1 3.55Å; R156-D415 IonicContact NH1-OD1 3.91Å; R156-D415 PolarHBondContact NH1-OD1 3.05Å; R156-D415 IonicContact NH2-OD1 3.6Å; R156-D415 PolarHBondContact NH2-OD1 2.65Å; E411-D415 PolarHBondContact O-N 3.34Å; F412-D415 PolarHBondContact O-N 2.91Å; A413-D415 VanDerWaalsContact C-N 3.32Å; D415-L417 VanDerWaalsContact C-N 3.32Å; D415-E418 PolarHBondContact O-N 3.41Å; D415-Y419 WeakPolarHBondContact O-CB 3.39Å; D415-Y419 PolarHBondContact O-N 3.42Å
416	C	95.8	Very high	94.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-37.2	173.3	-65.3	0	0	0	0	112	C83 L391 F412 Y419 W420	C83-C416 WeakPolarHBondContact CA-SG 3.26Å; C83-C416 HydrophobicContact CB-CB 3.66Å; C83-C416 WeakPolarHBondContact CB-SG 3.42Å; C83-C416 WeakPolarHBondContact SG-CA 3.42Å; C83-C416 WeakPolarHBondContact SG-CB 3.32Å; C83-C416 CovalentContact SG-SG 2.03Å; C83-C416 PolarHBondContact SG-SG 3.11Å; L391-C416 HydrophobicContact CD1-CB 3.72Å; L391-C416 HydrophobicContact CD2-CB 3.67Å; L391-C416 HydrophobicContact CG-CB 4.37Å; F412-C416 WeakPolarHBondContact CE1-SG 3.41Å; F412-C416 WeakPolarHBondContact O-CB 3.3Å; F412-C416 PolarHBondContact O-N 2.89Å; F412-C416 PolarHBondContact O-SG 3.25Å; C416-Y419 PolarHBondContact O-N 3.24Å; C416-W420 WeakPolarHBondContact O-CB 3.44Å; C416-W420 PolarHBondContact O-N 3.44Å
417	L	96.2	Very high	94.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69.1	-41.4	176.3	-179.6	57	0	0	0	111.4	L243 L245 F394 V402 F405 A413 Y414 D415 W420 I421	L243-L417 HydrophobicContact CB-CD2 3.61Å; L243-L417 HydrophobicContact CB-CG 4.3Å; L243-L417 HydrophobicContact CD1-CB 4.02Å; L243-L417 HydrophobicContact CD1-CD2 3.68Å; L243-L417 HydrophobicContact CD1-CG 3.95Å; L243-L417 HydrophobicContact CG-CD2 4.33Å; L245-L417 HydrophobicContact CD2-CD1 4.03Å; L245-L417 HydrophobicContact CD2-CD2 4.33Å; F394-L417 HydrophobicContact CB-CD1 4.49Å; F394-L417 HydrophobicContact CD2-CD1 4.25Å; F394-L417 HydrophobicContact CD2-CD2 4.13Å; F394-L417 HydrophobicContact CE2-CD2 4.31Å; V402-L417 HydrophobicContact CG1-CD2 3.51Å; F405-L417 HydrophobicContact CE2-CD2 4Å; F405-L417 HydrophobicContact CZ-CD2 3.74Å; A413-L417 WeakPolarHBondContact O-CB 3.38Å; A413-L417 PolarHBondContact O-N 3.27Å; A413-L417 VanDerWaalsContact O-N 3.13Å; Y414-L417 PolarHBondContact O-N 2.81Å; D415-L417 VanDerWaalsContact C-N 3.32Å; L417-W420 HydrophobicContact CD1-CE3 3.67Å; L417-W420 HydrophobicContact CD1-CZ3 4.17Å; L417-W420 PolarHBondContact O-N 3.18Å; L417-I421 HydrophobicContact CD1-CG1 4.44Å; L417-I421 WeakPolarHBondContact O-CG1 3.34Å; L417-I421 PolarHBondContact O-N 3.5Å
418	E	95.7	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.5	-48	171.9	174.9	170.5	-120.8	0	0	111.7	N74 R156 R159 L160 Y414 D415 W420 I421 L422	N74-E418 PolarHBondContact ND2-OE2 3.01Å; N74-E418 VanDerWaalsContact ND2-OE2 3.12Å; R156-E418 IonicContact CZ-OE2 2.83Å; R156-E418 IonicContact NE-OE1 3.4Å; R156-E418 IonicContact NE-OE2 2.8Å; R156-E418 PolarHBondContact NE-OE2 3.29Å; R156-E418 IonicContact NH2-OE2 3.62Å; R156-E418 PolarHBondContact NH2-OE2 2.75Å; R159-E418 IonicContact CZ-OE1 3.65Å; R159-E418 IonicContact NE-OE1 2.91Å; R159-E418 PolarHBondContact NE-OE1 2.86Å; R159-E418 IonicContact NH2-OE1 3.58Å; R159-E418 PolarHBondContact NH2-OE1 3.26Å; R159-E418 IonicContact NH2-OE2 2.62Å; R159-E418 PolarHBondContact NH2-OE2 3.06Å; L160-E418 HydrophobicContact CD1-CB 4.09Å; L160-E418 HydrophobicContact CD1-CG 3.97Å; L160-E418 HydrophobicContact CD2-CG 3.81Å; L160-E418 HydrophobicContact CG-CG 4.25Å; Y414-E418 PolarHBondContact O-N 3.14Å; D415-E418 PolarHBondContact O-N 3.41Å; E418-W420 VanDerWaalsContact C-N 3.3Å; E418-W420 PolarHBondContact O-N 3Å; E418-I421 PolarHBondContact O-N 3.3Å; E418-L422 HydrophobicContact CG-CD1 3.98Å; E418-L422 HydrophobicContact CG-CG 4.4Å; E418-L422 WeakPolarHBondContact O-CG 3.3Å; E418-L422 PolarHBondContact O-N 2.5Å
419	Y	95.3	Very high	94.9	Very high	27 Å²	27	20.5 Å²	20.5	11%	0.106	9%	0.09	C	C	.	.	H	α-helix	trans	-54.5	-47.2	175	167.7	-106.3	0	0	0	111.4	N74 M75 I80 C83 E84 L87 D415 C416 I421 L422 K423	N74-Y419 WeakPolarHBondContact OD1-CB 3.36Å; M75-Y419 HydrophobicContact CE-CG 4.31Å; I80-Y419 HydrophobicContact CB-CE2 4.5Å; I80-Y419 HydrophobicContact CD1-CD2 4.43Å; I80-Y419 HydrophobicContact CD1-CE2 4.11Å; I80-Y419 HydrophobicContact CG1-CD2 4.13Å; I80-Y419 HydrophobicContact CG1-CE2 4Å; I80-Y419 HydrophobicContact CG2-CE1 4.13Å; I80-Y419 HydrophobicContact CG2-CE2 3.79Å; I80-Y419 WeakPolarHBondContact CG2-OH 3.41Å; C83-Y419 HydrophobicContact CB-CD1 4.19Å; E84-Y419 HydrophobicContact CG-CE1 4.1Å; E84-Y419 WeakPolarHBondContact OE1-CE1 3.41Å; E84-Y419 VanDerWaalsContact OE1-CZ 3.27Å; E84-Y419 PolarHBondContact OE1-OH 2.91Å; L87-Y419 HydrophobicContact CD1-CD1 4.34Å; D415-Y419 WeakPolarHBondContact O-CB 3.39Å; D415-Y419 PolarHBondContact O-N 3.42Å; C416-Y419 PolarHBondContact O-N 3.24Å; Y419-I421 PolarHBondContact O-N 3.24Å; Y419-L422 PolarHBondContact O-N 3.22Å; Y419-K423 HydrophobicContact CE1-CD 4.28Å; Y419-K423 WeakPolarHBondContact O-CB 3.46Å; Y419-K423 PolarHBondContact O-N 2.72Å
420	W	95.8	Very high	95	Very high	35 Å²	35	25.3 Å²	25.3	13%	0.133	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-44.7	-179.8	-177.4	64.4	0	0	0	112.2	L87 T395 C416 L417 E418 K423 K424	L87-W420 HydrophobicContact CD1-CB 3.84Å; L87-W420 HydrophobicContact CD1-CG 4.15Å; L87-W420 HydrophobicContact CD2-CB 4.12Å; L87-W420 HydrophobicContact CD2-CG 4.08Å; T395-W420 HydrophobicContact CG2-CZ2 4.1Å; C416-W420 WeakPolarHBondContact O-CB 3.44Å; C416-W420 PolarHBondContact O-N 3.44Å; L417-W420 HydrophobicContact CD1-CE3 3.67Å; L417-W420 HydrophobicContact CD1-CZ3 4.17Å; L417-W420 PolarHBondContact O-N 3.18Å; E418-W420 VanDerWaalsContact C-N 3.3Å; E418-W420 PolarHBondContact O-N 3Å; W420-K423 PolarHBondContact O-N 3.18Å; W420-K424 HydrophobicContact CD2-CD 4.04Å; W420-K424 HydrophobicContact CE3-CD 4.29Å; W420-K424 HydrophobicContact CH2-CD 4.14Å; W420-K424 HydrophobicContact CZ2-CD 3.81Å; W420-K424 HydrophobicContact CZ3-CD 4.35Å; W420-K424 WeakPolarHBondContact O-CG 3.24Å; W420-K424 PolarHBondContact O-N 3.4Å
421	I	96.3	Very high	95	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-43.9	177.1	-65.2	-64.2	0	0	0	111.4	L160 P244 L417 E418 Y419 K423 K424 M425	L160-I421 HydrophobicContact CD2-CB 4.26Å; L160-I421 HydrophobicContact CD2-CG2 3.98Å; P244-I421 HydrophobicContact CG-CG1 4.4Å; P244-I421 HydrophobicContact CG-CG2 4.4Å; P244-I421 WeakPolarHBondContact O-CD1 3.49Å; P244-I421 WeakPolarHBondContact O-CG1 3.37Å; L417-I421 HydrophobicContact CD1-CG1 4.44Å; L417-I421 WeakPolarHBondContact O-CG1 3.34Å; L417-I421 PolarHBondContact O-N 3.5Å; E418-I421 PolarHBondContact O-N 3.3Å; Y419-I421 PolarHBondContact O-N 3.24Å; I421-K423 VanDerWaalsContact C-N 3.32Å; I421-K423 PolarHBondContact O-N 2.85Å; I421-K424 PolarHBondContact O-N 2.94Å; I421-M425 HydrophobicContact CG2-SD 4.13Å; I421-M425 WeakPolarHBondContact O-CG 3.39Å; I421-M425 PolarHBondContact O-N 2.65Å
422	L	95.2	Very high	95.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-40.8	175.9	-69	174.3	0	0	0	111.9	N74 L125 I126 L160 E418 Y419 M425 R426	N74-L422 HydrophobicContact CB-CD1 4.07Å; L125-L422 HydrophobicContact CB-CD1 4.3Å; L125-L422 HydrophobicContact CD1-CD1 4.43Å; L125-L422 HydrophobicContact CD2-CD1 4.39Å; L125-L422 WeakPolarHBondContact O-CD2 3.48Å; I126-L422 HydrophobicContact CG2-CD2 3.81Å; L160-L422 HydrophobicContact CD2-CD2 3.83Å; L160-L422 HydrophobicContact CD2-CG 3.86Å; E418-L422 HydrophobicContact CG-CD1 3.98Å; E418-L422 HydrophobicContact CG-CG 4.4Å; E418-L422 WeakPolarHBondContact O-CG 3.3Å; E418-L422 PolarHBondContact O-N 2.5Å; Y419-L422 PolarHBondContact O-N 3.22Å; L422-M425 PolarHBondContact O-N 3.42Å; L422-R426 PolarHBondContact O-N 3.14Å
423	K	94.1	Very high	95.2	Very high	71 Å²	71	34.8 Å²	34.8	31%	0.309	18%	0.177	S	C	.	.	H	α-helix	trans	-60.6	-45	174.7	179.7	-178.6	175.9	179.6	0	111.2	E84 Y419 W420 I421 R426 Q427	E84-K423 WeakPolarHBondContact OE1-CD 3.11Å; E84-K423 IonicContact OE1-NZ 3.76Å; E84-K423 PolarHBondContact OE1-NZ 3.42Å; E84-K423 IonicContact OE2-NZ 3.92Å; E84-K423 PolarHBondContact OE2-NZ 2.98Å; Y419-K423 HydrophobicContact CE1-CD 4.28Å; Y419-K423 WeakPolarHBondContact O-CB 3.46Å; Y419-K423 PolarHBondContact O-N 2.72Å; W420-K423 PolarHBondContact O-N 3.18Å; I421-K423 VanDerWaalsContact C-N 3.32Å; I421-K423 PolarHBondContact O-N 2.85Å; K423-R426 PolarHBondContact O-N 3.03Å; K423-Q427 WeakPolarHBondContact O-CG 3.36Å; K423-Q427 PolarHBondContact O-N 3Å
424	K	95.1	Very high	95.3	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.087	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-47.5	177.1	-70.5	177.1	72.4	-178.7	0	112	T247 E250 W420 I421 R426 Q427 E428	T247-K424 HydrophobicContact CG2-CB 3.54Å; T247-K424 HydrophobicContact CG2-CD 4.48Å; E250-K424 WeakPolarHBondContact OE1-CE 3.43Å; E250-K424 IonicContact OE1-NZ 2.68Å; E250-K424 PolarHBondContact OE1-NZ 3.28Å; E250-K424 WeakPolarHBondContact OE2-CE 3.18Å; E250-K424 IonicContact OE2-NZ 3.67Å; E250-K424 PolarHBondContact OE2-NZ 2.78Å; W420-K424 HydrophobicContact CD2-CD 4.04Å; W420-K424 HydrophobicContact CE3-CD 4.29Å; W420-K424 HydrophobicContact CH2-CD 4.14Å; W420-K424 HydrophobicContact CZ2-CD 3.81Å; W420-K424 HydrophobicContact CZ3-CD 4.35Å; W420-K424 WeakPolarHBondContact O-CG 3.24Å; W420-K424 PolarHBondContact O-N 3.4Å; I421-K424 PolarHBondContact O-N 2.94Å; K424-R426 VanDerWaalsContact C-N 3.29Å; K424-R426 PolarHBondContact O-N 3.13Å; K424-Q427 PolarHBondContact O-N 2.03Å; K424-E428 WeakPolarHBondContact O-CG 3.1Å; K424-E428 PolarHBondContact O-N 2.99Å
425	M	95.1	Very high	95.3	Very high	17 Å²	17	40.2 Å²	40.2	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-56.4	-43.4	176.6	-71.4	173.6	48.3	0	0	112	I126 R163 T247 I421 L422 E428 H429	I126-M425 HydrophobicContact CB-CE 4.25Å; I126-M425 HydrophobicContact CG2-CE 4.08Å; R163-M425 VanDerWaalsContact NH2-CE 3.28Å; R163-M425 PolarHBondContact NH2-SD 2.87Å; R163-M425 VanDerWaalsContact NH2-SD 3.41Å; T247-M425 HydrophobicContact CG2-CG 3.86Å; I421-M425 HydrophobicContact CG2-SD 4.13Å; I421-M425 WeakPolarHBondContact O-CG 3.39Å; I421-M425 PolarHBondContact O-N 2.65Å; L422-M425 PolarHBondContact O-N 3.42Å; M425-E428 PolarHBondContact O-N 3.32Å; M425-H429 PolarHBondContact O-N 2.81Å
426	R	93.3	Very high	95.2	Very high	59 Å²	59	51.4 Å²	51.4	22%	0.223	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-45	174.9	-176.8	-174.9	-172.6	165	2.2	111.9	T69 Y72 L422 K423 K424 H429 L430	T69-R426 PolarHBondContact O-NH1 2.84Å; Y72-R426 HydrophobicContact CD1-CB 3.86Å; Y72-R426 HydrophobicContact CD1-CG 4.28Å; Y72-R426 HydrophobicContact CD2-CB 4.43Å; Y72-R426 HydrophobicContact CD2-CG 4.03Å; Y72-R426 HydrophobicContact CE1-CB 3.72Å; Y72-R426 HydrophobicContact CE1-CG 3.94Å; Y72-R426 HydrophobicContact CE2-CB 4.36Å; Y72-R426 VanDerWaalsContact CE2-CD 3.46Å; Y72-R426 HydrophobicContact CE2-CG 3.72Å; Y72-R426 HydrophobicContact CG-CB 4.18Å; Y72-R426 HydrophobicContact CG-CG 4.28Å; L422-R426 PolarHBondContact O-N 3.14Å; K423-R426 PolarHBondContact O-N 3.03Å; K424-R426 VanDerWaalsContact C-N 3.29Å; K424-R426 PolarHBondContact O-N 3.13Å; R426-H429 PolarHBondContact O-N 3.13Å; R426-L430 HydrophobicContact CG-CD1 3.85Å; R426-L430 HydrophobicContact CG-CG 4.26Å; R426-L430 WeakPolarHBondContact O-CB 3.4Å; R426-L430 VanDerWaalsContact O-CG 3.27Å; R426-L430 WeakPolarHBondContact O-CG 3.45Å; R426-L430 PolarHBondContact O-N 2.88Å
427	Q	94.2	Very high	95.1	Very high	103 Å²	103	60.4 Å²	60.4	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-43.6	179.7	-69	-56.2	-34.9	0	0	111.2	K423 K424 H429 L430 S431	K423-Q427 WeakPolarHBondContact O-CG 3.36Å; K423-Q427 PolarHBondContact O-N 3Å; K424-Q427 PolarHBondContact O-N 2.03Å; Q427-H429 VanDerWaalsContact C-N 3.33Å; Q427-H429 PolarHBondContact O-N 3.27Å; Q427-L430 PolarHBondContact O-N 2.87Å; Q427-S431 WeakPolarHBondContact O-CB 3.4Å; Q427-S431 PolarHBondContact O-N 3.1Å; Q427-S431 PolarHBondContact O-OG 3.48Å
428	E	95.9	Very high	95.1	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-56.3	-44.9	173.7	-73.2	167.2	-179.8	0	0	112.2	W131 T247 W249 K424 M425 G432 L434	W131-E428 HydrophobicContact CZ3-CB 4.26Å; T247-E428 VanDerWaalsContact CB-OE1 3.31Å; T247-E428 WeakPolarHBondContact CB-OE1 3.01Å; T247-E428 VanDerWaalsContact CB-OE2 3.31Å; T247-E428 WeakPolarHBondContact CB-OE2 3.25Å; T247-E428 WeakPolarHBondContact CG2-OE1 3.23Å; T247-E428 VanDerWaalsContact OG1-CD 3.23Å; T247-E428 PolarHBondContact OG1-OE1 3.49Å; T247-E428 PolarHBondContact OG1-OE2 2.89Å; T247-E428 VanDerWaalsContact OG1-OE2 3.11Å; W249-E428 HydrophobicContact CE3-CB 3.92Å; W249-E428 HydrophobicContact CE3-CG 4.02Å; W249-E428 HydrophobicContact CZ3-CB 4.17Å; W249-E428 HydrophobicContact CZ3-CG 4.46Å; K424-E428 WeakPolarHBondContact O-CG 3.1Å; K424-E428 PolarHBondContact O-N 2.99Å; M425-E428 PolarHBondContact O-N 3.32Å; E428-G432 VanDerWaalsContact O-CA 3.32Å; E428-G432 WeakPolarHBondContact O-CA 3.27Å; E428-G432 PolarHBondContact O-N 2.79Å; E428-L434 HydrophobicContact CG-CD2 4.24Å
429	H	94.4	Very high	95.1	Very high	58 Å²	58	64.4 Å²	64.4	27%	0.269	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-46.1	176.7	175.6	42.2	0	0	0	112.2	E127 W131 M425 R426 Q427	E127-H429 IonicContact OE1-CD2 3.49Å; E127-H429 PolarHBondContact OE1-CD2 3.35Å; E127-H429 IonicContact OE1-CG 2.71Å; E127-H429 IonicContact OE2-CD2 3.17Å; E127-H429 PolarHBondContact OE2-CD2 2.81Å; E127-H429 IonicContact OE2-CG 3.11Å; E127-H429 IonicContact OE2-NE2 3.54Å; W131-H429 HydrophobicContact CB-CB 4.47Å; W131-H429 AromaticContact CD1-CE1 3.3Å; W131-H429 AromaticContact CD1-ND1 3Å; W131-H429 HydrophobicContact CD2-CB 3.92Å; W131-H429 AromaticContact CD2-CG 3.91Å; W131-H429 AromaticContact CD2-ND1 3.3Å; W131-H429 VanDerWaalsContact CD2-ND1 3.3Å; W131-H429 AromaticContact CE2-ND1 3.47Å; W131-H429 HydrophobicContact CE3-CB 3.87Å; W131-H429 HydrophobicContact CG-CB 4.22Å; W131-H429 AromaticContact CG-CE1 3.62Å; W131-H429 AromaticContact CG-CG 3.74Å; W131-H429 AromaticContact CG-ND1 2.99Å; W131-H429 HydrophobicContact CZ3-CB 4.4Å; W131-H429 AromaticContact NE1-CE1 3.78Å; W131-H429 AromaticContact NE1-ND1 3.25Å; W131-H429 PolarHBondContact NE1-ND1 3.03Å; M425-H429 PolarHBondContact O-N 2.81Å; R426-H429 PolarHBondContact O-N 3.13Å; Q427-H429 VanDerWaalsContact C-N 3.33Å; Q427-H429 PolarHBondContact O-N 3.27Å
430	L	94.3	Very high	95.1	Very high	108 Å²	108	65.8 Å²	65.8	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-73	-38.8	-176	-68.9	176.7	0	0	0	113.2	R426 Q427	R426-L430 HydrophobicContact CG-CD1 3.85Å; R426-L430 HydrophobicContact CG-CG 4.26Å; R426-L430 WeakPolarHBondContact O-CB 3.4Å; R426-L430 VanDerWaalsContact O-CG 3.27Å; R426-L430 WeakPolarHBondContact O-CG 3.45Å; R426-L430 PolarHBondContact O-N 2.88Å; Q427-L430 PolarHBondContact O-N 2.87Å
431	S	95.6	Very high	95.1	Very high	63 Å²	63	67.8 Å²	67.8	44%	0.441	34%	0.34	S	S	.	.	H	α-helix	trans	-85.7	-29.6	-178.3	68.3	0	0	0	0	112.5	Q427 E433	Q427-S431 WeakPolarHBondContact O-CB 3.4Å; Q427-S431 PolarHBondContact O-N 3.1Å; Q427-S431 PolarHBondContact O-OG 3.48Å; S431-E433 PolarHBondContact O-N 3.11Å; S431-E433 PolarHBondContact OG-N 3.41Å; S431-E433 PolarHBondContact OG-O 3.04Å
432	G	96.1	Very high	95.1	Very high	42 Å²	42	69.5 Å²	69.5	43%	0.433	35%	0.348	S	S	.	.	S	Bend	trans	67.3	21.3	-166.3	0	0	0	0	0	113.1	W249 E428	W249-G432 WeakPolarHBondContact CH2-O 3.16Å; E428-G432 VanDerWaalsContact O-CA 3.32Å; E428-G432 WeakPolarHBondContact O-CA 3.27Å; E428-G432 PolarHBondContact O-N 2.79Å
433	E	96.6	Very high	95.3	Very high	118 Å²	118	69.6 Å²	69.6	55%	0.551	35%	0.348	S	S	*	.	S	Bend	trans	-138.5	146.4	-177.9	-64.1	-177.9	175.9	0	0	111	S431	S431-E433 PolarHBondContact O-N 3.11Å; S431-E433 PolarHBondContact OG-N 3.41Å; S431-E433 PolarHBondContact OG-O 3.04Å
434	L	97	Very high	95.4	Very high	36 Å²	36	68.8 Å²	68.8	19%	0.188	35%	0.351	C	S	.	.			trans	-68.1	157.3	168.8	-69.7	179	0	0	0	111.5	W249 E250 V253 E428 R436 F438	W249-L434 HydrophobicContact CB-CD2 3.9Å; W249-L434 HydrophobicContact CD2-CD2 3.49Å; W249-L434 VanDerWaalsContact CD2-CD2 3.49Å; W249-L434 HydrophobicContact CD2-CG 3.95Å; W249-L434 HydrophobicContact CE3-CD2 3.68Å; W249-L434 HydrophobicContact CE3-CG 4.22Å; W249-L434 HydrophobicContact CG-CD2 3.61Å; W249-L434 HydrophobicContact CG-CG 4.34Å; W249-L434 HydrophobicContact CZ2-CG 4.33Å; W249-L434 HydrophobicContact CZ3-CD2 4.38Å; E250-L434 HydrophobicContact CG-CD2 3.82Å; V253-L434 HydrophobicContact CB-CD1 4.16Å; V253-L434 HydrophobicContact CG1-CD1 4.33Å; V253-L434 HydrophobicContact CG2-CD1 3.79Å; E428-L434 HydrophobicContact CG-CD2 4.24Å; L434-R436 PolarHBondContact O-N 3.33Å; L434-F438 HydrophobicContact CD1-CD1 3.82Å; L434-F438 HydrophobicContact CD1-CE1 4.02Å
435	D	93.8	Very high	95.5	Very high	79 Å²	79	74 Å²	74	42%	0.422	37%	0.374	S	S	.	.			trans	-56.5	132	173	-169.7	-51.1	0	0	0	110.3	K437 F438	D435-K437 PolarHBondContact O-N 2.72Å; D435-K437 VanDerWaalsContact OD1-CB 3.3Å; D435-K437 WeakPolarHBondContact OD1-CB 3.48Å; D435-K437 PolarHBondContact OD1-N 2.65Å; D435-F438 VanDerWaalsContact O-CB 3.27Å; D435-F438 WeakPolarHBondContact O-CB 3.46Å; D435-F438 PolarHBondContact O-N 3.18Å
436	R	93.8	Very high	95.6	Very high	234 Å²	234	73.5 Å²	73.5	88%	0.883	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.6	-179.4	-64.9	-178.4	179.6	175.1	-0.3	113.7	L434	L434-R436 PolarHBondContact O-N 3.33Å
437	K	93	Very high	95.7	Very high	190 Å²	190	72.4 Å²	72.4	83%	0.826	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-16.1	175	-63.4	179.8	178.5	179.7	0	112.8	D435 S439	D435-K437 PolarHBondContact O-N 2.72Å; D435-K437 VanDerWaalsContact OD1-CB 3.3Å; D435-K437 WeakPolarHBondContact OD1-CB 3.48Å; D435-K437 PolarHBondContact OD1-N 2.65Å; K437-S439 PolarHBondContact O-N 3.16Å
438	F	96.4	Very high	95.7	Very high	24 Å²	24	68.3 Å²	68.3	11%	0.105	35%	0.351	C	S	.	.			trans	-72.8	119.9	176.5	-179.5	-95.3	0	0	0	110.4	E250 V253 A254 L434 D435 Y443	E250-F438 HydrophobicContact CB-CD2 3.87Å; E250-F438 HydrophobicContact CB-CE2 3.57Å; E250-F438 HydrophobicContact CB-CZ 3.98Å; E250-F438 HydrophobicContact CG-CD1 4.49Å; E250-F438 HydrophobicContact CG-CD2 3.61Å; E250-F438 HydrophobicContact CG-CE2 3.87Å; E250-F438 HydrophobicContact CG-CG 3.95Å; E250-F438 HydrophobicContact CG-CZ 4.41Å; E250-F438 WeakPolarHBondContact O-CZ 3.29Å; E250-F438 WeakPolarHBondContact OE1-CD2 3.1Å; V253-F438 HydrophobicContact CB-CE1 4.05Å; V253-F438 HydrophobicContact CB-CZ 4.44Å; V253-F438 HydrophobicContact CG1-CE1 3.74Å; V253-F438 HydrophobicContact CG1-CZ 4.44Å; A254-F438 HydrophobicContact CB-CZ 4.14Å; L434-F438 HydrophobicContact CD1-CD1 3.82Å; L434-F438 HydrophobicContact CD1-CE1 4.02Å; D435-F438 VanDerWaalsContact O-CB 3.27Å; D435-F438 WeakPolarHBondContact O-CB 3.46Å; D435-F438 PolarHBondContact O-N 3.18Å; F438-Y443 AromaticContact CE2-CE2 3.61Å; F438-Y443 HydrophobicContact CE2-CE2 3.61Å; F438-Y443 HydrophobicContact CZ-CD2 4.2Å; F438-Y443 AromaticContact CZ-CE2 3.59Å; F438-Y443 HydrophobicContact CZ-CE2 3.59Å
439	S	95.1	Very high	95.7	Very high	59 Å²	59	68.1 Å²	68.1	41%	0.413	35%	0.351	S	S	.	.			trans	-108	99.1	-175.6	-178.6	0	0	0	0	111.8	K437 T441 F442 Y443	K437-S439 PolarHBondContact O-N 3.16Å; S439-T441 PolarHBondContact O-N 3.16Å; S439-F442 WeakPolarHBondContact O-CB 3.5Å; S439-F442 PolarHBondContact O-N 3.1Å; S439-F442 PolarHBondContact OG-N 3.16Å; S439-Y443 WeakPolarHBondContact O-CD2 3.48Å
440	T	95.7	Very high	95.6	Very high	57 Å²	57	69.7 Å²	69.7	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-58.2	-37.4	171.5	-52	0	0	0	0	111.9	V253 A257 F442 Y443 S444	V253-T440 HydrophobicContact CG1-CG2 3.63Å; V253-T440 WeakPolarHBondContact CG1-OG1 3.41Å; A257-T440 HydrophobicContact CB-CG2 3.69Å; T440-F442 PolarHBondContact O-N 3.4Å; T440-Y443 PolarHBondContact O-N 3.2Å; T440-Y443 VanDerWaalsContact O-N 3.13Å; T440-S444 PolarHBondContact O-N 3.49Å
441	T	96.6	Very high	95.5	Very high	76 Å²	76	67 Å²	67	47%	0.466	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-27.2	-179.7	-54.3	0	0	0	0	113.3	S439 S444 K445	S439-T441 PolarHBondContact O-N 3.16Å; T441-S444 PolarHBondContact O-OG 3.33Å; T441-K445 HydrophobicContact CG2-CD 3.98Å; T441-K445 HydrophobicContact CG2-CG 4.48Å; T441-K445 WeakPolarHBondContact O-CB 3.45Å; T441-K445 VanDerWaalsContact O-CG 3.28Å; T441-K445 WeakPolarHBondContact O-CG 3.26Å; T441-K445 PolarHBondContact O-N 3.44Å
442	F	96.6	Very high	95.5	Very high	38 Å²	38	65.7 Å²	65.7	17%	0.167	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-48.7	174.8	168.1	-97.5	0	0	0	110.9	P358 T361 V363 T398 S439 T440 S444 K445 L446	P358-F442 HydrophobicContact CB-CE2 3.98Å; T361-F442 HydrophobicContact CG2-CZ 4.27Å; V363-F442 HydrophobicContact CG1-CE1 3.6Å; V363-F442 HydrophobicContact CG1-CZ 4.02Å; T398-F442 HydrophobicContact CG2-CD1 3.92Å; T398-F442 HydrophobicContact CG2-CD2 4.37Å; T398-F442 HydrophobicContact CG2-CE1 3.75Å; T398-F442 HydrophobicContact CG2-CE2 4.21Å; T398-F442 HydrophobicContact CG2-CG 4.24Å; T398-F442 HydrophobicContact CG2-CZ 3.92Å; T398-F442 WeakPolarHBondContact OG1-CE1 3.49Å; T398-F442 WeakPolarHBondContact OG1-CZ 3.34Å; S439-F442 WeakPolarHBondContact O-CB 3.5Å; S439-F442 PolarHBondContact O-N 3.1Å; S439-F442 PolarHBondContact OG-N 3.16Å; T440-F442 PolarHBondContact O-N 3.4Å; F442-S444 PolarHBondContact O-N 3.13Å; F442-K445 PolarHBondContact O-N 3.02Å; F442-L446 HydrophobicContact CE1-CD2 4.26Å; F442-L446 HydrophobicContact CZ-CD2 4.03Å
443	Y	97.8	Very high	95.4	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-67.1	-36.5	-178.3	-59.6	-75.4	0	0	0	112.5	R246 A254 V363 T398 F400 F438 S439 T440 K445 L446 S449	R246-Y443 PolarHBondContact NE-OH 2.98Å; R246-Y443 PolarHBondContact NH2-OH 2.82Å; A254-Y443 HydrophobicContact CB-CD1 3.85Å; A254-Y443 HydrophobicContact CB-CD2 3.62Å; A254-Y443 HydrophobicContact CB-CE1 3.89Å; A254-Y443 HydrophobicContact CB-CE2 3.65Å; A254-Y443 HydrophobicContact CB-CG 3.72Å; V363-Y443 HydrophobicContact CB-CE1 4.35Å; V363-Y443 HydrophobicContact CG1-CD1 4.43Å; V363-Y443 HydrophobicContact CG1-CE1 4.28Å; T398-Y443 WeakPolarHBondContact O-CE1 3.39Å; T398-Y443 PolarHBondContact O-OH 3.24Å; F400-Y443 HydrophobicContact CD1-CE1 4.3Å; F400-Y443 HydrophobicContact CE1-CD1 4.03Å; F400-Y443 AromaticContact CE1-CE1 3.52Å; F400-Y443 HydrophobicContact CE1-CE1 3.52Å; F400-Y443 HydrophobicContact CZ-CD1 4.43Å; F400-Y443 HydrophobicContact CZ-CE1 4.32Å; F438-Y443 AromaticContact CE2-CE2 3.61Å; F438-Y443 HydrophobicContact CE2-CE2 3.61Å; F438-Y443 HydrophobicContact CZ-CD2 4.2Å; F438-Y443 AromaticContact CZ-CE2 3.59Å; F438-Y443 HydrophobicContact CZ-CE2 3.59Å; S439-Y443 WeakPolarHBondContact O-CD2 3.48Å; T440-Y443 PolarHBondContact O-N 3.2Å; T440-Y443 VanDerWaalsContact O-N 3.13Å; Y443-K445 PolarHBondContact O-N 3Å; Y443-L446 HydrophobicContact CD1-CD1 4.5Å; Y443-L446 PolarHBondContact O-N 2.73Å; Y443-S449 WeakPolarHBondContact O-CB 3.23Å; Y443-S449 PolarHBondContact O-OG 3.32Å
444	S	97.2	Very high	95.3	Very high	54 Å²	54	65.9 Å²	65.9	38%	0.378	33%	0.334	S	S	.	.	H	α-helix	trans	-70.2	-13.5	177.2	73	0	0	0	0	114.1	A257 T440 T441 F442	A257-S444 VanDerWaalsContact O-CA 3.24Å; A257-S444 WeakPolarHBondContact O-CA 3.46Å; T440-S444 PolarHBondContact O-N 3.49Å; T441-S444 PolarHBondContact O-OG 3.33Å; F442-S444 PolarHBondContact O-N 3.13Å
445	K	96.8	Very high	95.2	Very high	131 Å²	131	67.5 Å²	67.5	57%	0.57	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-3	-179.4	-74.4	-179.9	177.3	-179.4	0	113.9	R359 T441 F442 Y443	R359-K445 WeakPolarHBondContact CB-O 3.14Å; R359-K445 VanDerWaalsContact CG-O 3.23Å; R359-K445 WeakPolarHBondContact CG-O 3.37Å; T441-K445 HydrophobicContact CG2-CD 3.98Å; T441-K445 HydrophobicContact CG2-CG 4.48Å; T441-K445 WeakPolarHBondContact O-CB 3.45Å; T441-K445 VanDerWaalsContact O-CG 3.28Å; T441-K445 WeakPolarHBondContact O-CG 3.26Å; T441-K445 PolarHBondContact O-N 3.44Å; F442-K445 PolarHBondContact O-N 3.02Å; Y443-K445 PolarHBondContact O-N 3Å
446	L	96.9	Very high	95.3	Very high	6 Å²	6	66.8 Å²	66.8	3%	0.031	34%	0.337	C	S	.	.	S	Bend	trans	-59	145.9	173.2	-59.7	172.7	0	0	0	109.6	L258 I263 R359 V363 F442 Y443 C448 S449	L258-L446 HydrophobicContact CD2-CD1 3.96Å; I263-L446 HydrophobicContact CD1-CD1 4.06Å; R359-L446 WeakPolarHBondContact O-CA 3.29Å; V363-L446 HydrophobicContact CG1-CD1 3.83Å; V363-L446 HydrophobicContact CG1-CD2 4.14Å; V363-L446 HydrophobicContact CG2-CD1 3.84Å; F442-L446 HydrophobicContact CE1-CD2 4.26Å; F442-L446 HydrophobicContact CZ-CD2 4.03Å; Y443-L446 HydrophobicContact CD1-CD1 4.5Å; Y443-L446 PolarHBondContact O-N 2.73Å; L446-C448 VanDerWaalsContact C-N 3.33Å; L446-C448 PolarHBondContact O-N 3.28Å; L446-S449 VanDerWaalsContact O-CB 3.32Å; L446-S449 WeakPolarHBondContact O-CB 3.35Å; L446-S449 PolarHBondContact O-N 2.82Å
447	F	95.4	Very high	95.4	Very high	35 Å²	35	57 Å²	57	15%	0.154	31%	0.305	C	S	.	.	H	α-helix	trans	-53.5	-49.6	-174.8	-75.8	-62.6	0	0	0	112.5	H351 D357 R359 A360 S449 S450 D451	H351-F447 HydrophobicContact CB-CD2 3.61Å; H351-F447 HydrophobicContact CB-CE2 4.07Å; H351-F447 HydrophobicContact CB-CG 4.26Å; H351-F447 AromaticContact CD2-CD1 3.96Å; H351-F447 AromaticContact CD2-CD2 3.75Å; H351-F447 AromaticContact CD2-CG 3.5Å; H351-F447 AromaticContact CG-CD2 3.47Å; H351-F447 VanDerWaalsContact CG-CD2 3.47Å; H351-F447 AromaticContact CG-CE2 3.84Å; H351-F447 AromaticContact CG-CG 3.75Å; H351-F447 AromaticContact ND1-CD2 3.91Å; H351-F447 AromaticContact ND1-CE2 3.8Å; H351-F447 AromaticContact NE2-CD1 3.8Å; H351-F447 AromaticContact NE2-CG 3.85Å; D357-F447 VanDerWaalsContact OD2-CZ 3.25Å; D357-F447 WeakPolarHBondContact OD2-CZ 3.02Å; R359-F447 VanDerWaalsContact C-CD2 3.47Å; R359-F447 HydrophobicContact CB-CD1 4.37Å; R359-F447 HydrophobicContact CB-CD2 3.79Å; R359-F447 HydrophobicContact CB-CE1 4.29Å; R359-F447 HydrophobicContact CB-CE2 3.7Å; R359-F447 HydrophobicContact CB-CG 4.13Å; R359-F447 HydrophobicContact CB-CZ 3.97Å; R359-F447 VanDerWaalsContact O-CD2 3.32Å; R359-F447 WeakPolarHBondContact O-CD2 2.82Å; R359-F447 PolarHBondContact O-N 3.13Å; A360-F447 HydrophobicContact CB-CD2 4.13Å; A360-F447 HydrophobicContact CB-CE2 3.97Å; F447-S449 VanDerWaalsContact C-N 3.25Å; F447-S449 PolarHBondContact O-N 3.3Å; F447-S450 PolarHBondContact O-N 3.37Å; F447-S450 PolarHBondContact O-OG 3.37Å; F447-D451 WeakPolarHBondContact O-CB 3.38Å; F447-D451 PolarHBondContact O-N 2.98Å
448	C	94.3	Very high	95.5	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-26.8	179.6	-164.3	0	0	0	0	112.7	S261 N262 C347 L446 S450 H452	S261-C448 WeakPolarHBondContact CB-O 3.39Å; N262-C448 PolarHBondContact O-SG 3.29Å; C347-C448 HydrophobicContact CB-CB 4.14Å; C347-C448 WeakPolarHBondContact CB-SG 3.35Å; C347-C448 VanDerWaalsContact SG-CB 3.58Å; L446-C448 VanDerWaalsContact C-N 3.33Å; L446-C448 PolarHBondContact O-N 3.28Å; C448-S450 PolarHBondContact O-N 3.45Å; C448-H452 WeakPolarHBondContact O-CB 3.1Å; C448-H452 PolarHBondContact O-ND1 2.85Å
449	S	95.5	Very high	95.5	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.028	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-25.3	177.9	-57.1	0	0	0	0	112.9	Y443 L446 F447	Y443-S449 WeakPolarHBondContact O-CB 3.23Å; Y443-S449 PolarHBondContact O-OG 3.32Å; L446-S449 VanDerWaalsContact O-CB 3.32Å; L446-S449 WeakPolarHBondContact O-CB 3.35Å; L446-S449 PolarHBondContact O-N 2.82Å; F447-S449 VanDerWaalsContact C-N 3.25Å; F447-S449 PolarHBondContact O-N 3.3Å
450	S	92.1	Very high	95.5	Very high	90 Å²	90	49.7 Å²	49.7	63%	0.629	27%	0.274	S	S	*	.	H	α-helix	trans	-112	-22.7	179	54.6	0	0	0	0	114.8	F447 C448	F447-S450 PolarHBondContact O-N 3.37Å; F447-S450 PolarHBondContact O-OG 3.37Å; C448-S450 PolarHBondContact O-N 3.45Å
451	D	93.8	Very high	95.5	Very high	51 Å²	51	49.2 Å²	49.2	27%	0.273	27%	0.269	S	S	.	.	S	Bend	trans	-121.8	68.7	-171.3	-169.2	38.7	0	0	0	111.1	C347 L348 T349 F447	C347-D451 WeakPolarHBondContact CA-O 3.44Å; L348-D451 WeakPolarHBondContact CD1-OD1 3.41Å; L348-D451 PolarHBondContact N-O 3.13Å; T349-D451 PolarHBondContact OG1-OD2 3.45Å; T349-D451 VanDerWaalsContact OG1-OD2 3.09Å; F447-D451 WeakPolarHBondContact O-CB 3.38Å; F447-D451 PolarHBondContact O-N 2.98Å
452	H	95.8	Very high	95.4	Very high	37 Å²	37	46.9 Å²	46.9	17%	0.171	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-141.8	164.9	-179.2	67.9	-87.6	0	0	0	113.3	N259 T346 C448	N259-H452 PolarHBondContact O-CE1 2.99Å; N259-H452 PolarHBondContact O-NE2 3.14Å; N259-H452 VanDerWaalsContact O-NE2 3.09Å; T346-H452 CarbonylContact O-C 3.53Å; T346-H452 WeakPolarHBondContact O-CA 3.48Å; T346-H452 VanDerWaalsContact O-CB 3.24Å; T346-H452 WeakPolarHBondContact O-CB 3.37Å; C448-H452 WeakPolarHBondContact O-CB 3.1Å; C448-H452 PolarHBondContact O-ND1 2.85Å
453	I	92.7	Very high	95.3	Very high	98 Å²	98	47.7 Å²	47.7	50%	0.503	26%	0.26	S	S	.	.			trans	-79.3	0	173	-57.4	178.8	0	0	0	111.7	P339 G345 T346 L348	P339-I453 HydrophobicContact CB-CD1 4.03Å; P339-I453 WeakPolarHBondContact O-CD1 3.25Å; G345-I453 WeakPolarHBondContact CA-O 3.02Å; G345-I453 PolarHBondContact N-O 3.4Å; T346-I453 HydrophobicContact CG2-CD1 3.9Å; T346-I453 HydrophobicContact CG2-CG1 4.37Å; T346-I453 PolarHBondContact O-N 3.19Å; L348-I453 HydrophobicContact CD2-CD1 4.18Å; L348-I453 HydrophobicContact CD2-CG1 3.59Å

Retrieved 453 of 453 residues in 500.3 ms (Link to these results)

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