A0A087XEL4_POEFO Loading...

tRNA-dihydrouridine synthase

Catalyzes the synthesis of dihydrouridine, a modified base found in the D-loop of most tRNAs.

AlphaFold DB , UniProt , Accession A0A087XEL4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 318 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	38.4	Very low	238 Å²	238	132.5 Å²	132.5	100%	1.172	77%	0.771	S	S	*	*				0	96	0	-83.7	174.5	167	0	0	109.8
2	K	28.3	Very low	42.3	Very low	211 Å²	211	122.9 Å²	122.9	92%	0.917	72%	0.717	S	S	*	*			trans	-142.2	95.7	151.5	-88.9	-171.5	178.4	179.1	0	104.8	G4	K2-G4 PolarHBondContact O-N 3.35Å; K2-G4 VanDerWaalsContact O-N 3.16Å
3	T	35.1	Very low	46.2	Very low	140 Å²	140	114.2 Å²	114.2	86%	0.859	67%	0.666	S	S	*	*			trans	-65.5	101.2	172.7	43.2	0	0	0	0	107.5	S5	T3-S5 PolarHBondContact O-N 3.33Å
4	G	29.9	Very low	49.6	Very low	67 Å²	67	109.3 Å²	109.3	69%	0.691	63%	0.634	S	S	*	*			trans	-65.7	121	160.9	0	0	0	0	0	107.4	K2 V6	K2-G4 PolarHBondContact O-N 3.35Å; K2-G4 VanDerWaalsContact O-N 3.16Å; G4-V6 PolarHBondContact O-N 2.79Å
5	S	30.1	Very low	52.5	Low	106 Å²	106	105.9 Å²	105.9	74%	0.741	61%	0.613	S	S	*	*			trans	-58.2	106.9	173.4	51.7	0	0	0	0	108.9	T3 N7	T3-S5 PolarHBondContact O-N 3.33Å; S5-N7 PolarHBondContact O-N 3.45Å; S5-N7 VanDerWaalsContact O-N 3.09Å
6	V	34.4	Very low	55.1	Low	125 Å²	125	101.8 Å²	101.8	76%	0.758	59%	0.586	S	S	*	*			trans	-60.9	110.6	161.9	178.3	0	0	0	0	105.5	G4 N8	G4-V6 PolarHBondContact O-N 2.79Å; V6-N8 VanDerWaalsContact C-N 3.31Å; V6-N8 PolarHBondContact O-N 2.78Å
7	N	31.2	Very low	57.2	Low	146 Å²	146	96.9 Å²	96.9	78%	0.781	56%	0.557	S	S	*	*			trans	-62.2	100.9	170.3	-101.8	-9.3	0	0	0	107.2	S5 S9	S5-N7 PolarHBondContact O-N 3.45Å; S5-N7 VanDerWaalsContact O-N 3.09Å; N7-S9 PolarHBondContact O-N 3.3Å
8	N	36.1	Very low	58.8	Low	130 Å²	130	100 Å²	100	70%	0.695	57%	0.566	S	S	*	*			trans	-79.7	65.6	178.3	-148.6	18.4	0	0	0	108.4	V6 N10	V6-N8 VanDerWaalsContact C-N 3.31Å; V6-N8 PolarHBondContact O-N 2.78Å; N8-N10 VanDerWaalsContact C-N 3.27Å; N8-N10 PolarHBondContact O-N 3.1Å; N8-N10 VanDerWaalsContact O-N 3.12Å
9	S	41.3	Very low	59.9	Low	96 Å²	96	102.4 Å²	102.4	67%	0.671	57%	0.571	S	S	*	*			trans	-81.8	86	166.3	62.5	0	0	0	0	107.5	N7 S11	N7-S9 PolarHBondContact O-N 3.3Å; S9-S11 PolarHBondContact O-N 2.96Å
10	N	49.8	Very low	60.4	Low	118 Å²	118	101 Å²	101	63%	0.631	58%	0.581	S	S	*	*			trans	-63.9	30.9	172.9	-112.3	-4.1	0	0	0	112.8	N8 S12	N8-N10 VanDerWaalsContact C-N 3.27Å; N8-N10 PolarHBondContact O-N 3.1Å; N8-N10 VanDerWaalsContact O-N 3.12Å; N10-S12 PolarHBondContact O-N 3.34Å
11	S	65.3	Low	61.7	Low	81 Å²	81	101 Å²	101	57%	0.566	58%	0.575	S	S	*	*			trans	-78.2	118.1	-177.4	60.2	0	0	0	0	109.8	S9 D15	S9-S11 PolarHBondContact O-N 2.96Å; S11-D15 WeakPolarHBondContact CA-OD2 3.46Å
12	S	85.1	Confident	64.4	Low	17 Å²	17	90.8 Å²	90.8	12%	0.119	53%	0.525	C	S	.	.			trans	-71.5	153.4	173.9	-179.9	0	0	0	0	109.8	N10 M14 D15	N10-S12 PolarHBondContact O-N 3.34Å; S12-M14 PolarHBondContact O-N 3.33Å; S12-M14 VanDerWaalsContact O-N 3.16Å; S12-M14 PolarHBondContact OG-N 2.87Å; S12-D15 PolarHBondContact N-OD2 3.1Å; S12-D15 WeakPolarHBondContact O-CB 3.47Å; S12-D15 PolarHBondContact O-N 2.88Å
13	I	92.6	Very high	67.7	Low	10 Å²	10	80.9 Å²	80.9	5%	0.051	48%	0.483	C	S	.	.	H	α-helix	trans	-56.2	-29.8	167.3	-67.7	159.9	0	0	0	110.4	D15 M16 F17 I48 P78 I80 D103 T149 W177	I13-D15 PolarHBondContact O-N 3.48Å; I13-M16 HydrophobicContact CG2-SD 4.47Å; I13-M16 VanDerWaalsContact O-CB 3.27Å; I13-M16 WeakPolarHBondContact O-CB 3.27Å; I13-M16 PolarHBondContact O-N 3.22Å; I13-F17 HydrophobicContact CG2-CE2 4.04Å; I13-I48 HydrophobicContact CG2-CD1 3.71Å; I13-P78 HydrophobicContact CD1-CB 4.05Å; I13-P78 HydrophobicContact CG1-CB 3.81Å; I13-P78 HydrophobicContact CG1-CG 4.43Å; I13-I80 HydrophobicContact CD1-CD1 3.62Å; I13-D103 HydrophobicContact CD1-CB 3.42Å; I13-D103 VanDerWaalsContact CD1-CB 3.42Å; I13-D103 HydrophobicContact CG1-CB 4.24Å; I13-T149 HydrophobicContact CB-CG2 4.16Å; I13-T149 HydrophobicContact CD1-CG2 4.18Å; I13-W177 HydrophobicContact CB-CZ3 4.42Å; I13-W177 HydrophobicContact CD1-CH2 4.32Å; I13-W177 HydrophobicContact CG2-CH2 4.04Å; I13-W177 HydrophobicContact CG2-CZ3 3.79Å
14	M	94.4	Very high	70.7	Confident	45 Å²	45	75.2 Å²	75.2	22%	0.222	45%	0.446	C	S	.	.	H	α-helix	trans	-59.2	-35.4	177.6	-60.6	-51.2	-59.7	0	0	112.3	S12 M16 F17 E18 T149 S176 W177 P207	S12-M14 PolarHBondContact O-N 3.33Å; S12-M14 VanDerWaalsContact O-N 3.16Å; S12-M14 PolarHBondContact OG-N 2.87Å; M14-M16 PolarHBondContact O-N 3.49Å; M14-M16 VanDerWaalsContact O-N 3.17Å; M14-F17 HydrophobicContact CE-CD2 4.48Å; M14-F17 PolarHBondContact O-N 2.7Å; M14-F17 HydrophobicContact SD-CD2 4.41Å; M14-E18 PolarHBondContact O-N 2.93Å; M14-T149 HydrophobicContact CG-CG2 4.47Å; M14-T149 HydrophobicContact SD-CG2 4.44Å; M14-S176 WeakPolarHBondContact CE-O 3.39Å; M14-W177 HydrophobicContact SD-CE3 3.96Å; M14-W177 HydrophobicContact SD-CZ3 4.17Å; M14-P207 HydrophobicContact CE-CG 3.77Å
15	D	92.7	Very high	74	Confident	59 Å²	59	72 Å²	72	32%	0.316	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-25.1	178	-51.1	-14.1	0	0	0	111.8	S11 S12 I13 E18 Q19	S11-D15 WeakPolarHBondContact CA-OD2 3.46Å; S12-D15 PolarHBondContact N-OD2 3.1Å; S12-D15 WeakPolarHBondContact O-CB 3.47Å; S12-D15 PolarHBondContact O-N 2.88Å; I13-D15 PolarHBondContact O-N 3.48Å; D15-E18 PolarHBondContact O-N 2.69Å; D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-NE2 3.48Å
16	M	93.8	Very high	77.3	Confident	39 Å²	39	67 Å²	67	19%	0.192	38%	0.378	C	S	.	.	H	α-helix	trans	-70	-33.6	176.4	-57.5	175.8	64.7	0	0	111.7	I13 M14 E18 L23 D47 I48 P78	I13-M16 HydrophobicContact CG2-SD 4.47Å; I13-M16 VanDerWaalsContact O-CB 3.27Å; I13-M16 WeakPolarHBondContact O-CB 3.27Å; I13-M16 PolarHBondContact O-N 3.22Å; M14-M16 PolarHBondContact O-N 3.49Å; M14-M16 VanDerWaalsContact O-N 3.17Å; M16-E18 VanDerWaalsContact C-N 3.35Å; M16-L23 HydrophobicContact CB-CD1 3.8Å; M16-L23 HydrophobicContact CB-CD2 4.08Å; M16-L23 HydrophobicContact CE-CD2 4.35Å; M16-D47 HydrophobicContact CE-CB 3.93Å; M16-I48 HydrophobicContact CE-CG1 4.26Å; M16-P78 HydrophobicContact CE-CG 4.48Å; M16-P78 HydrophobicContact SD-CG 3.86Å
17	F	92.2	Very high	80.3	Confident	19 Å²	19	61.1 Å²	61.1	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-73.6	-28	176.8	-69.5	-75	0	0	0	112.2	I13 M14 Q19 L23 I48 W177 P207 I209 D230	I13-F17 HydrophobicContact CG2-CE2 4.04Å; M14-F17 HydrophobicContact CE-CD2 4.48Å; M14-F17 PolarHBondContact O-N 2.7Å; M14-F17 HydrophobicContact SD-CD2 4.41Å; F17-Q19 VanDerWaalsContact C-N 3.32Å; F17-Q19 PolarHBondContact O-N 3.1Å; F17-L23 HydrophobicContact CD1-CD1 3.62Å; F17-L23 HydrophobicContact CD1-CG 4.08Å; F17-L23 HydrophobicContact CD2-CD1 4.11Å; F17-L23 HydrophobicContact CE1-CB 4.44Å; F17-L23 HydrophobicContact CE1-CD1 3.52Å; F17-L23 HydrophobicContact CE1-CG 4.11Å; F17-L23 HydrophobicContact CE2-CD1 4.01Å; F17-L23 HydrophobicContact CG-CD1 3.94Å; F17-L23 HydrophobicContact CZ-CD1 3.72Å; F17-I48 HydrophobicContact CZ-CD1 4.43Å; F17-W177 HydrophobicContact CE2-CD2 4.19Å; F17-W177 AromaticContact CE2-CE3 3.75Å; F17-W177 HydrophobicContact CE2-CE3 3.75Å; F17-W177 HydrophobicContact CE2-CZ3 4.22Å; F17-W177 HydrophobicContact CZ-CD2 4.27Å; F17-W177 HydrophobicContact CZ-CE3 4.29Å; F17-W177 HydrophobicContact CZ-CG 4.41Å; F17-P207 HydrophobicContact CB-CB 4.45Å; F17-P207 HydrophobicContact CB-CG 3.97Å; F17-P207 HydrophobicContact CD1-CB 3.78Å; F17-P207 HydrophobicContact CD1-CG 4.21Å; F17-P207 HydrophobicContact CD2-CB 4.29Å; F17-P207 HydrophobicContact CD2-CG 4.08Å; F17-P207 HydrophobicContact CE1-CB 3.98Å; F17-P207 HydrophobicContact CE2-CB 4.48Å; F17-P207 HydrophobicContact CG-CB 3.93Å; F17-P207 HydrophobicContact CG-CG 3.84Å; F17-P207 HydrophobicContact CZ-CB 4.33Å; F17-I209 HydrophobicContact CE1-CD1 4.46Å; F17-I209 HydrophobicContact CE1-CG1 4.24Å; F17-I209 HydrophobicContact CZ-CD1 4.12Å; F17-I209 HydrophobicContact CZ-CG1 4.39Å; F17-D230 HydrophobicContact CD1-CB 3.65Å; F17-D230 HydrophobicContact CE1-CB 4.2Å
18	E	85.1	Confident	83.5	Confident	153 Å²	153	55.1 Å²	55.1	72%	0.715	31%	0.312	S	S	*	.	H	α-helix	trans	-77	-16.8	-178.6	-66	179.9	-179.4	0	0	113.6	M14 D15 M16 G20	M14-E18 PolarHBondContact O-N 2.93Å; D15-E18 PolarHBondContact O-N 2.69Å; M16-E18 VanDerWaalsContact C-N 3.35Å; E18-G20 PolarHBondContact O-N 3.41Å; E18-G20 VanDerWaalsContact O-N 3.1Å
19	Q	80.1	Confident	86.5	Confident	145 Å²	145	49.8 Å²	49.8	68%	0.678	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	3.9	-177.3	-72.7	166.3	38.4	0	0	114.6	D15 F17 K21	D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-NE2 3.48Å; F17-Q19 VanDerWaalsContact C-N 3.32Å; F17-Q19 PolarHBondContact O-N 3.1Å; Q19-K21 PolarHBondContact O-N 3.46Å
20	G	70.4	Confident	88.9	Confident	74 Å²	74	48.8 Å²	48.8	76%	0.763	27%	0.272	S	S	*	.	S	Bend	trans	71.1	10.2	175.8	0	0	0	0	0	115.1	E18	E18-G20 PolarHBondContact O-N 3.41Å; E18-G20 VanDerWaalsContact O-N 3.1Å
21	K	87.7	Confident	90.8	Very high	102 Å²	102	51.9 Å²	51.9	44%	0.443	28%	0.275	S	S	.	.	S	Bend	trans	-102	136.5	174.1	-178.8	-167.5	169.4	-156.9	0	109.6	Q19 L23 D47	Q19-K21 PolarHBondContact O-N 3.46Å; K21-L23 PolarHBondContact O-N 3.17Å; K21-D47 IonicContact NZ-OD1 2.92Å; K21-D47 PolarHBondContact NZ-OD1 3.02Å; K21-D47 IonicContact NZ-OD2 2.9Å
22	V	96.4	Very high	92.3	Very high	23 Å²	23	50.2 Å²	50.2	14%	0.139	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-66.2	121.4	168.9	61	0	0	0	0	110.6	V220 H224 V232	V22-V220 HydrophobicContact CB-CG1 4.48Å; V22-V220 HydrophobicContact CG1-CG1 3.69Å; V22-V220 HydrophobicContact CG2-CG1 3.92Å; V22-H224 HydrophobicContact CB-CB 4.16Å; V22-H224 HydrophobicContact CG1-CB 4.4Å; V22-H224 HydrophobicContact CG2-CB 4Å; V22-V232 HydrophobicContact CG2-CG2 3.88Å
23	L	98.1	Very high	92.9	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.6	179.6	-60.7	-169.5	0	0	0	112	M16 F17 K21 I25 D47 I48 D230 G231 V232	M16-L23 HydrophobicContact CB-CD1 3.8Å; M16-L23 HydrophobicContact CB-CD2 4.08Å; M16-L23 HydrophobicContact CE-CD2 4.35Å; F17-L23 HydrophobicContact CD1-CD1 3.62Å; F17-L23 HydrophobicContact CD1-CG 4.08Å; F17-L23 HydrophobicContact CD2-CD1 4.11Å; F17-L23 HydrophobicContact CE1-CB 4.44Å; F17-L23 HydrophobicContact CE1-CD1 3.52Å; F17-L23 HydrophobicContact CE1-CG 4.11Å; F17-L23 HydrophobicContact CE2-CD1 4.01Å; F17-L23 HydrophobicContact CG-CD1 3.94Å; F17-L23 HydrophobicContact CZ-CD1 3.72Å; K21-L23 PolarHBondContact O-N 3.17Å; L23-I25 HydrophobicContact CB-CD1 4.17Å; L23-I25 HydrophobicContact CB-CG1 4.17Å; L23-D47 HydrophobicContact CD2-CB 4.43Å; L23-I48 HydrophobicContact CD1-CD1 3.76Å; L23-D230 PolarHBondContact N-O 3.05Å; L23-G231 CarbonylContact O-C 3.54Å; L23-G231 VanDerWaalsContact O-CA 3.28Å; L23-G231 WeakPolarHBondContact O-CA 3.37Å; L23-V232 PolarHBondContact O-N 3.32Å
24	K	98.6	Very high	93.1	Very high	21 Å²	21	51.9 Å²	51.9	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.8	179.1	-63.1	174.1	-65.5	178.1	0	109.6	N45 D47 I48 L217 V220 F245	K24-N45 WeakPolarHBondContact CE-O 3.33Å; K24-N45 PolarHBondContact NZ-O 3.45Å; K24-D47 WeakPolarHBondContact CB-OD2 3.38Å; K24-D47 PolarHBondContact N-OD2 2.89Å; K24-D47 PolarHBondContact O-N 2.78Å; K24-I48 PolarHBondContact O-N 2.75Å; K24-L217 HydrophobicContact CD-CD1 3.86Å; K24-V220 HydrophobicContact CG-CG1 4.19Å; K24-F245 HydrophobicContact CB-CB 4.44Å; K24-F245 HydrophobicContact CB-CD1 3.91Å; K24-F245 HydrophobicContact CB-CD2 3.76Å; K24-F245 HydrophobicContact CB-CE1 3.98Å; K24-F245 HydrophobicContact CB-CE2 3.82Å; K24-F245 HydrophobicContact CB-CG 3.8Å; K24-F245 HydrophobicContact CB-CZ 3.93Å; K24-F245 HydrophobicContact CD-CB 3.97Å; K24-F245 HydrophobicContact CD-CD1 3.95Å; K24-F245 HydrophobicContact CD-CG 4.02Å; K24-F245 HydrophobicContact CG-CD1 4.05Å; K24-F245 HydrophobicContact CG-CE1 4.27Å; K24-F245 HydrophobicContact CG-CG 4.27Å; K24-F245 PolarHBondContact NZ-O 3.29Å
25	I	98.8	Very high	93.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132	-161.9	-55.5	176.8	0	0	0	111.1	L23 I48 F50 I209 V232 M233 A234	L23-I25 HydrophobicContact CB-CD1 4.17Å; L23-I25 HydrophobicContact CB-CG1 4.17Å; I25-I48 WeakPolarHBondContact CA-O 3.32Å; I25-I48 HydrophobicContact CD1-CD1 4.32Å; I25-I48 HydrophobicContact CG1-CB 4.19Å; I25-I48 HydrophobicContact CG2-CB 4.21Å; I25-I48 HydrophobicContact CG2-CG2 4.49Å; I25-F50 HydrophobicContact CG2-CD2 3.85Å; I25-F50 HydrophobicContact CG2-CE2 3.56Å; I25-I209 HydrophobicContact CD1-CD1 3.35Å; I25-I209 HydrophobicContact CD1-CG1 3.73Å; I25-I209 HydrophobicContact CD1-CG2 3.96Å; I25-V232 PolarHBondContact N-O 2.98Å; I25-M233 HydrophobicContact CB-CB 4.12Å; I25-M233 HydrophobicContact CB-CG 4.42Å; I25-M233 HydrophobicContact CG2-CB 4.31Å; I25-M233 HydrophobicContact CG2-CE 3.7Å; I25-M233 HydrophobicContact CG2-CG 4.19Å; I25-M233 CarbonylContact O-C 3.55Å; I25-M233 VanDerWaalsContact O-CA 3.28Å; I25-M233 WeakPolarHBondContact O-CA 3.18Å; I25-A234 PolarHBondContact O-N 3Å
26	C	98.8	Very high	93.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.5	172.4	178.7	0	0	0	0	110.4	V41 C46 I48 C49 F50 L238	C26-V41 HydrophobicContact CB-CG2 4.04Å; C26-C46 VanDerWaalsContact CB-SG 3.57Å; C26-C46 PolarHBondContact N-SG 3.37Å; C26-C46 VanDerWaalsContact N-SG 3.39Å; C26-I48 PolarHBondContact N-O 2.9Å; C26-C49 HydrophobicContact CB-CB 4.23Å; C26-F50 WeakPolarHBondContact O-CD2 3.47Å; C26-F50 PolarHBondContact O-N 3.36Å; C26-L238 HydrophobicContact CB-CD1 3.73Å
27	A	98.7	Very high	93.8	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-68.5	153.7	-177.7	0	0	0	0	0	113.3	M29 M233 A234 A235	A27-M29 HydrophobicContact CB-CG 4.46Å; A27-M29 PolarHBondContact O-N 2.88Å; A27-M233 VanDerWaalsContact CA-SD 3.59Å; A27-M233 HydrophobicContact CB-CG 3.55Å; A27-M233 HydrophobicContact CB-SD 3.61Å; A27-A234 WeakPolarHBondContact CB-O 3.37Å; A27-A234 PolarHBondContact N-O 3.37Å; A27-A235 HydrophobicContact CB-CB 3.65Å
28	P	98.4	Very high	94.1	Very high	20 Å²	20	45.6 Å²	45.6	13%	0.13	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-67.5	123.3	167	24.7	-27.9	0	0	0	110.1	F50 T51 Q82 K153	P28-F50 HydrophobicContact CB-CB 3.92Å; P28-F50 HydrophobicContact CG-CB 4.18Å; P28-F50 HydrophobicContact CG-CD1 4.22Å; P28-F50 HydrophobicContact CG-CG 4.47Å; P28-T51 VanDerWaalsContact CA-O 3.26Å; P28-T51 WeakPolarHBondContact CA-O 3.42Å; P28-T51 WeakPolarHBondContact CB-O 3.34Å; P28-Q82 HydrophobicContact CB-CB 4.07Å; P28-Q82 HydrophobicContact CB-CG 4.42Å; P28-Q82 VanDerWaalsContact CB-OE1 3.24Å; P28-Q82 HydrophobicContact CG-CB 4.49Å; P28-Q82 VanDerWaalsContact CG-OE1 3.3Å; P28-K153 HydrophobicContact CG-CD 3.89Å
29	M	97.4	Very high	94.7	Very high	17 Å²	17	39.4 Å²	39.4	8%	0.084	20%	0.204	C	C	.	.			trans	-134.5	111.8	-178.1	-66.4	178.9	-74.6	0	0	109.4	A27 R31 Y32 S33 F37 A235 L239	A27-M29 HydrophobicContact CB-CG 4.46Å; A27-M29 PolarHBondContact O-N 2.88Å; M29-R31 PolarHBondContact O-N 2.87Å; M29-Y32 HydrophobicContact CB-CD2 4.31Å; M29-Y32 PolarHBondContact O-N 3.24Å; M29-S33 PolarHBondContact N-OG 3.25Å; M29-S33 PolarHBondContact O-N 2.92Å; M29-S33 VanDerWaalsContact O-N 3.08Å; M29-S33 PolarHBondContact O-OG 3.12Å; M29-F37 HydrophobicContact CE-CD1 4.31Å; M29-F37 HydrophobicContact CE-CE1 3.7Å; M29-A235 HydrophobicContact CG-CB 4.15Å; M29-A235 HydrophobicContact SD-CB 3.81Å; M29-L239 HydrophobicContact CE-CD2 4.04Å; M29-L239 HydrophobicContact CE-CG 4.3Å; M29-L239 HydrophobicContact SD-CD1 3.86Å; M29-L239 HydrophobicContact SD-CD2 4.02Å; M29-L239 HydrophobicContact SD-CG 3.78Å
30	V	93.3	Very high	95.6	Very high	75 Å²	75	32.5 Å²	32.5	46%	0.455	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	125.9	178.1	175.8	0	0	0	0	109.6	Y32 M53	V30-Y32 WeakPolarHBondContact O-CD2 3.34Å; V30-Y32 PolarHBondContact O-N 3.37Å; V30-Y32 VanDerWaalsContact O-N 3.17Å; V30-M53 HydrophobicContact CG2-CB 3.99Å; V30-M53 HydrophobicContact CG2-CE 4.37Å
31	R	89.5	Confident	97	Very high	183 Å²	183	29 Å²	29	69%	0.691	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	-27.5	-172.6	-51.7	171.4	-152.3	-171.8	4.7	116.8	M29	M29-R31 PolarHBondContact O-N 2.87Å
32	Y	96.1	Very high	97.5	Very high	47 Å²	47	26.2 Å²	26.2	18%	0.184	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-42.4	-167.6	-57.9	-71.3	0	0	0	114.4	M29 V30 K34 F37 L239 H276 Y279	M29-Y32 HydrophobicContact CB-CD2 4.31Å; M29-Y32 PolarHBondContact O-N 3.24Å; V30-Y32 WeakPolarHBondContact O-CD2 3.34Å; V30-Y32 PolarHBondContact O-N 3.37Å; V30-Y32 VanDerWaalsContact O-N 3.17Å; Y32-K34 PolarHBondContact O-N 3.49Å; Y32-F37 VanDerWaalsContact O-CB 3.23Å; Y32-F37 WeakPolarHBondContact O-CB 3.29Å; Y32-L239 HydrophobicContact CD1-CD2 4.31Å; Y32-L239 HydrophobicContact CD2-CD1 4.28Å; Y32-L239 HydrophobicContact CG-CD1 4.31Å; Y32-L239 HydrophobicContact CG-CD2 4.05Å; Y32-H276 PolarHBondContact O-NE2 3.35Å; Y32-H276 VanDerWaalsContact O-NE2 3.17Å; Y32-Y279 HydrophobicContact CD1-CE2 4.38Å; Y32-Y279 AromaticContact CE1-CE2 3.7Å; Y32-Y279 HydrophobicContact CE1-CE2 3.7Å; Y32-Y279 AromaticContact CZ-CE2 3.95Å; Y32-Y279 PolarHBondContact OH-OH 3.18Å; Y32-Y279 VanDerWaalsContact OH-OH 3.12Å
33	S	97.6	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-81.2	39.2	-176.8	64.4	0	0	0	0	113.4	M29 R38 F50 T51 P52	M29-S33 PolarHBondContact N-OG 3.25Å; M29-S33 PolarHBondContact O-N 2.92Å; M29-S33 VanDerWaalsContact O-N 3.08Å; M29-S33 PolarHBondContact O-OG 3.12Å; S33-R38 WeakPolarHBondContact O-CD 3.21Å; S33-R38 WeakPolarHBondContact O-CG 3.46Å; S33-R38 PolarHBondContact O-NH1 2.93Å; S33-F50 WeakPolarHBondContact CB-O 3.08Å; S33-F50 PolarHBondContact OG-O 3.04Å; S33-T51 PolarHBondContact OG-O 3.32Å; S33-P52 WeakPolarHBondContact O-CD 3.49Å; S33-P52 VanDerWaalsContact OG-N 3.15Å
34	K	97.1	Very high	97.6	Very high	61 Å²	61	31.4 Å²	31.4	27%	0.265	14%	0.143	S	C	.	.	S	Bend	trans	-74.8	170.9	174.3	-68.6	-162.9	174.8	-151.1	0	111.4	Y32 A36 F37 R38 P52 S68	Y32-K34 PolarHBondContact O-N 3.49Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 3.37Å; K34-F37 PolarHBondContact O-N 3.46Å; K34-R38 PolarHBondContact O-N 2.96Å; K34-P52 HydrophobicContact CG-CG 3.83Å; K34-S68 PolarHBondContact NZ-O 2.95Å
35	L	98	Very high	97.5	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.105	16%	0.162	C	C	.	.	H	α-helix	trans	-49.6	-46.7	-171.5	-179	56.1	0	0	0	113.9	F37 R38 S39 N73 D76	L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 2.9Å; L35-R38 PolarHBondContact O-N 3.45Å; L35-S39 WeakPolarHBondContact O-CB 3.3Å; L35-S39 PolarHBondContact O-N 3.38Å; L35-S39 PolarHBondContact O-OG 2.96Å; L35-N73 HydrophobicContact CD2-CB 4.47Å; L35-D76 HydrophobicContact CD1-CB 3.68Å; L35-D76 WeakPolarHBondContact CD1-OD2 3.46Å
36	A	98.1	Very high	97.5	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-45	179.2	0	0	0	0	0	111.8	K34 S39 L40 W259 I262 T268	K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 3.37Å; A36-S39 WeakPolarHBondContact O-CB 3.35Å; A36-S39 PolarHBondContact O-N 3.39Å; A36-L40 PolarHBondContact O-N 2.65Å; A36-W259 HydrophobicContact CB-CH2 4.1Å; A36-W259 HydrophobicContact CB-CZ3 3.76Å; A36-I262 HydrophobicContact CB-CG2 3.93Å; A36-I262 WeakPolarHBondContact O-CG2 3.19Å; A36-T268 WeakPolarHBondContact CB-OG1 3.38Å
37	F	98.6	Very high	97.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-72.4	-38.1	-178.6	-173.3	-107.6	0	0	0	111.8	M29 Y32 K34 L35 S39 L40 V41 L238 L239 P242 W259 H276 M280	M29-F37 HydrophobicContact CE-CD1 4.31Å; M29-F37 HydrophobicContact CE-CE1 3.7Å; Y32-F37 VanDerWaalsContact O-CB 3.23Å; Y32-F37 WeakPolarHBondContact O-CB 3.29Å; K34-F37 PolarHBondContact O-N 3.46Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 2.9Å; F37-S39 VanDerWaalsContact C-N 3.3Å; F37-S39 PolarHBondContact O-N 3.3Å; F37-L40 HydrophobicContact CD2-CD2 4.39Å; F37-L40 WeakPolarHBondContact O-CB 3.45Å; F37-L40 PolarHBondContact O-N 3.01Å; F37-V41 HydrophobicContact CD1-CG1 4.28Å; F37-V41 HydrophobicContact CE1-CG1 3.77Å; F37-V41 HydrophobicContact CE2-CG1 4.12Å; F37-V41 HydrophobicContact CZ-CG1 3.68Å; F37-V41 WeakPolarHBondContact O-CG2 3.48Å; F37-V41 PolarHBondContact O-N 3.48Å; F37-L238 HydrophobicContact CE1-CB 4.33Å; F37-L238 HydrophobicContact CZ-CB 4.03Å; F37-L238 WeakPolarHBondContact CZ-O 3.33Å; F37-L239 HydrophobicContact CE1-CD2 4.24Å; F37-L239 HydrophobicContact CE2-CD2 4.4Å; F37-L239 HydrophobicContact CZ-CD2 3.98Å; F37-P242 HydrophobicContact CE2-CB 4.3Å; F37-P242 HydrophobicContact CE2-CG 4.05Å; F37-W259 HydrophobicContact CB-CH2 4.36Å; F37-W259 HydrophobicContact CB-CZ3 4Å; F37-W259 HydrophobicContact CD2-CZ3 4.28Å; F37-H276 AromaticContact CD2-CE1 3.12Å; F37-H276 WeakPolarHBondContact CD2-CE1 3.47Å; F37-H276 AromaticContact CD2-ND1 3.47Å; F37-H276 WeakPolarHBondContact CD2-ND1 3.26Å; F37-H276 AromaticContact CD2-NE2 3.84Å; F37-H276 AromaticContact CE2-CE1 3.5Å; F37-H276 AromaticContact CE2-ND1 3.6Å; F37-H276 AromaticContact CG-CE1 3.42Å; F37-H276 VanDerWaalsContact CG-CE1 3.42Å; F37-H276 WeakPolarHBondContact CG-CE1 3.45Å; F37-H276 AromaticContact CG-NE2 3.89Å; F37-M280 HydrophobicContact CE2-CE 4.29Å
38	R	98.7	Very high	97.5	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.011	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-40.4	172.7	-63.1	-168	-51.5	-96.2	7.2	111.3	S33 K34 L35 L40 V41 R42 C49 F50 T71 D76	S33-R38 WeakPolarHBondContact O-CD 3.21Å; S33-R38 WeakPolarHBondContact O-CG 3.46Å; S33-R38 PolarHBondContact O-NH1 2.93Å; K34-R38 PolarHBondContact O-N 2.96Å; L35-R38 PolarHBondContact O-N 3.45Å; R38-L40 VanDerWaalsContact C-N 3.34Å; R38-V41 WeakPolarHBondContact O-CG2 3.32Å; R38-R42 WeakPolarHBondContact O-CB 3.33Å; R38-R42 VanDerWaalsContact O-CG 3.23Å; R38-R42 WeakPolarHBondContact O-CG 3.33Å; R38-R42 PolarHBondContact O-N 3.37Å; R38-R42 VanDerWaalsContact O-N 3.15Å; R38-C49 HydrophobicContact CB-CB 4.05Å; R38-C49 HydrophobicContact CG-CB 3.87Å; R38-F50 WeakPolarHBondContact CD-O 3.39Å; R38-T71 PolarHBondContact NH2-O 3.12Å; R38-D76 IonicContact CZ-OD2 2.63Å; R38-D76 IonicContact NE-OD1 2.8Å; R38-D76 IonicContact NE-OD2 2.9Å; R38-D76 PolarHBondContact NE-OD2 3.23Å; R38-D76 IonicContact NH2-OD2 2.77Å; R38-D76 PolarHBondContact NH2-OD2 3.14Å
39	S	98.6	Very high	97.5	Very high	23 Å²	23	35.7 Å²	35.7	16%	0.161	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-44.2	175.2	-55.7	0	0	0	0	110.9	L35 A36 F37 K43 Q266	L35-S39 WeakPolarHBondContact O-CB 3.3Å; L35-S39 PolarHBondContact O-N 3.38Å; L35-S39 PolarHBondContact O-OG 2.96Å; A36-S39 WeakPolarHBondContact O-CB 3.35Å; A36-S39 PolarHBondContact O-N 3.39Å; F37-S39 VanDerWaalsContact C-N 3.3Å; F37-S39 PolarHBondContact O-N 3.3Å; S39-K43 PolarHBondContact O-N 2.71Å; S39-Q266 PolarHBondContact OG-NE2 2.78Å
40	L	98.8	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-58.8	177	-178.3	68.6	0	0	0	111.6	A36 F37 R38 R42 K43 Y44 P242 D258 W259 I262 M280	A36-L40 PolarHBondContact O-N 2.65Å; F37-L40 HydrophobicContact CD2-CD2 4.39Å; F37-L40 WeakPolarHBondContact O-CB 3.45Å; F37-L40 PolarHBondContact O-N 3.01Å; R38-L40 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.11Å; L40-R42 VanDerWaalsContact O-N 3.15Å; L40-K43 WeakPolarHBondContact O-CB 3.39Å; L40-K43 PolarHBondContact O-N 3.07Å; L40-Y44 HydrophobicContact CD1-CD2 4.32Å; L40-Y44 HydrophobicContact CD1-CE2 3.85Å; L40-Y44 WeakPolarHBondContact O-CD2 3.45Å; L40-P242 HydrophobicContact CD2-CB 3.63Å; L40-P242 HydrophobicContact CD2-CG 3.68Å; L40-P242 HydrophobicContact CG-CB 4.06Å; L40-D258 HydrophobicContact CD1-CB 3.63Å; L40-W259 HydrophobicContact CB-CE3 4.4Å; L40-W259 HydrophobicContact CD1-CB 4.39Å; L40-W259 HydrophobicContact CD2-CB 3.9Å; L40-W259 HydrophobicContact CD2-CD2 4.37Å; L40-W259 HydrophobicContact CD2-CE3 3.89Å; L40-W259 HydrophobicContact CD2-CG 4.42Å; L40-I262 HydrophobicContact CB-CD1 4.2Å; L40-I262 HydrophobicContact CD1-CD1 4.15Å; L40-M280 HydrophobicContact CD2-CE 3.78Å
41	V	98.8	Very high	97.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-26.9	-174.6	-60.4	0	0	0	0	112.8	C26 F37 R38 Y44 C46 L238 P242	C26-V41 HydrophobicContact CB-CG2 4.04Å; F37-V41 HydrophobicContact CD1-CG1 4.28Å; F37-V41 HydrophobicContact CE1-CG1 3.77Å; F37-V41 HydrophobicContact CE2-CG1 4.12Å; F37-V41 HydrophobicContact CZ-CG1 3.68Å; F37-V41 WeakPolarHBondContact O-CG2 3.48Å; F37-V41 PolarHBondContact O-N 3.48Å; R38-V41 WeakPolarHBondContact O-CG2 3.32Å; V41-Y44 CarbonylContact O-C 3.34Å; V41-Y44 PolarHBondContact O-N 2.94Å; V41-Y44 VanDerWaalsContact O-N 3.08Å; V41-C46 HydrophobicContact CB-CB 4Å; V41-C46 HydrophobicContact CG2-CB 3.94Å; V41-C46 WeakPolarHBondContact O-CB 3.31Å; V41-C46 PolarHBondContact O-N 2.93Å; V41-L238 HydrophobicContact CB-CD2 4.43Å; V41-L238 HydrophobicContact CG1-CD2 3.99Å; V41-P242 HydrophobicContact CG1-CB 4.01Å
42	R	98.4	Very high	98.2	Very high	44 Å²	44	22.7 Å²	22.7	17%	0.166	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-36.4	172	-76.7	179.4	-168.9	-67.5	4.9	112.8	R38 L40 Y44 N45 D76 R77 P78	R38-R42 WeakPolarHBondContact O-CB 3.33Å; R38-R42 VanDerWaalsContact O-CG 3.23Å; R38-R42 WeakPolarHBondContact O-CG 3.33Å; R38-R42 PolarHBondContact O-N 3.37Å; R38-R42 VanDerWaalsContact O-N 3.15Å; L40-R42 PolarHBondContact O-N 3.11Å; L40-R42 VanDerWaalsContact O-N 3.15Å; R42-Y44 PolarHBondContact O-N 3.43Å; R42-Y44 VanDerWaalsContact O-N 3.16Å; R42-N45 PolarHBondContact O-N 2.93Å; R42-D76 IonicContact CZ-OD1 3.84Å; R42-D76 IonicContact NE-OD1 3.58Å; R42-D76 PolarHBondContact NE-OD1 2.98Å; R42-D76 IonicContact NH2-OD1 3.4Å; R42-D76 PolarHBondContact NH2-OD1 2.9Å; R42-R77 PolarHBondContact NH1-O 2.97Å; R42-P78 PolarHBondContact NH1-O 3.27Å; R42-P78 VanDerWaalsContact NH2-C 3.33Å; R42-P78 PolarHBondContact NH2-O 3.2Å
43	K	98.3	Very high	98.3	Very high	118 Å²	118	21.1 Å²	21.1	51%	0.513	10%	0.103	S	C	.	.	H	α-helix	trans	-61.1	-21.3	172.5	-63.8	-177.2	80.2	-171.9	0	112	S39 L40 D258 I262	S39-K43 PolarHBondContact O-N 2.71Å; L40-K43 WeakPolarHBondContact O-CB 3.39Å; L40-K43 PolarHBondContact O-N 3.07Å; K43-D258 IonicContact NZ-OD1 2.67Å; K43-D258 PolarHBondContact NZ-OD1 3.38Å; K43-D258 IonicContact NZ-OD2 3.12Å; K43-D258 PolarHBondContact NZ-OD2 3.24Å; K43-D258 VanDerWaalsContact NZ-OD2 3.11Å; K43-I262 HydrophobicContact CD-CD1 3.93Å
44	Y	98.6	Very high	98.3	Very high	17 Å²	17	21.3 Å²	21.3	7%	0.067	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	46.1	-176.8	-64	-84.3	0	0	0	113.3	L40 V41 R42 C46 A243 F245 A246 Y248 C255 D258	L40-Y44 HydrophobicContact CD1-CD2 4.32Å; L40-Y44 HydrophobicContact CD1-CE2 3.85Å; L40-Y44 WeakPolarHBondContact O-CD2 3.45Å; V41-Y44 CarbonylContact O-C 3.34Å; V41-Y44 PolarHBondContact O-N 2.94Å; V41-Y44 VanDerWaalsContact O-N 3.08Å; R42-Y44 PolarHBondContact O-N 3.43Å; R42-Y44 VanDerWaalsContact O-N 3.16Å; Y44-C46 PolarHBondContact O-N 2.71Å; Y44-A243 HydrophobicContact CD1-CB 3.44Å; Y44-A243 VanDerWaalsContact CD1-CB 3.44Å; Y44-A243 HydrophobicContact CE1-CB 3.88Å; Y44-A243 HydrophobicContact CG-CB 3.86Å; Y44-F245 CarbonylContact O-C 3.24Å; Y44-F245 WeakPolarHBondContact O-CB 3.47Å; Y44-A246 HydrophobicContact CD1-CB 4.24Å; Y44-A246 PolarHBondContact O-N 3.42Å; Y44-Y248 HydrophobicContact CD1-CE2 4.46Å; Y44-C255 HydrophobicContact CE1-CB 4.1Å; Y44-C255 HydrophobicContact CE2-CB 3.93Å; Y44-C255 WeakPolarHBondContact OH-CA 3.37Å; Y44-C255 WeakPolarHBondContact OH-CB 3.47Å; Y44-C255 PolarHBondContact OH-N 3.32Å; Y44-D258 WeakPolarHBondContact CE2-OD2 3.34Å; Y44-D258 PolarHBondContact OH-OD2 3.14Å
45	N	97.7	Very high	98.4	Very high	92 Å²	92	19.7 Å²	19.7	49%	0.492	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	32.4	170.8	-61.2	-25.9	0	0	0	115.3	K24 R42	K24-N45 WeakPolarHBondContact CE-O 3.33Å; K24-N45 PolarHBondContact NZ-O 3.45Å; R42-N45 PolarHBondContact O-N 2.93Å
46	C	98.3	Very high	98.4	Very high	10 Å²	10	18.8 Å²	18.8	7%	0.068	9%	0.094	C	C	.	.			trans	-82.9	123.2	165.5	-169.7	0	0	0	0	110.3	C26 V41 Y44 I48 C49 F245	C26-C46 VanDerWaalsContact CB-SG 3.57Å; C26-C46 PolarHBondContact N-SG 3.37Å; C26-C46 VanDerWaalsContact N-SG 3.39Å; V41-C46 HydrophobicContact CB-CB 4Å; V41-C46 HydrophobicContact CG2-CB 3.94Å; V41-C46 WeakPolarHBondContact O-CB 3.31Å; V41-C46 PolarHBondContact O-N 2.93Å; Y44-C46 PolarHBondContact O-N 2.71Å; C46-I48 PolarHBondContact SG-O 3.07Å; C46-I48 VanDerWaalsContact SG-O 3.37Å; C46-C49 VanDerWaalsContact SG-SG 3.69Å; C46-F245 HydrophobicContact CB-CD2 4.05Å
47	D	98	Very high	98.3	Very high	31 Å²	31	20.7 Å²	20.7	17%	0.166	11%	0.105	C	C	.	.			trans	-81.1	-44	-173.4	-56.9	-67.1	0	0	0	111.6	M16 K21 L23 K24 P78	M16-D47 HydrophobicContact CE-CB 3.93Å; K21-D47 IonicContact NZ-OD1 2.92Å; K21-D47 PolarHBondContact NZ-OD1 3.02Å; K21-D47 IonicContact NZ-OD2 2.9Å; L23-D47 HydrophobicContact CD2-CB 4.43Å; K24-D47 WeakPolarHBondContact CB-OD2 3.38Å; K24-D47 PolarHBondContact N-OD2 2.89Å; K24-D47 PolarHBondContact O-N 2.78Å; D47-P78 WeakPolarHBondContact O-CD 3.47Å
48	I	98.5	Very high	98.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139	-179.7	-55.3	172.5	0	0	0	110.1	I13 M16 F17 L23 K24 I25 C26 C46 F50 I80	I13-I48 HydrophobicContact CG2-CD1 3.71Å; M16-I48 HydrophobicContact CE-CG1 4.26Å; F17-I48 HydrophobicContact CZ-CD1 4.43Å; L23-I48 HydrophobicContact CD1-CD1 3.76Å; K24-I48 PolarHBondContact O-N 2.75Å; I25-I48 WeakPolarHBondContact CA-O 3.32Å; I25-I48 HydrophobicContact CD1-CD1 4.32Å; I25-I48 HydrophobicContact CG1-CB 4.19Å; I25-I48 HydrophobicContact CG2-CB 4.21Å; I25-I48 HydrophobicContact CG2-CG2 4.49Å; C26-I48 PolarHBondContact N-O 2.9Å; C46-I48 PolarHBondContact SG-O 3.07Å; C46-I48 VanDerWaalsContact SG-O 3.37Å; I48-F50 HydrophobicContact CG2-CD2 4.3Å; I48-F50 HydrophobicContact CG2-CE2 3.89Å; I48-I80 HydrophobicContact CG2-CD1 4.47Å; I48-I80 HydrophobicContact CG2-CG1 3.74Å
49	C	98.8	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.5	175.4	-62.9	0	0	0	0	112.3	C26 R38 C46 P78 I80	C26-C49 HydrophobicContact CB-CB 4.23Å; R38-C49 HydrophobicContact CB-CB 4.05Å; R38-C49 HydrophobicContact CG-CB 3.87Å; C46-C49 VanDerWaalsContact SG-SG 3.69Å; C49-P78 PolarHBondContact N-O 3.35Å; C49-I80 PolarHBondContact O-N 2.9Å
50	F	98.9	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.4	176.3	-74.4	-121.3	0	0	0	110.7	I25 C26 P28 S33 R38 I48 I80 D106 W177 M233	I25-F50 HydrophobicContact CG2-CD2 3.85Å; I25-F50 HydrophobicContact CG2-CE2 3.56Å; C26-F50 WeakPolarHBondContact O-CD2 3.47Å; C26-F50 PolarHBondContact O-N 3.36Å; P28-F50 HydrophobicContact CB-CB 3.92Å; P28-F50 HydrophobicContact CG-CB 4.18Å; P28-F50 HydrophobicContact CG-CD1 4.22Å; P28-F50 HydrophobicContact CG-CG 4.47Å; S33-F50 WeakPolarHBondContact CB-O 3.08Å; S33-F50 PolarHBondContact OG-O 3.04Å; R38-F50 WeakPolarHBondContact CD-O 3.39Å; I48-F50 HydrophobicContact CG2-CD2 4.3Å; I48-F50 HydrophobicContact CG2-CE2 3.89Å; F50-I80 VanDerWaalsContact CA-O 3.3Å; F50-I80 WeakPolarHBondContact CA-O 3.33Å; F50-I80 HydrophobicContact CD1-CB 3.82Å; F50-I80 HydrophobicContact CD1-CG2 3.84Å; F50-I80 HydrophobicContact CD2-CB 4.09Å; F50-I80 HydrophobicContact CD2-CG1 4.23Å; F50-I80 HydrophobicContact CE1-CB 3.79Å; F50-I80 HydrophobicContact CE1-CG1 4.28Å; F50-I80 HydrophobicContact CE1-CG2 3.52Å; F50-I80 HydrophobicContact CE2-CB 4.02Å; F50-I80 HydrophobicContact CE2-CG1 3.8Å; F50-I80 HydrophobicContact CG-CB 3.98Å; F50-I80 HydrophobicContact CG-CG2 4.5Å; F50-I80 HydrophobicContact CZ-CB 3.87Å; F50-I80 HydrophobicContact CZ-CG1 3.83Å; F50-I80 HydrophobicContact CZ-CG2 3.9Å; F50-D106 HydrophobicContact CD1-CB 4.08Å; F50-D106 HydrophobicContact CE1-CB 3.64Å; F50-W177 HydrophobicContact CZ-CZ2 4.17Å; F50-M233 HydrophobicContact CD2-CE 4.03Å; F50-M233 HydrophobicContact CE1-CE 4.2Å; F50-M233 HydrophobicContact CE2-CE 3.75Å; F50-M233 HydrophobicContact CG-CE 4.43Å; F50-M233 HydrophobicContact CZ-CE 3.84Å
51	T	98.8	Very high	98	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-62.4	169.3	169.1	64.6	0	0	0	0	111.3	P28 S33 F70 L79 I80 V81 Q82	P28-T51 VanDerWaalsContact CA-O 3.26Å; P28-T51 WeakPolarHBondContact CA-O 3.42Å; P28-T51 WeakPolarHBondContact CB-O 3.34Å; S33-T51 PolarHBondContact OG-O 3.32Å; T51-F70 HydrophobicContact CG2-CD2 4.1Å; T51-F70 HydrophobicContact CG2-CE2 4.14Å; T51-L79 HydrophobicContact CG2-CD1 3.87Å; T51-L79 HydrophobicContact CG2-CG 4.43Å; T51-I80 PolarHBondContact N-O 3.49Å; T51-V81 HydrophobicContact CG2-CB 4.3Å; T51-V81 HydrophobicContact CG2-CG1 4.26Å; T51-V81 HydrophobicContact CG2-CG2 4.01Å; T51-V81 WeakPolarHBondContact OG1-CA 3.05Å; T51-Q82 PolarHBondContact OG1-N 2.65Å
52	P	98.1	Very high	97.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-56.9	161.4	159.3	-21.2	36.2	0	0	0	110.2	S33 K34 I54	S33-P52 WeakPolarHBondContact O-CD 3.49Å; S33-P52 VanDerWaalsContact OG-N 3.15Å; K34-P52 HydrophobicContact CG-CG 3.83Å; P52-I54 WeakPolarHBondContact O-CG1 3.2Å; P52-I54 PolarHBondContact O-N 3.06Å
53	M	97.7	Very high	97.7	Very high	14 Å²	14	38 Å²	38	7%	0.069	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-66.5	120.7	171.5	-177.1	-172	76.1	0	0	109.8	V30 A84 N108 C111 W115	V30-M53 HydrophobicContact CG2-CB 3.99Å; V30-M53 HydrophobicContact CG2-CE 4.37Å; M53-A84 HydrophobicContact CE-CB 4.46Å; M53-A84 HydrophobicContact CG-CB 3.97Å; M53-A84 HydrophobicContact SD-CB 4.01Å; M53-N108 HydrophobicContact CG-CB 4.14Å; M53-N108 HydrophobicContact SD-CB 4.05Å; M53-N108 PolarHBondContact SD-ND2 3.06Å; M53-C111 HydrophobicContact SD-CB 4.13Å; M53-W115 HydrophobicContact CE-CH2 3.66Å; M53-W115 HydrophobicContact CE-CZ2 3.9Å
54	I	98.1	Very high	97.5	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.4	-179.2	-54.1	-175.8	0	0	0	109.5	P52 A56 F59 E69 F70 V81 Q82 F83 A84	P52-I54 WeakPolarHBondContact O-CG1 3.2Å; P52-I54 PolarHBondContact O-N 3.06Å; I54-A56 PolarHBondContact O-N 2.76Å; I54-F59 HydrophobicContact CG2-CB 3.84Å; I54-F59 HydrophobicContact CG2-CD2 3.75Å; I54-F59 HydrophobicContact CG2-CG 4.1Å; I54-E69 HydrophobicContact CD1-CB 4.26Å; I54-E69 HydrophobicContact CG1-CB 4.19Å; I54-E69 HydrophobicContact CG2-CB 4.14Å; I54-F70 HydrophobicContact CD1-CB 3.93Å; I54-F70 HydrophobicContact CD1-CD2 4.3Å; I54-V81 HydrophobicContact CD1-CG1 3.98Å; I54-Q82 PolarHBondContact N-O 3.01Å; I54-F83 HydrophobicContact CB-CD1 3.92Å; I54-F83 HydrophobicContact CB-CE1 4.03Å; I54-F83 HydrophobicContact CG2-CD1 4.14Å; I54-F83 HydrophobicContact CG2-CE1 3.93Å; I54-F83 CarbonylContact O-C 3.45Å; I54-F83 VanDerWaalsContact O-CA 3.27Å; I54-F83 WeakPolarHBondContact O-CA 3.14Å; I54-A84 PolarHBondContact O-N 3.34Å
55	V	98	Very high	97.1	Very high	28 Å²	28	41.4 Å²	41.4	17%	0.17	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	114.3	174.2	-179.9	0	0	0	0	109.2	T57 D58 F59 Y121	V55-T57 PolarHBondContact O-N 3.26Å; V55-D58 HydrophobicContact CB-CB 4.29Å; V55-D58 HydrophobicContact CG1-CB 4.36Å; V55-D58 PolarHBondContact O-N 3Å; V55-F59 WeakPolarHBondContact O-CB 3.4Å; V55-F59 PolarHBondContact O-N 2.91Å; V55-Y121 HydrophobicContact CG1-CE2 4.16Å
56	A	98.1	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-42.4	-170.7	0	0	0	0	0	112.9	I54 D58 F59 L60 F83 A84 A85 T90 A94	I54-A56 PolarHBondContact O-N 2.76Å; A56-D58 PolarHBondContact O-N 3.29Å; A56-F59 WeakPolarHBondContact O-CB 3.43Å; A56-F59 PolarHBondContact O-N 3.47Å; A56-L60 WeakPolarHBondContact O-CG 3.21Å; A56-L60 PolarHBondContact O-N 2.88Å; A56-F83 HydrophobicContact CB-CB 4.3Å; A56-F83 HydrophobicContact CB-CD1 3.96Å; A56-F83 HydrophobicContact CB-CG 4.29Å; A56-A84 PolarHBondContact N-O 3.14Å; A56-A85 HydrophobicContact CB-CB 4.07Å; A56-T90 HydrophobicContact CB-CG2 3.82Å; A56-A94 HydrophobicContact CB-CB 4.02Å
57	T	97.4	Very high	96.6	Very high	45 Å²	45	44.3 Å²	44.3	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-42.6	178.2	-47.6	0	0	0	0	112.4	V55 R61	V55-T57 PolarHBondContact O-N 3.26Å; T57-R61 VanDerWaalsContact O-CB 3.25Å; T57-R61 WeakPolarHBondContact O-CB 3.25Å; T57-R61 PolarHBondContact O-N 3.44Å
58	D	96.8	Very high	96.2	Very high	63 Å²	63	45.9 Å²	45.9	34%	0.337	24%	0.235	S	C	.	.	H	α-helix	trans	-69.8	-39.4	179.1	-71	-30.9	0	0	0	111.5	V55 A56 L60 R61 S62 A65	V55-D58 HydrophobicContact CB-CB 4.29Å; V55-D58 HydrophobicContact CG1-CB 4.36Å; V55-D58 PolarHBondContact O-N 3Å; A56-D58 PolarHBondContact O-N 3.29Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 2.71Å; D58-R61 PolarHBondContact O-N 3.18Å; D58-R61 IonicContact OD1-CZ 3.65Å; D58-R61 IonicContact OD1-NH2 3.87Å; D58-R61 PolarHBondContact OD1-NH2 3.13Å; D58-S62 PolarHBondContact O-N 2.98Å; D58-A65 HydrophobicContact CB-CB 4.45Å
59	F	97.5	Very high	95.8	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-40.3	176.6	-178	-92.5	0	0	0	112.9	I54 V55 A56 R66 F70 F83 A94 V97 V98	I54-F59 HydrophobicContact CG2-CB 3.84Å; I54-F59 HydrophobicContact CG2-CD2 3.75Å; I54-F59 HydrophobicContact CG2-CG 4.1Å; V55-F59 WeakPolarHBondContact O-CB 3.4Å; V55-F59 PolarHBondContact O-N 2.91Å; A56-F59 WeakPolarHBondContact O-CB 3.43Å; A56-F59 PolarHBondContact O-N 3.47Å; F59-R66 HydrophobicContact CD2-CB 3.81Å; F59-R66 HydrophobicContact CD2-CG 3.88Å; F59-R66 HydrophobicContact CE1-CG 4.48Å; F59-R66 HydrophobicContact CE2-CB 3.86Å; F59-R66 HydrophobicContact CE2-CG 3.36Å; F59-R66 HydrophobicContact CG-CB 4.42Å; F59-R66 HydrophobicContact CZ-CB 4.45Å; F59-R66 VanDerWaalsContact CZ-CD 3.44Å; F59-R66 HydrophobicContact CZ-CG 3.69Å; F59-R66 PolarHBondContact O-NH1 3.21Å; F59-F70 HydrophobicContact CE2-CB 3.71Å; F59-F70 HydrophobicContact CE2-CD1 4.5Å; F59-F70 HydrophobicContact CE2-CG 4.25Å; F59-F83 HydrophobicContact CB-CE1 4.32Å; F59-F83 HydrophobicContact CD1-CE1 4.01Å; F59-F83 HydrophobicContact CD1-CZ 4.2Å; F59-F83 HydrophobicContact CD2-CE1 4.37Å; F59-F83 HydrophobicContact CE1-CE1 4.44Å; F59-F83 HydrophobicContact CE1-CZ 4.22Å; F59-F83 AromaticContact CG-CE1 3.99Å; F59-F83 HydrophobicContact CG-CE1 3.99Å; F59-A94 HydrophobicContact CD1-CB 4.39Å; F59-V97 HydrophobicContact CE1-CB 4.03Å; F59-V97 HydrophobicContact CE1-CG1 3.62Å; F59-V97 HydrophobicContact CZ-CG1 4.08Å; F59-V98 HydrophobicContact CE1-CG1 3.77Å; F59-V98 HydrophobicContact CE2-CG1 4.27Å; F59-V98 HydrophobicContact CZ-CG1 3.38Å
60	L	97.4	Very high	95.7	Very high	56 Å²	56	50.3 Å²	50.3	29%	0.293	26%	0.256	S	S	.	.	H	α-helix	trans	-73.1	-40.9	176.5	-72.2	174.6	0	0	0	112.2	A56 D58 T90 D93 A94 V97	A56-L60 WeakPolarHBondContact O-CG 3.21Å; A56-L60 PolarHBondContact O-N 2.88Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 2.71Å; L60-T90 HydrophobicContact CD1-CG2 3.94Å; L60-D93 HydrophobicContact CD1-CB 3.73Å; L60-D93 HydrophobicContact CD2-CB 4.12Å; L60-A94 HydrophobicContact CD1-CB 4.31Å; L60-A94 HydrophobicContact CD2-CB 4.3Å; L60-A94 HydrophobicContact CG-CB 4.18Å; L60-V97 HydrophobicContact CD2-CG2 4.03Å
61	R	96.8	Very high	95.5	Very high	188 Å²	188	53.2 Å²	53.2	71%	0.709	27%	0.274	S	S	*	.	H	α-helix	trans	-76	-32.2	-173.2	-177.6	174.2	59.8	-171.3	-1.3	113.9	T57 D58	T57-R61 VanDerWaalsContact O-CB 3.25Å; T57-R61 WeakPolarHBondContact O-CB 3.25Å; T57-R61 PolarHBondContact O-N 3.44Å; D58-R61 PolarHBondContact O-N 3.18Å; D58-R61 IonicContact OD1-CZ 3.65Å; D58-R61 IonicContact OD1-NH2 3.87Å; D58-R61 PolarHBondContact OD1-NH2 3.13Å
62	S	95.9	Very high	95.4	Very high	43 Å²	43	55.1 Å²	55.1	30%	0.301	29%	0.285	S	S	.	.			trans	-131.2	117.1	-169.2	-177.3	0	0	0	0	112.5	D58 K64 A65 R66	D58-S62 PolarHBondContact O-N 2.98Å; S62-K64 VanDerWaalsContact C-N 3.26Å; S62-K64 PolarHBondContact O-N 2.87Å; S62-K64 PolarHBondContact OG-N 3.1Å; S62-A65 PolarHBondContact O-N 3.37Å; S62-A65 VanDerWaalsContact O-N 3.14Å; S62-A65 PolarHBondContact OG-N 3.13Å; S62-R66 PolarHBondContact O-N 3.05Å
63	V	94.1	Very high	95.3	Very high	85 Å²	85	57.4 Å²	57.4	52%	0.515	30%	0.297	S	S	.	.	H	α-helix	trans	-54.3	-45.1	170.7	-176.5	0	0	0	0	110.5	A65 R66 D67	V63-A65 VanDerWaalsContact C-N 3.35Å; V63-A65 PolarHBondContact O-N 3.04Å; V63-R66 WeakPolarHBondContact O-CB 3.46Å; V63-R66 PolarHBondContact O-N 3.16Å; V63-D67 WeakPolarHBondContact CG1-OD2 3.27Å; V63-D67 PolarHBondContact O-N 3.29Å
64	K	93.1	Very high	95.2	Very high	176 Å²	176	65.7 Å²	65.7	77%	0.765	34%	0.336	S	S	*	.	H	α-helix	trans	-60.2	-41.5	177.9	-176.8	179.6	178.6	179.8	0	112.7	S62 S68	S62-K64 VanDerWaalsContact C-N 3.26Å; S62-K64 PolarHBondContact O-N 2.87Å; S62-K64 PolarHBondContact OG-N 3.1Å; K64-S68 WeakPolarHBondContact O-CB 3.33Å; K64-S68 PolarHBondContact O-N 3.39Å
65	A	90.3	Very high	95.1	Very high	29 Å²	29	74.6 Å²	74.6	24%	0.24	37%	0.369	C	S	.	.	H	α-helix	trans	-66.7	-43.9	176.5	0	0	0	0	0	110.8	D58 S62 V63 S68 E69	D58-A65 HydrophobicContact CB-CB 4.45Å; S62-A65 PolarHBondContact O-N 3.37Å; S62-A65 VanDerWaalsContact O-N 3.14Å; S62-A65 PolarHBondContact OG-N 3.13Å; V63-A65 VanDerWaalsContact C-N 3.35Å; V63-A65 PolarHBondContact O-N 3.04Å; A65-S68 PolarHBondContact O-N 3.31Å; A65-E69 WeakPolarHBondContact O-CB 3.41Å; A65-E69 WeakPolarHBondContact O-CG 3.41Å; A65-E69 PolarHBondContact O-N 3.2Å
66	R	94.2	Very high	95	Very high	65 Å²	65	73.3 Å²	73.3	25%	0.245	36%	0.361	C	S	.	.	H	α-helix	trans	-56.9	-50.9	175.6	168.4	162.9	70.1	-132.3	8.8	112.3	F59 S62 V63 S68 E69 F70	F59-R66 HydrophobicContact CD2-CB 3.81Å; F59-R66 HydrophobicContact CD2-CG 3.88Å; F59-R66 HydrophobicContact CE1-CG 4.48Å; F59-R66 HydrophobicContact CE2-CB 3.86Å; F59-R66 HydrophobicContact CE2-CG 3.36Å; F59-R66 HydrophobicContact CG-CB 4.42Å; F59-R66 HydrophobicContact CZ-CB 4.45Å; F59-R66 VanDerWaalsContact CZ-CD 3.44Å; F59-R66 HydrophobicContact CZ-CG 3.69Å; F59-R66 PolarHBondContact O-NH1 3.21Å; S62-R66 PolarHBondContact O-N 3.05Å; V63-R66 WeakPolarHBondContact O-CB 3.46Å; V63-R66 PolarHBondContact O-N 3.16Å; R66-S68 VanDerWaalsContact C-N 3.26Å; R66-S68 PolarHBondContact O-N 2.82Å; R66-E69 PolarHBondContact O-N 3Å; R66-F70 PolarHBondContact O-N 2.98Å
67	D	91.6	Very high	94.9	Very high	99 Å²	99	77.8 Å²	77.8	53%	0.529	38%	0.378	S	S	.	.	H	α-helix	trans	-67.2	-27.7	-177.7	-60.5	-13.1	0	0	0	112.4	V63	V63-D67 WeakPolarHBondContact CG1-OD2 3.27Å; V63-D67 PolarHBondContact O-N 3.29Å
68	S	89.4	Confident	94.9	Very high	64 Å²	64	77.1 Å²	77.1	45%	0.448	37%	0.374	S	S	.	.	H	α-helix	trans	-75.2	-38.8	175.9	174.9	0	0	0	0	113.3	K34 K64 A65 R66	K34-S68 PolarHBondContact NZ-O 2.95Å; K64-S68 WeakPolarHBondContact O-CB 3.33Å; K64-S68 PolarHBondContact O-N 3.39Å; A65-S68 PolarHBondContact O-N 3.31Å; R66-S68 VanDerWaalsContact C-N 3.26Å; R66-S68 PolarHBondContact O-N 2.82Å
69	E	90.5	Very high	95	Very high	69 Å²	69	74.1 Å²	74.1	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-95	-30.9	-171.5	-63.1	-51.8	127	0	0	113.2	I54 A65 R66	I54-E69 HydrophobicContact CD1-CB 4.26Å; I54-E69 HydrophobicContact CG1-CB 4.19Å; I54-E69 HydrophobicContact CG2-CB 4.14Å; A65-E69 WeakPolarHBondContact O-CB 3.41Å; A65-E69 WeakPolarHBondContact O-CG 3.41Å; A65-E69 PolarHBondContact O-N 3.2Å; R66-E69 PolarHBondContact O-N 3Å
70	F	96.2	Very high	95.1	Very high	25 Å²	25	74 Å²	74	11%	0.11	36%	0.358	C	S	.	.			trans	-118.6	117.3	-177.3	-176.7	-111	0	0	0	112	T51 I54 F59 R66 T72 L79 V81 V98 F101	T51-F70 HydrophobicContact CG2-CD2 4.1Å; T51-F70 HydrophobicContact CG2-CE2 4.14Å; I54-F70 HydrophobicContact CD1-CB 3.93Å; I54-F70 HydrophobicContact CD1-CD2 4.3Å; F59-F70 HydrophobicContact CE2-CB 3.71Å; F59-F70 HydrophobicContact CE2-CD1 4.5Å; F59-F70 HydrophobicContact CE2-CG 4.25Å; R66-F70 PolarHBondContact O-N 2.98Å; F70-T72 HydrophobicContact CE1-CG2 4.08Å; F70-T72 HydrophobicContact CZ-CG2 3.78Å; F70-L79 HydrophobicContact CE2-CD2 4.24Å; F70-V81 HydrophobicContact CD2-CG1 4.45Å; F70-V81 HydrophobicContact CD2-CG2 4.22Å; F70-V81 HydrophobicContact CE2-CG2 3.57Å; F70-V81 HydrophobicContact CZ-CG2 4.28Å; F70-V98 HydrophobicContact CE1-CG1 4.41Å; F70-V98 HydrophobicContact CZ-CG1 4.47Å; F70-F101 HydrophobicContact CE1-CB 3.86Å; F70-F101 HydrophobicContact CE1-CG 4.36Å; F70-F101 HydrophobicContact CZ-CB 3.81Å
71	T	95.4	Very high	95.1	Very high	61 Å²	61	71.3 Å²	71.3	37%	0.374	34%	0.344	S	S	.	.			trans	-138.5	140.4	171.9	44.1	0	0	0	0	108.1	R38	R38-T71 PolarHBondContact NH2-O 3.12Å
72	T	97.6	Very high	95.2	Very high	40 Å²	40	62.4 Å²	62.4	25%	0.245	31%	0.31	C	S	.	.			trans	-152.2	173	178.7	-168.8	0	0	0	0	110.6	F70 L79 F101	F70-T72 HydrophobicContact CE1-CG2 4.08Å; F70-T72 HydrophobicContact CZ-CG2 3.78Å; T72-L79 WeakPolarHBondContact OG1-CD2 3.45Å; T72-F101 HydrophobicContact CG2-CB 3.96Å
73	N	96	Very high	95.4	Very high	49 Å²	49	60.4 Å²	60.4	26%	0.262	30%	0.296	S	S	.	.			trans	-148.2	176.4	171	65.7	43.6	0	0	0	110.2	L35 R75 D76	L35-N73 HydrophobicContact CD2-CB 4.47Å; N73-R75 PolarHBondContact O-N 2.88Å; N73-R75 WeakPolarHBondContact OD1-CA 3.48Å; N73-R75 WeakPolarHBondContact OD1-CB 3.47Å; N73-R75 PolarHBondContact OD1-N 3.17Å; N73-D76 PolarHBondContact O-N 3.32Å; N73-D76 VanDerWaalsContact O-N 3.12Å; N73-D76 PolarHBondContact OD1-N 2.97Å; N73-D76 VanDerWaalsContact OD1-N 3.09Å
74	E	94.6	Very high	95.6	Very high	188 Å²	188	56.3 Å²	56.3	88%	0.879	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.5	-177	-62.5	-179.5	170.4	0	0	114.2
75	R	95.2	Very high	95.8	Very high	191 Å²	191	48 Å²	48	72%	0.721	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.2	-179.9	-64.8	-174.6	-78.3	-172.7	-2.3	113	N73 R77	N73-R75 PolarHBondContact O-N 2.88Å; N73-R75 WeakPolarHBondContact OD1-CA 3.48Å; N73-R75 WeakPolarHBondContact OD1-CB 3.47Å; N73-R75 PolarHBondContact OD1-N 3.17Å; R75-R77 VanDerWaalsContact C-N 3.31Å; R75-R77 PolarHBondContact O-N 3.13Å
76	D	97.1	Very high	96.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.			trans	-91.8	64.6	179.8	-173.4	24.9	0	0	0	111.4	L35 R38 R42 N73 L79	L35-D76 HydrophobicContact CD1-CB 3.68Å; L35-D76 WeakPolarHBondContact CD1-OD2 3.46Å; R38-D76 IonicContact CZ-OD2 2.63Å; R38-D76 IonicContact NE-OD1 2.8Å; R38-D76 IonicContact NE-OD2 2.9Å; R38-D76 PolarHBondContact NE-OD2 3.23Å; R38-D76 IonicContact NH2-OD2 2.77Å; R38-D76 PolarHBondContact NH2-OD2 3.14Å; R42-D76 IonicContact CZ-OD1 3.84Å; R42-D76 IonicContact NE-OD1 3.58Å; R42-D76 PolarHBondContact NE-OD1 2.98Å; R42-D76 IonicContact NH2-OD1 3.4Å; R42-D76 PolarHBondContact NH2-OD1 2.9Å; N73-D76 PolarHBondContact O-N 3.32Å; N73-D76 VanDerWaalsContact O-N 3.12Å; N73-D76 PolarHBondContact OD1-N 2.97Å; N73-D76 VanDerWaalsContact OD1-N 3.09Å; D76-L79 WeakPolarHBondContact O-CB 3.41Å
77	R	96.6	Very high	96.3	Very high	95 Å²	95	49.2 Å²	49.2	36%	0.358	24%	0.24	S	C	.	.			trans	-140.7	145.8	175.9	-65.4	-171.3	174.8	-99.7	2.3	110.6	R42 R75 P100 F101 S102 D103	R42-R77 PolarHBondContact NH1-O 2.97Å; R75-R77 VanDerWaalsContact C-N 3.31Å; R75-R77 PolarHBondContact O-N 3.13Å; R77-P100 PolarHBondContact NH2-O 2.96Å; R77-F101 VanDerWaalsContact NH2-C 3.27Å; R77-S102 PolarHBondContact NH1-O 3.39Å; R77-D103 WeakPolarHBondContact CG-OD2 3.5Å; R77-D103 IonicContact CZ-OD1 2.74Å; R77-D103 IonicContact NH1-OD1 3.65Å; R77-D103 PolarHBondContact NH1-OD1 3.37Å; R77-D103 IonicContact NH1-OD2 3.84Å; R77-D103 PolarHBondContact NH1-OD2 3Å
78	P	97.3	Very high	96.6	Very high	30 Å²	30	45.2 Å²	45.2	20%	0.195	22%	0.221	C	C	.	.	S	Bend	cis	-74.1	128.9	-0.4	-16.4	30.5	0	0	0	113.6	I13 M16 R42 D47 C49 D103	I13-P78 HydrophobicContact CD1-CB 4.05Å; I13-P78 HydrophobicContact CG1-CB 3.81Å; I13-P78 HydrophobicContact CG1-CG 4.43Å; M16-P78 HydrophobicContact CE-CG 4.48Å; M16-P78 HydrophobicContact SD-CG 3.86Å; R42-P78 PolarHBondContact NH1-O 3.27Å; R42-P78 VanDerWaalsContact NH2-C 3.33Å; R42-P78 PolarHBondContact NH2-O 3.2Å; D47-P78 WeakPolarHBondContact O-CD 3.47Å; C49-P78 PolarHBondContact N-O 3.35Å; P78-D103 VanDerWaalsContact CA-OD2 3.24Å; P78-D103 WeakPolarHBondContact CA-OD2 3.48Å; P78-D103 HydrophobicContact CB-CB 4.46Å
79	L	98.5	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131	-176.2	173.5	67.2	0	0	0	112	T51 F70 T72 D76 S102 D103 G104	T51-L79 HydrophobicContact CG2-CD1 3.87Å; T51-L79 HydrophobicContact CG2-CG 4.43Å; F70-L79 HydrophobicContact CE2-CD2 4.24Å; T72-L79 WeakPolarHBondContact OG1-CD2 3.45Å; D76-L79 WeakPolarHBondContact O-CB 3.41Å; L79-S102 WeakPolarHBondContact O-CB 3.48Å; L79-D103 PolarHBondContact N-OD2 3.1Å; L79-D103 PolarHBondContact O-N 3.14Å; L79-G104 PolarHBondContact O-N 3.42Å
80	I	98.8	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.8	175.4	-46.8	-58.7	0	0	0	110.1	I13 I48 C49 F50 T51 G104 D106 W177	I13-I80 HydrophobicContact CD1-CD1 3.62Å; I48-I80 HydrophobicContact CG2-CD1 4.47Å; I48-I80 HydrophobicContact CG2-CG1 3.74Å; C49-I80 PolarHBondContact O-N 2.9Å; F50-I80 VanDerWaalsContact CA-O 3.3Å; F50-I80 WeakPolarHBondContact CA-O 3.33Å; F50-I80 HydrophobicContact CD1-CB 3.82Å; F50-I80 HydrophobicContact CD1-CG2 3.84Å; F50-I80 HydrophobicContact CD2-CB 4.09Å; F50-I80 HydrophobicContact CD2-CG1 4.23Å; F50-I80 HydrophobicContact CE1-CB 3.79Å; F50-I80 HydrophobicContact CE1-CG1 4.28Å; F50-I80 HydrophobicContact CE1-CG2 3.52Å; F50-I80 HydrophobicContact CE2-CB 4.02Å; F50-I80 HydrophobicContact CE2-CG1 3.8Å; F50-I80 HydrophobicContact CG-CB 3.98Å; F50-I80 HydrophobicContact CG-CG2 4.5Å; F50-I80 HydrophobicContact CZ-CB 3.87Å; F50-I80 HydrophobicContact CZ-CG1 3.83Å; F50-I80 HydrophobicContact CZ-CG2 3.9Å; T51-I80 PolarHBondContact N-O 3.49Å; I80-G104 WeakPolarHBondContact CA-O 3.34Å; I80-D106 HydrophobicContact CG2-CB 3.72Å; I80-W177 HydrophobicContact CD1-CH2 3.62Å; I80-W177 HydrophobicContact CD1-CZ2 3.83Å; I80-W177 HydrophobicContact CG1-CH2 4.24Å; I80-W177 HydrophobicContact CG1-CZ2 3.96Å; I80-W177 HydrophobicContact CG2-CZ2 4.48Å
81	V	98.8	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.9	176.1	-173.4	0	0	0	0	109.8	T51 I54 F70 F83 V98 G104 V105 D106	T51-V81 HydrophobicContact CG2-CB 4.3Å; T51-V81 HydrophobicContact CG2-CG1 4.26Å; T51-V81 HydrophobicContact CG2-CG2 4.01Å; T51-V81 WeakPolarHBondContact OG1-CA 3.05Å; I54-V81 HydrophobicContact CD1-CG1 3.98Å; F70-V81 HydrophobicContact CD2-CG1 4.45Å; F70-V81 HydrophobicContact CD2-CG2 4.22Å; F70-V81 HydrophobicContact CE2-CG2 3.57Å; F70-V81 HydrophobicContact CZ-CG2 4.28Å; V81-F83 HydrophobicContact CB-CE2 4.25Å; V81-F83 HydrophobicContact CG1-CD2 4.27Å; V81-F83 HydrophobicContact CG1-CE1 4.17Å; V81-F83 HydrophobicContact CG1-CE2 3.71Å; V81-F83 HydrophobicContact CG1-CZ 3.65Å; V81-V98 HydrophobicContact CB-CG2 4.08Å; V81-V98 HydrophobicContact CG1-CG1 4.34Å; V81-V98 HydrophobicContact CG1-CG2 4.39Å; V81-V98 HydrophobicContact CG2-CB 4.05Å; V81-V98 HydrophobicContact CG2-CG1 4.4Å; V81-V98 HydrophobicContact CG2-CG2 4.02Å; V81-G104 PolarHBondContact N-O 2.89Å; V81-V105 CarbonylContact O-C 3.55Å; V81-V105 VanDerWaalsContact O-CA 3.28Å; V81-V105 WeakPolarHBondContact O-CA 3.37Å; V81-D106 PolarHBondContact O-N 3.03Å
82	Q	98.9	Very high	97.7	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.5	177.3	-176.5	176.4	83.5	0	0	111.3	P28 T51 I54 D106 N108	P28-Q82 HydrophobicContact CB-CB 4.07Å; P28-Q82 HydrophobicContact CB-CG 4.42Å; P28-Q82 VanDerWaalsContact CB-OE1 3.24Å; P28-Q82 HydrophobicContact CG-CB 4.49Å; P28-Q82 VanDerWaalsContact CG-OE1 3.3Å; T51-Q82 PolarHBondContact OG1-N 2.65Å; I54-Q82 PolarHBondContact N-O 3.01Å; Q82-D106 CarbonylContact C-O 3.57Å; Q82-D106 WeakPolarHBondContact CA-O 3.48Å; Q82-D106 HydrophobicContact CB-CB 4.26Å; Q82-D106 HydrophobicContact CG-CB 4.33Å; Q82-D106 WeakPolarHBondContact CG-OD2 3.39Å; Q82-D106 PolarHBondContact NE2-OD2 3.28Å; Q82-N108 HydrophobicContact CG-CB 3.96Å; Q82-N108 PolarHBondContact OE1-ND2 3.12Å
83	F	98.8	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.1	174.1	-72	-66.4	0	0	0	113.1	I54 A56 F59 V81 L91 A94 V98 V105 D106 N108	I54-F83 HydrophobicContact CB-CD1 3.92Å; I54-F83 HydrophobicContact CB-CE1 4.03Å; I54-F83 HydrophobicContact CG2-CD1 4.14Å; I54-F83 HydrophobicContact CG2-CE1 3.93Å; I54-F83 CarbonylContact O-C 3.45Å; I54-F83 VanDerWaalsContact O-CA 3.27Å; I54-F83 WeakPolarHBondContact O-CA 3.14Å; A56-F83 HydrophobicContact CB-CB 4.3Å; A56-F83 HydrophobicContact CB-CD1 3.96Å; A56-F83 HydrophobicContact CB-CG 4.29Å; F59-F83 HydrophobicContact CB-CE1 4.32Å; F59-F83 HydrophobicContact CD1-CE1 4.01Å; F59-F83 HydrophobicContact CD1-CZ 4.2Å; F59-F83 HydrophobicContact CD2-CE1 4.37Å; F59-F83 HydrophobicContact CE1-CE1 4.44Å; F59-F83 HydrophobicContact CE1-CZ 4.22Å; F59-F83 AromaticContact CG-CE1 3.99Å; F59-F83 HydrophobicContact CG-CE1 3.99Å; V81-F83 HydrophobicContact CB-CE2 4.25Å; V81-F83 HydrophobicContact CG1-CD2 4.27Å; V81-F83 HydrophobicContact CG1-CE1 4.17Å; V81-F83 HydrophobicContact CG1-CE2 3.71Å; V81-F83 HydrophobicContact CG1-CZ 3.65Å; F83-L91 HydrophobicContact CB-CD1 3.64Å; F83-L91 HydrophobicContact CD2-CD1 4.16Å; F83-L91 HydrophobicContact CG-CD1 4.24Å; F83-A94 HydrophobicContact CD1-CB 4.32Å; F83-A94 HydrophobicContact CD2-CB 4.33Å; F83-A94 HydrophobicContact CE1-CB 3.96Å; F83-A94 HydrophobicContact CE2-CB 3.95Å; F83-A94 HydrophobicContact CG-CB 4.5Å; F83-A94 HydrophobicContact CZ-CB 3.75Å; F83-V98 HydrophobicContact CE2-CG1 4.49Å; F83-V98 HydrophobicContact CE2-CG2 3.82Å; F83-V98 HydrophobicContact CZ-CG1 3.92Å; F83-V98 HydrophobicContact CZ-CG2 4.1Å; F83-V105 HydrophobicContact CD2-CB 4.44Å; F83-V105 HydrophobicContact CD2-CG1 4.03Å; F83-V105 HydrophobicContact CE2-CG1 3.84Å; F83-D106 PolarHBondContact N-O 3.46Å; F83-N108 PolarHBondContact O-N 3.4Å
84	A	98.5	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.4	157.1	0	0	0	0	0	108.2	M53 I54 A56 Y121	M53-A84 HydrophobicContact CE-CB 4.46Å; M53-A84 HydrophobicContact CG-CB 3.97Å; M53-A84 HydrophobicContact SD-CB 4.01Å; I54-A84 PolarHBondContact O-N 3.34Å; A56-A84 PolarHBondContact N-O 3.14Å; A84-Y121 HydrophobicContact CB-CD1 4.21Å; A84-Y121 HydrophobicContact CB-CD2 4.36Å; A84-Y121 HydrophobicContact CB-CG 3.97Å
85	A	98.2	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.			trans	-141.7	156	179	0	0	0	0	0	109.9	A56 L91 L107 Y121 M135	A56-A85 HydrophobicContact CB-CB 4.07Å; A85-L91 HydrophobicContact CB-CB 3.83Å; A85-L91 HydrophobicContact CB-CD1 4.01Å; A85-L91 HydrophobicContact CB-CG 4.41Å; A85-L107 HydrophobicContact CB-CD1 4.2Å; A85-Y121 VanDerWaalsContact C-CD1 3.45Å; A85-M135 HydrophobicContact CB-SD 4.26Å
86	H	96.6	Very high	98.2	Very high	77 Å²	77	23.3 Å²	23.3	36%	0.356	12%	0.12	S	C	.	.	S	Bend	trans	-126.2	4	179.5	64.4	-104.5	0	0	0	113	Y121	H86-Y121 HydrophobicContact CB-CD1 3.99Å; H86-Y121 HydrophobicContact CB-CE1 3.84Å; H86-Y121 AromaticContact CG-CE1 3.82Å; H86-Y121 AromaticContact ND1-CE1 3.07Å; H86-Y121 WeakPolarHBondContact ND1-CE1 3.42Å; H86-Y121 AromaticContact ND1-CZ 3.43Å; H86-Y121 PolarHBondContact ND1-OH 2.94Å
87	D	98.1	Very high	98.3	Very high	44 Å²	44	26 Å²	26	24%	0.235	14%	0.137	C	C	.	.	S	Bend	trans	-146.7	157.2	176	76.1	90.6	0	0	0	110.5	Q89 T90 L91	D87-Q89 PolarHBondContact OD1-N 2.82Å; D87-T90 WeakPolarHBondContact OD1-CB 3.48Å; D87-T90 PolarHBondContact OD1-N 2.97Å; D87-T90 PolarHBondContact OD1-OG1 2.92Å; D87-T90 WeakPolarHBondContact OD2-CB 3.25Å; D87-T90 PolarHBondContact OD2-OG1 2.81Å; D87-L91 PolarHBondContact O-N 2.79Å
88	A	98.4	Very high	98.3	Very high	15 Å²	15	21.6 Å²	21.6	12%	0.124	12%	0.12	C	C	.	.	H	α-helix	trans	-74.8	-37.1	-171.1	0	0	0	0	0	114.2	A92 M135 H138	A88-A92 WeakPolarHBondContact O-CB 3.42Å; A88-A92 PolarHBondContact O-N 3.23Å; A88-A92 VanDerWaalsContact O-N 3.09Å; A88-M135 HydrophobicContact CB-CG 4.15Å; A88-H138 HydrophobicContact CB-CB 3.95Å
89	Q	98.5	Very high	98.3	Very high	81 Å²	81	21.1 Å²	21.1	38%	0.379	12%	0.119	S	C	.	.	H	α-helix	trans	-70.7	-46.7	-176.9	-170.3	57.2	49.1	0	0	110.6	D87 L91 A92 D93 Q142	D87-Q89 PolarHBondContact OD1-N 2.82Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 2.77Å; Q89-A92 PolarHBondContact O-N 3.46Å; Q89-D93 PolarHBondContact NE2-OD1 2.84Å; Q89-D93 PolarHBondContact NE2-OD2 2.78Å; Q89-D93 WeakPolarHBondContact O-CB 3.5Å; Q89-D93 VanDerWaalsContact O-CG 3.28Å; Q89-D93 PolarHBondContact O-N 2.87Å; Q89-Q142 VanDerWaalsContact NE2-OE1 3.12Å
90	T	98.6	Very high	98.2	Very high	26 Å²	26	25.3 Å²	25.3	16%	0.16	15%	0.146	C	C	.	.	H	α-helix	trans	-58.2	-41.8	176.9	-59.4	0	0	0	0	111.9	A56 L60 D87 A94	A56-T90 HydrophobicContact CB-CG2 3.82Å; L60-T90 HydrophobicContact CD1-CG2 3.94Å; D87-T90 WeakPolarHBondContact OD1-CB 3.48Å; D87-T90 PolarHBondContact OD1-N 2.97Å; D87-T90 PolarHBondContact OD1-OG1 2.92Å; D87-T90 WeakPolarHBondContact OD2-CB 3.25Å; D87-T90 PolarHBondContact OD2-OG1 2.81Å; T90-A94 WeakPolarHBondContact O-CB 3.27Å; T90-A94 PolarHBondContact O-N 3.44Å; T90-A94 VanDerWaalsContact O-N 3.09Å
91	L	98.8	Very high	98.1	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-44.7	177.8	-178.2	65.2	0	0	0	111.5	F83 A85 D87 Q89 A94 A95 L107 M135 V139	F83-L91 HydrophobicContact CB-CD1 3.64Å; F83-L91 HydrophobicContact CD2-CD1 4.16Å; F83-L91 HydrophobicContact CG-CD1 4.24Å; A85-L91 HydrophobicContact CB-CB 3.83Å; A85-L91 HydrophobicContact CB-CD1 4.01Å; A85-L91 HydrophobicContact CB-CG 4.41Å; D87-L91 PolarHBondContact O-N 2.79Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 2.77Å; L91-A94 PolarHBondContact O-N 3.07Å; L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 2.94Å; L91-L107 HydrophobicContact CD1-CD1 4.37Å; L91-L107 HydrophobicContact CD2-CB 4.31Å; L91-L107 HydrophobicContact CD2-CD1 4.15Å; L91-L107 HydrophobicContact CD2-CD2 4.4Å; L91-M135 HydrophobicContact CD2-CB 3.75Å; L91-M135 HydrophobicContact CD2-CG 4.35Å; L91-M135 HydrophobicContact CD2-SD 4.22Å; L91-V139 HydrophobicContact CB-CG2 4.46Å; L91-V139 HydrophobicContact CD2-CG2 3.74Å; L91-V139 HydrophobicContact CG-CG2 3.66Å
92	A	98.6	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.4	-43.5	-178.6	0	0	0	0	0	112	A88 Q89 A94 A95 C96 H138 V139 Q142	A88-A92 WeakPolarHBondContact O-CB 3.42Å; A88-A92 PolarHBondContact O-N 3.23Å; A88-A92 VanDerWaalsContact O-N 3.09Å; Q89-A92 PolarHBondContact O-N 3.46Å; A92-A94 VanDerWaalsContact C-N 3.32Å; A92-A94 PolarHBondContact O-N 2.85Å; A92-A95 WeakPolarHBondContact O-CB 3.1Å; A92-A95 PolarHBondContact O-N 3.42Å; A92-A95 VanDerWaalsContact O-N 3.15Å; A92-C96 PolarHBondContact O-N 3.38Å; A92-C96 PolarHBondContact O-SG 3.48Å; A92-C96 VanDerWaalsContact O-SG 3.37Å; A92-H138 HydrophobicContact CB-CB 4.02Å; A92-V139 HydrophobicContact CB-CG2 4.36Å; A92-Q142 HydrophobicContact CB-CB 4.22Å; A92-Q142 HydrophobicContact CB-CG 4.27Å
93	D	98.6	Very high	98	Very high	64 Å²	64	32.5 Å²	32.5	34%	0.342	18%	0.18	S	C	.	.	H	α-helix	trans	-57.9	-45.6	173.7	-70.9	-22.4	0	0	0	111.1	L60 Q89 A95 C96 V97	L60-D93 HydrophobicContact CD1-CB 3.73Å; L60-D93 HydrophobicContact CD2-CB 4.12Å; Q89-D93 PolarHBondContact NE2-OD1 2.84Å; Q89-D93 PolarHBondContact NE2-OD2 2.78Å; Q89-D93 WeakPolarHBondContact O-CB 3.5Å; Q89-D93 VanDerWaalsContact O-CG 3.28Å; Q89-D93 PolarHBondContact O-N 2.87Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 2.93Å; D93-C96 PolarHBondContact O-N 3.35Å; D93-V97 WeakPolarHBondContact O-CG2 3.47Å; D93-V97 PolarHBondContact O-N 3.36Å
94	A	98.5	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-39.1	177.6	0	0	0	0	0	111.9	A56 F59 L60 F83 T90 L91 A92 V97 V98	A56-A94 HydrophobicContact CB-CB 4.02Å; F59-A94 HydrophobicContact CD1-CB 4.39Å; L60-A94 HydrophobicContact CD1-CB 4.31Å; L60-A94 HydrophobicContact CD2-CB 4.3Å; L60-A94 HydrophobicContact CG-CB 4.18Å; F83-A94 HydrophobicContact CD1-CB 4.32Å; F83-A94 HydrophobicContact CD2-CB 4.33Å; F83-A94 HydrophobicContact CE1-CB 3.96Å; F83-A94 HydrophobicContact CE2-CB 3.95Å; F83-A94 HydrophobicContact CG-CB 4.5Å; F83-A94 HydrophobicContact CZ-CB 3.75Å; T90-A94 WeakPolarHBondContact O-CB 3.27Å; T90-A94 PolarHBondContact O-N 3.44Å; T90-A94 VanDerWaalsContact O-N 3.09Å; L91-A94 PolarHBondContact O-N 3.07Å; A92-A94 VanDerWaalsContact C-N 3.32Å; A92-A94 PolarHBondContact O-N 2.85Å; A94-V97 PolarHBondContact O-N 2.76Å; A94-V98 WeakPolarHBondContact O-CG2 3.37Å; A94-V98 PolarHBondContact O-N 2.98Å
95	A	98.6	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-44.6	175.5	0	0	0	0	0	112	L91 A92 D93 V97 V98 A99 V105 V139 V143	L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 2.94Å; A92-A95 WeakPolarHBondContact O-CB 3.1Å; A92-A95 PolarHBondContact O-N 3.42Å; A92-A95 VanDerWaalsContact O-N 3.15Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 2.93Å; A95-V97 VanDerWaalsContact C-N 3.28Å; A95-V97 PolarHBondContact O-N 2.86Å; A95-V98 WeakPolarHBondContact O-CG2 3.28Å; A95-V98 PolarHBondContact O-N 3.41Å; A95-A99 WeakPolarHBondContact O-CB 3.34Å; A95-A99 PolarHBondContact O-N 3.45Å; A95-V105 HydrophobicContact CB-CB 4.43Å; A95-V105 HydrophobicContact CB-CG1 3.66Å; A95-V105 HydrophobicContact CB-CG2 3.98Å; A95-V139 HydrophobicContact CB-CG1 4.02Å; A95-V139 HydrophobicContact CB-CG2 4.27Å; A95-V143 HydrophobicContact CB-CG2 3.88Å
96	C	98.3	Very high	98	Very high	51 Å²	51	32.7 Å²	32.7	35%	0.345	18%	0.181	S	C	.	.	H	α-helix	trans	-59.2	-38.1	176.1	-70.2	0	0	0	0	112.4	A92 D93	A92-C96 PolarHBondContact O-N 3.38Å; A92-C96 PolarHBondContact O-SG 3.48Å; A92-C96 VanDerWaalsContact O-SG 3.37Å; D93-C96 PolarHBondContact O-N 3.35Å
97	V	97.6	Very high	98.2	Very high	58 Å²	58	29.2 Å²	29.2	35%	0.352	17%	0.165	S	C	.	.	H	α-helix	trans	-66.6	-37.5	178.4	173.5	0	0	0	0	112.3	F59 L60 D93 A94 A95	F59-V97 HydrophobicContact CE1-CB 4.03Å; F59-V97 HydrophobicContact CE1-CG1 3.62Å; F59-V97 HydrophobicContact CZ-CG1 4.08Å; L60-V97 HydrophobicContact CD2-CG2 4.03Å; D93-V97 WeakPolarHBondContact O-CG2 3.47Å; D93-V97 PolarHBondContact O-N 3.36Å; A94-V97 PolarHBondContact O-N 2.76Å; A95-V97 VanDerWaalsContact C-N 3.28Å; A95-V97 PolarHBondContact O-N 2.86Å
98	V	97.8	Very high	98.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-91.8	-12.4	-178	-62.2	0	0	0	0	114.3	F59 F70 V81 F83 A94 A95 P100 F101 S102 V105	F59-V98 HydrophobicContact CE1-CG1 3.77Å; F59-V98 HydrophobicContact CE2-CG1 4.27Å; F59-V98 HydrophobicContact CZ-CG1 3.38Å; F70-V98 HydrophobicContact CE1-CG1 4.41Å; F70-V98 HydrophobicContact CZ-CG1 4.47Å; V81-V98 HydrophobicContact CB-CG2 4.08Å; V81-V98 HydrophobicContact CG1-CG1 4.34Å; V81-V98 HydrophobicContact CG1-CG2 4.39Å; V81-V98 HydrophobicContact CG2-CB 4.05Å; V81-V98 HydrophobicContact CG2-CG1 4.4Å; V81-V98 HydrophobicContact CG2-CG2 4.02Å; F83-V98 HydrophobicContact CE2-CG1 4.49Å; F83-V98 HydrophobicContact CE2-CG2 3.82Å; F83-V98 HydrophobicContact CZ-CG1 3.92Å; F83-V98 HydrophobicContact CZ-CG2 4.1Å; A94-V98 WeakPolarHBondContact O-CG2 3.37Å; A94-V98 PolarHBondContact O-N 2.98Å; A95-V98 WeakPolarHBondContact O-CG2 3.28Å; A95-V98 PolarHBondContact O-N 3.41Å; V98-P100 VanDerWaalsContact C-CD 3.46Å; V98-P100 VanDerWaalsContact C-N 3.34Å; V98-F101 CarbonylContact O-C 3.55Å; V98-F101 WeakPolarHBondContact O-CA 3.49Å; V98-F101 PolarHBondContact O-N 3.45Å; V98-S102 PolarHBondContact O-N 3.01Å; V98-S102 VanDerWaalsContact O-N 3.14Å; V98-S102 PolarHBondContact O-OG 3.06Å; V98-V105 HydrophobicContact CG2-CG1 3.82Å
99	A	97.6	Very high	98.2	Very high	21 Å²	21	27 Å²	27	17%	0.174	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-54.8	-39	-176.5	0	0	0	0	0	114.5	A95 F101 S102 V143 Y148	A95-A99 WeakPolarHBondContact O-CB 3.34Å; A95-A99 PolarHBondContact O-N 3.45Å; A99-F101 PolarHBondContact O-N 2.68Å; A99-S102 VanDerWaalsContact O-O 3.1Å; A99-V143 HydrophobicContact CB-CG1 3.84Å; A99-Y148 VanDerWaalsContact CA-CE2 3.49Å; A99-Y148 HydrophobicContact CB-CD2 4.17Å; A99-Y148 HydrophobicContact CB-CE1 4.46Å; A99-Y148 HydrophobicContact CB-CE2 3.85Å
100	P	96.1	Very high	98.1	Very high	88 Å²	88	23.5 Å²	23.5	57%	0.571	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-65.5	-20.3	174.9	-23.3	35.5	0	0	0	114.3	R77 V98	R77-P100 PolarHBondContact NH2-O 2.96Å; V98-P100 VanDerWaalsContact C-CD 3.46Å; V98-P100 VanDerWaalsContact C-N 3.34Å
101	F	97.1	Very high	97.9	Very high	109 Å²	109	23.1 Å²	23.1	48%	0.478	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-112.4	0.2	-169	-53.6	-71.9	0	0	0	113.7	F70 T72 R77 V98 A99	F70-F101 HydrophobicContact CE1-CB 3.86Å; F70-F101 HydrophobicContact CE1-CG 4.36Å; F70-F101 HydrophobicContact CZ-CB 3.81Å; T72-F101 HydrophobicContact CG2-CB 3.96Å; R77-F101 VanDerWaalsContact NH2-C 3.27Å; V98-F101 CarbonylContact O-C 3.55Å; V98-F101 WeakPolarHBondContact O-CA 3.49Å; V98-F101 PolarHBondContact O-N 3.45Å; A99-F101 PolarHBondContact O-N 2.68Å
102	S	97.5	Very high	97.7	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.021	14%	0.143	C	C	.	.			trans	-148.1	178.2	-176.3	59	0	0	0	0	110.9	R77 L79 V98 A99 Y148	R77-S102 PolarHBondContact NH1-O 3.39Å; L79-S102 WeakPolarHBondContact O-CB 3.48Å; V98-S102 PolarHBondContact O-N 3.01Å; V98-S102 VanDerWaalsContact O-N 3.14Å; V98-S102 PolarHBondContact O-OG 3.06Å; A99-S102 VanDerWaalsContact O-O 3.1Å; S102-Y148 PolarHBondContact OG-OH 3.49Å
103	D	97.9	Very high	97.6	Very high	40 Å²	40	28.9 Å²	28.9	21%	0.214	17%	0.165	C	C	.	.	S	Bend	trans	-112.4	-5.9	-176.3	-52.2	-80.9	0	0	0	111.6	I13 R77 P78 L79 T149	I13-D103 HydrophobicContact CD1-CB 3.42Å; I13-D103 VanDerWaalsContact CD1-CB 3.42Å; I13-D103 HydrophobicContact CG1-CB 4.24Å; R77-D103 WeakPolarHBondContact CG-OD2 3.5Å; R77-D103 IonicContact CZ-OD1 2.74Å; R77-D103 IonicContact NH1-OD1 3.65Å; R77-D103 PolarHBondContact NH1-OD1 3.37Å; R77-D103 IonicContact NH1-OD2 3.84Å; R77-D103 PolarHBondContact NH1-OD2 3Å; P78-D103 VanDerWaalsContact CA-OD2 3.24Å; P78-D103 WeakPolarHBondContact CA-OD2 3.48Å; P78-D103 HydrophobicContact CB-CB 4.46Å; L79-D103 PolarHBondContact N-OD2 3.1Å; L79-D103 PolarHBondContact O-N 3.14Å; D103-T149 PolarHBondContact O-N 3.16Å; D103-T149 PolarHBondContact O-OG1 3.35Å
104	G	98.3	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	171.2	175.3	0	0	0	0	0	114.2	L79 I80 V81 Y148 T149	L79-G104 PolarHBondContact O-N 3.42Å; I80-G104 WeakPolarHBondContact CA-O 3.34Å; V81-G104 PolarHBondContact N-O 2.89Å; G104-Y148 VanDerWaalsContact C-CZ 3.44Å; G104-Y148 VanDerWaalsContact C-OH 3.27Å; G104-Y148 VanDerWaalsContact N-CE2 3.31Å; G104-Y148 PolarHBondContact O-OH 2.68Å; G104-T149 CarbonylContact C-O 3.56Å; G104-T149 WeakPolarHBondContact CA-O 3.38Å; G104-T149 VanDerWaalsContact CA-OG1 3.29Å; G104-T149 WeakPolarHBondContact CA-OG1 3.31Å
105	V	98.8	Very high	97.2	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156.1	166.6	-67.7	0	0	0	0	111.9	V81 F83 A95 V98 V139 Y148 T149 A150 S151	V81-V105 CarbonylContact O-C 3.55Å; V81-V105 VanDerWaalsContact O-CA 3.28Å; V81-V105 WeakPolarHBondContact O-CA 3.37Å; F83-V105 HydrophobicContact CD2-CB 4.44Å; F83-V105 HydrophobicContact CD2-CG1 4.03Å; F83-V105 HydrophobicContact CE2-CG1 3.84Å; A95-V105 HydrophobicContact CB-CB 4.43Å; A95-V105 HydrophobicContact CB-CG1 3.66Å; A95-V105 HydrophobicContact CB-CG2 3.98Å; V98-V105 HydrophobicContact CG2-CG1 3.82Å; V105-V139 HydrophobicContact CG2-CG1 3.55Å; V105-V139 HydrophobicContact CG2-CG2 4.43Å; V105-Y148 HydrophobicContact CB-CE1 4.44Å; V105-Y148 HydrophobicContact CG1-CE1 3.97Å; V105-Y148 VanDerWaalsContact CG1-OH 3.31Å; V105-Y148 WeakPolarHBondContact CG1-OH 3.45Å; V105-Y148 HydrophobicContact CG2-CE1 4.15Å; V105-T149 PolarHBondContact N-O 3.2Å; V105-A150 HydrophobicContact CG2-CB 4.47Å; V105-A150 WeakPolarHBondContact O-CA 3.43Å; V105-S151 PolarHBondContact O-N 3.37Å; V105-S151 PolarHBondContact O-OG 3.15Å
106	D	98.9	Very high	97	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.3	170	179.3	83.3	0	0	0	110.4	F50 I80 V81 Q82 F83 S151 I152 K153	F50-D106 HydrophobicContact CD1-CB 4.08Å; F50-D106 HydrophobicContact CE1-CB 3.64Å; I80-D106 HydrophobicContact CG2-CB 3.72Å; V81-D106 PolarHBondContact O-N 3.03Å; Q82-D106 CarbonylContact C-O 3.57Å; Q82-D106 WeakPolarHBondContact CA-O 3.48Å; Q82-D106 HydrophobicContact CB-CB 4.26Å; Q82-D106 HydrophobicContact CG-CB 4.33Å; Q82-D106 WeakPolarHBondContact CG-OD2 3.39Å; Q82-D106 PolarHBondContact NE2-OD2 3.28Å; F83-D106 PolarHBondContact N-O 3.46Å; D106-S151 CarbonylContact C-O 3.5Å; D106-S151 VanDerWaalsContact CA-O 3.28Å; D106-S151 WeakPolarHBondContact CA-O 3.44Å; D106-S151 WeakPolarHBondContact CB-OG 3.16Å; D106-S151 PolarHBondContact OD1-OG 3.43Å; D106-S151 VanDerWaalsContact OD1-OG 3.1Å; D106-I152 VanDerWaalsContact OD1-CA 3.3Å; D106-I152 WeakPolarHBondContact OD1-CA 3.47Å; D106-I152 PolarHBondContact OD1-N 2.89Å; D106-K153 PolarHBondContact OD1-N 2.88Å; D106-K153 WeakPolarHBondContact OD2-CB 3.46Å
107	L	98.9	Very high	96.9	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.6	170.6	176.7	65.5	0	0	0	110.5	A85 L91 C109 L125 V132 M135 S151 I152 K153	A85-L107 HydrophobicContact CB-CD1 4.2Å; L91-L107 HydrophobicContact CD1-CD1 4.37Å; L91-L107 HydrophobicContact CD2-CB 4.31Å; L91-L107 HydrophobicContact CD2-CD1 4.15Å; L91-L107 HydrophobicContact CD2-CD2 4.4Å; L107-C109 VanDerWaalsContact CD2-SG 3.6Å; L107-C109 PolarHBondContact O-N 3.37Å; L107-C109 VanDerWaalsContact O-N 3.14Å; L107-L125 HydrophobicContact CD1-CD1 4.37Å; L107-V132 HydrophobicContact CD2-CG1 4.27Å; L107-M135 HydrophobicContact CD1-CE 4.23Å; L107-M135 HydrophobicContact CD1-SD 4.05Å; L107-M135 HydrophobicContact CD2-CB 4.17Å; L107-M135 HydrophobicContact CD2-CE 3.42Å; L107-M135 VanDerWaalsContact CD2-CE 3.42Å; L107-M135 HydrophobicContact CD2-SD 3.85Å; L107-M135 HydrophobicContact CG-CE 4.42Å; L107-S151 PolarHBondContact N-O 3.01Å; L107-I152 HydrophobicContact CB-CG2 4.15Å; L107-K153 PolarHBondContact O-N 2.98Å
108	N	98.8	Very high	96.8	Very high	13 Å²	13	44.4 Å²	44.4	7%	0.07	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	104.9	172.8	-168.4	-58	0	0	0	111.3	M53 Q82 F83 G110 C111 G122	M53-N108 HydrophobicContact CG-CB 4.14Å; M53-N108 HydrophobicContact SD-CB 4.05Å; M53-N108 PolarHBondContact SD-ND2 3.06Å; Q82-N108 HydrophobicContact CG-CB 3.96Å; Q82-N108 PolarHBondContact OE1-ND2 3.12Å; F83-N108 PolarHBondContact O-N 3.4Å; N108-G110 PolarHBondContact OD1-N 3.48Å; N108-G110 VanDerWaalsContact OD1-N 3.1Å; N108-C111 VanDerWaalsContact OD1-CB 3.25Å; N108-C111 WeakPolarHBondContact OD1-CB 3.2Å; N108-C111 PolarHBondContact OD1-N 3.02Å; N108-G122 WeakPolarHBondContact O-CA 3.09Å; N108-G122 PolarHBondContact O-N 2.78Å
109	C	98.4	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	18.9	173.2	-67.9	0	0	0	0	111.9	L107 G122 A123 L125 I126 K153 I154	L107-C109 VanDerWaalsContact CD2-SG 3.6Å; L107-C109 PolarHBondContact O-N 3.37Å; L107-C109 VanDerWaalsContact O-N 3.14Å; C109-G122 VanDerWaalsContact C-C 3.48Å; C109-G122 CarbonylContact C-O 3.57Å; C109-G122 WeakPolarHBondContact CA-O 3.45Å; C109-A123 WeakPolarHBondContact O-CA 3.43Å; C109-L125 HydrophobicContact CB-CB 4.21Å; C109-I126 WeakPolarHBondContact O-CG2 3.35Å; C109-K153 CarbonylContact C-O 3.57Å; C109-K153 VanDerWaalsContact C-O 3.25Å; C109-K153 VanDerWaalsContact CA-O 3.31Å; C109-K153 WeakPolarHBondContact CA-O 3.49Å; C109-K153 WeakPolarHBondContact CB-O 3.46Å; C109-K153 PolarHBondContact N-O 3.39Å; C109-I154 HydrophobicContact CB-CB 4.48Å; C109-I154 HydrophobicContact CB-CG2 3.7Å
110	G	96.1	Very high	96.7	Very high	8 Å²	8	47 Å²	47	8%	0.082	24%	0.244	C	C	.	.			trans	-131.4	-11.6	-167	0	0	0	0	0	115.9	N108 P112 K153 R155	N108-G110 PolarHBondContact OD1-N 3.48Å; N108-G110 VanDerWaalsContact OD1-N 3.1Å; G110-P112 VanDerWaalsContact O-CD 3.28Å; G110-P112 WeakPolarHBondContact O-CD 3.44Å; G110-K153 PolarHBondContact N-O 3.2Å; G110-R155 WeakPolarHBondContact O-CD 3.49Å; G110-R155 PolarHBondContact O-NE 3.3Å
111	C	95.6	Very high	96.7	Very high	18 Å²	18	43.6 Å²	43.6	12%	0.122	22%	0.22	C	C	.	.			trans	-69.1	117.3	-178.5	-174	0	0	0	0	111.5	M53 N108 Q113 A123	M53-C111 HydrophobicContact SD-CB 4.13Å; N108-C111 VanDerWaalsContact OD1-CB 3.25Å; N108-C111 WeakPolarHBondContact OD1-CB 3.2Å; N108-C111 PolarHBondContact OD1-N 3.02Å; C111-Q113 VanDerWaalsContact C-N 3.29Å; C111-Q113 PolarHBondContact O-N 3.33Å; C111-Q113 VanDerWaalsContact SG-CG 3.59Å; C111-A123 WeakPolarHBondContact O-CB 3.28Å; C111-A123 PolarHBondContact O-N 2.84Å
112	P	94.9	Very high	96.6	Very high	29 Å²	29	38.4 Å²	38.4	19%	0.188	20%	0.197	C	C	.	.			trans	-90.1	10.9	-178.2	37.8	-36.1	0	0	0	113	G110 R114 M117 A185	G110-P112 VanDerWaalsContact O-CD 3.28Å; G110-P112 WeakPolarHBondContact O-CD 3.44Å; P112-R114 PolarHBondContact O-N 2.86Å; P112-M117 WeakPolarHBondContact O-CE 3.21Å; P112-A185 HydrophobicContact CB-CB 4.13Å
113	Q	94.8	Very high	96.6	Very high	96 Å²	96	38.4 Å²	38.4	45%	0.449	20%	0.197	S	C	.	.			trans	-66.7	130.5	-179.1	-69.6	-69.6	-6.9	0	0	109.9	C111 W115 A116 M117	C111-Q113 VanDerWaalsContact C-N 3.29Å; C111-Q113 PolarHBondContact O-N 3.33Å; C111-Q113 VanDerWaalsContact SG-CG 3.59Å; Q113-W115 VanDerWaalsContact C-N 3.3Å; Q113-W115 PolarHBondContact O-N 3.21Å; Q113-A116 HydrophobicContact CB-CB 4.23Å; Q113-A116 PolarHBondContact O-N 3.38Å; Q113-M117 PolarHBondContact O-N 3.45Å
114	R	94.4	Very high	96.5	Very high	199 Å²	199	37.8 Å²	37.8	75%	0.751	20%	0.195	S	C	*	.	H	α-helix	trans	-55.7	-45.2	-175.3	-69.6	-176.8	-178.8	171.2	-0.3	112	P112 A116 M117 S118	P112-R114 PolarHBondContact O-N 2.86Å; R114-A116 VanDerWaalsContact C-N 3.31Å; R114-A116 PolarHBondContact O-N 3.02Å; R114-M117 PolarHBondContact O-N 2.96Å; R114-S118 WeakPolarHBondContact O-CB 3.4Å; R114-S118 PolarHBondContact O-N 2.98Å; R114-S118 PolarHBondContact O-OG 3.26Å; R114-S118 VanDerWaalsContact O-OG 3.07Å
115	W	95.6	Very high	96.5	Very high	130 Å²	130	37.8 Å²	37.8	49%	0.492	20%	0.195	S	C	.	.	H	α-helix	trans	-59.3	-42	178.8	71	-98.5	0	0	0	112	M53 Q113 S118 S119	M53-W115 HydrophobicContact CE-CH2 3.66Å; M53-W115 HydrophobicContact CE-CZ2 3.9Å; Q113-W115 VanDerWaalsContact C-N 3.3Å; Q113-W115 PolarHBondContact O-N 3.21Å; W115-S118 PolarHBondContact O-N 3.14Å; W115-S119 PolarHBondContact O-N 3.33Å; W115-S119 VanDerWaalsContact O-N 3.14Å; W115-S119 PolarHBondContact O-OG 3.09Å
116	A	94.5	Very high	96.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-46.4	-179.5	0	0	0	0	0	110.6	Q113 R114 S118 S119 G120 Y121	Q113-A116 HydrophobicContact CB-CB 4.23Å; Q113-A116 PolarHBondContact O-N 3.38Å; R114-A116 VanDerWaalsContact C-N 3.31Å; R114-A116 PolarHBondContact O-N 3.02Å; A116-S118 PolarHBondContact O-N 3.16Å; A116-S119 CarbonylContact O-C 3.25Å; A116-S119 PolarHBondContact O-N 3.3Å; A116-S119 VanDerWaalsContact O-N 3.16Å; A116-G120 PolarHBondContact O-N 2.88Å; A116-Y121 CarbonylContact C-O 3.57Å; A116-Y121 WeakPolarHBondContact O-CA 3.33Å; A116-Y121 WeakPolarHBondContact O-CB 3.33Å; A116-Y121 PolarHBondContact O-N 3.36Å
117	M	96.2	Very high	96.4	Very high	62 Å²	62	41.6 Å²	41.6	31%	0.305	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-39.5	178.2	-66.1	-170.8	-60.6	0	0	112.6	P112 Q113 R114 S119 G120 Y121 A123 C124	P112-M117 WeakPolarHBondContact O-CE 3.21Å; Q113-M117 PolarHBondContact O-N 3.45Å; R114-M117 PolarHBondContact O-N 2.96Å; M117-S119 PolarHBondContact O-N 2.96Å; M117-G120 PolarHBondContact O-N 2.81Å; M117-Y121 WeakPolarHBondContact CA-O 3.29Å; M117-A123 HydrophobicContact SD-CB 4.1Å; M117-C124 HydrophobicContact CB-CB 4.26Å; M117-C124 HydrophobicContact CG-CB 4.29Å
118	S	95.8	Very high	96.4	Very high	107 Å²	107	46 Å²	46	75%	0.748	24%	0.235	S	C	*	.	H	α-helix	trans	-62.2	-31.2	174.9	-67.2	0	0	0	0	112.6	R114 W115 A116 G120	R114-S118 WeakPolarHBondContact O-CB 3.4Å; R114-S118 PolarHBondContact O-N 2.98Å; R114-S118 PolarHBondContact O-OG 3.26Å; R114-S118 VanDerWaalsContact O-OG 3.07Å; W115-S118 PolarHBondContact O-N 3.14Å; A116-S118 PolarHBondContact O-N 3.16Å; S118-G120 VanDerWaalsContact C-N 3.27Å
119	S	95.6	Very high	96.4	Very high	62 Å²	62	46.6 Å²	46.6	43%	0.434	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.6	173.7	-60.8	0	0	0	0	113.9	W115 A116 M117 Y121	W115-S119 PolarHBondContact O-N 3.33Å; W115-S119 VanDerWaalsContact O-N 3.14Å; W115-S119 PolarHBondContact O-OG 3.09Å; A116-S119 CarbonylContact O-C 3.25Å; A116-S119 PolarHBondContact O-N 3.3Å; A116-S119 VanDerWaalsContact O-N 3.16Å; M117-S119 PolarHBondContact O-N 2.96Å; S119-Y121 VanDerWaalsContact CB-CE2 3.42Å
120	G	96.4	Very high	96.4	Very high	14 Å²	14	50.7 Å²	50.7	14%	0.144	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	11.3	179.2	0	0	0	0	0	115.2	A116 M117 S118 L125	A116-G120 PolarHBondContact O-N 2.88Å; M117-G120 PolarHBondContact O-N 2.81Å; S118-G120 VanDerWaalsContact C-N 3.27Å; G120-L125 WeakPolarHBondContact O-CD2 3.36Å
121	Y	95.8	Very high	96.5	Very high	17 Å²	17	52.6 Å²	52.6	7%	0.067	27%	0.266	C	S	.	.			trans	-101.8	164.8	-179.7	-49.5	-50.6	0	0	0	113	V55 A84 A85 H86 A116 M117 S119 C124	V55-Y121 HydrophobicContact CG1-CE2 4.16Å; A84-Y121 HydrophobicContact CB-CD1 4.21Å; A84-Y121 HydrophobicContact CB-CD2 4.36Å; A84-Y121 HydrophobicContact CB-CG 3.97Å; A85-Y121 VanDerWaalsContact C-CD1 3.45Å; H86-Y121 HydrophobicContact CB-CD1 3.99Å; H86-Y121 HydrophobicContact CB-CE1 3.84Å; H86-Y121 AromaticContact CG-CE1 3.82Å; H86-Y121 AromaticContact ND1-CE1 3.07Å; H86-Y121 WeakPolarHBondContact ND1-CE1 3.42Å; H86-Y121 AromaticContact ND1-CZ 3.43Å; H86-Y121 PolarHBondContact ND1-OH 2.94Å; A116-Y121 CarbonylContact C-O 3.57Å; A116-Y121 WeakPolarHBondContact O-CA 3.33Å; A116-Y121 WeakPolarHBondContact O-CB 3.33Å; A116-Y121 PolarHBondContact O-N 3.36Å; M117-Y121 WeakPolarHBondContact CA-O 3.29Å; S119-Y121 VanDerWaalsContact CB-CE2 3.42Å; Y121-C124 PolarHBondContact O-SG 2.77Å
122	G	96.3	Very high	96.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	72.7	-139.4	166.9	0	0	0	0	0	112.8	N108 C109 C124 L125	N108-G122 WeakPolarHBondContact O-CA 3.09Å; N108-G122 PolarHBondContact O-N 2.78Å; C109-G122 VanDerWaalsContact C-C 3.48Å; C109-G122 CarbonylContact C-O 3.57Å; C109-G122 WeakPolarHBondContact CA-O 3.45Å; G122-C124 PolarHBondContact O-N 3.09Å; G122-L125 VanDerWaalsContact O-CB 3.3Å; G122-L125 WeakPolarHBondContact O-CB 3.33Å; G122-L125 PolarHBondContact O-N 2.85Å
123	A	96.6	Very high	96.8	Very high	3 Å²	3	53 Å²	53	3%	0.025	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-63.4	-15.7	-167.8	0	0	0	0	0	114.4	C109 C111 M117 L125 I126 A185	C109-A123 WeakPolarHBondContact O-CA 3.43Å; C111-A123 WeakPolarHBondContact O-CB 3.28Å; C111-A123 PolarHBondContact O-N 2.84Å; M117-A123 HydrophobicContact SD-CB 4.1Å; A123-L125 PolarHBondContact O-N 3.39Å; A123-I126 VanDerWaalsContact O-CG1 3.26Å; A123-I126 WeakPolarHBondContact O-CG1 3.33Å; A123-A185 HydrophobicContact CB-CB 3.95Å
124	C	97	Very high	97	Very high	27 Å²	27	50.9 Å²	50.9	18%	0.182	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-69.6	-23.5	173.7	70.3	0	0	0	0	112.5	M117 Y121 G122 I126 N127	M117-C124 HydrophobicContact CB-CB 4.26Å; M117-C124 HydrophobicContact CG-CB 4.29Å; Y121-C124 PolarHBondContact O-SG 2.77Å; G122-C124 PolarHBondContact O-N 3.09Å; C124-I126 PolarHBondContact O-N 2.86Å; C124-N127 PolarHBondContact O-N 2.71Å
125	L	98.2	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-67.2	-21.8	179.8	-67.2	173.4	0	0	0	113.3	L107 C109 G120 G122 A123 N127 K128 L131 V132 M135	L107-L125 HydrophobicContact CD1-CD1 4.37Å; C109-L125 HydrophobicContact CB-CB 4.21Å; G120-L125 WeakPolarHBondContact O-CD2 3.36Å; G122-L125 VanDerWaalsContact O-CB 3.3Å; G122-L125 WeakPolarHBondContact O-CB 3.33Å; G122-L125 PolarHBondContact O-N 2.85Å; A123-L125 PolarHBondContact O-N 3.39Å; L125-N127 PolarHBondContact O-N 2.83Å; L125-K128 HydrophobicContact CD2-CD 4.46Å; L125-K128 PolarHBondContact O-N 2.77Å; L125-L131 HydrophobicContact CD2-CD2 4.01Å; L125-V132 HydrophobicContact CB-CG2 4.07Å; L125-M135 HydrophobicContact CD1-CE 4.06Å; L125-M135 HydrophobicContact CD2-CE 3.93Å
126	I	97.3	Very high	97.4	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.062	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-62.8	-17.3	174.9	78.3	-171.1	0	0	0	112.5	C109 A123 C124 H157 L166	C109-I126 WeakPolarHBondContact O-CG2 3.35Å; A123-I126 VanDerWaalsContact O-CG1 3.26Å; A123-I126 WeakPolarHBondContact O-CG1 3.33Å; C124-I126 PolarHBondContact O-N 2.86Å; I126-H157 HydrophobicContact CD1-CB 4.46Å; I126-L166 HydrophobicContact CB-CD2 4.13Å; I126-L166 HydrophobicContact CG2-CD2 4.31Å
127	N	97.6	Very high	97.5	Very high	74 Å²	74	40.7 Å²	40.7	40%	0.396	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-92.8	1.8	175.2	-64.1	-69.7	0	0	0	113.3	C124 L125 P129 R162	C124-N127 PolarHBondContact O-N 2.71Å; L125-N127 PolarHBondContact O-N 2.83Å; N127-P129 VanDerWaalsContact C-CD 3.45Å; N127-R162 PolarHBondContact OD1-NH1 3.22Å; N127-R162 VanDerWaalsContact OD1-NH1 3.09Å; N127-R162 PolarHBondContact OD1-NH2 3.04Å
128	K	98.2	Very high	97.7	Very high	96 Å²	96	40.7 Å²	40.7	42%	0.417	22%	0.216	S	C	.	.			trans	-127.6	60.4	-175.8	-57.5	-175.3	-179.1	179.8	0	111.3	L125 E130 L131 V132	L125-K128 HydrophobicContact CD2-CD 4.46Å; L125-K128 PolarHBondContact O-N 2.77Å; K128-E130 VanDerWaalsContact C-N 3.34Å; K128-E130 PolarHBondContact O-N 3.4Å; K128-L131 HydrophobicContact CB-CB 3.98Å; K128-L131 HydrophobicContact CB-CD2 4.33Å; K128-L131 HydrophobicContact CD-CD2 3.8Å; K128-L131 WeakPolarHBondContact O-CB 3.45Å; K128-L131 PolarHBondContact O-N 3Å; K128-L131 VanDerWaalsContact O-N 3.1Å; K128-V132 PolarHBondContact O-N 3.4Å; K128-V132 VanDerWaalsContact O-N 3.1Å
129	P	98.3	Very high	97.8	Very high	24 Å²	24	35.7 Å²	35.7	16%	0.156	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-35.8	-171.1	26	-35.8	0	0	0	114.1	N127 L131 V132 K133 L166 K169	N127-P129 VanDerWaalsContact C-CD 3.45Å; P129-L131 VanDerWaalsContact C-N 3.34Å; P129-L131 PolarHBondContact O-N 3.32Å; P129-V132 PolarHBondContact O-N 3.42Å; P129-K133 WeakPolarHBondContact O-CB 3.42Å; P129-K133 PolarHBondContact O-N 3.38Å; P129-L166 HydrophobicContact CB-CB 4.25Å; P129-L166 HydrophobicContact CB-CD1 3.77Å; P129-K169 HydrophobicContact CB-CD 3.82Å; P129-K169 HydrophobicContact CG-CD 4.36Å
130	E	98.6	Very high	97.9	Very high	87 Å²	87	36.9 Å²	36.9	41%	0.407	18%	0.176	S	C	.	.	H	α-helix	trans	-64.6	-38.7	175.2	-61.3	-52.8	141.7	0	0	112.1	K128 K133 D134 K169	K128-E130 VanDerWaalsContact C-N 3.34Å; K128-E130 PolarHBondContact O-N 3.4Å; E130-K133 WeakPolarHBondContact O-CB 3.32Å; E130-K133 PolarHBondContact O-N 2.98Å; E130-K133 IonicContact OE2-NZ 3.37Å; E130-D134 WeakPolarHBondContact O-CB 3.46Å; E130-D134 VanDerWaalsContact O-CG 3.31Å; E130-D134 PolarHBondContact O-N 3.36Å; E130-K169 WeakPolarHBondContact OE1-CD 3.31Å; E130-K169 WeakPolarHBondContact OE1-CE 3.42Å; E130-K169 IonicContact OE1-NZ 3.86Å; E130-K169 PolarHBondContact OE1-NZ 3.2Å; E130-K169 VanDerWaalsContact OE1-NZ 3.07Å
131	L	98.6	Very high	97.9	Very high	47 Å²	47	42.2 Å²	42.2	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-66.2	-41.9	176.5	177.8	63.4	0	0	0	111.5	L125 K128 P129 D134 M135	L125-L131 HydrophobicContact CD2-CD2 4.01Å; K128-L131 HydrophobicContact CB-CB 3.98Å; K128-L131 HydrophobicContact CB-CD2 4.33Å; K128-L131 HydrophobicContact CD-CD2 3.8Å; K128-L131 WeakPolarHBondContact O-CB 3.45Å; K128-L131 PolarHBondContact O-N 3Å; K128-L131 VanDerWaalsContact O-N 3.1Å; P129-L131 VanDerWaalsContact C-N 3.34Å; P129-L131 PolarHBondContact O-N 3.32Å; L131-D134 PolarHBondContact O-N 2.9Å; L131-M135 HydrophobicContact CD1-CG 4.47Å; L131-M135 HydrophobicContact CD2-CE 4.35Å; L131-M135 HydrophobicContact CG-CE 3.95Å; L131-M135 WeakPolarHBondContact O-CB 3.42Å; L131-M135 WeakPolarHBondContact O-CG 3.32Å; L131-M135 PolarHBondContact O-N 2.87Å
132	V	98.8	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-44.5	176.1	175.1	0	0	0	0	110.8	L107 L125 K128 P129 D134 M135 V136 I152 L166	L107-V132 HydrophobicContact CD2-CG1 4.27Å; L125-V132 HydrophobicContact CB-CG2 4.07Å; K128-V132 PolarHBondContact O-N 3.4Å; K128-V132 VanDerWaalsContact O-N 3.1Å; P129-V132 PolarHBondContact O-N 3.42Å; V132-D134 VanDerWaalsContact C-N 3.33Å; V132-D134 PolarHBondContact O-N 3.06Å; V132-M135 HydrophobicContact CG2-CE 4.42Å; V132-M135 PolarHBondContact O-N 3.42Å; V132-V136 WeakPolarHBondContact O-CG2 3.49Å; V132-V136 PolarHBondContact O-N 2.85Å; V132-I152 HydrophobicContact CG1-CD1 4.2Å; V132-I152 HydrophobicContact CG1-CG2 4.17Å; V132-L166 HydrophobicContact CB-CD1 3.87Å; V132-L166 HydrophobicContact CG1-CD1 4.04Å; V132-L166 HydrophobicContact CG2-CD1 4.01Å
133	K	98.7	Very high	98	Very high	56 Å²	56	45.4 Å²	45.4	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-56.1	-46.5	173.3	178.1	-170.8	174.7	-178.9	0	111.6	P129 E130 V136 R137 K169 A173	P129-K133 WeakPolarHBondContact O-CB 3.42Å; P129-K133 PolarHBondContact O-N 3.38Å; E130-K133 WeakPolarHBondContact O-CB 3.32Å; E130-K133 PolarHBondContact O-N 2.98Å; E130-K133 IonicContact OE2-NZ 3.37Å; K133-V136 PolarHBondContact O-N 3.18Å; K133-R137 WeakPolarHBondContact O-CB 3.45Å; K133-R137 PolarHBondContact O-N 2.85Å; K133-K169 HydrophobicContact CB-CB 4.36Å; K133-K169 HydrophobicContact CD-CB 4.33Å; K133-A173 HydrophobicContact CB-CB 4.46Å; K133-A173 HydrophobicContact CG-CB 3.74Å; K133-A173 WeakPolarHBondContact O-CB 3.44Å
134	D	98.6	Very high	97.8	Very high	52 Å²	52	53.3 Å²	53.3	28%	0.278	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-43.3	178.5	-76.1	-23.8	0	0	0	112.4	E130 L131 V132 R137 H138	E130-D134 WeakPolarHBondContact O-CB 3.46Å; E130-D134 VanDerWaalsContact O-CG 3.31Å; E130-D134 PolarHBondContact O-N 3.36Å; L131-D134 PolarHBondContact O-N 2.9Å; V132-D134 VanDerWaalsContact C-N 3.33Å; V132-D134 PolarHBondContact O-N 3.06Å; D134-R137 PolarHBondContact O-N 3.32Å; D134-R137 IonicContact OD1-CZ 2.98Å; D134-R137 IonicContact OD1-NE 2.77Å; D134-R137 IonicContact OD1-NH2 3.58Å; D134-R137 PolarHBondContact OD1-NH2 3.1Å; D134-H138 PolarHBondContact O-N 2.96Å; D134-H138 PolarHBondContact O-ND1 3.18Å
135	M	98.8	Very high	97.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-48.6	176	-76.8	-160.6	-85.8	0	0	112.1	A85 A88 L91 L107 L125 L131 V132 H138 V139	A85-M135 HydrophobicContact CB-SD 4.26Å; A88-M135 HydrophobicContact CB-CG 4.15Å; L91-M135 HydrophobicContact CD2-CB 3.75Å; L91-M135 HydrophobicContact CD2-CG 4.35Å; L91-M135 HydrophobicContact CD2-SD 4.22Å; L107-M135 HydrophobicContact CD1-CE 4.23Å; L107-M135 HydrophobicContact CD1-SD 4.05Å; L107-M135 HydrophobicContact CD2-CB 4.17Å; L107-M135 HydrophobicContact CD2-CE 3.42Å; L107-M135 VanDerWaalsContact CD2-CE 3.42Å; L107-M135 HydrophobicContact CD2-SD 3.85Å; L107-M135 HydrophobicContact CG-CE 4.42Å; L125-M135 HydrophobicContact CD1-CE 4.06Å; L125-M135 HydrophobicContact CD2-CE 3.93Å; L131-M135 HydrophobicContact CD1-CG 4.47Å; L131-M135 HydrophobicContact CD2-CE 4.35Å; L131-M135 HydrophobicContact CG-CE 3.95Å; L131-M135 WeakPolarHBondContact O-CB 3.42Å; L131-M135 WeakPolarHBondContact O-CG 3.32Å; L131-M135 PolarHBondContact O-N 2.87Å; V132-M135 HydrophobicContact CG2-CE 4.42Å; V132-M135 PolarHBondContact O-N 3.42Å; M135-H138 PolarHBondContact O-N 2.91Å; M135-V139 WeakPolarHBondContact O-CG2 3.49Å; M135-V139 PolarHBondContact O-N 2.79Å
136	V	98.8	Very high	97.1	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-48	177.1	171.1	0	0	0	0	110.7	V132 K133 H138 V139 R140 I152 A173 V175	V132-V136 WeakPolarHBondContact O-CG2 3.49Å; V132-V136 PolarHBondContact O-N 2.85Å; K133-V136 PolarHBondContact O-N 3.18Å; V136-H138 VanDerWaalsContact C-N 3.33Å; V136-H138 PolarHBondContact O-N 2.84Å; V136-V139 PolarHBondContact O-N 3.18Å; V136-R140 HydrophobicContact CG1-CG 4.45Å; V136-R140 WeakPolarHBondContact O-CG 3.23Å; V136-R140 PolarHBondContact O-N 2.88Å; V136-I152 HydrophobicContact CG2-CG2 3.73Å; V136-A173 HydrophobicContact CB-CB 4.09Å; V136-A173 HydrophobicContact CG1-CB 3.93Å; V136-V175 HydrophobicContact CG1-CB 3.98Å; V136-V175 HydrophobicContact CG1-CG2 4.42Å; V136-V175 HydrophobicContact CG2-CG2 4.45Å
137	R	98.5	Very high	96.9	Very high	109 Å²	109	62.8 Å²	62.8	41%	0.411	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-40.1	-179.6	-179.5	169.5	57.8	158.9	-0.8	112.5	K133 D134 R140 N141 A173	K133-R137 WeakPolarHBondContact O-CB 3.45Å; K133-R137 PolarHBondContact O-N 2.85Å; D134-R137 PolarHBondContact O-N 3.32Å; D134-R137 IonicContact OD1-CZ 2.98Å; D134-R137 IonicContact OD1-NE 2.77Å; D134-R137 IonicContact OD1-NH2 3.58Å; D134-R137 PolarHBondContact OD1-NH2 3.1Å; R137-R140 PolarHBondContact O-N 2.93Å; R137-N141 WeakPolarHBondContact O-CB 3.26Å; R137-N141 PolarHBondContact O-N 3.1Å; R137-N141 PolarHBondContact O-ND2 3.39Å; R137-A173 HydrophobicContact CB-CB 4.08Å
138	H	98.4	Very high	96.8	Very high	62 Å²	62	59.5 Å²	59.5	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-66.6	-43.2	178.5	-80.3	68.3	0	0	0	112.1	A88 A92 D134 M135 V136 R140 N141 Q142	A88-H138 HydrophobicContact CB-CB 3.95Å; A92-H138 HydrophobicContact CB-CB 4.02Å; D134-H138 PolarHBondContact O-N 2.96Å; D134-H138 PolarHBondContact O-ND1 3.18Å; M135-H138 PolarHBondContact O-N 2.91Å; V136-H138 VanDerWaalsContact C-N 3.33Å; V136-H138 PolarHBondContact O-N 2.84Å; H138-R140 VanDerWaalsContact C-N 3.34Å; H138-R140 PolarHBondContact O-N 3.41Å; H138-N141 PolarHBondContact O-N 3.36Å; H138-Q142 WeakPolarHBondContact O-CB 3.26Å; H138-Q142 WeakPolarHBondContact O-CG 3.24Å; H138-Q142 PolarHBondContact O-N 3.02Å
139	V	98.5	Very high	96.8	Very high	3 Å²	3	55 Å²	55	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-57.8	-49	174.4	171.7	0	0	0	0	110.5	L91 A92 A95 V105 M135 V136 N141 Q142 V143 A150	L91-V139 HydrophobicContact CB-CG2 4.46Å; L91-V139 HydrophobicContact CD2-CG2 3.74Å; L91-V139 HydrophobicContact CG-CG2 3.66Å; A92-V139 HydrophobicContact CB-CG2 4.36Å; A95-V139 HydrophobicContact CB-CG1 4.02Å; A95-V139 HydrophobicContact CB-CG2 4.27Å; V105-V139 HydrophobicContact CG2-CG1 3.55Å; V105-V139 HydrophobicContact CG2-CG2 4.43Å; M135-V139 WeakPolarHBondContact O-CG2 3.49Å; M135-V139 PolarHBondContact O-N 2.79Å; V136-V139 PolarHBondContact O-N 3.18Å; V139-N141 PolarHBondContact O-N 2.88Å; V139-Q142 PolarHBondContact O-N 3.18Å; V139-V143 HydrophobicContact CG1-CG2 4.26Å; V139-V143 PolarHBondContact O-N 3.31Å; V139-V143 VanDerWaalsContact O-N 3.14Å; V139-A150 HydrophobicContact CB-CB 4.46Å; V139-A150 HydrophobicContact CG1-CB 3.81Å
140	R	97.4	Very high	96.9	Very high	86 Å²	86	54 Å²	54	33%	0.325	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-31	179.5	-71.1	-58.7	-56.7	171	-0.7	113.4	V136 R137 H138 P146 Y148 A150 G174	V136-R140 HydrophobicContact CG1-CG 4.45Å; V136-R140 WeakPolarHBondContact O-CG 3.23Å; V136-R140 PolarHBondContact O-N 2.88Å; R137-R140 PolarHBondContact O-N 2.93Å; H138-R140 VanDerWaalsContact C-N 3.34Å; H138-R140 PolarHBondContact O-N 3.41Å; R140-P146 PolarHBondContact NH2-O 3.12Å; R140-Y148 PolarHBondContact NH1-O 2.87Å; R140-A150 HydrophobicContact CG-CB 4.28Å; R140-G174 WeakPolarHBondContact CD-O 3.45Å
141	N	96.9	Very high	96.9	Very high	127 Å²	127	50 Å²	50	68%	0.679	25%	0.253	S	S	*	.	H	α-helix	trans	-85	-30.1	-179.4	-71.1	-11.3	0	0	0	113.7	R137 H138 V139	R137-N141 WeakPolarHBondContact O-CB 3.26Å; R137-N141 PolarHBondContact O-N 3.1Å; R137-N141 PolarHBondContact O-ND2 3.39Å; H138-N141 PolarHBondContact O-N 3.36Å; V139-N141 PolarHBondContact O-N 2.88Å
142	Q	97.4	Very high	96.9	Very high	66 Å²	66	47.8 Å²	47.8	31%	0.308	24%	0.241	S	C	.	.	H	α-helix	trans	-96.1	-28.4	-171.9	-69.8	-173.8	12.6	0	0	113.8	Q89 A92 H138 V139 D144	Q89-Q142 VanDerWaalsContact NE2-OE1 3.12Å; A92-Q142 HydrophobicContact CB-CB 4.22Å; A92-Q142 HydrophobicContact CB-CG 4.27Å; H138-Q142 WeakPolarHBondContact O-CB 3.26Å; H138-Q142 WeakPolarHBondContact O-CG 3.24Å; H138-Q142 PolarHBondContact O-N 3.02Å; V139-Q142 PolarHBondContact O-N 3.18Å; Q142-D144 PolarHBondContact O-N 3.14Å
143	V	96.7	Very high	96.9	Very high	18 Å²	18	48.8 Å²	48.8	11%	0.109	25%	0.245	C	C	.	.	S	Bend	trans	-79.7	113.1	178.2	-178.5	0	0	0	0	109.8	A95 A99 V139 N145 Y148	A95-V143 HydrophobicContact CB-CG2 3.88Å; A99-V143 HydrophobicContact CB-CG1 3.84Å; V139-V143 HydrophobicContact CG1-CG2 4.26Å; V139-V143 PolarHBondContact O-N 3.31Å; V139-V143 VanDerWaalsContact O-N 3.14Å; V143-N145 HydrophobicContact CG1-CB 4.44Å; V143-N145 PolarHBondContact O-N 3.3Å; V143-Y148 HydrophobicContact CB-CD1 4.24Å; V143-Y148 HydrophobicContact CG1-CD1 3.64Å; V143-Y148 HydrophobicContact CG1-CE1 4.27Å; V143-Y148 HydrophobicContact CG1-CG 3.77Å; V143-Y148 HydrophobicContact CG2-CD1 4.26Å; V143-Y148 HydrophobicContact CG2-CE1 4.39Å
144	D	91.6	Very high	96.9	Very high	168 Å²	168	46.1 Å²	46.1	90%	0.898	23%	0.234	S	C	*	.	S	Bend	trans	-78.1	58.4	-179.5	-167.4	22.5	0	0	0	112.5	Q142	Q142-D144 PolarHBondContact O-N 3.14Å
145	N	92.6	Very high	96.9	Very high	68 Å²	68	45 Å²	45	36%	0.364	23%	0.226	S	C	.	.			trans	-155.6	109.9	171.1	174.9	0.1	0	0	0	108.9	V143 N147 Y148	V143-N145 HydrophobicContact CG1-CB 4.44Å; V143-N145 PolarHBondContact O-N 3.3Å; N145-N147 PolarHBondContact O-N 2.69Å; N145-N147 WeakPolarHBondContact OD1-CB 3.35Å; N145-N147 PolarHBondContact OD1-N 3.1Å; N145-Y148 VanDerWaalsContact O-CB 3.28Å; N145-Y148 WeakPolarHBondContact O-CB 3.28Å; N145-Y148 PolarHBondContact O-N 2.92Å; N145-Y148 PolarHBondContact OD1-N 3.3Å
146	P	88.9	Confident	96.9	Very high	104 Å²	104	45.4 Å²	45.4	68%	0.675	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.1	-176.1	25.3	-34	0	0	0	113.4	R140 Y148	R140-P146 PolarHBondContact NH2-O 3.12Å; P146-Y148 VanDerWaalsContact C-N 3.32Å
147	N	92.8	Very high	96.8	Very high	67 Å²	67	47 Å²	47	36%	0.358	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.3	178.7	-65.7	-18.9	0	0	0	112.8	N145 T149	N145-N147 PolarHBondContact O-N 2.69Å; N145-N147 WeakPolarHBondContact OD1-CB 3.35Å; N145-N147 PolarHBondContact OD1-N 3.1Å; N147-T149 PolarHBondContact O-N 3.08Å
148	Y	96.8	Very high	96.7	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.016	25%	0.249	C	C	.	.			trans	-73.1	122	179.3	-167.6	-97.5	0	0	0	110.7	A99 S102 G104 V105 R140 V143 N145 P146	A99-Y148 VanDerWaalsContact CA-CE2 3.49Å; A99-Y148 HydrophobicContact CB-CD2 4.17Å; A99-Y148 HydrophobicContact CB-CE1 4.46Å; A99-Y148 HydrophobicContact CB-CE2 3.85Å; S102-Y148 PolarHBondContact OG-OH 3.49Å; G104-Y148 VanDerWaalsContact C-CZ 3.44Å; G104-Y148 VanDerWaalsContact C-OH 3.27Å; G104-Y148 VanDerWaalsContact N-CE2 3.31Å; G104-Y148 PolarHBondContact O-OH 2.68Å; V105-Y148 HydrophobicContact CB-CE1 4.44Å; V105-Y148 HydrophobicContact CG1-CE1 3.97Å; V105-Y148 VanDerWaalsContact CG1-OH 3.31Å; V105-Y148 WeakPolarHBondContact CG1-OH 3.45Å; V105-Y148 HydrophobicContact CG2-CE1 4.15Å; R140-Y148 PolarHBondContact NH1-O 2.87Å; V143-Y148 HydrophobicContact CB-CD1 4.24Å; V143-Y148 HydrophobicContact CG1-CD1 3.64Å; V143-Y148 HydrophobicContact CG1-CE1 4.27Å; V143-Y148 HydrophobicContact CG1-CG 3.77Å; V143-Y148 HydrophobicContact CG2-CD1 4.26Å; V143-Y148 HydrophobicContact CG2-CE1 4.39Å; N145-Y148 VanDerWaalsContact O-CB 3.28Å; N145-Y148 WeakPolarHBondContact O-CB 3.28Å; N145-Y148 PolarHBondContact O-N 2.92Å; N145-Y148 PolarHBondContact OD1-N 3.3Å; P146-Y148 VanDerWaalsContact C-N 3.32Å
149	T	98.2	Very high	96.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	148.3	-168.9	56.9	0	0	0	0	112.4	I13 M14 D103 G104 V105 N147 S176 W177	I13-T149 HydrophobicContact CB-CG2 4.16Å; I13-T149 HydrophobicContact CD1-CG2 4.18Å; M14-T149 HydrophobicContact CG-CG2 4.47Å; M14-T149 HydrophobicContact SD-CG2 4.44Å; D103-T149 PolarHBondContact O-N 3.16Å; D103-T149 PolarHBondContact O-OG1 3.35Å; G104-T149 CarbonylContact C-O 3.56Å; G104-T149 WeakPolarHBondContact CA-O 3.38Å; G104-T149 VanDerWaalsContact CA-OG1 3.29Å; G104-T149 WeakPolarHBondContact CA-OG1 3.31Å; V105-T149 PolarHBondContact N-O 3.2Å; N147-T149 PolarHBondContact O-N 3.08Å; T149-S176 WeakPolarHBondContact CA-OG 3.48Å; T149-W177 VanDerWaalsContact CB-CZ3 3.48Å; T149-W177 HydrophobicContact CG2-CH2 4.14Å; T149-W177 HydrophobicContact CG2-CZ3 3.66Å; T149-W177 WeakPolarHBondContact OG1-CH2 3.41Å
150	A	98.5	Very high	96.6	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	112.3	176	0	0	0	0	0	108.7	V105 V139 R140 V175 S176	V105-A150 HydrophobicContact CG2-CB 4.47Å; V105-A150 WeakPolarHBondContact O-CA 3.43Å; V139-A150 HydrophobicContact CB-CB 4.46Å; V139-A150 HydrophobicContact CG1-CB 3.81Å; R140-A150 HydrophobicContact CG-CB 4.28Å; A150-V175 CarbonylContact O-C 3.34Å; A150-V175 WeakPolarHBondContact O-CA 3.45Å; A150-V175 WeakPolarHBondContact O-CG2 3.31Å; A150-S176 PolarHBondContact N-OG 3.23Å; A150-S176 PolarHBondContact O-N 2.83Å
151	S	98.9	Very high	96.7	Very high	3 Å²	3	56 Å²	56	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	166.9	-174.4	56.7	0	0	0	0	112.7	V105 D106 L107 W177	V105-S151 PolarHBondContact O-N 3.37Å; V105-S151 PolarHBondContact O-OG 3.15Å; D106-S151 CarbonylContact C-O 3.5Å; D106-S151 VanDerWaalsContact CA-O 3.28Å; D106-S151 WeakPolarHBondContact CA-O 3.44Å; D106-S151 WeakPolarHBondContact CB-OG 3.16Å; D106-S151 PolarHBondContact OD1-OG 3.43Å; D106-S151 VanDerWaalsContact OD1-OG 3.1Å; L107-S151 PolarHBondContact N-O 3.01Å; S151-W177 WeakPolarHBondContact CB-O 3.34Å; S151-W177 WeakPolarHBondContact OG-CZ2 3.39Å; S151-W177 PolarHBondContact OG-NE1 3.15Å
152	I	98.9	Very high	96.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.8	171.1	68.6	176.8	0	0	0	110.6	D106 L107 V132 V136 I154 A170 V175 W177 I178 T179	D106-I152 VanDerWaalsContact OD1-CA 3.3Å; D106-I152 WeakPolarHBondContact OD1-CA 3.47Å; D106-I152 PolarHBondContact OD1-N 2.89Å; L107-I152 HydrophobicContact CB-CG2 4.15Å; V132-I152 HydrophobicContact CG1-CD1 4.2Å; V132-I152 HydrophobicContact CG1-CG2 4.17Å; V136-I152 HydrophobicContact CG2-CG2 3.73Å; I152-I154 HydrophobicContact CD1-CG2 3.91Å; I152-I154 HydrophobicContact CG1-CG2 4.15Å; I152-A170 HydrophobicContact CD1-CB 3.65Å; I152-V175 HydrophobicContact CG1-CG2 4.36Å; I152-V175 HydrophobicContact CG2-CG2 4.15Å; I152-W177 PolarHBondContact N-O 3.46Å; I152-I178 HydrophobicContact CD1-CG1 4.34Å; I152-I178 HydrophobicContact CD1-CG2 4.37Å; I152-I178 HydrophobicContact CG1-CB 4.43Å; I152-I178 HydrophobicContact CG1-CG1 4.11Å; I152-I178 HydrophobicContact CG1-CG2 4.07Å; I152-T179 PolarHBondContact O-N 3.21Å
153	K	98.9	Very high	96.8	Very high	22 Å²	22	51.7 Å²	51.7	10%	0.096	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.1	170.1	-174.5	176.3	-165.3	-56.1	0	111.1	P28 D106 L107 C109 G110 T179 N211 M233	P28-K153 HydrophobicContact CG-CD 3.89Å; D106-K153 PolarHBondContact OD1-N 2.88Å; D106-K153 WeakPolarHBondContact OD2-CB 3.46Å; L107-K153 PolarHBondContact O-N 2.98Å; C109-K153 CarbonylContact C-O 3.57Å; C109-K153 VanDerWaalsContact C-O 3.25Å; C109-K153 VanDerWaalsContact CA-O 3.31Å; C109-K153 WeakPolarHBondContact CA-O 3.49Å; C109-K153 WeakPolarHBondContact CB-O 3.46Å; C109-K153 PolarHBondContact N-O 3.39Å; G110-K153 PolarHBondContact N-O 3.2Å; K153-T179 CarbonylContact C-O 3.52Å; K153-T179 WeakPolarHBondContact CA-O 3.34Å; K153-T179 HydrophobicContact CD-CG2 4.17Å; K153-T179 HydrophobicContact CG-CG2 3.83Å; K153-N211 WeakPolarHBondContact CE-OD1 3.35Å; K153-N211 PolarHBondContact NZ-OD1 3.06Å; K153-M233 HydrophobicContact CD-SD 4.06Å; K153-M233 WeakPolarHBondContact CE-SD 3.39Å
154	I	98.8	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	167.2	-174	66.4	171.2	0	0	0	112.6	C109 I152 T163 L166 I178 T179 V180 H181	C109-I154 HydrophobicContact CB-CB 4.48Å; C109-I154 HydrophobicContact CB-CG2 3.7Å; I152-I154 HydrophobicContact CD1-CG2 3.91Å; I152-I154 HydrophobicContact CG1-CG2 4.15Å; I154-T163 HydrophobicContact CD1-CG2 3.71Å; I154-L166 HydrophobicContact CD1-CD2 4.48Å; I154-L166 HydrophobicContact CG2-CD2 3.96Å; I154-I178 HydrophobicContact CD1-CG2 4.1Å; I154-I178 HydrophobicContact CG1-CG2 4.25Å; I154-T179 PolarHBondContact N-O 2.9Å; I154-V180 HydrophobicContact CD1-CG2 4.14Å; I154-V180 HydrophobicContact CG1-CB 4.45Å; I154-V180 HydrophobicContact CG1-CG1 4.41Å; I154-V180 HydrophobicContact CG1-CG2 4.13Å; I154-H181 WeakPolarHBondContact O-CB 3.39Å; I154-H181 PolarHBondContact O-N 3.1Å
155	R	98.4	Very high	97.3	Very high	28 Å²	28	46.9 Å²	46.9	11%	0.106	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	159.4	155.6	-86.4	-174.2	179.6	-112.1	-3	109.3	G110 H181 R183 T184 E187	G110-R155 WeakPolarHBondContact O-CD 3.49Å; G110-R155 PolarHBondContact O-NE 3.3Å; R155-H181 WeakPolarHBondContact CA-O 3.4Å; R155-H181 HydrophobicContact CG-CB 3.96Å; R155-H181 PolarHBondContact NH2-CE1 2.97Å; R155-H181 PolarHBondContact NH2-ND1 2.87Å; R155-R183 VanDerWaalsContact CB-O 3.23Å; R155-R183 WeakPolarHBondContact CB-O 3.39Å; R155-R183 WeakPolarHBondContact CD-O 3.41Å; R155-R183 VanDerWaalsContact CG-O 3.26Å; R155-R183 WeakPolarHBondContact CG-O 3.39Å; R155-R183 VanDerWaalsContact NH1-CB 3.35Å; R155-T184 PolarHBondContact NH1-O 2.86Å; R155-E187 PolarHBondContact NH1-O 3.15Å; R155-E187 VanDerWaalsContact NH1-O 3.11Å
156	I	98.4	Very high	97.6	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.041	21%	0.206	C	C	.	.			trans	-76.5	153.1	176.5	63.3	171.6	0	0	0	111.7	T163 V180 H181 R183 T184 H193 A196 I200	I156-T163 HydrophobicContact CG2-CG2 4.45Å; I156-V180 HydrophobicContact CG2-CG1 3.69Å; I156-H181 PolarHBondContact N-O 3.02Å; I156-R183 VanDerWaalsContact CG1-C 3.49Å; I156-R183 PolarHBondContact N-O 2.85Å; I156-T184 HydrophobicContact CG1-CG2 4.18Å; I156-T184 WeakPolarHBondContact O-CA 3.3Å; I156-H193 HydrophobicContact CD1-CB 3.9Å; I156-A196 HydrophobicContact CD1-CB 3.98Å; I156-A196 HydrophobicContact CG2-CB 4.42Å; I156-I200 HydrophobicContact CG2-CD1 3.98Å
157	H	97.8	Very high	98	Very high	39 Å²	39	38.7 Å²	38.7	18%	0.181	17%	0.174	C	C	.	.			trans	-94.1	152.8	170.5	-172.8	-85.1	0	0	0	109.5	I126 D159 R162 T163	I126-H157 HydrophobicContact CD1-CB 4.46Å; H157-D159 VanDerWaalsContact C-N 3.3Å; H157-D159 PolarHBondContact ND1-N 3.21Å; H157-D159 PolarHBondContact ND1-O 2.86Å; H157-D159 VanDerWaalsContact ND1-O 3.14Å; H157-D159 PolarHBondContact O-N 2.98Å; H157-R162 HydrophobicContact CB-CB 4.35Å; H157-R162 PolarHBondContact CE1-NH1 2.97Å; H157-R162 PolarHBondContact NE2-NH1 3.37Å; H157-T163 WeakPolarHBondContact CB-OG1 3.39Å; H157-T163 PolarHBondContact N-OG1 2.81Å
158	K	96	Very high	98.3	Very high	164 Å²	164	39.9 Å²	39.9	71%	0.713	18%	0.177	S	C	*	.	S	Bend	trans	-57.7	-43.4	177.6	-69.8	-177.1	179.3	-179.3	0	112.5	T184	K158-T184 HydrophobicContact CG-CG2 4.02Å
159	D	97.6	Very high	98.4	Very high	51 Å²	51	42 Å²	42	27%	0.273	19%	0.186	S	C	.	.	S	Bend	trans	-84.4	102.6	164	-175.3	-6.9	0	0	0	109.3	H157 R161 R162	H157-D159 VanDerWaalsContact C-N 3.3Å; H157-D159 PolarHBondContact ND1-N 3.21Å; H157-D159 PolarHBondContact ND1-O 2.86Å; H157-D159 VanDerWaalsContact ND1-O 3.14Å; H157-D159 PolarHBondContact O-N 2.98Å; D159-R161 PolarHBondContact O-N 2.78Å; D159-R161 WeakPolarHBondContact OD1-CB 3.11Å; D159-R161 IonicContact OD1-CZ 2.88Å; D159-R161 PolarHBondContact OD1-N 2.93Å; D159-R161 VanDerWaalsContact OD1-N 3.12Å; D159-R161 IonicContact OD1-NE 3.59Å; D159-R161 PolarHBondContact OD1-NE 3.19Å; D159-R161 IonicContact OD1-NH2 3.7Å; D159-R161 IonicContact OD2-CZ 2.7Å; D159-R161 IonicContact OD2-NE 2.78Å; D159-R161 PolarHBondContact OD2-NE 3.32Å; D159-R161 IonicContact OD2-NH2 3.49Å; D159-R161 PolarHBondContact OD2-NH2 2.74Å; D159-R162 HydrophobicContact CB-CG 4.26Å; D159-R162 WeakPolarHBondContact O-CB 3.33Å; D159-R162 PolarHBondContact O-N 2.73Å; D159-R162 VanDerWaalsContact O-N 3.13Å
160	L	98	Very high	98.4	Very high	45 Å²	45	41.9 Å²	41.9	24%	0.236	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-27	-176.7	-172.7	59.9	0	0	0	113	R162 T163 V164 A196 T199 I200	L160-R162 PolarHBondContact O-N 3.42Å; L160-T163 WeakPolarHBondContact O-CA 3.47Å; L160-T163 WeakPolarHBondContact O-CB 3.45Å; L160-T163 PolarHBondContact O-N 2.9Å; L160-V164 PolarHBondContact O-N 3.41Å; L160-A196 HydrophobicContact CD1-CB 3.87Å; L160-A196 HydrophobicContact CD2-CB 4.18Å; L160-T199 HydrophobicContact CD2-CG2 3.72Å; L160-T199 HydrophobicContact CG-CG2 4.45Å; L160-I200 HydrophobicContact CD1-CD1 4.09Å; L160-I200 HydrophobicContact CD1-CG1 4.22Å
161	R	98.4	Very high	98.5	Very high	189 Å²	189	44.1 Å²	44.1	71%	0.713	20%	0.196	S	C	*	.	H	α-helix	trans	-59.6	-33.6	177	-61.9	172	-65.7	-179.1	4.1	111.8	D159 T163 V164 D165	D159-R161 PolarHBondContact O-N 2.78Å; D159-R161 WeakPolarHBondContact OD1-CB 3.11Å; D159-R161 IonicContact OD1-CZ 2.88Å; D159-R161 PolarHBondContact OD1-N 2.93Å; D159-R161 VanDerWaalsContact OD1-N 3.12Å; D159-R161 IonicContact OD1-NE 3.59Å; D159-R161 PolarHBondContact OD1-NE 3.19Å; D159-R161 IonicContact OD1-NH2 3.7Å; D159-R161 IonicContact OD2-CZ 2.7Å; D159-R161 IonicContact OD2-NE 2.78Å; D159-R161 PolarHBondContact OD2-NE 3.32Å; D159-R161 IonicContact OD2-NH2 3.49Å; D159-R161 PolarHBondContact OD2-NH2 2.74Å; R161-T163 VanDerWaalsContact C-N 3.35Å; R161-V164 PolarHBondContact O-N 3.3Å; R161-D165 WeakPolarHBondContact O-CB 3.28Å; R161-D165 PolarHBondContact O-N 2.79Å
162	R	98.5	Very high	98.4	Very high	101 Å²	101	47.9 Å²	47.9	38%	0.381	22%	0.222	S	C	.	.	H	α-helix	trans	-69.9	-33.7	176	-61.5	-175	68.1	-160.2	0.8	112	N127 H157 D159 L160 L166	N127-R162 PolarHBondContact OD1-NH1 3.22Å; N127-R162 VanDerWaalsContact OD1-NH1 3.09Å; N127-R162 PolarHBondContact OD1-NH2 3.04Å; H157-R162 HydrophobicContact CB-CB 4.35Å; H157-R162 PolarHBondContact CE1-NH1 2.97Å; H157-R162 PolarHBondContact NE2-NH1 3.37Å; D159-R162 HydrophobicContact CB-CG 4.26Å; D159-R162 WeakPolarHBondContact O-CB 3.33Å; D159-R162 PolarHBondContact O-N 2.73Å; D159-R162 VanDerWaalsContact O-N 3.13Å; L160-R162 PolarHBondContact O-N 3.42Å; R162-L166 PolarHBondContact O-N 2.9Å; R162-L166 VanDerWaalsContact O-N 3.14Å
163	T	98.7	Very high	98.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-70.1	-42	174.1	-57.5	0	0	0	0	111.2	I154 I156 H157 L160 R161 L166 C167 I200	I154-T163 HydrophobicContact CD1-CG2 3.71Å; I156-T163 HydrophobicContact CG2-CG2 4.45Å; H157-T163 WeakPolarHBondContact CB-OG1 3.39Å; H157-T163 PolarHBondContact N-OG1 2.81Å; L160-T163 WeakPolarHBondContact O-CA 3.47Å; L160-T163 WeakPolarHBondContact O-CB 3.45Å; L160-T163 PolarHBondContact O-N 2.9Å; R161-T163 VanDerWaalsContact C-N 3.35Å; T163-L166 WeakPolarHBondContact O-CB 3.33Å; T163-L166 PolarHBondContact O-N 2.71Å; T163-C167 PolarHBondContact O-N 2.7Å; T163-C167 PolarHBondContact O-SG 2.95Å; T163-I200 HydrophobicContact CG2-CD1 3.47Å; T163-I200 VanDerWaalsContact CG2-CD1 3.47Å; T163-I200 HydrophobicContact CG2-CG1 4.1Å
164	V	98.8	Very high	98.4	Very high	25 Å²	25	49 Å²	49	15%	0.152	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-47.2	174.4	172.5	0	0	0	0	111.1	L160 R161 L166 C167 Q168 I200	L160-V164 PolarHBondContact O-N 3.41Å; R161-V164 PolarHBondContact O-N 3.3Å; V164-L166 VanDerWaalsContact C-N 3.33Å; V164-L166 PolarHBondContact O-N 2.65Å; V164-C167 PolarHBondContact O-N 2.82Å; V164-C167 VanDerWaalsContact O-N 3.07Å; V164-Q168 HydrophobicContact CG1-CG 4.28Å; V164-Q168 WeakPolarHBondContact O-CG 3.24Å; V164-Q168 PolarHBondContact O-N 3.4Å; V164-I200 HydrophobicContact CG2-CG1 4.44Å
165	D	98.8	Very high	98.4	Very high	60 Å²	60	49.2 Å²	49.2	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-55	-45.7	175.6	175.5	75.3	0	0	0	112.3	R161 C167 K169	R161-D165 WeakPolarHBondContact O-CB 3.28Å; R161-D165 PolarHBondContact O-N 2.79Å; D165-C167 PolarHBondContact O-N 3.21Å; D165-K169 WeakPolarHBondContact O-CB 3.46Å; D165-K169 WeakPolarHBondContact O-CG 3.42Å; D165-K169 PolarHBondContact O-N 3.46Å; D165-K169 WeakPolarHBondContact OD1-CE 3.47Å; D165-K169 IonicContact OD1-NZ 2.71Å; D165-K169 PolarHBondContact OD1-NZ 3.11Å; D165-K169 WeakPolarHBondContact OD2-CE 3.42Å; D165-K169 IonicContact OD2-NZ 3.36Å; D165-K169 PolarHBondContact OD2-NZ 3.28Å
166	L	98.8	Very high	98.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-45.9	174.7	173.4	68.8	0	0	0	112	I126 P129 V132 I154 R162 T163 V164 K169 A170	I126-L166 HydrophobicContact CB-CD2 4.13Å; I126-L166 HydrophobicContact CG2-CD2 4.31Å; P129-L166 HydrophobicContact CB-CB 4.25Å; P129-L166 HydrophobicContact CB-CD1 3.77Å; V132-L166 HydrophobicContact CB-CD1 3.87Å; V132-L166 HydrophobicContact CG1-CD1 4.04Å; V132-L166 HydrophobicContact CG2-CD1 4.01Å; I154-L166 HydrophobicContact CD1-CD2 4.48Å; I154-L166 HydrophobicContact CG2-CD2 3.96Å; R162-L166 PolarHBondContact O-N 2.9Å; R162-L166 VanDerWaalsContact O-N 3.14Å; T163-L166 WeakPolarHBondContact O-CB 3.33Å; T163-L166 PolarHBondContact O-N 2.71Å; V164-L166 VanDerWaalsContact C-N 3.33Å; V164-L166 PolarHBondContact O-N 2.65Å; L166-K169 PolarHBondContact O-N 3.37Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.32Å
167	C	98.9	Very high	98.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-45.7	-176.8	-65.3	0	0	0	0	111.5	T163 V164 D165 K169 A170 E171 I178 I200 V204	T163-C167 PolarHBondContact O-N 2.7Å; T163-C167 PolarHBondContact O-SG 2.95Å; V164-C167 PolarHBondContact O-N 2.82Å; V164-C167 VanDerWaalsContact O-N 3.07Å; D165-C167 PolarHBondContact O-N 3.21Å; C167-K169 VanDerWaalsContact C-N 3.33Å; C167-K169 PolarHBondContact O-N 2.7Å; C167-A170 PolarHBondContact O-N 2.73Å; C167-E171 WeakPolarHBondContact O-CB 3.42Å; C167-E171 PolarHBondContact O-N 3.36Å; C167-I178 HydrophobicContact CB-CD1 3.58Å; C167-I200 HydrophobicContact CB-CG2 4.29Å; C167-V204 HydrophobicContact CB-CG1 3.88Å
168	Q	98.8	Very high	98.4	Very high	92 Å²	92	46.2 Å²	46.2	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-36.2	177.8	-70.2	177.9	-22.2	0	0	112.2	V164 E171 S172 S203 V204	V164-Q168 HydrophobicContact CG1-CG 4.28Å; V164-Q168 WeakPolarHBondContact O-CG 3.24Å; V164-Q168 PolarHBondContact O-N 3.4Å; Q168-E171 PolarHBondContact O-N 3.42Å; Q168-S172 PolarHBondContact O-N 3.32Å; Q168-S203 PolarHBondContact NE2-O 3.35Å; Q168-S203 VanDerWaalsContact NE2-O 3.1Å; Q168-V204 HydrophobicContact CG-CG1 4.14Å
169	K	98.8	Very high	98.6	Very high	47 Å²	47	38.4 Å²	38.4	20%	0.204	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-43	173.7	-77.4	169.3	-179.9	168.5	0	112.2	P129 E130 K133 D165 L166 C167 E171 S172 A173	P129-K169 HydrophobicContact CB-CD 3.82Å; P129-K169 HydrophobicContact CG-CD 4.36Å; E130-K169 WeakPolarHBondContact OE1-CD 3.31Å; E130-K169 WeakPolarHBondContact OE1-CE 3.42Å; E130-K169 IonicContact OE1-NZ 3.86Å; E130-K169 PolarHBondContact OE1-NZ 3.2Å; E130-K169 VanDerWaalsContact OE1-NZ 3.07Å; K133-K169 HydrophobicContact CB-CB 4.36Å; K133-K169 HydrophobicContact CD-CB 4.33Å; D165-K169 WeakPolarHBondContact O-CB 3.46Å; D165-K169 WeakPolarHBondContact O-CG 3.42Å; D165-K169 PolarHBondContact O-N 3.46Å; D165-K169 WeakPolarHBondContact OD1-CE 3.47Å; D165-K169 IonicContact OD1-NZ 2.71Å; D165-K169 PolarHBondContact OD1-NZ 3.11Å; D165-K169 WeakPolarHBondContact OD2-CE 3.42Å; D165-K169 IonicContact OD2-NZ 3.36Å; D165-K169 PolarHBondContact OD2-NZ 3.28Å; L166-K169 PolarHBondContact O-N 3.37Å; C167-K169 VanDerWaalsContact C-N 3.33Å; C167-K169 PolarHBondContact O-N 2.7Å; K169-E171 VanDerWaalsContact C-N 3.34Å; K169-S172 PolarHBondContact O-N 3.14Å; K169-S172 PolarHBondContact O-OG 2.95Å; K169-A173 PolarHBondContact O-N 3.35Å
170	A	98.8	Very high	98.6	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-41.7	174.5	0	0	0	0	0	111.8	I152 L166 C167 A173 G174 V175	I152-A170 HydrophobicContact CD1-CB 3.65Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.32Å; C167-A170 PolarHBondContact O-N 2.73Å; A170-A173 WeakPolarHBondContact O-CB 3.38Å; A170-A173 PolarHBondContact O-N 3.3Å; A170-A173 VanDerWaalsContact O-N 3.13Å; A170-G174 PolarHBondContact O-N 3.46Å; A170-V175 HydrophobicContact CB-CB 4.24Å; A170-V175 HydrophobicContact CB-CG1 4.1Å; A170-V175 WeakPolarHBondContact O-CB 3.39Å; A170-V175 PolarHBondContact O-N 2.98Å; A170-V175 VanDerWaalsContact O-N 3.13Å
171	E	98.8	Very high	98.7	Very high	49 Å²	49	34.8 Å²	34.8	23%	0.229	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-47.8	171.9	176.3	170.8	-115.8	0	0	112	C167 Q168 K169 A173 G174 S205 V206	C167-E171 WeakPolarHBondContact O-CB 3.42Å; C167-E171 PolarHBondContact O-N 3.36Å; Q168-E171 PolarHBondContact O-N 3.42Å; K169-E171 VanDerWaalsContact C-N 3.34Å; E171-A173 PolarHBondContact O-N 3.24Å; E171-A173 VanDerWaalsContact O-N 3.1Å; E171-G174 PolarHBondContact O-N 3.18Å; E171-S205 WeakPolarHBondContact OE1-CA 3.41Å; E171-S205 WeakPolarHBondContact OE1-CB 3.45Å; E171-S205 PolarHBondContact OE1-N 3.15Å; E171-V206 HydrophobicContact CB-CG2 4.45Å; E171-V206 HydrophobicContact CG-CG1 4.02Å; E171-V206 HydrophobicContact CG-CG2 4.5Å; E171-V206 PolarHBondContact OE1-N 3.4Å
172	S	98.6	Very high	98.7	Very high	82 Å²	82	25.8 Å²	25.8	57%	0.573	14%	0.141	S	C	*	.	H	α-helix	trans	-61.7	-20.5	176.9	78.7	0	0	0	0	114.1	Q168 K169	Q168-S172 PolarHBondContact O-N 3.32Å; K169-S172 PolarHBondContact O-N 3.14Å; K169-S172 PolarHBondContact O-OG 2.95Å
173	A	98.4	Very high	98.6	Very high	12 Å²	12	21.2 Å²	21.2	10%	0.099	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.7	174.1	0	0	0	0	0	113.7	K133 V136 R137 K169 A170 E171	K133-A173 HydrophobicContact CB-CB 4.46Å; K133-A173 HydrophobicContact CG-CB 3.74Å; K133-A173 WeakPolarHBondContact O-CB 3.44Å; V136-A173 HydrophobicContact CB-CB 4.09Å; V136-A173 HydrophobicContact CG1-CB 3.93Å; R137-A173 HydrophobicContact CB-CB 4.08Å; K169-A173 PolarHBondContact O-N 3.35Å; A170-A173 WeakPolarHBondContact O-CB 3.38Å; A170-A173 PolarHBondContact O-N 3.3Å; A170-A173 VanDerWaalsContact O-N 3.13Å; E171-A173 PolarHBondContact O-N 3.24Å; E171-A173 VanDerWaalsContact O-N 3.1Å
174	G	97.9	Very high	98.6	Very high	35 Å²	35	21.6 Å²	21.6	36%	0.361	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	33.6	179.9	0	0	0	0	0	114	R140 A170 E171	R140-G174 WeakPolarHBondContact CD-O 3.45Å; A170-G174 PolarHBondContact O-N 3.46Å; E171-G174 PolarHBondContact O-N 3.18Å
175	V	98.6	Very high	98.4	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.024	13%	0.126	C	C	.	.			trans	-59.5	137.3	168.4	80.5	0	0	0	0	109.7	V136 A150 I152 A170 W177 I178 V206	V136-V175 HydrophobicContact CG1-CB 3.98Å; V136-V175 HydrophobicContact CG1-CG2 4.42Å; V136-V175 HydrophobicContact CG2-CG2 4.45Å; A150-V175 CarbonylContact O-C 3.34Å; A150-V175 WeakPolarHBondContact O-CA 3.45Å; A150-V175 WeakPolarHBondContact O-CG2 3.31Å; I152-V175 HydrophobicContact CG1-CG2 4.36Å; I152-V175 HydrophobicContact CG2-CG2 4.15Å; A170-V175 HydrophobicContact CB-CB 4.24Å; A170-V175 HydrophobicContact CB-CG1 4.1Å; A170-V175 WeakPolarHBondContact O-CB 3.39Å; A170-V175 PolarHBondContact O-N 2.98Å; A170-V175 VanDerWaalsContact O-N 3.13Å; V175-W177 WeakPolarHBondContact CG2-O 3.46Å; V175-I178 HydrophobicContact CG1-CD1 4.22Å; V175-I178 HydrophobicContact CG1-CG1 3.89Å; V175-V206 HydrophobicContact CG1-CG2 4.14Å; V175-V206 WeakPolarHBondContact O-CG1 3.38Å
176	S	98.4	Very high	98.2	Very high	12 Å²	12	24.6 Å²	24.6	8%	0.084	14%	0.14	C	C	.	.	S	Bend	trans	-74.4	-39.9	179.8	-56.6	0	0	0	0	112.1	M14 T149 A150 P207	M14-S176 WeakPolarHBondContact CE-O 3.39Å; T149-S176 WeakPolarHBondContact CA-OG 3.48Å; A150-S176 PolarHBondContact N-OG 3.23Å; A150-S176 PolarHBondContact O-N 2.83Å; S176-P207 WeakPolarHBondContact O-CD 3.34Å
177	W	98.8	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.			trans	-160.8	168.3	172.3	62.9	79.4	0	0	0	111	I13 M14 F17 F50 I80 T149 S151 I152 V175 P207 I209	I13-W177 HydrophobicContact CB-CZ3 4.42Å; I13-W177 HydrophobicContact CD1-CH2 4.32Å; I13-W177 HydrophobicContact CG2-CH2 4.04Å; I13-W177 HydrophobicContact CG2-CZ3 3.79Å; M14-W177 HydrophobicContact SD-CE3 3.96Å; M14-W177 HydrophobicContact SD-CZ3 4.17Å; F17-W177 HydrophobicContact CE2-CD2 4.19Å; F17-W177 AromaticContact CE2-CE3 3.75Å; F17-W177 HydrophobicContact CE2-CE3 3.75Å; F17-W177 HydrophobicContact CE2-CZ3 4.22Å; F17-W177 HydrophobicContact CZ-CD2 4.27Å; F17-W177 HydrophobicContact CZ-CE3 4.29Å; F17-W177 HydrophobicContact CZ-CG 4.41Å; F50-W177 HydrophobicContact CZ-CZ2 4.17Å; I80-W177 HydrophobicContact CD1-CH2 3.62Å; I80-W177 HydrophobicContact CD1-CZ2 3.83Å; I80-W177 HydrophobicContact CG1-CH2 4.24Å; I80-W177 HydrophobicContact CG1-CZ2 3.96Å; I80-W177 HydrophobicContact CG2-CZ2 4.48Å; T149-W177 VanDerWaalsContact CB-CZ3 3.48Å; T149-W177 HydrophobicContact CG2-CH2 4.14Å; T149-W177 HydrophobicContact CG2-CZ3 3.66Å; T149-W177 WeakPolarHBondContact OG1-CH2 3.41Å; S151-W177 WeakPolarHBondContact CB-O 3.34Å; S151-W177 WeakPolarHBondContact OG-CZ2 3.39Å; S151-W177 PolarHBondContact OG-NE1 3.15Å; I152-W177 PolarHBondContact N-O 3.46Å; V175-W177 WeakPolarHBondContact CG2-O 3.46Å; W177-P207 VanDerWaalsContact CA-O 3.25Å; W177-P207 WeakPolarHBondContact CA-O 3.3Å; W177-P207 HydrophobicContact CB-CB 3.93Å; W177-P207 WeakPolarHBondContact CB-O 3.43Å; W177-I209 HydrophobicContact CG-CD1 3.99Å
178	I	98.9	Very high	97.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.5	178.6	-57.1	176.1	0	0	0	109.7	I152 I154 C167 V175 V180 V206 P207 V208 I209	I152-I178 HydrophobicContact CD1-CG1 4.34Å; I152-I178 HydrophobicContact CD1-CG2 4.37Å; I152-I178 HydrophobicContact CG1-CB 4.43Å; I152-I178 HydrophobicContact CG1-CG1 4.11Å; I152-I178 HydrophobicContact CG1-CG2 4.07Å; I154-I178 HydrophobicContact CD1-CG2 4.1Å; I154-I178 HydrophobicContact CG1-CG2 4.25Å; C167-I178 HydrophobicContact CB-CD1 3.58Å; V175-I178 HydrophobicContact CG1-CD1 4.22Å; V175-I178 HydrophobicContact CG1-CG1 3.89Å; I178-V180 HydrophobicContact CG2-CG2 3.95Å; I178-V206 HydrophobicContact CD1-CG2 4.24Å; I178-V206 HydrophobicContact CG1-CG2 4.28Å; I178-P207 PolarHBondContact N-O 3.48Å; I178-V208 CarbonylContact O-C 3.6Å; I178-V208 VanDerWaalsContact O-CA 3.31Å; I178-V208 WeakPolarHBondContact O-CA 3.28Å; I178-I209 PolarHBondContact O-N 3.17Å
179	T	98.9	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.8	170.5	-58.5	0	0	0	0	110.4	I152 K153 I154 I209 N211 M233	I152-T179 PolarHBondContact O-N 3.21Å; K153-T179 CarbonylContact C-O 3.52Å; K153-T179 WeakPolarHBondContact CA-O 3.34Å; K153-T179 HydrophobicContact CD-CG2 4.17Å; K153-T179 HydrophobicContact CG-CG2 3.83Å; I154-T179 PolarHBondContact N-O 2.9Å; T179-I209 CarbonylContact C-O 3.55Å; T179-I209 WeakPolarHBondContact CA-O 3.27Å; T179-I209 HydrophobicContact CG2-CB 4.18Å; T179-I209 HydrophobicContact CG2-CG2 4.02Å; T179-N211 HydrophobicContact CG2-CB 4.06Å; T179-M233 HydrophobicContact CG2-CB 4.48Å; T179-M233 HydrophobicContact CG2-CE 3.72Å; T179-M233 HydrophobicContact CG2-SD 3.72Å
180	V	98.9	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.5	-177.9	-173.4	0	0	0	0	110.4	I154 I156 I178 G182 I197 I200 V208 I209 N211	I154-V180 HydrophobicContact CD1-CG2 4.14Å; I154-V180 HydrophobicContact CG1-CB 4.45Å; I154-V180 HydrophobicContact CG1-CG1 4.41Å; I154-V180 HydrophobicContact CG1-CG2 4.13Å; I156-V180 HydrophobicContact CG2-CG1 3.69Å; I178-V180 HydrophobicContact CG2-CG2 3.95Å; V180-G182 PolarHBondContact O-N 3.31Å; V180-I197 HydrophobicContact CB-CG1 4.29Å; V180-I197 HydrophobicContact CG1-CG1 3.93Å; V180-I200 HydrophobicContact CG1-CD1 3.77Å; V180-I200 HydrophobicContact CG2-CD1 4.2Å; V180-I200 HydrophobicContact CG2-CG2 4.03Å; V180-V208 HydrophobicContact CG2-CG1 3.94Å; V180-I209 PolarHBondContact N-O 3.44Å; V180-N211 PolarHBondContact O-N 2.89Å
181	H	98.6	Very high	96.2	Very high	19 Å²	19	43.9 Å²	43.9	9%	0.088	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	108.9	159.2	-171.3	166.6	0	0	0	108.6	I154 R155 I156 R183 N211	I154-H181 WeakPolarHBondContact O-CB 3.39Å; I154-H181 PolarHBondContact O-N 3.1Å; R155-H181 WeakPolarHBondContact CA-O 3.4Å; R155-H181 HydrophobicContact CG-CB 3.96Å; R155-H181 PolarHBondContact NH2-CE1 2.97Å; R155-H181 PolarHBondContact NH2-ND1 2.87Å; I156-H181 PolarHBondContact N-O 3.02Å; H181-R183 WeakPolarHBondContact NE2-CD 3.13Å; H181-R183 PolarHBondContact NE2-NH1 3.49Å; H181-R183 PolarHBondContact O-N 3.23Å; H181-N211 VanDerWaalsContact CA-O 3.32Å; H181-N211 WeakPolarHBondContact CA-O 3.44Å; H181-N211 HydrophobicContact CB-CB 4.41Å; H181-N211 PolarHBondContact CD2-O 3.28Å; H181-N211 VanDerWaalsContact CD2-O 3.32Å
182	G	98	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-68.2	38	179.7	0	0	0	0	0	115.4	V180 H193 N211	V180-G182 PolarHBondContact O-N 3.31Å; G182-H193 PolarHBondContact O-CD2 3.46Å; G182-H193 PolarHBondContact O-N 2.81Å; G182-N211 PolarHBondContact N-O 2.97Å
183	R	98.3	Very high	96.2	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.019	21%	0.213	C	C	.	.	S	Bend	trans	-132.3	144.8	172.2	-71.6	-175.5	176.4	115.5	-4.4	109.2	R155 I156 H181 E187 Q190 V192 D213	R155-R183 VanDerWaalsContact CB-O 3.23Å; R155-R183 WeakPolarHBondContact CB-O 3.39Å; R155-R183 WeakPolarHBondContact CD-O 3.41Å; R155-R183 VanDerWaalsContact CG-O 3.26Å; R155-R183 WeakPolarHBondContact CG-O 3.39Å; R155-R183 VanDerWaalsContact NH1-CB 3.35Å; I156-R183 VanDerWaalsContact CG1-C 3.49Å; I156-R183 PolarHBondContact N-O 2.85Å; H181-R183 WeakPolarHBondContact NE2-CD 3.13Å; H181-R183 PolarHBondContact NE2-NH1 3.49Å; H181-R183 PolarHBondContact O-N 3.23Å; R183-E187 WeakPolarHBondContact CA-OE2 3.24Å; R183-E187 HydrophobicContact CB-CB 3.98Å; R183-E187 VanDerWaalsContact CD-O 3.31Å; R183-E187 WeakPolarHBondContact CD-O 3.3Å; R183-E187 HydrophobicContact CG-CB 4.37Å; R183-Q190 PolarHBondContact NE-O 2.98Å; R183-Q190 PolarHBondContact NH2-O 3.19Å; R183-V192 HydrophobicContact CG-CG2 4.38Å; R183-D213 IonicContact CZ-OD1 2.82Å; R183-D213 VanDerWaalsContact CZ-OD1 3.25Å; R183-D213 IonicContact CZ-OD2 2.65Å; R183-D213 IonicContact NH1-OD1 3.21Å; R183-D213 PolarHBondContact NH1-OD1 3.34Å; R183-D213 IonicContact NH1-OD2 3.25Å; R183-D213 IonicContact NH2-OD1 2.79Å; R183-D213 PolarHBondContact NH2-OD1 3.3Å; R183-D213 IonicContact NH2-OD2 3.93Å; R183-D213 PolarHBondContact NH2-OD2 2.88Å
184	T	97.7	Very high	96.2	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.055	22%	0.217	C	C	.	.			trans	-68.3	169.5	168.8	83.6	0	0	0	0	111.1	R155 I156 K158 E186 E187	R155-T184 PolarHBondContact NH1-O 2.86Å; I156-T184 HydrophobicContact CG1-CG2 4.18Å; I156-T184 WeakPolarHBondContact O-CA 3.3Å; K158-T184 HydrophobicContact CG-CG2 4.02Å; T184-E186 WeakPolarHBondContact CB-OE2 3.36Å; T184-E186 PolarHBondContact O-N 3.11Å; T184-E186 PolarHBondContact OG1-N 3.42Å; T184-E186 PolarHBondContact OG1-OE2 2.62Å; T184-E187 PolarHBondContact N-OE2 3.15Å; T184-E187 PolarHBondContact O-N 2.94Å; T184-E187 WeakPolarHBondContact OG1-CG 3.5Å
185	A	94.4	Very high	96.2	Very high	18 Å²	18	46.8 Å²	46.8	15%	0.149	23%	0.228	C	C	.	.	S	Bend	trans	-62.7	-29.6	178.4	0	0	0	0	0	113	P112 A123	P112-A185 HydrophobicContact CB-CB 4.13Å; A123-A185 HydrophobicContact CB-CB 3.95Å
186	E	94.2	Very high	96.2	Very high	130 Å²	130	46.9 Å²	46.9	61%	0.607	23%	0.229	S	C	*	.	S	Bend	trans	-80.7	-22.9	180	-54.7	76.8	-160.6	0	0	112.7	T184 R188	T184-E186 WeakPolarHBondContact CB-OE2 3.36Å; T184-E186 PolarHBondContact O-N 3.11Å; T184-E186 PolarHBondContact OG1-N 3.42Å; T184-E186 PolarHBondContact OG1-OE2 2.62Å; E186-R188 PolarHBondContact O-N 3Å; E186-R188 VanDerWaalsContact O-N 3.17Å
187	E	93.8	Very high	96.2	Very high	37 Å²	37	46.3 Å²	46.3	17%	0.173	23%	0.225	C	C	.	.			trans	-82.9	90.4	-178.1	-71.1	177.7	148.6	0	0	111.4	R155 R183 T184 Q190 H193	R155-E187 PolarHBondContact NH1-O 3.15Å; R155-E187 VanDerWaalsContact NH1-O 3.11Å; R183-E187 WeakPolarHBondContact CA-OE2 3.24Å; R183-E187 HydrophobicContact CB-CB 3.98Å; R183-E187 VanDerWaalsContact CD-O 3.31Å; R183-E187 WeakPolarHBondContact CD-O 3.3Å; R183-E187 HydrophobicContact CG-CB 4.37Å; T184-E187 PolarHBondContact N-OE2 3.15Å; T184-E187 PolarHBondContact O-N 2.94Å; T184-E187 WeakPolarHBondContact OG1-CG 3.5Å; E187-Q190 HydrophobicContact CB-CB 4.05Å; E187-Q190 HydrophobicContact CB-CG 4.16Å; E187-Q190 HydrophobicContact CG-CB 4.04Å; E187-Q190 HydrophobicContact CG-CG 3.91Å; E187-H193 IonicContact OE1-CD2 3.3Å; E187-H193 IonicContact OE1-CE1 2.68Å; E187-H193 IonicContact OE1-NE2 3.62Å; E187-H193 PolarHBondContact OE1-NE2 2.63Å; E187-H193 IonicContact OE2-CD2 3.85Å; E187-H193 PolarHBondContact OE2-CD2 2.81Å; E187-H193 IonicContact OE2-NE2 3.07Å; E187-H193 PolarHBondContact OE2-NE2 2.77Å
188	R	83.6	Confident	96.2	Very high	151 Å²	151	50.1 Å²	50.1	57%	0.57	24%	0.241	S	C	*	.	S	Bend	trans	-82.7	-43.5	176.4	-68.4	-174.6	177.9	-168.6	-1.6	113.6	E186	E186-R188 PolarHBondContact O-N 3Å; E186-R188 VanDerWaalsContact O-N 3.17Å
189	H	85.3	Confident	96.2	Very high	159 Å²	159	53.2 Å²	53.2	74%	0.736	26%	0.26	S	S	*	.	S	Bend	trans	-124.3	8.2	-172.8	-58.5	-72.5	0	0	0	113.5
190	Q	95.1	Very high	96.2	Very high	107 Å²	107	53.2 Å²	53.2	50%	0.5	26%	0.26	S	S	.	.	S	Bend	trans	-74	158.9	175.6	-61.3	-54.3	-31.7	0	0	110.9	R183 E187	R183-Q190 PolarHBondContact NE-O 2.98Å; R183-Q190 PolarHBondContact NH2-O 3.19Å; E187-Q190 HydrophobicContact CB-CB 4.05Å; E187-Q190 HydrophobicContact CB-CG 4.16Å; E187-Q190 HydrophobicContact CG-CB 4.04Å; E187-Q190 HydrophobicContact CG-CG 3.91Å
191	P	95.6	Very high	96.2	Very high	92 Å²	92	54.9 Å²	54.9	60%	0.597	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-53.8	159.6	170.6	-26.3	36.3	0	0	0	112.9
192	V	97.6	Very high	96.2	Very high	15 Å²	15	59 Å²	59	9%	0.091	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-84.8	132.5	174.8	-180	0	0	0	0	109.1	R183 Y194 I197 D213	R183-V192 HydrophobicContact CG-CG2 4.38Å; V192-Y194 HydrophobicContact CB-CD2 4.22Å; V192-Y194 HydrophobicContact CB-CE2 3.83Å; V192-Y194 HydrophobicContact CG1-CD1 4.28Å; V192-Y194 HydrophobicContact CG1-CD2 4.28Å; V192-Y194 HydrophobicContact CG1-CE1 4.1Å; V192-Y194 HydrophobicContact CG1-CE2 4.11Å; V192-Y194 HydrophobicContact CG1-CG 4.36Å; V192-Y194 WeakPolarHBondContact O-CD2 3.15Å; V192-Y194 PolarHBondContact O-N 3Å; V192-Y194 VanDerWaalsContact O-N 3.17Å; V192-I197 HydrophobicContact CG1-CD1 4.06Å; V192-D213 HydrophobicContact CG2-CB 3.94Å
193	H	98.3	Very high	96.2	Very high	68 Å²	68	60.3 Å²	60.3	32%	0.315	30%	0.299	S	S	.	.			trans	-82.1	83.4	175	-58.9	-83.7	0	0	0	109.9	I156 G182 E187 D195 A196 I197	I156-H193 HydrophobicContact CD1-CB 3.9Å; G182-H193 PolarHBondContact O-CD2 3.46Å; G182-H193 PolarHBondContact O-N 2.81Å; E187-H193 IonicContact OE1-CD2 3.3Å; E187-H193 IonicContact OE1-CE1 2.68Å; E187-H193 IonicContact OE1-NE2 3.62Å; E187-H193 PolarHBondContact OE1-NE2 2.63Å; E187-H193 IonicContact OE2-CD2 3.85Å; E187-H193 PolarHBondContact OE2-CD2 2.81Å; E187-H193 IonicContact OE2-NE2 3.07Å; E187-H193 PolarHBondContact OE2-NE2 2.77Å; H193-D195 VanDerWaalsContact C-N 3.32Å; H193-D195 WeakPolarHBondContact CA-OD1 3.46Å; H193-A196 HydrophobicContact CB-CB 3.89Å; H193-A196 WeakPolarHBondContact O-CB 3.41Å; H193-A196 PolarHBondContact O-N 3.33Å; H193-I197 PolarHBondContact O-N 2.87Å
194	Y	98.4	Very high	96.2	Very high	49 Å²	49	60.7 Å²	60.7	19%	0.192	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-27.9	179.6	-71.6	-76.1	0	0	0	113.2	V192 A196 I197 K198 G212 T223 L226 T227	V192-Y194 HydrophobicContact CB-CD2 4.22Å; V192-Y194 HydrophobicContact CB-CE2 3.83Å; V192-Y194 HydrophobicContact CG1-CD1 4.28Å; V192-Y194 HydrophobicContact CG1-CD2 4.28Å; V192-Y194 HydrophobicContact CG1-CE1 4.1Å; V192-Y194 HydrophobicContact CG1-CE2 4.11Å; V192-Y194 HydrophobicContact CG1-CG 4.36Å; V192-Y194 WeakPolarHBondContact O-CD2 3.15Å; V192-Y194 PolarHBondContact O-N 3Å; V192-Y194 VanDerWaalsContact O-N 3.17Å; Y194-A196 VanDerWaalsContact C-N 3.33Å; Y194-I197 HydrophobicContact CD1-CD1 4.05Å; Y194-I197 WeakPolarHBondContact O-CB 3.26Å; Y194-I197 PolarHBondContact O-N 2.9Å; Y194-K198 PolarHBondContact O-N 3.17Å; Y194-G212 PolarHBondContact OH-O 3.09Å; Y194-T223 HydrophobicContact CD1-CG2 3.92Å; Y194-T223 HydrophobicContact CE1-CG2 3.66Å; Y194-L226 HydrophobicContact CD2-CD2 4.4Å; Y194-L226 HydrophobicContact CG-CD2 4.05Å; Y194-T227 HydrophobicContact CD1-CG2 4.19Å; Y194-T227 WeakPolarHBondContact O-CG2 3.45Å
195	D	98.3	Very high	96.2	Very high	108 Å²	108	65.5 Å²	65.5	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-61.7	-39.8	170.9	63	-40.9	0	0	0	112.1	H193 K198 T199	H193-D195 VanDerWaalsContact C-N 3.32Å; H193-D195 WeakPolarHBondContact CA-OD1 3.46Å; D195-K198 PolarHBondContact O-N 2.93Å; D195-T199 PolarHBondContact O-N 3.41Å; D195-T199 PolarHBondContact O-OG1 3.09Å
196	A	98.6	Very high	96.4	Very high	6 Å²	6	65.8 Å²	65.8	5%	0.05	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-41.6	173.1	0	0	0	0	0	111.4	I156 L160 H193 Y194 T199 I200	I156-A196 HydrophobicContact CD1-CB 3.98Å; I156-A196 HydrophobicContact CG2-CB 4.42Å; L160-A196 HydrophobicContact CD1-CB 3.87Å; L160-A196 HydrophobicContact CD2-CB 4.18Å; H193-A196 HydrophobicContact CB-CB 3.89Å; H193-A196 WeakPolarHBondContact O-CB 3.41Å; H193-A196 PolarHBondContact O-N 3.33Å; Y194-A196 VanDerWaalsContact C-N 3.33Å; A196-T199 PolarHBondContact O-N 3.12Å; A196-I200 WeakPolarHBondContact O-CD1 3.47Å; A196-I200 VanDerWaalsContact O-CG1 3.32Å; A196-I200 WeakPolarHBondContact O-CG1 3.45Å; A196-I200 PolarHBondContact O-N 3.18Å
197	I	98.8	Very high	96.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-45.9	174.5	-63.6	172	0	0	0	110.3	V180 V192 H193 Y194 T199 I200 K201 A210 T227 V229	V180-I197 HydrophobicContact CB-CG1 4.29Å; V180-I197 HydrophobicContact CG1-CG1 3.93Å; V192-I197 HydrophobicContact CG1-CD1 4.06Å; H193-I197 PolarHBondContact O-N 2.87Å; Y194-I197 HydrophobicContact CD1-CD1 4.05Å; Y194-I197 WeakPolarHBondContact O-CB 3.26Å; Y194-I197 PolarHBondContact O-N 2.9Å; I197-T199 PolarHBondContact O-N 2.92Å; I197-I200 PolarHBondContact O-N 2.86Å; I197-K201 PolarHBondContact O-N 3.23Å; I197-A210 HydrophobicContact CD1-CB 4.11Å; I197-A210 HydrophobicContact CG2-CB 4.08Å; I197-T227 HydrophobicContact CG2-CG2 4.49Å; I197-V229 HydrophobicContact CG2-CG1 3.59Å
198	K	98.8	Very high	96.9	Very high	80 Å²	80	58.6 Å²	58.6	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-58	-48	176	177.4	164.2	175.3	42.6	0	111.8	Y194 D195 I200 K201 D202 T227	Y194-K198 PolarHBondContact O-N 3.17Å; D195-K198 PolarHBondContact O-N 2.93Å; K198-I200 PolarHBondContact O-N 2.99Å; K198-K201 PolarHBondContact O-N 3.09Å; K198-K201 VanDerWaalsContact O-N 3.11Å; K198-D202 WeakPolarHBondContact CE-OD2 3.34Å; K198-D202 WeakPolarHBondContact CG-OD2 3.34Å; K198-D202 IonicContact NZ-OD1 2.86Å; K198-D202 PolarHBondContact NZ-OD1 3.22Å; K198-D202 VanDerWaalsContact NZ-OD1 3.1Å; K198-D202 IonicContact NZ-OD2 2.96Å; K198-D202 PolarHBondContact NZ-OD2 3.27Å; K198-D202 VanDerWaalsContact O-CG 3.28Å; K198-D202 PolarHBondContact O-N 2.89Å; K198-T227 HydrophobicContact CB-CG2 4.3Å
199	T	98.8	Very high	97.6	Very high	65 Å²	65	51.4 Å²	51.4	40%	0.399	28%	0.277	S	S	.	.	H	α-helix	trans	-57.8	-38.9	178.4	-57.4	0	0	0	0	111.6	L160 D195 A196 I197 S203	L160-T199 HydrophobicContact CD2-CG2 3.72Å; L160-T199 HydrophobicContact CG-CG2 4.45Å; D195-T199 PolarHBondContact O-N 3.41Å; D195-T199 PolarHBondContact O-OG1 3.09Å; A196-T199 PolarHBondContact O-N 3.12Å; I197-T199 PolarHBondContact O-N 2.92Å; T199-S203 WeakPolarHBondContact O-CB 3.23Å; T199-S203 PolarHBondContact O-N 3.34Å
200	I	98.8	Very high	98.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-47	175.9	-66.2	157.8	0	0	0	110.6	I156 L160 T163 V164 C167 V180 A196 I197 K198 D202 S203 V204	I156-I200 HydrophobicContact CG2-CD1 3.98Å; L160-I200 HydrophobicContact CD1-CD1 4.09Å; L160-I200 HydrophobicContact CD1-CG1 4.22Å; T163-I200 HydrophobicContact CG2-CD1 3.47Å; T163-I200 VanDerWaalsContact CG2-CD1 3.47Å; T163-I200 HydrophobicContact CG2-CG1 4.1Å; V164-I200 HydrophobicContact CG2-CG1 4.44Å; C167-I200 HydrophobicContact CB-CG2 4.29Å; V180-I200 HydrophobicContact CG1-CD1 3.77Å; V180-I200 HydrophobicContact CG2-CD1 4.2Å; V180-I200 HydrophobicContact CG2-CG2 4.03Å; A196-I200 WeakPolarHBondContact O-CD1 3.47Å; A196-I200 VanDerWaalsContact O-CG1 3.32Å; A196-I200 WeakPolarHBondContact O-CG1 3.45Å; A196-I200 PolarHBondContact O-N 3.18Å; I197-I200 PolarHBondContact O-N 2.86Å; K198-I200 PolarHBondContact O-N 2.99Å; I200-D202 VanDerWaalsContact C-N 3.26Å; I200-D202 PolarHBondContact O-N 2.94Å; I200-S203 WeakPolarHBondContact CA-OG 3.47Å; I200-S203 PolarHBondContact O-N 3.3Å; I200-S203 PolarHBondContact O-OG 2.94Å; I200-V204 PolarHBondContact O-N 3.47Å
201	K	98.6	Very high	98.4	Very high	34 Å²	34	39.2 Å²	39.2	15%	0.148	22%	0.22	C	C	.	.	H	α-helix	trans	-55.8	-40.4	176	173	60.1	-165.6	176.7	0	112.2	I197 K198 S203 V208 G228 V229 D230	I197-K201 PolarHBondContact O-N 3.23Å; K198-K201 PolarHBondContact O-N 3.09Å; K198-K201 VanDerWaalsContact O-N 3.11Å; K201-S203 PolarHBondContact O-N 3.2Å; K201-V208 HydrophobicContact CB-CB 4.22Å; K201-V208 HydrophobicContact CB-CG1 4.43Å; K201-V208 HydrophobicContact CB-CG2 4.33Å; K201-V208 HydrophobicContact CD-CB 3.84Å; K201-V208 HydrophobicContact CD-CG2 3.96Å; K201-G228 WeakPolarHBondContact CE-O 3.25Å; K201-V229 HydrophobicContact CB-CG1 4.37Å; K201-D230 WeakPolarHBondContact CE-OD2 3.48Å; K201-D230 IonicContact NZ-OD1 3.1Å; K201-D230 PolarHBondContact NZ-OD1 2.82Å; K201-D230 IonicContact NZ-OD2 2.78Å; K201-D230 PolarHBondContact NZ-OD2 3.14Å
202	D	98.6	Very high	98.4	Very high	105 Å²	105	35 Å²	35	56%	0.561	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.6	178.7	-63.5	-19.9	0	0	0	112.7	K198 I200	K198-D202 WeakPolarHBondContact CE-OD2 3.34Å; K198-D202 WeakPolarHBondContact CG-OD2 3.34Å; K198-D202 IonicContact NZ-OD1 2.86Å; K198-D202 PolarHBondContact NZ-OD1 3.22Å; K198-D202 VanDerWaalsContact NZ-OD1 3.1Å; K198-D202 IonicContact NZ-OD2 2.96Å; K198-D202 PolarHBondContact NZ-OD2 3.27Å; K198-D202 VanDerWaalsContact O-CG 3.28Å; K198-D202 PolarHBondContact O-N 2.89Å; I200-D202 VanDerWaalsContact C-N 3.26Å; I200-D202 PolarHBondContact O-N 2.94Å
203	S	98.7	Very high	98.3	Very high	28 Å²	28	37 Å²	37	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.3	-174.3	75.5	0	0	0	0	115.5	Q168 T199 I200 K201	Q168-S203 PolarHBondContact NE2-O 3.35Å; Q168-S203 VanDerWaalsContact NE2-O 3.1Å; T199-S203 WeakPolarHBondContact O-CB 3.23Å; T199-S203 PolarHBondContact O-N 3.34Å; I200-S203 WeakPolarHBondContact CA-OG 3.47Å; I200-S203 PolarHBondContact O-N 3.3Å; I200-S203 PolarHBondContact O-OG 2.94Å; K201-S203 PolarHBondContact O-N 3.2Å
204	V	98.7	Very high	98.3	Very high	13 Å²	13	34 Å²	34	8%	0.079	19%	0.19	C	C	.	.			trans	-134.6	157.1	-179.7	-61.9	0	0	0	0	110.2	C167 Q168 I200 V206 V208	C167-V204 HydrophobicContact CB-CG1 3.88Å; Q168-V204 HydrophobicContact CG-CG1 4.14Å; I200-V204 PolarHBondContact O-N 3.47Å; V204-V206 HydrophobicContact CB-CG2 4.22Å; V204-V206 HydrophobicContact CG2-CG2 4.08Å; V204-V208 HydrophobicContact CG2-CG2 3.6Å
205	S	98.2	Very high	98.2	Very high	111 Å²	111	36.3 Å²	36.3	78%	0.776	20%	0.202	S	C	*	.	S	Bend	trans	-94.8	-27	177.7	-54.8	0	0	0	0	112.9	E171	E171-S205 WeakPolarHBondContact OE1-CA 3.41Å; E171-S205 WeakPolarHBondContact OE1-CB 3.45Å; E171-S205 PolarHBondContact OE1-N 3.15Å
206	V	98.1	Very high	98.2	Very high	24 Å²	24	33.5 Å²	33.5	15%	0.145	18%	0.183	C	C	.	.	S	Bend	trans	-63.8	154.8	174.6	-64.4	0	0	0	0	111.9	E171 V175 I178 V204	E171-V206 HydrophobicContact CB-CG2 4.45Å; E171-V206 HydrophobicContact CG-CG1 4.02Å; E171-V206 HydrophobicContact CG-CG2 4.5Å; E171-V206 PolarHBondContact OE1-N 3.4Å; V175-V206 HydrophobicContact CG1-CG2 4.14Å; V175-V206 WeakPolarHBondContact O-CG1 3.38Å; I178-V206 HydrophobicContact CD1-CG2 4.24Å; I178-V206 HydrophobicContact CG1-CG2 4.28Å; V204-V206 HydrophobicContact CB-CG2 4.22Å; V204-V206 HydrophobicContact CG2-CG2 4.08Å
207	P	98.6	Very high	98.2	Very high	15 Å²	15	35.5 Å²	35.5	10%	0.097	19%	0.193	C	C	.	.			trans	-55.1	142.3	173.7	-27.1	34.7	0	0	0	113.2	M14 F17 S176 W177 I178 D230	M14-P207 HydrophobicContact CE-CG 3.77Å; F17-P207 HydrophobicContact CB-CB 4.45Å; F17-P207 HydrophobicContact CB-CG 3.97Å; F17-P207 HydrophobicContact CD1-CB 3.78Å; F17-P207 HydrophobicContact CD1-CG 4.21Å; F17-P207 HydrophobicContact CD2-CB 4.29Å; F17-P207 HydrophobicContact CD2-CG 4.08Å; F17-P207 HydrophobicContact CE1-CB 3.98Å; F17-P207 HydrophobicContact CE2-CB 4.48Å; F17-P207 HydrophobicContact CG-CB 3.93Å; F17-P207 HydrophobicContact CG-CG 3.84Å; F17-P207 HydrophobicContact CZ-CB 4.33Å; S176-P207 WeakPolarHBondContact O-CD 3.34Å; W177-P207 VanDerWaalsContact CA-O 3.25Å; W177-P207 WeakPolarHBondContact CA-O 3.3Å; W177-P207 HydrophobicContact CB-CB 3.93Å; W177-P207 WeakPolarHBondContact CB-O 3.43Å; I178-P207 PolarHBondContact N-O 3.48Å; P207-D230 WeakPolarHBondContact CA-OD2 3.4Å; P207-D230 HydrophobicContact CB-CB 3.97Å
208	V	98.8	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134	174.2	179.2	0	0	0	0	109.3	I178 V180 K201 V204 V229 D230 G231	I178-V208 CarbonylContact O-C 3.6Å; I178-V208 VanDerWaalsContact O-CA 3.31Å; I178-V208 WeakPolarHBondContact O-CA 3.28Å; V180-V208 HydrophobicContact CG2-CG1 3.94Å; K201-V208 HydrophobicContact CB-CB 4.22Å; K201-V208 HydrophobicContact CB-CG1 4.43Å; K201-V208 HydrophobicContact CB-CG2 4.33Å; K201-V208 HydrophobicContact CD-CB 3.84Å; K201-V208 HydrophobicContact CD-CG2 3.96Å; V204-V208 HydrophobicContact CG2-CG2 3.6Å; V208-V229 HydrophobicContact CB-CG1 4.41Å; V208-V229 HydrophobicContact CG1-CG1 4.08Å; V208-V229 WeakPolarHBondContact O-CB 3.34Å; V208-D230 PolarHBondContact N-OD2 2.97Å; V208-D230 PolarHBondContact O-N 3.26Å; V208-G231 PolarHBondContact O-N 2.76Å
209	I	98.9	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.9	177.5	-62.9	159.3	0	0	0	109.1	F17 I25 W177 I178 T179 V180 G231 M233	F17-I209 HydrophobicContact CE1-CD1 4.46Å; F17-I209 HydrophobicContact CE1-CG1 4.24Å; F17-I209 HydrophobicContact CZ-CD1 4.12Å; F17-I209 HydrophobicContact CZ-CG1 4.39Å; I25-I209 HydrophobicContact CD1-CD1 3.35Å; I25-I209 HydrophobicContact CD1-CG1 3.73Å; I25-I209 HydrophobicContact CD1-CG2 3.96Å; W177-I209 HydrophobicContact CG-CD1 3.99Å; I178-I209 PolarHBondContact O-N 3.17Å; T179-I209 CarbonylContact C-O 3.55Å; T179-I209 WeakPolarHBondContact CA-O 3.27Å; T179-I209 HydrophobicContact CG2-CB 4.18Å; T179-I209 HydrophobicContact CG2-CG2 4.02Å; V180-I209 PolarHBondContact N-O 3.44Å; I209-G231 CarbonylContact C-O 3.58Å; I209-G231 VanDerWaalsContact CA-O 3.27Å; I209-G231 WeakPolarHBondContact CA-O 3.47Å; I209-M233 HydrophobicContact CG2-CB 3.62Å
210	A	98.8	Very high	98.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.9	172.3	0	0	0	0	0	111.5	I197 T223 V229 G231 V232 M233	I197-A210 HydrophobicContact CD1-CB 4.11Å; I197-A210 HydrophobicContact CG2-CB 4.08Å; A210-T223 HydrophobicContact CB-CG2 3.42Å; A210-T223 VanDerWaalsContact CB-CG2 3.42Å; A210-V229 HydrophobicContact CB-CB 4.37Å; A210-V229 HydrophobicContact CB-CG1 4.14Å; A210-V229 HydrophobicContact CB-CG2 3.84Å; A210-G231 PolarHBondContact N-O 3.48Å; A210-V232 WeakPolarHBondContact O-CA 3.47Å; A210-M233 PolarHBondContact O-N 3.41Å
211	N	98.7	Very high	97.9	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.7	172.1	179.7	-124.8	0	0	0	111.5	K153 T179 V180 H181 G182 M233	K153-N211 WeakPolarHBondContact CE-OD1 3.35Å; K153-N211 PolarHBondContact NZ-OD1 3.06Å; T179-N211 HydrophobicContact CG2-CB 4.06Å; V180-N211 PolarHBondContact O-N 2.89Å; H181-N211 VanDerWaalsContact CA-O 3.32Å; H181-N211 WeakPolarHBondContact CA-O 3.44Å; H181-N211 HydrophobicContact CB-CB 4.41Å; H181-N211 PolarHBondContact CD2-O 3.28Å; H181-N211 VanDerWaalsContact CD2-O 3.32Å; G182-N211 PolarHBondContact N-O 2.97Å; N211-M233 HydrophobicContact CB-CB 4.18Å; N211-M233 PolarHBondContact ND2-O 3.29Å
212	G	96.2	Very high	97.9	Very high	5 Å²	5	41.8 Å²	41.8	5%	0.052	22%	0.223	C	C	.	.	S	Bend	trans	133.3	131.2	177	0	0	0	0	0	111.2	Y194 I214	Y194-G212 PolarHBondContact OH-O 3.09Å; G212-I214 VanDerWaalsContact O-CD1 3.32Å; G212-I214 WeakPolarHBondContact O-CD1 3.34Å; G212-I214 WeakPolarHBondContact O-CG1 3.16Å; G212-I214 PolarHBondContact O-N 3.16Å
213	D	95.6	Very high	97.9	Very high	55 Å²	55	37 Å²	37	29%	0.294	20%	0.198	S	C	.	.	S	Bend	trans	55.6	17.5	172.4	-67	5.1	0	0	0	118.3	R183 V192 K215 R236	R183-D213 IonicContact CZ-OD1 2.82Å; R183-D213 VanDerWaalsContact CZ-OD1 3.25Å; R183-D213 IonicContact CZ-OD2 2.65Å; R183-D213 IonicContact NH1-OD1 3.21Å; R183-D213 PolarHBondContact NH1-OD1 3.34Å; R183-D213 IonicContact NH1-OD2 3.25Å; R183-D213 IonicContact NH2-OD1 2.79Å; R183-D213 PolarHBondContact NH2-OD1 3.3Å; R183-D213 IonicContact NH2-OD2 3.93Å; R183-D213 PolarHBondContact NH2-OD2 2.88Å; V192-D213 HydrophobicContact CG2-CB 3.94Å; D213-K215 PolarHBondContact O-N 3.47Å; D213-R236 IonicContact OD1-NH2 3.11Å; D213-R236 PolarHBondContact OD1-NH2 3.31Å
214	I	98	Very high	97.8	Very high	6 Å²	6	39 Å²	39	3%	0.031	20%	0.204	C	C	.	.			trans	-74.9	117.4	171.5	-42.4	-57.8	0	0	0	109.6	G212 D219 V220 T223 V232 A234 M244	G212-I214 VanDerWaalsContact O-CD1 3.32Å; G212-I214 WeakPolarHBondContact O-CD1 3.34Å; G212-I214 WeakPolarHBondContact O-CG1 3.16Å; G212-I214 PolarHBondContact O-N 3.16Å; I214-D219 HydrophobicContact CD1-CB 4.33Å; I214-D219 HydrophobicContact CG2-CB 4.02Å; I214-V220 HydrophobicContact CG2-CG2 3.97Å; I214-T223 WeakPolarHBondContact CD1-OG1 3.28Å; I214-V232 HydrophobicContact CB-CG1 4.24Å; I214-V232 HydrophobicContact CD1-CG1 3.52Å; I214-V232 HydrophobicContact CG1-CG1 3.46Å; I214-V232 VanDerWaalsContact CG1-CG1 3.46Å; I214-V232 HydrophobicContact CG2-CG1 3.81Å; I214-A234 HydrophobicContact CB-CB 4.06Å; I214-A234 HydrophobicContact CG2-CB 4.1Å; I214-M244 HydrophobicContact CG2-CE 3.92Å
215	K	96.8	Very high	97.8	Very high	98 Å²	98	45.8 Å²	45.8	43%	0.426	24%	0.235	S	C	.	.			trans	-126.8	-22.5	-177.9	-65.2	176.6	-174.8	174.5	0	113.3	D213 D219 M244	D213-K215 PolarHBondContact O-N 3.47Å; K215-D219 WeakPolarHBondContact CA-OD2 3.49Å; K215-D219 PolarHBondContact N-OD2 3.28Å; K215-M244 WeakPolarHBondContact O-CE 3.45Å
216	Y	97.8	Very high	97.7	Very high	49 Å²	49	45.6 Å²	45.6	19%	0.192	22%	0.224	C	C	.	.	S	Bend	trans	-136.4	164.6	-177	-53	-77.2	0	0	0	111.5	R218 D219 E249 R283	Y216-R218 VanDerWaalsContact C-N 3.3Å; Y216-R218 VanDerWaalsContact CG-CZ 3.47Å; Y216-R218 PolarHBondContact O-N 3.37Å; Y216-D219 WeakPolarHBondContact CD2-OD2 3.42Å; Y216-D219 PolarHBondContact N-OD2 3.48Å; Y216-D219 WeakPolarHBondContact O-CB 3.38Å; Y216-D219 PolarHBondContact O-N 3.44Å; Y216-D219 VanDerWaalsContact O-N 3.1Å; Y216-E249 WeakPolarHBondContact CD1-OE2 3.33Å; Y216-E249 WeakPolarHBondContact CE1-OE2 3.43Å; Y216-R283 PolarHBondContact OH-NH1 3.3Å
217	L	97.9	Very high	97.7	Very high	48 Å²	48	44.4 Å²	44.4	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-59.6	-40.7	174.3	-175.9	60.1	0	0	0	112.1	K24 D219 V220 E221	K24-L217 HydrophobicContact CD-CD1 3.86Å; L217-D219 PolarHBondContact O-N 3.14Å; L217-D219 VanDerWaalsContact O-N 3.14Å; L217-V220 VanDerWaalsContact O-CB 3.25Å; L217-V220 WeakPolarHBondContact O-CB 3.49Å; L217-V220 PolarHBondContact O-N 3.34Å; L217-E221 PolarHBondContact O-N 2.87Å
218	R	97.8	Very high	97.7	Very high	106 Å²	106	45.4 Å²	45.4	40%	0.4	23%	0.231	S	C	.	.	H	α-helix	trans	-56.3	-28.7	174.6	60.3	172.7	169	-82.5	0.8	113.9	Y216 V220 E221 S222 E249	Y216-R218 VanDerWaalsContact C-N 3.3Å; Y216-R218 VanDerWaalsContact CG-CZ 3.47Å; Y216-R218 PolarHBondContact O-N 3.37Å; R218-V220 VanDerWaalsContact C-N 3.31Å; R218-E221 PolarHBondContact O-N 3.33Å; R218-S222 VanDerWaalsContact O-CB 3.29Å; R218-S222 WeakPolarHBondContact O-CB 3.5Å; R218-S222 PolarHBondContact O-N 3.18Å; R218-S222 PolarHBondContact O-OG 3.09Å; R218-E249 IonicContact CZ-OE1 3.83Å; R218-E249 IonicContact CZ-OE2 2.88Å; R218-E249 IonicContact NH1-OE1 3.32Å; R218-E249 PolarHBondContact NH1-OE1 3.24Å; R218-E249 IonicContact NH1-OE2 2.86Å; R218-E249 PolarHBondContact NH1-OE2 2.69Å; R218-E249 IonicContact NH2-OE2 3.45Å; R218-E249 PolarHBondContact NH2-OE2 3.01Å
219	D	98.1	Very high	97.7	Very high	38 Å²	38	45.4 Å²	45.4	20%	0.203	23%	0.231	C	C	.	.	H	α-helix	trans	-71.9	-30.6	178.6	-57.9	-28.4	0	0	0	110.7	I214 K215 Y216 L217 T223	I214-D219 HydrophobicContact CD1-CB 4.33Å; I214-D219 HydrophobicContact CG2-CB 4.02Å; K215-D219 WeakPolarHBondContact CA-OD2 3.49Å; K215-D219 PolarHBondContact N-OD2 3.28Å; Y216-D219 WeakPolarHBondContact CD2-OD2 3.42Å; Y216-D219 PolarHBondContact N-OD2 3.48Å; Y216-D219 WeakPolarHBondContact O-CB 3.38Å; Y216-D219 PolarHBondContact O-N 3.44Å; Y216-D219 VanDerWaalsContact O-N 3.1Å; L217-D219 PolarHBondContact O-N 3.14Å; L217-D219 VanDerWaalsContact O-N 3.14Å; D219-T223 WeakPolarHBondContact O-CB 3.42Å; D219-T223 PolarHBondContact O-N 3.08Å; D219-T223 PolarHBondContact O-OG1 3.34Å
220	V	98.2	Very high	97.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-52.3	173.6	174.3	0	0	0	0	109.9	V22 K24 I214 L217 R218 T223 H224 V232 F245	V22-V220 HydrophobicContact CB-CG1 4.48Å; V22-V220 HydrophobicContact CG1-CG1 3.69Å; V22-V220 HydrophobicContact CG2-CG1 3.92Å; K24-V220 HydrophobicContact CG-CG1 4.19Å; I214-V220 HydrophobicContact CG2-CG2 3.97Å; L217-V220 VanDerWaalsContact O-CB 3.25Å; L217-V220 WeakPolarHBondContact O-CB 3.49Å; L217-V220 PolarHBondContact O-N 3.34Å; R218-V220 VanDerWaalsContact C-N 3.31Å; V220-T223 PolarHBondContact O-N 2.94Å; V220-H224 WeakPolarHBondContact O-CB 3.44Å; V220-H224 PolarHBondContact O-N 2.94Å; V220-V232 HydrophobicContact CB-CB 4.32Å; V220-V232 HydrophobicContact CB-CG1 4.43Å; V220-V232 HydrophobicContact CB-CG2 4.48Å; V220-V232 HydrophobicContact CG1-CB 3.93Å; V220-V232 HydrophobicContact CG1-CG2 3.98Å; V220-V232 HydrophobicContact CG2-CB 4.16Å; V220-V232 HydrophobicContact CG2-CG1 3.98Å; V220-F245 HydrophobicContact CG2-CD1 4.15Å; V220-F245 HydrophobicContact CG2-CE1 3.69Å
221	E	95.9	Very high	97.6	Very high	100 Å²	100	47.2 Å²	47.2	47%	0.467	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-47.2	-179.1	-65.4	171.2	-177.9	0	0	111.3	L217 R218 T223 H224 Q225	L217-E221 PolarHBondContact O-N 2.87Å; R218-E221 PolarHBondContact O-N 3.33Å; E221-T223 VanDerWaalsContact C-N 3.35Å; E221-T223 PolarHBondContact O-N 3.22Å; E221-H224 PolarHBondContact O-N 3.48Å; E221-Q225 WeakPolarHBondContact O-CB 3.48Å; E221-Q225 VanDerWaalsContact O-CG 3.27Å; E221-Q225 WeakPolarHBondContact O-CG 3.16Å; E221-Q225 PolarHBondContact O-N 2.8Å
222	S	97.4	Very high	97.6	Very high	64 Å²	64	46.8 Å²	46.8	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-40.6	179.4	-55.9	0	0	0	0	111.7	R218 Q225 L226	R218-S222 VanDerWaalsContact O-CB 3.29Å; R218-S222 WeakPolarHBondContact O-CB 3.5Å; R218-S222 PolarHBondContact O-N 3.18Å; R218-S222 PolarHBondContact O-OG 3.09Å; S222-Q225 PolarHBondContact O-N 2.84Å; S222-L226 VanDerWaalsContact O-CB 3.26Å; S222-L226 WeakPolarHBondContact O-CB 3.47Å; S222-L226 PolarHBondContact O-N 3.35Å
223	T	98.3	Very high	97.8	Very high	6 Å²	6	46.5 Å²	46.5	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-44.4	177.1	-62	0	0	0	0	110.9	Y194 A210 I214 D219 V220 E221 L226 T227 V229 V232	Y194-T223 HydrophobicContact CD1-CG2 3.92Å; Y194-T223 HydrophobicContact CE1-CG2 3.66Å; A210-T223 HydrophobicContact CB-CG2 3.42Å; A210-T223 VanDerWaalsContact CB-CG2 3.42Å; I214-T223 WeakPolarHBondContact CD1-OG1 3.28Å; D219-T223 WeakPolarHBondContact O-CB 3.42Å; D219-T223 PolarHBondContact O-N 3.08Å; D219-T223 PolarHBondContact O-OG1 3.34Å; V220-T223 PolarHBondContact O-N 2.94Å; E221-T223 VanDerWaalsContact C-N 3.35Å; E221-T223 PolarHBondContact O-N 3.22Å; T223-L226 PolarHBondContact O-N 3.06Å; T223-T227 WeakPolarHBondContact O-CB 3.47Å; T223-T227 PolarHBondContact O-N 3.29Å; T223-T227 PolarHBondContact O-OG1 3.03Å; T223-V229 HydrophobicContact CG2-CG2 4.17Å; T223-V232 HydrophobicContact CG2-CG2 4Å
224	H	97.6	Very high	97.9	Very high	70 Å²	70	44 Å²	44	32%	0.324	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-49.5	175.7	176.3	65.9	0	0	0	111.6	V22 V220 E221 L226 T227 G228 V229	V22-H224 HydrophobicContact CB-CB 4.16Å; V22-H224 HydrophobicContact CG1-CB 4.4Å; V22-H224 HydrophobicContact CG2-CB 4Å; V220-H224 WeakPolarHBondContact O-CB 3.44Å; V220-H224 PolarHBondContact O-N 2.94Å; E221-H224 PolarHBondContact O-N 3.48Å; H224-L226 VanDerWaalsContact C-N 3.31Å; H224-L226 PolarHBondContact O-N 3.12Å; H224-T227 PolarHBondContact O-N 3.48Å; H224-G228 WeakPolarHBondContact O-CA 3.36Å; H224-G228 PolarHBondContact O-N 3.27Å; H224-V229 PolarHBondContact CE1-O 3.09Å; H224-V229 PolarHBondContact ND1-O 3.27Å
225	Q	97.4	Very high	97.9	Very high	154 Å²	154	45 Å²	45	72%	0.72	23%	0.231	S	C	*	.	H	α-helix	trans	-59.3	-40.7	178.2	-71.9	170.6	9.2	0	0	112.5	E221 S222	E221-Q225 WeakPolarHBondContact O-CB 3.48Å; E221-Q225 VanDerWaalsContact O-CG 3.27Å; E221-Q225 WeakPolarHBondContact O-CG 3.16Å; E221-Q225 PolarHBondContact O-N 2.8Å; S222-Q225 PolarHBondContact O-N 2.84Å
226	L	97.6	Very high	97.9	Very high	107 Å²	107	46.9 Å²	46.9	56%	0.56	24%	0.235	S	C	*	.	H	α-helix	trans	-72.4	-35.3	-178.2	-179.4	62.5	0	0	0	112.9	Y194 S222 T223 H224	Y194-L226 HydrophobicContact CD2-CD2 4.4Å; Y194-L226 HydrophobicContact CG-CD2 4.05Å; S222-L226 VanDerWaalsContact O-CB 3.26Å; S222-L226 WeakPolarHBondContact O-CB 3.47Å; S222-L226 PolarHBondContact O-N 3.35Å; T223-L226 PolarHBondContact O-N 3.06Å; H224-L226 VanDerWaalsContact C-N 3.31Å; H224-L226 PolarHBondContact O-N 3.12Å
227	T	98.3	Very high	97.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-117.8	-18.1	-165.5	64.2	0	0	0	0	114.9	Y194 I197 K198 T223 H224 V229	Y194-T227 HydrophobicContact CD1-CG2 4.19Å; Y194-T227 WeakPolarHBondContact O-CG2 3.45Å; I197-T227 HydrophobicContact CG2-CG2 4.49Å; K198-T227 HydrophobicContact CB-CG2 4.3Å; T223-T227 WeakPolarHBondContact O-CB 3.47Å; T223-T227 PolarHBondContact O-N 3.29Å; T223-T227 PolarHBondContact O-OG1 3.03Å; H224-T227 PolarHBondContact O-N 3.48Å; T227-V229 PolarHBondContact O-N 3.23Å; T227-V229 VanDerWaalsContact OG1-CG1 3.3Å; T227-V229 WeakPolarHBondContact OG1-CG1 3.32Å; T227-V229 WeakPolarHBondContact OG1-CG2 3.4Å
228	G	97.7	Very high	97.9	Very high	36 Å²	36	42.4 Å²	42.4	37%	0.371	22%	0.216	S	C	.	.			trans	71.6	13.1	-174.3	0	0	0	0	0	114.4	K201 H224	K201-G228 WeakPolarHBondContact CE-O 3.25Å; H224-G228 WeakPolarHBondContact O-CA 3.36Å; H224-G228 PolarHBondContact O-N 3.27Å
229	V	98.5	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.			trans	-65.8	147.4	179.8	-70	0	0	0	0	112.7	I197 K201 V208 A210 T223 H224 T227 G231 V232	I197-V229 HydrophobicContact CG2-CG1 3.59Å; K201-V229 HydrophobicContact CB-CG1 4.37Å; V208-V229 HydrophobicContact CB-CG1 4.41Å; V208-V229 HydrophobicContact CG1-CG1 4.08Å; V208-V229 WeakPolarHBondContact O-CB 3.34Å; A210-V229 HydrophobicContact CB-CB 4.37Å; A210-V229 HydrophobicContact CB-CG1 4.14Å; A210-V229 HydrophobicContact CB-CG2 3.84Å; T223-V229 HydrophobicContact CG2-CG2 4.17Å; H224-V229 PolarHBondContact CE1-O 3.09Å; H224-V229 PolarHBondContact ND1-O 3.27Å; T227-V229 PolarHBondContact O-N 3.23Å; T227-V229 VanDerWaalsContact OG1-CG1 3.3Å; T227-V229 WeakPolarHBondContact OG1-CG1 3.32Å; T227-V229 WeakPolarHBondContact OG1-CG2 3.4Å; V229-G231 VanDerWaalsContact C-N 3.34Å; V229-G231 WeakPolarHBondContact CG2-O 3.38Å; V229-V232 HydrophobicContact CG2-CG2 4.17Å
230	D	98.3	Very high	97.9	Very high	38 Å²	38	36.7 Å²	36.7	20%	0.203	20%	0.195	C	C	.	.	S	Bend	trans	-85.2	-13.6	-174.4	-39.3	-92.9	0	0	0	112.2	F17 L23 K201 P207 V208	F17-D230 HydrophobicContact CD1-CB 3.65Å; F17-D230 HydrophobicContact CE1-CB 4.2Å; L23-D230 PolarHBondContact N-O 3.05Å; K201-D230 WeakPolarHBondContact CE-OD2 3.48Å; K201-D230 IonicContact NZ-OD1 3.1Å; K201-D230 PolarHBondContact NZ-OD1 2.82Å; K201-D230 IonicContact NZ-OD2 2.78Å; K201-D230 PolarHBondContact NZ-OD2 3.14Å; P207-D230 WeakPolarHBondContact CA-OD2 3.4Å; P207-D230 HydrophobicContact CB-CB 3.97Å; V208-D230 PolarHBondContact N-OD2 2.97Å; V208-D230 PolarHBondContact O-N 3.26Å
231	G	98.6	Very high	97.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163.4	174.3	0	0	0	0	0	113.2	L23 V208 I209 A210 V229	L23-G231 CarbonylContact O-C 3.54Å; L23-G231 VanDerWaalsContact O-CA 3.28Å; L23-G231 WeakPolarHBondContact O-CA 3.37Å; V208-G231 PolarHBondContact O-N 2.76Å; I209-G231 CarbonylContact C-O 3.58Å; I209-G231 VanDerWaalsContact CA-O 3.27Å; I209-G231 WeakPolarHBondContact CA-O 3.47Å; A210-G231 PolarHBondContact N-O 3.48Å; V229-G231 VanDerWaalsContact C-N 3.34Å; V229-G231 WeakPolarHBondContact CG2-O 3.38Å
232	V	98.8	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.4	176.7	178.1	0	0	0	0	109.3	V22 L23 I25 A210 I214 V220 T223 V229	V22-V232 HydrophobicContact CG2-CG2 3.88Å; L23-V232 PolarHBondContact O-N 3.32Å; I25-V232 PolarHBondContact N-O 2.98Å; A210-V232 WeakPolarHBondContact O-CA 3.47Å; I214-V232 HydrophobicContact CB-CG1 4.24Å; I214-V232 HydrophobicContact CD1-CG1 3.52Å; I214-V232 HydrophobicContact CG1-CG1 3.46Å; I214-V232 VanDerWaalsContact CG1-CG1 3.46Å; I214-V232 HydrophobicContact CG2-CG1 3.81Å; V220-V232 HydrophobicContact CB-CB 4.32Å; V220-V232 HydrophobicContact CB-CG1 4.43Å; V220-V232 HydrophobicContact CB-CG2 4.48Å; V220-V232 HydrophobicContact CG1-CB 3.93Å; V220-V232 HydrophobicContact CG1-CG2 3.98Å; V220-V232 HydrophobicContact CG2-CB 4.16Å; V220-V232 HydrophobicContact CG2-CG1 3.98Å; T223-V232 HydrophobicContact CG2-CG2 4Å; V229-V232 HydrophobicContact CG2-CG2 4.17Å
233	M	98.9	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.4	-178.4	178.3	-174.2	-73.3	0	0	111	I25 A27 F50 K153 T179 I209 A210 N211	I25-M233 HydrophobicContact CB-CB 4.12Å; I25-M233 HydrophobicContact CB-CG 4.42Å; I25-M233 HydrophobicContact CG2-CB 4.31Å; I25-M233 HydrophobicContact CG2-CE 3.7Å; I25-M233 HydrophobicContact CG2-CG 4.19Å; I25-M233 CarbonylContact O-C 3.55Å; I25-M233 VanDerWaalsContact O-CA 3.28Å; I25-M233 WeakPolarHBondContact O-CA 3.18Å; A27-M233 VanDerWaalsContact CA-SD 3.59Å; A27-M233 HydrophobicContact CB-CG 3.55Å; A27-M233 HydrophobicContact CB-SD 3.61Å; F50-M233 HydrophobicContact CD2-CE 4.03Å; F50-M233 HydrophobicContact CE1-CE 4.2Å; F50-M233 HydrophobicContact CE2-CE 3.75Å; F50-M233 HydrophobicContact CG-CE 4.43Å; F50-M233 HydrophobicContact CZ-CE 3.84Å; K153-M233 HydrophobicContact CD-SD 4.06Å; K153-M233 WeakPolarHBondContact CE-SD 3.39Å; T179-M233 HydrophobicContact CG2-CB 4.48Å; T179-M233 HydrophobicContact CG2-CE 3.72Å; T179-M233 HydrophobicContact CG2-SD 3.72Å; I209-M233 HydrophobicContact CG2-CB 3.62Å; A210-M233 PolarHBondContact O-N 3.41Å; N211-M233 HydrophobicContact CB-CB 4.18Å; N211-M233 PolarHBondContact ND2-O 3.29Å
234	A	98.7	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	145.6	176.6	0	0	0	0	0	111.6	I25 A27 I214 L238 M244 F245	I25-A234 PolarHBondContact O-N 3Å; A27-A234 WeakPolarHBondContact CB-O 3.37Å; A27-A234 PolarHBondContact N-O 3.37Å; I214-A234 HydrophobicContact CB-CB 4.06Å; I214-A234 HydrophobicContact CG2-CB 4.1Å; A234-L238 HydrophobicContact CB-CD1 4.01Å; A234-L238 HydrophobicContact CB-CG 3.96Å; A234-M244 HydrophobicContact CB-CE 4.15Å; A234-M244 HydrophobicContact CB-SD 4.18Å; A234-F245 HydrophobicContact CB-CE1 4.16Å; A234-F245 HydrophobicContact CB-CE2 4.47Å; A234-F245 HydrophobicContact CB-CZ 3.65Å
235	A	97.6	Very high	98.1	Very high	27 Å²	27	25.4 Å²	25.4	22%	0.223	14%	0.135	C	C	.	.	S	Bend	trans	-123	-89.1	176.4	0	0	0	0	0	110	A27 M29 G237 L238 L239	A27-A235 HydrophobicContact CB-CB 3.65Å; M29-A235 HydrophobicContact CG-CB 4.15Å; M29-A235 HydrophobicContact SD-CB 3.81Å; A235-G237 PolarHBondContact O-N 2.91Å; A235-G237 VanDerWaalsContact O-N 3.15Å; A235-L238 PolarHBondContact O-N 2.76Å; A235-L239 PolarHBondContact O-N 3.21Å
236	R	96.6	Very high	98.1	Very high	138 Å²	138	19.7 Å²	19.7	52%	0.521	11%	0.114	S	C	.	.	H	α-helix	trans	-56.6	-31.9	179.5	-66.6	174.5	-65.1	-179.2	3.3	113.7	D213 L239 A240	D213-R236 IonicContact OD1-NH2 3.11Å; D213-R236 PolarHBondContact OD1-NH2 3.31Å; R236-L239 PolarHBondContact O-N 2.89Å; R236-A240 PolarHBondContact O-N 3.35Å
237	G	97.6	Very high	98.2	Very high	4 Å²	4	16.5 Å²	16.5	4%	0.041	11%	0.107	C	C	.	.	H	α-helix	trans	-56.7	-48.8	172.9	0	0	0	0	0	111.9	A235 L239 A240 N241	A235-G237 PolarHBondContact O-N 2.91Å; A235-G237 VanDerWaalsContact O-N 3.15Å; G237-L239 PolarHBondContact O-N 3.22Å; G237-A240 PolarHBondContact O-N 2.8Å; G237-N241 PolarHBondContact O-N 3.3Å
238	L	98.4	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.4	-33.4	178.2	-74.4	168.3	0	0	0	112.9	C26 F37 V41 A234 A235 A240 N241 P242 M244 F245	C26-L238 HydrophobicContact CB-CD1 3.73Å; F37-L238 HydrophobicContact CE1-CB 4.33Å; F37-L238 HydrophobicContact CZ-CB 4.03Å; F37-L238 WeakPolarHBondContact CZ-O 3.33Å; V41-L238 HydrophobicContact CB-CD2 4.43Å; V41-L238 HydrophobicContact CG1-CD2 3.99Å; A234-L238 HydrophobicContact CB-CD1 4.01Å; A234-L238 HydrophobicContact CB-CG 3.96Å; A235-L238 PolarHBondContact O-N 2.76Å; L238-A240 VanDerWaalsContact C-N 3.33Å; L238-N241 CarbonylContact O-C 3.47Å; L238-N241 VanDerWaalsContact O-C 3.24Å; L238-P242 WeakPolarHBondContact O-CA 3.49Å; L238-P242 WeakPolarHBondContact O-CD 3.12Å; L238-P242 WeakPolarHBondContact O-CG 3.47Å; L238-M244 HydrophobicContact CD2-CG 3.72Å; L238-M244 HydrophobicContact CD2-SD 4.02Å; L238-M244 HydrophobicContact CG-CG 4.35Å; L238-M244 HydrophobicContact CG-SD 3.97Å; L238-M244 PolarHBondContact N-SD 3.36Å; L238-F245 HydrophobicContact CD1-CE2 3.89Å; L238-F245 HydrophobicContact CD1-CZ 4.42Å; L238-F245 HydrophobicContact CD2-CD2 3.91Å; L238-F245 HydrophobicContact CD2-CE2 3.98Å; L238-F245 HydrophobicContact CG-CE2 4.28Å
239	L	97.9	Very high	98	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.052	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-41.7	173.9	-64.1	179.2	0	0	0	111.3	M29 Y32 F37 A235 R236 G237 Y279	M29-L239 HydrophobicContact CE-CD2 4.04Å; M29-L239 HydrophobicContact CE-CG 4.3Å; M29-L239 HydrophobicContact SD-CD1 3.86Å; M29-L239 HydrophobicContact SD-CD2 4.02Å; M29-L239 HydrophobicContact SD-CG 3.78Å; Y32-L239 HydrophobicContact CD1-CD2 4.31Å; Y32-L239 HydrophobicContact CD2-CD1 4.28Å; Y32-L239 HydrophobicContact CG-CD1 4.31Å; Y32-L239 HydrophobicContact CG-CD2 4.05Å; F37-L239 HydrophobicContact CE1-CD2 4.24Å; F37-L239 HydrophobicContact CE2-CD2 4.4Å; F37-L239 HydrophobicContact CZ-CD2 3.98Å; A235-L239 PolarHBondContact O-N 3.21Å; R236-L239 PolarHBondContact O-N 2.89Å; G237-L239 PolarHBondContact O-N 3.22Å; L239-Y279 HydrophobicContact CB-CD2 4.2Å; L239-Y279 HydrophobicContact CB-CG 4.16Å; L239-Y279 HydrophobicContact CD1-CD2 4.48Å; L239-Y279 HydrophobicContact CD1-CE2 4.33Å; L239-Y279 WeakPolarHBondContact O-CB 3.07Å
240	A	97.8	Very high	97.8	Very high	14 Å²	14	27.8 Å²	27.8	12%	0.116	15%	0.148	C	C	.	.	H	α-helix	trans	-74.3	-33.3	178.8	0	0	0	0	0	112.7	R236 G237 L238 T251 M280	R236-A240 PolarHBondContact O-N 3.35Å; G237-A240 PolarHBondContact O-N 2.8Å; L238-A240 VanDerWaalsContact C-N 3.33Å; A240-T251 PolarHBondContact O-OG1 3.09Å; A240-M280 WeakPolarHBondContact O-CA 3.37Å
241	N	98.4	Very high	97.8	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	14%	0.143	C	C	.	.			trans	-150	96.2	177.6	-178.5	1.2	0	0	0	110.8	G237 L238 A243 M244 Y248 E249 D250 T251	G237-N241 PolarHBondContact O-N 3.3Å; L238-N241 CarbonylContact O-C 3.47Å; L238-N241 VanDerWaalsContact O-C 3.24Å; N241-A243 PolarHBondContact O-N 2.98Å; N241-A243 WeakPolarHBondContact OD1-CA 3.14Å; N241-A243 WeakPolarHBondContact OD1-CB 3.3Å; N241-A243 PolarHBondContact OD1-N 2.71Å; N241-M244 HydrophobicContact CB-CB 4.28Å; N241-M244 WeakPolarHBondContact O-CB 3.49Å; N241-M244 VanDerWaalsContact O-CG 3.24Å; N241-M244 WeakPolarHBondContact O-CG 3.5Å; N241-M244 PolarHBondContact O-N 3.21Å; N241-M244 VanDerWaalsContact O-N 3.14Å; N241-M244 PolarHBondContact OD1-N 2.75Å; N241-Y248 PolarHBondContact ND2-O 2.72Å; N241-E249 PolarHBondContact ND2-O 2.67Å; N241-D250 WeakPolarHBondContact ND2-CA 3.45Å; N241-D250 PolarHBondContact ND2-N 3.13Å; N241-D250 PolarHBondContact ND2-O 3.21Å; N241-T251 WeakPolarHBondContact CA-OG1 3.34Å
242	P	98.5	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.3	177.9	-18.6	29.1	0	0	0	113	F37 L40 V41 L238 M244 M280	F37-P242 HydrophobicContact CE2-CB 4.3Å; F37-P242 HydrophobicContact CE2-CG 4.05Å; L40-P242 HydrophobicContact CD2-CB 3.63Å; L40-P242 HydrophobicContact CD2-CG 3.68Å; L40-P242 HydrophobicContact CG-CB 4.06Å; V41-P242 HydrophobicContact CG1-CB 4.01Å; L238-P242 WeakPolarHBondContact O-CA 3.49Å; L238-P242 WeakPolarHBondContact O-CD 3.12Å; L238-P242 WeakPolarHBondContact O-CG 3.47Å; P242-M244 VanDerWaalsContact C-N 3.35Å; P242-M280 HydrophobicContact CG-CE 3.57Å; P242-M280 HydrophobicContact CG-CG 3.95Å; P242-M280 HydrophobicContact CG-SD 3.94Å
243	A	98.4	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.3	179.3	0	0	0	0	0	113.9	Y44 N241 F245 A246 Y248 P252 C255	Y44-A243 HydrophobicContact CD1-CB 3.44Å; Y44-A243 VanDerWaalsContact CD1-CB 3.44Å; Y44-A243 HydrophobicContact CE1-CB 3.88Å; Y44-A243 HydrophobicContact CG-CB 3.86Å; N241-A243 PolarHBondContact O-N 2.98Å; N241-A243 WeakPolarHBondContact OD1-CA 3.14Å; N241-A243 WeakPolarHBondContact OD1-CB 3.3Å; N241-A243 PolarHBondContact OD1-N 2.71Å; A243-F245 PolarHBondContact O-N 3.22Å; A243-F245 VanDerWaalsContact O-N 3.12Å; A243-A246 WeakPolarHBondContact O-CA 3.42Å; A243-A246 WeakPolarHBondContact O-CB 3.23Å; A243-A246 PolarHBondContact O-N 2.99Å; A243-Y248 HydrophobicContact CB-CD2 3.65Å; A243-Y248 HydrophobicContact CB-CE2 4.37Å; A243-Y248 HydrophobicContact CB-CG 4Å; A243-P252 HydrophobicContact CB-CG 3.92Å; A243-C255 HydrophobicContact CB-CB 4.37Å
244	M	98.2	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33.4	-174.1	65.7	174.9	-77.7	0	0	113.8	I214 K215 A234 L238 N241 P242 A246 G247	I214-M244 HydrophobicContact CG2-CE 3.92Å; K215-M244 WeakPolarHBondContact O-CE 3.45Å; A234-M244 HydrophobicContact CB-CE 4.15Å; A234-M244 HydrophobicContact CB-SD 4.18Å; L238-M244 HydrophobicContact CD2-CG 3.72Å; L238-M244 HydrophobicContact CD2-SD 4.02Å; L238-M244 HydrophobicContact CG-CG 4.35Å; L238-M244 HydrophobicContact CG-SD 3.97Å; L238-M244 PolarHBondContact N-SD 3.36Å; N241-M244 HydrophobicContact CB-CB 4.28Å; N241-M244 WeakPolarHBondContact O-CB 3.49Å; N241-M244 VanDerWaalsContact O-CG 3.24Å; N241-M244 WeakPolarHBondContact O-CG 3.5Å; N241-M244 PolarHBondContact O-N 3.21Å; N241-M244 VanDerWaalsContact O-N 3.14Å; N241-M244 PolarHBondContact OD1-N 2.75Å; P242-M244 VanDerWaalsContact C-N 3.35Å; M244-A246 VanDerWaalsContact C-N 3.26Å; M244-A246 PolarHBondContact O-N 2.72Å; M244-G247 PolarHBondContact O-N 2.94Å
245	F	98.5	Very high	97.3	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-77.3	-11.7	179.3	-72.8	-29	0	0	0	114.1	K24 Y44 C46 V220 A234 L238 A243	K24-F245 HydrophobicContact CB-CB 4.44Å; K24-F245 HydrophobicContact CB-CD1 3.91Å; K24-F245 HydrophobicContact CB-CD2 3.76Å; K24-F245 HydrophobicContact CB-CE1 3.98Å; K24-F245 HydrophobicContact CB-CE2 3.82Å; K24-F245 HydrophobicContact CB-CG 3.8Å; K24-F245 HydrophobicContact CB-CZ 3.93Å; K24-F245 HydrophobicContact CD-CB 3.97Å; K24-F245 HydrophobicContact CD-CD1 3.95Å; K24-F245 HydrophobicContact CD-CG 4.02Å; K24-F245 HydrophobicContact CG-CD1 4.05Å; K24-F245 HydrophobicContact CG-CE1 4.27Å; K24-F245 HydrophobicContact CG-CG 4.27Å; K24-F245 PolarHBondContact NZ-O 3.29Å; Y44-F245 CarbonylContact O-C 3.24Å; Y44-F245 WeakPolarHBondContact O-CB 3.47Å; C46-F245 HydrophobicContact CB-CD2 4.05Å; V220-F245 HydrophobicContact CG2-CD1 4.15Å; V220-F245 HydrophobicContact CG2-CE1 3.69Å; A234-F245 HydrophobicContact CB-CE1 4.16Å; A234-F245 HydrophobicContact CB-CE2 4.47Å; A234-F245 HydrophobicContact CB-CZ 3.65Å; L238-F245 HydrophobicContact CD1-CE2 3.89Å; L238-F245 HydrophobicContact CD1-CZ 4.42Å; L238-F245 HydrophobicContact CD2-CD2 3.91Å; L238-F245 HydrophobicContact CD2-CE2 3.98Å; L238-F245 HydrophobicContact CG-CE2 4.28Å; A243-F245 PolarHBondContact O-N 3.22Å; A243-F245 VanDerWaalsContact O-N 3.12Å
246	A	98.1	Very high	97.3	Very high	34 Å²	34	32.3 Å²	32.3	28%	0.281	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-91.9	3.8	169.5	0	0	0	0	0	112.9	Y44 A243 M244 Y248	Y44-A246 HydrophobicContact CD1-CB 4.24Å; Y44-A246 PolarHBondContact O-N 3.42Å; A243-A246 WeakPolarHBondContact O-CA 3.42Å; A243-A246 WeakPolarHBondContact O-CB 3.23Å; A243-A246 PolarHBondContact O-N 2.99Å; M244-A246 VanDerWaalsContact C-N 3.26Å; M244-A246 PolarHBondContact O-N 2.72Å; A246-Y248 HydrophobicContact CB-CD2 3.91Å; A246-Y248 HydrophobicContact CB-CE2 3.92Å
247	G	97.6	Very high	97.3	Very high	40 Å²	40	26.6 Å²	26.6	41%	0.412	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	6.8	173.3	0	0	0	0	0	115.1	M244	M244-G247 PolarHBondContact O-N 2.94Å
248	Y	97.5	Very high	97.4	Very high	111 Å²	111	27 Å²	27	44%	0.435	15%	0.148	S	C	.	.			trans	-76.6	136.9	175.6	-65.6	-93.8	0	0	0	111.1	Y44 N241 A243 A246 D250 P252	Y44-Y248 HydrophobicContact CD1-CE2 4.46Å; N241-Y248 PolarHBondContact ND2-O 2.72Å; A243-Y248 HydrophobicContact CB-CD2 3.65Å; A243-Y248 HydrophobicContact CB-CE2 4.37Å; A243-Y248 HydrophobicContact CB-CG 4Å; A246-Y248 HydrophobicContact CB-CD2 3.91Å; A246-Y248 HydrophobicContact CB-CE2 3.92Å; Y248-D250 WeakPolarHBondContact CB-O 3.16Å; Y248-P252 HydrophobicContact CD1-CB 3.87Å; Y248-P252 HydrophobicContact CD1-CG 3.74Å; Y248-P252 HydrophobicContact CD2-CG 4.41Å; Y248-P252 HydrophobicContact CE1-CB 3.82Å; Y248-P252 HydrophobicContact CE1-CG 3.82Å; Y248-P252 HydrophobicContact CE2-CG 4.48Å; Y248-P252 HydrophobicContact CG-CG 4.05Å
249	E	94.8	Very high	97.4	Very high	92 Å²	92	27 Å²	27	43%	0.43	15%	0.148	S	C	.	.	S	Bend	trans	-75.8	-37.4	175.2	-68	-63.3	137.5	0	0	112.1	Y216 R218 N241	Y216-E249 WeakPolarHBondContact CD1-OE2 3.33Å; Y216-E249 WeakPolarHBondContact CE1-OE2 3.43Å; R218-E249 IonicContact CZ-OE1 3.83Å; R218-E249 IonicContact CZ-OE2 2.88Å; R218-E249 IonicContact NH1-OE1 3.32Å; R218-E249 PolarHBondContact NH1-OE1 3.24Å; R218-E249 IonicContact NH1-OE2 2.86Å; R218-E249 PolarHBondContact NH1-OE2 2.69Å; R218-E249 IonicContact NH2-OE2 3.45Å; R218-E249 PolarHBondContact NH2-OE2 3.01Å; N241-E249 PolarHBondContact ND2-O 2.67Å
250	D	95.4	Very high	97.4	Very high	70 Å²	70	26.8 Å²	26.8	37%	0.374	15%	0.147	S	C	.	.	S	Bend	trans	-127.8	167.9	176.7	-65.2	-64.5	0	0	0	110.8	N241 Y248 P252 R283 V284	N241-D250 WeakPolarHBondContact ND2-CA 3.45Å; N241-D250 PolarHBondContact ND2-N 3.13Å; N241-D250 PolarHBondContact ND2-O 3.21Å; Y248-D250 WeakPolarHBondContact CB-O 3.16Å; D250-P252 VanDerWaalsContact O-CD 3.24Å; D250-P252 WeakPolarHBondContact O-CD 3.38Å; D250-R283 WeakPolarHBondContact OD1-CD 3.43Å; D250-V284 HydrophobicContact CB-CG1 4.14Å
251	T	96.8	Very high	97.4	Very high	13 Å²	13	30.8 Å²	30.8	8%	0.08	17%	0.166	C	C	.	.			trans	-67.6	115.4	179.9	-50.9	0	0	0	0	110.2	A240 N241 C255 I256 M280	A240-T251 PolarHBondContact O-OG1 3.09Å; N241-T251 WeakPolarHBondContact CA-OG1 3.34Å; T251-C255 HydrophobicContact CG2-CB 3.8Å; T251-I256 HydrophobicContact CG2-CD1 3.56Å; T251-I256 HydrophobicContact CG2-CG1 3.97Å; T251-M280 HydrophobicContact CG2-CB 4.11Å; T251-M280 HydrophobicContact CG2-CG 4.32Å; T251-M280 PolarHBondContact OG1-O 3.49Å
252	P	95.6	Very high	97.4	Very high	27 Å²	27	31.4 Å²	31.4	18%	0.175	17%	0.169	C	C	.	.			trans	-69.4	151.3	177.2	29.6	-33.8	0	0	0	110.3	A243 Y248 D250 Q254 C255 I256	A243-P252 HydrophobicContact CB-CG 3.92Å; Y248-P252 HydrophobicContact CD1-CB 3.87Å; Y248-P252 HydrophobicContact CD1-CG 3.74Å; Y248-P252 HydrophobicContact CD2-CG 4.41Å; Y248-P252 HydrophobicContact CE1-CB 3.82Å; Y248-P252 HydrophobicContact CE1-CG 3.82Å; Y248-P252 HydrophobicContact CE2-CG 4.48Å; Y248-P252 HydrophobicContact CG-CG 4.05Å; D250-P252 VanDerWaalsContact O-CD 3.24Å; D250-P252 WeakPolarHBondContact O-CD 3.38Å; P252-Q254 PolarHBondContact O-N 3.29Å; P252-C255 HydrophobicContact CG-CB 3.67Å; P252-C255 WeakPolarHBondContact O-CA 3.41Å; P252-C255 WeakPolarHBondContact O-CB 3.45Å; P252-C255 PolarHBondContact O-N 3.25Å; P252-I256 PolarHBondContact O-N 3.37Å
253	L	94.4	Very high	97.4	Very high	44 Å²	44	31.5 Å²	31.5	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-57.6	-34.6	-179.3	-175.5	55.1	0	0	0	112.3	C255 I256 W257 Y310 I316	L253-C255 VanDerWaalsContact C-N 3.28Å; L253-C255 PolarHBondContact O-N 2.99Å; L253-I256 HydrophobicContact CD1-CB 4.31Å; L253-I256 WeakPolarHBondContact O-CB 3.03Å; L253-I256 PolarHBondContact O-N 3.17Å; L253-I256 VanDerWaalsContact O-N 3.14Å; L253-W257 PolarHBondContact O-N 3.24Å; L253-W257 VanDerWaalsContact O-N 3.09Å; L253-Y310 WeakPolarHBondContact CD2-O 3.33Å; L253-I316 HydrophobicContact CB-CD1 3.99Å; L253-I316 HydrophobicContact CD2-CD1 3.58Å; L253-I316 HydrophobicContact CD2-CG1 4.3Å; L253-I316 HydrophobicContact CG-CD1 3.97Å
254	Q	96.8	Very high	97.3	Very high	74 Å²	74	35.5 Å²	35.5	35%	0.346	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-40.1	172	-176	58.9	47.1	0	0	112.9	P252 I256 W257 D258 V313	P252-Q254 PolarHBondContact O-N 3.29Å; Q254-I256 VanDerWaalsContact C-N 3.31Å; Q254-I256 PolarHBondContact O-N 3.2Å; Q254-W257 PolarHBondContact O-N 2.91Å; Q254-D258 PolarHBondContact NE2-OD1 3.06Å; Q254-D258 VanDerWaalsContact NE2-OD1 3.09Å; Q254-D258 WeakPolarHBondContact O-CB 3.02Å; Q254-D258 VanDerWaalsContact O-CG 3.26Å; Q254-D258 PolarHBondContact O-N 3.33Å; Q254-V313 VanDerWaalsContact OE1-CG2 3.25Å
255	C	97.8	Very high	97.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.5	-31.5	179.1	-177.4	0	0	0	0	111.9	Y44 A243 T251 P252 L253 W259	Y44-C255 HydrophobicContact CE1-CB 4.1Å; Y44-C255 HydrophobicContact CE2-CB 3.93Å; Y44-C255 WeakPolarHBondContact OH-CA 3.37Å; Y44-C255 WeakPolarHBondContact OH-CB 3.47Å; Y44-C255 PolarHBondContact OH-N 3.32Å; A243-C255 HydrophobicContact CB-CB 4.37Å; T251-C255 HydrophobicContact CG2-CB 3.8Å; P252-C255 HydrophobicContact CG-CB 3.67Å; P252-C255 WeakPolarHBondContact O-CA 3.41Å; P252-C255 WeakPolarHBondContact O-CB 3.45Å; P252-C255 PolarHBondContact O-N 3.25Å; L253-C255 VanDerWaalsContact C-N 3.28Å; L253-C255 PolarHBondContact O-N 2.99Å; C255-W259 PolarHBondContact O-N 3.47Å
256	I	97.7	Very high	97	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-48.3	173	-60.7	-63.1	0	0	0	110.2	T251 P252 L253 Q254 W259 V260 L277 M280 L281 L306	T251-I256 HydrophobicContact CG2-CD1 3.56Å; T251-I256 HydrophobicContact CG2-CG1 3.97Å; P252-I256 PolarHBondContact O-N 3.37Å; L253-I256 HydrophobicContact CD1-CB 4.31Å; L253-I256 WeakPolarHBondContact O-CB 3.03Å; L253-I256 PolarHBondContact O-N 3.17Å; L253-I256 VanDerWaalsContact O-N 3.14Å; Q254-I256 VanDerWaalsContact C-N 3.31Å; Q254-I256 PolarHBondContact O-N 3.2Å; I256-W259 WeakPolarHBondContact O-CB 3.29Å; I256-W259 PolarHBondContact O-N 3.28Å; I256-V260 WeakPolarHBondContact O-CG2 3.25Å; I256-V260 PolarHBondContact O-N 3.4Å; I256-V260 VanDerWaalsContact O-N 3.09Å; I256-L277 HydrophobicContact CD1-CD2 4.23Å; I256-L277 HydrophobicContact CG2-CD2 3.73Å; I256-M280 HydrophobicContact CD1-CB 3.53Å; I256-M280 HydrophobicContact CD1-CG 4.3Å; I256-M280 HydrophobicContact CD1-SD 3.96Å; I256-L281 HydrophobicContact CD1-CD2 4.03Å; I256-L281 HydrophobicContact CD1-CG 4.39Å; I256-L281 HydrophobicContact CG1-CD2 4.42Å; I256-L306 HydrophobicContact CG2-CD1 4.01Å; I256-L306 HydrophobicContact CG2-CD2 4.15Å
257	W	97.8	Very high	96.8	Very high	17 Å²	17	46.4 Å²	46.4	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-38.9	179.2	-75.5	116.9	0	0	0	112.7	L253 Q254 W259 V260 D261 I303 L306 Q307 G311 V313	L253-W257 PolarHBondContact O-N 3.24Å; L253-W257 VanDerWaalsContact O-N 3.09Å; Q254-W257 PolarHBondContact O-N 2.91Å; W257-W259 PolarHBondContact O-N 3.07Å; W257-V260 HydrophobicContact CE3-CB 4.03Å; W257-V260 HydrophobicContact CE3-CG1 4.21Å; W257-V260 HydrophobicContact CE3-CG2 4.09Å; W257-V260 HydrophobicContact CZ3-CB 4.32Å; W257-V260 HydrophobicContact CZ3-CG1 4.1Å; W257-V260 HydrophobicContact CZ3-CG2 4.19Å; W257-V260 WeakPolarHBondContact O-CA 3.29Å; W257-V260 WeakPolarHBondContact O-CB 3.42Å; W257-V260 PolarHBondContact O-N 3.34Å; W257-D261 PolarHBondContact O-N 3.12Å; W257-I303 HydrophobicContact CH2-CG2 4.36Å; W257-I303 HydrophobicContact CZ3-CG2 4.25Å; W257-L306 HydrophobicContact CH2-CB 3.7Å; W257-L306 HydrophobicContact CH2-CD1 4.48Å; W257-L306 HydrophobicContact CZ2-CB 3.79Å; W257-Q307 HydrophobicContact CH2-CG 3.56Å; W257-Q307 HydrophobicContact CZ2-CG 3.96Å; W257-G311 WeakPolarHBondContact CZ2-O 3.46Å; W257-G311 PolarHBondContact NE1-O 3.23Å; W257-V313 HydrophobicContact CB-CG2 3.58Å; W257-V313 VanDerWaalsContact CD1-CG2 3.5Å; W257-V313 HydrophobicContact CG-CG2 3.69Å
258	D	98.4	Very high	96.7	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-41.5	170.2	-80	-16.9	0	0	0	111.9	L40 K43 Y44 Q254 V260 I262	L40-D258 HydrophobicContact CD1-CB 3.63Å; K43-D258 IonicContact NZ-OD1 2.67Å; K43-D258 PolarHBondContact NZ-OD1 3.38Å; K43-D258 IonicContact NZ-OD2 3.12Å; K43-D258 PolarHBondContact NZ-OD2 3.24Å; K43-D258 VanDerWaalsContact NZ-OD2 3.11Å; Y44-D258 WeakPolarHBondContact CE2-OD2 3.34Å; Y44-D258 PolarHBondContact OH-OD2 3.14Å; Q254-D258 PolarHBondContact NE2-OD1 3.06Å; Q254-D258 VanDerWaalsContact NE2-OD1 3.09Å; Q254-D258 WeakPolarHBondContact O-CB 3.02Å; Q254-D258 VanDerWaalsContact O-CG 3.26Å; Q254-D258 PolarHBondContact O-N 3.33Å; D258-V260 VanDerWaalsContact C-N 3.35Å; D258-I262 VanDerWaalsContact O-CB 3.3Å; D258-I262 WeakPolarHBondContact O-CB 3.09Å; D258-I262 WeakPolarHBondContact O-CD1 3.23Å; D258-I262 WeakPolarHBondContact O-CG1 3.42Å; D258-I262 PolarHBondContact O-N 3.05Å
259	W	98.5	Very high	96.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-41.8	175.6	172.3	-111.3	0	0	0	111.9	A36 F37 L40 C255 I256 W257 S263 F273 H276 M280	A36-W259 HydrophobicContact CB-CH2 4.1Å; A36-W259 HydrophobicContact CB-CZ3 3.76Å; F37-W259 HydrophobicContact CB-CH2 4.36Å; F37-W259 HydrophobicContact CB-CZ3 4Å; F37-W259 HydrophobicContact CD2-CZ3 4.28Å; L40-W259 HydrophobicContact CB-CE3 4.4Å; L40-W259 HydrophobicContact CD1-CB 4.39Å; L40-W259 HydrophobicContact CD2-CB 3.9Å; L40-W259 HydrophobicContact CD2-CD2 4.37Å; L40-W259 HydrophobicContact CD2-CE3 3.89Å; L40-W259 HydrophobicContact CD2-CG 4.42Å; C255-W259 PolarHBondContact O-N 3.47Å; I256-W259 WeakPolarHBondContact O-CB 3.29Å; I256-W259 PolarHBondContact O-N 3.28Å; W257-W259 PolarHBondContact O-N 3.07Å; W259-S263 VanDerWaalsContact CD2-OG 3.26Å; W259-S263 WeakPolarHBondContact CH2-OG 3.43Å; W259-S263 VanDerWaalsContact CZ2-OG 3.25Å; W259-S263 WeakPolarHBondContact CZ2-OG 3.49Å; W259-S263 WeakPolarHBondContact O-CB 3.15Å; W259-S263 PolarHBondContact O-N 2.9Å; W259-S263 PolarHBondContact O-OG 3.07Å; W259-F273 AromaticContact NE1-CD2 3.69Å; W259-F273 PolarHBondContact NE1-O 3.36Å; W259-H276 HydrophobicContact CD2-CB 4.35Å; W259-H276 VanDerWaalsContact CE2-CB 3.46Å; W259-H276 HydrophobicContact CH2-CB 4.16Å; W259-H276 AromaticContact CH2-CD2 3.36Å; W259-H276 WeakPolarHBondContact CH2-CD2 3.37Å; W259-H276 AromaticContact CH2-CG 3.83Å; W259-H276 AromaticContact CH2-NE2 3.92Å; W259-H276 HydrophobicContact CZ2-CB 3.34Å; W259-H276 AromaticContact CZ2-CD2 3.31Å; W259-H276 WeakPolarHBondContact CZ2-CD2 3.48Å; W259-H276 AromaticContact CZ2-CG 3.5Å; W259-M280 HydrophobicContact CB-CE 4.2Å; W259-M280 HydrophobicContact CB-SD 4.26Å; W259-M280 HydrophobicContact CD2-CE 3.97Å; W259-M280 HydrophobicContact CE3-CE 4.46Å; W259-M280 HydrophobicContact CG-CE 3.83Å; W259-M280 HydrophobicContact CG-SD 4.25Å
260	V	98.3	Very high	96.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-53.6	176.8	173.8	0	0	0	0	110.8	I256 W257 D258 I262 S263 V264 F273 I303 L306	I256-V260 WeakPolarHBondContact O-CG2 3.25Å; I256-V260 PolarHBondContact O-N 3.4Å; I256-V260 VanDerWaalsContact O-N 3.09Å; W257-V260 HydrophobicContact CE3-CB 4.03Å; W257-V260 HydrophobicContact CE3-CG1 4.21Å; W257-V260 HydrophobicContact CE3-CG2 4.09Å; W257-V260 HydrophobicContact CZ3-CB 4.32Å; W257-V260 HydrophobicContact CZ3-CG1 4.1Å; W257-V260 HydrophobicContact CZ3-CG2 4.19Å; W257-V260 WeakPolarHBondContact O-CA 3.29Å; W257-V260 WeakPolarHBondContact O-CB 3.42Å; W257-V260 PolarHBondContact O-N 3.34Å; D258-V260 VanDerWaalsContact C-N 3.35Å; V260-I262 PolarHBondContact O-N 3.28Å; V260-S263 PolarHBondContact O-N 3.17Å; V260-V264 HydrophobicContact CG1-CG2 4.47Å; V260-V264 WeakPolarHBondContact O-CG2 3.31Å; V260-V264 PolarHBondContact O-N 3Å; V260-F273 HydrophobicContact CB-CE2 4.44Å; V260-F273 HydrophobicContact CG2-CE2 4.05Å; V260-F273 HydrophobicContact CG2-CZ 4.14Å; V260-I303 HydrophobicContact CG1-CD1 3.89Å; V260-I303 HydrophobicContact CG1-CG1 3.87Å; V260-L306 HydrophobicContact CG2-CD1 3.88Å
261	D	98.1	Very high	96.6	Very high	98 Å²	98	43.6 Å²	43.6	52%	0.524	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-50.2	-176.2	-67.2	-19.6	0	0	0	111.4	W257 S263 V264 E265	W257-D261 PolarHBondContact O-N 3.12Å; D261-S263 VanDerWaalsContact C-N 3.31Å; D261-S263 PolarHBondContact O-N 3.38Å; D261-V264 PolarHBondContact O-N 3.1Å; D261-E265 VanDerWaalsContact O-CB 3.31Å; D261-E265 WeakPolarHBondContact O-CB 3.36Å; D261-E265 PolarHBondContact O-N 3.5Å
262	I	98.2	Very high	96.6	Very high	15 Å²	15	44 Å²	44	8%	0.077	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-43.3	178.4	-67.9	168	0	0	0	110.7	A36 L40 K43 D258 V260 Q266	A36-I262 HydrophobicContact CB-CG2 3.93Å; A36-I262 WeakPolarHBondContact O-CG2 3.19Å; L40-I262 HydrophobicContact CB-CD1 4.2Å; L40-I262 HydrophobicContact CD1-CD1 4.15Å; K43-I262 HydrophobicContact CD-CD1 3.93Å; D258-I262 VanDerWaalsContact O-CB 3.3Å; D258-I262 WeakPolarHBondContact O-CB 3.09Å; D258-I262 WeakPolarHBondContact O-CD1 3.23Å; D258-I262 WeakPolarHBondContact O-CG1 3.42Å; D258-I262 PolarHBondContact O-N 3.05Å; V260-I262 PolarHBondContact O-N 3.28Å; I262-Q266 HydrophobicContact CG2-CG 4.48Å; I262-Q266 WeakPolarHBondContact O-CB 3.17Å; I262-Q266 VanDerWaalsContact O-CG 3.31Å; I262-Q266 WeakPolarHBondContact O-CG 3.45Å; I262-Q266 PolarHBondContact O-N 3.17Å
263	S	97.7	Very high	96.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-40.6	-177.2	-68.9	0	0	0	0	112.3	W259 V260 D261 G267 T268 F273	W259-S263 VanDerWaalsContact CD2-OG 3.26Å; W259-S263 WeakPolarHBondContact CH2-OG 3.43Å; W259-S263 VanDerWaalsContact CZ2-OG 3.25Å; W259-S263 WeakPolarHBondContact CZ2-OG 3.49Å; W259-S263 WeakPolarHBondContact O-CB 3.15Å; W259-S263 PolarHBondContact O-N 2.9Å; W259-S263 PolarHBondContact O-OG 3.07Å; V260-S263 PolarHBondContact O-N 3.17Å; D261-S263 VanDerWaalsContact C-N 3.31Å; D261-S263 PolarHBondContact O-N 3.38Å; S263-G267 PolarHBondContact O-N 3.17Å; S263-G267 VanDerWaalsContact O-N 3.17Å; S263-T268 WeakPolarHBondContact O-CB 3.47Å; S263-T268 PolarHBondContact O-N 2.92Å; S263-T268 PolarHBondContact O-OG1 3.09Å; S263-F273 VanDerWaalsContact CB-CD2 3.49Å
264	V	96.9	Very high	96.9	Very high	85 Å²	85	41 Å²	41	52%	0.515	23%	0.234	S	C	.	.	H	α-helix	trans	-69.4	-48.1	177.5	171.8	0	0	0	0	110.3	V260 D261 Q266 G267 T299 I303	V260-V264 HydrophobicContact CG1-CG2 4.47Å; V260-V264 WeakPolarHBondContact O-CG2 3.31Å; V260-V264 PolarHBondContact O-N 3Å; D261-V264 PolarHBondContact O-N 3.1Å; V264-Q266 VanDerWaalsContact C-N 3.25Å; V264-Q266 PolarHBondContact O-N 2.71Å; V264-G267 PolarHBondContact O-N 3.17Å; V264-G267 VanDerWaalsContact O-N 3.15Å; V264-T299 HydrophobicContact CG2-CG2 4.32Å; V264-I303 HydrophobicContact CG2-CD1 4.41Å
265	E	96.4	Very high	96.9	Very high	142 Å²	142	41.8 Å²	41.8	66%	0.664	24%	0.237	S	C	*	.	H	α-helix	trans	-56.1	-41.2	178.3	-174.2	-173	177.8	0	0	111.6	D261	D261-E265 VanDerWaalsContact O-CB 3.31Å; D261-E265 WeakPolarHBondContact O-CB 3.36Å; D261-E265 PolarHBondContact O-N 3.5Å
266	Q	95	Very high	96.9	Very high	61 Å²	61	41.8 Å²	41.8	29%	0.285	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	4.5	-176.8	-60.9	-175.9	10.5	0	0	114.2	S39 I262 V264 T268	S39-Q266 PolarHBondContact OG-NE2 2.78Å; I262-Q266 HydrophobicContact CG2-CG 4.48Å; I262-Q266 WeakPolarHBondContact O-CB 3.17Å; I262-Q266 VanDerWaalsContact O-CG 3.31Å; I262-Q266 WeakPolarHBondContact O-CG 3.45Å; I262-Q266 PolarHBondContact O-N 3.17Å; V264-Q266 VanDerWaalsContact C-N 3.25Å; V264-Q266 PolarHBondContact O-N 2.71Å; Q266-T268 PolarHBondContact O-N 3.04Å
267	G	94.1	Very high	96.9	Very high	60 Å²	60	41.6 Å²	41.6	62%	0.619	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	38.6	177	0	0	0	0	0	114.1	S263 V264	S263-G267 PolarHBondContact O-N 3.17Å; S263-G267 VanDerWaalsContact O-N 3.17Å; V264-G267 PolarHBondContact O-N 3.17Å; V264-G267 VanDerWaalsContact O-N 3.15Å
268	T	94.8	Very high	96.9	Very high	26 Å²	26	42.7 Å²	42.7	16%	0.16	24%	0.243	C	C	.	.			trans	-62.8	130.1	-179.5	-64.1	0	0	0	0	110.9	A36 S263 Q266 F270 C272 F273	A36-T268 WeakPolarHBondContact CB-OG1 3.38Å; S263-T268 WeakPolarHBondContact O-CB 3.47Å; S263-T268 PolarHBondContact O-N 2.92Å; S263-T268 PolarHBondContact O-OG1 3.09Å; Q266-T268 PolarHBondContact O-N 3.04Å; T268-F270 PolarHBondContact O-N 2.71Å; T268-C272 HydrophobicContact CG2-CB 3.88Å; T268-F273 HydrophobicContact CG2-CB 4.11Å
269	P	94.5	Very high	96.8	Very high	84 Å²	84	45.7 Å²	45.7	55%	0.545	25%	0.254	S	S	.	.			trans	-57.5	138.6	177	-26.2	34.6	0	0	0	112.3	T271 C272 F273	P269-T271 VanDerWaalsContact C-N 3.26Å; P269-T271 PolarHBondContact O-N 2.92Å; P269-T271 VanDerWaalsContact O-N 3.09Å; P269-C272 WeakPolarHBondContact O-CB 3.46Å; P269-C272 PolarHBondContact O-N 3.03Å; P269-F273 PolarHBondContact O-N 3.25Å
270	F	96.5	Very high	96.8	Very high	54 Å²	54	45.7 Å²	45.7	24%	0.237	25%	0.254	C	S	.	.	H	α-helix	trans	-48.1	-44.6	-174.9	170.6	-109.1	0	0	0	113.7	T268 C272 F273 H274 L296 S297 S298 T299 V302	T268-F270 PolarHBondContact O-N 2.71Å; F270-C272 VanDerWaalsContact C-N 3.32Å; F270-C272 PolarHBondContact O-N 3.38Å; F270-F273 HydrophobicContact CD2-CD1 4.24Å; F270-F273 WeakPolarHBondContact O-CB 3.31Å; F270-F273 PolarHBondContact O-N 3.49Å; F270-H274 HydrophobicContact CD2-CB 4.4Å; F270-H274 HydrophobicContact CE2-CB 3.84Å; F270-H274 HydrophobicContact CZ-CB 3.91Å; F270-H274 AromaticContact CZ-CG 3.98Å; F270-H274 AromaticContact CZ-ND1 3.54Å; F270-H274 WeakPolarHBondContact O-CB 3.35Å; F270-H274 PolarHBondContact O-N 2.91Å; F270-L296 WeakPolarHBondContact CZ-O 3.37Å; F270-S297 WeakPolarHBondContact CE1-O 3.07Å; F270-S298 VanDerWaalsContact CD2-C 3.5Å; F270-S298 WeakPolarHBondContact CE2-O 3.25Å; F270-S298 VanDerWaalsContact CZ-N 3.31Å; F270-T299 VanDerWaalsContact CD2-N 3.33Å; F270-V302 HydrophobicContact CE2-CG2 4.03Å
271	T	95.3	Very high	96.6	Very high	91 Å²	91	45.8 Å²	45.8	56%	0.558	25%	0.254	S	S	*	.	H	α-helix	trans	-61.8	-39.3	-179.2	52.5	0	0	0	0	112.6	P269 H275	P269-T271 VanDerWaalsContact C-N 3.26Å; P269-T271 PolarHBondContact O-N 2.92Å; P269-T271 VanDerWaalsContact O-N 3.09Å; T271-H275 VanDerWaalsContact O-CB 3.25Å; T271-H275 WeakPolarHBondContact O-CB 3.4Å; T271-H275 PolarHBondContact O-CD2 3.3Å; T271-H275 PolarHBondContact O-N 3.01Å; T271-H275 VanDerWaalsContact O-N 3.12Å
272	C	95.3	Very high	96.3	Very high	20 Å²	20	46 Å²	46	14%	0.135	25%	0.252	C	S	.	.	H	α-helix	trans	-71.5	-45.9	176	-169.8	0	0	0	0	110.9	T268 P269 F270 H274 H275 H276	T268-C272 HydrophobicContact CG2-CB 3.88Å; P269-C272 WeakPolarHBondContact O-CB 3.46Å; P269-C272 PolarHBondContact O-N 3.03Å; F270-C272 VanDerWaalsContact C-N 3.32Å; F270-C272 PolarHBondContact O-N 3.38Å; C272-H274 PolarHBondContact O-N 2.96Å; C272-H275 PolarHBondContact O-N 2.86Å; C272-H276 PolarHBondContact O-CD2 3.01Å; C272-H276 PolarHBondContact O-N 3.31Å; C272-H276 VanDerWaalsContact O-N 3.17Å
273	F	97.8	Very high	95.8	Very high	2 Å²	2	50 Å²	50	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-52.9	-53.3	176.5	167.1	-105.8	0	0	0	112	W259 V260 S263 T268 P269 F270 L277 T299 V302 I303	W259-F273 AromaticContact NE1-CD2 3.69Å; W259-F273 PolarHBondContact NE1-O 3.36Å; V260-F273 HydrophobicContact CB-CE2 4.44Å; V260-F273 HydrophobicContact CG2-CE2 4.05Å; V260-F273 HydrophobicContact CG2-CZ 4.14Å; S263-F273 VanDerWaalsContact CB-CD2 3.49Å; T268-F273 HydrophobicContact CG2-CB 4.11Å; P269-F273 PolarHBondContact O-N 3.25Å; F270-F273 HydrophobicContact CD2-CD1 4.24Å; F270-F273 WeakPolarHBondContact O-CB 3.31Å; F270-F273 PolarHBondContact O-N 3.49Å; F273-L277 HydrophobicContact CD2-CD1 4.5Å; F273-L277 HydrophobicContact CE1-CD1 3.96Å; F273-L277 HydrophobicContact CE2-CD1 3.84Å; F273-L277 HydrophobicContact CZ-CD1 3.56Å; F273-L277 PolarHBondContact O-N 3.47Å; F273-T299 HydrophobicContact CD1-CG2 4.13Å; F273-T299 HydrophobicContact CE1-CG2 3.78Å; F273-T299 HydrophobicContact CZ-CG2 4.13Å; F273-V302 HydrophobicContact CE1-CB 3.89Å; F273-V302 HydrophobicContact CE1-CG1 3.59Å; F273-V302 HydrophobicContact CE1-CG2 4.44Å; F273-V302 HydrophobicContact CZ-CG1 3.93Å; F273-I303 HydrophobicContact CZ-CG1 4.47Å
274	H	98.1	Very high	95.1	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-69.6	-44.7	-176.8	-173.3	-164.6	0	0	0	111.7	F270 C272 H276 L277 I278 F293 L296	F270-H274 HydrophobicContact CD2-CB 4.4Å; F270-H274 HydrophobicContact CE2-CB 3.84Å; F270-H274 HydrophobicContact CZ-CB 3.91Å; F270-H274 AromaticContact CZ-CG 3.98Å; F270-H274 AromaticContact CZ-ND1 3.54Å; F270-H274 WeakPolarHBondContact O-CB 3.35Å; F270-H274 PolarHBondContact O-N 2.91Å; C272-H274 PolarHBondContact O-N 2.96Å; H274-H276 VanDerWaalsContact C-N 3.29Å; H274-H276 PolarHBondContact O-N 3.03Å; H274-L277 WeakPolarHBondContact O-CB 3.25Å; H274-L277 PolarHBondContact O-N 3.07Å; H274-L277 VanDerWaalsContact O-N 3.1Å; H274-I278 WeakPolarHBondContact O-CG1 3.43Å; H274-I278 PolarHBondContact O-N 2.86Å; H274-F293 AromaticContact CD2-CE1 3.62Å; H274-F293 AromaticContact CD2-CZ 3.93Å; H274-F293 PolarHBondContact CE1-O 3.28Å; H274-F293 AromaticContact NE2-CD1 3.72Å; H274-F293 AromaticContact NE2-CE1 3.57Å; H274-F293 PolarHBondContact NE2-O 2.97Å; H274-L296 PolarHBondContact CE1-O 3.35Å; H274-L296 VanDerWaalsContact CE1-O 3.22Å; H274-L296 PolarHBondContact ND1-O 3.32Å
275	H	97.2	Very high	94.7	Very high	89 Å²	89	49.8 Å²	49.8	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-35.5	-179.6	-77.5	-172.7	0	0	0	113.6	T271 C272 I278 Y279	T271-H275 VanDerWaalsContact O-CB 3.25Å; T271-H275 WeakPolarHBondContact O-CB 3.4Å; T271-H275 PolarHBondContact O-CD2 3.3Å; T271-H275 PolarHBondContact O-N 3.01Å; T271-H275 VanDerWaalsContact O-N 3.12Å; C272-H275 PolarHBondContact O-N 2.86Å; H275-I278 PolarHBondContact O-N 3.05Å; H275-Y279 WeakPolarHBondContact O-CD2 3.31Å; H275-Y279 PolarHBondContact O-N 3.33Å
276	H	98.3	Very high	94.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-45.7	174.3	-93.1	-66.5	0	0	0	111.6	Y32 F37 W259 C272 H274 I278 Y279 M280	Y32-H276 PolarHBondContact O-NE2 3.35Å; Y32-H276 VanDerWaalsContact O-NE2 3.17Å; F37-H276 AromaticContact CD2-CE1 3.12Å; F37-H276 WeakPolarHBondContact CD2-CE1 3.47Å; F37-H276 AromaticContact CD2-ND1 3.47Å; F37-H276 WeakPolarHBondContact CD2-ND1 3.26Å; F37-H276 AromaticContact CD2-NE2 3.84Å; F37-H276 AromaticContact CE2-CE1 3.5Å; F37-H276 AromaticContact CE2-ND1 3.6Å; F37-H276 AromaticContact CG-CE1 3.42Å; F37-H276 VanDerWaalsContact CG-CE1 3.42Å; F37-H276 WeakPolarHBondContact CG-CE1 3.45Å; F37-H276 AromaticContact CG-NE2 3.89Å; W259-H276 HydrophobicContact CD2-CB 4.35Å; W259-H276 VanDerWaalsContact CE2-CB 3.46Å; W259-H276 HydrophobicContact CH2-CB 4.16Å; W259-H276 AromaticContact CH2-CD2 3.36Å; W259-H276 WeakPolarHBondContact CH2-CD2 3.37Å; W259-H276 AromaticContact CH2-CG 3.83Å; W259-H276 AromaticContact CH2-NE2 3.92Å; W259-H276 HydrophobicContact CZ2-CB 3.34Å; W259-H276 AromaticContact CZ2-CD2 3.31Å; W259-H276 WeakPolarHBondContact CZ2-CD2 3.48Å; W259-H276 AromaticContact CZ2-CG 3.5Å; C272-H276 PolarHBondContact O-CD2 3.01Å; C272-H276 PolarHBondContact O-N 3.31Å; C272-H276 VanDerWaalsContact O-N 3.17Å; H274-H276 VanDerWaalsContact C-N 3.29Å; H274-H276 PolarHBondContact O-N 3.03Å; H276-I278 VanDerWaalsContact C-N 3.31Å; H276-I278 PolarHBondContact O-N 3.22Å; H276-Y279 PolarHBondContact O-N 2.95Å; H276-Y279 VanDerWaalsContact O-N 3.17Å; H276-M280 HydrophobicContact CB-CE 3.85Å; H276-M280 VanDerWaalsContact O-CG 3.29Å; H276-M280 WeakPolarHBondContact O-CG 3.33Å; H276-M280 PolarHBondContact O-N 3.14Å
277	L	98	Very high	94.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-37.1	175.2	-70.6	167.3	0	0	0	112.6	I256 F273 H274 Y279 M280 L281 F293 V302 L306	I256-L277 HydrophobicContact CD1-CD2 4.23Å; I256-L277 HydrophobicContact CG2-CD2 3.73Å; F273-L277 HydrophobicContact CD2-CD1 4.5Å; F273-L277 HydrophobicContact CE1-CD1 3.96Å; F273-L277 HydrophobicContact CE2-CD1 3.84Å; F273-L277 HydrophobicContact CZ-CD1 3.56Å; F273-L277 PolarHBondContact O-N 3.47Å; H274-L277 WeakPolarHBondContact O-CB 3.25Å; H274-L277 PolarHBondContact O-N 3.07Å; H274-L277 VanDerWaalsContact O-N 3.1Å; L277-Y279 VanDerWaalsContact C-N 3.28Å; L277-Y279 PolarHBondContact O-N 3.28Å; L277-M280 HydrophobicContact CD2-SD 4.4Å; L277-M280 PolarHBondContact O-N 3.36Å; L277-L281 VanDerWaalsContact O-CB 3.25Å; L277-L281 WeakPolarHBondContact O-CB 3.31Å; L277-L281 VanDerWaalsContact O-CG 3.29Å; L277-L281 WeakPolarHBondContact O-CG 3.28Å; L277-L281 PolarHBondContact O-N 2.66Å; L277-F293 HydrophobicContact CB-CE1 3.81Å; L277-F293 HydrophobicContact CB-CZ 3.63Å; L277-F293 HydrophobicContact CD1-CZ 4.17Å; L277-F293 HydrophobicContact CG-CZ 4.49Å; L277-V302 HydrophobicContact CD1-CG1 3.47Å; L277-V302 VanDerWaalsContact CD1-CG1 3.47Å; L277-L306 HydrophobicContact CD1-CD1 4.08Å; L277-L306 HydrophobicContact CD2-CD1 4.32Å
278	I	97.1	Very high	94.1	Very high	41 Å²	41	50.4 Å²	50.4	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-43.2	174.9	-66.4	175.9	0	0	0	110.8	H274 H275 H276 E282 F293 N294	H274-I278 WeakPolarHBondContact O-CG1 3.43Å; H274-I278 PolarHBondContact O-N 2.86Å; H275-I278 PolarHBondContact O-N 3.05Å; H276-I278 VanDerWaalsContact C-N 3.31Å; H276-I278 PolarHBondContact O-N 3.22Å; I278-E282 PolarHBondContact O-N 3.02Å; I278-F293 HydrophobicContact CG1-CD1 4.04Å; I278-F293 HydrophobicContact CG1-CE1 3.93Å; I278-N294 HydrophobicContact CD1-CB 4.27Å; I278-N294 WeakPolarHBondContact CG1-OD1 3.42Å
279	Y	97.3	Very high	94	Very high	75 Å²	75	52.4 Å²	52.4	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-68.1	-46.3	176	-68	-61.8	0	0	0	112.2	Y32 L239 H275 H276 L277 L281 E282	Y32-Y279 HydrophobicContact CD1-CE2 4.38Å; Y32-Y279 AromaticContact CE1-CE2 3.7Å; Y32-Y279 HydrophobicContact CE1-CE2 3.7Å; Y32-Y279 AromaticContact CZ-CE2 3.95Å; Y32-Y279 PolarHBondContact OH-OH 3.18Å; Y32-Y279 VanDerWaalsContact OH-OH 3.12Å; L239-Y279 HydrophobicContact CB-CD2 4.2Å; L239-Y279 HydrophobicContact CB-CG 4.16Å; L239-Y279 HydrophobicContact CD1-CD2 4.48Å; L239-Y279 HydrophobicContact CD1-CE2 4.33Å; L239-Y279 WeakPolarHBondContact O-CB 3.07Å; H275-Y279 WeakPolarHBondContact O-CD2 3.31Å; H275-Y279 PolarHBondContact O-N 3.33Å; H276-Y279 PolarHBondContact O-N 2.95Å; H276-Y279 VanDerWaalsContact O-N 3.17Å; L277-Y279 VanDerWaalsContact C-N 3.28Å; L277-Y279 PolarHBondContact O-N 3.28Å; Y279-L281 VanDerWaalsContact C-N 3.26Å; Y279-L281 PolarHBondContact O-N 3.29Å; Y279-E282 WeakPolarHBondContact O-CB 3.48Å; Y279-E282 PolarHBondContact O-N 2.77Å
280	M	97.4	Very high	93.9	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-34.8	-177.2	-67.4	173.3	-159.2	0	0	112.7	F37 L40 A240 P242 T251 I256 W259 H276 L277	F37-M280 HydrophobicContact CE2-CE 4.29Å; L40-M280 HydrophobicContact CD2-CE 3.78Å; A240-M280 WeakPolarHBondContact O-CA 3.37Å; P242-M280 HydrophobicContact CG-CE 3.57Å; P242-M280 HydrophobicContact CG-CG 3.95Å; P242-M280 HydrophobicContact CG-SD 3.94Å; T251-M280 HydrophobicContact CG2-CB 4.11Å; T251-M280 HydrophobicContact CG2-CG 4.32Å; T251-M280 PolarHBondContact OG1-O 3.49Å; I256-M280 HydrophobicContact CD1-CB 3.53Å; I256-M280 HydrophobicContact CD1-CG 4.3Å; I256-M280 HydrophobicContact CD1-SD 3.96Å; W259-M280 HydrophobicContact CB-CE 4.2Å; W259-M280 HydrophobicContact CB-SD 4.26Å; W259-M280 HydrophobicContact CD2-CE 3.97Å; W259-M280 HydrophobicContact CE3-CE 4.46Å; W259-M280 HydrophobicContact CG-CE 3.83Å; W259-M280 HydrophobicContact CG-SD 4.25Å; H276-M280 HydrophobicContact CB-CE 3.85Å; H276-M280 VanDerWaalsContact O-CG 3.29Å; H276-M280 WeakPolarHBondContact O-CG 3.33Å; H276-M280 PolarHBondContact O-N 3.14Å; L277-M280 HydrophobicContact CD2-SD 4.4Å; L277-M280 PolarHBondContact O-N 3.36Å
281	L	95.2	Very high	93.8	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-89.1	-8.2	-177.8	-67.8	177.2	0	0	0	113.6	I256 L277 Y279 R283 V284 T285 F293 L306 Y310	I256-L281 HydrophobicContact CD1-CD2 4.03Å; I256-L281 HydrophobicContact CD1-CG 4.39Å; I256-L281 HydrophobicContact CG1-CD2 4.42Å; L277-L281 VanDerWaalsContact O-CB 3.25Å; L277-L281 WeakPolarHBondContact O-CB 3.31Å; L277-L281 VanDerWaalsContact O-CG 3.29Å; L277-L281 WeakPolarHBondContact O-CG 3.28Å; L277-L281 PolarHBondContact O-N 2.66Å; Y279-L281 VanDerWaalsContact C-N 3.26Å; Y279-L281 PolarHBondContact O-N 3.29Å; L281-R283 PolarHBondContact O-N 3.33Å; L281-R283 VanDerWaalsContact O-N 3.09Å; L281-V284 HydrophobicContact CB-CG2 4.47Å; L281-V284 HydrophobicContact CD2-CG2 3.9Å; L281-V284 PolarHBondContact O-N 3.18Å; L281-T285 HydrophobicContact CB-CG2 3.82Å; L281-T285 HydrophobicContact CD2-CG2 4.34Å; L281-T285 HydrophobicContact CG-CG2 4.49Å; L281-T285 WeakPolarHBondContact O-CB 3.38Å; L281-T285 WeakPolarHBondContact O-CG2 3.35Å; L281-T285 PolarHBondContact O-N 3.43Å; L281-T285 VanDerWaalsContact O-N 3.13Å; L281-T285 PolarHBondContact O-OG1 2.73Å; L281-F293 HydrophobicContact CD1-CD1 4.16Å; L281-F293 HydrophobicContact CD1-CD2 4.4Å; L281-F293 HydrophobicContact CD1-CE1 3.75Å; L281-F293 HydrophobicContact CD1-CE2 3.99Å; L281-F293 HydrophobicContact CD1-CG 4.46Å; L281-F293 HydrophobicContact CD1-CZ 3.66Å; L281-L306 HydrophobicContact CD1-CD2 3.98Å; L281-Y310 HydrophobicContact CD2-CE2 4.45Å
282	E	91.5	Very high	93.8	Very high	101 Å²	101	55.8 Å²	55.8	47%	0.472	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.1	-172	-175.1	177.8	-155.5	0	0	113	I278 Y279 R290	I278-E282 PolarHBondContact O-N 3.02Å; Y279-E282 WeakPolarHBondContact O-CB 3.48Å; Y279-E282 PolarHBondContact O-N 2.77Å; E282-R290 PolarHBondContact O-NE 3.12Å; E282-R290 PolarHBondContact O-NH1 2.84Å; E282-R290 PolarHBondContact O-NH2 3.07Å
283	R	87.1	Confident	93.8	Very high	99 Å²	99	55.1 Å²	55.1	37%	0.374	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-25.4	-177.5	-65.7	-175.6	-177.8	-178.4	1.8	114.2	Y216 D250 L281	Y216-R283 PolarHBondContact OH-NH1 3.3Å; D250-R283 WeakPolarHBondContact OD1-CD 3.43Å; L281-R283 PolarHBondContact O-N 3.33Å; L281-R283 VanDerWaalsContact O-N 3.09Å
284	V	84.4	Confident	93.7	Very high	73 Å²	73	58.8 Å²	58.8	44%	0.442	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-13.8	-171.3	-60.5	0	0	0	0	113.2	D250 L281	D250-V284 HydrophobicContact CB-CG1 4.14Å; L281-V284 HydrophobicContact CB-CG2 4.47Å; L281-V284 HydrophobicContact CD2-CG2 3.9Å; L281-V284 PolarHBondContact O-N 3.18Å
285	T	88.3	Confident	93.6	Very high	10 Å²	10	62.5 Å²	62.5	6%	0.061	32%	0.316	C	S	.	.	S	Bend	trans	-104	146.4	-177.1	56.7	0	0	0	0	112.9	L281 R290 Y310	L281-T285 HydrophobicContact CB-CG2 3.82Å; L281-T285 HydrophobicContact CD2-CG2 4.34Å; L281-T285 HydrophobicContact CG-CG2 4.49Å; L281-T285 WeakPolarHBondContact O-CB 3.38Å; L281-T285 WeakPolarHBondContact O-CG2 3.35Å; L281-T285 PolarHBondContact O-N 3.43Å; L281-T285 VanDerWaalsContact O-N 3.13Å; L281-T285 PolarHBondContact O-OG1 2.73Å; T285-R290 VanDerWaalsContact O-CZ 3.22Å; T285-R290 PolarHBondContact O-NE 3.16Å; T285-R290 PolarHBondContact O-NH2 2.88Å; T285-R290 WeakPolarHBondContact OG1-CG 3.39Å; T285-R290 PolarHBondContact OG1-NE 3.46Å; T285-Y310 WeakPolarHBondContact CG2-OH 3.24Å
286	S	90.2	Very high	93.7	Very high	53 Å²	53	59.8 Å²	59.8	37%	0.371	31%	0.305	S	S	.	.			trans	-72.3	161.6	172.8	69.8	0	0	0	0	112.2	E289 R290	S286-E289 VanDerWaalsContact CB-OE2 3.28Å; S286-E289 WeakPolarHBondContact CB-OE2 3.33Å; S286-E289 PolarHBondContact N-OE2 3.43Å; S286-E289 PolarHBondContact O-N 3.44Å; S286-E289 VanDerWaalsContact OG-CG 3.31Å; S286-E289 WeakPolarHBondContact OG-CG 3.33Å; S286-E289 PolarHBondContact OG-N 2.97Å; S286-E289 PolarHBondContact OG-OE2 3.45Å; S286-R290 WeakPolarHBondContact O-CG 3.49Å; S286-R290 PolarHBondContact O-N 2.98Å
287	Q	90.4	Very high	93.6	Very high	137 Å²	137	64.6 Å²	64.6	64%	0.64	34%	0.338	S	S	*	.	H	α-helix	trans	-59.2	-40.9	179.1	-165.8	-163.9	41.1	0	0	113.5	K291	Q287-K291 PolarHBondContact O-N 3.44Å
288	P	91.8	Very high	93.5	Very high	87 Å²	87	66.7 Å²	66.7	57%	0.565	35%	0.353	S	S	*	.	H	α-helix	trans	-62.3	-45.2	174.3	-24.3	35.8	0	0	0	113.1	R290 K291 V292	P288-R290 VanDerWaalsContact C-N 3.34Å; P288-R290 PolarHBondContact O-N 3.47Å; P288-K291 PolarHBondContact O-N 2.97Å; P288-V292 PolarHBondContact O-N 3.38Å
289	E	92.4	Very high	93.5	Very high	67 Å²	67	66.9 Å²	66.9	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-44.8	177.8	-74.2	163.8	153.6	0	0	111.5	S286 K291 V292 F293 Y305	S286-E289 VanDerWaalsContact CB-OE2 3.28Å; S286-E289 WeakPolarHBondContact CB-OE2 3.33Å; S286-E289 PolarHBondContact N-OE2 3.43Å; S286-E289 PolarHBondContact O-N 3.44Å; S286-E289 VanDerWaalsContact OG-CG 3.31Å; S286-E289 WeakPolarHBondContact OG-CG 3.33Å; S286-E289 PolarHBondContact OG-N 2.97Å; S286-E289 PolarHBondContact OG-OE2 3.45Å; E289-K291 VanDerWaalsContact C-N 3.3Å; E289-K291 PolarHBondContact O-N 2.94Å; E289-V292 PolarHBondContact O-N 2.98Å; E289-V292 VanDerWaalsContact O-N 3.17Å; E289-F293 WeakPolarHBondContact O-CB 3.37Å; E289-F293 PolarHBondContact O-N 3.13Å; E289-Y305 WeakPolarHBondContact CB-OH 3.25Å
290	R	93.3	Very high	93.5	Very high	83 Å²	83	67.6 Å²	67.6	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-40.1	176.3	-69.5	-179.9	-145.3	174.3	6.5	112.8	E282 T285 S286 P288 V292 F293 N294	E282-R290 PolarHBondContact O-NE 3.12Å; E282-R290 PolarHBondContact O-NH1 2.84Å; E282-R290 PolarHBondContact O-NH2 3.07Å; T285-R290 VanDerWaalsContact O-CZ 3.22Å; T285-R290 PolarHBondContact O-NE 3.16Å; T285-R290 PolarHBondContact O-NH2 2.88Å; T285-R290 WeakPolarHBondContact OG1-CG 3.39Å; T285-R290 PolarHBondContact OG1-NE 3.46Å; S286-R290 WeakPolarHBondContact O-CG 3.49Å; S286-R290 PolarHBondContact O-N 2.98Å; P288-R290 VanDerWaalsContact C-N 3.34Å; P288-R290 PolarHBondContact O-N 3.47Å; R290-V292 VanDerWaalsContact C-N 3.33Å; R290-F293 PolarHBondContact O-N 3.34Å; R290-N294 WeakPolarHBondContact O-CB 3.4Å; R290-N294 PolarHBondContact O-N 3.48Å; R290-N294 PolarHBondContact O-OD1 3.47Å
291	K	93.2	Very high	93.5	Very high	139 Å²	139	68.8 Å²	68.8	60%	0.604	38%	0.381	S	S	*	.	H	α-helix	trans	-63.5	-42.8	178.6	-74.3	177.8	-179.6	175.9	0	111.1	Q287 P288 E289 S295	Q287-K291 PolarHBondContact O-N 3.44Å; P288-K291 PolarHBondContact O-N 2.97Å; E289-K291 VanDerWaalsContact C-N 3.3Å; E289-K291 PolarHBondContact O-N 2.94Å; K291-S295 PolarHBondContact O-N 2.93Å
292	V	95.1	Very high	93.6	Very high	78 Å²	78	68.4 Å²	68.4	47%	0.473	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-53.7	176.1	176.2	0	0	0	0	109.8	P288 E289 R290 N294 S295 Y305	P288-V292 PolarHBondContact O-N 3.38Å; E289-V292 PolarHBondContact O-N 2.98Å; E289-V292 VanDerWaalsContact O-N 3.17Å; R290-V292 VanDerWaalsContact C-N 3.33Å; V292-N294 PolarHBondContact O-N 2.85Å; V292-S295 WeakPolarHBondContact O-CB 3.47Å; V292-S295 PolarHBondContact O-N 3.17Å; V292-S295 VanDerWaalsContact O-N 3.09Å; V292-S295 PolarHBondContact O-OG 3.37Å; V292-Y305 HydrophobicContact CG1-CD2 4.33Å; V292-Y305 HydrophobicContact CG1-CE2 3.95Å
293	F	96.2	Very high	93.9	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-56.2	-51.2	-178	-171.7	-105.5	0	0	0	112.2	H274 L277 I278 L281 E289 R290 S295 L296 V302 Y305 L306	H274-F293 AromaticContact CD2-CE1 3.62Å; H274-F293 AromaticContact CD2-CZ 3.93Å; H274-F293 PolarHBondContact CE1-O 3.28Å; H274-F293 AromaticContact NE2-CD1 3.72Å; H274-F293 AromaticContact NE2-CE1 3.57Å; H274-F293 PolarHBondContact NE2-O 2.97Å; L277-F293 HydrophobicContact CB-CE1 3.81Å; L277-F293 HydrophobicContact CB-CZ 3.63Å; L277-F293 HydrophobicContact CD1-CZ 4.17Å; L277-F293 HydrophobicContact CG-CZ 4.49Å; I278-F293 HydrophobicContact CG1-CD1 4.04Å; I278-F293 HydrophobicContact CG1-CE1 3.93Å; L281-F293 HydrophobicContact CD1-CD1 4.16Å; L281-F293 HydrophobicContact CD1-CD2 4.4Å; L281-F293 HydrophobicContact CD1-CE1 3.75Å; L281-F293 HydrophobicContact CD1-CE2 3.99Å; L281-F293 HydrophobicContact CD1-CG 4.46Å; L281-F293 HydrophobicContact CD1-CZ 3.66Å; E289-F293 WeakPolarHBondContact O-CB 3.37Å; E289-F293 PolarHBondContact O-N 3.13Å; R290-F293 PolarHBondContact O-N 3.34Å; F293-S295 PolarHBondContact O-N 3.17Å; F293-L296 HydrophobicContact CD2-CD1 3.8Å; F293-L296 HydrophobicContact CE2-CD1 4.22Å; F293-L296 VanDerWaalsContact O-CB 3.28Å; F293-L296 WeakPolarHBondContact O-CB 3.44Å; F293-L296 WeakPolarHBondContact O-CG 3.46Å; F293-L296 PolarHBondContact O-N 3.09Å; F293-V302 HydrophobicContact CE2-CG1 3.88Å; F293-V302 HydrophobicContact CZ-CG1 3.88Å; F293-Y305 HydrophobicContact CB-CE1 4.2Å; F293-Y305 AromaticContact CD2-CD1 3.32Å; F293-Y305 HydrophobicContact CD2-CD1 3.32Å; F293-Y305 AromaticContact CD2-CE1 3.45Å; F293-Y305 HydrophobicContact CD2-CE1 3.45Å; F293-Y305 VanDerWaalsContact CD2-CE1 3.45Å; F293-Y305 HydrophobicContact CD2-CG 4.04Å; F293-Y305 AromaticContact CE2-CD1 3.78Å; F293-Y305 HydrophobicContact CE2-CD1 3.78Å; F293-Y305 HydrophobicContact CE2-CE1 4.2Å; F293-Y305 HydrophobicContact CG-CD1 4.43Å; F293-Y305 HydrophobicContact CG-CE1 4.2Å; F293-L306 HydrophobicContact CE2-CD2 4.15Å; F293-L306 HydrophobicContact CE2-CG 4.41Å
294	N	95.9	Very high	94.3	Very high	79 Å²	79	66.2 Å²	66.2	42%	0.422	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-18.3	-178.1	-64.8	4.5	0	0	0	113.4	I278 R290 V292	I278-N294 HydrophobicContact CD1-CB 4.27Å; I278-N294 WeakPolarHBondContact CG1-OD1 3.42Å; R290-N294 WeakPolarHBondContact O-CB 3.4Å; R290-N294 PolarHBondContact O-N 3.48Å; R290-N294 PolarHBondContact O-OD1 3.47Å; V292-N294 PolarHBondContact O-N 2.85Å
295	S	96.4	Very high	94.9	Very high	86 Å²	86	64.2 Å²	64.2	60%	0.601	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.6	177.5	76.5	0	0	0	0	113.9	K291 V292 F293	K291-S295 PolarHBondContact O-N 2.93Å; V292-S295 WeakPolarHBondContact O-CB 3.47Å; V292-S295 PolarHBondContact O-N 3.17Å; V292-S295 VanDerWaalsContact O-N 3.09Å; V292-S295 PolarHBondContact O-OG 3.37Å; F293-S295 PolarHBondContact O-N 3.17Å
296	L	97.3	Very high	95.2	Very high	32 Å²	32	63.8 Å²	63.8	17%	0.168	36%	0.355	C	S	.	.			trans	-64	141	178.8	-59.4	174.8	0	0	0	110.6	F270 H274 F293 V302 Y305	F270-L296 WeakPolarHBondContact CZ-O 3.37Å; H274-L296 PolarHBondContact CE1-O 3.35Å; H274-L296 VanDerWaalsContact CE1-O 3.22Å; H274-L296 PolarHBondContact ND1-O 3.32Å; F293-L296 HydrophobicContact CD2-CD1 3.8Å; F293-L296 HydrophobicContact CE2-CD1 4.22Å; F293-L296 VanDerWaalsContact O-CB 3.28Å; F293-L296 WeakPolarHBondContact O-CB 3.44Å; F293-L296 WeakPolarHBondContact O-CG 3.46Å; F293-L296 PolarHBondContact O-N 3.09Å; L296-V302 HydrophobicContact CB-CG2 3.79Å; L296-V302 HydrophobicContact CD1-CB 4.46Å; L296-V302 HydrophobicContact CD1-CG2 3.94Å; L296-Y305 HydrophobicContact CD1-CD2 4.38Å; L296-Y305 HydrophobicContact CD1-CG 3.97Å
297	S	96.1	Very high	95.4	Very high	101 Å²	101	65.5 Å²	65.5	71%	0.706	36%	0.358	S	S	*	.			trans	-122.8	2.1	-167.4	60.4	0	0	0	0	114.2	F270	F270-S297 WeakPolarHBondContact CE1-O 3.07Å
298	S	97	Very high	95.6	Very high	45 Å²	45	64.9 Å²	64.9	32%	0.315	36%	0.359	S	S	.	.	S	Bend	trans	-141.9	153.9	177.9	77.7	0	0	0	0	112.4	F270 S300 S301 V302	F270-S298 VanDerWaalsContact CD2-C 3.5Å; F270-S298 WeakPolarHBondContact CE2-O 3.25Å; F270-S298 VanDerWaalsContact CZ-N 3.31Å; S298-S300 VanDerWaalsContact C-N 3.31Å; S298-S300 PolarHBondContact O-N 2.67Å; S298-S301 PolarHBondContact N-OG 3.47Å; S298-S301 PolarHBondContact O-N 3.15Å; S298-S301 PolarHBondContact O-OG 3.25Å; S298-S301 WeakPolarHBondContact OG-CB 3.38Å; S298-S301 PolarHBondContact OG-N 3.38Å; S298-S301 PolarHBondContact OG-OG 2.81Å; S298-V302 WeakPolarHBondContact O-CG2 3.2Å; S298-V302 PolarHBondContact O-N 3.17Å; S298-V302 VanDerWaalsContact O-N 3.16Å
299	T	96.9	Very high	95.6	Very high	44 Å²	44	63.4 Å²	63.4	27%	0.27	35%	0.348	S	S	.	.	H	α-helix	trans	-58.3	-44.5	175	-56.8	0	0	0	0	111	V264 F270 F273 S301 V302 I303	V264-T299 HydrophobicContact CG2-CG2 4.32Å; F270-T299 VanDerWaalsContact CD2-N 3.33Å; F273-T299 HydrophobicContact CD1-CG2 4.13Å; F273-T299 HydrophobicContact CE1-CG2 3.78Å; F273-T299 HydrophobicContact CZ-CG2 4.13Å; T299-S301 PolarHBondContact O-N 3.29Å; T299-V302 PolarHBondContact O-N 3.33Å; T299-I303 HydrophobicContact CG2-CD1 3.91Å; T299-I303 WeakPolarHBondContact O-CG1 3.19Å; T299-I303 PolarHBondContact O-N 3.42Å
300	S	96.9	Very high	95.4	Very high	91 Å²	91	63.2 Å²	63.2	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-60.1	-46.5	179.3	-55.1	0	0	0	0	112.6	S298 V302 I303 E304	S298-S300 VanDerWaalsContact C-N 3.31Å; S298-S300 PolarHBondContact O-N 2.67Å; S300-V302 VanDerWaalsContact C-N 3.27Å; S300-V302 PolarHBondContact O-N 3.19Å; S300-I303 PolarHBondContact O-N 2.88Å; S300-E304 WeakPolarHBondContact O-CB 3.28Å; S300-E304 PolarHBondContact O-N 3.49Å
301	S	97.5	Very high	95.1	Very high	26 Å²	26	60 Å²	60	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-32.1	178.1	59.9	0	0	0	0	113	S298 T299 Y305	S298-S301 PolarHBondContact N-OG 3.47Å; S298-S301 PolarHBondContact O-N 3.15Å; S298-S301 PolarHBondContact O-OG 3.25Å; S298-S301 WeakPolarHBondContact OG-CB 3.38Å; S298-S301 PolarHBondContact OG-N 3.38Å; S298-S301 PolarHBondContact OG-OG 2.81Å; T299-S301 PolarHBondContact O-N 3.29Å; S301-Y305 WeakPolarHBondContact O-CB 3.48Å; S301-Y305 PolarHBondContact O-N 3.06Å
302	V	97.6	Very high	94.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.6	-45.6	174.7	168.8	0	0	0	0	110.6	F270 F273 L277 F293 L296 S298 T299 S300 Y305 L306	F270-V302 HydrophobicContact CE2-CG2 4.03Å; F273-V302 HydrophobicContact CE1-CB 3.89Å; F273-V302 HydrophobicContact CE1-CG1 3.59Å; F273-V302 HydrophobicContact CE1-CG2 4.44Å; F273-V302 HydrophobicContact CZ-CG1 3.93Å; L277-V302 HydrophobicContact CD1-CG1 3.47Å; L277-V302 VanDerWaalsContact CD1-CG1 3.47Å; F293-V302 HydrophobicContact CE2-CG1 3.88Å; F293-V302 HydrophobicContact CZ-CG1 3.88Å; L296-V302 HydrophobicContact CB-CG2 3.79Å; L296-V302 HydrophobicContact CD1-CB 4.46Å; L296-V302 HydrophobicContact CD1-CG2 3.94Å; S298-V302 WeakPolarHBondContact O-CG2 3.2Å; S298-V302 PolarHBondContact O-N 3.17Å; S298-V302 VanDerWaalsContact O-N 3.16Å; T299-V302 PolarHBondContact O-N 3.33Å; S300-V302 VanDerWaalsContact C-N 3.27Å; S300-V302 PolarHBondContact O-N 3.19Å; V302-Y305 PolarHBondContact O-N 3.17Å; V302-L306 HydrophobicContact CG1-CD1 4.25Å; V302-L306 WeakPolarHBondContact O-CG 3.41Å; V302-L306 PolarHBondContact O-N 3.41Å
303	I	97.1	Very high	93.7	Very high	39 Å²	39	53 Å²	53	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-47.8	178.2	-68.2	170.8	0	0	0	110.6	W257 V260 V264 F273 T299 S300 Y305 L306 Q307	W257-I303 HydrophobicContact CH2-CG2 4.36Å; W257-I303 HydrophobicContact CZ3-CG2 4.25Å; V260-I303 HydrophobicContact CG1-CD1 3.89Å; V260-I303 HydrophobicContact CG1-CG1 3.87Å; V264-I303 HydrophobicContact CG2-CD1 4.41Å; F273-I303 HydrophobicContact CZ-CG1 4.47Å; T299-I303 HydrophobicContact CG2-CD1 3.91Å; T299-I303 WeakPolarHBondContact O-CG1 3.19Å; T299-I303 PolarHBondContact O-N 3.42Å; S300-I303 PolarHBondContact O-N 2.88Å; I303-Y305 VanDerWaalsContact C-N 3.31Å; I303-Y305 PolarHBondContact O-N 3.09Å; I303-L306 PolarHBondContact O-N 3.04Å; I303-L306 VanDerWaalsContact O-N 3.13Å; I303-Q307 HydrophobicContact CG2-CG 4.39Å; I303-Q307 WeakPolarHBondContact O-CG 3.34Å; I303-Q307 PolarHBondContact O-N 3.2Å
304	E	96.8	Very high	92.4	Very high	114 Å²	114	60 Å²	60	53%	0.533	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-43.3	177.5	-178.8	179.9	-172.1	0	0	111.6	S300 L306 Q307 N308	S300-E304 WeakPolarHBondContact O-CB 3.28Å; S300-E304 PolarHBondContact O-N 3.49Å; E304-L306 PolarHBondContact O-N 3.02Å; E304-Q307 PolarHBondContact O-N 2.65Å; E304-N308 WeakPolarHBondContact O-CB 3.4Å; E304-N308 VanDerWaalsContact O-CG 3.27Å; E304-N308 PolarHBondContact O-N 3.22Å; E304-N308 PolarHBondContact O-ND2 3.06Å
305	Y	96.3	Very high	90.8	Very high	32 Å²	32	60.8 Å²	60.8	13%	0.125	34%	0.344	C	S	.	.	H	α-helix	trans	-59.6	-45.8	174.8	177.7	-85.7	0	0	0	111.9	E289 V292 F293 L296 S301 V302 I303 N308 T309 Y310	E289-Y305 WeakPolarHBondContact CB-OH 3.25Å; V292-Y305 HydrophobicContact CG1-CD2 4.33Å; V292-Y305 HydrophobicContact CG1-CE2 3.95Å; F293-Y305 HydrophobicContact CB-CE1 4.2Å; F293-Y305 AromaticContact CD2-CD1 3.32Å; F293-Y305 HydrophobicContact CD2-CD1 3.32Å; F293-Y305 AromaticContact CD2-CE1 3.45Å; F293-Y305 HydrophobicContact CD2-CE1 3.45Å; F293-Y305 VanDerWaalsContact CD2-CE1 3.45Å; F293-Y305 HydrophobicContact CD2-CG 4.04Å; F293-Y305 AromaticContact CE2-CD1 3.78Å; F293-Y305 HydrophobicContact CE2-CD1 3.78Å; F293-Y305 HydrophobicContact CE2-CE1 4.2Å; F293-Y305 HydrophobicContact CG-CD1 4.43Å; F293-Y305 HydrophobicContact CG-CE1 4.2Å; L296-Y305 HydrophobicContact CD1-CD2 4.38Å; L296-Y305 HydrophobicContact CD1-CG 3.97Å; S301-Y305 WeakPolarHBondContact O-CB 3.48Å; S301-Y305 PolarHBondContact O-N 3.06Å; V302-Y305 PolarHBondContact O-N 3.17Å; I303-Y305 VanDerWaalsContact C-N 3.31Å; I303-Y305 PolarHBondContact O-N 3.09Å; Y305-N308 PolarHBondContact O-N 3.27Å; Y305-T309 HydrophobicContact CE1-CG2 4.42Å; Y305-T309 VanDerWaalsContact O-CB 3.24Å; Y305-T309 WeakPolarHBondContact O-CB 3.42Å; Y305-T309 PolarHBondContact O-N 3.39Å; Y305-T309 PolarHBondContact O-OG1 3.35Å; Y305-Y310 AromaticContact CE1-CE2 4Å; Y305-Y310 HydrophobicContact CE1-CE2 4Å
306	L	95.4	Very high	88.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-45	179.1	-69.7	174.2	0	0	0	111.4	I256 W257 V260 L277 L281 F293 V302 I303 E304 T309 Y310	I256-L306 HydrophobicContact CG2-CD1 4.01Å; I256-L306 HydrophobicContact CG2-CD2 4.15Å; W257-L306 HydrophobicContact CH2-CB 3.7Å; W257-L306 HydrophobicContact CH2-CD1 4.48Å; W257-L306 HydrophobicContact CZ2-CB 3.79Å; V260-L306 HydrophobicContact CG2-CD1 3.88Å; L277-L306 HydrophobicContact CD1-CD1 4.08Å; L277-L306 HydrophobicContact CD2-CD1 4.32Å; L281-L306 HydrophobicContact CD1-CD2 3.98Å; F293-L306 HydrophobicContact CE2-CD2 4.15Å; F293-L306 HydrophobicContact CE2-CG 4.41Å; V302-L306 HydrophobicContact CG1-CD1 4.25Å; V302-L306 WeakPolarHBondContact O-CG 3.41Å; V302-L306 PolarHBondContact O-N 3.41Å; I303-L306 PolarHBondContact O-N 3.04Å; I303-L306 VanDerWaalsContact O-N 3.13Å; E304-L306 PolarHBondContact O-N 3.02Å; L306-T309 PolarHBondContact O-N 3.21Å; L306-Y310 HydrophobicContact CD2-CD2 3.81Å; L306-Y310 HydrophobicContact CD2-CE2 3.94Å; L306-Y310 PolarHBondContact O-N 3.32Å
307	Q	94.4	Very high	86.7	Confident	90 Å²	90	68 Å²	68	42%	0.421	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-48.9	177.5	-69.1	175.1	-35.9	0	0	111.5	W257 I303 E304 T309 G311 T312	W257-Q307 HydrophobicContact CH2-CG 3.56Å; W257-Q307 HydrophobicContact CZ2-CG 3.96Å; I303-Q307 HydrophobicContact CG2-CG 4.39Å; I303-Q307 WeakPolarHBondContact O-CG 3.34Å; I303-Q307 PolarHBondContact O-N 3.2Å; E304-Q307 PolarHBondContact O-N 2.65Å; Q307-T309 VanDerWaalsContact C-N 3.33Å; Q307-T309 PolarHBondContact O-N 3.16Å; Q307-G311 VanDerWaalsContact O-CA 3.23Å; Q307-G311 WeakPolarHBondContact O-CA 3.33Å; Q307-G311 PolarHBondContact O-N 2.93Å; Q307-T312 HydrophobicContact CG-CG2 4.29Å
308	N	93.4	Very high	84	Confident	123 Å²	123	71.2 Å²	71.2	66%	0.658	39%	0.386	S	S	*	.	H	α-helix	trans	-69.7	-30.3	-176.7	-70	-24.4	0	0	0	113	E304 Y305	E304-N308 WeakPolarHBondContact O-CB 3.4Å; E304-N308 VanDerWaalsContact O-CG 3.27Å; E304-N308 PolarHBondContact O-N 3.22Å; E304-N308 PolarHBondContact O-ND2 3.06Å; Y305-N308 PolarHBondContact O-N 3.27Å
309	T	91.3	Very high	83.4	Confident	56 Å²	56	72.6 Å²	72.6	34%	0.344	39%	0.389	S	S	.	.	H	α-helix	trans	-93.9	-40.3	-173.5	-48.3	0	0	0	0	112.5	Y305 L306 Q307	Y305-T309 HydrophobicContact CE1-CG2 4.42Å; Y305-T309 VanDerWaalsContact O-CB 3.24Å; Y305-T309 WeakPolarHBondContact O-CB 3.42Å; Y305-T309 PolarHBondContact O-N 3.39Å; Y305-T309 PolarHBondContact O-OG1 3.35Å; L306-T309 PolarHBondContact O-N 3.21Å; Q307-T309 VanDerWaalsContact C-N 3.33Å; Q307-T309 PolarHBondContact O-N 3.16Å
310	Y	89.1	Confident	82.7	Confident	63 Å²	63	74.1 Å²	74.1	25%	0.247	40%	0.395	C	S	.	.	H	α-helix	trans	-117.5	-6.3	-172.2	-52.6	-69.7	0	0	0	113.6	L253 L281 T285 Y305 L306	L253-Y310 WeakPolarHBondContact CD2-O 3.33Å; L281-Y310 HydrophobicContact CD2-CE2 4.45Å; T285-Y310 WeakPolarHBondContact CG2-OH 3.24Å; Y305-Y310 AromaticContact CE1-CE2 4Å; Y305-Y310 HydrophobicContact CE1-CE2 4Å; L306-Y310 HydrophobicContact CD2-CD2 3.81Å; L306-Y310 HydrophobicContact CD2-CE2 3.94Å; L306-Y310 PolarHBondContact O-N 3.32Å
311	G	88.1	Confident	81.9	Confident	17 Å²	17	73.1 Å²	73.1	18%	0.175	38%	0.382	C	S	.	.			trans	74.2	-177	-172.9	0	0	0	0	0	113	W257 Q307	W257-G311 WeakPolarHBondContact CZ2-O 3.46Å; W257-G311 PolarHBondContact NE1-O 3.23Å; Q307-G311 VanDerWaalsContact O-CA 3.23Å; Q307-G311 WeakPolarHBondContact O-CA 3.33Å; Q307-G311 PolarHBondContact O-N 2.93Å
312	T	83.8	Confident	81	Confident	36 Å²	36	75.9 Å²	75.9	22%	0.221	39%	0.394	C	S	.	.			trans	-99.6	167	175.7	69.4	0	0	0	0	110.9	Q307 Q314 D315	Q307-T312 HydrophobicContact CG-CG2 4.29Å; T312-Q314 PolarHBondContact O-N 3.05Å; T312-Q314 PolarHBondContact OG1-N 3.48Å; T312-D315 WeakPolarHBondContact CB-OD2 3.33Å; T312-D315 PolarHBondContact N-OD2 3.45Å; T312-D315 PolarHBondContact O-N 3.4Å; T312-D315 VanDerWaalsContact O-N 3.17Å; T312-D315 VanDerWaalsContact OG1-CG 3.31Å; T312-D315 PolarHBondContact OG1-OD2 3.29Å
313	V	74.7	Confident	79.9	Confident	34 Å²	34	80.6 Å²	80.6	21%	0.206	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-56.4	-36.2	173.3	174.4	0	0	0	0	111.9	Q254 W257 D315 I316	Q254-V313 VanDerWaalsContact OE1-CG2 3.25Å; W257-V313 HydrophobicContact CB-CG2 3.58Å; W257-V313 VanDerWaalsContact CD1-CG2 3.5Å; W257-V313 HydrophobicContact CG-CG2 3.69Å; V313-D315 PolarHBondContact O-N 2.99Å; V313-I316 PolarHBondContact O-N 2.85Å; V313-I316 VanDerWaalsContact O-N 3.12Å
314	Q	69.3	Low	78.8	Confident	153 Å²	153	83.4 Å²	83.4	72%	0.715	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-66.1	-24.7	-177.7	-69.6	161.7	-5.9	0	0	112.5	T312 I316	T312-Q314 PolarHBondContact O-N 3.05Å; T312-Q314 PolarHBondContact OG1-N 3.48Å; Q314-I316 VanDerWaalsContact C-N 3.28Å; Q314-I316 PolarHBondContact O-N 2.85Å
315	D	61.8	Low	77.5	Confident	95 Å²	95	81.2 Å²	81.2	51%	0.508	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-78.7	-11.5	178.3	-55.3	-50.3	0	0	0	112.7	T312 V313 T318	T312-D315 WeakPolarHBondContact CB-OD2 3.33Å; T312-D315 PolarHBondContact N-OD2 3.45Å; T312-D315 PolarHBondContact O-N 3.4Å; T312-D315 VanDerWaalsContact O-N 3.17Å; T312-D315 VanDerWaalsContact OG1-CG 3.31Å; T312-D315 PolarHBondContact OG1-OD2 3.29Å; V313-D315 PolarHBondContact O-N 2.99Å; D315-T318 PolarHBondContact O-OG1 3.44Å
316	I	57	Low	76	Confident	100 Å²	100	85 Å²	85	51%	0.513	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-22.9	-179.6	-53.5	170.6	0	0	0	112	L253 V313 Q314 T318	L253-I316 HydrophobicContact CB-CD1 3.99Å; L253-I316 HydrophobicContact CD2-CD1 3.58Å; L253-I316 HydrophobicContact CD2-CG1 4.3Å; L253-I316 HydrophobicContact CG-CD1 3.97Å; V313-I316 PolarHBondContact O-N 2.85Å; V313-I316 VanDerWaalsContact O-N 3.12Å; Q314-I316 VanDerWaalsContact C-N 3.28Å; Q314-I316 PolarHBondContact O-N 2.85Å; I316-T318 VanDerWaalsContact C-N 3.34Å
317	E	49.3	Very low	74.4	Confident	168 Å²	168	92.1 Å²	92.1	79%	0.785	49%	0.486	S	S	*	.			trans	-89	-2	-178.3	-66.9	-173.2	160.9	0	0	113
318	T	41.1	Very low	72.6	Confident	170 Å²	170	92.3 Å²	92.3	100%	1.043	49%	0.492	S	S	*	.			trans	-106.7	0	174	44.7	0	0	0	0	112.3	D315 I316	D315-T318 PolarHBondContact O-OG1 3.44Å; I316-T318 VanDerWaalsContact C-N 3.34Å

Retrieved 318 of 318 residues in 162.9 ms (Link to these results)

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