A0A024R6G4_HUMAN Loading...

Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial

Malonate and methylmalonate semialdehyde dehydrogenase involved in the catabolism of valine, thymine, and compounds catabolized by way of beta-alanine, including uracil and cytidine.

AlphaFold DB , UniProt , Accession A0A024R6G4, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 535 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	40.9	Very low	193 Å²	193	89.4 Å²	89.4	95%	0.951	53%	0.527	S	S	*	.				0	-49.2	0	-150	165.9	153.4	0	0	112.6	L4 L5	M1-L4 PolarHBondContact O-N 3.35Å; M1-L5 PolarHBondContact O-N 3.48Å
2	A	31.8	Very low	41.5	Very low	80 Å²	80	86.8 Å²	86.8	66%	0.661	52%	0.524	S	S	*	.	H	α-helix	trans	-62.6	-39.9	176.8	0	0	0	0	0	115	L4 L5 A6	A2-L4 PolarHBondContact O-N 2.89Å; A2-L5 PolarHBondContact O-N 3.39Å; A2-A6 PolarHBondContact O-N 3.03Å
3	A	32.6	Very low	42.5	Very low	55 Å²	55	87.8 Å²	87.8	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-36.5	177.3	0	0	0	0	0	113.4	A6 A7	A3-A6 PolarHBondContact O-N 3.4Å; A3-A7 WeakPolarHBondContact O-CB 3.42Å; A3-A7 PolarHBondContact O-N 2.86Å
4	L	34.4	Very low	42.9	Very low	137 Å²	137	85.6 Å²	85.6	72%	0.717	50%	0.496	S	S	*	.	H	α-helix	trans	-66.4	-40.4	174.1	-93.3	144	0	0	0	111.8	M1 A2 A7 A8	M1-L4 PolarHBondContact O-N 3.35Å; A2-L4 PolarHBondContact O-N 2.89Å; L4-A7 PolarHBondContact O-N 2.87Å; L4-A8 VanDerWaalsContact O-CB 3.27Å; L4-A8 WeakPolarHBondContact O-CB 3.35Å; L4-A8 PolarHBondContact O-N 2.97Å
5	L	39.3	Very low	42.8	Very low	115 Å²	115	90.1 Å²	90.1	60%	0.602	52%	0.517	S	S	*	.	H	α-helix	trans	-66.4	-37.4	175.1	-73.5	164.6	0	0	0	112	M1 A2 A8 A9	M1-L5 PolarHBondContact O-N 3.48Å; A2-L5 PolarHBondContact O-N 3.39Å; L5-A8 PolarHBondContact O-N 2.62Å; L5-A9 VanDerWaalsContact O-CB 3.3Å; L5-A9 WeakPolarHBondContact O-CB 3.22Å; L5-A9 PolarHBondContact O-N 3.47Å
6	A	40.9	Very low	43.1	Very low	29 Å²	29	94.8 Å²	94.8	24%	0.24	53%	0.533	C	S	.	.	H	α-helix	trans	-67.4	-45.3	174.9	0	0	0	0	0	112.2	A2 A3 A8 A9 V10 A92	A2-A6 PolarHBondContact O-N 3.03Å; A3-A6 PolarHBondContact O-N 3.4Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.34Å; A6-A9 PolarHBondContact O-N 2.69Å; A6-V10 WeakPolarHBondContact O-CG2 3.5Å; A6-V10 PolarHBondContact O-N 2.95Å; A6-A92 HydrophobicContact CB-CB 3.97Å
7	A	39.7	Very low	43.5	Very low	53 Å²	53	92.8 Å²	92.8	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-37.7	175.2	0	0	0	0	0	112.3	A3 L4 R11	A3-A7 WeakPolarHBondContact O-CB 3.42Å; A3-A7 PolarHBondContact O-N 2.86Å; L4-A7 PolarHBondContact O-N 2.87Å; A7-R11 PolarHBondContact O-N 3.45Å
8	A	44.8	Very low	43.8	Very low	55 Å²	55	92.6 Å²	92.6	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-68.1	-39.4	173.8	0	0	0	0	0	112.4	L4 L5 A6 R11 A12	L4-A8 VanDerWaalsContact O-CB 3.27Å; L4-A8 WeakPolarHBondContact O-CB 3.35Å; L4-A8 PolarHBondContact O-N 2.97Å; L5-A8 PolarHBondContact O-N 2.62Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.34Å; A8-R11 PolarHBondContact O-N 2.93Å; A8-A12 WeakPolarHBondContact O-CB 3.06Å; A8-A12 PolarHBondContact O-N 3.19Å
9	A	52.7	Low	44.1	Very low	54 Å²	54	91.4 Å²	91.4	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-38.3	176.5	0	0	0	0	0	112.4	L5 A6 A12 R13	L5-A9 VanDerWaalsContact O-CB 3.3Å; L5-A9 WeakPolarHBondContact O-CB 3.22Å; L5-A9 PolarHBondContact O-N 3.47Å; A6-A9 PolarHBondContact O-N 2.69Å; A9-A12 PolarHBondContact O-N 3.16Å; A9-R13 PolarHBondContact O-N 3.26Å; A9-R13 VanDerWaalsContact O-N 3.11Å
10	V	46.6	Very low	44.3	Very low	14 Å²	14	95.5 Å²	95.5	9%	0.085	54%	0.538	C	S	.	.	H	α-helix	trans	-61.5	-49.9	170.7	173.3	0	0	0	0	109.9	A6 A12 R13 I14 P231	A6-V10 WeakPolarHBondContact O-CG2 3.5Å; A6-V10 PolarHBondContact O-N 2.95Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3.17Å; V10-R13 PolarHBondContact O-N 2.85Å; V10-I14 HydrophobicContact CG1-CD1 4Å; V10-I14 WeakPolarHBondContact O-CG1 3.33Å; V10-I14 PolarHBondContact O-N 2.94Å; V10-I14 VanDerWaalsContact O-N 3.16Å; V10-P231 HydrophobicContact CG2-CG 3.89Å
11	R	49.3	Very low	44.8	Very low	198 Å²	198	93 Å²	93	75%	0.747	53%	0.525	S	S	*	.	H	α-helix	trans	-58.9	-38.8	176.2	-86.6	-175.1	173.5	-173.3	-1.4	113.8	A7 A8 I14	A7-R11 PolarHBondContact O-N 3.45Å; A8-R11 PolarHBondContact O-N 2.93Å; R11-I14 WeakPolarHBondContact O-CB 3.45Å; R11-I14 PolarHBondContact O-N 3.5Å
12	A	47.9	Very low	45.1	Very low	59 Å²	59	92.7 Å²	92.7	49%	0.488	52%	0.518	S	S	.	.	H	α-helix	trans	-69.8	-40.2	-179.4	0	0	0	0	0	112.5	A8 A9 V10 I14 L15	A8-A12 WeakPolarHBondContact O-CB 3.06Å; A8-A12 PolarHBondContact O-N 3.19Å; A9-A12 PolarHBondContact O-N 3.16Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3.17Å; A12-I14 VanDerWaalsContact C-N 3.32Å; A12-I14 PolarHBondContact O-N 3.38Å; A12-L15 PolarHBondContact O-N 3.07Å
13	R	54.3	Low	45.6	Very low	100 Å²	100	95.1 Å²	95.1	38%	0.377	53%	0.53	S	S	.	.	H	α-helix	trans	-69.2	-28.1	175.5	-80.5	-171.2	178.4	-175.7	5.9	113.1	A9 V10 L15 Q16 D232	A9-R13 PolarHBondContact O-N 3.26Å; A9-R13 VanDerWaalsContact O-N 3.11Å; V10-R13 PolarHBondContact O-N 2.85Å; R13-L15 PolarHBondContact O-N 3.14Å; R13-L15 VanDerWaalsContact O-N 3.15Å; R13-Q16 PolarHBondContact O-N 3.1Å; R13-D232 IonicContact CZ-OD1 3.37Å; R13-D232 IonicContact CZ-OD2 3.46Å; R13-D232 IonicContact NH1-OD1 3.42Å; R13-D232 PolarHBondContact NH1-OD1 2.97Å; R13-D232 IonicContact NH1-OD2 2.67Å; R13-D232 IonicContact NH2-OD1 2.67Å; R13-D232 IonicContact NH2-OD2 3.87Å; R13-D232 PolarHBondContact NH2-OD2 3.23Å
14	I	48.2	Very low	46.6	Very low	56 Å²	56	95.8 Å²	95.8	29%	0.287	53%	0.532	S	S	.	.	H	α-helix	trans	-57.5	-27.5	176.2	-73.1	170.6	0	0	0	112.4	V10 R11 A12	V10-I14 HydrophobicContact CG1-CD1 4Å; V10-I14 WeakPolarHBondContact O-CG1 3.33Å; V10-I14 PolarHBondContact O-N 2.94Å; V10-I14 VanDerWaalsContact O-N 3.16Å; R11-I14 WeakPolarHBondContact O-CB 3.45Å; R11-I14 PolarHBondContact O-N 3.5Å; A12-I14 VanDerWaalsContact C-N 3.32Å; A12-I14 PolarHBondContact O-N 3.38Å
15	L	40.8	Very low	47.8	Very low	153 Å²	153	91.6 Å²	91.6	80%	0.801	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.9	-175.7	-65.9	169.8	0	0	0	114.6	A12 R13	A12-L15 PolarHBondContact O-N 3.07Å; R13-L15 PolarHBondContact O-N 3.14Å; R13-L15 VanDerWaalsContact O-N 3.15Å
16	Q	47.5	Very low	48.9	Very low	166 Å²	166	89.1 Å²	89.1	78%	0.776	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	16.3	-174	-70.7	-172.3	-24.5	0	0	114.8	R13 S18	R13-Q16 PolarHBondContact O-N 3.1Å; Q16-S18 PolarHBondContact O-N 2.98Å
17	V	49.9	Very low	50.3	Low	61 Å²	61	88 Å²	88	37%	0.37	49%	0.492	S	S	.	.			trans	-72.4	123.1	-172.7	-175.1	0	0	0	0	111.6
18	S	49.3	Very low	51.5	Low	88 Å²	88	86.9 Å²	86.9	62%	0.615	48%	0.477	S	S	*	.			trans	-98.2	138.8	169.9	-176.5	0	0	0	0	110.1	Q16	Q16-S18 PolarHBondContact O-N 2.98Å
19	S	49.2	Very low	52.1	Low	71 Å²	71	86.6 Å²	86.6	50%	0.497	47%	0.471	S	S	.	.	S	Bend	trans	-84.7	-4.3	-170.9	55.5	0	0	0	0	115.7
20	K	49.4	Very low	51.8	Low	172 Å²	172	88.1 Å²	88.1	75%	0.748	48%	0.483	S	S	*	.			trans	-140	126.1	179.4	-73.4	-173	176.9	179	0	112.4
21	V	53.7	Low	51.5	Low	43 Å²	43	89.9 Å²	89.9	26%	0.261	50%	0.497	S	S	.	.			trans	-69.9	128	168.9	-177.6	0	0	0	0	108.3	L224	V21-L224 HydrophobicContact CG2-CD2 3.91Å
22	K	44.8	Very low	51	Low	187 Å²	187	85.4 Å²	85.4	81%	0.813	50%	0.495	S	S	*	.			trans	-62.8	147.7	174.1	-71.2	-176.3	178.7	-179.4	0	110.2	S24	K22-S24 PolarHBondContact O-N 3.14Å
23	S	43.4	Very low	50.7	Low	132 Å²	132	92.8 Å²	92.8	92%	0.923	52%	0.517	S	S	*	.	S	Bend	trans	-65	16.8	-161.4	58.6	0	0	0	0	118.5
24	S	51.6	Low	50.1	Low	69 Å²	69	91.4 Å²	91.4	48%	0.483	52%	0.523	S	S	.	.	S	Bend	trans	-122.9	123	175.8	63.6	0	0	0	0	110.5	K22 T26	K22-S24 PolarHBondContact O-N 3.14Å; S24-T26 PolarHBondContact O-N 2.93Å
25	P	61.2	Low	50.4	Low	48 Å²	48	95.3 Å²	95.3	31%	0.312	56%	0.555	S	S	.	*			trans	-63.1	105.3	-180	-15.9	26.9	0	0	0	110.9	W27 Y28	P25-W27 HydrophobicContact CB-CD2 4.1Å; P25-W27 HydrophobicContact CB-CH2 4.03Å; P25-W27 HydrophobicContact CB-CZ2 3.56Å; P25-W27 HydrophobicContact CG-CZ2 4.49Å; P25-W27 PolarHBondContact O-N 3.35Å; P25-Y28 HydrophobicContact CB-CD2 3.87Å; P25-Y28 HydrophobicContact CG-CD2 4.27Å; P25-Y28 PolarHBondContact O-N 3.41Å; P25-Y28 VanDerWaalsContact O-O 3.1Å
26	T	62.3	Low	51.9	Low	63 Å²	63	91.2 Å²	91.2	39%	0.387	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.5	-176.8	54.6	0	0	0	0	115	S24 K41	S24-T26 PolarHBondContact O-N 2.93Å; T26-K41 PolarHBondContact O-NZ 3.05Å
27	W	70.6	Confident	53.7	Low	6 Å²	6	85.7 Å²	85.7	2%	0.023	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-13.7	178.2	56.6	86.4	0	0	0	114.3	P25 K41 F48 L122 M219 L220 K223	P25-W27 HydrophobicContact CB-CD2 4.1Å; P25-W27 HydrophobicContact CB-CH2 4.03Å; P25-W27 HydrophobicContact CB-CZ2 3.56Å; P25-W27 HydrophobicContact CG-CZ2 4.49Å; P25-W27 PolarHBondContact O-N 3.35Å; W27-K41 PolarHBondContact O-N 3.12Å; W27-K41 VanDerWaalsContact O-N 3.07Å; W27-F48 HydrophobicContact CB-CD1 3.45Å; W27-F48 VanDerWaalsContact CB-CD1 3.45Å; W27-F48 HydrophobicContact CB-CE1 3.62Å; W27-F48 HydrophobicContact CB-CG 4.28Å; W27-F48 HydrophobicContact CE3-CE1 4.28Å; W27-F48 HydrophobicContact CE3-CZ 4.31Å; W27-F48 HydrophobicContact CG-CE1 4.4Å; W27-L122 HydrophobicContact CZ2-CD1 3.91Å; W27-M219 HydrophobicContact CB-CB 4.15Å; W27-M219 HydrophobicContact CB-CE 4.35Å; W27-M219 HydrophobicContact CD2-CB 4.06Å; W27-M219 HydrophobicContact CG-CB 3.68Å; W27-M219 HydrophobicContact CG-CG 4.5Å; W27-L220 HydrophobicContact CH2-CB 3.59Å; W27-L220 HydrophobicContact CH2-CD1 3.5Å; W27-L220 HydrophobicContact CH2-CD2 4.32Å; W27-L220 HydrophobicContact CH2-CG 3.94Å; W27-L220 HydrophobicContact CZ2-CB 3.62Å; W27-L220 HydrophobicContact CZ2-CD1 4.38Å; W27-L220 HydrophobicContact CZ2-CG 4.36Å; W27-L220 HydrophobicContact CZ3-CB 4.29Å; W27-L220 HydrophobicContact CZ3-CD1 3.98Å; W27-K223 HydrophobicContact CE3-CB 4.46Å; W27-K223 HydrophobicContact CZ3-CB 4.14Å; W27-K223 HydrophobicContact CZ3-CG 4.4Å
28	Y	63.4	Low	55.8	Low	30 Å²	30	84.8 Å²	84.8	12%	0.118	51%	0.512	C	S	.	.	B	Isolated β-bridge	trans	-88.6	133.9	161.8	-81.2	-69.5	0	0	0	108	P25 A30 P38 T39 V40 E126	P25-Y28 HydrophobicContact CB-CD2 3.87Å; P25-Y28 HydrophobicContact CG-CD2 4.27Å; P25-Y28 PolarHBondContact O-N 3.41Å; P25-Y28 VanDerWaalsContact O-O 3.1Å; Y28-A30 PolarHBondContact O-N 3.43Å; Y28-A30 VanDerWaalsContact O-N 3.11Å; Y28-P38 HydrophobicContact CD1-CB 3.89Å; Y28-P38 HydrophobicContact CD1-CG 4.11Å; Y28-T39 WeakPolarHBondContact CA-O 3.46Å; Y28-V40 HydrophobicContact CD1-CG2 4Å; Y28-V40 HydrophobicContact CE1-CG2 3.36Å; Y28-E126 PolarHBondContact OH-OE1 2.92Å
29	S	57.4	Low	58	Low	49 Å²	49	81.9 Å²	81.9	34%	0.343	49%	0.49	S	S	.	.			trans	-60.9	113.6	168.1	168.9	0	0	0	0	109.4	S31 T39	S29-S31 PolarHBondContact O-N 3.26Å; S29-T39 PolarHBondContact N-O 2.78Å; S29-T39 VanDerWaalsContact N-O 3.1Å
30	A	47	Very low	60.2	Low	85 Å²	85	78.5 Å²	78.5	70%	0.702	47%	0.467	S	S	*	.			trans	-74.9	111.1	171.5	0	0	0	0	0	108.8	Y28 S32	Y28-A30 PolarHBondContact O-N 3.43Å; Y28-A30 VanDerWaalsContact O-N 3.11Å; A30-S32 PolarHBondContact O-N 3.41Å
31	S	39.3	Very low	62.5	Low	52 Å²	52	72.4 Å²	72.4	36%	0.364	44%	0.441	S	S	.	.			trans	-78	98.1	168.4	176.5	0	0	0	0	108.8	S29 F33 S34	S29-S31 PolarHBondContact O-N 3.26Å; S31-F33 PolarHBondContact O-N 3.31Å; S31-S34 WeakPolarHBondContact CB-O 3.43Å; S31-S34 VanDerWaalsContact OG-C 3.28Å; S31-S34 VanDerWaalsContact OG-CA 3.22Å; S31-S34 WeakPolarHBondContact OG-CA 3.47Å; S31-S34 VanDerWaalsContact OG-CB 3.24Å; S31-S34 WeakPolarHBondContact OG-CB 3.45Å; S31-S34 PolarHBondContact OG-N 3.32Å; S31-S34 PolarHBondContact OG-O 3.45Å
32	S	39.3	Very low	64.7	Low	103 Å²	103	70.4 Å²	70.4	72%	0.72	43%	0.428	S	S	*	.	S	Bend	trans	-73.8	101.5	158.7	49.1	0	0	0	0	107.3	A30	A30-S32 PolarHBondContact O-N 3.41Å
33	F	42.6	Very low	67.2	Low	215 Å²	215	61.9 Å²	61.9	94%	0.943	39%	0.391	S	S	*	.	S	Bend	trans	77.4	25.9	169.8	-61.2	-87.8	0	0	0	119.4	S31	S31-F33 PolarHBondContact O-N 3.31Å
34	S	41.6	Very low	69.9	Low	70 Å²	70	56.6 Å²	56.6	49%	0.49	35%	0.352	S	S	.	.			trans	-126.5	139.2	170	160.8	0	0	0	0	113	S31 S36	S31-S34 WeakPolarHBondContact CB-O 3.43Å; S31-S34 VanDerWaalsContact OG-C 3.28Å; S31-S34 VanDerWaalsContact OG-CA 3.22Å; S31-S34 WeakPolarHBondContact OG-CA 3.47Å; S31-S34 VanDerWaalsContact OG-CB 3.24Å; S31-S34 WeakPolarHBondContact OG-CB 3.45Å; S31-S34 PolarHBondContact OG-N 3.32Å; S31-S34 PolarHBondContact OG-O 3.45Å; S34-S36 PolarHBondContact O-N 3.49Å; S34-S36 PolarHBondContact OG-N 3.34Å; S34-S36 PolarHBondContact OG-OG 2.99Å
35	S	54.5	Low	72	Confident	138 Å²	138	54.3 Å²	54.3	97%	0.965	34%	0.34	S	S	*	.			trans	-69.4	18.6	177.4	58.9	0	0	0	0	115.1
36	S	72.4	Confident	73.7	Confident	68 Å²	68	52.4 Å²	52.4	48%	0.476	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-90.1	130.8	-175.7	54.7	0	0	0	0	112.3	S34	S34-S36 PolarHBondContact O-N 3.49Å; S34-S36 PolarHBondContact OG-N 3.34Å; S34-S36 PolarHBondContact OG-OG 2.99Å
37	V	85.9	Confident	75.4	Confident	49 Å²	49	56.2 Å²	56.2	30%	0.297	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-53.2	132.8	172.9	176.6	0	0	0	0	110.7	V67 R70	V37-V67 HydrophobicContact CG1-CG1 3.75Å; V37-V67 HydrophobicContact CG2-CG1 4.37Å; V37-R70 HydrophobicContact CG1-CG 4.13Å
38	P	92	Very high	76.7	Confident	43 Å²	43	57.7 Å²	57.7	28%	0.279	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-70.3	146.5	-175.3	30.5	-36.6	0	0	0	112.4	Y28 I68 G69 R70	Y28-P38 HydrophobicContact CD1-CB 3.89Å; Y28-P38 HydrophobicContact CD1-CG 4.11Å; P38-I68 VanDerWaalsContact CG-O 3.26Å; P38-I68 WeakPolarHBondContact CG-O 3.45Å; P38-G69 CarbonylContact O-C 3.58Å; P38-G69 WeakPolarHBondContact O-CA 3.07Å; P38-R70 PolarHBondContact O-N 3.45Å
39	T	95.5	Very high	78.4	Confident	26 Å²	26	58.9 Å²	58.9	16%	0.16	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-101.8	143.9	177.7	54	0	0	0	0	111.7	Y28 S29 E50 W56 R70	Y28-T39 WeakPolarHBondContact CA-O 3.46Å; S29-T39 PolarHBondContact N-O 2.78Å; S29-T39 VanDerWaalsContact N-O 3.1Å; T39-E50 PolarHBondContact OG1-OE1 2.67Å; T39-W56 HydrophobicContact CG2-CE3 4.02Å; T39-W56 HydrophobicContact CG2-CH2 3.73Å; T39-W56 HydrophobicContact CG2-CZ2 4.36Å; T39-W56 HydrophobicContact CG2-CZ3 3.54Å; T39-R70 CarbonylContact C-O 3.43Å; T39-R70 WeakPolarHBondContact CA-O 3.47Å; T39-R70 HydrophobicContact CG2-CB 4.41Å
40	V	96.4	Very high	80.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-88.8	126.6	173.4	-179.5	0	0	0	0	109.3	Y28 I59 R70 V71 P72 P215 M219	Y28-V40 HydrophobicContact CD1-CG2 4Å; Y28-V40 HydrophobicContact CE1-CG2 3.36Å; V40-I59 HydrophobicContact CG2-CD1 3.55Å; V40-R70 PolarHBondContact N-O 3.42Å; V40-V71 HydrophobicContact CB-CB 4.31Å; V40-V71 HydrophobicContact CB-CG2 4.17Å; V40-V71 HydrophobicContact CG1-CG2 4.33Å; V40-P72 WeakPolarHBondContact O-CD 3.17Å; V40-P215 HydrophobicContact CB-CG 4.46Å; V40-P215 HydrophobicContact CG1-CB 4.1Å; V40-P215 HydrophobicContact CG1-CG 4.12Å; V40-P215 HydrophobicContact CG2-CG 3.85Å; V40-M219 HydrophobicContact CG1-CG 4.08Å
41	K	98.1	Very high	82.7	Confident	45 Å²	45	56.8 Å²	56.8	20%	0.196	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-78.7	158.9	178.4	-67.4	175.9	-173.7	168.9	0	112.5	T26 W27 F48 V49 E50 M219 H239	T26-K41 PolarHBondContact O-NZ 3.05Å; W27-K41 PolarHBondContact O-N 3.12Å; W27-K41 VanDerWaalsContact O-N 3.07Å; K41-F48 HydrophobicContact CB-CB 4.04Å; K41-F48 HydrophobicContact CD-CB 3.68Å; K41-V49 WeakPolarHBondContact CB-O 3.25Å; K41-E50 WeakPolarHBondContact CE-OE2 3.47Å; K41-E50 WeakPolarHBondContact CG-OE2 3.39Å; K41-M219 WeakPolarHBondContact O-CE 3.34Å; K41-H239 PolarHBondContact O-NE2 2.8Å
42	L	98.6	Very high	85.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	162.3	162.2	-55.7	170.5	0	0	0	109.6	I44 F48 V49 P72 A74 E78 H239	L42-I44 HydrophobicContact CB-CD1 4.13Å; L42-I44 HydrophobicContact CB-CG1 4.22Å; L42-I44 HydrophobicContact CD1-CD1 4.03Å; L42-F48 CarbonylContact O-C 3.6Å; L42-F48 VanDerWaalsContact O-CA 3.27Å; L42-F48 WeakPolarHBondContact O-CA 3.31Å; L42-V49 HydrophobicContact CB-CB 4.45Å; L42-V49 PolarHBondContact N-O 3.34Å; L42-V49 PolarHBondContact O-N 2.91Å; L42-P72 HydrophobicContact CD2-CG 4.14Å; L42-A74 HydrophobicContact CD2-CB 4.02Å; L42-E78 HydrophobicContact CD1-CB 3.8Å; L42-E78 HydrophobicContact CD1-CG 3.87Å; L42-H239 HydrophobicContact CD2-CB 4.48Å
43	F	98.8	Very high	88.1	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.035	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	102.4	169.2	-173.5	-105.5	0	0	0	109.6	K47 F48 M219 A222 Q226 L235 N236 I237	F43-K47 CarbonylContact C-O 3.57Å; F43-K47 WeakPolarHBondContact CA-O 3.43Å; F43-F48 HydrophobicContact CD2-CD1 4Å; F43-F48 HydrophobicContact CD2-CD2 4.28Å; F43-F48 AromaticContact CD2-CE1 3.8Å; F43-F48 HydrophobicContact CD2-CE1 3.8Å; F43-F48 HydrophobicContact CD2-CE2 4.04Å; F43-F48 HydrophobicContact CD2-CG 4.24Å; F43-F48 AromaticContact CD2-CZ 3.8Å; F43-F48 HydrophobicContact CD2-CZ 3.8Å; F43-F48 HydrophobicContact CE2-CD2 4.41Å; F43-F48 HydrophobicContact CE2-CE1 4.42Å; F43-F48 AromaticContact CE2-CE2 3.94Å; F43-F48 HydrophobicContact CE2-CE2 3.94Å; F43-F48 AromaticContact CE2-CZ 3.95Å; F43-F48 HydrophobicContact CE2-CZ 3.95Å; F43-M219 HydrophobicContact CB-CE 3.94Å; F43-A222 HydrophobicContact CD1-CB 4.09Å; F43-A222 HydrophobicContact CD2-CB 4.46Å; F43-A222 HydrophobicContact CE1-CB 4.26Å; F43-A222 HydrophobicContact CG-CB 4.19Å; F43-Q226 HydrophobicContact CZ-CB 4.33Å; F43-L235 HydrophobicContact CD1-CG 4.46Å; F43-L235 HydrophobicContact CE1-CB 4.47Å; F43-L235 WeakPolarHBondContact CE1-O 3.24Å; F43-N236 CarbonylContact O-C 3.47Å; F43-N236 WeakPolarHBondContact O-CA 3.33Å; F43-N236 WeakPolarHBondContact O-CB 3.34Å; F43-I237 HydrophobicContact CB-CB 3.86Å; F43-I237 HydrophobicContact CB-CD1 4.24Å; F43-I237 HydrophobicContact CB-CG1 4.01Å; F43-I237 PolarHBondContact N-O 3.33Å; F43-I237 PolarHBondContact O-N 2.61Å
44	I	98.8	Very high	90.7	Very high	22 Å²	22	55.6 Å²	55.6	11%	0.113	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.8	-174	-59.8	175.3	0	0	0	109.6	L42 G46 K47 V49 A82 N236	L42-I44 HydrophobicContact CB-CD1 4.13Å; L42-I44 HydrophobicContact CB-CG1 4.22Å; L42-I44 HydrophobicContact CD1-CD1 4.03Å; I44-G46 VanDerWaalsContact C-N 3.29Å; I44-G46 PolarHBondContact O-N 3.25Å; I44-K47 PolarHBondContact N-O 3.31Å; I44-K47 PolarHBondContact O-N 3.24Å; I44-K47 VanDerWaalsContact O-N 3.07Å; I44-V49 HydrophobicContact CB-CG2 4.29Å; I44-A82 HydrophobicContact CD1-CB 4.12Å; I44-A82 HydrophobicContact CG1-CB 4.09Å; I44-N236 WeakPolarHBondContact CA-OD1 3.48Å
45	G	97.5	Very high	93.3	Very high	21 Å²	21	57.3 Å²	57.3	22%	0.216	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	37.7	176.6	0	0	0	0	0	113.4	K47 S85 N236	G45-K47 VanDerWaalsContact C-N 3.31Å; G45-K47 PolarHBondContact O-N 2.84Å; G45-S85 VanDerWaalsContact CA-OG 3.23Å; G45-S85 WeakPolarHBondContact CA-OG 3.48Å; G45-S85 PolarHBondContact N-OG 3.45Å; G45-N236 PolarHBondContact N-OD1 2.98Å
46	G	96.3	Very high	95.4	Very high	7 Å²	7	54.5 Å²	54.5	7%	0.072	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	22	-177.3	0	0	0	0	0	113.8	I44 Q226	I44-G46 VanDerWaalsContact C-N 3.29Å; I44-G46 PolarHBondContact O-N 3.25Å; G46-Q226 PolarHBondContact O-NE2 3.43Å
47	K	97.7	Very high	96.6	Very high	143 Å²	143	52.6 Å²	52.6	62%	0.622	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.9	178.4	-61.6	-175.3	-177.3	-179.1	0	110.8	F43 I44 G45 V49	F43-K47 CarbonylContact C-O 3.57Å; F43-K47 WeakPolarHBondContact CA-O 3.43Å; I44-K47 PolarHBondContact N-O 3.31Å; I44-K47 PolarHBondContact O-N 3.24Å; I44-K47 VanDerWaalsContact O-N 3.07Å; G45-K47 VanDerWaalsContact C-N 3.31Å; G45-K47 PolarHBondContact O-N 2.84Å; K47-V49 HydrophobicContact CB-CG2 4.21Å; K47-V49 PolarHBondContact O-N 3.22Å
48	F	98.1	Very high	97.1	Very high	38 Å²	38	53.3 Å²	53.3	17%	0.167	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.4	166.6	-62.6	-86	0	0	0	108.5	W27 K41 L42 F43 M219 K223	W27-F48 HydrophobicContact CB-CD1 3.45Å; W27-F48 VanDerWaalsContact CB-CD1 3.45Å; W27-F48 HydrophobicContact CB-CE1 3.62Å; W27-F48 HydrophobicContact CB-CG 4.28Å; W27-F48 HydrophobicContact CE3-CE1 4.28Å; W27-F48 HydrophobicContact CE3-CZ 4.31Å; W27-F48 HydrophobicContact CG-CE1 4.4Å; K41-F48 HydrophobicContact CB-CB 4.04Å; K41-F48 HydrophobicContact CD-CB 3.68Å; L42-F48 CarbonylContact O-C 3.6Å; L42-F48 VanDerWaalsContact O-CA 3.27Å; L42-F48 WeakPolarHBondContact O-CA 3.31Å; F43-F48 HydrophobicContact CD2-CD1 4Å; F43-F48 HydrophobicContact CD2-CD2 4.28Å; F43-F48 AromaticContact CD2-CE1 3.8Å; F43-F48 HydrophobicContact CD2-CE1 3.8Å; F43-F48 HydrophobicContact CD2-CE2 4.04Å; F43-F48 HydrophobicContact CD2-CG 4.24Å; F43-F48 AromaticContact CD2-CZ 3.8Å; F43-F48 HydrophobicContact CD2-CZ 3.8Å; F43-F48 HydrophobicContact CE2-CD2 4.41Å; F43-F48 HydrophobicContact CE2-CE1 4.42Å; F43-F48 AromaticContact CE2-CE2 3.94Å; F43-F48 HydrophobicContact CE2-CE2 3.94Å; F43-F48 AromaticContact CE2-CZ 3.95Å; F43-F48 HydrophobicContact CE2-CZ 3.95Å; F48-M219 HydrophobicContact CD1-CE 3.7Å; F48-M219 HydrophobicContact CE1-CE 3.73Å; F48-K223 HydrophobicContact CE2-CB 4.36Å; F48-K223 HydrophobicContact CE2-CD 3.66Å; F48-K223 HydrophobicContact CZ-CB 3.85Å; F48-K223 HydrophobicContact CZ-CD 4.04Å
49	V	97.8	Very high	97.4	Very high	54 Å²	54	51.3 Å²	51.3	33%	0.327	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.2	-171.6	179.6	0	0	0	0	109.3	K41 L42 I44 K47	K41-V49 WeakPolarHBondContact CB-O 3.25Å; L42-V49 HydrophobicContact CB-CB 4.45Å; L42-V49 PolarHBondContact N-O 3.34Å; L42-V49 PolarHBondContact O-N 2.91Å; I44-V49 HydrophobicContact CB-CG2 4.29Å; K47-V49 HydrophobicContact CB-CG2 4.21Å; K47-V49 PolarHBondContact O-N 3.22Å
50	E	97.5	Very high	97.5	Very high	79 Å²	79	53.4 Å²	53.4	37%	0.369	26%	0.259	S	S	.	.			trans	-66.5	133.6	171.9	-161.8	63.1	-140.1	0	0	109.6	T39 K41	T39-E50 PolarHBondContact OG1-OE1 2.67Å; K41-E50 WeakPolarHBondContact CE-OE2 3.47Å; K41-E50 WeakPolarHBondContact CG-OE2 3.39Å
51	S	97.7	Very high	97.6	Very high	12 Å²	12	54.7 Å²	54.7	8%	0.084	27%	0.266	C	S	.	.			trans	-76.9	145.4	-179.2	-176.7	0	0	0	0	111.5	S53 P72 E78	S51-S53 VanDerWaalsContact C-N 3.26Å; S51-S53 WeakPolarHBondContact OG-CB 3.37Å; S51-S53 PolarHBondContact OG-N 3.39Å; S51-S53 VanDerWaalsContact OG-N 3.09Å; S51-P72 VanDerWaalsContact CB-CB 3.41Å; S51-P72 WeakPolarHBondContact OG-CB 3.42Å; S51-E78 WeakPolarHBondContact CA-OE1 3.46Å; S51-E78 WeakPolarHBondContact CB-OE1 3.33Å; S51-E78 PolarHBondContact OG-OE1 2.84Å; S51-E78 PolarHBondContact OG-OE2 2.72Å
52	K	96.9	Very high	97.6	Very high	192 Å²	192	52.5 Å²	52.5	84%	0.835	26%	0.257	S	S	*	.			trans	-87	6.2	169.9	-61.4	-176.8	179.3	-178.2	0	112.7	E78	K52-E78 PolarHBondContact N-OE1 3.2Å
53	S	96.4	Very high	97.5	Very high	12 Å²	12	52.7 Å²	52.7	8%	0.084	26%	0.258	C	S	.	.			trans	-68	141	178.7	-166.2	0	0	0	0	111.6	S51 K55 W56 Q73	S51-S53 VanDerWaalsContact C-N 3.26Å; S51-S53 WeakPolarHBondContact OG-CB 3.37Å; S51-S53 PolarHBondContact OG-N 3.39Å; S51-S53 VanDerWaalsContact OG-N 3.09Å; S53-K55 PolarHBondContact OG-N 2.84Å; S53-K55 VanDerWaalsContact OG-N 3.12Å; S53-K55 PolarHBondContact OG-O 3.47Å; S53-W56 PolarHBondContact O-NE1 2.85Å; S53-Q73 WeakPolarHBondContact CB-O 3.36Å; S53-Q73 PolarHBondContact OG-O 3.24Å
54	D	95.8	Very high	97.5	Very high	141 Å²	141	53.8 Å²	53.8	75%	0.754	27%	0.266	S	S	*	.	S	Bend	trans	-89.6	-10.3	166.8	60.7	-15.2	0	0	0	112
55	K	97.3	Very high	97.4	Very high	105 Å²	105	54.7 Å²	54.7	46%	0.457	27%	0.271	S	S	.	.			trans	-102.7	118.4	-179.6	-67.6	176.8	-170.5	175.9	0	110.7	S53 Q73	S53-K55 PolarHBondContact OG-N 2.84Å; S53-K55 VanDerWaalsContact OG-N 3.12Å; S53-K55 PolarHBondContact OG-O 3.47Å; K55-Q73 HydrophobicContact CB-CB 3.98Å; K55-Q73 HydrophobicContact CB-CG 4.16Å; K55-Q73 PolarHBondContact O-N 3.37Å
56	W	97.3	Very high	97.3	Very high	79 Å²	79	60 Å²	60	30%	0.299	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.6	-178.3	-63.5	85.4	0	0	0	111	T39 S53 R70 P72	T39-W56 HydrophobicContact CG2-CE3 4.02Å; T39-W56 HydrophobicContact CG2-CH2 3.73Å; T39-W56 HydrophobicContact CG2-CZ2 4.36Å; T39-W56 HydrophobicContact CG2-CZ3 3.54Å; S53-W56 PolarHBondContact O-NE1 2.85Å; W56-R70 HydrophobicContact CB-CB 4.34Å; W56-R70 HydrophobicContact CE3-CB 3.9Å; W56-P72 HydrophobicContact CD2-CB 4.48Å; W56-P72 HydrophobicContact CE3-CB 3.99Å; W56-P72 HydrophobicContact CH2-CB 4.01Å; W56-P72 HydrophobicContact CH2-CG 4.45Å; W56-P72 HydrophobicContact CZ2-CB 4.46Å; W56-P72 HydrophobicContact CZ3-CB 3.75Å; W56-P72 HydrophobicContact CZ3-CG 4.06Å
57	I	97.6	Very high	97.4	Very high	29 Å²	29	62 Å²	62	15%	0.149	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.6	176.3	-57.9	169.9	0	0	0	107.4	R70 V71 Q73 E212 Q241	I57-R70 CarbonylContact O-C 3.24Å; I57-R70 VanDerWaalsContact O-CA 3.31Å; I57-R70 WeakPolarHBondContact O-CA 3.28Å; I57-V71 HydrophobicContact CB-CG1 3.81Å; I57-V71 HydrophobicContact CG2-CG1 4.41Å; I57-V71 PolarHBondContact N-O 2.85Å; I57-V71 PolarHBondContact O-N 2.93Å; I57-Q73 HydrophobicContact CD1-CG 3.74Å; I57-Q73 HydrophobicContact CG1-CG 3.95Å; I57-E212 HydrophobicContact CD1-CB 4.03Å; I57-E212 HydrophobicContact CD1-CG 4.02Å; I57-E212 HydrophobicContact CG2-CG 4.26Å; I57-Q241 HydrophobicContact CD1-CG 3.63Å
58	D	97.8	Very high	97.3	Very high	64 Å²	64	57 Å²	57	34%	0.342	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.8	178.7	-73.2	-25.1	0	0	0	111.2	H60 V67 R70	D58-H60 VanDerWaalsContact CB-CE1 3.42Å; D58-H60 WeakPolarHBondContact CB-CE1 3.22Å; D58-H60 PolarHBondContact O-ND1 3.29Å; D58-V67 HydrophobicContact CB-CG1 3.9Å; D58-V67 HydrophobicContact CB-CG2 4.09Å; D58-R70 VanDerWaalsContact OD1-CG 3.23Å; D58-R70 WeakPolarHBondContact OD1-CG 3.29Å; D58-R70 IonicContact OD1-CZ 3.83Å; D58-R70 IonicContact OD1-NE 3.49Å; D58-R70 PolarHBondContact OD1-NE 2.88Å; D58-R70 IonicContact OD1-NH2 3.66Å
59	I	97.8	Very high	97.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.2	170.8	-53.9	168.2	0	0	0	106.6	V40 V67 I68 G69 V71 E126 P215	V40-I59 HydrophobicContact CG2-CD1 3.55Å; I59-V67 CarbonylContact O-C 3.52Å; I59-V67 WeakPolarHBondContact O-CA 3.47Å; I59-I68 HydrophobicContact CB-CG1 4.29Å; I59-I68 HydrophobicContact CG2-CD1 4Å; I59-I68 HydrophobicContact CG2-CG1 3.87Å; I59-I68 WeakPolarHBondContact O-CG1 3.44Å; I59-I68 PolarHBondContact O-N 3.02Å; I59-G69 WeakPolarHBondContact CB-O 3.45Å; I59-G69 PolarHBondContact N-O 3.21Å; I59-G69 PolarHBondContact O-N 3.05Å; I59-V71 HydrophobicContact CD1-CB 4.22Å; I59-V71 HydrophobicContact CG1-CB 4.46Å; I59-V71 HydrophobicContact CG1-CG1 4.5Å; I59-E126 HydrophobicContact CG2-CB 4.46Å; I59-E126 HydrophobicContact CG2-CG 4.15Å; I59-P215 HydrophobicContact CD1-CG 3.58Å; I59-P215 HydrophobicContact CG1-CG 4.49Å
60	H	97.1	Very high	97.2	Very high	71 Å²	71	57.5 Å²	57.5	33%	0.329	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.3	-177.5	-65.3	67	0	0	0	110	D58 P62 N65 E66	D58-H60 VanDerWaalsContact CB-CE1 3.42Å; D58-H60 WeakPolarHBondContact CB-CE1 3.22Å; D58-H60 PolarHBondContact O-ND1 3.29Å; H60-P62 VanDerWaalsContact O-CD 3.31Å; H60-P62 WeakPolarHBondContact O-CD 3.13Å; H60-N65 PolarHBondContact CD2-O 3.14Å; H60-E66 CarbonylContact C-O 3.4Å; H60-E66 VanDerWaalsContact CA-O 3.31Å; H60-E66 WeakPolarHBondContact CA-O 3.39Å
61	N	98	Very high	97.2	Very high	26 Å²	26	53.7 Å²	53.7	14%	0.139	26%	0.258	C	S	.	.			trans	-74.9	114	159.2	177.2	-23.4	0	0	0	107.6	A63 T64 N65 E66 I68	N61-A63 PolarHBondContact O-N 2.59Å; N61-A63 VanDerWaalsContact O-N 3.14Å; N61-A63 WeakPolarHBondContact OD1-CB 3.46Å; N61-A63 PolarHBondContact OD1-N 2.67Å; N61-T64 PolarHBondContact O-N 3.22Å; N61-T64 VanDerWaalsContact O-N 3.17Å; N61-N65 VanDerWaalsContact O-CA 3.25Å; N61-N65 WeakPolarHBondContact O-CA 3.26Å; N61-N65 PolarHBondContact O-N 2.92Å; N61-E66 PolarHBondContact N-O 2.85Å; N61-I68 HydrophobicContact CB-CD1 4.36Å; N61-I68 HydrophobicContact CB-CG2 3.75Å
62	P	98.4	Very high	97.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.2	-173.8	25.8	-33.3	0	0	0	114.2	H60 Q127 P357 L358 N397	H60-P62 VanDerWaalsContact O-CD 3.31Å; H60-P62 WeakPolarHBondContact O-CD 3.13Å; P62-Q127 WeakPolarHBondContact CG-O 3.34Å; P62-P357 HydrophobicContact CB-CB 4.15Å; P62-P357 HydrophobicContact CB-CG 3.76Å; P62-P357 HydrophobicContact CG-CG 3.84Å; P62-P357 WeakPolarHBondContact O-CB 3.46Å; P62-L358 VanDerWaalsContact CB-O 3.27Å; P62-L358 WeakPolarHBondContact CB-O 3.34Å; P62-N397 PolarHBondContact O-N 3.07Å; P62-N397 PolarHBondContact O-ND2 3.37Å
63	A	98.1	Very high	97.3	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.033	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-28.7	176	0	0	0	0	0	112.5	N61 A347 P357 Y393 G396 F398	N61-A63 PolarHBondContact O-N 2.59Å; N61-A63 VanDerWaalsContact O-N 3.14Å; N61-A63 WeakPolarHBondContact OD1-CB 3.46Å; N61-A63 PolarHBondContact OD1-N 2.67Å; A63-A347 HydrophobicContact CB-CB 3.64Å; A63-P357 HydrophobicContact CB-CG 4.13Å; A63-Y393 HydrophobicContact CB-CD1 3.93Å; A63-Y393 HydrophobicContact CB-CE1 4.24Å; A63-G396 WeakPolarHBondContact O-CA 3.35Å; A63-G396 PolarHBondContact O-N 3.47Å; A63-F398 HydrophobicContact CB-CE2 4.45Å; A63-F398 HydrophobicContact CB-CZ 4.02Å
64	T	97.4	Very high	97.3	Very high	31 Å²	31	45.8 Å²	45.8	19%	0.19	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-19	-178.2	62.3	0	0	0	0	113.5	N61 E66 Y393	N61-T64 PolarHBondContact O-N 3.22Å; N61-T64 VanDerWaalsContact O-N 3.17Å; T64-E66 PolarHBondContact O-N 3.3Å; T64-E66 WeakPolarHBondContact OG1-CB 3.31Å; T64-E66 PolarHBondContact OG1-N 2.93Å; T64-Y393 HydrophobicContact CG2-CD1 3.86Å; T64-Y393 HydrophobicContact CG2-CE1 4.01Å
65	N	96.8	Very high	97.5	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.219	20%	0.199	C	C	.	.			trans	57.9	18.8	-164.9	-79.4	-43.9	0	0	0	114.4	H60 N61 N395 N397	H60-N65 PolarHBondContact CD2-O 3.14Å; N61-N65 VanDerWaalsContact O-CA 3.25Å; N61-N65 WeakPolarHBondContact O-CA 3.26Å; N61-N65 PolarHBondContact O-N 2.92Å; N65-N395 PolarHBondContact ND2-O 2.99Å; N65-N397 PolarHBondContact ND2-OD1 2.95Å; N65-N397 PolarHBondContact OD1-ND2 3.43Å; N65-N397 PolarHBondContact OD1-OD1 3.48Å
66	E	96.4	Very high	97.5	Very high	131 Å²	131	42.9 Å²	42.9	61%	0.612	21%	0.206	S	C	*	.			trans	-76.1	143	171.4	-66.3	175	159.3	0	0	110.7	H60 N61 T64 I68	H60-E66 CarbonylContact C-O 3.4Å; H60-E66 VanDerWaalsContact CA-O 3.31Å; H60-E66 WeakPolarHBondContact CA-O 3.39Å; N61-E66 PolarHBondContact N-O 2.85Å; T64-E66 PolarHBondContact O-N 3.3Å; T64-E66 WeakPolarHBondContact OG1-CB 3.31Å; T64-E66 PolarHBondContact OG1-N 2.93Å; E66-I68 PolarHBondContact O-N 3.16Å
67	V	96.8	Very high	97.6	Very high	51 Å²	51	42.5 Å²	42.5	31%	0.309	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115	174.5	-176.5	0	0	0	0	109	V37 D58 I59 G69	V37-V67 HydrophobicContact CG1-CG1 3.75Å; V37-V67 HydrophobicContact CG2-CG1 4.37Å; D58-V67 HydrophobicContact CB-CG1 3.9Å; D58-V67 HydrophobicContact CB-CG2 4.09Å; I59-V67 CarbonylContact O-C 3.52Å; I59-V67 WeakPolarHBondContact O-CA 3.47Å; V67-G69 WeakPolarHBondContact CG1-O 3.27Å
68	I	95.7	Very high	97.7	Very high	38 Å²	38	41.9 Å²	41.9	20%	0.195	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-13.1	-178.4	56.3	168.3	0	0	0	113.1	P38 I59 N61 E66 L125 E126	P38-I68 VanDerWaalsContact CG-O 3.26Å; P38-I68 WeakPolarHBondContact CG-O 3.45Å; I59-I68 HydrophobicContact CB-CG1 4.29Å; I59-I68 HydrophobicContact CG2-CD1 4Å; I59-I68 HydrophobicContact CG2-CG1 3.87Å; I59-I68 WeakPolarHBondContact O-CG1 3.44Å; I59-I68 PolarHBondContact O-N 3.02Å; N61-I68 HydrophobicContact CB-CD1 4.36Å; N61-I68 HydrophobicContact CB-CG2 3.75Å; E66-I68 PolarHBondContact O-N 3.16Å; I68-L125 HydrophobicContact CD1-CD1 4.09Å; I68-L125 HydrophobicContact CD1-CD2 4.2Å; I68-L125 HydrophobicContact CD1-CG 3.68Å; I68-E126 HydrophobicContact CD1-CG 3.97Å
69	G	96.3	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	175.3	179.1	0	0	0	0	0	112.3	P38 I59 V67	P38-G69 CarbonylContact O-C 3.58Å; P38-G69 WeakPolarHBondContact O-CA 3.07Å; I59-G69 WeakPolarHBondContact CB-O 3.45Å; I59-G69 PolarHBondContact N-O 3.21Å; I59-G69 PolarHBondContact O-N 3.05Å; V67-G69 WeakPolarHBondContact CG1-O 3.27Å
70	R	97.5	Very high	97.7	Very high	101 Å²	101	41.6 Å²	41.6	38%	0.381	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.2	173.7	-74.4	179.4	174.8	162.6	2.5	111	V37 P38 T39 V40 W56 I57 D58	V37-R70 HydrophobicContact CG1-CG 4.13Å; P38-R70 PolarHBondContact O-N 3.45Å; T39-R70 CarbonylContact C-O 3.43Å; T39-R70 WeakPolarHBondContact CA-O 3.47Å; T39-R70 HydrophobicContact CG2-CB 4.41Å; V40-R70 PolarHBondContact N-O 3.42Å; W56-R70 HydrophobicContact CB-CB 4.34Å; W56-R70 HydrophobicContact CE3-CB 3.9Å; I57-R70 CarbonylContact O-C 3.24Å; I57-R70 VanDerWaalsContact O-CA 3.31Å; I57-R70 WeakPolarHBondContact O-CA 3.28Å; D58-R70 VanDerWaalsContact OD1-CG 3.23Å; D58-R70 WeakPolarHBondContact OD1-CG 3.29Å; D58-R70 IonicContact OD1-CZ 3.83Å; D58-R70 IonicContact OD1-NE 3.49Å; D58-R70 PolarHBondContact OD1-NE 2.88Å; D58-R70 IonicContact OD1-NH2 3.66Å
71	V	97.6	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.4	174.9	70.4	0	0	0	0	110.2	V40 I57 I59 E212 P215 H239	V40-V71 HydrophobicContact CB-CB 4.31Å; V40-V71 HydrophobicContact CB-CG2 4.17Å; V40-V71 HydrophobicContact CG1-CG2 4.33Å; I57-V71 HydrophobicContact CB-CG1 3.81Å; I57-V71 HydrophobicContact CG2-CG1 4.41Å; I57-V71 PolarHBondContact N-O 2.85Å; I57-V71 PolarHBondContact O-N 2.93Å; I59-V71 HydrophobicContact CD1-CB 4.22Å; I59-V71 HydrophobicContact CG1-CB 4.46Å; I59-V71 HydrophobicContact CG1-CG1 4.5Å; V71-E212 HydrophobicContact CG1-CB 3.73Å; V71-E212 VanDerWaalsContact CG1-O 3.3Å; V71-E212 WeakPolarHBondContact CG1-O 3.25Å; V71-P215 HydrophobicContact CG2-CG 4.44Å; V71-H239 HydrophobicContact CG2-CB 3.37Å
72	P	98.1	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	149.5	-177.4	29.5	-34.6	0	0	0	111.2	V40 L42 S51 W56 A74 H239	V40-P72 WeakPolarHBondContact O-CD 3.17Å; L42-P72 HydrophobicContact CD2-CG 4.14Å; S51-P72 VanDerWaalsContact CB-CB 3.41Å; S51-P72 WeakPolarHBondContact OG-CB 3.42Å; W56-P72 HydrophobicContact CD2-CB 4.48Å; W56-P72 HydrophobicContact CE3-CB 3.99Å; W56-P72 HydrophobicContact CH2-CB 4.01Å; W56-P72 HydrophobicContact CH2-CG 4.45Å; W56-P72 HydrophobicContact CZ2-CB 4.46Å; W56-P72 HydrophobicContact CZ3-CB 3.75Å; W56-P72 HydrophobicContact CZ3-CG 4.06Å; P72-A74 PolarHBondContact O-N 3.39Å; P72-H239 HydrophobicContact CG-CB 4.44Å; P72-H239 CarbonylContact O-C 3.59Å; P72-H239 VanDerWaalsContact O-CB 3.23Å; P72-H239 WeakPolarHBondContact O-CB 3.28Å
73	Q	98.3	Very high	97.9	Very high	46 Å²	46	39.1 Å²	39.1	22%	0.215	21%	0.21	C	C	.	.			trans	-82.5	101.7	155.7	-61.1	-161.6	58	0	0	107.6	S53 K55 I57 T75	S53-Q73 WeakPolarHBondContact CB-O 3.36Å; S53-Q73 PolarHBondContact OG-O 3.24Å; K55-Q73 HydrophobicContact CB-CB 3.98Å; K55-Q73 HydrophobicContact CB-CG 4.16Å; K55-Q73 PolarHBondContact O-N 3.37Å; I57-Q73 HydrophobicContact CD1-CG 3.74Å; I57-Q73 HydrophobicContact CG1-CG 3.95Å; Q73-T75 PolarHBondContact O-N 2.92Å
74	A	98.4	Very high	97.9	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	22%	0.222	C	C	.	.			trans	-56.4	132.5	-173.9	0	0	0	0	0	111.1	L42 P72 E78 M79 I238 H239	L42-A74 HydrophobicContact CD2-CB 4.02Å; P72-A74 PolarHBondContact O-N 3.39Å; A74-E78 HydrophobicContact CB-CB 4.49Å; A74-M79 HydrophobicContact CB-CG 3.99Å; A74-I238 HydrophobicContact CB-CB 4.36Å; A74-H239 WeakPolarHBondContact CB-O 3.37Å; A74-H239 PolarHBondContact N-O 2.88Å
75	T	98.6	Very high	98	Very high	44 Å²	44	39.4 Å²	39.4	27%	0.27	22%	0.215	S	C	.	.			trans	-67.7	157.4	176.4	65.1	0	0	0	0	110.4	Q73 A77 E78 M79	Q73-T75 PolarHBondContact O-N 2.92Å; T75-A77 PolarHBondContact O-N 3.03Å; T75-E78 WeakPolarHBondContact CB-OE2 3.48Å; T75-E78 PolarHBondContact N-OE2 3.05Å; T75-E78 PolarHBondContact O-N 3.1Å; T75-E78 VanDerWaalsContact OG1-CG 3.25Å; T75-E78 WeakPolarHBondContact OG1-CG 3.21Å; T75-E78 PolarHBondContact OG1-N 3.46Å; T75-E78 PolarHBondContact OG1-OE2 2.94Å; T75-M79 WeakPolarHBondContact O-CG 3.42Å; T75-M79 PolarHBondContact O-N 3.09Å
76	K	98.3	Very high	98.1	Very high	140 Å²	140	37.5 Å²	37.5	61%	0.609	20%	0.204	S	C	*	.	H	α-helix	trans	-53.1	-41.8	174.6	-177	178.1	-179	-64.5	0	112.5	E78 M79 D80	K76-E78 VanDerWaalsContact C-N 3.32Å; K76-E78 PolarHBondContact O-N 3.35Å; K76-M79 PolarHBondContact O-N 3.3Å; K76-D80 IonicContact NZ-OD1 2.92Å; K76-D80 IonicContact NZ-OD2 3.82Å; K76-D80 PolarHBondContact NZ-OD2 3.46Å; K76-D80 WeakPolarHBondContact O-CB 3.38Å; K76-D80 VanDerWaalsContact O-CG 3.28Å; K76-D80 PolarHBondContact O-N 3.2Å
77	A	98.6	Very high	98.2	Very high	71 Å²	71	35.8 Å²	35.8	59%	0.587	20%	0.195	S	C	*	.	H	α-helix	trans	-63	-36.6	179.4	0	0	0	0	0	112.7	T75 A81	T75-A77 PolarHBondContact O-N 3.03Å; A77-A81 VanDerWaalsContact O-CB 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.23Å; A77-A81 PolarHBondContact O-N 3.08Å
78	E	98.8	Very high	98.3	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-72.2	-39.6	176.3	-70	162.3	149.5	0	0	111.9	L42 S51 K52 A74 T75 K76 A81 A82	L42-E78 HydrophobicContact CD1-CB 3.8Å; L42-E78 HydrophobicContact CD1-CG 3.87Å; S51-E78 WeakPolarHBondContact CA-OE1 3.46Å; S51-E78 WeakPolarHBondContact CB-OE1 3.33Å; S51-E78 PolarHBondContact OG-OE1 2.84Å; S51-E78 PolarHBondContact OG-OE2 2.72Å; K52-E78 PolarHBondContact N-OE1 3.2Å; A74-E78 HydrophobicContact CB-CB 4.49Å; T75-E78 WeakPolarHBondContact CB-OE2 3.48Å; T75-E78 PolarHBondContact N-OE2 3.05Å; T75-E78 PolarHBondContact O-N 3.1Å; T75-E78 VanDerWaalsContact OG1-CG 3.25Å; T75-E78 WeakPolarHBondContact OG1-CG 3.21Å; T75-E78 PolarHBondContact OG1-N 3.46Å; T75-E78 PolarHBondContact OG1-OE2 2.94Å; K76-E78 VanDerWaalsContact C-N 3.32Å; K76-E78 PolarHBondContact O-N 3.35Å; E78-A81 PolarHBondContact O-N 2.96Å; E78-A82 PolarHBondContact O-N 2.77Å
79	M	98.8	Very high	98.4	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-44.6	174.3	-64.9	-168.4	-73	0	0	111.7	A74 T75 K76 A81 A82 I83 I238 A244 F247	A74-M79 HydrophobicContact CB-CG 3.99Å; T75-M79 WeakPolarHBondContact O-CG 3.42Å; T75-M79 PolarHBondContact O-N 3.09Å; K76-M79 PolarHBondContact O-N 3.3Å; M79-A81 VanDerWaalsContact C-N 3.32Å; M79-A81 PolarHBondContact O-N 3.49Å; M79-A82 PolarHBondContact O-N 3.03Å; M79-I83 PolarHBondContact O-N 2.99Å; M79-I83 VanDerWaalsContact O-N 3.1Å; M79-I238 HydrophobicContact CB-CD1 4.45Å; M79-I238 HydrophobicContact CG-CD1 3.82Å; M79-I238 HydrophobicContact CG-CG2 4.48Å; M79-I238 HydrophobicContact SD-CD1 3.98Å; M79-A244 HydrophobicContact SD-CB 4.01Å; M79-F247 VanDerWaalsContact C-CZ 3.47Å; M79-F247 HydrophobicContact CB-CD1 3.86Å; M79-F247 HydrophobicContact CB-CD2 3.95Å; M79-F247 HydrophobicContact CB-CE1 3.7Å; M79-F247 HydrophobicContact CB-CE2 3.77Å; M79-F247 HydrophobicContact CB-CG 3.98Å; M79-F247 HydrophobicContact CB-CZ 3.66Å; M79-F247 HydrophobicContact CE-CB 4.04Å; M79-F247 HydrophobicContact CE-CD2 4.22Å; M79-F247 HydrophobicContact CE-CG 4.15Å; M79-F247 HydrophobicContact CG-CD1 4.39Å; M79-F247 HydrophobicContact CG-CG 4.46Å; M79-F247 WeakPolarHBondContact O-CZ 3.25Å; M79-F247 HydrophobicContact SD-CB 3.71Å; M79-F247 HydrophobicContact SD-CD1 4Å; M79-F247 HydrophobicContact SD-CD2 4.28Å; M79-F247 HydrophobicContact SD-CG 3.73Å
80	D	98.8	Very high	98.6	Very high	51 Å²	51	42.9 Å²	42.9	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-60.7	-41.3	173.6	-72.8	-28	0	0	0	110.8	K76 A82 I83 A84 F247	K76-D80 IonicContact NZ-OD1 2.92Å; K76-D80 IonicContact NZ-OD2 3.82Å; K76-D80 PolarHBondContact NZ-OD2 3.46Å; K76-D80 WeakPolarHBondContact O-CB 3.38Å; K76-D80 VanDerWaalsContact O-CG 3.28Å; K76-D80 PolarHBondContact O-N 3.2Å; D80-A82 PolarHBondContact O-N 3.41Å; D80-I83 PolarHBondContact O-N 3.14Å; D80-A84 VanDerWaalsContact O-CB 3.31Å; D80-A84 WeakPolarHBondContact O-CB 3.31Å; D80-A84 PolarHBondContact O-N 2.89Å; D80-F247 WeakPolarHBondContact OD1-CE2 3.34Å
81	A	98.8	Very high	98.6	Very high	43 Å²	43	41.6 Å²	41.6	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-64.4	-38.8	176.6	0	0	0	0	0	112.8	A77 E78 M79 A84 S85	A77-A81 VanDerWaalsContact O-CB 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.23Å; A77-A81 PolarHBondContact O-N 3.08Å; E78-A81 PolarHBondContact O-N 2.96Å; M79-A81 VanDerWaalsContact C-N 3.32Å; M79-A81 PolarHBondContact O-N 3.49Å; A81-A84 PolarHBondContact O-N 2.65Å; A81-S85 WeakPolarHBondContact O-CB 3.12Å; A81-S85 PolarHBondContact O-N 2.6Å
82	A	98.9	Very high	98.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-46.6	176.1	0	0	0	0	0	111.6	I44 E78 M79 D80 S85 C86 L207 N236 I238	I44-A82 HydrophobicContact CD1-CB 4.12Å; I44-A82 HydrophobicContact CG1-CB 4.09Å; E78-A82 PolarHBondContact O-N 2.77Å; M79-A82 PolarHBondContact O-N 3.03Å; D80-A82 PolarHBondContact O-N 3.41Å; A82-S85 WeakPolarHBondContact O-CB 3.46Å; A82-S85 PolarHBondContact O-N 2.78Å; A82-C86 PolarHBondContact O-N 2.87Å; A82-L207 HydrophobicContact CB-CD1 3.8Å; A82-N236 HydrophobicContact CB-CB 4.1Å; A82-I238 HydrophobicContact CB-CG2 3.67Å
83	I	98.8	Very high	98.6	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-43	175.7	-69.3	-65.5	0	0	0	111.8	M79 D80 S85 C86 K87 V178 L207 F247 H251 D253 I254	M79-I83 PolarHBondContact O-N 2.99Å; M79-I83 VanDerWaalsContact O-N 3.1Å; D80-I83 PolarHBondContact O-N 3.14Å; I83-S85 PolarHBondContact O-N 2.78Å; I83-C86 WeakPolarHBondContact O-CB 3.29Å; I83-C86 PolarHBondContact O-N 3.39Å; I83-C86 VanDerWaalsContact O-N 3.12Å; I83-K87 HydrophobicContact CG2-CD 4.02Å; I83-K87 HydrophobicContact CG2-CG 4.23Å; I83-K87 WeakPolarHBondContact O-CG 3.37Å; I83-K87 PolarHBondContact O-N 3.44Å; I83-V178 HydrophobicContact CD1-CG1 3.91Å; I83-L207 HydrophobicContact CD1-CB 4.23Å; I83-L207 HydrophobicContact CD1-CD2 3.54Å; I83-L207 HydrophobicContact CD1-CG 4.42Å; I83-L207 HydrophobicContact CG1-CD2 4.03Å; I83-F247 HydrophobicContact CB-CZ 4.46Å; I83-F247 HydrophobicContact CD1-CE1 4.4Å; I83-F247 HydrophobicContact CG1-CE1 3.58Å; I83-F247 HydrophobicContact CG1-CZ 3.66Å; I83-H251 WeakPolarHBondContact CG2-CE1 3.45Å; I83-D253 HydrophobicContact CG2-CB 4.03Å; I83-I254 HydrophobicContact CD1-CD1 3.85Å; I83-I254 HydrophobicContact CD1-CG1 3.69Å
84	A	98.8	Very high	98.7	Very high	34 Å²	34	42.4 Å²	42.4	28%	0.281	24%	0.237	S	C	.	.	H	α-helix	trans	-57.9	-35.6	175.3	0	0	0	0	0	111.4	D80 A81 R88	D80-A84 VanDerWaalsContact O-CB 3.31Å; D80-A84 WeakPolarHBondContact O-CB 3.31Å; D80-A84 PolarHBondContact O-N 2.89Å; A81-A84 PolarHBondContact O-N 2.65Å; A84-R88 WeakPolarHBondContact O-CG 3.38Å; A84-R88 PolarHBondContact O-N 3.49Å; A84-R88 PolarHBondContact O-NH1 3.3Å
85	S	98.9	Very high	98.6	Very high	7 Å²	7	48.3 Å²	48.3	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-47.4	173.5	-164	0	0	0	0	112.8	G45 A81 A82 I83 K87 R88 A89 G233 N236	G45-S85 VanDerWaalsContact CA-OG 3.23Å; G45-S85 WeakPolarHBondContact CA-OG 3.48Å; G45-S85 PolarHBondContact N-OG 3.45Å; A81-S85 WeakPolarHBondContact O-CB 3.12Å; A81-S85 PolarHBondContact O-N 2.6Å; A82-S85 WeakPolarHBondContact O-CB 3.46Å; A82-S85 PolarHBondContact O-N 2.78Å; I83-S85 PolarHBondContact O-N 2.78Å; S85-K87 VanDerWaalsContact C-N 3.33Å; S85-K87 PolarHBondContact O-N 3.22Å; S85-R88 PolarHBondContact O-N 3.11Å; S85-A89 PolarHBondContact O-N 2.88Å; S85-A89 VanDerWaalsContact O-N 3.15Å; S85-G233 WeakPolarHBondContact OG-CA 3.4Å; S85-N236 WeakPolarHBondContact CB-OD1 2.96Å; S85-N236 PolarHBondContact OG-OD1 2.85Å
86	C	98.8	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-53.6	-49.9	173.5	-69.7	0	0	0	0	111.3	A82 I83 R88 A89 F90 V178 T205 G233 N236	A82-C86 PolarHBondContact O-N 2.87Å; I83-C86 WeakPolarHBondContact O-CB 3.29Å; I83-C86 PolarHBondContact O-N 3.39Å; I83-C86 VanDerWaalsContact O-N 3.12Å; C86-R88 PolarHBondContact O-N 2.94Å; C86-A89 PolarHBondContact O-N 3.25Å; C86-F90 PolarHBondContact O-N 3.31Å; C86-V178 HydrophobicContact CB-CB 4.27Å; C86-V178 HydrophobicContact CB-CG1 3.62Å; C86-V178 HydrophobicContact CB-CG2 3.67Å; C86-T205 WeakPolarHBondContact CB-OG1 3.39Å; C86-T205 WeakPolarHBondContact O-CG2 3.3Å; C86-T205 PolarHBondContact O-OG1 3.21Å; C86-G233 WeakPolarHBondContact CA-O 3.28Å; C86-N236 PolarHBondContact SG-ND2 3.17Å
87	K	98.7	Very high	98.5	Very high	96 Å²	96	43.4 Å²	43.4	42%	0.417	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-43.4	-178.4	-69.3	177.3	76.7	169.4	0	113	I83 S85 A89 F90 P91 V178 D253	I83-K87 HydrophobicContact CG2-CD 4.02Å; I83-K87 HydrophobicContact CG2-CG 4.23Å; I83-K87 WeakPolarHBondContact O-CG 3.37Å; I83-K87 PolarHBondContact O-N 3.44Å; S85-K87 VanDerWaalsContact C-N 3.33Å; S85-K87 PolarHBondContact O-N 3.22Å; K87-A89 VanDerWaalsContact C-N 3.3Å; K87-A89 PolarHBondContact O-N 2.98Å; K87-F90 PolarHBondContact O-N 2.96Å; K87-P91 VanDerWaalsContact O-CD 3.23Å; K87-P91 WeakPolarHBondContact O-CD 3.41Å; K87-V178 HydrophobicContact CG-CG2 3.95Å; K87-D253 HydrophobicContact CD-CB 3.9Å; K87-D253 VanDerWaalsContact CD-CG 3.43Å; K87-D253 VanDerWaalsContact CD-OD2 3.23Å; K87-D253 WeakPolarHBondContact CD-OD2 3.43Å; K87-D253 WeakPolarHBondContact CE-OD1 3.46Å; K87-D253 WeakPolarHBondContact CE-OD2 3.38Å; K87-D253 HydrophobicContact CG-CB 4.29Å; K87-D253 IonicContact NZ-OD1 3.6Å; K87-D253 PolarHBondContact NZ-OD1 3.26Å; K87-D253 IonicContact NZ-OD2 3.5Å; K87-D253 PolarHBondContact NZ-OD2 3.07Å
88	R	98.8	Very high	98.4	Very high	175 Å²	175	42.1 Å²	42.1	66%	0.66	24%	0.237	S	C	*	.	H	α-helix	trans	-63.6	-37.6	178.8	-75.7	-171.5	-55	-92.8	-1.2	111.9	A84 S85 C86	A84-R88 WeakPolarHBondContact O-CG 3.38Å; A84-R88 PolarHBondContact O-N 3.49Å; A84-R88 PolarHBondContact O-NH1 3.3Å; S85-R88 PolarHBondContact O-N 3.11Å; C86-R88 PolarHBondContact O-N 2.94Å
89	A	98.7	Very high	98.3	Very high	15 Å²	15	46.3 Å²	46.3	12%	0.124	26%	0.259	C	S	.	.	H	α-helix	trans	-77.7	-26.9	-179.7	0	0	0	0	0	113.3	S85 C86 K87 W93 T205 T234	S85-A89 PolarHBondContact O-N 2.88Å; S85-A89 VanDerWaalsContact O-N 3.15Å; C86-A89 PolarHBondContact O-N 3.25Å; K87-A89 VanDerWaalsContact C-N 3.3Å; K87-A89 PolarHBondContact O-N 2.98Å; A89-W93 WeakPolarHBondContact O-CB 3.15Å; A89-W93 PolarHBondContact O-N 3.4Å; A89-W93 VanDerWaalsContact O-N 3.1Å; A89-T205 HydrophobicContact CB-CG2 4.12Å; A89-T234 HydrophobicContact CB-CG2 4.26Å
90	F	98.9	Very high	98.2	Very high	48 Å²	48	48.1 Å²	48.1	21%	0.211	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-51.1	-170.1	173.6	-110.1	0	0	0	115.2	C86 K87 A92 W93 A94 P175 G177 G203 T205	C86-F90 PolarHBondContact O-N 3.31Å; K87-F90 PolarHBondContact O-N 2.96Å; F90-A92 PolarHBondContact O-N 3.29Å; F90-W93 PolarHBondContact O-N 3.49Å; F90-W93 VanDerWaalsContact O-N 3.16Å; F90-A94 HydrophobicContact CD2-CB 4.32Å; F90-A94 HydrophobicContact CE2-CB 3.84Å; F90-A94 HydrophobicContact CZ-CB 3.99Å; F90-A94 WeakPolarHBondContact O-CB 3.24Å; F90-A94 PolarHBondContact O-N 3.15Å; F90-P175 HydrophobicContact CE2-CB 3.97Å; F90-P175 HydrophobicContact CE2-CG 4.07Å; F90-P175 HydrophobicContact CZ-CB 4.35Å; F90-P175 HydrophobicContact CZ-CG 4.17Å; F90-G177 VanDerWaalsContact CZ-CA 3.45Å; F90-G203 WeakPolarHBondContact CE2-O 3.34Å; F90-T205 HydrophobicContact CB-CG2 3.87Å; F90-T205 HydrophobicContact CD2-CG2 4.44Å
91	P	98.6	Very high	98.2	Very high	74 Å²	74	46.4 Å²	46.4	48%	0.481	26%	0.262	S	S	.	.	H	α-helix	trans	-57.5	-48.2	-176	-26.2	34.8	0	0	0	112.8	K87 W93 A94 D95	K87-P91 VanDerWaalsContact O-CD 3.23Å; K87-P91 WeakPolarHBondContact O-CD 3.41Å; P91-W93 VanDerWaalsContact C-N 3.34Å; P91-W93 PolarHBondContact O-N 3.39Å; P91-A94 PolarHBondContact O-N 2.99Å; P91-D95 PolarHBondContact O-N 3.05Å; P91-D95 VanDerWaalsContact O-N 3.14Å
92	A	98.2	Very high	98.2	Very high	37 Å²	37	45.8 Å²	45.8	31%	0.306	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-35.4	179.5	0	0	0	0	0	112.5	A6 F90 T96	A6-A92 HydrophobicContact CB-CB 3.97Å; F90-A92 PolarHBondContact O-N 3.29Å; A92-T96 PolarHBondContact O-N 3.45Å; A92-T96 VanDerWaalsContact O-N 3.13Å; A92-T96 PolarHBondContact O-OG1 3.16Å
93	W	98.4	Very high	98.2	Very high	5 Å²	5	50 Å²	50	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-73.2	-38.7	178.4	-177.4	-121.1	0	0	0	113.1	A89 F90 P91 D95 T96 R101 V104 M200 N204 P231 T234	A89-W93 WeakPolarHBondContact O-CB 3.15Å; A89-W93 PolarHBondContact O-N 3.4Å; A89-W93 VanDerWaalsContact O-N 3.1Å; F90-W93 PolarHBondContact O-N 3.49Å; F90-W93 VanDerWaalsContact O-N 3.16Å; P91-W93 VanDerWaalsContact C-N 3.34Å; P91-W93 PolarHBondContact O-N 3.39Å; W93-D95 VanDerWaalsContact C-N 3.31Å; W93-D95 PolarHBondContact O-N 3.22Å; W93-T96 HydrophobicContact CE3-CG2 4.14Å; W93-T96 HydrophobicContact CZ3-CG2 3.96Å; W93-T96 VanDerWaalsContact O-CB 3.32Å; W93-T96 WeakPolarHBondContact O-CB 3.23Å; W93-T96 PolarHBondContact O-N 3.41Å; W93-R101 HydrophobicContact CE3-CG 4.32Å; W93-R101 HydrophobicContact CH2-CB 3.79Å; W93-R101 HydrophobicContact CH2-CG 3.48Å; W93-R101 VanDerWaalsContact CH2-CG 3.48Å; W93-R101 HydrophobicContact CZ2-CB 3.97Å; W93-R101 HydrophobicContact CZ2-CG 3.65Å; W93-R101 HydrophobicContact CZ3-CG 3.82Å; W93-V104 HydrophobicContact CH2-CG2 4.35Å; W93-M200 WeakPolarHBondContact CZ2-O 3.27Å; W93-M200 PolarHBondContact NE1-O 2.89Å; W93-N204 PolarHBondContact NE1-O 3.14Å; W93-P231 HydrophobicContact CE3-CG 3.7Å; W93-P231 HydrophobicContact CZ3-CG 3.9Å; W93-T234 HydrophobicContact CB-CG2 3.93Å; W93-T234 HydrophobicContact CD2-CG2 3.93Å; W93-T234 HydrophobicContact CE3-CG2 4.44Å; W93-T234 HydrophobicContact CG-CG2 3.69Å
94	A	98.4	Very high	98.1	Very high	21 Å²	21	50 Å²	50	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-41.7	174.4	0	0	0	0	0	111.4	F90 P91 T96 R101 P175	F90-A94 HydrophobicContact CD2-CB 4.32Å; F90-A94 HydrophobicContact CE2-CB 3.84Å; F90-A94 HydrophobicContact CZ-CB 3.99Å; F90-A94 WeakPolarHBondContact O-CB 3.24Å; F90-A94 PolarHBondContact O-N 3.15Å; P91-A94 PolarHBondContact O-N 2.99Å; A94-T96 VanDerWaalsContact C-N 3.3Å; A94-T96 PolarHBondContact O-N 2.9Å; A94-R101 PolarHBondContact O-NH1 3.37Å; A94-P175 HydrophobicContact CB-CG 3.8Å
95	D	97.1	Very high	98.1	Very high	128 Å²	128	48.6 Å²	48.6	68%	0.684	26%	0.259	S	S	*	.	H	α-helix	trans	-77.1	-13	178.4	-71.4	-11.6	0	0	0	113.6	P91 W93 S97	P91-D95 PolarHBondContact O-N 3.05Å; P91-D95 VanDerWaalsContact O-N 3.14Å; W93-D95 VanDerWaalsContact C-N 3.31Å; W93-D95 PolarHBondContact O-N 3.22Å; D95-S97 PolarHBondContact O-N 2.98Å
96	T	97.6	Very high	98.1	Very high	17 Å²	17	51.1 Å²	51.1	10%	0.104	27%	0.272	C	S	.	.	S	Bend	trans	-65	128	174.7	-65.4	0	0	0	0	109.4	A92 W93 A94 R101	A92-T96 PolarHBondContact O-N 3.45Å; A92-T96 VanDerWaalsContact O-N 3.13Å; A92-T96 PolarHBondContact O-OG1 3.16Å; W93-T96 HydrophobicContact CE3-CG2 4.14Å; W93-T96 HydrophobicContact CZ3-CG2 3.96Å; W93-T96 VanDerWaalsContact O-CB 3.32Å; W93-T96 WeakPolarHBondContact O-CB 3.23Å; W93-T96 PolarHBondContact O-N 3.41Å; A94-T96 VanDerWaalsContact C-N 3.3Å; A94-T96 PolarHBondContact O-N 2.9Å; T96-R101 HydrophobicContact CG2-CG 3.91Å; T96-R101 PolarHBondContact O-NH1 3.38Å
97	S	97.2	Very high	98.1	Very high	63 Å²	63	53.1 Å²	53.1	44%	0.441	28%	0.28	S	S	.	.			trans	-56	146.1	-175.8	72.9	0	0	0	0	112.6	D95 L99 S100 R101	D95-S97 PolarHBondContact O-N 2.98Å; S97-L99 PolarHBondContact O-N 3.45Å; S97-L99 VanDerWaalsContact O-N 3.16Å; S97-S100 WeakPolarHBondContact O-CB 3.42Å; S97-S100 PolarHBondContact O-N 3Å; S97-S100 PolarHBondContact OG-N 3.3Å; S97-S100 PolarHBondContact OG-OG 3.39Å; S97-R101 PolarHBondContact O-N 3.06Å; S97-R101 VanDerWaalsContact O-N 3.08Å
98	V	96.4	Very high	98.1	Very high	45 Å²	45	48.6 Å²	48.6	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-54.6	-36.6	-179.8	65	0	0	0	0	112.6	R101 Q102 V151 T152 M155	V98-R101 PolarHBondContact O-N 3.31Å; V98-Q102 WeakPolarHBondContact O-CB 3.37Å; V98-Q102 PolarHBondContact O-N 2.94Å; V98-V151 HydrophobicContact CG2-CB 4.31Å; V98-V151 HydrophobicContact CG2-CG1 3.74Å; V98-V151 HydrophobicContact CG2-CG2 3.78Å; V98-T152 HydrophobicContact CG1-CG2 4.39Å; V98-T152 HydrophobicContact CG2-CG2 4.43Å; V98-M155 HydrophobicContact CG2-CG 4.42Å
99	L	96.9	Very high	98.1	Very high	103 Å²	103	41.8 Å²	41.8	54%	0.539	24%	0.236	S	C	.	.	H	α-helix	trans	-64.2	-40.8	175.1	-68.6	170.9	0	0	0	112.1	S97 Q102 Q103 T152	S97-L99 PolarHBondContact O-N 3.45Å; S97-L99 VanDerWaalsContact O-N 3.16Å; L99-Q102 WeakPolarHBondContact O-CB 3.31Å; L99-Q102 PolarHBondContact O-N 2.86Å; L99-Q103 WeakPolarHBondContact O-CG 3.38Å; L99-Q103 PolarHBondContact O-N 3.16Å; L99-T152 HydrophobicContact CD2-CG2 3.66Å
100	S	97.6	Very high	98.1	Very high	46 Å²	46	45.3 Å²	45.3	32%	0.322	25%	0.25	S	C	.	.	H	α-helix	trans	-67.3	-39.2	177.8	-56.8	0	0	0	0	111.3	S97 Q103 V104	S97-S100 WeakPolarHBondContact O-CB 3.42Å; S97-S100 PolarHBondContact O-N 3Å; S97-S100 PolarHBondContact OG-N 3.3Å; S97-S100 PolarHBondContact OG-OG 3.39Å; S100-Q103 PolarHBondContact O-N 3.48Å; S100-V104 PolarHBondContact O-N 3.27Å
101	R	98.3	Very high	98.1	Very high	15 Å²	15	43.4 Å²	43.4	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-40.5	174.3	-56.4	-162.3	-63.2	-103.6	4.1	111.9	W93 A94 T96 S97 V98 Q103 V104 L105 V201	W93-R101 HydrophobicContact CE3-CG 4.32Å; W93-R101 HydrophobicContact CH2-CB 3.79Å; W93-R101 HydrophobicContact CH2-CG 3.48Å; W93-R101 VanDerWaalsContact CH2-CG 3.48Å; W93-R101 HydrophobicContact CZ2-CB 3.97Å; W93-R101 HydrophobicContact CZ2-CG 3.65Å; W93-R101 HydrophobicContact CZ3-CG 3.82Å; A94-R101 PolarHBondContact O-NH1 3.37Å; T96-R101 HydrophobicContact CG2-CG 3.91Å; T96-R101 PolarHBondContact O-NH1 3.38Å; S97-R101 PolarHBondContact O-N 3.06Å; S97-R101 VanDerWaalsContact O-N 3.08Å; V98-R101 PolarHBondContact O-N 3.31Å; R101-Q103 PolarHBondContact O-N 3.28Å; R101-V104 WeakPolarHBondContact O-CB 3.44Å; R101-V104 PolarHBondContact O-N 3.27Å; R101-L105 PolarHBondContact O-N 3.11Å; R101-V201 PolarHBondContact NE-O 3.02Å; R101-V201 PolarHBondContact NH2-O 3.15Å
102	Q	98.3	Very high	98.1	Very high	31 Å²	31	39.9 Å²	39.9	15%	0.145	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-44.7	173.5	-178	-169.3	46.5	0	0	111.9	V98 L99 V104 L105 L106 C149 V151	V98-Q102 WeakPolarHBondContact O-CB 3.37Å; V98-Q102 PolarHBondContact O-N 2.94Å; L99-Q102 WeakPolarHBondContact O-CB 3.31Å; L99-Q102 PolarHBondContact O-N 2.86Å; Q102-V104 VanDerWaalsContact C-N 3.28Å; Q102-V104 PolarHBondContact O-N 3.49Å; Q102-L105 PolarHBondContact O-N 3.1Å; Q102-L106 HydrophobicContact CG-CD1 4.11Å; Q102-L106 HydrophobicContact CG-CG 4.44Å; Q102-L106 PolarHBondContact O-N 3.05Å; Q102-C149 WeakPolarHBondContact CG-O 3.19Å; Q102-C149 PolarHBondContact NE2-O 3.34Å; Q102-V151 HydrophobicContact CB-CG1 3.86Å; Q102-V151 HydrophobicContact CG-CG1 4.3Å
103	Q	98.2	Very high	98.1	Very high	89 Å²	89	42.3 Å²	42.3	42%	0.416	22%	0.223	S	C	.	.	H	α-helix	trans	-61.9	-34.6	179.4	-70.3	-59.8	-42.7	0	0	113	L99 S100 R101 R107	L99-Q103 WeakPolarHBondContact O-CG 3.38Å; L99-Q103 PolarHBondContact O-N 3.16Å; S100-Q103 PolarHBondContact O-N 3.48Å; R101-Q103 PolarHBondContact O-N 3.28Å; Q103-R107 VanDerWaalsContact O-CZ 3.27Å; Q103-R107 PolarHBondContact O-N 2.6Å; Q103-R107 PolarHBondContact O-NH1 2.79Å
104	V	98.2	Very high	98.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-45.9	171.9	175.1	0	0	0	0	110.7	W93 S100 R101 Q102 R107 Y108 S228 A230	W93-V104 HydrophobicContact CH2-CG2 4.35Å; S100-V104 PolarHBondContact O-N 3.27Å; R101-V104 WeakPolarHBondContact O-CB 3.44Å; R101-V104 PolarHBondContact O-N 3.27Å; Q102-V104 VanDerWaalsContact C-N 3.28Å; Q102-V104 PolarHBondContact O-N 3.49Å; V104-R107 PolarHBondContact O-N 2.94Å; V104-Y108 WeakPolarHBondContact O-CB 3.44Å; V104-Y108 PolarHBondContact O-N 2.96Å; V104-S228 WeakPolarHBondContact CG1-OG 3.5Å; V104-S228 WeakPolarHBondContact O-CB 3.5Å; V104-S228 PolarHBondContact O-OG 3.19Å; V104-A230 HydrophobicContact CG1-CB 3.95Å
105	L	98.3	Very high	98.1	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-71.7	-32.1	179.8	-70.3	-157.4	0	0	0	114.2	R101 Q102 Y108 Q109 V145 A148 P197 V201	R101-L105 PolarHBondContact O-N 3.11Å; Q102-L105 PolarHBondContact O-N 3.1Å; L105-Y108 HydrophobicContact CD2-CD1 4.06Å; L105-Y108 PolarHBondContact O-N 3.03Å; L105-Q109 WeakPolarHBondContact O-CB 3.33Å; L105-Q109 PolarHBondContact O-N 3.3Å; L105-V145 HydrophobicContact CB-CG1 4.49Å; L105-A148 HydrophobicContact CD1-CB 3.45Å; L105-A148 VanDerWaalsContact CD1-CB 3.45Å; L105-P197 HydrophobicContact CD1-CB 4.34Å; L105-V201 HydrophobicContact CD1-CB 3.6Å; L105-V201 HydrophobicContact CD1-CG1 4.39Å; L105-V201 HydrophobicContact CD1-CG2 3.65Å; L105-V201 HydrophobicContact CG-CB 4.39Å; L105-V201 HydrophobicContact CG-CG2 4.15Å
106	L	98.6	Very high	98.1	Very high	61 Å²	61	41.4 Å²	41.4	32%	0.319	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-44	173.2	-75.5	168	0	0	0	111.5	Q102 Q110 C149	Q102-L106 HydrophobicContact CG-CD1 4.11Å; Q102-L106 HydrophobicContact CG-CG 4.44Å; Q102-L106 PolarHBondContact O-N 3.05Å; L106-Q110 PolarHBondContact O-N 3.03Å; L106-C149 HydrophobicContact CD2-CB 3.86Å; L106-C149 HydrophobicContact CG-CB 4.23Å
107	R	98.5	Very high	98.1	Very high	42 Å²	42	47.5 Å²	47.5	16%	0.158	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-41.3	172.9	-71.1	-173.4	-61.1	-81.5	-4.9	111.8	Q103 V104 Q109 Q110 L111 S228	Q103-R107 VanDerWaalsContact O-CZ 3.27Å; Q103-R107 PolarHBondContact O-N 2.6Å; Q103-R107 PolarHBondContact O-NH1 2.79Å; V104-R107 PolarHBondContact O-N 2.94Å; R107-Q109 PolarHBondContact O-N 3.19Å; R107-Q110 PolarHBondContact O-N 2.78Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 3.37Å; R107-S228 VanDerWaalsContact CZ-O 3.26Å; R107-S228 PolarHBondContact NE-O 3.34Å; R107-S228 PolarHBondContact NH2-O 2.97Å
108	Y	98.8	Very high	98.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-43.4	179.6	-176.9	-129.3	0	0	0	112.5	V104 L105 Q110 L111 I112 V145 L193 F196 P197 L221 L224 L225	V104-Y108 WeakPolarHBondContact O-CB 3.44Å; V104-Y108 PolarHBondContact O-N 2.96Å; L105-Y108 HydrophobicContact CD2-CD1 4.06Å; L105-Y108 PolarHBondContact O-N 3.03Å; Y108-Q110 VanDerWaalsContact C-N 3.32Å; Y108-Q110 PolarHBondContact O-N 3.5Å; Y108-L111 PolarHBondContact O-N 3.21Å; Y108-I112 HydrophobicContact CD1-CD1 3.9Å; Y108-I112 HydrophobicContact CD2-CD1 4.28Å; Y108-I112 HydrophobicContact CD2-CG1 4.36Å; Y108-I112 HydrophobicContact CE1-CD1 3.51Å; Y108-I112 HydrophobicContact CE1-CG1 4.46Å; Y108-I112 HydrophobicContact CE2-CD1 3.91Å; Y108-I112 HydrophobicContact CE2-CG1 3.98Å; Y108-I112 HydrophobicContact CG-CD1 4.26Å; Y108-I112 WeakPolarHBondContact O-CG1 3.47Å; Y108-I112 PolarHBondContact O-N 3.17Å; Y108-V145 HydrophobicContact CD1-CG1 3.72Å; Y108-V145 HydrophobicContact CD1-CG2 4.24Å; Y108-V145 HydrophobicContact CE1-CG1 4.34Å; Y108-V145 HydrophobicContact CE1-CG2 4.03Å; Y108-L193 HydrophobicContact CE1-CD2 3.85Å; Y108-L193 VanDerWaalsContact OH-CD2 3.32Å; Y108-L193 WeakPolarHBondContact OH-CD2 3.32Å; Y108-F196 HydrophobicContact CE1-CE2 4.05Å; Y108-F196 HydrophobicContact CE1-CZ 4.33Å; Y108-F196 VanDerWaalsContact OH-CZ 3.31Å; Y108-F196 WeakPolarHBondContact OH-CZ 3.11Å; Y108-P197 HydrophobicContact CE1-CG 4.36Å; Y108-L221 WeakPolarHBondContact CE2-O 3.47Å; Y108-L221 WeakPolarHBondContact OH-CB 3.23Å; Y108-L221 PolarHBondContact OH-O 3.42Å; Y108-L224 HydrophobicContact CD2-CB 4.22Å; Y108-L224 HydrophobicContact CE2-CB 3.84Å; Y108-L225 HydrophobicContact CD1-CD1 4.04Å; Y108-L225 HydrophobicContact CD2-CB 4.04Å; Y108-L225 HydrophobicContact CD2-CD1 4.08Å; Y108-L225 HydrophobicContact CE1-CD1 4.26Å; Y108-L225 HydrophobicContact CE2-CB 3.74Å; Y108-L225 HydrophobicContact CE2-CD1 4.3Å; Y108-L225 HydrophobicContact CG-CD1 3.95Å
109	Q	98.5	Very high	98.2	Very high	33 Å²	33	46.3 Å²	46.3	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-53.7	-49.6	172	174.5	-139.8	8.5	0	0	111.1	L105 R107 L111 I112 K113 L142 V145 E146	L105-Q109 WeakPolarHBondContact O-CB 3.33Å; L105-Q109 PolarHBondContact O-N 3.3Å; R107-Q109 PolarHBondContact O-N 3.19Å; Q109-L111 PolarHBondContact O-N 2.96Å; Q109-I112 PolarHBondContact O-N 3.25Å; Q109-K113 HydrophobicContact CG-CD 4.49Å; Q109-K113 WeakPolarHBondContact O-CG 3.24Å; Q109-K113 PolarHBondContact O-N 3.37Å; Q109-L142 HydrophobicContact CB-CD1 4.19Å; Q109-L142 HydrophobicContact CG-CD1 3.54Å; Q109-L142 WeakPolarHBondContact O-CD1 3.39Å; Q109-V145 HydrophobicContact CB-CG1 4.06Å; Q109-E146 HydrophobicContact CG-CG 3.64Å; Q109-E146 PolarHBondContact NE2-OE1 3.07Å
110	Q	98.6	Very high	98.3	Very high	89 Å²	89	41.4 Å²	41.4	42%	0.416	20%	0.196	S	C	.	.	H	α-helix	trans	-61.8	-43.8	179.8	-175.9	59	28.4	0	0	111.7	L106 R107 Y108 I112 K113 E114	L106-Q110 PolarHBondContact O-N 3.03Å; R107-Q110 PolarHBondContact O-N 2.78Å; Y108-Q110 VanDerWaalsContact C-N 3.32Å; Y108-Q110 PolarHBondContact O-N 3.5Å; Q110-I112 VanDerWaalsContact C-N 3.35Å; Q110-I112 PolarHBondContact O-N 2.77Å; Q110-K113 WeakPolarHBondContact O-CB 3.32Å; Q110-K113 PolarHBondContact O-N 3.02Å; Q110-K113 VanDerWaalsContact O-N 3.15Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.26Å; Q110-E114 PolarHBondContact NE2-OE1 2.81Å; Q110-E114 WeakPolarHBondContact O-CG 3.37Å; Q110-E114 PolarHBondContact O-N 3.1Å
111	L	98.6	Very high	98.4	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-39.1	177.5	-72.2	171	0	0	0	112.5	R107 Y108 Q109 E114 N115 L224 D227	R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 3.37Å; Y108-L111 PolarHBondContact O-N 3.21Å; Q109-L111 PolarHBondContact O-N 2.96Å; L111-E114 PolarHBondContact O-N 2.88Å; L111-N115 WeakPolarHBondContact O-CB 3.17Å; L111-N115 PolarHBondContact O-N 2.82Å; L111-N115 VanDerWaalsContact O-N 3.1Å; L111-N115 PolarHBondContact O-ND2 3.42Å; L111-L224 HydrophobicContact CB-CB 4.3Å; L111-L224 HydrophobicContact CB-CD2 4.3Å; L111-L224 VanDerWaalsContact CD1-O 3.3Å; L111-L224 WeakPolarHBondContact CD1-O 3.35Å; L111-D227 HydrophobicContact CD1-CB 3.97Å
112	I	98.7	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-45.1	173.2	-67.7	163	0	0	0	110.4	Y108 Q109 Q110 E114 N115 L116 I119 V138 L142 V145 L193 L221 L224	Y108-I112 HydrophobicContact CD1-CD1 3.9Å; Y108-I112 HydrophobicContact CD2-CD1 4.28Å; Y108-I112 HydrophobicContact CD2-CG1 4.36Å; Y108-I112 HydrophobicContact CE1-CD1 3.51Å; Y108-I112 HydrophobicContact CE1-CG1 4.46Å; Y108-I112 HydrophobicContact CE2-CD1 3.91Å; Y108-I112 HydrophobicContact CE2-CG1 3.98Å; Y108-I112 HydrophobicContact CG-CD1 4.26Å; Y108-I112 WeakPolarHBondContact O-CG1 3.47Å; Y108-I112 PolarHBondContact O-N 3.17Å; Q109-I112 PolarHBondContact O-N 3.25Å; Q110-I112 VanDerWaalsContact C-N 3.35Å; Q110-I112 PolarHBondContact O-N 2.77Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-E114 PolarHBondContact O-N 2.96Å; I112-N115 CarbonylContact O-C 3.38Å; I112-N115 PolarHBondContact O-N 3.1Å; I112-L116 WeakPolarHBondContact O-CA 3.47Å; I112-L116 PolarHBondContact O-N 3.33Å; I112-I119 HydrophobicContact CG2-CD1 4.17Å; I112-V138 HydrophobicContact CG2-CG1 3.81Å; I112-L142 HydrophobicContact CB-CD1 4.09Å; I112-L142 HydrophobicContact CG2-CB 4.04Å; I112-L142 HydrophobicContact CG2-CD1 4.03Å; I112-L142 HydrophobicContact CG2-CG 4.43Å; I112-V145 HydrophobicContact CD1-CG2 3.96Å; I112-L193 HydrophobicContact CD1-CD1 4.28Å; I112-L193 HydrophobicContact CD1-CD2 4.1Å; I112-L221 HydrophobicContact CD1-CD2 4.23Å; I112-L221 HydrophobicContact CG1-CD2 3.92Å; I112-L224 HydrophobicContact CG1-CD1 4.4Å
113	K	98.3	Very high	98.4	Very high	88 Å²	88	43 Å²	43	38%	0.383	20%	0.197	S	C	.	.	H	α-helix	trans	-57.2	-46.6	177.7	-76.3	177.1	173.8	-178.5	0	111.9	Q109 Q110 N115 L116 L142 E146	Q109-K113 HydrophobicContact CG-CD 4.49Å; Q109-K113 WeakPolarHBondContact O-CG 3.24Å; Q109-K113 PolarHBondContact O-N 3.37Å; Q110-K113 WeakPolarHBondContact O-CB 3.32Å; Q110-K113 PolarHBondContact O-N 3.02Å; Q110-K113 VanDerWaalsContact O-N 3.15Å; K113-N115 VanDerWaalsContact C-N 3.28Å; K113-N115 PolarHBondContact O-N 3.4Å; K113-L116 PolarHBondContact O-N 3.48Å; K113-L142 HydrophobicContact CD-CD2 4.25Å; K113-L142 HydrophobicContact CG-CD1 4.08Å; K113-L142 HydrophobicContact CG-CD2 3.39Å; K113-L142 HydrophobicContact CG-CG 4.35Å; K113-E146 WeakPolarHBondContact CE-OE1 3.38Å; K113-E146 IonicContact NZ-OE1 3.45Å; K113-E146 PolarHBondContact NZ-OE1 3.23Å
114	E	98.1	Very high	98.4	Very high	90 Å²	90	39.1 Å²	39.1	42%	0.421	18%	0.18	S	C	.	.	H	α-helix	trans	-67.6	-28.4	-178.7	-71.6	171.2	178.9	0	0	113	Q110 L111 I112	Q110-E114 WeakPolarHBondContact CG-OE1 3.26Å; Q110-E114 PolarHBondContact NE2-OE1 2.81Å; Q110-E114 WeakPolarHBondContact O-CG 3.37Å; Q110-E114 PolarHBondContact O-N 3.1Å; L111-E114 PolarHBondContact O-N 2.88Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-E114 PolarHBondContact O-N 2.96Å
115	N	98.3	Very high	98.4	Very high	16 Å²	16	42.5 Å²	42.5	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-108.4	11.3	-177.2	-65.5	-90.7	0	0	0	113.2	L111 I112 K113 K117 E118 I119 L224	L111-N115 WeakPolarHBondContact O-CB 3.17Å; L111-N115 PolarHBondContact O-N 2.82Å; L111-N115 VanDerWaalsContact O-N 3.1Å; L111-N115 PolarHBondContact O-ND2 3.42Å; I112-N115 CarbonylContact O-C 3.38Å; I112-N115 PolarHBondContact O-N 3.1Å; K113-N115 VanDerWaalsContact C-N 3.28Å; K113-N115 PolarHBondContact O-N 3.4Å; N115-K117 VanDerWaalsContact C-N 3.3Å; N115-K117 PolarHBondContact O-N 3.32Å; N115-E118 PolarHBondContact O-N 3.45Å; N115-I119 WeakPolarHBondContact O-CG1 3.44Å; N115-I119 PolarHBondContact O-N 3.14Å; N115-L224 HydrophobicContact CB-CD1 3.98Å; N115-L224 HydrophobicContact CB-CD2 4.34Å
116	L	98.4	Very high	98.4	Very high	29 Å²	29	42.3 Å²	42.3	15%	0.152	20%	0.197	C	C	.	.	H	α-helix	trans	-53.2	-46.4	-173.1	-179.3	150.4	0	0	0	112.3	I112 K113 E118 I119 A120 E135 V138 F139	I112-L116 WeakPolarHBondContact O-CA 3.47Å; I112-L116 PolarHBondContact O-N 3.33Å; K113-L116 PolarHBondContact O-N 3.48Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 3.06Å; L116-I119 PolarHBondContact O-N 3.45Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 2.9Å; L116-E135 HydrophobicContact CD2-CB 3.84Å; L116-E135 HydrophobicContact CD2-CG 3.62Å; L116-V138 HydrophobicContact CB-CG1 4.33Å; L116-V138 HydrophobicContact CD1-CG1 4.22Å; L116-V138 HydrophobicContact CG-CB 4.1Å; L116-V138 HydrophobicContact CG-CG1 3.84Å; L116-F139 HydrophobicContact CD1-CB 4.42Å
117	K	97.7	Very high	98.4	Very high	145 Å²	145	39.4 Å²	39.4	63%	0.63	18%	0.182	S	C	*	.	H	α-helix	trans	-65.4	-34.4	179.8	-64.9	-169.3	173.5	-175.2	0	112.8	N115 A120 K121	N115-K117 VanDerWaalsContact C-N 3.3Å; N115-K117 PolarHBondContact O-N 3.32Å; K117-A120 PolarHBondContact O-N 3.18Å; K117-K121 WeakPolarHBondContact O-CG 3.35Å; K117-K121 PolarHBondContact O-N 2.9Å
118	E	97.7	Very high	98.4	Very high	82 Å²	82	37.5 Å²	37.5	38%	0.383	18%	0.175	S	C	.	.	H	α-helix	trans	-73.8	-39.4	179.9	-166.9	58.2	-156.7	0	0	111.1	N115 L116 A120 K121 L122 L220	N115-E118 PolarHBondContact O-N 3.45Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 3.06Å; E118-A120 VanDerWaalsContact C-N 3.34Å; E118-K121 PolarHBondContact O-N 3.11Å; E118-K121 IonicContact OE2-NZ 2.67Å; E118-K121 PolarHBondContact OE2-NZ 2.88Å; E118-L122 PolarHBondContact O-N 3.08Å; E118-L220 HydrophobicContact CB-CD2 4.39Å; E118-L220 HydrophobicContact CG-CD2 4.19Å
119	I	98.6	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-47.7	170.8	-56	160.1	0	0	0	109.3	I112 N115 L116 K121 L122 I123 V138 A189 A217 L220 L221 L224	I112-I119 HydrophobicContact CG2-CD1 4.17Å; N115-I119 WeakPolarHBondContact O-CG1 3.44Å; N115-I119 PolarHBondContact O-N 3.14Å; L116-I119 PolarHBondContact O-N 3.45Å; I119-K121 VanDerWaalsContact C-N 3.32Å; I119-K121 PolarHBondContact O-N 3.27Å; I119-L122 WeakPolarHBondContact O-CB 3.31Å; I119-L122 PolarHBondContact O-N 3.05Å; I119-L122 VanDerWaalsContact O-N 3.1Å; I119-I123 HydrophobicContact CG2-CD1 4.26Å; I119-I123 WeakPolarHBondContact O-CG1 3.23Å; I119-I123 PolarHBondContact O-N 2.81Å; I119-I123 VanDerWaalsContact O-N 3.14Å; I119-V138 HydrophobicContact CB-CG1 4.4Å; I119-V138 HydrophobicContact CB-CG2 3.8Å; I119-V138 HydrophobicContact CD1-CG1 3.96Å; I119-V138 HydrophobicContact CG2-CG1 4.44Å; I119-V138 HydrophobicContact CG2-CG2 3.46Å; I119-V138 VanDerWaalsContact CG2-CG2 3.46Å; I119-A189 HydrophobicContact CG2-CB 4.15Å; I119-A217 HydrophobicContact CG2-CB 3.98Å; I119-L220 HydrophobicContact CB-CD2 4.25Å; I119-L220 HydrophobicContact CG1-CD2 3.47Å; I119-L220 VanDerWaalsContact CG1-CD2 3.47Å; I119-L220 HydrophobicContact CG1-CG 3.92Å; I119-L221 HydrophobicContact CD1-CD2 3.84Å; I119-L224 HydrophobicContact CD1-CD1 3.96Å
120	A	98.6	Very high	98.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-40.8	-179.1	0	0	0	0	0	113	L116 K117 E118 L122 I123 T124 A134 E135	L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 2.9Å; K117-A120 PolarHBondContact O-N 3.18Å; E118-A120 VanDerWaalsContact C-N 3.34Å; A120-L122 VanDerWaalsContact C-N 3.35Å; A120-L122 PolarHBondContact O-N 3.44Å; A120-I123 WeakPolarHBondContact O-CB 3.49Å; A120-I123 PolarHBondContact O-N 3.45Å; A120-T124 PolarHBondContact O-N 2.9Å; A120-T124 PolarHBondContact O-OG1 3.01Å; A120-A134 HydrophobicContact CB-CB 3.8Å; A120-A134 WeakPolarHBondContact O-CB 3.39Å; A120-E135 HydrophobicContact CB-CG 3.8Å
121	K	98.2	Very high	98.3	Very high	113 Å²	113	35.4 Å²	35.4	49%	0.491	17%	0.168	S	C	.	.	H	α-helix	trans	-58.9	-42.8	174.9	-72.3	171.6	-166.7	166.2	0	112.8	K117 E118 I119 I123 T124 L125 L131	K117-K121 WeakPolarHBondContact O-CG 3.35Å; K117-K121 PolarHBondContact O-N 2.9Å; E118-K121 PolarHBondContact O-N 3.11Å; E118-K121 IonicContact OE2-NZ 2.67Å; E118-K121 PolarHBondContact OE2-NZ 2.88Å; I119-K121 VanDerWaalsContact C-N 3.32Å; I119-K121 PolarHBondContact O-N 3.27Å; K121-I123 VanDerWaalsContact C-N 3.3Å; K121-I123 PolarHBondContact O-N 2.8Å; K121-T124 PolarHBondContact O-N 3.24Å; K121-L125 VanDerWaalsContact O-CB 3.28Å; K121-L125 WeakPolarHBondContact O-CB 3.23Å; K121-L125 PolarHBondContact O-N 2.97Å; K121-L131 HydrophobicContact CG-CD2 4.22Å
122	L	98.1	Very high	98.3	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-40.7	176.9	-66.6	169.3	0	0	0	111.1	W27 E118 I119 A120 L125 E126 L220	W27-L122 HydrophobicContact CZ2-CD1 3.91Å; E118-L122 PolarHBondContact O-N 3.08Å; I119-L122 WeakPolarHBondContact O-CB 3.31Å; I119-L122 PolarHBondContact O-N 3.05Å; I119-L122 VanDerWaalsContact O-N 3.1Å; A120-L122 VanDerWaalsContact C-N 3.35Å; A120-L122 PolarHBondContact O-N 3.44Å; L122-L125 PolarHBondContact O-N 3.21Å; L122-E126 WeakPolarHBondContact O-CB 3.47Å; L122-E126 WeakPolarHBondContact O-CG 3.33Å; L122-E126 PolarHBondContact O-N 3.31Å; L122-L220 HydrophobicContact CD1-CB 3.96Å; L122-L220 HydrophobicContact CD1-CD2 3.78Å
123	I	98.8	Very high	98.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-49.2	175.7	-55.9	178.3	0	0	0	110.2	I119 A120 K121 L125 E126 Q127 K129 A134 D137 V138 P188 A189 A217	I119-I123 HydrophobicContact CG2-CD1 4.26Å; I119-I123 WeakPolarHBondContact O-CG1 3.23Å; I119-I123 PolarHBondContact O-N 2.81Å; I119-I123 VanDerWaalsContact O-N 3.14Å; A120-I123 WeakPolarHBondContact O-CB 3.49Å; A120-I123 PolarHBondContact O-N 3.45Å; K121-I123 VanDerWaalsContact C-N 3.3Å; K121-I123 PolarHBondContact O-N 2.8Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 2.81Å; I123-E126 PolarHBondContact O-N 3.4Å; I123-Q127 HydrophobicContact CG2-CB 4.18Å; I123-Q127 WeakPolarHBondContact O-CA 3.47Å; I123-Q127 WeakPolarHBondContact O-CB 3.41Å; I123-Q127 PolarHBondContact O-N 3.47Å; I123-K129 HydrophobicContact CG2-CD 3.66Å; I123-K129 HydrophobicContact CG2-CG 3.99Å; I123-A134 HydrophobicContact CB-CB 3.91Å; I123-A134 HydrophobicContact CG2-CB 4.01Å; I123-D137 HydrophobicContact CD1-CB 4.05Å; I123-V138 HydrophobicContact CD1-CG2 3.66Å; I123-P188 HydrophobicContact CB-CG 4.36Å; I123-P188 HydrophobicContact CD1-CG 4.44Å; I123-P188 HydrophobicContact CG1-CG 3.95Å; I123-P188 HydrophobicContact CG2-CG 3.9Å; I123-A189 HydrophobicContact CD1-CB 3.74Å; I123-A217 HydrophobicContact CD1-CB 4.31Å; I123-A217 HydrophobicContact CG1-CB 3.65Å
124	T	98.6	Very high	98.2	Very high	8 Å²	8	36 Å²	36	5%	0.049	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-42.6	178.5	-69.7	0	0	0	0	111.9	A120 K121 G128 K129 L131 G348 D349	A120-T124 PolarHBondContact O-N 2.9Å; A120-T124 PolarHBondContact O-OG1 3.01Å; K121-T124 PolarHBondContact O-N 3.24Å; T124-G128 WeakPolarHBondContact O-CA 3.35Å; T124-G128 PolarHBondContact O-N 3.39Å; T124-K129 WeakPolarHBondContact CB-O 3.08Å; T124-K129 VanDerWaalsContact CG2-O 3.29Å; T124-K129 WeakPolarHBondContact CG2-O 3.24Å; T124-K129 PolarHBondContact OG1-O 3.42Å; T124-L131 HydrophobicContact CG2-CD2 4.43Å; T124-L131 HydrophobicContact CG2-CG 4.49Å; T124-G348 VanDerWaalsContact CG2-C 3.49Å; T124-D349 HydrophobicContact CG2-CB 4.01Å
125	L	98.1	Very high	98.2	Very high	73 Å²	73	35.2 Å²	35.2	38%	0.382	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-45.4	-179.6	177.7	63.4	0	0	0	112.7	I68 K121 L122 I123	I68-L125 HydrophobicContact CD1-CD1 4.09Å; I68-L125 HydrophobicContact CD1-CD2 4.2Å; I68-L125 HydrophobicContact CD1-CG 3.68Å; K121-L125 VanDerWaalsContact O-CB 3.28Å; K121-L125 WeakPolarHBondContact O-CB 3.23Å; K121-L125 PolarHBondContact O-N 2.97Å; L122-L125 PolarHBondContact O-N 3.21Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 2.81Å
126	E	98.4	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-91.9	-33.9	-173.8	-61.4	174.1	174.9	0	0	112.7	Y28 I59 I68 L122 I123 V214 P215 G216	Y28-E126 PolarHBondContact OH-OE1 2.92Å; I59-E126 HydrophobicContact CG2-CB 4.46Å; I59-E126 HydrophobicContact CG2-CG 4.15Å; I68-E126 HydrophobicContact CD1-CG 3.97Å; L122-E126 WeakPolarHBondContact O-CB 3.47Å; L122-E126 WeakPolarHBondContact O-CG 3.33Å; L122-E126 PolarHBondContact O-N 3.31Å; I123-E126 PolarHBondContact O-N 3.4Å; E126-V214 HydrophobicContact CB-CB 4.21Å; E126-V214 HydrophobicContact CB-CG1 3.89Å; E126-V214 WeakPolarHBondContact OE2-CA 3.5Å; E126-P215 WeakPolarHBondContact OE2-CD 3.08Å; E126-G216 VanDerWaalsContact OE1-CA 3.31Å; E126-G216 WeakPolarHBondContact OE1-CA 3.34Å; E126-G216 PolarHBondContact OE1-N 3.21Å; E126-G216 WeakPolarHBondContact OE2-CA 3.46Å; E126-G216 PolarHBondContact OE2-N 3.17Å
127	Q	98.5	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-99.4	-31.8	-175.4	-163.1	-79.7	-34.2	0	0	113.2	P62 I123 K129 F185 V214 I359	P62-Q127 WeakPolarHBondContact CG-O 3.34Å; I123-Q127 HydrophobicContact CG2-CB 4.18Å; I123-Q127 WeakPolarHBondContact O-CA 3.47Å; I123-Q127 WeakPolarHBondContact O-CB 3.41Å; I123-Q127 PolarHBondContact O-N 3.47Å; Q127-K129 VanDerWaalsContact OE1-CG 3.26Å; Q127-F185 HydrophobicContact CG-CD2 4.35Å; Q127-F185 WeakPolarHBondContact CG-O 3.4Å; Q127-V214 HydrophobicContact CB-CG1 3.69Å; Q127-V214 HydrophobicContact CG-CG1 4.13Å; Q127-I359 HydrophobicContact CG-CD1 4.35Å
128	G	98.2	Very high	98.3	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	16%	0.156	C	C	.	.			trans	97.6	-16.2	176.2	0	0	0	0	0	116.4	T124 P357	T124-G128 WeakPolarHBondContact O-CA 3.35Å; T124-G128 PolarHBondContact O-N 3.39Å; G128-P357 WeakPolarHBondContact O-CD 3.4Å
129	K	98.6	Very high	98.3	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	16%	0.158	C	C	.	.			trans	-58.3	157.4	177.5	67.2	-176.6	71.4	176.9	0	112.1	I123 T124 Q127 D133 A134 D137 N186 A312	I123-K129 HydrophobicContact CG2-CD 3.66Å; I123-K129 HydrophobicContact CG2-CG 3.99Å; T124-K129 WeakPolarHBondContact CB-O 3.08Å; T124-K129 VanDerWaalsContact CG2-O 3.29Å; T124-K129 WeakPolarHBondContact CG2-O 3.24Å; T124-K129 PolarHBondContact OG1-O 3.42Å; Q127-K129 VanDerWaalsContact OE1-CG 3.26Å; K129-D133 HydrophobicContact CB-CB 4.04Å; K129-D133 HydrophobicContact CD-CB 4.01Å; K129-D133 HydrophobicContact CG-CB 4.2Å; K129-A134 HydrophobicContact CD-CB 4.04Å; K129-A134 HydrophobicContact CG-CB 4.03Å; K129-D137 IonicContact NZ-OD2 2.69Å; K129-D137 PolarHBondContact NZ-OD2 3.22Å; K129-N186 WeakPolarHBondContact CE-O 3.4Å; K129-N186 PolarHBondContact NZ-O 3.29Å; K129-A312 HydrophobicContact CB-CB 4.18Å
130	T	98.5	Very high	98.3	Very high	10 Å²	10	31.5 Å²	31.5	6%	0.061	17%	0.17	C	C	.	.			trans	-58.8	152.6	177.8	71.3	0	0	0	0	110.9	A132 D133 A134 G348 A353	T130-A132 PolarHBondContact O-N 2.98Å; T130-D133 PolarHBondContact O-N 2.98Å; T130-D133 VanDerWaalsContact O-N 3.11Å; T130-D133 WeakPolarHBondContact OG1-CB 3.46Å; T130-D133 PolarHBondContact OG1-N 3.04Å; T130-A134 PolarHBondContact O-N 3.35Å; T130-G348 VanDerWaalsContact CA-O 3.31Å; T130-G348 WeakPolarHBondContact CA-O 3.31Å; T130-A353 HydrophobicContact CG2-CB 4.23Å; T130-A353 WeakPolarHBondContact CG2-O 3.47Å
131	L	97.7	Very high	98.3	Very high	66 Å²	66	31.5 Å²	31.5	35%	0.346	17%	0.169	S	C	.	.	H	α-helix	trans	-55.5	-39.9	176.3	-77.4	170	0	0	0	112	K121 T124 D133 A134 E135 G348	K121-L131 HydrophobicContact CG-CD2 4.22Å; T124-L131 HydrophobicContact CG2-CD2 4.43Å; T124-L131 HydrophobicContact CG2-CG 4.49Å; L131-D133 PolarHBondContact O-N 3.47Å; L131-A134 PolarHBondContact O-N 3.06Å; L131-E135 WeakPolarHBondContact O-CG 3.45Å; L131-E135 PolarHBondContact O-N 3.01Å; L131-G348 PolarHBondContact N-O 2.89Å; L131-G348 VanDerWaalsContact N-O 3.09Å
132	A	97.4	Very high	98.3	Very high	70 Å²	70	26.2 Å²	26.2	58%	0.579	15%	0.146	S	C	*	.	H	α-helix	trans	-62.3	-42.7	177.2	0	0	0	0	0	112.3	T130 A134 E135 G136	T130-A132 PolarHBondContact O-N 2.98Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-E135 PolarHBondContact O-N 3.11Å; A132-G136 PolarHBondContact O-N 3.33Å
133	D	97.6	Very high	98.3	Very high	39 Å²	39	27.5 Å²	27.5	21%	0.209	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-34.2	175.4	-83.6	-23.9	0	0	0	112.3	K129 T130 L131 G136 D137 A312 R316	K129-D133 HydrophobicContact CB-CB 4.04Å; K129-D133 HydrophobicContact CD-CB 4.01Å; K129-D133 HydrophobicContact CG-CB 4.2Å; T130-D133 PolarHBondContact O-N 2.98Å; T130-D133 VanDerWaalsContact O-N 3.11Å; T130-D133 WeakPolarHBondContact OG1-CB 3.46Å; T130-D133 PolarHBondContact OG1-N 3.04Å; L131-D133 PolarHBondContact O-N 3.47Å; D133-G136 PolarHBondContact O-N 3.18Å; D133-D137 PolarHBondContact O-N 3.16Å; D133-A312 WeakPolarHBondContact OD2-CA 3.4Å; D133-A312 PolarHBondContact OD2-N 2.92Å; D133-R316 IonicContact OD1-CZ 2.88Å; D133-R316 IonicContact OD1-NH2 2.62Å; D133-R316 PolarHBondContact OD1-NH2 2.83Å; D133-R316 IonicContact OD2-NH2 2.87Å; D133-R316 PolarHBondContact OD2-NH2 2.86Å
134	A	98.6	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.9	-39.4	174.1	0	0	0	0	0	112.4	A120 I123 K129 T130 L131 A132 G136 D137 V138	A120-A134 HydrophobicContact CB-CB 3.8Å; A120-A134 WeakPolarHBondContact O-CB 3.39Å; I123-A134 HydrophobicContact CB-CB 3.91Å; I123-A134 HydrophobicContact CG2-CB 4.01Å; K129-A134 HydrophobicContact CD-CB 4.04Å; K129-A134 HydrophobicContact CG-CB 4.03Å; T130-A134 PolarHBondContact O-N 3.35Å; L131-A134 PolarHBondContact O-N 3.06Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A134-G136 VanDerWaalsContact C-N 3.3Å; A134-G136 PolarHBondContact O-N 3.42Å; A134-D137 VanDerWaalsContact O-CB 3.32Å; A134-D137 WeakPolarHBondContact O-CB 3.44Å; A134-D137 PolarHBondContact O-N 3.32Å; A134-V138 WeakPolarHBondContact O-CG2 3.24Å; A134-V138 PolarHBondContact O-N 3.02Å; A134-V138 VanDerWaalsContact O-N 3.09Å
135	E	98.4	Very high	98.3	Very high	72 Å²	72	27.1 Å²	27.1	34%	0.336	15%	0.15	S	C	.	.	H	α-helix	trans	-62.3	-40.8	171.3	-71.2	-173.4	168.2	0	0	110.8	L116 A120 L131 A132 V138 F139	L116-E135 HydrophobicContact CD2-CB 3.84Å; L116-E135 HydrophobicContact CD2-CG 3.62Å; A120-E135 HydrophobicContact CB-CG 3.8Å; L131-E135 WeakPolarHBondContact O-CG 3.45Å; L131-E135 PolarHBondContact O-N 3.01Å; A132-E135 PolarHBondContact O-N 3.11Å; E135-V138 PolarHBondContact O-N 3.24Å; E135-F139 VanDerWaalsContact O-CB 3.22Å; E135-F139 WeakPolarHBondContact O-CB 3.37Å; E135-F139 PolarHBondContact O-N 3.47Å
136	G	98	Very high	98.3	Very high	33 Å²	33	26.5 Å²	26.5	34%	0.34	15%	0.145	S	C	.	.	H	α-helix	trans	-60.6	-42.3	172.7	0	0	0	0	0	113.6	A132 D133 A134 F139 R140	A132-G136 PolarHBondContact O-N 3.33Å; D133-G136 PolarHBondContact O-N 3.18Å; A134-G136 VanDerWaalsContact C-N 3.3Å; A134-G136 PolarHBondContact O-N 3.42Å; G136-F139 PolarHBondContact O-N 3.16Å; G136-R140 WeakPolarHBondContact O-CB 3.45Å; G136-R140 VanDerWaalsContact O-CG 3.27Å; G136-R140 WeakPolarHBondContact O-CG 3.33Å; G136-R140 PolarHBondContact O-N 3.17Å
137	D	98.6	Very high	98.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	15%	0.15	C	C	.	.	H	α-helix	trans	-55.6	-52.9	173.6	-173.6	-22.5	0	0	0	111.1	I123 K129 D133 A134 F139 R140 G141 F187 P188 A189 M190	I123-D137 HydrophobicContact CD1-CB 4.05Å; K129-D137 IonicContact NZ-OD2 2.69Å; K129-D137 PolarHBondContact NZ-OD2 3.22Å; D133-D137 PolarHBondContact O-N 3.16Å; A134-D137 VanDerWaalsContact O-CB 3.32Å; A134-D137 WeakPolarHBondContact O-CB 3.44Å; A134-D137 PolarHBondContact O-N 3.32Å; D137-F139 PolarHBondContact O-N 2.89Å; D137-R140 PolarHBondContact O-N 3.47Å; D137-G141 PolarHBondContact O-N 2.91Å; D137-F187 HydrophobicContact CB-CD1 4.06Å; D137-F187 VanDerWaalsContact OD2-CA 3.28Å; D137-F187 WeakPolarHBondContact OD2-CA 3.44Å; D137-F187 WeakPolarHBondContact OD2-CD1 3.2Å; D137-P188 WeakPolarHBondContact OD2-CD 3.27Å; D137-A189 PolarHBondContact OD1-N 3.21Å; D137-M190 WeakPolarHBondContact O-CB 3.32Å; D137-M190 WeakPolarHBondContact OD1-CB 3.45Å; D137-M190 PolarHBondContact OD1-N 2.62Å
138	V	98.8	Very high	98.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-45.7	178.5	-177.7	0	0	0	0	111.1	I112 L116 I119 I123 A134 E135 R140 G141 L142 A189	I112-V138 HydrophobicContact CG2-CG1 3.81Å; L116-V138 HydrophobicContact CB-CG1 4.33Å; L116-V138 HydrophobicContact CD1-CG1 4.22Å; L116-V138 HydrophobicContact CG-CB 4.1Å; L116-V138 HydrophobicContact CG-CG1 3.84Å; I119-V138 HydrophobicContact CB-CG1 4.4Å; I119-V138 HydrophobicContact CB-CG2 3.8Å; I119-V138 HydrophobicContact CD1-CG1 3.96Å; I119-V138 HydrophobicContact CG2-CG1 4.44Å; I119-V138 HydrophobicContact CG2-CG2 3.46Å; I119-V138 VanDerWaalsContact CG2-CG2 3.46Å; I123-V138 HydrophobicContact CD1-CG2 3.66Å; A134-V138 WeakPolarHBondContact O-CG2 3.24Å; A134-V138 PolarHBondContact O-N 3.02Å; A134-V138 VanDerWaalsContact O-N 3.09Å; E135-V138 PolarHBondContact O-N 3.24Å; V138-R140 PolarHBondContact O-N 3.06Å; V138-G141 PolarHBondContact O-N 3.33Å; V138-L142 WeakPolarHBondContact O-CB 3.39Å; V138-L142 PolarHBondContact O-N 2.87Å; V138-A189 HydrophobicContact CG2-CB 4.02Å
139	F	98.4	Very high	98.3	Very high	96 Å²	96	28.1 Å²	28.1	42%	0.421	15%	0.153	S	C	.	.	H	α-helix	trans	-60.8	-45.2	-178.3	-179	-101.9	0	0	0	112.1	L116 E135 G136 D137 G141 L142 Q143	L116-F139 HydrophobicContact CD1-CB 4.42Å; E135-F139 VanDerWaalsContact O-CB 3.22Å; E135-F139 WeakPolarHBondContact O-CB 3.37Å; E135-F139 PolarHBondContact O-N 3.47Å; G136-F139 PolarHBondContact O-N 3.16Å; D137-F139 PolarHBondContact O-N 2.89Å; F139-G141 VanDerWaalsContact C-N 3.32Å; F139-G141 PolarHBondContact O-N 3.1Å; F139-L142 HydrophobicContact CD2-CD2 4.45Å; F139-L142 WeakPolarHBondContact O-CB 3.4Å; F139-L142 PolarHBondContact O-N 3.17Å; F139-Q143 HydrophobicContact CD1-CG 4.45Å; F139-Q143 HydrophobicContact CE1-CG 4.09Å; F139-Q143 HydrophobicContact CZ-CG 4.21Å; F139-Q143 WeakPolarHBondContact O-CG 3.32Å; F139-Q143 PolarHBondContact O-N 2.84Å
140	R	98.1	Very high	98.2	Very high	64 Å²	64	30.9 Å²	30.9	24%	0.242	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-35.1	178	-68.8	-61.6	-62.9	-163.6	-5.6	112.4	G136 D137 V138 M190 V477 P478	G136-R140 WeakPolarHBondContact O-CB 3.45Å; G136-R140 VanDerWaalsContact O-CG 3.27Å; G136-R140 WeakPolarHBondContact O-CG 3.33Å; G136-R140 PolarHBondContact O-N 3.17Å; D137-R140 PolarHBondContact O-N 3.47Å; V138-R140 PolarHBondContact O-N 3.06Å; R140-M190 HydrophobicContact CB-CG 3.92Å; R140-M190 HydrophobicContact CB-SD 3.48Å; R140-M190 WeakPolarHBondContact CB-SD 3.12Å; R140-M190 HydrophobicContact CG-SD 4.27Å; R140-V477 PolarHBondContact NH2-O 3.04Å; R140-P478 PolarHBondContact NH2-O 3.12Å; R140-P478 VanDerWaalsContact NH2-O 3.12Å
141	G	98.4	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-42.8	171.8	0	0	0	0	0	112.8	D137 V138 F139 Q143 V144 V145	D137-G141 PolarHBondContact O-N 2.91Å; V138-G141 PolarHBondContact O-N 3.33Å; F139-G141 VanDerWaalsContact C-N 3.32Å; F139-G141 PolarHBondContact O-N 3.1Å; G141-Q143 VanDerWaalsContact C-N 3.3Å; G141-Q143 PolarHBondContact O-N 2.97Å; G141-V144 WeakPolarHBondContact O-CB 3.3Å; G141-V144 PolarHBondContact O-N 3.12Å; G141-V145 PolarHBondContact O-N 2.99Å
142	L	98.6	Very high	98.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-56.4	-42.7	175.6	167.7	65.1	0	0	0	111.8	Q109 I112 K113 V138 F139 V144 V145 E146	Q109-L142 HydrophobicContact CB-CD1 4.19Å; Q109-L142 HydrophobicContact CG-CD1 3.54Å; Q109-L142 WeakPolarHBondContact O-CD1 3.39Å; I112-L142 HydrophobicContact CB-CD1 4.09Å; I112-L142 HydrophobicContact CG2-CB 4.04Å; I112-L142 HydrophobicContact CG2-CD1 4.03Å; I112-L142 HydrophobicContact CG2-CG 4.43Å; K113-L142 HydrophobicContact CD-CD2 4.25Å; K113-L142 HydrophobicContact CG-CD1 4.08Å; K113-L142 HydrophobicContact CG-CD2 3.39Å; K113-L142 HydrophobicContact CG-CG 4.35Å; V138-L142 WeakPolarHBondContact O-CB 3.39Å; V138-L142 PolarHBondContact O-N 2.87Å; F139-L142 HydrophobicContact CD2-CD2 4.45Å; F139-L142 WeakPolarHBondContact O-CB 3.4Å; F139-L142 PolarHBondContact O-N 3.17Å; L142-V144 PolarHBondContact O-N 3.39Å; L142-V145 WeakPolarHBondContact O-CA 3.46Å; L142-V145 WeakPolarHBondContact O-CB 3.22Å; L142-V145 PolarHBondContact O-N 2.87Å; L142-E146 HydrophobicContact CD1-CG 4.39Å; L142-E146 WeakPolarHBondContact O-CG 3.32Å; L142-E146 PolarHBondContact O-N 3.46Å
143	Q	98.5	Very high	98	Very high	38 Å²	38	29.9 Å²	29.9	18%	0.178	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-28.4	177.5	-65.7	-176.8	-53.1	0	0	112.7	F139 G141 E146 H147 P480	F139-Q143 HydrophobicContact CD1-CG 4.45Å; F139-Q143 HydrophobicContact CE1-CG 4.09Å; F139-Q143 HydrophobicContact CZ-CG 4.21Å; F139-Q143 WeakPolarHBondContact O-CG 3.32Å; F139-Q143 PolarHBondContact O-N 2.84Å; G141-Q143 VanDerWaalsContact C-N 3.3Å; G141-Q143 PolarHBondContact O-N 2.97Å; Q143-E146 WeakPolarHBondContact O-CB 3.26Å; Q143-E146 PolarHBondContact O-N 2.71Å; Q143-H147 PolarHBondContact O-N 2.6Å; Q143-P480 HydrophobicContact CB-CG 3.64Å
144	V	98.6	Very high	98	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-71.9	-39.1	173	179.9	0	0	0	0	111.4	G141 L142 E146 H147 A148 L193 W194 M198 P480 Y498	G141-V144 WeakPolarHBondContact O-CB 3.3Å; G141-V144 PolarHBondContact O-N 3.12Å; L142-V144 PolarHBondContact O-N 3.39Å; V144-E146 VanDerWaalsContact C-N 3.28Å; V144-E146 PolarHBondContact O-N 3.2Å; V144-H147 PolarHBondContact O-N 3.37Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 2.74Å; V144-L193 WeakPolarHBondContact CG1-O 3.48Å; V144-W194 HydrophobicContact CG2-CG 4.47Å; V144-M198 HydrophobicContact CG1-CG 3.89Å; V144-M198 HydrophobicContact CG1-SD 4.11Å; V144-P480 HydrophobicContact CB-CB 4.45Å; V144-P480 HydrophobicContact CG2-CB 3.93Å; V144-P480 HydrophobicContact CG2-CG 3.82Å; V144-Y498 HydrophobicContact CG2-CD1 4.29Å; V144-Y498 HydrophobicContact CG2-CG 4.2Å
145	V	98.7	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-39.4	172.6	-176.1	0	0	0	0	110.8	L105 Y108 Q109 I112 G141 L142 A148 C149 L193 P197	L105-V145 HydrophobicContact CB-CG1 4.49Å; Y108-V145 HydrophobicContact CD1-CG1 3.72Å; Y108-V145 HydrophobicContact CD1-CG2 4.24Å; Y108-V145 HydrophobicContact CE1-CG1 4.34Å; Y108-V145 HydrophobicContact CE1-CG2 4.03Å; Q109-V145 HydrophobicContact CB-CG1 4.06Å; I112-V145 HydrophobicContact CD1-CG2 3.96Å; G141-V145 PolarHBondContact O-N 2.99Å; L142-V145 WeakPolarHBondContact O-CA 3.46Å; L142-V145 WeakPolarHBondContact O-CB 3.22Å; L142-V145 PolarHBondContact O-N 2.87Å; V145-A148 WeakPolarHBondContact O-CB 3.45Å; V145-A148 PolarHBondContact O-N 2.76Å; V145-C149 PolarHBondContact O-N 2.76Å; V145-C149 PolarHBondContact O-SG 3.44Å; V145-L193 HydrophobicContact CG2-CB 4.48Å; V145-L193 HydrophobicContact CG2-CD2 3.82Å; V145-P197 HydrophobicContact CG2-CB 4.13Å; V145-P197 HydrophobicContact CG2-CG 3.98Å
146	E	98.5	Very high	97.8	Very high	60 Å²	60	33 Å²	33	28%	0.28	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-46.6	174	-68.2	-178.8	148.4	0	0	111.5	Q109 K113 L142 Q143 V144 A148 C149	Q109-E146 HydrophobicContact CG-CG 3.64Å; Q109-E146 PolarHBondContact NE2-OE1 3.07Å; K113-E146 WeakPolarHBondContact CE-OE1 3.38Å; K113-E146 IonicContact NZ-OE1 3.45Å; K113-E146 PolarHBondContact NZ-OE1 3.23Å; L142-E146 HydrophobicContact CD1-CG 4.39Å; L142-E146 WeakPolarHBondContact O-CG 3.32Å; L142-E146 PolarHBondContact O-N 3.46Å; Q143-E146 WeakPolarHBondContact O-CB 3.26Å; Q143-E146 PolarHBondContact O-N 2.71Å; V144-E146 VanDerWaalsContact C-N 3.28Å; V144-E146 PolarHBondContact O-N 3.2Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.28Å; E146-C149 VanDerWaalsContact O-CB 3.28Å; E146-C149 WeakPolarHBondContact O-CB 3.47Å; E146-C149 PolarHBondContact O-N 2.98Å; E146-C149 VanDerWaalsContact O-N 3.13Å
147	H	98.3	Very high	97.7	Very high	24 Å²	24	33 Å²	33	11%	0.111	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-37.6	175.8	-179	56.5	0	0	0	112.8	Q143 V144 C149 S150 P480	Q143-H147 PolarHBondContact O-N 2.6Å; V144-H147 PolarHBondContact O-N 3.37Å; H147-C149 PolarHBondContact O-N 3.46Å; H147-C149 VanDerWaalsContact O-N 3.16Å; H147-S150 VanDerWaalsContact O-CB 3.3Å; H147-S150 WeakPolarHBondContact O-CB 3.48Å; H147-S150 PolarHBondContact O-N 3.13Å; H147-S150 PolarHBondContact O-OG 3.37Å; H147-P480 HydrophobicContact CB-CB 3.78Å; H147-P480 PolarHBondContact CD2-O 3.24Å
148	A	98	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-26.4	175	0	0	0	0	0	111.9	L105 V144 V145 E146 S150 V151 M198 V201	L105-A148 HydrophobicContact CD1-CB 3.45Å; L105-A148 VanDerWaalsContact CD1-CB 3.45Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 2.74Å; V145-A148 WeakPolarHBondContact O-CB 3.45Å; V145-A148 PolarHBondContact O-N 2.76Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.28Å; A148-S150 PolarHBondContact O-N 3.3Å; A148-V151 VanDerWaalsContact O-CB 3.31Å; A148-V151 WeakPolarHBondContact O-CB 3.27Å; A148-V151 PolarHBondContact O-N 3.23Å; A148-V151 VanDerWaalsContact O-N 3.14Å; A148-M198 HydrophobicContact CB-SD 3.67Å; A148-V201 HydrophobicContact CB-CG1 4.13Å
149	C	98.1	Very high	97.7	Very high	12 Å²	12	45.5 Å²	45.5	8%	0.081	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.8	173.3	-60.7	0	0	0	0	113.2	Q102 L106 V145 E146 H147 V151	Q102-C149 WeakPolarHBondContact CG-O 3.19Å; Q102-C149 PolarHBondContact NE2-O 3.34Å; L106-C149 HydrophobicContact CD2-CB 3.86Å; L106-C149 HydrophobicContact CG-CB 4.23Å; V145-C149 PolarHBondContact O-N 2.76Å; V145-C149 PolarHBondContact O-SG 3.44Å; E146-C149 VanDerWaalsContact O-CB 3.28Å; E146-C149 WeakPolarHBondContact O-CB 3.47Å; E146-C149 PolarHBondContact O-N 2.98Å; E146-C149 VanDerWaalsContact O-N 3.13Å; H147-C149 PolarHBondContact O-N 3.46Å; H147-C149 VanDerWaalsContact O-N 3.16Å; C149-V151 PolarHBondContact O-N 3.18Å
150	S	97.1	Very high	97.6	Very high	59 Å²	59	46 Å²	46	41%	0.413	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	12	170.7	-52.7	0	0	0	0	113.7	H147 A148 T152 S153 L154	H147-S150 VanDerWaalsContact O-CB 3.3Å; H147-S150 WeakPolarHBondContact O-CB 3.48Å; H147-S150 PolarHBondContact O-N 3.13Å; H147-S150 PolarHBondContact O-OG 3.37Å; A148-S150 PolarHBondContact O-N 3.3Å; S150-T152 PolarHBondContact O-N 3.46Å; S150-S153 PolarHBondContact O-N 3.46Å; S150-L154 WeakPolarHBondContact O-CG 3.36Å; S150-L154 PolarHBondContact O-N 2.8Å
151	V	97.1	Very high	97.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-51.3	-31.8	-173.7	63.8	0	0	0	0	115.1	V98 Q102 A148 C149 S153 L154 M155 V201	V98-V151 HydrophobicContact CG2-CB 4.31Å; V98-V151 HydrophobicContact CG2-CG1 3.74Å; V98-V151 HydrophobicContact CG2-CG2 3.78Å; Q102-V151 HydrophobicContact CB-CG1 3.86Å; Q102-V151 HydrophobicContact CG-CG1 4.3Å; A148-V151 VanDerWaalsContact O-CB 3.31Å; A148-V151 WeakPolarHBondContact O-CB 3.27Å; A148-V151 PolarHBondContact O-N 3.23Å; A148-V151 VanDerWaalsContact O-N 3.14Å; C149-V151 PolarHBondContact O-N 3.18Å; V151-S153 VanDerWaalsContact C-N 3.31Å; V151-S153 PolarHBondContact O-N 3.05Å; V151-L154 PolarHBondContact O-N 2.71Å; V151-L154 VanDerWaalsContact O-N 3.16Å; V151-M155 HydrophobicContact CG2-CB 4.49Å; V151-M155 HydrophobicContact CG2-CG 3.38Å; V151-M155 HydrophobicContact CG2-SD 4.48Å; V151-M155 WeakPolarHBondContact O-CB 3.11Å; V151-M155 WeakPolarHBondContact O-CG 3.3Å; V151-M155 PolarHBondContact O-N 2.89Å; V151-V201 HydrophobicContact CB-CB 4.44Å; V151-V201 HydrophobicContact CB-CG1 4.04Å; V151-V201 HydrophobicContact CB-CG2 3.62Å; V151-V201 HydrophobicContact CG1-CG2 3.58Å; V151-V201 HydrophobicContact CG2-CB 4.3Å; V151-V201 HydrophobicContact CG2-CG1 3.84Å; V151-V201 HydrophobicContact CG2-CG2 3.81Å
152	T	95.7	Very high	97.3	Very high	50 Å²	50	51.6 Å²	51.6	31%	0.307	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-43.1	-176.4	48.8	0	0	0	0	111.7	V98 L99 S150	V98-T152 HydrophobicContact CG1-CG2 4.39Å; V98-T152 HydrophobicContact CG2-CG2 4.43Å; L99-T152 HydrophobicContact CD2-CG2 3.66Å; S150-T152 PolarHBondContact O-N 3.46Å
153	S	96.3	Very high	97.1	Very high	76 Å²	76	54.6 Å²	54.6	53%	0.531	32%	0.315	S	S	.	.	H	α-helix	trans	-80.8	-32.4	176.2	-55	0	0	0	0	112	S150 V151 M155 M156	S150-S153 PolarHBondContact O-N 3.46Å; V151-S153 VanDerWaalsContact C-N 3.31Å; V151-S153 PolarHBondContact O-N 3.05Å; S153-M155 VanDerWaalsContact C-N 3.34Å; S153-M155 PolarHBondContact O-N 3.16Å; S153-M156 WeakPolarHBondContact O-CE 3.17Å
154	L	96.4	Very high	96.9	Very high	30 Å²	30	56 Å²	56	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-71.2	-27.3	-177.7	-63.2	172.2	0	0	0	113.4	S150 V151 K500 I503	S150-L154 WeakPolarHBondContact O-CG 3.36Å; S150-L154 PolarHBondContact O-N 2.8Å; V151-L154 PolarHBondContact O-N 2.71Å; V151-L154 VanDerWaalsContact O-N 3.16Å; L154-K500 HydrophobicContact CD2-CG 4.23Å; L154-I503 HydrophobicContact CB-CD1 4.06Å; L154-I503 HydrophobicContact CB-CG1 3.98Å; L154-I503 HydrophobicContact CB-CG2 4.5Å; L154-I503 HydrophobicContact CD1-CD1 4.02Å; L154-I503 HydrophobicContact CD1-CG1 4.07Å; L154-I503 HydrophobicContact CG-CG1 4.47Å
155	M	96.9	Very high	96.6	Very high	24 Å²	24	62.8 Å²	62.8	12%	0.118	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.7	-178.9	-73.7	-69.4	-68.1	0	0	114	V98 V151 S153 G157 R173 C202 I503 T507	V98-M155 HydrophobicContact CG2-CG 4.42Å; V151-M155 HydrophobicContact CG2-CB 4.49Å; V151-M155 HydrophobicContact CG2-CG 3.38Å; V151-M155 HydrophobicContact CG2-SD 4.48Å; V151-M155 WeakPolarHBondContact O-CB 3.11Å; V151-M155 WeakPolarHBondContact O-CG 3.3Å; V151-M155 PolarHBondContact O-N 2.89Å; S153-M155 VanDerWaalsContact C-N 3.34Å; S153-M155 PolarHBondContact O-N 3.16Å; M155-G157 PolarHBondContact O-N 3.15Å; M155-R173 HydrophobicContact CE-CB 4.07Å; M155-R173 WeakPolarHBondContact CE-O 3.49Å; M155-R173 HydrophobicContact SD-CB 4.34Å; M155-C202 HydrophobicContact SD-CB 4.24Å; M155-I503 HydrophobicContact SD-CG2 4.34Å; M155-T507 HydrophobicContact CE-CG2 4.08Å; M155-T507 HydrophobicContact SD-CG2 3.76Å
156	M	97.4	Very high	96.2	Very high	123 Å²	123	65.3 Å²	65.3	61%	0.606	37%	0.369	S	S	*	.			trans	-60.8	138.5	177.8	-63.3	-169.1	-66.8	0	0	110.7	S153 R173	S153-M156 WeakPolarHBondContact O-CE 3.17Å; M156-R173 PolarHBondContact O-NE 3.41Å
157	G	96.1	Very high	96.1	Very high	32 Å²	32	64.4 Å²	64.4	33%	0.33	37%	0.365	S	S	.	.			trans	-91.2	-158.2	167.3	0	0	0	0	0	111.3	M155 S171	M155-G157 PolarHBondContact O-N 3.15Å; G157-S171 WeakPolarHBondContact CA-O 3.34Å
158	E	97.6	Very high	96.1	Very high	147 Å²	147	66.6 Å²	66.6	69%	0.687	38%	0.378	S	S	*	.			trans	-120.8	152.6	-178.1	-63.6	174.3	148.8	0	0	110	Y170 S171	E158-Y170 CarbonylContact O-C 3.59Å; E158-Y170 WeakPolarHBondContact O-CA 3.12Å; E158-S171 PolarHBondContact N-OG 3.4Å; E158-S171 PolarHBondContact O-N 3.02Å
159	T	97.9	Very high	96	Very high	117 Å²	117	68.9 Å²	68.9	72%	0.718	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.6	179.2	58.8	0	0	0	0	109.9	L169	T159-L169 CarbonylContact C-O 3.51Å
160	M	97.8	Very high	96	Very high	106 Å²	106	71 Å²	71	52%	0.522	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	106.3	174.6	-175.3	163.4	68.5	0	0	108.5	I163 L169	M160-I163 HydrophobicContact CB-CG2 4.26Å; M160-I163 HydrophobicContact CE-CG2 3.4Å; M160-I163 HydrophobicContact CG-CG2 3.8Å; M160-I163 HydrophobicContact SD-CG2 4.28Å; M160-L169 HydrophobicContact CE-CD2 3.98Å; M160-L169 PolarHBondContact N-O 2.67Å; M160-L169 PolarHBondContact O-N 3.45Å
161	P	95.7	Very high	96.1	Very high	90 Å²	90	68.8 Å²	68.8	58%	0.584	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	158.1	179.8	32.2	-34.7	0	0	0	111.4	I163 D168	P161-I163 VanDerWaalsContact C-N 3.33Å; P161-I163 PolarHBondContact O-N 3.46Å; P161-D168 WeakPolarHBondContact CA-OD1 3.41Å
162	S	93.6	Very high	96.1	Very high	93 Å²	93	74.3 Å²	74.3	65%	0.65	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.6	45.2	167.5	-50.9	0	0	0	0	113.8	T164 M167 D168	S162-T164 CarbonylContact C-O 3.56Å; S162-T164 PolarHBondContact O-N 2.94Å; S162-M167 CarbonylContact C-O 3.53Å; S162-M167 WeakPolarHBondContact CA-O 3.48Å; S162-M167 PolarHBondContact N-O 3.01Å; S162-D168 PolarHBondContact N-OD1 2.76Å
163	I	95.4	Very high	96.2	Very high	65 Å²	65	74.6 Å²	74.6	33%	0.333	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	-23.1	173.8	59.2	153.8	0	0	0	111.7	M160 P161 M167 L169 T513	M160-I163 HydrophobicContact CB-CG2 4.26Å; M160-I163 HydrophobicContact CE-CG2 3.4Å; M160-I163 HydrophobicContact CG-CG2 3.8Å; M160-I163 HydrophobicContact SD-CG2 4.28Å; P161-I163 VanDerWaalsContact C-N 3.33Å; P161-I163 PolarHBondContact O-N 3.46Å; I163-M167 HydrophobicContact CD1-CE 3.34Å; I163-M167 HydrophobicContact CD1-CG 4.29Å; I163-M167 HydrophobicContact CG1-CB 4.42Å; I163-M167 HydrophobicContact CG1-CE 3.79Å; I163-M167 HydrophobicContact CG1-CG 4.19Å; I163-M167 WeakPolarHBondContact CG1-O 3.41Å; I163-M167 PolarHBondContact N-O 2.71Å; I163-L169 HydrophobicContact CD1-CB 4.06Å; I163-L169 HydrophobicContact CG1-CB 4.45Å; I163-L169 HydrophobicContact CG2-CB 3.89Å; I163-T513 HydrophobicContact CD1-CG2 4.06Å
164	T	93.6	Very high	96.3	Very high	68 Å²	68	73.3 Å²	73.3	42%	0.417	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	-178.8	155.7	-169.8	0	0	0	0	108.1	S162 D166 M167	S162-T164 CarbonylContact C-O 3.56Å; S162-T164 PolarHBondContact O-N 2.94Å; T164-D166 PolarHBondContact O-N 2.86Å; T164-M167 HydrophobicContact CG2-CB 3.7Å; T164-M167 HydrophobicContact CG2-CE 3.48Å; T164-M167 VanDerWaalsContact CG2-CE 3.48Å; T164-M167 HydrophobicContact CG2-CG 4.41Å; T164-M167 HydrophobicContact CG2-SD 4.09Å; T164-M167 PolarHBondContact O-N 2.85Å
165	K	91.8	Very high	96.4	Very high	142 Å²	142	72.9 Å²	72.9	62%	0.617	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	130	176.8	-174	177.7	177.7	-175	0	110.5	M167	K165-M167 PolarHBondContact O-N 3.39Å
166	D	92.1	Very high	96.5	Very high	53 Å²	53	72.7 Å²	72.7	28%	0.283	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	21.4	175.8	-56.9	-16.5	0	0	0	115.2	T164 Q515 W516 K517 E518	T164-D166 PolarHBondContact O-N 2.86Å; D166-Q515 VanDerWaalsContact O-CA 3.3Å; D166-Q515 WeakPolarHBondContact O-CA 3.42Å; D166-Q515 WeakPolarHBondContact O-CG 3.3Å; D166-W516 WeakPolarHBondContact CB-O 3.45Å; D166-W516 PolarHBondContact O-N 3.24Å; D166-K517 WeakPolarHBondContact OD2-CA 3.34Å; D166-E518 PolarHBondContact OD2-N 3.24Å; D166-E518 VanDerWaalsContact OD2-N 3.09Å
167	M	95.3	Very high	96.6	Very high	42 Å²	42	67.1 Å²	67.1	21%	0.207	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.6	-175.1	-167.4	169	83.7	0	0	113.5	S162 I163 T164 K165 T513 S514 Q515	S162-M167 CarbonylContact C-O 3.53Å; S162-M167 WeakPolarHBondContact CA-O 3.48Å; S162-M167 PolarHBondContact N-O 3.01Å; I163-M167 HydrophobicContact CD1-CE 3.34Å; I163-M167 HydrophobicContact CD1-CG 4.29Å; I163-M167 HydrophobicContact CG1-CB 4.42Å; I163-M167 HydrophobicContact CG1-CE 3.79Å; I163-M167 HydrophobicContact CG1-CG 4.19Å; I163-M167 WeakPolarHBondContact CG1-O 3.41Å; I163-M167 PolarHBondContact N-O 2.71Å; T164-M167 HydrophobicContact CG2-CB 3.7Å; T164-M167 HydrophobicContact CG2-CE 3.48Å; T164-M167 VanDerWaalsContact CG2-CE 3.48Å; T164-M167 HydrophobicContact CG2-CG 4.41Å; T164-M167 HydrophobicContact CG2-SD 4.09Å; T164-M167 PolarHBondContact O-N 2.85Å; K165-M167 PolarHBondContact O-N 3.39Å; M167-T513 HydrophobicContact CE-CG2 3.8Å; M167-T513 HydrophobicContact CG-CG2 3.6Å; M167-T513 HydrophobicContact SD-CG2 3.43Å; M167-T513 WeakPolarHBondContact SD-CG2 3.35Å; M167-S514 WeakPolarHBondContact CA-O 3.33Å; M167-Q515 HydrophobicContact CB-CB 4.26Å; M167-Q515 HydrophobicContact CB-CG 4.33Å; M167-Q515 HydrophobicContact CG-CB 4.04Å; M167-Q515 HydrophobicContact SD-CB 4.3Å
168	D	97.4	Very high	96.7	Very high	69 Å²	69	65.8 Å²	65.8	37%	0.369	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	155.4	178.9	-64.1	-26.9	0	0	0	111.7	P161 S162 T513 S514	P161-D168 WeakPolarHBondContact CA-OD1 3.41Å; S162-D168 PolarHBondContact N-OD1 2.76Å; D168-T513 WeakPolarHBondContact O-CA 3.4Å; D168-S514 PolarHBondContact N-O 3.17Å; D168-S514 PolarHBondContact O-N 3.43Å
169	L	97.5	Very high	96.8	Very high	49 Å²	49	58.8 Å²	58.8	26%	0.257	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.3	173.3	-175.7	66.9	0	0	0	110	T159 M160 I163 T511 T513	T159-L169 CarbonylContact C-O 3.51Å; M160-L169 HydrophobicContact CE-CD2 3.98Å; M160-L169 PolarHBondContact N-O 2.67Å; M160-L169 PolarHBondContact O-N 3.45Å; I163-L169 HydrophobicContact CD1-CB 4.06Å; I163-L169 HydrophobicContact CG1-CB 4.45Å; I163-L169 HydrophobicContact CG2-CB 3.89Å; L169-T511 HydrophobicContact CD1-CG2 3.46Å; L169-T511 VanDerWaalsContact CD1-CG2 3.46Å; L169-T511 HydrophobicContact CG-CG2 4.23Å; L169-T513 WeakPolarHBondContact CD1-OG1 3.21Å
170	Y	98.3	Very high	96.8	Very high	57 Å²	57	53.2 Å²	53.2	22%	0.224	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.1	174.7	53.9	-89.1	0	0	0	112.8	E158 Y172 T511 I512	E158-Y170 CarbonylContact O-C 3.59Å; E158-Y170 WeakPolarHBondContact O-CA 3.12Å; Y170-Y172 HydrophobicContact CD2-CE1 4.37Å; Y170-Y172 AromaticContact CD2-CE2 3.96Å; Y170-Y172 HydrophobicContact CD2-CE2 3.96Å; Y170-Y172 AromaticContact CD2-CZ 3.78Å; Y170-Y172 AromaticContact CE2-CE2 3.67Å; Y170-Y172 HydrophobicContact CE2-CE2 3.67Å; Y170-Y172 AromaticContact CE2-CZ 3.66Å; Y170-Y172 WeakPolarHBondContact CE2-OH 3.42Å; Y170-T511 CarbonylContact O-C 3.55Å; Y170-T511 WeakPolarHBondContact O-CA 3.32Å; Y170-I512 HydrophobicContact CD2-CB 4.08Å; Y170-I512 HydrophobicContact CD2-CD1 4.43Å; Y170-I512 HydrophobicContact CE1-CB 4.47Å; Y170-I512 HydrophobicContact CE1-CG2 4.21Å; Y170-I512 HydrophobicContact CE2-CB 3.68Å; Y170-I512 HydrophobicContact CE2-CD1 3.73Å; Y170-I512 HydrophobicContact CE2-CG1 4.23Å; Y170-I512 HydrophobicContact CE2-CG2 3.9Å; Y170-I512 PolarHBondContact N-O 3.03Å; Y170-I512 PolarHBondContact O-N 3.26Å; Y170-I512 WeakPolarHBondContact OH-CG2 3.43Å
171	S	98.3	Very high	96.9	Very high	11 Å²	11	48.2 Å²	48.2	8%	0.077	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	178.5	70.4	0	0	0	0	113.1	G157 E158 K510	G157-S171 WeakPolarHBondContact CA-O 3.34Å; E158-S171 PolarHBondContact N-OG 3.4Å; E158-S171 PolarHBondContact O-N 3.02Å; S171-K510 CarbonylContact C-O 3.54Å; S171-K510 WeakPolarHBondContact CA-O 3.36Å
172	Y	98.1	Very high	97	Very high	117 Å²	117	44.2 Å²	44.2	46%	0.459	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142	171.6	-62.4	-55	0	0	0	110.9	Y170 L509 K510 I512	Y170-Y172 HydrophobicContact CD2-CE1 4.37Å; Y170-Y172 AromaticContact CD2-CE2 3.96Å; Y170-Y172 HydrophobicContact CD2-CE2 3.96Å; Y170-Y172 AromaticContact CD2-CZ 3.78Å; Y170-Y172 AromaticContact CE2-CE2 3.67Å; Y170-Y172 HydrophobicContact CE2-CE2 3.67Å; Y170-Y172 AromaticContact CE2-CZ 3.66Å; Y170-Y172 WeakPolarHBondContact CE2-OH 3.42Å; Y172-L509 CarbonylContact O-C 3.53Å; Y172-L509 WeakPolarHBondContact O-CA 3.2Å; Y172-K510 PolarHBondContact N-O 3.31Å; Y172-K510 PolarHBondContact O-N 2.89Å; Y172-I512 HydrophobicContact CD2-CD1 3.75Å; Y172-I512 HydrophobicContact CE2-CD1 3.55Å
173	R	97.9	Very high	97.3	Very high	56 Å²	56	40 Å²	40	21%	0.211	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.4	165.6	-67.6	-177.4	-178.6	-76.8	-7	109.6	M155 M156 T507 L509	M155-R173 HydrophobicContact CE-CB 4.07Å; M155-R173 WeakPolarHBondContact CE-O 3.49Å; M155-R173 HydrophobicContact SD-CB 4.34Å; M156-R173 PolarHBondContact O-NE 3.41Å; R173-T507 HydrophobicContact CB-CG2 4.37Å; R173-L509 HydrophobicContact CG-CD2 3.68Å
174	L	98.3	Very high	97.4	Very high	49 Å²	49	37.8 Å²	37.8	26%	0.257	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.7	-178.2	-56.9	-179.1	0	0	0	110.6	T507 Q508 K510	L174-T507 CarbonylContact O-C 3.29Å; L174-T507 WeakPolarHBondContact O-CA 3.2Å; L174-T507 WeakPolarHBondContact O-CB 3.49Å; L174-Q508 HydrophobicContact CB-CG 4.21Å; L174-Q508 PolarHBondContact N-O 2.83Å; L174-Q508 PolarHBondContact O-N 2.96Å; L174-K510 HydrophobicContact CD1-CB 3.74Å; L174-K510 HydrophobicContact CD1-CD 3.9Å; L174-K510 VanDerWaalsContact CD1-CE 3.41Å; L174-K510 HydrophobicContact CD1-CG 4.45Å; L174-K510 HydrophobicContact CG-CB 4.39Å
175	P	98.6	Very high	97.7	Very high	20 Å²	20	35.9 Å²	35.9	13%	0.13	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	160.8	171.2	28.1	-33.8	0	0	0	111.3	F90 A94 C202 N204 Q508	F90-P175 HydrophobicContact CE2-CB 3.97Å; F90-P175 HydrophobicContact CE2-CG 4.07Å; F90-P175 HydrophobicContact CZ-CB 4.35Å; F90-P175 HydrophobicContact CZ-CG 4.17Å; A94-P175 HydrophobicContact CB-CG 3.8Å; P175-C202 WeakPolarHBondContact CB-O 3.47Å; P175-N204 WeakPolarHBondContact CB-OD1 3.37Å; P175-Q508 PolarHBondContact O-NE2 2.98Å
176	L	98.7	Very high	98	Very high	21 Å²	21	29.4 Å²	29.4	11%	0.11	14%	0.144	C	C	.	.			trans	-89.6	-39.6	-178.5	-56.5	175.7	0	0	0	112.8	N204 K255 A256 F505 Q508	L176-N204 WeakPolarHBondContact CA-OD1 3.43Å; L176-N204 PolarHBondContact N-OD1 2.73Å; L176-K255 HydrophobicContact CB-CB 3.96Å; L176-K255 HydrophobicContact CB-CG 4.49Å; L176-A256 HydrophobicContact CD1-CB 3.91Å; L176-F505 WeakPolarHBondContact CD1-O 3.4Å; L176-Q508 HydrophobicContact CD2-CB 3.81Å; L176-Q508 HydrophobicContact CD2-CG 4.03Å
177	G	98.7	Very high	98.3	Very high	5 Å²	5	28 Å²	28	5%	0.052	14%	0.135	C	C	.	.	S	Bend	trans	139.1	-127.8	-170.1	0	0	0	0	0	112.9	F90 N204 T205	F90-G177 VanDerWaalsContact CZ-CA 3.45Å; G177-N204 PolarHBondContact N-OD1 3.02Å; G177-N204 VanDerWaalsContact N-OD1 3.12Å; G177-N204 WeakPolarHBondContact O-CA 3.46Å; G177-N204 WeakPolarHBondContact O-CB 3.18Å; G177-T205 PolarHBondContact O-N 2.88Å
178	V	98.9	Very high	98.5	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.03	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120.9	171.4	-171.9	0	0	0	0	108.8	I83 C86 K87 I254 K255	I83-V178 HydrophobicContact CD1-CG1 3.91Å; C86-V178 HydrophobicContact CB-CB 4.27Å; C86-V178 HydrophobicContact CB-CG1 3.62Å; C86-V178 HydrophobicContact CB-CG2 3.67Å; K87-V178 HydrophobicContact CG-CG2 3.95Å; V178-I254 HydrophobicContact CG1-CG1 4.4Å; V178-I254 CarbonylContact O-C 3.58Å; V178-I254 WeakPolarHBondContact O-CA 3.47Å; V178-K255 PolarHBondContact O-N 3.29Å
179	C	98.9	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	158.2	171.1	-63.4	0	0	0	0	109.6	A199 T205 F206 L207 A256 Y506	C179-A199 HydrophobicContact CB-CB 4.39Å; C179-T205 PolarHBondContact N-O 2.88Å; C179-F206 HydrophobicContact CB-CD2 3.74Å; C179-F206 HydrophobicContact CB-CE2 3.86Å; C179-F206 CarbonylContact O-C 3.6Å; C179-F206 WeakPolarHBondContact O-CA 3.4Å; C179-L207 PolarHBondContact O-N 3.09Å; C179-A256 HydrophobicContact CB-CB 4.39Å; C179-Y506 HydrophobicContact CB-CD1 4.26Å; C179-Y506 HydrophobicContact CB-CE1 4.15Å
180	A	98.9	Very high	98.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.2	178.3	0	0	0	0	0	112.7	F206 L207 I248 I254 A256 I257 S258	A180-F206 VanDerWaalsContact C-CZ 3.42Å; A180-L207 CarbonylContact C-O 3.54Å; A180-L207 WeakPolarHBondContact CA-O 3.25Å; A180-L207 HydrophobicContact CB-CB 4.37Å; A180-I248 HydrophobicContact CB-CG1 4.42Å; A180-I248 HydrophobicContact CB-CG2 3.54Å; A180-I254 HydrophobicContact CB-CD1 4.2Å; A180-I254 HydrophobicContact CB-CG2 3.79Å; A180-A256 PolarHBondContact N-O 2.83Å; A180-I257 WeakPolarHBondContact O-CA 3.22Å; A180-S258 PolarHBondContact O-N 3.29Å
181	G	98.9	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.6	179.3	0	0	0	0	0	111.6	M195 F206 L207 K209 S258	G181-M195 VanDerWaalsContact CA-SD 3.57Å; G181-F206 VanDerWaalsContact N-CE1 3.31Å; G181-F206 VanDerWaalsContact N-CZ 3.3Å; G181-L207 PolarHBondContact N-O 3.04Å; G181-K209 PolarHBondContact O-N 3.01Å; G181-S258 CarbonylContact C-O 3.57Å; G181-S258 VanDerWaalsContact CA-O 3.28Å; G181-S258 WeakPolarHBondContact CA-O 3.34Å
182	I	98.9	Very high	98.6	Very high	6 Å²	6	18 Å²	18	3%	0.031	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.4	174.8	-60.8	162.8	0	0	0	107.2	K209 V245 I248 I257 S258 F259 V260 I269	I182-K209 WeakPolarHBondContact CA-O 3.48Å; I182-K209 HydrophobicContact CG1-CB 4.42Å; I182-K209 HydrophobicContact CG2-CD 4.37Å; I182-V245 HydrophobicContact CD1-CB 4.49Å; I182-V245 HydrophobicContact CD1-CG1 4.1Å; I182-V245 HydrophobicContact CD1-CG2 4.2Å; I182-V245 HydrophobicContact CG2-CG2 4.39Å; I182-I248 HydrophobicContact CD1-CB 4.41Å; I182-I248 HydrophobicContact CD1-CD1 4.18Å; I182-I248 HydrophobicContact CD1-CG2 4.07Å; I182-I248 HydrophobicContact CG1-CD1 3.81Å; I182-I257 HydrophobicContact CD1-CG2 4.42Å; I182-S258 PolarHBondContact N-O 3.03Å; I182-F259 HydrophobicContact CB-CD2 3.87Å; I182-F259 HydrophobicContact CG2-CD2 3.71Å; I182-F259 HydrophobicContact CG2-CE2 4.01Å; I182-V260 PolarHBondContact O-N 2.58Å; I182-V260 VanDerWaalsContact O-N 3.12Å; I182-I269 HydrophobicContact CD1-CD1 3.87Å; I182-I269 HydrophobicContact CD1-CG1 4.48Å
183	A	98.7	Very high	98.7	Very high	6 Å²	6	12.4 Å²	12.4	5%	0.05	6%	0.063	C	C	.	.			trans	-110.3	149.3	-174.5	0	0	0	0	0	113.1	I191 P192 M208 K209 S211	A183-I191 HydrophobicContact CB-CG2 3.84Å; A183-P192 HydrophobicContact CB-CG 4.12Å; A183-M208 HydrophobicContact CB-CE 3.33Å; A183-K209 PolarHBondContact N-O 2.67Å; A183-K209 VanDerWaalsContact N-O 3.12Å; A183-S211 PolarHBondContact O-N 2.98Å
184	P	98.6	Very high	98.7	Very high	17 Å²	17	10.1 Å²	10.1	11%	0.11	6%	0.055	C	C	.	.			trans	-84.6	177.7	179.2	38.2	-35.1	0	0	0	110.8	N186 I191 V260	P184-N186 WeakPolarHBondContact CB-OD1 3.37Å; P184-N186 WeakPolarHBondContact CG-OD1 3.3Å; P184-I191 HydrophobicContact CG-CD1 3.32Å; P184-V260 WeakPolarHBondContact CB-O 3.48Å; P184-V260 WeakPolarHBondContact CD-O 3.19Å; P184-V260 HydrophobicContact CG-CB 4.25Å; P184-V260 HydrophobicContact CG-CG1 4.07Å
185	F	98.6	Very high	98.7	Very high	28 Å²	28	7.8 Å²	7.8	12%	0.123	4%	0.043	C	C	.	.	S	Bend	trans	-80.7	-23.6	-177.1	72.6	-93.6	0	0	0	114	Q127 F187 R213 V214 Q315 I359 F419	Q127-F185 HydrophobicContact CG-CD2 4.35Å; Q127-F185 WeakPolarHBondContact CG-O 3.4Å; F185-F187 PolarHBondContact O-N 3.27Å; F185-R213 HydrophobicContact CB-CB 4.31Å; F185-V214 VanDerWaalsContact CA-CG2 3.44Å; F185-V214 HydrophobicContact CB-CG2 3.84Å; F185-V214 WeakPolarHBondContact O-CG2 3.29Å; F185-Q315 HydrophobicContact CE2-CB 4.37Å; F185-Q315 HydrophobicContact CE2-CG 4.49Å; F185-I359 HydrophobicContact CB-CG1 4.4Å; F185-I359 HydrophobicContact CD1-CG2 4.45Å; F185-I359 HydrophobicContact CD2-CB 3.69Å; F185-I359 HydrophobicContact CD2-CD1 4Å; F185-I359 HydrophobicContact CD2-CG1 3.59Å; F185-I359 HydrophobicContact CD2-CG2 3.92Å; F185-I359 HydrophobicContact CE1-CG2 4.04Å; F185-I359 HydrophobicContact CE2-CB 3.54Å; F185-I359 HydrophobicContact CE2-CG1 4.01Å; F185-I359 HydrophobicContact CE2-CG2 3.47Å; F185-I359 VanDerWaalsContact CE2-CG2 3.47Å; F185-I359 HydrophobicContact CG-CB 4.42Å; F185-I359 HydrophobicContact CG-CG1 4Å; F185-I359 HydrophobicContact CG-CG2 4.39Å; F185-I359 HydrophobicContact CZ-CB 4.14Å; F185-I359 HydrophobicContact CZ-CG2 3.51Å; F185-F419 HydrophobicContact CE1-CE1 4.06Å; F185-F419 HydrophobicContact CE2-CE1 4.22Å; F185-F419 AromaticContact CZ-CD1 3.9Å; F185-F419 HydrophobicContact CZ-CD1 3.9Å; F185-F419 AromaticContact CZ-CE1 3.49Å; F185-F419 HydrophobicContact CZ-CE1 3.49Å; F185-F419 VanDerWaalsContact CZ-CE1 3.49Å
186	N	98.4	Very high	98.7	Very high	7 Å²	7	7 Å²	7	4%	0.037	4%	0.037	C	C	.	.	S	Bend	trans	-78.6	-21.9	-164.7	65.3	-42.3	0	0	0	113.6	K129 P184 Q315 F419	K129-N186 WeakPolarHBondContact CE-O 3.4Å; K129-N186 PolarHBondContact NZ-O 3.29Å; P184-N186 WeakPolarHBondContact CB-OD1 3.37Å; P184-N186 WeakPolarHBondContact CG-OD1 3.3Å; N186-Q315 WeakPolarHBondContact CB-O 3.38Å; N186-Q315 PolarHBondContact ND2-O 3.16Å; N186-Q315 VanDerWaalsContact ND2-O 3.16Å; N186-F419 HydrophobicContact CB-CE1 4.1Å; N186-F419 HydrophobicContact CB-CZ 4.06Å
187	F	98.6	Very high	98.7	Very high	24 Å²	24	6 Å²	6	11%	0.105	3%	0.032	C	C	.	.			trans	-137.3	77.4	172.6	-66.1	-84.2	0	0	0	111.8	D137 F185 A189 M190 I191 P192 R316	D137-F187 HydrophobicContact CB-CD1 4.06Å; D137-F187 VanDerWaalsContact OD2-CA 3.28Å; D137-F187 WeakPolarHBondContact OD2-CA 3.44Å; D137-F187 WeakPolarHBondContact OD2-CD1 3.2Å; F185-F187 PolarHBondContact O-N 3.27Å; F187-A189 PolarHBondContact O-N 2.84Å; F187-M190 HydrophobicContact CB-CB 4Å; F187-M190 HydrophobicContact CB-CE 3.94Å; F187-M190 HydrophobicContact CD1-CB 4.35Å; F187-M190 HydrophobicContact CD1-CE 3.61Å; F187-M190 HydrophobicContact CD1-SD 4.29Å; F187-M190 HydrophobicContact CD2-CE 3.69Å; F187-M190 HydrophobicContact CE1-CE 3.95Å; F187-M190 HydrophobicContact CE2-CE 4.01Å; F187-M190 HydrophobicContact CG-CB 4.48Å; F187-M190 HydrophobicContact CG-CE 3.49Å; F187-M190 VanDerWaalsContact CG-CE 3.49Å; F187-M190 HydrophobicContact CZ-CE 4.14Å; F187-I191 HydrophobicContact CB-CD1 3.79Å; F187-I191 HydrophobicContact CB-CG1 3.9Å; F187-I191 HydrophobicContact CD2-CD1 4.21Å; F187-I191 HydrophobicContact CG-CD1 4.48Å; F187-I191 PolarHBondContact O-N 3.48Å; F187-P192 WeakPolarHBondContact O-CD 3.47Å; F187-R316 HydrophobicContact CE2-CB 4.23Å; F187-R316 HydrophobicContact CE2-CG 4.22Å; F187-R316 HydrophobicContact CZ-CB 4.25Å; F187-R316 HydrophobicContact CZ-CG 3.85Å
188	P	98.6	Very high	98.7	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.013	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-0.7	-173.4	31.1	-36.7	0	0	0	115	I123 D137 P192 V214 A217 T218	I123-P188 HydrophobicContact CB-CG 4.36Å; I123-P188 HydrophobicContact CD1-CG 4.44Å; I123-P188 HydrophobicContact CG1-CG 3.95Å; I123-P188 HydrophobicContact CG2-CG 3.9Å; D137-P188 WeakPolarHBondContact OD2-CD 3.27Å; P188-P192 WeakPolarHBondContact O-CG 3.48Å; P188-V214 HydrophobicContact CB-CB 3.92Å; P188-V214 HydrophobicContact CB-CG2 3.63Å; P188-V214 WeakPolarHBondContact CB-O 3.46Å; P188-V214 HydrophobicContact CG-CB 4.08Å; P188-V214 HydrophobicContact CG-CG2 4.11Å; P188-A217 HydrophobicContact CB-CB 4.21Å; P188-A217 HydrophobicContact CG-CB 4.29Å; P188-T218 PolarHBondContact O-OG1 3.05Å
189	A	98.8	Very high	98.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-54.8	168.3	0	0	0	0	0	111.6	I119 I123 D137 V138 F187 I191 P192 L193 L221	I119-A189 HydrophobicContact CG2-CB 4.15Å; I123-A189 HydrophobicContact CD1-CB 3.74Å; D137-A189 PolarHBondContact OD1-N 3.21Å; V138-A189 HydrophobicContact CG2-CB 4.02Å; F187-A189 PolarHBondContact O-N 2.84Å; A189-I191 PolarHBondContact O-N 2.85Å; A189-P192 WeakPolarHBondContact O-CD 3.42Å; A189-L193 WeakPolarHBondContact O-CB 3.48Å; A189-L193 WeakPolarHBondContact O-CG 3.21Å; A189-L193 PolarHBondContact O-N 2.88Å; A189-L193 VanDerWaalsContact O-N 3.1Å; A189-L221 HydrophobicContact CB-CD1 4.04Å
190	M	98.7	Very high	98.7	Very high	13 Å²	13	5.6 Å²	5.6	6%	0.064	3%	0.028	C	C	.	.	H	α-helix	trans	-54	-52.8	-176	-173.9	177.9	71.9	0	0	112.2	D137 R140 F187 L193 W194	D137-M190 WeakPolarHBondContact O-CB 3.32Å; D137-M190 WeakPolarHBondContact OD1-CB 3.45Å; D137-M190 PolarHBondContact OD1-N 2.62Å; R140-M190 HydrophobicContact CB-CG 3.92Å; R140-M190 HydrophobicContact CB-SD 3.48Å; R140-M190 WeakPolarHBondContact CB-SD 3.12Å; R140-M190 HydrophobicContact CG-SD 4.27Å; F187-M190 HydrophobicContact CB-CB 4Å; F187-M190 HydrophobicContact CB-CE 3.94Å; F187-M190 HydrophobicContact CD1-CB 4.35Å; F187-M190 HydrophobicContact CD1-CE 3.61Å; F187-M190 HydrophobicContact CD1-SD 4.29Å; F187-M190 HydrophobicContact CD2-CE 3.69Å; F187-M190 HydrophobicContact CE1-CE 3.95Å; F187-M190 HydrophobicContact CE2-CE 4.01Å; F187-M190 HydrophobicContact CG-CB 4.48Å; F187-M190 HydrophobicContact CG-CE 3.49Å; F187-M190 VanDerWaalsContact CG-CE 3.49Å; F187-M190 HydrophobicContact CZ-CE 4.14Å; M190-L193 CarbonylContact O-C 3.58Å; M190-L193 WeakPolarHBondContact O-CB 3.33Å; M190-L193 PolarHBondContact O-N 3.09Å; M190-W194 HydrophobicContact CE-CH2 3.97Å; M190-W194 HydrophobicContact CE-CZ2 3.54Å; M190-W194 HydrophobicContact CG-CZ2 3.93Å; M190-W194 VanDerWaalsContact CG-NE1 3.25Å; M190-W194 PolarHBondContact O-N 3.49Å; M190-W194 HydrophobicContact SD-CZ2 3.72Å
191	I	98.8	Very high	98.7	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-70.2	-44.6	-173	-69.1	170	0	0	0	112.3	A183 P184 F187 A189 L193 W194 M195 V260	A183-I191 HydrophobicContact CB-CG2 3.84Å; P184-I191 HydrophobicContact CG-CD1 3.32Å; F187-I191 HydrophobicContact CB-CD1 3.79Å; F187-I191 HydrophobicContact CB-CG1 3.9Å; F187-I191 HydrophobicContact CD2-CD1 4.21Å; F187-I191 HydrophobicContact CG-CD1 4.48Å; F187-I191 PolarHBondContact O-N 3.48Å; A189-I191 PolarHBondContact O-N 2.85Å; I191-L193 PolarHBondContact O-N 3.29Å; I191-W194 HydrophobicContact CG1-CE3 4.38Å; I191-W194 VanDerWaalsContact O-CB 3.3Å; I191-W194 WeakPolarHBondContact O-CB 3.37Å; I191-W194 PolarHBondContact O-N 2.92Å; I191-M195 HydrophobicContact CG2-CE 3.62Å; I191-M195 WeakPolarHBondContact O-CG 3.37Å; I191-V260 HydrophobicContact CD1-CB 4.23Å; I191-V260 HydrophobicContact CD1-CG1 3.78Å; I191-V260 HydrophobicContact CG2-CB 3.89Å; I191-V260 HydrophobicContact CG2-CG2 3.78Å
192	P	98.8	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-52.8	-41.5	169.1	-28.3	34.3	0	0	0	112.9	A183 F187 P188 A189 W194 M195 F196 M208 T218	A183-P192 HydrophobicContact CB-CG 4.12Å; F187-P192 WeakPolarHBondContact O-CD 3.47Å; P188-P192 WeakPolarHBondContact O-CG 3.48Å; A189-P192 WeakPolarHBondContact O-CD 3.42Å; P192-W194 VanDerWaalsContact C-N 3.27Å; P192-W194 PolarHBondContact O-N 3.48Å; P192-M195 PolarHBondContact O-N 3.38Å; P192-F196 HydrophobicContact CB-CD1 4.26Å; P192-F196 HydrophobicContact CB-CE1 3.94Å; P192-F196 WeakPolarHBondContact O-CD1 2.9Å; P192-F196 WeakPolarHBondContact O-CE1 3.29Å; P192-F196 PolarHBondContact O-N 3.38Å; P192-M208 HydrophobicContact CB-CE 3.6Å; P192-M208 HydrophobicContact CG-CE 3.55Å; P192-T218 HydrophobicContact CB-CG2 4.24Å; P192-T218 HydrophobicContact CG-CG2 4.32Å; P192-T218 WeakPolarHBondContact CG-OG1 3.43Å
193	L	98.8	Very high	98.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-70.6	-18.4	178	-67	174.2	0	0	0	113.9	Y108 I112 V144 V145 A189 M190 I191 M195 F196 P197 L221	Y108-L193 HydrophobicContact CE1-CD2 3.85Å; Y108-L193 VanDerWaalsContact OH-CD2 3.32Å; Y108-L193 WeakPolarHBondContact OH-CD2 3.32Å; I112-L193 HydrophobicContact CD1-CD1 4.28Å; I112-L193 HydrophobicContact CD1-CD2 4.1Å; V144-L193 WeakPolarHBondContact CG1-O 3.48Å; V145-L193 HydrophobicContact CG2-CB 4.48Å; V145-L193 HydrophobicContact CG2-CD2 3.82Å; A189-L193 WeakPolarHBondContact O-CB 3.48Å; A189-L193 WeakPolarHBondContact O-CG 3.21Å; A189-L193 PolarHBondContact O-N 2.88Å; A189-L193 VanDerWaalsContact O-N 3.1Å; M190-L193 CarbonylContact O-C 3.58Å; M190-L193 WeakPolarHBondContact O-CB 3.33Å; M190-L193 PolarHBondContact O-N 3.09Å; I191-L193 PolarHBondContact O-N 3.29Å; L193-M195 PolarHBondContact O-N 2.92Å; L193-F196 HydrophobicContact CD2-CE1 4.16Å; L193-F196 HydrophobicContact CD2-CE2 4.45Å; L193-F196 HydrophobicContact CD2-CZ 3.72Å; L193-P197 HydrophobicContact CB-CG 4.44Å; L193-P197 HydrophobicContact CD2-CG 3.82Å; L193-P197 VanDerWaalsContact O-CD 3.31Å; L193-P197 WeakPolarHBondContact O-CD 3.38Å; L193-P197 WeakPolarHBondContact O-CG 3.43Å; L193-L221 HydrophobicContact CD1-CD1 4.02Å; L193-L221 HydrophobicContact CD1-CD2 4.13Å; L193-L221 HydrophobicContact CD2-CD1 4.11Å; L193-L221 HydrophobicContact CD2-CD2 4.25Å; L193-L221 HydrophobicContact CG-CD1 3.87Å
194	W	98.6	Very high	98.7	Very high	8 Å²	8	5 Å²	5	3%	0.03	3%	0.025	C	C	.	.	H	α-helix	trans	-70.5	-21.8	168	-67.2	4.4	0	0	0	112.9	V144 M190 I191 P192 F484 F497 Y498	V144-W194 HydrophobicContact CG2-CG 4.47Å; M190-W194 HydrophobicContact CE-CH2 3.97Å; M190-W194 HydrophobicContact CE-CZ2 3.54Å; M190-W194 HydrophobicContact CG-CZ2 3.93Å; M190-W194 VanDerWaalsContact CG-NE1 3.25Å; M190-W194 PolarHBondContact O-N 3.49Å; M190-W194 HydrophobicContact SD-CZ2 3.72Å; I191-W194 HydrophobicContact CG1-CE3 4.38Å; I191-W194 VanDerWaalsContact O-CB 3.3Å; I191-W194 WeakPolarHBondContact O-CB 3.37Å; I191-W194 PolarHBondContact O-N 2.92Å; P192-W194 VanDerWaalsContact C-N 3.27Å; P192-W194 PolarHBondContact O-N 3.48Å; W194-F484 HydrophobicContact CH2-CB 4.42Å; W194-F484 AromaticContact CH2-CD2 3.46Å; W194-F484 HydrophobicContact CH2-CD2 3.46Å; W194-F484 VanDerWaalsContact CH2-CD2 3.46Å; W194-F484 AromaticContact CH2-CE2 3.85Å; W194-F484 HydrophobicContact CH2-CE2 3.85Å; W194-F484 HydrophobicContact CH2-CG 4Å; W194-F484 HydrophobicContact CZ2-CD2 4.38Å; W194-F484 HydrophobicContact CZ3-CB 4.2Å; W194-F484 AromaticContact CZ3-CD2 3.9Å; W194-F484 HydrophobicContact CZ3-CD2 3.9Å; W194-F484 HydrophobicContact CZ3-CE2 4.42Å; W194-F484 AromaticContact CZ3-CG 3.95Å; W194-F484 HydrophobicContact CZ3-CG 3.95Å; W194-F497 HydrophobicContact CE3-CB 4.23Å; W194-F497 HydrophobicContact CE3-CD1 4.48Å; W194-F497 HydrophobicContact CE3-CG 4.41Å; W194-Y498 HydrophobicContact CB-CD1 3.98Å; W194-Y498 AromaticContact CD1-CD1 3.92Å; W194-Y498 AromaticContact CD2-CD1 3.56Å; W194-Y498 HydrophobicContact CD2-CD1 3.56Å; W194-Y498 AromaticContact CD2-CE1 3.44Å; W194-Y498 HydrophobicContact CD2-CE1 3.44Å; W194-Y498 VanDerWaalsContact CD2-CE1 3.44Å; W194-Y498 AromaticContact CE2-CD1 3.91Å; W194-Y498 AromaticContact CE2-CE1 3.43Å; W194-Y498 VanDerWaalsContact CE2-CE1 3.43Å; W194-Y498 AromaticContact CE3-CD1 3.99Å; W194-Y498 HydrophobicContact CE3-CD1 3.99Å; W194-Y498 AromaticContact CE3-CE1 3.69Å; W194-Y498 HydrophobicContact CE3-CE1 3.69Å; W194-Y498 AromaticContact CG-CD1 3.57Å; W194-Y498 HydrophobicContact CG-CD1 3.57Å; W194-Y498 AromaticContact CG-CE1 3.95Å; W194-Y498 HydrophobicContact CG-CE1 3.95Å; W194-Y498 AromaticContact CH2-CE1 3.95Å; W194-Y498 HydrophobicContact CH2-CE1 3.95Å; W194-Y498 AromaticContact CZ2-CE1 3.7Å; W194-Y498 HydrophobicContact CZ2-CE1 3.7Å; W194-Y498 AromaticContact CZ3-CE1 3.94Å; W194-Y498 HydrophobicContact CZ3-CE1 3.94Å; W194-Y498 AromaticContact NE1-CE1 3.88Å
195	M	98.8	Very high	98.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-105.4	-77.5	-168.8	-57.9	-176.8	-173.9	0	0	112.4	G181 I191 P192 L193 M198 A199 F206 M208 V260 F497 Y506	G181-M195 VanDerWaalsContact CA-SD 3.57Å; I191-M195 HydrophobicContact CG2-CE 3.62Å; I191-M195 WeakPolarHBondContact O-CG 3.37Å; P192-M195 PolarHBondContact O-N 3.38Å; L193-M195 PolarHBondContact O-N 2.92Å; M195-M198 PolarHBondContact O-N 3.4Å; M195-A199 PolarHBondContact O-N 3.01Å; M195-A199 VanDerWaalsContact O-N 3.08Å; M195-F206 HydrophobicContact CB-CE1 4.29Å; M195-F206 HydrophobicContact CB-CE2 4.39Å; M195-F206 HydrophobicContact CB-CZ 3.69Å; M195-M208 HydrophobicContact SD-SD 4.49Å; M195-V260 HydrophobicContact CE-CB 4.38Å; M195-V260 HydrophobicContact CE-CG2 3.74Å; M195-F497 HydrophobicContact CE-CE1 4Å; M195-Y506 WeakPolarHBondContact CA-OH 3.35Å
196	F	98.8	Very high	98.7	Very high	2 Å²	2	2.9 Å²	2.9	1%	0.009	1%	0.014	C	C	.	.	H	α-helix	trans	-65.8	-35.9	-166.3	73.4	-99.5	0	0	0	114	Y108 P192 L193 M198 A199 M200 F206 L225 L235	Y108-F196 HydrophobicContact CE1-CE2 4.05Å; Y108-F196 HydrophobicContact CE1-CZ 4.33Å; Y108-F196 VanDerWaalsContact OH-CZ 3.31Å; Y108-F196 WeakPolarHBondContact OH-CZ 3.11Å; P192-F196 HydrophobicContact CB-CD1 4.26Å; P192-F196 HydrophobicContact CB-CE1 3.94Å; P192-F196 WeakPolarHBondContact O-CD1 2.9Å; P192-F196 WeakPolarHBondContact O-CE1 3.29Å; P192-F196 PolarHBondContact O-N 3.38Å; L193-F196 HydrophobicContact CD2-CE1 4.16Å; L193-F196 HydrophobicContact CD2-CE2 4.45Å; L193-F196 HydrophobicContact CD2-CZ 3.72Å; F196-M198 VanDerWaalsContact C-N 3.35Å; F196-M198 PolarHBondContact O-N 3.18Å; F196-A199 PolarHBondContact O-N 3.09Å; F196-M200 HydrophobicContact CD2-SD 4.1Å; F196-M200 VanDerWaalsContact O-CB 3.26Å; F196-M200 WeakPolarHBondContact O-CB 3.22Å; F196-M200 VanDerWaalsContact O-CG 3.23Å; F196-M200 WeakPolarHBondContact O-CG 3.45Å; F196-M200 PolarHBondContact O-N 3.26Å; F196-F206 HydrophobicContact CB-CB 4.04Å; F196-F206 HydrophobicContact CB-CD1 3.41Å; F196-F206 VanDerWaalsContact CB-CD1 3.41Å; F196-F206 HydrophobicContact CB-CD2 4.14Å; F196-F206 HydrophobicContact CB-CE1 3.83Å; F196-F206 HydrophobicContact CB-CE2 4.49Å; F196-F206 HydrophobicContact CB-CG 3.58Å; F196-F206 HydrophobicContact CB-CZ 4.35Å; F196-L225 HydrophobicContact CD2-CD2 4.11Å; F196-L225 HydrophobicContact CE2-CD2 3.86Å; F196-L235 HydrophobicContact CB-CD1 4.1Å; F196-L235 HydrophobicContact CD2-CD1 4.44Å; F196-L235 HydrophobicContact CD2-CD2 4.37Å; F196-L235 HydrophobicContact CE2-CD2 4.39Å; F196-L235 HydrophobicContact CG-CD1 4.13Å
197	P	98.7	Very high	98.7	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-62.7	-43.2	177.8	-22.5	35.3	0	0	0	111.8	L105 Y108 V145 L193 M200 V201	L105-P197 HydrophobicContact CD1-CB 4.34Å; Y108-P197 HydrophobicContact CE1-CG 4.36Å; V145-P197 HydrophobicContact CG2-CB 4.13Å; V145-P197 HydrophobicContact CG2-CG 3.98Å; L193-P197 HydrophobicContact CB-CG 4.44Å; L193-P197 HydrophobicContact CD2-CG 3.82Å; L193-P197 VanDerWaalsContact O-CD 3.31Å; L193-P197 WeakPolarHBondContact O-CD 3.38Å; L193-P197 WeakPolarHBondContact O-CG 3.43Å; P197-M200 PolarHBondContact O-N 3.47Å; P197-V201 WeakPolarHBondContact O-CB 3.42Å; P197-V201 PolarHBondContact O-N 3.1Å
198	M	98.6	Very high	98.7	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-64	-46	177.5	-68.7	-60.5	-63.4	0	0	111.5	V144 A148 M195 F196 M200 V201 C202 I503 Y506	V144-M198 HydrophobicContact CG1-CG 3.89Å; V144-M198 HydrophobicContact CG1-SD 4.11Å; A148-M198 HydrophobicContact CB-SD 3.67Å; M195-M198 PolarHBondContact O-N 3.4Å; F196-M198 VanDerWaalsContact C-N 3.35Å; F196-M198 PolarHBondContact O-N 3.18Å; M198-M200 PolarHBondContact O-N 2.96Å; M198-V201 WeakPolarHBondContact O-CG1 3.23Å; M198-C202 PolarHBondContact O-N 3.07Å; M198-C202 PolarHBondContact O-SG 3.12Å; M198-I503 HydrophobicContact CE-CD1 3.46Å; M198-I503 VanDerWaalsContact CE-CD1 3.46Å; M198-I503 HydrophobicContact CE-CG1 3.75Å; M198-Y506 HydrophobicContact CB-CD2 3.92Å; M198-Y506 HydrophobicContact CB-CE2 3.83Å
199	A	98.8	Very high	98.8	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-62.3	-45	178	0	0	0	0	0	112	C179 M195 F196 C202 G203 N204 F206 Y506	C179-A199 HydrophobicContact CB-CB 4.39Å; M195-A199 PolarHBondContact O-N 3.01Å; M195-A199 VanDerWaalsContact O-N 3.08Å; F196-A199 PolarHBondContact O-N 3.09Å; A199-C202 WeakPolarHBondContact O-CB 3.38Å; A199-C202 PolarHBondContact O-N 3.39Å; A199-G203 PolarHBondContact O-N 3.23Å; A199-N204 HydrophobicContact CB-CB 4.34Å; A199-N204 VanDerWaalsContact O-CB 3.26Å; A199-N204 WeakPolarHBondContact O-CB 3.47Å; A199-N204 PolarHBondContact O-N 3.06Å; A199-N204 PolarHBondContact O-ND2 2.79Å; A199-F206 HydrophobicContact CB-CD2 3.36Å; A199-F206 HydrophobicContact CB-CE2 3.66Å; A199-F206 HydrophobicContact CB-CG 4.47Å; A199-Y506 HydrophobicContact CB-CD1 3.67Å; A199-Y506 HydrophobicContact CB-CD2 3.98Å; A199-Y506 HydrophobicContact CB-CE1 3.68Å; A199-Y506 HydrophobicContact CB-CE2 4.01Å; A199-Y506 HydrophobicContact CB-CG 3.81Å
200	M	98.7	Very high	98.8	Very high	2 Å²	2	1.8 Å²	1.8	1%	0.01	1%	0.008	C	C	.	.	H	α-helix	trans	-68.5	-39.8	-177.6	-74.1	179.8	56.9	0	0	112.5	W93 F196 P197 M198 C202 G203 N204 F206 L225 A230 T234 L235	W93-M200 WeakPolarHBondContact CZ2-O 3.27Å; W93-M200 PolarHBondContact NE1-O 2.89Å; F196-M200 HydrophobicContact CD2-SD 4.1Å; F196-M200 VanDerWaalsContact O-CB 3.26Å; F196-M200 WeakPolarHBondContact O-CB 3.22Å; F196-M200 VanDerWaalsContact O-CG 3.23Å; F196-M200 WeakPolarHBondContact O-CG 3.45Å; F196-M200 PolarHBondContact O-N 3.26Å; P197-M200 PolarHBondContact O-N 3.47Å; M198-M200 PolarHBondContact O-N 2.96Å; M200-C202 PolarHBondContact O-N 3.42Å; M200-G203 WeakPolarHBondContact O-CA 3.29Å; M200-G203 PolarHBondContact O-N 2.84Å; M200-N204 WeakPolarHBondContact CA-O 3.4Å; M200-F206 HydrophobicContact CG-CB 4.38Å; M200-L225 HydrophobicContact CE-CD1 4.28Å; M200-L225 HydrophobicContact CE-CD2 3.81Å; M200-L225 HydrophobicContact CE-CG 4.39Å; M200-L225 HydrophobicContact SD-CD2 3.75Å; M200-A230 HydrophobicContact CE-CB 4.25Å; M200-T234 VanDerWaalsContact CE-OG1 3.23Å; M200-T234 WeakPolarHBondContact CE-OG1 3.42Å; M200-L235 HydrophobicContact SD-CB 4.08Å
201	V	98.5	Very high	98.8	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.006	1%	0.008	C	C	.	.	H	α-helix	trans	-66.1	-30	178.3	86.7	0	0	0	0	112.1	R101 L105 A148 V151 P197 M198 G203	R101-V201 PolarHBondContact NE-O 3.02Å; R101-V201 PolarHBondContact NH2-O 3.15Å; L105-V201 HydrophobicContact CD1-CB 3.6Å; L105-V201 HydrophobicContact CD1-CG1 4.39Å; L105-V201 HydrophobicContact CD1-CG2 3.65Å; L105-V201 HydrophobicContact CG-CB 4.39Å; L105-V201 HydrophobicContact CG-CG2 4.15Å; A148-V201 HydrophobicContact CB-CG1 4.13Å; V151-V201 HydrophobicContact CB-CB 4.44Å; V151-V201 HydrophobicContact CB-CG1 4.04Å; V151-V201 HydrophobicContact CB-CG2 3.62Å; V151-V201 HydrophobicContact CG1-CG2 3.58Å; V151-V201 HydrophobicContact CG2-CB 4.3Å; V151-V201 HydrophobicContact CG2-CG1 3.84Å; V151-V201 HydrophobicContact CG2-CG2 3.81Å; P197-V201 WeakPolarHBondContact O-CB 3.42Å; P197-V201 PolarHBondContact O-N 3.1Å; M198-V201 WeakPolarHBondContact O-CG1 3.23Å; V201-G203 PolarHBondContact O-N 2.68Å
202	C	98.7	Very high	98.7	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.4	170.1	-67.9	0	0	0	0	113.8	M155 P175 M198 A199 M200 I503 T507	M155-C202 HydrophobicContact SD-CB 4.24Å; P175-C202 WeakPolarHBondContact CB-O 3.47Å; M198-C202 PolarHBondContact O-N 3.07Å; M198-C202 PolarHBondContact O-SG 3.12Å; A199-C202 WeakPolarHBondContact O-CB 3.38Å; A199-C202 PolarHBondContact O-N 3.39Å; M200-C202 PolarHBondContact O-N 3.42Å; C202-I503 VanDerWaalsContact SG-CD1 3.58Å; C202-T507 HydrophobicContact CB-CG2 3.8Å
203	G	98.7	Very high	98.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	99	9.7	179.6	0	0	0	0	0	114.8	F90 A199 M200 V201	F90-G203 WeakPolarHBondContact CE2-O 3.34Å; A199-G203 PolarHBondContact O-N 3.23Å; M200-G203 WeakPolarHBondContact O-CA 3.29Å; M200-G203 PolarHBondContact O-N 2.84Å; V201-G203 PolarHBondContact O-N 2.68Å
204	N	98.9	Very high	98.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.03	C	C	.	.			trans	-84.3	160.4	176.3	-56.5	-78.8	0	0	0	111.8	W93 P175 L176 G177 A199 M200 Y506	W93-N204 PolarHBondContact NE1-O 3.14Å; P175-N204 WeakPolarHBondContact CB-OD1 3.37Å; L176-N204 WeakPolarHBondContact CA-OD1 3.43Å; L176-N204 PolarHBondContact N-OD1 2.73Å; G177-N204 PolarHBondContact N-OD1 3.02Å; G177-N204 VanDerWaalsContact N-OD1 3.12Å; G177-N204 WeakPolarHBondContact O-CA 3.46Å; G177-N204 WeakPolarHBondContact O-CB 3.18Å; A199-N204 HydrophobicContact CB-CB 4.34Å; A199-N204 VanDerWaalsContact O-CB 3.26Å; A199-N204 WeakPolarHBondContact O-CB 3.47Å; A199-N204 PolarHBondContact O-N 3.06Å; A199-N204 PolarHBondContact O-ND2 2.79Å; M200-N204 WeakPolarHBondContact CA-O 3.4Å; N204-Y506 PolarHBondContact ND2-O 3.05Å
205	T	98.9	Very high	98.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	158.1	161.4	57.3	0	0	0	0	109.6	C86 A89 F90 G177 C179 T234	C86-T205 WeakPolarHBondContact CB-OG1 3.39Å; C86-T205 WeakPolarHBondContact O-CG2 3.3Å; C86-T205 PolarHBondContact O-OG1 3.21Å; A89-T205 HydrophobicContact CB-CG2 4.12Å; F90-T205 HydrophobicContact CB-CG2 3.87Å; F90-T205 HydrophobicContact CD2-CG2 4.44Å; G177-T205 PolarHBondContact O-N 2.88Å; C179-T205 PolarHBondContact N-O 2.88Å; T205-T234 CarbonylContact C-O 3.5Å; T205-T234 WeakPolarHBondContact CA-O 3.23Å; T205-T234 HydrophobicContact CG2-CG2 4.35Å
206	F	98.9	Very high	98.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.5	-167.7	-152.2	-90.5	0	0	0	113.1	C179 A180 G181 M195 F196 A199 M200 M208 T234 L235 N236 Y506	C179-F206 HydrophobicContact CB-CD2 3.74Å; C179-F206 HydrophobicContact CB-CE2 3.86Å; C179-F206 CarbonylContact O-C 3.6Å; C179-F206 WeakPolarHBondContact O-CA 3.4Å; A180-F206 VanDerWaalsContact C-CZ 3.42Å; G181-F206 VanDerWaalsContact N-CE1 3.31Å; G181-F206 VanDerWaalsContact N-CZ 3.3Å; M195-F206 HydrophobicContact CB-CE1 4.29Å; M195-F206 HydrophobicContact CB-CE2 4.39Å; M195-F206 HydrophobicContact CB-CZ 3.69Å; F196-F206 HydrophobicContact CB-CB 4.04Å; F196-F206 HydrophobicContact CB-CD1 3.41Å; F196-F206 VanDerWaalsContact CB-CD1 3.41Å; F196-F206 HydrophobicContact CB-CD2 4.14Å; F196-F206 HydrophobicContact CB-CE1 3.83Å; F196-F206 HydrophobicContact CB-CE2 4.49Å; F196-F206 HydrophobicContact CB-CG 3.58Å; F196-F206 HydrophobicContact CB-CZ 4.35Å; A199-F206 HydrophobicContact CB-CD2 3.36Å; A199-F206 HydrophobicContact CB-CE2 3.66Å; A199-F206 HydrophobicContact CB-CG 4.47Å; M200-F206 HydrophobicContact CG-CB 4.38Å; F206-M208 HydrophobicContact CD1-CB 4.15Å; F206-M208 HydrophobicContact CE1-CB 4.23Å; F206-M208 HydrophobicContact CE1-SD 3.93Å; F206-T234 PolarHBondContact N-O 2.93Å; F206-L235 HydrophobicContact CB-CD1 4.22Å; F206-L235 HydrophobicContact CD1-CD1 4.25Å; F206-L235 CarbonylContact O-C 3.5Å; F206-L235 WeakPolarHBondContact O-CA 3.25Å; F206-N236 PolarHBondContact O-N 3.37Å; F206-Y506 HydrophobicContact CE2-CE1 4.1Å
207	L	98.9	Very high	98.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.6	167.7	-179.4	66	0	0	0	109.7	A82 I83 C179 A180 G181 N236 I238 F247 I248 I254	A82-L207 HydrophobicContact CB-CD1 3.8Å; I83-L207 HydrophobicContact CD1-CB 4.23Å; I83-L207 HydrophobicContact CD1-CD2 3.54Å; I83-L207 HydrophobicContact CD1-CG 4.42Å; I83-L207 HydrophobicContact CG1-CD2 4.03Å; C179-L207 PolarHBondContact O-N 3.09Å; A180-L207 CarbonylContact C-O 3.54Å; A180-L207 WeakPolarHBondContact CA-O 3.25Å; A180-L207 HydrophobicContact CB-CB 4.37Å; G181-L207 PolarHBondContact N-O 3.04Å; L207-N236 WeakPolarHBondContact CA-O 3.39Å; L207-N236 HydrophobicContact CD1-CB 4.11Å; L207-I238 HydrophobicContact CD1-CB 4.48Å; L207-I238 HydrophobicContact CD1-CD1 4.25Å; L207-I238 HydrophobicContact CD1-CG1 3.93Å; L207-I238 HydrophobicContact CD1-CG2 3.95Å; L207-I238 HydrophobicContact CD2-CD1 3.94Å; L207-I238 HydrophobicContact CD2-CG1 4.44Å; L207-I238 HydrophobicContact CG-CD1 4.35Å; L207-I238 HydrophobicContact CG-CG1 4.3Å; L207-F247 HydrophobicContact CD2-CD1 4.49Å; L207-F247 HydrophobicContact CD2-CE1 4.08Å; L207-I248 HydrophobicContact CD2-CD1 4.5Å; L207-I248 HydrophobicContact CD2-CG1 3.99Å; L207-I254 HydrophobicContact CD2-CD1 4.4Å
208	M	98.9	Very high	98.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	-179.6	-175.6	66.5	-172.7	0	0	111	A183 P192 M195 F206 P210 T218 L235 N236 I237 I238	A183-M208 HydrophobicContact CB-CE 3.33Å; P192-M208 HydrophobicContact CB-CE 3.6Å; P192-M208 HydrophobicContact CG-CE 3.55Å; M195-M208 HydrophobicContact SD-SD 4.49Å; F206-M208 HydrophobicContact CD1-CB 4.15Å; F206-M208 HydrophobicContact CE1-CB 4.23Å; F206-M208 HydrophobicContact CE1-SD 3.93Å; M208-P210 HydrophobicContact CE-CB 4.48Å; M208-T218 HydrophobicContact CG-CG2 4.17Å; M208-L235 HydrophobicContact CB-CD1 4.17Å; M208-N236 PolarHBondContact N-O 3.42Å; M208-I237 HydrophobicContact CB-CG1 4.18Å; M208-I237 VanDerWaalsContact O-CA 3.32Å; M208-I237 WeakPolarHBondContact O-CA 3.35Å; M208-I238 PolarHBondContact O-N 2.78Å
209	K	98.8	Very high	98.6	Very high	7 Å²	7	6.8 Å²	6.8	3%	0.03	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	93.4	165.5	-169.3	-125.9	98	76.7	0	109.8	G181 I182 A183 E212 I238 G240 A244 V245 I248	G181-K209 PolarHBondContact O-N 3.01Å; I182-K209 WeakPolarHBondContact CA-O 3.48Å; I182-K209 HydrophobicContact CG1-CB 4.42Å; I182-K209 HydrophobicContact CG2-CD 4.37Å; A183-K209 PolarHBondContact N-O 2.67Å; A183-K209 VanDerWaalsContact N-O 3.12Å; K209-E212 IonicContact NZ-OE2 3.93Å; K209-E212 PolarHBondContact NZ-OE2 2.86Å; K209-I238 WeakPolarHBondContact CA-O 3.49Å; K209-I238 HydrophobicContact CB-CG1 4.45Å; K209-G240 PolarHBondContact NZ-O 2.81Å; K209-A244 HydrophobicContact CD-CB 4.37Å; K209-A244 HydrophobicContact CG-CB 4.37Å; K209-V245 HydrophobicContact CD-CG2 4.12Å; K209-I248 HydrophobicContact CB-CD1 3.85Å
210	P	98.6	Very high	98.6	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.013	3%	0.029	C	C	.	.			trans	-69.5	166.6	173.4	31.6	-34.6	0	0	0	110.5	M208 E212 T218 I237	M208-P210 HydrophobicContact CE-CB 4.48Å; P210-E212 PolarHBondContact O-N 3.34Å; P210-T218 HydrophobicContact CB-CG2 4.07Å; P210-T218 HydrophobicContact CG-CG2 4.18Å; P210-I237 HydrophobicContact CG-CG2 3.98Å
211	S	98.6	Very high	98.6	Very high	9 Å²	9	6.8 Å²	6.8	6%	0.063	3%	0.029	C	C	.	.			trans	-61	133.2	171.1	-178.6	0	0	0	0	110.3	A183 R213 V214	A183-S211 PolarHBondContact O-N 2.98Å; S211-R213 PolarHBondContact O-N 2.7Å; S211-R213 VanDerWaalsContact O-N 3.13Å; S211-R213 PolarHBondContact OG-N 2.92Å; S211-V214 PolarHBondContact O-N 2.92Å
212	E	98.1	Very high	98.6	Very high	24 Å²	24	6.8 Å²	6.8	11%	0.112	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.8	175.3	63.9	-85.1	-164.5	0	0	113.2	I57 V71 K209 P210 Q241	I57-E212 HydrophobicContact CD1-CB 4.03Å; I57-E212 HydrophobicContact CD1-CG 4.02Å; I57-E212 HydrophobicContact CG2-CG 4.26Å; V71-E212 HydrophobicContact CG1-CB 3.73Å; V71-E212 VanDerWaalsContact CG1-O 3.3Å; V71-E212 WeakPolarHBondContact CG1-O 3.25Å; K209-E212 IonicContact NZ-OE2 3.93Å; K209-E212 PolarHBondContact NZ-OE2 2.86Å; P210-E212 PolarHBondContact O-N 3.34Å; E212-Q241 HydrophobicContact CG-CG 4.13Å; E212-Q241 WeakPolarHBondContact OE1-CG 3.42Å; E212-Q241 PolarHBondContact OE1-NE2 2.85Å
213	R	98.1	Very high	98.6	Very high	96 Å²	96	8.5 Å²	8.5	36%	0.362	4%	0.036	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-23.3	179.1	-60.1	-177.6	-177.9	134.7	1.5	113.5	F185 S211 I359	F185-R213 HydrophobicContact CB-CB 4.31Å; S211-R213 PolarHBondContact O-N 2.7Å; S211-R213 VanDerWaalsContact O-N 3.13Å; S211-R213 PolarHBondContact OG-N 2.92Å; R213-I359 HydrophobicContact CB-CD1 4.27Å; R213-I359 HydrophobicContact CB-CG1 4.28Å
214	V	98.4	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-145.4	51.3	-168.6	-67.3	0	0	0	0	112.4	E126 Q127 F185 P188 S211 G216 I359	E126-V214 HydrophobicContact CB-CB 4.21Å; E126-V214 HydrophobicContact CB-CG1 3.89Å; E126-V214 WeakPolarHBondContact OE2-CA 3.5Å; Q127-V214 HydrophobicContact CB-CG1 3.69Å; Q127-V214 HydrophobicContact CG-CG1 4.13Å; F185-V214 VanDerWaalsContact CA-CG2 3.44Å; F185-V214 HydrophobicContact CB-CG2 3.84Å; F185-V214 WeakPolarHBondContact O-CG2 3.29Å; P188-V214 HydrophobicContact CB-CB 3.92Å; P188-V214 HydrophobicContact CB-CG2 3.63Å; P188-V214 WeakPolarHBondContact CB-O 3.46Å; P188-V214 HydrophobicContact CG-CB 4.08Å; P188-V214 HydrophobicContact CG-CG2 4.11Å; S211-V214 PolarHBondContact O-N 2.92Å; V214-G216 VanDerWaalsContact C-N 3.34Å; V214-G216 PolarHBondContact O-N 3.03Å; V214-I359 HydrophobicContact CG1-CD1 4.01Å
215	P	98.3	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-73.4	-24.2	-172	32.4	-36.5	0	0	0	113.4	V40 I59 V71 E126 A217 T218 M219	V40-P215 HydrophobicContact CB-CG 4.46Å; V40-P215 HydrophobicContact CG1-CB 4.1Å; V40-P215 HydrophobicContact CG1-CG 4.12Å; V40-P215 HydrophobicContact CG2-CG 3.85Å; I59-P215 HydrophobicContact CD1-CG 3.58Å; I59-P215 HydrophobicContact CG1-CG 4.49Å; V71-P215 HydrophobicContact CG2-CG 4.44Å; E126-P215 WeakPolarHBondContact OE2-CD 3.08Å; P215-A217 PolarHBondContact O-N 2.85Å; P215-T218 PolarHBondContact O-N 2.79Å; P215-M219 WeakPolarHBondContact O-CG 3.43Å; P215-M219 PolarHBondContact O-N 3.27Å
216	G	98.1	Very high	98.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.8	-44.2	-163.7	0	0	0	0	0	113.7	E126 V214 T218 M219 L220	E126-G216 VanDerWaalsContact OE1-CA 3.31Å; E126-G216 WeakPolarHBondContact OE1-CA 3.34Å; E126-G216 PolarHBondContact OE1-N 3.21Å; E126-G216 WeakPolarHBondContact OE2-CA 3.46Å; E126-G216 PolarHBondContact OE2-N 3.17Å; V214-G216 VanDerWaalsContact C-N 3.34Å; V214-G216 PolarHBondContact O-N 3.03Å; G216-T218 PolarHBondContact O-N 2.98Å; G216-M219 PolarHBondContact O-N 3.11Å; G216-L220 PolarHBondContact O-N 2.99Å
217	A	98.6	Very high	98.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62	-43.6	178.7	0	0	0	0	0	112	I119 I123 P188 P215 M219 L220 L221	I119-A217 HydrophobicContact CG2-CB 3.98Å; I123-A217 HydrophobicContact CD1-CB 4.31Å; I123-A217 HydrophobicContact CG1-CB 3.65Å; P188-A217 HydrophobicContact CB-CB 4.21Å; P188-A217 HydrophobicContact CG-CB 4.29Å; P215-A217 PolarHBondContact O-N 2.85Å; A217-M219 VanDerWaalsContact C-N 3.33Å; A217-M219 PolarHBondContact O-N 3.28Å; A217-L220 PolarHBondContact O-N 2.8Å; A217-L221 VanDerWaalsContact O-CG 3.27Å; A217-L221 WeakPolarHBondContact O-CG 3.32Å; A217-L221 PolarHBondContact O-N 3.45Å
218	T	98.7	Very high	98.2	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-65.8	-36.1	177.1	-55.7	0	0	0	0	111.7	P188 P192 M208 P210 P215 G216 L221 A222 I237	P188-T218 PolarHBondContact O-OG1 3.05Å; P192-T218 HydrophobicContact CB-CG2 4.24Å; P192-T218 HydrophobicContact CG-CG2 4.32Å; P192-T218 WeakPolarHBondContact CG-OG1 3.43Å; M208-T218 HydrophobicContact CG-CG2 4.17Å; P210-T218 HydrophobicContact CB-CG2 4.07Å; P210-T218 HydrophobicContact CG-CG2 4.18Å; P215-T218 PolarHBondContact O-N 2.79Å; G216-T218 PolarHBondContact O-N 2.98Å; T218-L221 WeakPolarHBondContact O-CB 3.17Å; T218-L221 PolarHBondContact O-N 2.85Å; T218-A222 PolarHBondContact O-N 2.89Å; T218-I237 HydrophobicContact CG2-CD1 3.91Å
219	M	98.7	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.4	-39.4	177.2	-63.3	-53.1	-70.4	0	0	112.6	W27 V40 K41 F43 F48 P215 G216 A217 A222 K223 I237	W27-M219 HydrophobicContact CB-CB 4.15Å; W27-M219 HydrophobicContact CB-CE 4.35Å; W27-M219 HydrophobicContact CD2-CB 4.06Å; W27-M219 HydrophobicContact CG-CB 3.68Å; W27-M219 HydrophobicContact CG-CG 4.5Å; V40-M219 HydrophobicContact CG1-CG 4.08Å; K41-M219 WeakPolarHBondContact O-CE 3.34Å; F43-M219 HydrophobicContact CB-CE 3.94Å; F48-M219 HydrophobicContact CD1-CE 3.7Å; F48-M219 HydrophobicContact CE1-CE 3.73Å; P215-M219 WeakPolarHBondContact O-CG 3.43Å; P215-M219 PolarHBondContact O-N 3.27Å; G216-M219 PolarHBondContact O-N 3.11Å; A217-M219 VanDerWaalsContact C-N 3.33Å; A217-M219 PolarHBondContact O-N 3.28Å; M219-A222 WeakPolarHBondContact O-CB 3.14Å; M219-A222 PolarHBondContact O-N 3.37Å; M219-K223 PolarHBondContact O-N 3.17Å; M219-K223 VanDerWaalsContact O-N 3.1Å; M219-I237 HydrophobicContact SD-CB 4.16Å; M219-I237 HydrophobicContact SD-CD1 3.68Å; M219-I237 HydrophobicContact SD-CG2 3.84Å
220	L	98.6	Very high	98	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	6%	0.06	C	C	.	.	H	α-helix	trans	-63.6	-43.2	172	174.8	50.1	0	0	0	111	W27 E118 I119 L122 G216 A217 A222 K223 L224	W27-L220 HydrophobicContact CH2-CB 3.59Å; W27-L220 HydrophobicContact CH2-CD1 3.5Å; W27-L220 HydrophobicContact CH2-CD2 4.32Å; W27-L220 HydrophobicContact CH2-CG 3.94Å; W27-L220 HydrophobicContact CZ2-CB 3.62Å; W27-L220 HydrophobicContact CZ2-CD1 4.38Å; W27-L220 HydrophobicContact CZ2-CG 4.36Å; W27-L220 HydrophobicContact CZ3-CB 4.29Å; W27-L220 HydrophobicContact CZ3-CD1 3.98Å; E118-L220 HydrophobicContact CB-CD2 4.39Å; E118-L220 HydrophobicContact CG-CD2 4.19Å; I119-L220 HydrophobicContact CB-CD2 4.25Å; I119-L220 HydrophobicContact CG1-CD2 3.47Å; I119-L220 VanDerWaalsContact CG1-CD2 3.47Å; I119-L220 HydrophobicContact CG1-CG 3.92Å; L122-L220 HydrophobicContact CD1-CB 3.96Å; L122-L220 HydrophobicContact CD1-CD2 3.78Å; G216-L220 PolarHBondContact O-N 2.99Å; A217-L220 PolarHBondContact O-N 2.8Å; L220-A222 VanDerWaalsContact C-N 3.27Å; L220-A222 PolarHBondContact O-N 3.01Å; L220-K223 WeakPolarHBondContact O-CB 3.06Å; L220-K223 PolarHBondContact O-N 3.45Å; L220-L224 HydrophobicContact CD1-CD1 4.29Å; L220-L224 HydrophobicContact CD1-CD2 4.22Å; L220-L224 HydrophobicContact CD1-CG 3.99Å; L220-L224 HydrophobicContact CG-CD1 4.35Å; L220-L224 HydrophobicContact CG-CG 4.49Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 2.92Å
221	L	98.8	Very high	98	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.8	-38.7	174.8	-71.6	173.8	0	0	0	112.3	Y108 I112 I119 A189 L193 A217 T218 L224 L225	Y108-L221 WeakPolarHBondContact CE2-O 3.47Å; Y108-L221 WeakPolarHBondContact OH-CB 3.23Å; Y108-L221 PolarHBondContact OH-O 3.42Å; I112-L221 HydrophobicContact CD1-CD2 4.23Å; I112-L221 HydrophobicContact CG1-CD2 3.92Å; I119-L221 HydrophobicContact CD1-CD2 3.84Å; A189-L221 HydrophobicContact CB-CD1 4.04Å; L193-L221 HydrophobicContact CD1-CD1 4.02Å; L193-L221 HydrophobicContact CD1-CD2 4.13Å; L193-L221 HydrophobicContact CD2-CD1 4.11Å; L193-L221 HydrophobicContact CD2-CD2 4.25Å; L193-L221 HydrophobicContact CG-CD1 3.87Å; A217-L221 VanDerWaalsContact O-CG 3.27Å; A217-L221 WeakPolarHBondContact O-CG 3.32Å; A217-L221 PolarHBondContact O-N 3.45Å; T218-L221 WeakPolarHBondContact O-CB 3.17Å; T218-L221 PolarHBondContact O-N 2.85Å; L221-L224 PolarHBondContact O-N 2.94Å; L221-L225 WeakPolarHBondContact O-CB 3.43Å; L221-L225 PolarHBondContact O-N 3.21Å
222	A	98.6	Very high	98	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-64.9	-39.3	174.1	0	0	0	0	0	113	F43 T218 M219 L220 L225 Q226 L235 I237	F43-A222 HydrophobicContact CD1-CB 4.09Å; F43-A222 HydrophobicContact CD2-CB 4.46Å; F43-A222 HydrophobicContact CE1-CB 4.26Å; F43-A222 HydrophobicContact CG-CB 4.19Å; T218-A222 PolarHBondContact O-N 2.89Å; M219-A222 WeakPolarHBondContact O-CB 3.14Å; M219-A222 PolarHBondContact O-N 3.37Å; L220-A222 VanDerWaalsContact C-N 3.27Å; L220-A222 PolarHBondContact O-N 3.01Å; A222-L225 PolarHBondContact O-N 3.29Å; A222-Q226 PolarHBondContact O-N 3.1Å; A222-L235 HydrophobicContact CB-CD2 3.88Å; A222-I237 HydrophobicContact CB-CD1 3.54Å
223	K	98.1	Very high	98	Very high	35 Å²	35	16 Å²	16	15%	0.152	8%	0.079	C	C	.	.	H	α-helix	trans	-59.8	-47.6	173	-176.9	66.8	179.2	73.1	0	111.1	W27 F48 M219 L220 L225 Q226 D227	W27-K223 HydrophobicContact CE3-CB 4.46Å; W27-K223 HydrophobicContact CZ3-CB 4.14Å; W27-K223 HydrophobicContact CZ3-CG 4.4Å; F48-K223 HydrophobicContact CE2-CB 4.36Å; F48-K223 HydrophobicContact CE2-CD 3.66Å; F48-K223 HydrophobicContact CZ-CB 3.85Å; F48-K223 HydrophobicContact CZ-CD 4.04Å; M219-K223 PolarHBondContact O-N 3.17Å; M219-K223 VanDerWaalsContact O-N 3.1Å; L220-K223 WeakPolarHBondContact O-CB 3.06Å; L220-K223 PolarHBondContact O-N 3.45Å; K223-L225 VanDerWaalsContact C-N 3.29Å; K223-L225 PolarHBondContact O-N 3Å; K223-Q226 WeakPolarHBondContact O-CB 3.27Å; K223-Q226 PolarHBondContact O-N 3.36Å; K223-D227 IonicContact NZ-OD1 2.76Å; K223-D227 PolarHBondContact NZ-OD1 3.31Å; K223-D227 IonicContact NZ-OD2 2.71Å; K223-D227 PolarHBondContact NZ-OD2 3.24Å; K223-D227 PolarHBondContact O-N 2.9Å
224	L	98.6	Very high	98	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.7	-34.4	179.8	-62.4	178.4	0	0	0	111.7	V21 Y108 L111 I112 N115 I119 L220 L221 D227 S228	V21-L224 HydrophobicContact CG2-CD2 3.91Å; Y108-L224 HydrophobicContact CD2-CB 4.22Å; Y108-L224 HydrophobicContact CE2-CB 3.84Å; L111-L224 HydrophobicContact CB-CB 4.3Å; L111-L224 HydrophobicContact CB-CD2 4.3Å; L111-L224 VanDerWaalsContact CD1-O 3.3Å; L111-L224 WeakPolarHBondContact CD1-O 3.35Å; I112-L224 HydrophobicContact CG1-CD1 4.4Å; N115-L224 HydrophobicContact CB-CD1 3.98Å; N115-L224 HydrophobicContact CB-CD2 4.34Å; I119-L224 HydrophobicContact CD1-CD1 3.96Å; L220-L224 HydrophobicContact CD1-CD1 4.29Å; L220-L224 HydrophobicContact CD1-CD2 4.22Å; L220-L224 HydrophobicContact CD1-CG 3.99Å; L220-L224 HydrophobicContact CG-CD1 4.35Å; L220-L224 HydrophobicContact CG-CG 4.49Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 2.92Å; L221-L224 PolarHBondContact O-N 2.94Å; L224-D227 PolarHBondContact O-N 2.88Å; L224-S228 PolarHBondContact O-N 3.14Å
225	L	98.4	Very high	98	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-68.2	-38.5	174.3	-175.7	69.3	0	0	0	112	Y108 F196 M200 L221 A222 K223 D227 S228 A230 L235	Y108-L225 HydrophobicContact CD1-CD1 4.04Å; Y108-L225 HydrophobicContact CD2-CB 4.04Å; Y108-L225 HydrophobicContact CD2-CD1 4.08Å; Y108-L225 HydrophobicContact CE1-CD1 4.26Å; Y108-L225 HydrophobicContact CE2-CB 3.74Å; Y108-L225 HydrophobicContact CE2-CD1 4.3Å; Y108-L225 HydrophobicContact CG-CD1 3.95Å; F196-L225 HydrophobicContact CD2-CD2 4.11Å; F196-L225 HydrophobicContact CE2-CD2 3.86Å; M200-L225 HydrophobicContact CE-CD1 4.28Å; M200-L225 HydrophobicContact CE-CD2 3.81Å; M200-L225 HydrophobicContact CE-CG 4.39Å; M200-L225 HydrophobicContact SD-CD2 3.75Å; L221-L225 WeakPolarHBondContact O-CB 3.43Å; L221-L225 PolarHBondContact O-N 3.21Å; A222-L225 PolarHBondContact O-N 3.29Å; K223-L225 VanDerWaalsContact C-N 3.29Å; K223-L225 PolarHBondContact O-N 3Å; L225-D227 VanDerWaalsContact C-N 3.34Å; L225-S228 PolarHBondContact O-N 2.61Å; L225-S228 PolarHBondContact O-OG 2.95Å; L225-A230 HydrophobicContact CD1-CB 4.1Å; L225-A230 HydrophobicContact CG-CB 3.81Å; L225-A230 WeakPolarHBondContact O-CB 3.06Å; L225-A230 PolarHBondContact O-N 3.07Å; L225-L235 HydrophobicContact CD2-CB 3.77Å; L225-L235 HydrophobicContact CD2-CD2 3.5Å; L225-L235 VanDerWaalsContact CD2-CD2 3.5Å; L225-L235 HydrophobicContact CD2-CG 4.24Å
226	Q	96.3	Very high	98	Very high	45 Å²	45	11.8 Å²	11.8	21%	0.21	6%	0.063	C	C	.	.	H	α-helix	trans	-61.4	-44.9	171.2	169.1	170.4	65.5	0	0	111.1	F43 G46 A222 K223 S228 G229	F43-Q226 HydrophobicContact CZ-CB 4.33Å; G46-Q226 PolarHBondContact O-NE2 3.43Å; A222-Q226 PolarHBondContact O-N 3.1Å; K223-Q226 WeakPolarHBondContact O-CB 3.27Å; K223-Q226 PolarHBondContact O-N 3.36Å; Q226-S228 PolarHBondContact O-N 2.71Å; Q226-G229 PolarHBondContact O-N 3.41Å
227	D	96.4	Very high	98.1	Very high	45 Å²	45	11.8 Å²	11.8	24%	0.241	6%	0.063	C	C	.	.	H	α-helix	trans	-68.2	-22.7	-179.4	-67.5	-19.5	0	0	0	113	L111 K223 L224 L225 G229	L111-D227 HydrophobicContact CD1-CB 3.97Å; K223-D227 IonicContact NZ-OD1 2.76Å; K223-D227 PolarHBondContact NZ-OD1 3.31Å; K223-D227 IonicContact NZ-OD2 2.71Å; K223-D227 PolarHBondContact NZ-OD2 3.24Å; K223-D227 PolarHBondContact O-N 2.9Å; L224-D227 PolarHBondContact O-N 2.88Å; L225-D227 VanDerWaalsContact C-N 3.34Å; D227-G229 PolarHBondContact O-N 3.06Å
228	S	97.4	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.7	171.6	81.9	0	0	0	0	113.4	V104 R107 L224 L225 Q226	V104-S228 WeakPolarHBondContact CG1-OG 3.5Å; V104-S228 WeakPolarHBondContact O-CB 3.5Å; V104-S228 PolarHBondContact O-OG 3.19Å; R107-S228 VanDerWaalsContact CZ-O 3.26Å; R107-S228 PolarHBondContact NE-O 3.34Å; R107-S228 PolarHBondContact NH2-O 2.97Å; L224-S228 PolarHBondContact O-N 3.14Å; L225-S228 PolarHBondContact O-N 2.61Å; L225-S228 PolarHBondContact O-OG 2.95Å; Q226-S228 PolarHBondContact O-N 2.71Å
229	G	96	Very high	98.1	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.031	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	20.3	179.8	0	0	0	0	0	113.8	Q226 D227	Q226-G229 PolarHBondContact O-N 3.41Å; D227-G229 PolarHBondContact O-N 3.06Å
230	A	97.1	Very high	98	Very high	4 Å²	4	11.8 Å²	11.8	3%	0.033	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-59.7	137.2	169.7	0	0	0	0	0	110.4	V104 M200 L225	V104-A230 HydrophobicContact CG1-CB 3.95Å; M200-A230 HydrophobicContact CE-CB 4.25Å; L225-A230 HydrophobicContact CD1-CB 4.1Å; L225-A230 HydrophobicContact CG-CB 3.81Å; L225-A230 WeakPolarHBondContact O-CB 3.06Å; L225-A230 PolarHBondContact O-N 3.07Å
231	P	97.8	Very high	97.9	Very high	34 Å²	34	14.8 Å²	14.8	22%	0.221	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-63.7	147.5	179.2	-17.5	28.2	0	0	0	112.6	V10 W93 G233 T234	V10-P231 HydrophobicContact CG2-CG 3.89Å; W93-P231 HydrophobicContact CE3-CG 3.7Å; W93-P231 HydrophobicContact CZ3-CG 3.9Å; P231-G233 PolarHBondContact O-N 3.33Å; P231-T234 HydrophobicContact CB-CG2 3.91Å; P231-T234 HydrophobicContact CG-CG2 4.06Å; P231-T234 PolarHBondContact O-N 3.31Å; P231-T234 PolarHBondContact O-OG1 3.4Å
232	D	98.4	Very high	97.9	Very high	65 Å²	65	21.8 Å²	21.8	35%	0.348	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	132.8	178.7	-65.5	-19.8	0	0	0	110.7	R13	R13-D232 IonicContact CZ-OD1 3.37Å; R13-D232 IonicContact CZ-OD2 3.46Å; R13-D232 IonicContact NH1-OD1 3.42Å; R13-D232 PolarHBondContact NH1-OD1 2.97Å; R13-D232 IonicContact NH1-OD2 2.67Å; R13-D232 IonicContact NH2-OD1 2.67Å; R13-D232 IonicContact NH2-OD2 3.87Å; R13-D232 PolarHBondContact NH2-OD2 3.23Å
233	G	98.1	Very high	97.8	Very high	1 Å²	1	27 Å²	27	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-4.3	179.3	0	0	0	0	0	115.6	S85 C86 P231 L235 N236	S85-G233 WeakPolarHBondContact OG-CA 3.4Å; C86-G233 WeakPolarHBondContact CA-O 3.28Å; P231-G233 PolarHBondContact O-N 3.33Å; G233-L235 VanDerWaalsContact C-N 3.33Å; G233-N236 PolarHBondContact O-ND2 3.1Å
234	T	98.6	Very high	97.8	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	13%	0.129	C	C	.	.	S	Bend	trans	-72	-28.1	173.6	59	0	0	0	0	113	A89 W93 M200 T205 F206 P231	A89-T234 HydrophobicContact CB-CG2 4.26Å; W93-T234 HydrophobicContact CB-CG2 3.93Å; W93-T234 HydrophobicContact CD2-CG2 3.93Å; W93-T234 HydrophobicContact CE3-CG2 4.44Å; W93-T234 HydrophobicContact CG-CG2 3.69Å; M200-T234 VanDerWaalsContact CE-OG1 3.23Å; M200-T234 WeakPolarHBondContact CE-OG1 3.42Å; T205-T234 CarbonylContact C-O 3.5Å; T205-T234 WeakPolarHBondContact CA-O 3.23Å; T205-T234 HydrophobicContact CG2-CG2 4.35Å; F206-T234 PolarHBondContact N-O 2.93Å; P231-T234 HydrophobicContact CB-CG2 3.91Å; P231-T234 HydrophobicContact CG-CG2 4.06Å; P231-T234 PolarHBondContact O-N 3.31Å; P231-T234 PolarHBondContact O-OG1 3.4Å
235	L	98.9	Very high	97.8	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.3	165	176.3	65.8	0	0	0	108.6	F43 F196 M200 F206 M208 A222 L225 G233 I237	F43-L235 HydrophobicContact CD1-CG 4.46Å; F43-L235 HydrophobicContact CE1-CB 4.47Å; F43-L235 WeakPolarHBondContact CE1-O 3.24Å; F196-L235 HydrophobicContact CB-CD1 4.1Å; F196-L235 HydrophobicContact CD2-CD1 4.44Å; F196-L235 HydrophobicContact CD2-CD2 4.37Å; F196-L235 HydrophobicContact CE2-CD2 4.39Å; F196-L235 HydrophobicContact CG-CD1 4.13Å; M200-L235 HydrophobicContact SD-CB 4.08Å; F206-L235 HydrophobicContact CB-CD1 4.22Å; F206-L235 HydrophobicContact CD1-CD1 4.25Å; F206-L235 CarbonylContact O-C 3.5Å; F206-L235 WeakPolarHBondContact O-CA 3.25Å; M208-L235 HydrophobicContact CB-CD1 4.17Å; A222-L235 HydrophobicContact CB-CD2 3.88Å; L225-L235 HydrophobicContact CD2-CB 3.77Å; L225-L235 HydrophobicContact CD2-CD2 3.5Å; L225-L235 VanDerWaalsContact CD2-CD2 3.5Å; L225-L235 HydrophobicContact CD2-CG 4.24Å; G233-L235 VanDerWaalsContact C-N 3.33Å; L235-I237 HydrophobicContact CG-CG1 4.45Å
236	N	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.8	166.4	-58.2	-91.6	0	0	0	109.1	F43 I44 G45 A82 S85 C86 F206 L207 M208 G233	F43-N236 CarbonylContact O-C 3.47Å; F43-N236 WeakPolarHBondContact O-CA 3.33Å; F43-N236 WeakPolarHBondContact O-CB 3.34Å; I44-N236 WeakPolarHBondContact CA-OD1 3.48Å; G45-N236 PolarHBondContact N-OD1 2.98Å; A82-N236 HydrophobicContact CB-CB 4.1Å; S85-N236 WeakPolarHBondContact CB-OD1 2.96Å; S85-N236 PolarHBondContact OG-OD1 2.85Å; C86-N236 PolarHBondContact SG-ND2 3.17Å; F206-N236 PolarHBondContact O-N 3.37Å; L207-N236 WeakPolarHBondContact CA-O 3.39Å; L207-N236 HydrophobicContact CD1-CB 4.11Å; M208-N236 PolarHBondContact N-O 3.42Å; G233-N236 PolarHBondContact O-ND2 3.1Å
237	I	98.9	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.4	177.9	-54.3	179.7	0	0	0	109	F43 M208 P210 T218 M219 A222 L235	F43-I237 HydrophobicContact CB-CB 3.86Å; F43-I237 HydrophobicContact CB-CD1 4.24Å; F43-I237 HydrophobicContact CB-CG1 4.01Å; F43-I237 PolarHBondContact N-O 3.33Å; F43-I237 PolarHBondContact O-N 2.61Å; M208-I237 HydrophobicContact CB-CG1 4.18Å; M208-I237 VanDerWaalsContact O-CA 3.32Å; M208-I237 WeakPolarHBondContact O-CA 3.35Å; P210-I237 HydrophobicContact CG-CG2 3.98Å; T218-I237 HydrophobicContact CG2-CD1 3.91Å; M219-I237 HydrophobicContact SD-CB 4.16Å; M219-I237 HydrophobicContact SD-CD1 3.68Å; M219-I237 HydrophobicContact SD-CG2 3.84Å; A222-I237 HydrophobicContact CB-CD1 3.54Å; L235-I237 HydrophobicContact CG-CG1 4.45Å
238	I	98.8	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.			trans	-115.2	154	168.4	60.6	168.9	0	0	0	110.1	A74 M79 A82 L207 M208 K209 A244 F247	A74-I238 HydrophobicContact CB-CB 4.36Å; M79-I238 HydrophobicContact CB-CD1 4.45Å; M79-I238 HydrophobicContact CG-CD1 3.82Å; M79-I238 HydrophobicContact CG-CG2 4.48Å; M79-I238 HydrophobicContact SD-CD1 3.98Å; A82-I238 HydrophobicContact CB-CG2 3.67Å; L207-I238 HydrophobicContact CD1-CB 4.48Å; L207-I238 HydrophobicContact CD1-CD1 4.25Å; L207-I238 HydrophobicContact CD1-CG1 3.93Å; L207-I238 HydrophobicContact CD1-CG2 3.95Å; L207-I238 HydrophobicContact CD2-CD1 3.94Å; L207-I238 HydrophobicContact CD2-CG1 4.44Å; L207-I238 HydrophobicContact CG-CD1 4.35Å; L207-I238 HydrophobicContact CG-CG1 4.3Å; M208-I238 PolarHBondContact O-N 2.78Å; K209-I238 WeakPolarHBondContact CA-O 3.49Å; K209-I238 HydrophobicContact CB-CG1 4.45Å; I238-A244 HydrophobicContact CD1-CB 4.33Å; I238-F247 HydrophobicContact CD1-CD1 4.37Å
239	H	98.6	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.			trans	-118	165.1	175.2	-60.1	-66.8	0	0	0	111.3	K41 L42 V71 P72 A74	K41-H239 PolarHBondContact O-NE2 2.8Å; L42-H239 HydrophobicContact CD2-CB 4.48Å; V71-H239 HydrophobicContact CG2-CB 3.37Å; P72-H239 HydrophobicContact CG-CB 4.44Å; P72-H239 CarbonylContact O-C 3.59Å; P72-H239 VanDerWaalsContact O-CB 3.23Å; P72-H239 WeakPolarHBondContact O-CB 3.28Å; A74-H239 WeakPolarHBondContact CB-O 3.37Å; A74-H239 PolarHBondContact N-O 2.88Å
240	G	97.3	Very high	98.3	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.021	14%	0.139	C	C	.	.			trans	133.2	-179.7	-178.2	0	0	0	0	0	112.1	K209	K209-G240 PolarHBondContact NZ-O 2.81Å
241	Q	96.7	Very high	98.4	Very high	65 Å²	65	28.7 Å²	28.7	30%	0.304	14%	0.144	S	C	.	.	S	Bend	trans	-111.2	-121.3	-176	-64.8	-177.1	-42.9	0	0	110.7	I57 E212 E243 A244 V245	I57-Q241 HydrophobicContact CD1-CG 3.63Å; E212-Q241 HydrophobicContact CG-CG 4.13Å; E212-Q241 WeakPolarHBondContact OE1-CG 3.42Å; E212-Q241 PolarHBondContact OE1-NE2 2.85Å; Q241-E243 PolarHBondContact O-N 3.21Å; Q241-A244 PolarHBondContact O-N 3.26Å; Q241-V245 WeakPolarHBondContact O-CG2 3.49Å; Q241-V245 PolarHBondContact O-N 2.99Å; Q241-V245 VanDerWaalsContact O-N 3.1Å
242	H	97.1	Very high	98.4	Very high	147 Å²	147	31.6 Å²	31.6	68%	0.681	16%	0.163	S	C	*	.	H	α-helix	trans	-58.8	-40.5	-173.5	-64.9	88.8	0	0	0	113.3	V245 N246	H242-V245 PolarHBondContact O-N 2.88Å; H242-N246 WeakPolarHBondContact O-CB 3.42Å; H242-N246 PolarHBondContact O-N 2.86Å; H242-N246 PolarHBondContact O-ND2 3.43Å; H242-N246 PolarHBondContact O-OD1 3.46Å
243	E	97.9	Very high	98.4	Very high	112 Å²	112	30.6 Å²	30.6	52%	0.523	16%	0.158	S	C	.	.	H	α-helix	trans	-63.8	-42.4	179.3	-67.9	-174	165.4	0	0	112.3	Q241 N246 F247	Q241-E243 PolarHBondContact O-N 3.21Å; E243-N246 PolarHBondContact O-N 2.92Å; E243-F247 WeakPolarHBondContact O-CB 3.28Å; E243-F247 PolarHBondContact O-N 2.88Å
244	A	98.4	Very high	98.4	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-37	176.6	0	0	0	0	0	112.3	M79 K209 I238 Q241 I248	M79-A244 HydrophobicContact SD-CB 4.01Å; K209-A244 HydrophobicContact CD-CB 4.37Å; K209-A244 HydrophobicContact CG-CB 4.37Å; I238-A244 HydrophobicContact CD1-CB 4.33Å; Q241-A244 PolarHBondContact O-N 3.26Å; A244-I248 WeakPolarHBondContact O-CG1 3.37Å; A244-I248 PolarHBondContact O-N 2.82Å; A244-I248 VanDerWaalsContact O-N 3.1Å
245	V	98.7	Very high	98.4	Very high	20 Å²	20	35 Å²	35	12%	0.121	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-47.4	173.9	171.6	0	0	0	0	111	I182 K209 Q241 H242 F247 I248 C249 Y268 I269	I182-V245 HydrophobicContact CD1-CB 4.49Å; I182-V245 HydrophobicContact CD1-CG1 4.1Å; I182-V245 HydrophobicContact CD1-CG2 4.2Å; I182-V245 HydrophobicContact CG2-CG2 4.39Å; K209-V245 HydrophobicContact CD-CG2 4.12Å; Q241-V245 WeakPolarHBondContact O-CG2 3.49Å; Q241-V245 PolarHBondContact O-N 2.99Å; Q241-V245 VanDerWaalsContact O-N 3.1Å; H242-V245 PolarHBondContact O-N 2.88Å; V245-F247 VanDerWaalsContact C-N 3.32Å; V245-F247 PolarHBondContact O-N 3.46Å; V245-I248 PolarHBondContact O-N 2.86Å; V245-I248 VanDerWaalsContact O-N 3.15Å; V245-C249 PolarHBondContact O-N 3.35Å; V245-C249 PolarHBondContact O-SG 2.97Å; V245-C249 VanDerWaalsContact O-SG 3.38Å; V245-Y268 HydrophobicContact CG1-CE1 4.5Å; V245-I269 HydrophobicContact CG1-CD1 3.73Å; V245-I269 HydrophobicContact CG1-CG1 3.59Å
246	N	98.7	Very high	98.4	Very high	41 Å²	41	34.8 Å²	34.8	22%	0.219	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-44.3	177.5	-70.6	-13.5	0	0	0	111.3	H242 E243 I248 C249 D250 Y268	H242-N246 WeakPolarHBondContact O-CB 3.42Å; H242-N246 PolarHBondContact O-N 2.86Å; H242-N246 PolarHBondContact O-ND2 3.43Å; H242-N246 PolarHBondContact O-OD1 3.46Å; E243-N246 PolarHBondContact O-N 2.92Å; N246-I248 VanDerWaalsContact C-N 3.31Å; N246-I248 PolarHBondContact O-N 3.23Å; N246-C249 PolarHBondContact O-N 3.24Å; N246-C249 VanDerWaalsContact O-N 3.14Å; N246-D250 WeakPolarHBondContact O-CB 3.4Å; N246-D250 PolarHBondContact O-N 3.19Å; N246-Y268 VanDerWaalsContact OD1-CE1 3.31Å; N246-Y268 WeakPolarHBondContact OD1-CE1 3.42Å; N246-Y268 PolarHBondContact OD1-OH 3.49Å
247	F	98.8	Very high	98.4	Very high	23 Å²	23	34.8 Å²	34.8	10%	0.101	18%	0.176	C	C	.	.	H	α-helix	trans	-53.4	-48.7	174	175.8	-92.2	0	0	0	111.4	M79 D80 I83 L207 I238 E243 V245 C249 D250 H251	M79-F247 VanDerWaalsContact C-CZ 3.47Å; M79-F247 HydrophobicContact CB-CD1 3.86Å; M79-F247 HydrophobicContact CB-CD2 3.95Å; M79-F247 HydrophobicContact CB-CE1 3.7Å; M79-F247 HydrophobicContact CB-CE2 3.77Å; M79-F247 HydrophobicContact CB-CG 3.98Å; M79-F247 HydrophobicContact CB-CZ 3.66Å; M79-F247 HydrophobicContact CE-CB 4.04Å; M79-F247 HydrophobicContact CE-CD2 4.22Å; M79-F247 HydrophobicContact CE-CG 4.15Å; M79-F247 HydrophobicContact CG-CD1 4.39Å; M79-F247 HydrophobicContact CG-CG 4.46Å; M79-F247 WeakPolarHBondContact O-CZ 3.25Å; M79-F247 HydrophobicContact SD-CB 3.71Å; M79-F247 HydrophobicContact SD-CD1 4Å; M79-F247 HydrophobicContact SD-CD2 4.28Å; M79-F247 HydrophobicContact SD-CG 3.73Å; D80-F247 WeakPolarHBondContact OD1-CE2 3.34Å; I83-F247 HydrophobicContact CB-CZ 4.46Å; I83-F247 HydrophobicContact CD1-CE1 4.4Å; I83-F247 HydrophobicContact CG1-CE1 3.58Å; I83-F247 HydrophobicContact CG1-CZ 3.66Å; L207-F247 HydrophobicContact CD2-CD1 4.49Å; L207-F247 HydrophobicContact CD2-CE1 4.08Å; I238-F247 HydrophobicContact CD1-CD1 4.37Å; E243-F247 WeakPolarHBondContact O-CB 3.28Å; E243-F247 PolarHBondContact O-N 2.88Å; V245-F247 VanDerWaalsContact C-N 3.32Å; V245-F247 PolarHBondContact O-N 3.46Å; F247-C249 PolarHBondContact O-N 2.87Å; F247-D250 PolarHBondContact O-N 2.8Å; F247-H251 AromaticContact CE2-CD2 3.46Å; F247-H251 VanDerWaalsContact CE2-CD2 3.46Å; F247-H251 WeakPolarHBondContact CE2-CD2 3.14Å; F247-H251 HydrophobicContact CZ-CB 4.4Å; F247-H251 AromaticContact CZ-CD2 3.41Å; F247-H251 VanDerWaalsContact CZ-CD2 3.41Å; F247-H251 WeakPolarHBondContact CZ-CD2 3.49Å; F247-H251 VanDerWaalsContact O-CB 3.24Å; F247-H251 WeakPolarHBondContact O-CB 3.36Å; F247-H251 PolarHBondContact O-N 3.32Å
248	I	98.9	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-43.3	177.4	-72.9	168.4	0	0	0	111.9	A180 I182 L207 K209 A244 V245 N246 D250 I254 I257	A180-I248 HydrophobicContact CB-CG1 4.42Å; A180-I248 HydrophobicContact CB-CG2 3.54Å; I182-I248 HydrophobicContact CD1-CB 4.41Å; I182-I248 HydrophobicContact CD1-CD1 4.18Å; I182-I248 HydrophobicContact CD1-CG2 4.07Å; I182-I248 HydrophobicContact CG1-CD1 3.81Å; L207-I248 HydrophobicContact CD2-CD1 4.5Å; L207-I248 HydrophobicContact CD2-CG1 3.99Å; K209-I248 HydrophobicContact CB-CD1 3.85Å; A244-I248 WeakPolarHBondContact O-CG1 3.37Å; A244-I248 PolarHBondContact O-N 2.82Å; A244-I248 VanDerWaalsContact O-N 3.1Å; V245-I248 PolarHBondContact O-N 2.86Å; V245-I248 VanDerWaalsContact O-N 3.15Å; N246-I248 VanDerWaalsContact C-N 3.31Å; N246-I248 PolarHBondContact O-N 3.23Å; I248-D250 VanDerWaalsContact C-N 3.35Å; I248-D250 PolarHBondContact O-N 3.38Å; I248-I254 HydrophobicContact CB-CD1 4.25Å; I248-I254 HydrophobicContact CG1-CD1 4.35Å; I248-I254 HydrophobicContact CG2-CD1 4.19Å; I248-I254 VanDerWaalsContact O-CD1 3.3Å; I248-I254 WeakPolarHBondContact O-CD1 3.5Å; I248-I257 HydrophobicContact CG2-CD1 4.1Å; I248-I257 HydrophobicContact CG2-CG1 4.04Å; I248-I257 HydrophobicContact CG2-CG2 4.26Å
249	C	98.8	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-37.1	179.7	-67.7	0	0	0	0	112.8	V245 N246 F247 R272 K278	V245-C249 PolarHBondContact O-N 3.35Å; V245-C249 PolarHBondContact O-SG 2.97Å; V245-C249 VanDerWaalsContact O-SG 3.38Å; N246-C249 PolarHBondContact O-N 3.24Å; N246-C249 VanDerWaalsContact O-N 3.14Å; F247-C249 PolarHBondContact O-N 2.87Å; C249-R272 HydrophobicContact CB-CB 4.18Å; C249-R272 HydrophobicContact CB-CG 3.74Å; C249-K278 WeakPolarHBondContact O-CE 3.44Å; C249-K278 PolarHBondContact O-NZ 3.42Å
250	D	98.6	Very high	98.4	Very high	51 Å²	51	35.5 Å²	35.5	27%	0.273	18%	0.179	S	C	.	.	H	α-helix	trans	-93.3	-32.5	-168.1	-60.3	-11.7	0	0	0	112.4	N246 F247 I248 R272 H276 K278	N246-D250 WeakPolarHBondContact O-CB 3.4Å; N246-D250 PolarHBondContact O-N 3.19Å; F247-D250 PolarHBondContact O-N 2.8Å; I248-D250 VanDerWaalsContact C-N 3.35Å; I248-D250 PolarHBondContact O-N 3.38Å; D250-R272 IonicContact OD1-CZ 2.92Å; D250-R272 IonicContact OD1-NE 2.74Å; D250-R272 PolarHBondContact OD1-NE 3.37Å; D250-R272 IonicContact OD1-NH2 2.61Å; D250-R272 PolarHBondContact OD1-NH2 3.32Å; D250-R272 IonicContact OD2-CZ 3.27Å; D250-R272 IonicContact OD2-NE 2.71Å; D250-R272 PolarHBondContact OD2-NE 3.07Å; D250-R272 IonicContact OD2-NH2 2.79Å; D250-R272 PolarHBondContact OD2-NH2 2.84Å; D250-H276 IonicContact OD1-CD2 3.33Å; D250-H276 IonicContact OD1-NE2 2.72Å; D250-H276 PolarHBondContact OD1-NE2 2.95Å; D250-K278 PolarHBondContact O-NZ 2.65Å
251	H	98.7	Very high	98.4	Very high	31 Å²	31	36.3 Å²	36.3	14%	0.144	19%	0.188	C	C	.	.			trans	-60.8	127.1	-169.6	-162.3	-75.6	0	0	0	112.2	I83 F247 D253 I254 K278	I83-H251 WeakPolarHBondContact CG2-CE1 3.45Å; F247-H251 AromaticContact CE2-CD2 3.46Å; F247-H251 VanDerWaalsContact CE2-CD2 3.46Å; F247-H251 WeakPolarHBondContact CE2-CD2 3.14Å; F247-H251 HydrophobicContact CZ-CB 4.4Å; F247-H251 AromaticContact CZ-CD2 3.41Å; F247-H251 VanDerWaalsContact CZ-CD2 3.41Å; F247-H251 WeakPolarHBondContact CZ-CD2 3.49Å; F247-H251 VanDerWaalsContact O-CB 3.24Å; F247-H251 WeakPolarHBondContact O-CB 3.36Å; F247-H251 PolarHBondContact O-N 3.32Å; H251-D253 VanDerWaalsContact C-N 3.29Å; H251-D253 IonicContact CE1-OD2 2.81Å; H251-D253 PolarHBondContact CE1-OD2 3.49Å; H251-D253 PolarHBondContact ND1-N 2.96Å; H251-D253 IonicContact ND1-OD2 3.53Å; H251-D253 PolarHBondContact O-N 3.2Å; H251-I254 HydrophobicContact CB-CD1 3.99Å; H251-I254 HydrophobicContact CB-CG1 4.36Å; H251-I254 PolarHBondContact O-N 3.26Å; H251-K278 WeakPolarHBondContact O-CE 3.32Å; H251-K278 PolarHBondContact O-NZ 2.73Å; H251-K278 VanDerWaalsContact O-NZ 3.11Å
252	P	98.3	Very high	98.4	Very high	96 Å²	96	36.2 Å²	36.2	62%	0.623	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.9	-169.1	26.4	-36.2	0	0	0	114.6	K255	P252-K255 PolarHBondContact O-NZ 3.43Å; P252-K255 VanDerWaalsContact O-NZ 3.11Å
253	D	98.5	Very high	98.3	Very high	44 Å²	44	30.5 Å²	30.5	24%	0.235	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.1	179.8	-68.5	-57.9	0	0	0	114.2	I83 K87 H251	I83-D253 HydrophobicContact CG2-CB 4.03Å; K87-D253 HydrophobicContact CD-CB 3.9Å; K87-D253 VanDerWaalsContact CD-CG 3.43Å; K87-D253 VanDerWaalsContact CD-OD2 3.23Å; K87-D253 WeakPolarHBondContact CD-OD2 3.43Å; K87-D253 WeakPolarHBondContact CE-OD1 3.46Å; K87-D253 WeakPolarHBondContact CE-OD2 3.38Å; K87-D253 HydrophobicContact CG-CB 4.29Å; K87-D253 IonicContact NZ-OD1 3.6Å; K87-D253 PolarHBondContact NZ-OD1 3.26Å; K87-D253 IonicContact NZ-OD2 3.5Å; K87-D253 PolarHBondContact NZ-OD2 3.07Å; H251-D253 VanDerWaalsContact C-N 3.29Å; H251-D253 IonicContact CE1-OD2 2.81Å; H251-D253 PolarHBondContact CE1-OD2 3.49Å; H251-D253 PolarHBondContact ND1-N 2.96Å; H251-D253 IonicContact ND1-OD2 3.53Å; H251-D253 PolarHBondContact O-N 3.2Å
254	I	98.9	Very high	98.2	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.4	176.8	-62.7	170.1	0	0	0	108.6	I83 V178 A180 L207 I248 H251 I257 K278	I83-I254 HydrophobicContact CD1-CD1 3.85Å; I83-I254 HydrophobicContact CD1-CG1 3.69Å; V178-I254 HydrophobicContact CG1-CG1 4.4Å; V178-I254 CarbonylContact O-C 3.58Å; V178-I254 WeakPolarHBondContact O-CA 3.47Å; A180-I254 HydrophobicContact CB-CD1 4.2Å; A180-I254 HydrophobicContact CB-CG2 3.79Å; L207-I254 HydrophobicContact CD2-CD1 4.4Å; I248-I254 HydrophobicContact CB-CD1 4.25Å; I248-I254 HydrophobicContact CG1-CD1 4.35Å; I248-I254 HydrophobicContact CG2-CD1 4.19Å; I248-I254 VanDerWaalsContact O-CD1 3.3Å; I248-I254 WeakPolarHBondContact O-CD1 3.5Å; H251-I254 HydrophobicContact CB-CD1 3.99Å; H251-I254 HydrophobicContact CB-CG1 4.36Å; H251-I254 PolarHBondContact O-N 3.26Å; I254-I257 HydrophobicContact CG2-CG1 4.08Å; I254-K278 HydrophobicContact CB-CD 4.42Å; I254-K278 HydrophobicContact CG2-CD 4.27Å; I254-K278 WeakPolarHBondContact O-CD 3.42Å; I254-K278 WeakPolarHBondContact O-CE 3.48Å; I254-K278 WeakPolarHBondContact O-CG 3.35Å
255	K	98.8	Very high	98.2	Very high	94 Å²	94	35.4 Å²	35.4	41%	0.409	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-27	-174.9	-55.7	-52	179.3	-168.4	0	113.6	L176 V178 P252 R279	L176-K255 HydrophobicContact CB-CB 3.96Å; L176-K255 HydrophobicContact CB-CG 4.49Å; V178-K255 PolarHBondContact O-N 3.29Å; P252-K255 PolarHBondContact O-NZ 3.43Å; P252-K255 VanDerWaalsContact O-NZ 3.11Å; K255-R279 PolarHBondContact O-N 3.28Å
256	A	98.8	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.5	-176.7	0	0	0	0	0	111.2	L176 C179 A180 R279 F505	L176-A256 HydrophobicContact CD1-CB 3.91Å; C179-A256 HydrophobicContact CB-CB 4.39Å; A180-A256 PolarHBondContact N-O 2.83Å; A256-R279 CarbonylContact C-O 3.41Å; A256-R279 WeakPolarHBondContact CA-O 3.41Å; A256-R279 HydrophobicContact CB-CG 3.38Å; A256-F505 HydrophobicContact CB-CE1 3.75Å; A256-F505 HydrophobicContact CB-CZ 3.89Å
257	I	98.9	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.3	177.8	-57.6	169.9	0	0	0	109.6	A180 I182 I248 I254 I269 K278 R279 V280 Q281 F505	A180-I257 WeakPolarHBondContact O-CA 3.22Å; I182-I257 HydrophobicContact CD1-CG2 4.42Å; I248-I257 HydrophobicContact CG2-CD1 4.1Å; I248-I257 HydrophobicContact CG2-CG1 4.04Å; I248-I257 HydrophobicContact CG2-CG2 4.26Å; I254-I257 HydrophobicContact CG2-CG1 4.08Å; I257-I269 HydrophobicContact CG2-CG2 3.86Å; I257-K278 HydrophobicContact CD1-CD 3.68Å; I257-K278 HydrophobicContact CG1-CD 4.17Å; I257-R279 PolarHBondContact N-O 3.48Å; I257-V280 HydrophobicContact CB-CG1 4.24Å; I257-V280 HydrophobicContact CB-CG2 4.28Å; I257-V280 HydrophobicContact CD1-CG2 4.45Å; I257-V280 HydrophobicContact CG2-CG1 4.46Å; I257-V280 WeakPolarHBondContact O-CA 3.48Å; I257-Q281 PolarHBondContact O-N 3.03Å; I257-F505 WeakPolarHBondContact O-CZ 3.4Å
258	S	98.9	Very high	98.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.9	168.7	-69	0	0	0	0	110	A180 G181 I182 Q281 F505 Y506	A180-S258 PolarHBondContact O-N 3.29Å; G181-S258 CarbonylContact C-O 3.57Å; G181-S258 VanDerWaalsContact CA-O 3.28Å; G181-S258 WeakPolarHBondContact CA-O 3.34Å; I182-S258 PolarHBondContact N-O 3.03Å; S258-Q281 PolarHBondContact OG-NE2 2.78Å; S258-F505 WeakPolarHBondContact OG-CE1 3.46Å; S258-Y506 PolarHBondContact OG-OH 2.97Å
259	F	98.8	Very high	98.1	Very high	9 Å²	9	38.9 Å²	38.9	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.5	179.3	170.2	-95	0	0	0	111	I182 G261 A265 I269 Q281 A282 N283 F497	I182-F259 HydrophobicContact CB-CD2 3.87Å; I182-F259 HydrophobicContact CG2-CD2 3.71Å; I182-F259 HydrophobicContact CG2-CE2 4.01Å; F259-G261 VanDerWaalsContact CE1-N 3.34Å; F259-G261 VanDerWaalsContact CZ-CA 3.47Å; F259-A265 HydrophobicContact CE2-CB 4.11Å; F259-A265 HydrophobicContact CZ-CB 3.63Å; F259-I269 HydrophobicContact CB-CD1 4.4Å; F259-I269 HydrophobicContact CB-CG2 4.15Å; F259-I269 HydrophobicContact CD2-CD1 3.18Å; F259-I269 HydrophobicContact CE2-CD1 3.43Å; F259-I269 VanDerWaalsContact CE2-CD1 3.43Å; F259-I269 HydrophobicContact CG-CD1 3.77Å; F259-I269 HydrophobicContact CZ-CD1 4.19Å; F259-Q281 PolarHBondContact N-O 3.01Å; F259-A282 HydrophobicContact CB-CB 4.29Å; F259-A282 HydrophobicContact CD1-CB 3.97Å; F259-A282 CarbonylContact O-C 3.57Å; F259-A282 WeakPolarHBondContact O-CA 3.36Å; F259-N283 PolarHBondContact O-N 3.02Å; F259-F497 WeakPolarHBondContact O-CZ 3.27Å
260	V	98.8	Very high	98.1	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	163.6	-175	0	0	0	0	108.9	I182 P184 I191 M195 N283 F497	I182-V260 PolarHBondContact O-N 2.58Å; I182-V260 VanDerWaalsContact O-N 3.12Å; P184-V260 WeakPolarHBondContact CB-O 3.48Å; P184-V260 WeakPolarHBondContact CD-O 3.19Å; P184-V260 HydrophobicContact CG-CB 4.25Å; P184-V260 HydrophobicContact CG-CG1 4.07Å; I191-V260 HydrophobicContact CD1-CB 4.23Å; I191-V260 HydrophobicContact CD1-CG1 3.78Å; I191-V260 HydrophobicContact CG2-CB 3.89Å; I191-V260 HydrophobicContact CG2-CG2 3.78Å; M195-V260 HydrophobicContact CE-CB 4.38Å; M195-V260 HydrophobicContact CE-CG2 3.74Å; V260-N283 WeakPolarHBondContact CA-O 3.31Å; V260-N283 HydrophobicContact CB-CB 4.45Å; V260-N283 HydrophobicContact CG1-CB 4.16Å; V260-N283 HydrophobicContact CG2-CB 4.03Å; V260-F497 HydrophobicContact CG2-CD1 4.28Å; V260-F497 HydrophobicContact CG2-CE1 3.65Å; V260-F497 HydrophobicContact CG2-CE2 4.36Å; V260-F497 HydrophobicContact CG2-CZ 3.72Å
261	G	97.5	Very high	98	Very high	20 Å²	20	45.4 Å²	45.4	21%	0.206	23%	0.233	C	C	.	.	S	Bend	trans	166.5	-151.8	177.5	0	0	0	0	0	113	F259 N283 M284 G285	F259-G261 VanDerWaalsContact CE1-N 3.34Å; F259-G261 VanDerWaalsContact CZ-CA 3.47Å; G261-N283 PolarHBondContact N-O 2.74Å; G261-M284 CarbonylContact O-C 3.42Å; G261-M284 VanDerWaalsContact O-C 3.29Å; G261-M284 WeakPolarHBondContact O-CA 3.33Å; G261-G285 PolarHBondContact O-N 2.78Å
262	S	96.4	Very high	98	Very high	63 Å²	63	46.6 Å²	46.6	44%	0.441	24%	0.236	S	C	.	.			trans	-73.2	155.9	-179	63.3	0	0	0	0	112.9	K264 A265 G266	S262-K264 PolarHBondContact O-N 2.86Å; S262-A265 PolarHBondContact O-N 3.18Å; S262-G266 PolarHBondContact O-N 2.8Å
263	N	94.8	Very high	98	Very high	26 Å²	26	42 Å²	42	14%	0.139	21%	0.207	C	C	.	.	H	α-helix	trans	-50.9	-51.6	174.7	-72	52.6	0	0	0	113.7	A265 G266 E267 G285 Y443 S489	N263-A265 VanDerWaalsContact C-N 3.28Å; N263-A265 PolarHBondContact O-N 2.89Å; N263-G266 PolarHBondContact O-N 2.85Å; N263-E267 WeakPolarHBondContact O-CG 3.38Å; N263-E267 PolarHBondContact O-N 2.8Å; N263-G285 WeakPolarHBondContact OD1-CA 3.13Å; N263-G285 PolarHBondContact OD1-N 3.4Å; N263-Y443 WeakPolarHBondContact ND2-CE1 3.39Å; N263-S489 PolarHBondContact ND2-O 3.13Å
264	K	96.2	Very high	98	Very high	183 Å²	183	42.2 Å²	42.2	80%	0.796	21%	0.211	S	C	*	.	H	α-helix	trans	-54.4	-44.5	-178	-177.2	177.8	-179.7	178.2	0	112.5	S262 Y268	S262-K264 PolarHBondContact O-N 2.86Å; K264-Y268 WeakPolarHBondContact O-CB 3.38Å; K264-Y268 PolarHBondContact O-N 2.77Å
265	A	97.4	Very high	98	Very high	35 Å²	35	50.4 Å²	50.4	29%	0.289	24%	0.242	S	C	.	.	H	α-helix	trans	-74.4	-39.2	177.8	0	0	0	0	0	112.1	F259 S262 N263 Y268 I269	F259-A265 HydrophobicContact CE2-CB 4.11Å; F259-A265 HydrophobicContact CZ-CB 3.63Å; S262-A265 PolarHBondContact O-N 3.18Å; N263-A265 VanDerWaalsContact C-N 3.28Å; N263-A265 PolarHBondContact O-N 2.89Å; A265-Y268 PolarHBondContact O-N 3Å; A265-I269 WeakPolarHBondContact O-CB 3.41Å; A265-I269 WeakPolarHBondContact O-CD1 3.32Å; A265-I269 VanDerWaalsContact O-CG1 3.23Å; A265-I269 WeakPolarHBondContact O-CG1 3.3Å; A265-I269 PolarHBondContact O-N 3.4Å
266	G	97.6	Very high	98	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-44.4	-179.3	0	0	0	0	0	113.4	S262 N263 I269 F270	S262-G266 PolarHBondContact O-N 2.8Å; N263-G266 PolarHBondContact O-N 2.85Å; G266-I269 PolarHBondContact O-N 3.06Å; G266-F270 VanDerWaalsContact O-CB 3.23Å; G266-F270 WeakPolarHBondContact O-CB 3.28Å; G266-F270 PolarHBondContact O-N 3.22Å
267	E	97.6	Very high	97.9	Very high	69 Å²	69	53.6 Å²	53.6	32%	0.322	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-47.4	175.6	-69.2	179.8	157.6	0	0	110.6	N263 I269 F270 E271 M284 R492	N263-E267 WeakPolarHBondContact O-CG 3.38Å; N263-E267 PolarHBondContact O-N 2.8Å; E267-I269 PolarHBondContact O-N 3.02Å; E267-F270 PolarHBondContact O-N 3.25Å; E267-E271 WeakPolarHBondContact O-CB 3.37Å; E267-E271 WeakPolarHBondContact O-CG 3.48Å; E267-E271 PolarHBondContact O-N 3.22Å; E267-M284 HydrophobicContact CG-CE 4.09Å; E267-M284 HydrophobicContact CG-SD 3.83Å; E267-R492 IonicContact OE1-CZ 2.71Å; E267-R492 IonicContact OE1-NH2 3.3Å; E267-R492 PolarHBondContact OE1-NH2 2.86Å
268	Y	98.4	Very high	97.9	Very high	87 Å²	87	54.2 Å²	54.2	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-56.7	-46.9	176	176.4	-101.2	0	0	0	113	V245 N246 K264 A265 R272	V245-Y268 HydrophobicContact CG1-CE1 4.5Å; N246-Y268 VanDerWaalsContact OD1-CE1 3.31Å; N246-Y268 WeakPolarHBondContact OD1-CE1 3.42Å; N246-Y268 PolarHBondContact OD1-OH 3.49Å; K264-Y268 WeakPolarHBondContact O-CB 3.38Å; K264-Y268 PolarHBondContact O-N 2.77Å; A265-Y268 PolarHBondContact O-N 3Å; Y268-R272 WeakPolarHBondContact O-CB 3.28Å; Y268-R272 PolarHBondContact O-N 3.24Å; Y268-R272 WeakPolarHBondContact OH-CD 3.43Å; Y268-R272 PolarHBondContact OH-NH1 3.35Å
269	I	98.6	Very high	97.8	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-40.4	-179.8	-71.3	163.5	0	0	0	111.1	I182 V245 I257 F259 A265 G266 E267 G273 V280	I182-I269 HydrophobicContact CD1-CD1 3.87Å; I182-I269 HydrophobicContact CD1-CG1 4.48Å; V245-I269 HydrophobicContact CG1-CD1 3.73Å; V245-I269 HydrophobicContact CG1-CG1 3.59Å; I257-I269 HydrophobicContact CG2-CG2 3.86Å; F259-I269 HydrophobicContact CB-CD1 4.4Å; F259-I269 HydrophobicContact CB-CG2 4.15Å; F259-I269 HydrophobicContact CD2-CD1 3.18Å; F259-I269 HydrophobicContact CE2-CD1 3.43Å; F259-I269 VanDerWaalsContact CE2-CD1 3.43Å; F259-I269 HydrophobicContact CG-CD1 3.77Å; F259-I269 HydrophobicContact CZ-CD1 4.19Å; A265-I269 WeakPolarHBondContact O-CB 3.41Å; A265-I269 WeakPolarHBondContact O-CD1 3.32Å; A265-I269 VanDerWaalsContact O-CG1 3.23Å; A265-I269 WeakPolarHBondContact O-CG1 3.3Å; A265-I269 PolarHBondContact O-N 3.4Å; G266-I269 PolarHBondContact O-N 3.06Å; E267-I269 PolarHBondContact O-N 3.02Å; I269-G273 WeakPolarHBondContact O-CA 3.35Å; I269-G273 PolarHBondContact O-N 3.46Å; I269-V280 HydrophobicContact CG2-CG1 4.31Å
270	F	98.6	Very high	97.8	Very high	56 Å²	56	58.5 Å²	58.5	25%	0.246	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-50.8	177.7	-175.9	-96.4	0	0	0	111.3	G266 E267 S274 V280 A282 R492	G266-F270 VanDerWaalsContact O-CB 3.23Å; G266-F270 WeakPolarHBondContact O-CB 3.28Å; G266-F270 PolarHBondContact O-N 3.22Å; E267-F270 PolarHBondContact O-N 3.25Å; F270-S274 WeakPolarHBondContact O-CB 3.4Å; F270-S274 PolarHBondContact O-N 3.34Å; F270-S274 PolarHBondContact O-OG 3.1Å; F270-V280 HydrophobicContact CB-CG1 4.42Å; F270-V280 HydrophobicContact CD2-CB 3.79Å; F270-V280 HydrophobicContact CD2-CG1 3.96Å; F270-V280 HydrophobicContact CE2-CB 4.28Å; F270-A282 HydrophobicContact CB-CB 4.42Å; F270-R492 HydrophobicContact CB-CB 4.02Å; F270-R492 HydrophobicContact CB-CG 4.44Å; F270-R492 HydrophobicContact CD1-CB 3.92Å; F270-R492 HydrophobicContact CD1-CG 4.35Å; F270-R492 HydrophobicContact CD2-CB 3.41Å; F270-R492 VanDerWaalsContact CD2-CB 3.41Å; F270-R492 HydrophobicContact CE1-CB 4.24Å; F270-R492 HydrophobicContact CE2-CB 3.79Å; F270-R492 HydrophobicContact CG-CB 3.49Å; F270-R492 VanDerWaalsContact CG-CB 3.49Å; F270-R492 HydrophobicContact CG-CG 4.2Å; F270-R492 HydrophobicContact CZ-CB 4.19Å
271	E	98.3	Very high	97.8	Very high	132 Å²	132	58.2 Å²	58.2	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-63.2	-50.6	179	-71.6	173.9	-176.5	0	0	111.6	E267 R275	E267-E271 WeakPolarHBondContact O-CB 3.37Å; E267-E271 WeakPolarHBondContact O-CG 3.48Å; E267-E271 PolarHBondContact O-N 3.22Å; E271-R275 VanDerWaalsContact O-CB 3.26Å; E271-R275 WeakPolarHBondContact O-CB 3.44Å; E271-R275 PolarHBondContact O-N 3.12Å
272	R	98.6	Very high	97.8	Very high	55 Å²	55	57.3 Å²	57.3	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-47.3	-177.3	-169.8	173.8	-174.7	118.1	5	111.3	C249 D250 Y268 R275 H276	C249-R272 HydrophobicContact CB-CB 4.18Å; C249-R272 HydrophobicContact CB-CG 3.74Å; D250-R272 IonicContact OD1-CZ 2.92Å; D250-R272 IonicContact OD1-NE 2.74Å; D250-R272 PolarHBondContact OD1-NE 3.37Å; D250-R272 IonicContact OD1-NH2 2.61Å; D250-R272 PolarHBondContact OD1-NH2 3.32Å; D250-R272 IonicContact OD2-CZ 3.27Å; D250-R272 IonicContact OD2-NE 2.71Å; D250-R272 PolarHBondContact OD2-NE 3.07Å; D250-R272 IonicContact OD2-NH2 2.79Å; D250-R272 PolarHBondContact OD2-NH2 2.84Å; Y268-R272 WeakPolarHBondContact O-CB 3.28Å; Y268-R272 PolarHBondContact O-N 3.24Å; Y268-R272 WeakPolarHBondContact OH-CD 3.43Å; Y268-R272 PolarHBondContact OH-NH1 3.35Å; R272-R275 PolarHBondContact O-N 3.12Å; R272-H276 PolarHBondContact O-CD2 3.46Å; R272-H276 PolarHBondContact O-N 3.02Å
273	G	98.6	Very high	97.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-45.9	179.1	0	0	0	0	0	112.7	I269 R275 H276 K278	I269-G273 WeakPolarHBondContact O-CA 3.35Å; I269-G273 PolarHBondContact O-N 3.46Å; G273-R275 PolarHBondContact O-N 2.76Å; G273-H276 CarbonylContact O-C 3.46Å; G273-H276 PolarHBondContact O-N 3.47Å; G273-H276 VanDerWaalsContact O-N 3.09Å; G273-K278 WeakPolarHBondContact O-CB 3.28Å; G273-K278 PolarHBondContact O-N 3.01Å
274	S	98.3	Very high	98	Very high	48 Å²	48	53.1 Å²	53.1	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-65.5	-37.9	179.6	-56.9	0	0	0	0	112.2	F270 H276 G277	F270-S274 WeakPolarHBondContact O-CB 3.4Å; F270-S274 PolarHBondContact O-N 3.34Å; F270-S274 PolarHBondContact O-OG 3.1Å; S274-H276 PolarHBondContact O-N 2.74Å; S274-G277 PolarHBondContact O-N 2.8Å
275	R	98.2	Very high	97.9	Very high	175 Å²	175	44.5 Å²	44.5	66%	0.66	22%	0.222	S	C	*	.	H	α-helix	trans	-58.3	-27.4	173	178.8	174.4	54.6	171.7	-6	113	E271 R272 G273 G277	E271-R275 VanDerWaalsContact O-CB 3.26Å; E271-R275 WeakPolarHBondContact O-CB 3.44Å; E271-R275 PolarHBondContact O-N 3.12Å; R272-R275 PolarHBondContact O-N 3.12Å; G273-R275 PolarHBondContact O-N 2.76Å; R275-G277 VanDerWaalsContact C-N 3.31Å
276	H	98.1	Very high	97.9	Very high	88 Å²	88	43 Å²	43	41%	0.407	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	16.9	173.6	-71.1	-71.9	0	0	0	113.7	D250 R272 G273 S274 K278	D250-H276 IonicContact OD1-CD2 3.33Å; D250-H276 IonicContact OD1-NE2 2.72Å; D250-H276 PolarHBondContact OD1-NE2 2.95Å; R272-H276 PolarHBondContact O-CD2 3.46Å; R272-H276 PolarHBondContact O-N 3.02Å; G273-H276 CarbonylContact O-C 3.46Å; G273-H276 PolarHBondContact O-N 3.47Å; G273-H276 VanDerWaalsContact O-N 3.09Å; S274-H276 PolarHBondContact O-N 2.74Å; H276-K278 VanDerWaalsContact C-N 3.26Å; H276-K278 VanDerWaalsContact CB-NZ 3.32Å; H276-K278 PolarHBondContact O-N 2.88Å
277	G	97.3	Very high	97.9	Very high	73 Å²	73	43.1 Å²	43.1	75%	0.753	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	14.3	175.9	0	0	0	0	0	114.7	S274 R275	S274-G277 PolarHBondContact O-N 2.8Å; R275-G277 VanDerWaalsContact C-N 3.31Å
278	K	98.3	Very high	97.9	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.057	20%	0.196	C	C	.	.			trans	-87	145.2	178.7	-55.3	178.8	174.8	61.9	0	109.5	C249 D250 H251 I254 I257 G273 H276	C249-K278 WeakPolarHBondContact O-CE 3.44Å; C249-K278 PolarHBondContact O-NZ 3.42Å; D250-K278 PolarHBondContact O-NZ 2.65Å; H251-K278 WeakPolarHBondContact O-CE 3.32Å; H251-K278 PolarHBondContact O-NZ 2.73Å; H251-K278 VanDerWaalsContact O-NZ 3.11Å; I254-K278 HydrophobicContact CB-CD 4.42Å; I254-K278 HydrophobicContact CG2-CD 4.27Å; I254-K278 WeakPolarHBondContact O-CD 3.42Å; I254-K278 WeakPolarHBondContact O-CE 3.48Å; I254-K278 WeakPolarHBondContact O-CG 3.35Å; I257-K278 HydrophobicContact CD1-CD 3.68Å; I257-K278 HydrophobicContact CG1-CD 4.17Å; G273-K278 WeakPolarHBondContact O-CB 3.28Å; G273-K278 PolarHBondContact O-N 3.01Å; H276-K278 VanDerWaalsContact C-N 3.26Å; H276-K278 VanDerWaalsContact CB-NZ 3.32Å; H276-K278 PolarHBondContact O-N 2.88Å
279	R	97.9	Very high	97.9	Very high	90 Å²	90	36.1 Å²	36.1	34%	0.34	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.1	164.3	63.4	-177.8	66.2	-174.5	-3.3	109.4	K255 A256 I257 Q504 F505 T507	K255-R279 PolarHBondContact O-N 3.28Å; A256-R279 CarbonylContact C-O 3.41Å; A256-R279 WeakPolarHBondContact CA-O 3.41Å; A256-R279 HydrophobicContact CB-CG 3.38Å; I257-R279 PolarHBondContact N-O 3.48Å; R279-Q504 PolarHBondContact NH1-O 2.82Å; R279-F505 HydrophobicContact CB-CE2 4.02Å; R279-F505 WeakPolarHBondContact CD-O 3.49Å; R279-F505 HydrophobicContact CG-CD2 4.4Å; R279-F505 HydrophobicContact CG-CE2 3.75Å; R279-F505 HydrophobicContact CG-CZ 3.87Å; R279-F505 PolarHBondContact NH1-O 2.77Å; R279-T507 PolarHBondContact NH1-O 3.19Å
280	V	98.7	Very high	97.9	Very high	8 Å²	8	36 Å²	36	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.5	179.8	-170.5	0	0	0	0	109.7	I257 I269 F270 A282	I257-V280 HydrophobicContact CB-CG1 4.24Å; I257-V280 HydrophobicContact CB-CG2 4.28Å; I257-V280 HydrophobicContact CD1-CG2 4.45Å; I257-V280 HydrophobicContact CG2-CG1 4.46Å; I257-V280 WeakPolarHBondContact O-CA 3.48Å; I269-V280 HydrophobicContact CG2-CG1 4.31Å; F270-V280 HydrophobicContact CB-CG1 4.42Å; F270-V280 HydrophobicContact CD2-CB 3.79Å; F270-V280 HydrophobicContact CD2-CG1 3.96Å; F270-V280 HydrophobicContact CE2-CB 4.28Å; V280-A282 HydrophobicContact CG1-CB 4.46Å
281	Q	98.4	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.4	164.9	64.8	-177.6	4.7	0	0	107.8	I257 S258 F259 F491 T495 N496 F497 F505	I257-Q281 PolarHBondContact O-N 3.03Å; S258-Q281 PolarHBondContact OG-NE2 2.78Å; F259-Q281 PolarHBondContact N-O 3.01Å; Q281-F491 HydrophobicContact CB-CE2 4.13Å; Q281-F491 HydrophobicContact CB-CZ 4.17Å; Q281-T495 VanDerWaalsContact CB-O 3.3Å; Q281-T495 WeakPolarHBondContact CB-O 3.42Å; Q281-T495 PolarHBondContact OE1-O 3.47Å; Q281-N496 VanDerWaalsContact OE1-C 3.31Å; Q281-N496 PolarHBondContact OE1-O 3.23Å; Q281-F497 HydrophobicContact CB-CE2 4.3Å; Q281-F497 HydrophobicContact CB-CZ 4.35Å; Q281-F497 HydrophobicContact CG-CE1 4.08Å; Q281-F497 HydrophobicContact CG-CE2 4.07Å; Q281-F497 HydrophobicContact CG-CZ 3.74Å; Q281-F505 HydrophobicContact CB-CD2 4.08Å; Q281-F505 HydrophobicContact CB-CE2 3.75Å; Q281-F505 HydrophobicContact CB-CZ 4.11Å; Q281-F505 HydrophobicContact CG-CD1 4.12Å; Q281-F505 HydrophobicContact CG-CD2 4.04Å; Q281-F505 HydrophobicContact CG-CE1 3.82Å; Q281-F505 HydrophobicContact CG-CE2 3.72Å; Q281-F505 HydrophobicContact CG-CG 4.23Å; Q281-F505 HydrophobicContact CG-CZ 3.61Å
282	A	98.3	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	105	-175.1	0	0	0	0	0	109.9	F259 F270 V280 F491 R492	F259-A282 HydrophobicContact CB-CB 4.29Å; F259-A282 HydrophobicContact CD1-CB 3.97Å; F259-A282 CarbonylContact O-C 3.57Å; F259-A282 WeakPolarHBondContact O-CA 3.36Å; F270-A282 HydrophobicContact CB-CB 4.42Å; V280-A282 HydrophobicContact CG1-CB 4.46Å; A282-F491 CarbonylContact O-C 3.57Å; A282-F491 WeakPolarHBondContact O-CA 3.42Å; A282-F491 WeakPolarHBondContact O-CD2 3.04Å; A282-R492 HydrophobicContact CB-CB 4.27Å; A282-R492 PolarHBondContact N-O 3.12Å; A282-R492 PolarHBondContact O-N 3.06Å
283	N	97.6	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.4	170.2	-163.6	84	0	0	0	109.7	F259 V260 G261 F484 F497	F259-N283 PolarHBondContact O-N 3.02Å; V260-N283 WeakPolarHBondContact CA-O 3.31Å; V260-N283 HydrophobicContact CB-CB 4.45Å; V260-N283 HydrophobicContact CG1-CB 4.16Å; V260-N283 HydrophobicContact CG2-CB 4.03Å; G261-N283 PolarHBondContact N-O 2.74Å; N283-F484 VanDerWaalsContact OD1-CD1 3.25Å; N283-F484 WeakPolarHBondContact OD1-CD1 3.29Å; N283-F484 WeakPolarHBondContact OD1-CE1 3.49Å; N283-F497 HydrophobicContact CB-CD2 4.14Å; N283-F497 HydrophobicContact CB-CE2 3.54Å; N283-F497 HydrophobicContact CB-CZ 4.14Å
284	M	96	Very high	98	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.			trans	-116.1	-167.8	-169.2	-57.4	-167.1	-53.4	0	0	111	G261 E267 S489 S490 R492	G261-M284 CarbonylContact O-C 3.42Å; G261-M284 VanDerWaalsContact O-C 3.29Å; G261-M284 WeakPolarHBondContact O-CA 3.33Å; E267-M284 HydrophobicContact CG-CE 4.09Å; E267-M284 HydrophobicContact CG-SD 3.83Å; M284-S489 WeakPolarHBondContact CE-O 3.42Å; M284-S490 PolarHBondContact N-O 3.35Å; M284-R492 HydrophobicContact CE-CG 3.54Å; M284-R492 HydrophobicContact SD-CG 3.96Å
285	G	94.4	Very high	98	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	15%	0.149	C	C	.	.			trans	-66.3	173.8	-178.1	0	0	0	0	0	113.5	G261 N263 E417 Y443 S490	G261-G285 PolarHBondContact O-N 2.78Å; N263-G285 WeakPolarHBondContact OD1-CA 3.13Å; N263-G285 PolarHBondContact OD1-N 3.4Å; G285-E417 VanDerWaalsContact CA-OE2 3.28Å; G285-E417 WeakPolarHBondContact CA-OE2 2.95Å; G285-Y443 VanDerWaalsContact O-CD1 3.28Å; G285-Y443 WeakPolarHBondContact O-CD1 3.32Å; G285-S490 WeakPolarHBondContact O-CA 3.04Å; G285-S490 VanDerWaalsContact O-CB 3.32Å; G285-S490 WeakPolarHBondContact O-CB 3.46Å; G285-S490 PolarHBondContact O-OG 3.31Å
286	A	97	Very high	98	Very high	3 Å²	3	20.5 Å²	20.5	3%	0.025	12%	0.121	C	C	.	.			trans	-144.9	161.3	-173.6	0	0	0	0	0	113.1	C317 E417 N445	A286-C317 WeakPolarHBondContact CB-O 3.41Å; A286-E417 PolarHBondContact N-OE1 3.27Å; A286-E417 WeakPolarHBondContact O-CB 3.31Å; A286-E417 VanDerWaalsContact O-CG 3.23Å; A286-E417 WeakPolarHBondContact O-CG 3.38Å; A286-N445 HydrophobicContact CB-CB 3.54Å
287	K	97.7	Very high	98	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.013	13%	0.126	C	C	.	.			trans	-143.6	89.6	163.2	-166.6	80.8	178.9	-163.6	0	106.4	H289 T322 C413 Y414 E416 N441 Y443	K287-H289 PolarHBondContact O-CE1 3.45Å; K287-H289 PolarHBondContact O-ND1 3.27Å; K287-T322 WeakPolarHBondContact CE-OG1 3.49Å; K287-C413 PolarHBondContact NZ-O 2.95Å; K287-Y414 WeakPolarHBondContact CD-O 3.3Å; K287-Y414 WeakPolarHBondContact CE-O 3.32Å; K287-Y414 PolarHBondContact NZ-O 3.34Å; K287-E416 PolarHBondContact NZ-O 2.86Å; K287-N441 PolarHBondContact O-ND2 3.49Å; K287-Y443 HydrophobicContact CB-CD2 3.61Å; K287-Y443 HydrophobicContact CB-CE2 4.24Å; K287-Y443 HydrophobicContact CB-CG 4.28Å
288	N	98.6	Very high	98	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.037	10%	0.102	C	C	.	.			trans	-87.8	142.3	-172.4	-51.2	-55.1	0	0	0	110.7	C317 M318 A319 S321 T322 G446	N288-C317 PolarHBondContact ND2-O 3.25Å; N288-M318 VanDerWaalsContact ND2-CA 3.31Å; N288-M318 WeakPolarHBondContact ND2-CA 3.3Å; N288-A319 WeakPolarHBondContact CB-O 3.3Å; N288-A319 PolarHBondContact ND2-O 3.46Å; N288-S321 PolarHBondContact O-N 3.45Å; N288-T322 WeakPolarHBondContact O-CB 3.38Å; N288-T322 PolarHBondContact O-N 3.22Å; N288-T322 VanDerWaalsContact O-N 3.15Å; N288-G446 WeakPolarHBondContact CA-O 3.25Å; N288-G446 WeakPolarHBondContact CB-O 3.46Å; N288-G446 WeakPolarHBondContact OD1-CA 3.46Å; N288-G446 PolarHBondContact OD1-N 2.9Å; N288-G446 PolarHBondContact OD1-O 3.42Å
289	H	98.7	Very high	98	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.4	-177.4	-62.3	63.5	0	0	0	111	K287 T322 Y414 V438 T447 A448	K287-H289 PolarHBondContact O-CE1 3.45Å; K287-H289 PolarHBondContact O-ND1 3.27Å; H289-T322 CarbonylContact C-O 3.52Å; H289-T322 VanDerWaalsContact CA-O 3.28Å; H289-T322 WeakPolarHBondContact CA-O 3.47Å; H289-T322 WeakPolarHBondContact CD2-CG2 3.39Å; H289-Y414 AromaticContact NE2-CE2 3.5Å; H289-Y414 WeakPolarHBondContact NE2-CE2 3.37Å; H289-Y414 AromaticContact NE2-CZ 3.53Å; H289-Y414 PolarHBondContact NE2-OH 2.95Å; H289-V438 HydrophobicContact CB-CG2 3.59Å; H289-T447 CarbonylContact O-C 3.56Å; H289-T447 WeakPolarHBondContact O-CA 3.15Å; H289-T447 PolarHBondContact O-OG1 3.46Å; H289-A448 PolarHBondContact O-N 3.43Å
290	G	98.6	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	109.2	165.8	0	0	0	0	0	109.9	T322 A323 V324 A448	G290-T322 PolarHBondContact N-O 3.29Å; G290-A323 WeakPolarHBondContact O-CA 3.46Å; G290-V324 PolarHBondContact O-N 2.98Å; G290-A448 CarbonylContact C-O 3.53Å; G290-A448 WeakPolarHBondContact CA-O 3.35Å
291	V	98.9	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.7	175.8	-179.6	0	0	0	0	109.1	M293 V324 V326 L431 A434 V438 A448 I449 F450 Y460	V291-M293 HydrophobicContact CG1-SD 4.24Å; V291-V324 WeakPolarHBondContact CA-O 3.33Å; V291-V324 HydrophobicContact CG2-CB 4.26Å; V291-V326 HydrophobicContact CG1-CG2 3.78Å; V291-L431 HydrophobicContact CG1-CD1 4.35Å; V291-A434 HydrophobicContact CG1-CB 3.73Å; V291-A434 HydrophobicContact CG2-CB 4.13Å; V291-V438 HydrophobicContact CG2-CG2 4.13Å; V291-A448 PolarHBondContact N-O 3.35Å; V291-I449 HydrophobicContact CB-CG1 4.41Å; V291-I449 CarbonylContact O-C 3.59Å; V291-I449 WeakPolarHBondContact O-CA 3.49Å; V291-F450 PolarHBondContact O-N 2.81Å; V291-Y460 HydrophobicContact CB-CE2 4.2Å; V291-Y460 HydrophobicContact CG2-CE2 3.7Å
292	V	98.9	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.6	-176.5	-174.4	0	0	0	0	109.4	A296 T301 L305 V324 L325 V326 A329 W332 F450	V292-A296 HydrophobicContact CG1-CB 4.47Å; V292-T301 HydrophobicContact CG1-CG2 3.81Å; V292-T301 HydrophobicContact CG2-CG2 3.97Å; V292-L305 HydrophobicContact CG2-CD1 3.97Å; V292-V324 PolarHBondContact N-O 3.19Å; V292-L325 HydrophobicContact CB-CD2 3.82Å; V292-L325 HydrophobicContact CG1-CD2 4.37Å; V292-L325 HydrophobicContact CG2-CD2 3.82Å; V292-V326 WeakPolarHBondContact O-CB 3.14Å; V292-V326 PolarHBondContact O-N 2.78Å; V292-A329 HydrophobicContact CB-CB 4.45Å; V292-A329 HydrophobicContact CG1-CB 4.01Å; V292-W332 HydrophobicContact CG1-CE3 3.77Å; V292-W332 HydrophobicContact CG1-CH2 4.32Å; V292-W332 HydrophobicContact CG1-CZ3 3.4Å; V292-W332 VanDerWaalsContact CG1-CZ3 3.4Å; V292-F450 HydrophobicContact CG2-CD2 3.97Å
293	M	98.9	Very high	98	Very high	20 Å²	20	27.4 Å²	27.4	10%	0.099	15%	0.146	C	C	.	.			trans	-87	152.4	175.9	-59.4	-57.7	-59.4	0	0	111.2	V291 D295 A296 V326 L431 I449 F450 T456	V291-M293 HydrophobicContact CG1-SD 4.24Å; M293-D295 WeakPolarHBondContact CB-OD1 3.32Å; M293-D295 PolarHBondContact O-N 3.17Å; M293-D295 VanDerWaalsContact O-N 3.14Å; M293-A296 VanDerWaalsContact O-CB 3.25Å; M293-A296 WeakPolarHBondContact O-CB 3.44Å; M293-A296 PolarHBondContact O-N 3.02Å; M293-V326 HydrophobicContact CE-CB 4.37Å; M293-V326 HydrophobicContact CE-CG1 4Å; M293-V326 HydrophobicContact SD-CB 3.94Å; M293-V326 HydrophobicContact SD-CG1 4.1Å; M293-V326 HydrophobicContact SD-CG2 3.82Å; M293-L431 HydrophobicContact CE-CB 4.09Å; M293-L431 HydrophobicContact SD-CB 4.23Å; M293-L431 HydrophobicContact SD-CD1 3.93Å; M293-I449 HydrophobicContact CG-CD1 4.09Å; M293-I449 HydrophobicContact CG-CG1 4.24Å; M293-F450 WeakPolarHBondContact CB-O 3.2Å; M293-F450 PolarHBondContact N-O 3.3Å; M293-T456 HydrophobicContact CE-CG2 4.31Å; M293-T456 HydrophobicContact CG-CG2 3.78Å; M293-T456 HydrophobicContact SD-CG2 4.28Å
294	P	98.6	Very high	98	Very high	56 Å²	56	29.4 Å²	29.4	36%	0.364	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.4	178.2	-29.7	37.5	0	0	0	115.3	A296 V326 E328	P294-A296 VanDerWaalsContact C-N 3.31Å; P294-V326 WeakPolarHBondContact CD-O 3.49Å; P294-V326 VanDerWaalsContact CG-O 3.3Å; P294-V326 WeakPolarHBondContact CG-O 3.36Å; P294-E328 HydrophobicContact CB-CB 4.06Å; P294-E328 HydrophobicContact CG-CB 4.17Å
295	D	98.6	Very high	98.1	Very high	56 Å²	56	29.4 Å²	29.4	30%	0.299	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.5	-178	76.6	-56.1	0	0	0	112.9	M293 T451 T452 N453	M293-D295 WeakPolarHBondContact CB-OD1 3.32Å; M293-D295 PolarHBondContact O-N 3.17Å; M293-D295 VanDerWaalsContact O-N 3.14Å; D295-T451 VanDerWaalsContact CG-OG1 3.22Å; D295-T451 PolarHBondContact OD1-OG1 3.24Å; D295-T451 PolarHBondContact OD2-OG1 3.24Å; D295-T452 VanDerWaalsContact O-CG2 3.29Å; D295-T452 WeakPolarHBondContact O-CG2 3.44Å; D295-T452 PolarHBondContact O-OG1 3.38Å; D295-T452 VanDerWaalsContact O-OG1 3.05Å; D295-T452 WeakPolarHBondContact OD2-CA 3.42Å; D295-T452 PolarHBondContact OD2-N 3.25Å; D295-T452 PolarHBondContact OD2-OG1 2.87Å; D295-N453 WeakPolarHBondContact OD2-CB 3.47Å; D295-N453 PolarHBondContact OD2-N 3.02Å
296	A	98.6	Very high	98.2	Very high	9 Å²	9	29.8 Å²	29.8	7%	0.074	16%	0.157	C	C	.	.	S	Bend	trans	-64.2	153.1	176.6	0	0	0	0	0	111.3	V292 M293 P294 K298 W332 F450	V292-A296 HydrophobicContact CG1-CB 4.47Å; M293-A296 VanDerWaalsContact O-CB 3.25Å; M293-A296 WeakPolarHBondContact O-CB 3.44Å; M293-A296 PolarHBondContact O-N 3.02Å; P294-A296 VanDerWaalsContact C-N 3.31Å; A296-K298 PolarHBondContact O-N 3.04Å; A296-W332 HydrophobicContact CB-CH2 3.99Å; A296-W332 HydrophobicContact CB-CZ3 4.15Å; A296-W332 WeakPolarHBondContact O-CH2 3.32Å; A296-F450 HydrophobicContact CB-CB 3.81Å; A296-F450 WeakPolarHBondContact CB-O 3.18Å
297	N	98.3	Very high	98.3	Very high	93 Å²	93	31.6 Å²	31.6	50%	0.497	18%	0.176	S	C	.	.			trans	-66.9	104.9	167.4	-178.2	-48.3	0	0	0	108.7	N300 T301	N297-N300 HydrophobicContact CB-CB 4.14Å; N297-N300 VanDerWaalsContact OD1-CB 3.29Å; N297-N300 WeakPolarHBondContact OD1-CB 3.48Å; N297-N300 PolarHBondContact OD1-N 3.29Å; N297-N300 VanDerWaalsContact OD1-N 3.1Å; N297-T301 VanDerWaalsContact O-CB 3.25Å; N297-T301 WeakPolarHBondContact O-CB 3.42Å; N297-T301 PolarHBondContact O-N 3.19Å; N297-T301 PolarHBondContact O-OG1 2.91Å
298	K	98.2	Very high	98.2	Very high	59 Å²	59	31.5 Å²	31.5	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-55.3	-60.4	-172.4	-176.9	-179.9	-174.8	-169.6	0	113	A296 N300 T301 L302 W332 E335	A296-K298 PolarHBondContact O-N 3.04Å; K298-N300 VanDerWaalsContact C-N 3.32Å; K298-N300 PolarHBondContact O-N 2.98Å; K298-T301 WeakPolarHBondContact O-CB 3.2Å; K298-T301 PolarHBondContact O-N 3.2Å; K298-L302 HydrophobicContact CG-CD1 4Å; K298-L302 HydrophobicContact CG-CG 4.38Å; K298-L302 WeakPolarHBondContact O-CG 3.34Å; K298-L302 PolarHBondContact O-N 3.41Å; K298-W332 HydrophobicContact CB-CD2 4.38Å; K298-W332 HydrophobicContact CB-CE3 4.32Å; K298-W332 HydrophobicContact CB-CH2 3.99Å; K298-W332 HydrophobicContact CB-CZ2 4.04Å; K298-W332 HydrophobicContact CB-CZ3 4.13Å; K298-W332 HydrophobicContact CD-CD2 4.05Å; K298-W332 HydrophobicContact CD-CG 4.12Å; K298-W332 HydrophobicContact CD-CZ2 4.46Å; K298-W332 VanDerWaalsContact CE-CD1 3.46Å; K298-W332 HydrophobicContact CG-CD2 3.7Å; K298-W332 HydrophobicContact CG-CE3 3.87Å; K298-W332 HydrophobicContact CG-CG 4.13Å; K298-W332 HydrophobicContact CG-CH2 4.37Å; K298-W332 HydrophobicContact CG-CZ2 4.22Å; K298-W332 HydrophobicContact CG-CZ3 4.2Å; K298-E335 VanDerWaalsContact CE-CD 3.46Å; K298-E335 VanDerWaalsContact CE-OE1 3.24Å; K298-E335 WeakPolarHBondContact CE-OE1 3.44Å; K298-E335 WeakPolarHBondContact CE-OE2 3.37Å; K298-E335 IonicContact NZ-OE1 3.79Å; K298-E335 PolarHBondContact NZ-OE1 3.39Å; K298-E335 IonicContact NZ-OE2 2.94Å; K298-E335 PolarHBondContact NZ-OE2 3.49Å
299	E	97.6	Very high	98.2	Very high	92 Å²	92	31.2 Å²	31.2	43%	0.43	17%	0.174	S	C	.	.	H	α-helix	trans	-57.7	-44.9	-176.5	-72	-52.4	126.9	0	0	112.5	T301 N303 H339	E299-T301 VanDerWaalsContact C-N 3.33Å; E299-T301 PolarHBondContact O-N 2.83Å; E299-N303 PolarHBondContact O-N 2.63Å; E299-N303 VanDerWaalsContact O-N 3.16Å; E299-N303 PolarHBondContact O-ND2 3.21Å; E299-H339 IonicContact OE2-CE1 2.84Å; E299-H339 PolarHBondContact OE2-CE1 3.15Å; E299-H339 IonicContact OE2-NE2 3.67Å
300	N	97.6	Very high	98.2	Very high	79 Å²	79	31.2 Å²	31.2	42%	0.422	17%	0.174	S	C	.	.	H	α-helix	trans	-64.6	-40.8	177.8	-170.2	20.6	0	0	0	111.4	N297 K298 Q304	N297-N300 HydrophobicContact CB-CB 4.14Å; N297-N300 VanDerWaalsContact OD1-CB 3.29Å; N297-N300 WeakPolarHBondContact OD1-CB 3.48Å; N297-N300 PolarHBondContact OD1-N 3.29Å; N297-N300 VanDerWaalsContact OD1-N 3.1Å; K298-N300 VanDerWaalsContact C-N 3.32Å; K298-N300 PolarHBondContact O-N 2.98Å; N300-Q304 PolarHBondContact ND2-NE2 3.49Å; N300-Q304 VanDerWaalsContact ND2-NE2 3.12Å; N300-Q304 WeakPolarHBondContact O-CB 3.16Å; N300-Q304 VanDerWaalsContact O-CG 3.26Å; N300-Q304 WeakPolarHBondContact O-CG 3.28Å; N300-Q304 PolarHBondContact O-N 3.37Å; N300-Q304 PolarHBondContact OD1-NE2 3.22Å
301	T	98.6	Very high	98	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-46.6	179.5	-59.2	0	0	0	0	111.7	V292 N297 K298 E299 N303 Q304 L305 F450	V292-T301 HydrophobicContact CG1-CG2 3.81Å; V292-T301 HydrophobicContact CG2-CG2 3.97Å; N297-T301 VanDerWaalsContact O-CB 3.25Å; N297-T301 WeakPolarHBondContact O-CB 3.42Å; N297-T301 PolarHBondContact O-N 3.19Å; N297-T301 PolarHBondContact O-OG1 2.91Å; K298-T301 WeakPolarHBondContact O-CB 3.2Å; K298-T301 PolarHBondContact O-N 3.2Å; E299-T301 VanDerWaalsContact C-N 3.33Å; E299-T301 PolarHBondContact O-N 2.83Å; T301-N303 PolarHBondContact O-N 3.13Å; T301-Q304 PolarHBondContact O-N 3.43Å; T301-L305 HydrophobicContact CG2-CD1 3.99Å; T301-L305 HydrophobicContact CG2-CG 4.27Å; T301-L305 VanDerWaalsContact O-CG 3.29Å; T301-L305 WeakPolarHBondContact O-CG 3.49Å; T301-L305 PolarHBondContact O-N 3.23Å; T301-F450 HydrophobicContact CG2-CB 3.82Å; T301-F450 HydrophobicContact CG2-CD1 3.8Å; T301-F450 HydrophobicContact CG2-CD2 3.93Å; T301-F450 HydrophobicContact CG2-CE1 4.35Å; T301-F450 HydrophobicContact CG2-CE2 4.45Å; T301-F450 HydrophobicContact CG2-CG 3.56Å
302	L	98.4	Very high	97.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-47.6	178.5	-66.7	179.3	0	0	0	111.6	K298 Q304 L305 V306 W332 E335 L336	K298-L302 HydrophobicContact CG-CD1 4Å; K298-L302 HydrophobicContact CG-CG 4.38Å; K298-L302 WeakPolarHBondContact O-CG 3.34Å; K298-L302 PolarHBondContact O-N 3.41Å; L302-Q304 VanDerWaalsContact C-N 3.33Å; L302-Q304 PolarHBondContact O-N 2.92Å; L302-L305 PolarHBondContact O-N 3.2Å; L302-V306 WeakPolarHBondContact O-CG2 3Å; L302-V306 PolarHBondContact O-N 2.93Å; L302-W332 HydrophobicContact CD2-CB 4.29Å; L302-E335 HydrophobicContact CD1-CB 3.72Å; L302-L336 HydrophobicContact CD2-CB 3.74Å; L302-L336 HydrophobicContact CD2-CD1 4.04Å; L302-L336 HydrophobicContact CD2-CG 4.4Å
303	N	97.6	Very high	97.7	Very high	90 Å²	90	31.9 Å²	31.9	48%	0.481	18%	0.181	S	C	.	.	H	α-helix	trans	-61.2	-41.5	176.5	-72.4	-40	0	0	0	112.4	E299 T301 V306 G307 H339	E299-N303 PolarHBondContact O-N 2.63Å; E299-N303 VanDerWaalsContact O-N 3.16Å; E299-N303 PolarHBondContact O-ND2 3.21Å; T301-N303 PolarHBondContact O-N 3.13Å; N303-V306 PolarHBondContact O-N 3.35Å; N303-G307 PolarHBondContact O-N 3.43Å; N303-H339 PolarHBondContact OD1-CE1 2.88Å; N303-H339 PolarHBondContact OD1-ND1 3.1Å
304	Q	97.8	Very high	97.6	Very high	41 Å²	41	31.1 Å²	31.1	19%	0.192	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-40.1	177.7	-78.7	-175.3	68.9	0	0	113	N300 T301 L302 A308 F450 N472 P474	N300-Q304 PolarHBondContact ND2-NE2 3.49Å; N300-Q304 VanDerWaalsContact ND2-NE2 3.12Å; N300-Q304 WeakPolarHBondContact O-CB 3.16Å; N300-Q304 VanDerWaalsContact O-CG 3.26Å; N300-Q304 WeakPolarHBondContact O-CG 3.28Å; N300-Q304 PolarHBondContact O-N 3.37Å; N300-Q304 PolarHBondContact OD1-NE2 3.22Å; T301-Q304 PolarHBondContact O-N 3.43Å; L302-Q304 VanDerWaalsContact C-N 3.33Å; L302-Q304 PolarHBondContact O-N 2.92Å; Q304-A308 VanDerWaalsContact O-CB 3.23Å; Q304-A308 WeakPolarHBondContact O-CB 3.32Å; Q304-A308 PolarHBondContact O-N 3.33Å; Q304-F450 HydrophobicContact CB-CE1 4.17Å; Q304-N472 PolarHBondContact OE1-O 3.24Å; Q304-N472 VanDerWaalsContact OE1-O 3.07Å; Q304-P474 HydrophobicContact CB-CG 3.98Å; Q304-P474 HydrophobicContact CG-CG 4.44Å
305	L	98.3	Very high	97.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-45.2	175	-72.5	171.7	0	0	0	111.2	V292 T301 L302 A308 A309 L320 A323 L336 F450	V292-L305 HydrophobicContact CG2-CD1 3.97Å; T301-L305 HydrophobicContact CG2-CD1 3.99Å; T301-L305 HydrophobicContact CG2-CG 4.27Å; T301-L305 VanDerWaalsContact O-CG 3.29Å; T301-L305 WeakPolarHBondContact O-CG 3.49Å; T301-L305 PolarHBondContact O-N 3.23Å; L302-L305 PolarHBondContact O-N 3.2Å; L305-A308 PolarHBondContact O-N 3.4Å; L305-A309 VanDerWaalsContact O-CB 3.24Å; L305-A309 WeakPolarHBondContact O-CB 3.48Å; L305-A309 PolarHBondContact O-N 3.32Å; L305-L320 HydrophobicContact CD2-CD1 3.92Å; L305-L320 HydrophobicContact CD2-CD2 3.77Å; L305-L320 HydrophobicContact CD2-CG 4.49Å; L305-A323 HydrophobicContact CD2-CB 4.5Å; L305-L336 HydrophobicContact CB-CD1 3.97Å; L305-L336 HydrophobicContact CD1-CD1 4.26Å; L305-L336 HydrophobicContact CD1-CD2 4.39Å; L305-F450 HydrophobicContact CD2-CE2 3.92Å; L305-F450 HydrophobicContact CD2-CZ 4.33Å
306	V	98	Very high	97.5	Very high	10 Å²	10	27.8 Å²	27.8	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-51.6	177.7	170	0	0	0	0	110.8	L302 N303 A308 A309 F310 L336 H339 A340 L343	L302-V306 WeakPolarHBondContact O-CG2 3Å; L302-V306 PolarHBondContact O-N 2.93Å; N303-V306 PolarHBondContact O-N 3.35Å; V306-A308 VanDerWaalsContact C-N 3.28Å; V306-A308 PolarHBondContact O-N 3Å; V306-A309 PolarHBondContact O-N 2.82Å; V306-F310 HydrophobicContact CB-CD2 4.31Å; V306-F310 HydrophobicContact CG1-CD2 3.95Å; V306-F310 HydrophobicContact CG1-CE2 4.5Å; V306-F310 HydrophobicContact CG2-CE2 4.41Å; V306-F310 WeakPolarHBondContact O-CB 3.37Å; V306-F310 WeakPolarHBondContact O-CD2 3.46Å; V306-F310 PolarHBondContact O-N 3.04Å; V306-L336 HydrophobicContact CG2-CD1 3.88Å; V306-H339 HydrophobicContact CG2-CB 3.77Å; V306-A340 HydrophobicContact CG2-CB 4.33Å; V306-L343 HydrophobicContact CG1-CD1 3.69Å; V306-L343 HydrophobicContact CG1-CD2 3.83Å; V306-L343 HydrophobicContact CG1-CG 3.88Å
307	G	97.1	Very high	97.4	Very high	42 Å²	42	28 Å²	28	43%	0.433	15%	0.154	S	C	.	.	H	α-helix	trans	-59.7	-38.5	178.8	0	0	0	0	0	113.1	N303 G311	N303-G307 PolarHBondContact O-N 3.43Å; G307-G311 WeakPolarHBondContact O-CA 3.36Å; G307-G311 PolarHBondContact O-N 3.38Å; G307-G311 VanDerWaalsContact O-N 3.08Å
308	A	97.6	Very high	97.3	Very high	1 Å²	1	24 Å²	24	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-80.8	-29.3	-176.8	0	0	0	0	0	115	Q304 L305 V306 A319 L320 P474 I475	Q304-A308 VanDerWaalsContact O-CB 3.23Å; Q304-A308 WeakPolarHBondContact O-CB 3.32Å; Q304-A308 PolarHBondContact O-N 3.33Å; L305-A308 PolarHBondContact O-N 3.4Å; V306-A308 VanDerWaalsContact C-N 3.28Å; V306-A308 PolarHBondContact O-N 3Å; A308-A319 WeakPolarHBondContact O-CA 3.49Å; A308-L320 HydrophobicContact CB-CB 3.72Å; A308-L320 HydrophobicContact CB-CD1 4.49Å; A308-L320 PolarHBondContact O-N 3.23Å; A308-P474 HydrophobicContact CB-CB 3.41Å; A308-P474 VanDerWaalsContact CB-CB 3.41Å; A308-P474 HydrophobicContact CB-CG 3.81Å; A308-I475 HydrophobicContact CB-CD1 3.99Å; A308-I475 HydrophobicContact CB-CG1 3.86Å
309	A	98.1	Very high	97.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-79.5	-41	176.7	0	0	0	0	0	111.9	L305 V306 G314 L320 L423	L305-A309 VanDerWaalsContact O-CB 3.24Å; L305-A309 WeakPolarHBondContact O-CB 3.48Å; L305-A309 PolarHBondContact O-N 3.32Å; V306-A309 PolarHBondContact O-N 2.82Å; A309-G314 WeakPolarHBondContact O-CA 3.31Å; A309-L320 WeakPolarHBondContact CA-O 3.02Å; A309-L320 WeakPolarHBondContact CB-O 3.47Å; A309-L423 HydrophobicContact CB-CB 4.03Å; A309-L423 HydrophobicContact CB-CD1 4.12Å; A309-L423 HydrophobicContact CB-CD2 4.32Å; A309-L423 HydrophobicContact CB-CG 4.4Å
310	F	98.2	Very high	97.3	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.009	10%	0.103	C	C	.	.	H	α-helix	trans	-107.6	-20.1	-166.3	-55.9	-61	0	0	0	114.3	V306 A313 G314 A340 L343 L355 P401 I403 P421 L423	V306-F310 HydrophobicContact CB-CD2 4.31Å; V306-F310 HydrophobicContact CG1-CD2 3.95Å; V306-F310 HydrophobicContact CG1-CE2 4.5Å; V306-F310 HydrophobicContact CG2-CE2 4.41Å; V306-F310 WeakPolarHBondContact O-CB 3.37Å; V306-F310 WeakPolarHBondContact O-CD2 3.46Å; V306-F310 PolarHBondContact O-N 3.04Å; F310-A313 VanDerWaalsContact O-CA 3.24Å; F310-A313 WeakPolarHBondContact O-CA 3.31Å; F310-A313 PolarHBondContact O-N 3.24Å; F310-G314 PolarHBondContact O-N 3.39Å; F310-A340 HydrophobicContact CD2-CB 4.38Å; F310-A340 HydrophobicContact CE2-CB 3.63Å; F310-A340 HydrophobicContact CZ-CB 4.1Å; F310-L343 HydrophobicContact CB-CD1 3.51Å; F310-L343 HydrophobicContact CD2-CD1 3.62Å; F310-L343 HydrophobicContact CG-CD1 3.74Å; F310-L355 HydrophobicContact CB-CD1 4.1Å; F310-P401 HydrophobicContact CD1-CB 3.88Å; F310-P401 HydrophobicContact CD2-CB 4.45Å; F310-P401 HydrophobicContact CE1-CB 3.84Å; F310-P401 HydrophobicContact CE2-CB 4.43Å; F310-P401 HydrophobicContact CG-CB 4.2Å; F310-P401 HydrophobicContact CZ-CB 4.13Å; F310-I403 HydrophobicContact CZ-CD1 4.32Å; F310-I403 HydrophobicContact CZ-CG1 3.89Å; F310-P421 HydrophobicContact CD1-CB 3.93Å; F310-P421 WeakPolarHBondContact CD1-O 3.18Å; F310-P421 WeakPolarHBondContact CE1-O 3.48Å; F310-L423 HydrophobicContact CE1-CB 4.31Å; F310-L423 HydrophobicContact CZ-CB 3.9Å
311	G	94.4	Very high	97.3	Very high	11 Å²	11	14.1 Å²	14.1	11%	0.113	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-55	142	177.2	0	0	0	0	0	112.6	G307 A313 G314 R316	G307-G311 WeakPolarHBondContact O-CA 3.36Å; G307-G311 PolarHBondContact O-N 3.38Å; G307-G311 VanDerWaalsContact O-N 3.08Å; G311-A313 PolarHBondContact O-N 3.4Å; G311-G314 PolarHBondContact O-N 3.48Å; G311-R316 PolarHBondContact O-NE 3.43Å
312	A	94.4	Very high	97.3	Very high	2 Å²	2	14 Å²	14	2%	0.017	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	47.7	35.4	-167.7	0	0	0	0	0	114.1	K129 D133 G314 Q315 R316	K129-A312 HydrophobicContact CB-CB 4.18Å; D133-A312 WeakPolarHBondContact OD2-CA 3.4Å; D133-A312 PolarHBondContact OD2-N 2.92Å; A312-G314 PolarHBondContact O-N 2.82Å; A312-Q315 PolarHBondContact O-N 3.47Å; A312-Q315 VanDerWaalsContact O-N 3.17Å; A312-R316 HydrophobicContact CB-CG 4.14Å; A312-R316 VanDerWaalsContact CB-NE 3.31Å
313	A	96.8	Very high	97.4	Very high	1 Å²	1	14 Å²	14	1%	0.008	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	55.1	33	-175	0	0	0	0	0	113.5	F310 G311 Q315 L355 G356 L358 G420 P421	F310-A313 VanDerWaalsContact O-CA 3.24Å; F310-A313 WeakPolarHBondContact O-CA 3.31Å; F310-A313 PolarHBondContact O-N 3.24Å; G311-A313 PolarHBondContact O-N 3.4Å; A313-Q315 PolarHBondContact O-N 3.15Å; A313-Q315 VanDerWaalsContact O-N 3.1Å; A313-L355 HydrophobicContact CB-CD2 4.27Å; A313-L355 HydrophobicContact CB-CG 4.25Å; A313-G356 WeakPolarHBondContact CB-O 3.41Å; A313-L358 HydrophobicContact CB-CD2 4.18Å; A313-G420 CarbonylContact O-C 3.58Å; A313-G420 VanDerWaalsContact O-CA 3.23Å; A313-G420 WeakPolarHBondContact O-CA 3.48Å; A313-P421 VanDerWaalsContact O-CD 3.23Å; A313-P421 WeakPolarHBondContact O-CD 3.31Å; A313-P421 VanDerWaalsContact O-N 3.11Å
314	G	96.6	Very high	97.4	Very high	3 Å²	3	9.7 Å²	9.7	3%	0.031	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	67.4	6.3	-179.3	0	0	0	0	0	115.1	A309 F310 G311 A312 R316	A309-G314 WeakPolarHBondContact O-CA 3.31Å; F310-G314 PolarHBondContact O-N 3.39Å; G311-G314 PolarHBondContact O-N 3.48Å; A312-G314 PolarHBondContact O-N 2.82Å; G314-R316 PolarHBondContact O-N 3.46Å
315	Q	98.3	Very high	97.5	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.014	6%	0.056	C	C	.	.			trans	-80	51.2	179.1	-63.8	173	110.4	0	0	111.3	F185 N186 A312 A313 P357 L358 F419	F185-Q315 HydrophobicContact CE2-CB 4.37Å; F185-Q315 HydrophobicContact CE2-CG 4.49Å; N186-Q315 WeakPolarHBondContact CB-O 3.38Å; N186-Q315 PolarHBondContact ND2-O 3.16Å; N186-Q315 VanDerWaalsContact ND2-O 3.16Å; A312-Q315 PolarHBondContact O-N 3.47Å; A312-Q315 VanDerWaalsContact O-N 3.17Å; A313-Q315 PolarHBondContact O-N 3.15Å; A313-Q315 VanDerWaalsContact O-N 3.1Å; Q315-P357 PolarHBondContact NE2-O 2.86Å; Q315-L358 HydrophobicContact CG-CD2 3.68Å; Q315-F419 VanDerWaalsContact C-CZ 3.42Å; Q315-F419 HydrophobicContact CB-CD1 3.9Å; Q315-F419 HydrophobicContact CB-CE1 3.67Å; Q315-F419 HydrophobicContact CB-CZ 4.37Å; Q315-F419 HydrophobicContact CG-CD1 4.01Å; Q315-F419 HydrophobicContact CG-CE1 4.25Å; Q315-F419 WeakPolarHBondContact CG-O 3.41Å; Q315-F419 WeakPolarHBondContact O-CZ 3.5Å
316	R	97.2	Very high	97.5	Very high	39 Å²	39	8 Å²	8	15%	0.147	6%	0.057	C	C	.	.			trans	-128.7	134.5	-179.8	-52.6	177.6	179.5	-177.1	-1.1	109	D133 F187 G311 A312 G314 M318 A319	D133-R316 IonicContact OD1-CZ 2.88Å; D133-R316 IonicContact OD1-NH2 2.62Å; D133-R316 PolarHBondContact OD1-NH2 2.83Å; D133-R316 IonicContact OD2-NH2 2.87Å; D133-R316 PolarHBondContact OD2-NH2 2.86Å; F187-R316 HydrophobicContact CE2-CB 4.23Å; F187-R316 HydrophobicContact CE2-CG 4.22Å; F187-R316 HydrophobicContact CZ-CB 4.25Å; F187-R316 HydrophobicContact CZ-CG 3.85Å; G311-R316 PolarHBondContact O-NE 3.43Å; A312-R316 HydrophobicContact CB-CG 4.14Å; A312-R316 VanDerWaalsContact CB-NE 3.31Å; G314-R316 PolarHBondContact O-N 3.46Å; R316-M318 PolarHBondContact O-N 2.8Å; R316-M318 VanDerWaalsContact O-N 3.14Å; R316-A319 HydrophobicContact CB-CB 3.99Å; R316-A319 VanDerWaalsContact O-CB 3.25Å; R316-A319 WeakPolarHBondContact O-CB 3.09Å; R316-A319 PolarHBondContact O-N 2.86Å
317	C	96.1	Very high	97.5	Very high	13 Å²	13	8.4 Å²	8.4	9%	0.088	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.7	170.9	59.5	0	0	0	0	112.2	A286 N288 N445	A286-C317 WeakPolarHBondContact CB-O 3.41Å; N288-C317 PolarHBondContact ND2-O 3.25Å; C317-N445 PolarHBondContact O-ND2 2.95Å
318	M	97.7	Very high	97.6	Very high	9 Å²	9	11.7 Å²	11.7	4%	0.044	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.5	174.3	-65.7	-65.4	-66.9	0	0	113	N288 R316 L320 N445 Q468 I475 P476 V477 F484	N288-M318 VanDerWaalsContact ND2-CA 3.31Å; N288-M318 WeakPolarHBondContact ND2-CA 3.3Å; R316-M318 PolarHBondContact O-N 2.8Å; R316-M318 VanDerWaalsContact O-N 3.14Å; M318-L320 PolarHBondContact O-N 2.91Å; M318-N445 PolarHBondContact SD-ND2 3.29Å; M318-N445 VanDerWaalsContact SD-ND2 3.41Å; M318-Q468 HydrophobicContact CE-CB 4.42Å; M318-I475 HydrophobicContact CB-CG2 4.02Å; M318-P476 HydrophobicContact CE-CG 3.8Å; M318-V477 HydrophobicContact CB-CG2 4.16Å; M318-V477 HydrophobicContact CE-CG2 4.3Å; M318-V477 HydrophobicContact CG-CG2 3.79Å; M318-F484 HydrophobicContact CG-CE2 3.87Å; M318-F484 HydrophobicContact CG-CZ 3.87Å; M318-F484 HydrophobicContact SD-CE2 4.07Å; M318-F484 HydrophobicContact SD-CZ 3.77Å
319	A	97.9	Very high	97.6	Very high	6 Å²	6	11.7 Å²	11.7	5%	0.05	7%	0.067	C	C	.	.			trans	-59.7	135.7	171.7	0	0	0	0	0	108.9	N288 A308 R316 S321	N288-A319 WeakPolarHBondContact CB-O 3.3Å; N288-A319 PolarHBondContact ND2-O 3.46Å; A308-A319 WeakPolarHBondContact O-CA 3.49Å; R316-A319 HydrophobicContact CB-CB 3.99Å; R316-A319 VanDerWaalsContact O-CB 3.25Å; R316-A319 WeakPolarHBondContact O-CB 3.09Å; R316-A319 PolarHBondContact O-N 2.86Å; A319-S321 VanDerWaalsContact C-N 3.28Å; A319-S321 PolarHBondContact O-N 3.48Å
320	L	97.4	Very high	97.6	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	8%	0.075	C	C	.	.			trans	-82.7	83.5	175.2	-161.8	162.1	0	0	0	107.3	L305 A308 A309 M318 T322 L423 A448 F450 P474	L305-L320 HydrophobicContact CD2-CD1 3.92Å; L305-L320 HydrophobicContact CD2-CD2 3.77Å; L305-L320 HydrophobicContact CD2-CG 4.49Å; A308-L320 HydrophobicContact CB-CB 3.72Å; A308-L320 HydrophobicContact CB-CD1 4.49Å; A308-L320 PolarHBondContact O-N 3.23Å; A309-L320 WeakPolarHBondContact CA-O 3.02Å; A309-L320 WeakPolarHBondContact CB-O 3.47Å; M318-L320 PolarHBondContact O-N 2.91Å; L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 WeakPolarHBondContact CD2-O 3.46Å; L320-T322 PolarHBondContact O-N 3.19Å; L320-L423 HydrophobicContact CD2-CD1 4.31Å; L320-L423 WeakPolarHBondContact O-CD1 3.41Å; L320-A448 HydrophobicContact CD1-CB 4.38Å; L320-F450 HydrophobicContact CD1-CE2 4.28Å; L320-F450 HydrophobicContact CD1-CZ 4.41Å; L320-P474 HydrophobicContact CD1-CB 3.61Å
321	S	97.8	Very high	97.6	Very high	17 Å²	17	19.9 Å²	19.9	12%	0.119	10%	0.102	C	C	.	.			trans	-76.6	-15.4	-174.5	58	0	0	0	0	113.5	N288 A319 V424	N288-S321 PolarHBondContact O-N 3.45Å; A319-S321 VanDerWaalsContact C-N 3.28Å; A319-S321 PolarHBondContact O-N 3.48Å; S321-V424 WeakPolarHBondContact O-CG2 3.28Å; S321-V424 PolarHBondContact O-N 2.9Å
322	T	98.7	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.5	-172.5	-56.4	0	0	0	0	111.2	K287 N288 H289 G290 L320 V324 Y414 V424 L426	K287-T322 WeakPolarHBondContact CE-OG1 3.49Å; N288-T322 WeakPolarHBondContact O-CB 3.38Å; N288-T322 PolarHBondContact O-N 3.22Å; N288-T322 VanDerWaalsContact O-N 3.15Å; H289-T322 CarbonylContact C-O 3.52Å; H289-T322 VanDerWaalsContact CA-O 3.28Å; H289-T322 WeakPolarHBondContact CA-O 3.47Å; H289-T322 WeakPolarHBondContact CD2-CG2 3.39Å; G290-T322 PolarHBondContact N-O 3.29Å; L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 WeakPolarHBondContact CD2-O 3.46Å; L320-T322 PolarHBondContact O-N 3.19Å; T322-V324 HydrophobicContact CG2-CG2 4.34Å; T322-Y414 HydrophobicContact CG2-CE2 4.13Å; T322-V424 CarbonylContact C-O 3.5Å; T322-V424 VanDerWaalsContact CA-O 3.3Å; T322-V424 WeakPolarHBondContact CA-O 3.37Å; T322-V424 HydrophobicContact CG2-CG2 3.98Å; T322-V424 WeakPolarHBondContact OG1-CG2 3.44Å; T322-L426 HydrophobicContact CG2-CD1 3.28Å
323	A	98.8	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.3	167.9	0	0	0	0	0	110.2	G290 L305 L423 V424 V425 L426	G290-A323 WeakPolarHBondContact O-CA 3.46Å; L305-A323 HydrophobicContact CD2-CB 4.5Å; A323-L423 HydrophobicContact CB-CD1 4.08Å; A323-L423 HydrophobicContact CB-CD2 4.41Å; A323-L423 HydrophobicContact CB-CG 4.47Å; A323-V424 PolarHBondContact N-O 2.91Å; A323-V425 HydrophobicContact CB-CG2 4.44Å; A323-V425 WeakPolarHBondContact O-CA 3.34Å; A323-L426 PolarHBondContact O-N 3.42Å
324	V	98.8	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	104.2	173.1	-173.4	0	0	0	0	107.9	G290 V291 V292 T322 L426 T428 A434	G290-V324 PolarHBondContact O-N 2.98Å; V291-V324 WeakPolarHBondContact CA-O 3.33Å; V291-V324 HydrophobicContact CG2-CB 4.26Å; V292-V324 PolarHBondContact N-O 3.19Å; T322-V324 HydrophobicContact CG2-CG2 4.34Å; V324-L426 CarbonylContact C-O 3.15Å; V324-L426 WeakPolarHBondContact CA-O 3.25Å; V324-L426 HydrophobicContact CG2-CB 4.47Å; V324-T428 HydrophobicContact CG1-CG2 3.88Å; V324-A434 HydrophobicContact CG1-CB 3.82Å
325	L	98.8	Very high	98.1	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.1	-178.7	-54.2	-178.2	0	0	0	109.8	V292 A329 K330 L333 V425 L426 E427 T428	V292-L325 HydrophobicContact CB-CD2 3.82Å; V292-L325 HydrophobicContact CG1-CD2 4.37Å; V292-L325 HydrophobicContact CG2-CD2 3.82Å; L325-A329 HydrophobicContact CB-CB 4.47Å; L325-K330 HydrophobicContact CB-CG 4.12Å; L325-L333 HydrophobicContact CD1-CB 4.08Å; L325-V425 HydrophobicContact CD1-CG1 3.8Å; L325-V425 HydrophobicContact CG-CG1 3.98Å; L325-L426 PolarHBondContact N-O 3.12Å; L325-E427 WeakPolarHBondContact O-CA 3.28Å; L325-T428 PolarHBondContact O-N 3.03Å
326	V	98.9	Very high	98.2	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129	-174.9	-172.9	0	0	0	0	110.7	V291 V292 M293 P294 E328 A329 T428 A434	V291-V326 HydrophobicContact CG1-CG2 3.78Å; V292-V326 WeakPolarHBondContact O-CB 3.14Å; V292-V326 PolarHBondContact O-N 2.78Å; M293-V326 HydrophobicContact CE-CB 4.37Å; M293-V326 HydrophobicContact CE-CG1 4Å; M293-V326 HydrophobicContact SD-CB 3.94Å; M293-V326 HydrophobicContact SD-CG1 4.1Å; M293-V326 HydrophobicContact SD-CG2 3.82Å; P294-V326 WeakPolarHBondContact CD-O 3.49Å; P294-V326 VanDerWaalsContact CG-O 3.3Å; P294-V326 WeakPolarHBondContact CG-O 3.36Å; V326-E328 PolarHBondContact O-N 3.12Å; V326-A329 WeakPolarHBondContact O-CB 3.21Å; V326-A329 PolarHBondContact O-N 3.21Å; V326-A329 VanDerWaalsContact O-N 3.09Å; V326-T428 WeakPolarHBondContact CA-O 3.33Å; V326-A434 HydrophobicContact CG2-CB 4.02Å
327	G	98.4	Very high	98.2	Very high	18 Å²	18	26.6 Å²	26.6	19%	0.186	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	52.3	-122.8	175.5	0	0	0	0	0	112.9	A329 K330 T428	G327-A329 PolarHBondContact O-N 2.92Å; G327-K330 WeakPolarHBondContact O-CB 3.34Å; G327-K330 VanDerWaalsContact O-CD 3.29Å; G327-K330 WeakPolarHBondContact O-CD 3.47Å; G327-K330 WeakPolarHBondContact O-CG 3.39Å; G327-K330 PolarHBondContact O-N 3.39Å; G327-T428 PolarHBondContact N-O 3.24Å
328	E	98.1	Very high	98.3	Very high	112 Å²	112	30.5 Å²	30.5	52%	0.523	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-63.8	-20	-178.1	-69.4	-67.7	124.5	0	0	114.5	P294 V326 K330 K331	P294-E328 HydrophobicContact CB-CB 4.06Å; P294-E328 HydrophobicContact CG-CB 4.17Å; V326-E328 PolarHBondContact O-N 3.12Å; E328-K330 PolarHBondContact O-N 3.01Å; E328-K330 VanDerWaalsContact O-N 3.16Å; E328-K331 VanDerWaalsContact CD-NZ 3.32Å; E328-K331 WeakPolarHBondContact O-CB 3.48Å; E328-K331 PolarHBondContact O-N 3.32Å; E328-K331 IonicContact OE1-NZ 2.6Å; E328-K331 PolarHBondContact OE1-NZ 2.86Å; E328-K331 WeakPolarHBondContact OE2-CD 3.21Å; E328-K331 WeakPolarHBondContact OE2-CE 3.47Å; E328-K331 IonicContact OE2-NZ 2.65Å; E328-K331 PolarHBondContact OE2-NZ 3.38Å
329	A	98.3	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64	-19.2	176.5	0	0	0	0	0	112.9	V292 L325 V326 G327 K331 W332	V292-A329 HydrophobicContact CB-CB 4.45Å; V292-A329 HydrophobicContact CG1-CB 4.01Å; L325-A329 HydrophobicContact CB-CB 4.47Å; V326-A329 WeakPolarHBondContact O-CB 3.21Å; V326-A329 PolarHBondContact O-N 3.21Å; V326-A329 VanDerWaalsContact O-N 3.09Å; G327-A329 PolarHBondContact O-N 2.92Å; A329-K331 PolarHBondContact O-N 3.29Å; A329-W332 HydrophobicContact CB-CD2 4.25Å; A329-W332 HydrophobicContact CB-CE3 4.3Å; A329-W332 HydrophobicContact CB-CZ3 4.47Å; A329-W332 VanDerWaalsContact O-CB 3.3Å; A329-W332 WeakPolarHBondContact O-CB 3.44Å; A329-W332 PolarHBondContact O-N 2.95Å
330	K	98.3	Very high	98.4	Very high	40 Å²	40	31.7 Å²	31.7	17%	0.174	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-55	-33.3	173.8	-63.4	171	-167.5	-170.5	0	112.3	L325 G327 E328 W332 L333 E427 T428 E429	L325-K330 HydrophobicContact CB-CG 4.12Å; G327-K330 WeakPolarHBondContact O-CB 3.34Å; G327-K330 VanDerWaalsContact O-CD 3.29Å; G327-K330 WeakPolarHBondContact O-CD 3.47Å; G327-K330 WeakPolarHBondContact O-CG 3.39Å; G327-K330 PolarHBondContact O-N 3.39Å; E328-K330 PolarHBondContact O-N 3.01Å; E328-K330 VanDerWaalsContact O-N 3.16Å; K330-W332 PolarHBondContact O-N 2.96Å; K330-W332 VanDerWaalsContact O-N 3.11Å; K330-L333 PolarHBondContact O-N 2.86Å; K330-E427 HydrophobicContact CD-CB 3.95Å; K330-E427 HydrophobicContact CD-CG 4.28Å; K330-E427 HydrophobicContact CG-CB 3.95Å; K330-E427 HydrophobicContact CG-CG 3.87Å; K330-T428 WeakPolarHBondContact CE-O 3.44Å; K330-T428 PolarHBondContact NZ-O 3.47Å; K330-E429 IonicContact NZ-OE1 2.77Å; K330-E429 PolarHBondContact NZ-OE1 2.85Å; K330-E429 IonicContact NZ-OE2 3.22Å; K330-E429 PolarHBondContact NZ-OE2 2.97Å
331	K	98.3	Very high	98.4	Very high	135 Å²	135	36.5 Å²	36.5	59%	0.587	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-66.4	-11.5	179.4	-62.2	177.4	-177.7	171.5	0	113.2	E328 A329 P334	E328-K331 VanDerWaalsContact CD-NZ 3.32Å; E328-K331 WeakPolarHBondContact O-CB 3.48Å; E328-K331 PolarHBondContact O-N 3.32Å; E328-K331 IonicContact OE1-NZ 2.6Å; E328-K331 PolarHBondContact OE1-NZ 2.86Å; E328-K331 WeakPolarHBondContact OE2-CD 3.21Å; E328-K331 WeakPolarHBondContact OE2-CE 3.47Å; E328-K331 IonicContact OE2-NZ 2.65Å; E328-K331 PolarHBondContact OE2-NZ 3.38Å; A329-K331 PolarHBondContact O-N 3.29Å; K331-P334 WeakPolarHBondContact O-CD 3.44Å
332	W	98.3	Very high	98.3	Very high	28 Å²	28	41.9 Å²	41.9	11%	0.106	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-86.4	-8.5	-178.1	-53.6	-4.9	0	0	0	113.2	V292 A296 K298 L302 A329 K330 P334 E335 L336	V292-W332 HydrophobicContact CG1-CE3 3.77Å; V292-W332 HydrophobicContact CG1-CH2 4.32Å; V292-W332 HydrophobicContact CG1-CZ3 3.4Å; V292-W332 VanDerWaalsContact CG1-CZ3 3.4Å; A296-W332 HydrophobicContact CB-CH2 3.99Å; A296-W332 HydrophobicContact CB-CZ3 4.15Å; A296-W332 WeakPolarHBondContact O-CH2 3.32Å; K298-W332 HydrophobicContact CB-CD2 4.38Å; K298-W332 HydrophobicContact CB-CE3 4.32Å; K298-W332 HydrophobicContact CB-CH2 3.99Å; K298-W332 HydrophobicContact CB-CZ2 4.04Å; K298-W332 HydrophobicContact CB-CZ3 4.13Å; K298-W332 HydrophobicContact CD-CD2 4.05Å; K298-W332 HydrophobicContact CD-CG 4.12Å; K298-W332 HydrophobicContact CD-CZ2 4.46Å; K298-W332 VanDerWaalsContact CE-CD1 3.46Å; K298-W332 HydrophobicContact CG-CD2 3.7Å; K298-W332 HydrophobicContact CG-CE3 3.87Å; K298-W332 HydrophobicContact CG-CG 4.13Å; K298-W332 HydrophobicContact CG-CH2 4.37Å; K298-W332 HydrophobicContact CG-CZ2 4.22Å; K298-W332 HydrophobicContact CG-CZ3 4.2Å; L302-W332 HydrophobicContact CD2-CB 4.29Å; A329-W332 HydrophobicContact CB-CD2 4.25Å; A329-W332 HydrophobicContact CB-CE3 4.3Å; A329-W332 HydrophobicContact CB-CZ3 4.47Å; A329-W332 VanDerWaalsContact O-CB 3.3Å; A329-W332 WeakPolarHBondContact O-CB 3.44Å; A329-W332 PolarHBondContact O-N 2.95Å; K330-W332 PolarHBondContact O-N 2.96Å; K330-W332 VanDerWaalsContact O-N 3.11Å; W332-P334 VanDerWaalsContact C-CD 3.5Å; W332-E335 PolarHBondContact O-N 3.43Å; W332-E335 VanDerWaalsContact O-N 3.14Å; W332-L336 PolarHBondContact O-N 2.57Å
333	L	98.3	Very high	98.3	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	22%	0.217	C	C	.	.	H	α-helix	trans	-56.2	-40.5	-177.5	-178.5	56	0	0	0	114.2	L325 K330 E335 L336 V337 L382 I403 V425	L325-L333 HydrophobicContact CD1-CB 4.08Å; K330-L333 PolarHBondContact O-N 2.86Å; L333-E335 PolarHBondContact O-N 3.28Å; L333-L336 HydrophobicContact CD1-CD2 4.32Å; L333-L336 WeakPolarHBondContact O-CB 3.4Å; L333-L336 PolarHBondContact O-N 2.89Å; L333-V337 WeakPolarHBondContact O-CG2 3.49Å; L333-V337 PolarHBondContact O-N 2.86Å; L333-V337 VanDerWaalsContact O-N 3.08Å; L333-L382 HydrophobicContact CD1-CD1 4.02Å; L333-L382 HydrophobicContact CD2-CD1 3.52Å; L333-L382 HydrophobicContact CG-CD1 3.63Å; L333-I403 HydrophobicContact CD1-CG2 4.17Å; L333-V425 HydrophobicContact CD1-CB 4.37Å; L333-V425 HydrophobicContact CD1-CG1 4.13Å; L333-V425 HydrophobicContact CD1-CG2 3.9Å; L333-V425 HydrophobicContact CD2-CG1 4.44Å
334	P	98.4	Very high	98.3	Very high	84 Å²	84	48.5 Å²	48.5	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-60	-43	174.7	-25	36.3	0	0	0	113.1	K331 W332 V337 E338	K331-P334 WeakPolarHBondContact O-CD 3.44Å; W332-P334 VanDerWaalsContact C-CD 3.5Å; P334-V337 WeakPolarHBondContact O-CB 3.45Å; P334-V337 PolarHBondContact O-N 3.32Å; P334-E338 PolarHBondContact O-N 3.49Å
335	E	98.4	Very high	98.2	Very high	67 Å²	67	49.4 Å²	49.4	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-69.4	-37	178.6	-72.2	156	-86.3	0	0	111.6	K298 L302 W332 L333 V337 E338 H339	K298-E335 VanDerWaalsContact CE-CD 3.46Å; K298-E335 VanDerWaalsContact CE-OE1 3.24Å; K298-E335 WeakPolarHBondContact CE-OE1 3.44Å; K298-E335 WeakPolarHBondContact CE-OE2 3.37Å; K298-E335 IonicContact NZ-OE1 3.79Å; K298-E335 PolarHBondContact NZ-OE1 3.39Å; K298-E335 IonicContact NZ-OE2 2.94Å; K298-E335 PolarHBondContact NZ-OE2 3.49Å; L302-E335 HydrophobicContact CD1-CB 3.72Å; W332-E335 PolarHBondContact O-N 3.43Å; W332-E335 VanDerWaalsContact O-N 3.14Å; L333-E335 PolarHBondContact O-N 3.28Å; E335-V337 PolarHBondContact O-N 2.78Å; E335-E338 PolarHBondContact O-N 3.26Å; E335-E338 VanDerWaalsContact O-N 3.12Å; E335-H339 PolarHBondContact O-CD2 3.1Å; E335-H339 PolarHBondContact O-N 3.45Å
336	L	98.5	Very high	98.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-56.2	-40.9	170.9	-177.5	57.2	0	0	0	111.9	L302 L305 V306 W332 L333 A340 I403 L423	L302-L336 HydrophobicContact CD2-CB 3.74Å; L302-L336 HydrophobicContact CD2-CD1 4.04Å; L302-L336 HydrophobicContact CD2-CG 4.4Å; L305-L336 HydrophobicContact CB-CD1 3.97Å; L305-L336 HydrophobicContact CD1-CD1 4.26Å; L305-L336 HydrophobicContact CD1-CD2 4.39Å; V306-L336 HydrophobicContact CG2-CD1 3.88Å; W332-L336 PolarHBondContact O-N 2.57Å; L333-L336 HydrophobicContact CD1-CD2 4.32Å; L333-L336 WeakPolarHBondContact O-CB 3.4Å; L333-L336 PolarHBondContact O-N 2.89Å; L336-A340 WeakPolarHBondContact O-CB 3.34Å; L336-A340 PolarHBondContact O-N 3.48Å; L336-A340 VanDerWaalsContact O-N 3.1Å; L336-I403 HydrophobicContact CG-CD1 4.25Å; L336-L423 HydrophobicContact CD1-CD2 4.48Å; L336-L423 HydrophobicContact CD2-CD2 3.82Å; L336-L423 HydrophobicContact CG-CD2 4.42Å
337	V	98.7	Very high	98.2	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-43.4	175.8	168.6	0	0	0	0	111.5	L333 P334 E335 A340 K341 L382 L383 I403	L333-V337 WeakPolarHBondContact O-CG2 3.49Å; L333-V337 PolarHBondContact O-N 2.86Å; L333-V337 VanDerWaalsContact O-N 3.08Å; P334-V337 WeakPolarHBondContact O-CB 3.45Å; P334-V337 PolarHBondContact O-N 3.32Å; E335-V337 PolarHBondContact O-N 2.78Å; V337-A340 PolarHBondContact O-N 2.93Å; V337-K341 HydrophobicContact CG1-CD 4.23Å; V337-K341 WeakPolarHBondContact O-CG 3.41Å; V337-K341 PolarHBondContact O-N 3.38Å; V337-L382 HydrophobicContact CG2-CB 3.85Å; V337-L382 HydrophobicContact CG2-CD1 4.2Å; V337-L383 HydrophobicContact CG1-CB 4.28Å; V337-I403 HydrophobicContact CB-CD1 4.33Å; V337-I403 HydrophobicContact CG2-CB 4.32Å; V337-I403 HydrophobicContact CG2-CD1 3.77Å; V337-I403 HydrophobicContact CG2-CG2 4.16Å
338	E	98.3	Very high	98.1	Very high	94 Å²	94	50.2 Å²	50.2	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-41.5	177	-65.9	-49.4	123.3	0	0	112.6	P334 E335 A340 K341 N342	P334-E338 PolarHBondContact O-N 3.49Å; E335-E338 PolarHBondContact O-N 3.26Å; E335-E338 VanDerWaalsContact O-N 3.12Å; E338-A340 VanDerWaalsContact C-N 3.34Å; E338-A340 PolarHBondContact O-N 3.29Å; E338-K341 PolarHBondContact O-N 2.97Å; E338-K341 IonicContact OE1-NZ 2.67Å; E338-K341 PolarHBondContact OE1-NZ 3.38Å; E338-K341 IonicContact OE2-NZ 3.9Å; E338-N342 PolarHBondContact O-N 3.39Å; E338-N342 PolarHBondContact O-ND2 2.85Å
339	H	97.9	Very high	98	Very high	41 Å²	41	48.9 Å²	48.9	19%	0.19	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-41.8	176.1	-73.3	-130.3	0	0	0	111.3	E299 N303 V306 E335 K341 N342	E299-H339 IonicContact OE2-CE1 2.84Å; E299-H339 PolarHBondContact OE2-CE1 3.15Å; E299-H339 IonicContact OE2-NE2 3.67Å; N303-H339 PolarHBondContact OD1-CE1 2.88Å; N303-H339 PolarHBondContact OD1-ND1 3.1Å; V306-H339 HydrophobicContact CG2-CB 3.77Å; E335-H339 PolarHBondContact O-CD2 3.1Å; E335-H339 PolarHBondContact O-N 3.45Å; H339-K341 PolarHBondContact O-N 2.94Å; H339-N342 PolarHBondContact O-N 3.48Å
340	A	98.3	Very high	97.9	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-35.3	178.4	0	0	0	0	0	113	V306 F310 L336 V337 E338 N342 L343 L383 P401 I403	V306-A340 HydrophobicContact CG2-CB 4.33Å; F310-A340 HydrophobicContact CD2-CB 4.38Å; F310-A340 HydrophobicContact CE2-CB 3.63Å; F310-A340 HydrophobicContact CZ-CB 4.1Å; L336-A340 WeakPolarHBondContact O-CB 3.34Å; L336-A340 PolarHBondContact O-N 3.48Å; L336-A340 VanDerWaalsContact O-N 3.1Å; V337-A340 PolarHBondContact O-N 2.93Å; E338-A340 VanDerWaalsContact C-N 3.34Å; E338-A340 PolarHBondContact O-N 3.29Å; A340-N342 PolarHBondContact O-N 3.41Å; A340-L343 WeakPolarHBondContact O-CB 3.32Å; A340-L343 PolarHBondContact O-N 3.06Å; A340-L383 HydrophobicContact CB-CD2 3.76Å; A340-P401 HydrophobicContact CB-CB 4.32Å; A340-I403 HydrophobicContact CB-CD1 3.67Å
341	K	97.8	Very high	97.8	Very high	102 Å²	102	55.4 Å²	55.4	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-29.4	176.2	-79.1	171.2	-178.7	170.6	0	113.3	V337 E338 H339 L343 L383	V337-K341 HydrophobicContact CG1-CD 4.23Å; V337-K341 WeakPolarHBondContact O-CG 3.41Å; V337-K341 PolarHBondContact O-N 3.38Å; E338-K341 PolarHBondContact O-N 2.97Å; E338-K341 IonicContact OE1-NZ 2.67Å; E338-K341 PolarHBondContact OE1-NZ 3.38Å; E338-K341 IonicContact OE2-NZ 3.9Å; H339-K341 PolarHBondContact O-N 2.94Å; K341-L343 PolarHBondContact O-N 2.9Å; K341-L383 HydrophobicContact CD-CD1 4.38Å; K341-L383 HydrophobicContact CG-CD1 3.5Å; K341-L383 HydrophobicContact CG-CD2 4.04Å; K341-L383 HydrophobicContact CG-CG 4.4Å
342	N	97.1	Very high	97.5	Very high	130 Å²	130	51.3 Å²	51.3	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.8	-177.8	-68.6	-31.9	0	0	0	113.6	E338 H339 A340 R344	E338-N342 PolarHBondContact O-N 3.39Å; E338-N342 PolarHBondContact O-ND2 2.85Å; H339-N342 PolarHBondContact O-N 3.48Å; A340-N342 PolarHBondContact O-N 3.41Å; N342-R344 PolarHBondContact O-N 2.94Å
343	L	97.9	Very high	97.4	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.188	28%	0.275	C	S	.	.			trans	-66.3	129.8	177.6	-67.8	177.2	0	0	0	111.5	V306 F310 A340 K341 V345 D354 P401	V306-L343 HydrophobicContact CG1-CD1 3.69Å; V306-L343 HydrophobicContact CG1-CD2 3.83Å; V306-L343 HydrophobicContact CG1-CG 3.88Å; F310-L343 HydrophobicContact CB-CD1 3.51Å; F310-L343 HydrophobicContact CD2-CD1 3.62Å; F310-L343 HydrophobicContact CG-CD1 3.74Å; A340-L343 WeakPolarHBondContact O-CB 3.32Å; A340-L343 PolarHBondContact O-N 3.06Å; K341-L343 PolarHBondContact O-N 2.9Å; L343-V345 PolarHBondContact O-N 2.89Å; L343-D354 HydrophobicContact CB-CB 4.34Å; L343-D354 HydrophobicContact CD2-CB 3.8Å; L343-P401 HydrophobicContact CB-CG 3.89Å; L343-P401 HydrophobicContact CD1-CB 4.29Å; L343-P401 HydrophobicContact CD1-CG 3.74Å; L343-P401 HydrophobicContact CG-CG 4.39Å
344	R	97.9	Very high	97.4	Very high	103 Å²	103	53.5 Å²	53.5	39%	0.389	29%	0.291	S	S	.	.			trans	-89.6	102.1	-178.7	-156	-175.2	76.5	174.7	20.9	111.4	N342 P351 G352 D354 L355	N342-R344 PolarHBondContact O-N 2.94Å; R344-P351 PolarHBondContact NH1-O 3.46Å; R344-P351 PolarHBondContact NH2-O 2.81Å; R344-G352 PolarHBondContact NE-O 2.94Å; R344-G352 PolarHBondContact NH1-O 3.05Å; R344-G352 PolarHBondContact NH2-O 2.82Å; R344-D354 WeakPolarHBondContact CB-OD2 3.3Å; R344-D354 PolarHBondContact N-OD2 3.43Å; R344-D354 PolarHBondContact O-N 3.01Å; R344-L355 PolarHBondContact O-N 3.2Å
345	V	98.4	Very high	97.3	Very high	19 Å²	19	49.6 Å²	49.6	12%	0.115	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-78.9	119.4	175.6	-174.2	0	0	0	0	110.4	L343 L355 I388 V390 F398	L343-V345 PolarHBondContact O-N 2.89Å; V345-L355 WeakPolarHBondContact CA-O 3.38Å; V345-L355 HydrophobicContact CB-CD2 4.32Å; V345-L355 HydrophobicContact CG1-CD2 3.7Å; V345-L355 HydrophobicContact CG2-CB 4.22Å; V345-L355 HydrophobicContact CG2-CD2 3.93Å; V345-L355 HydrophobicContact CG2-CG 4.47Å; V345-I388 HydrophobicContact CB-CD1 3.52Å; V345-I388 HydrophobicContact CG1-CD1 3.89Å; V345-I388 HydrophobicContact CG2-CD1 3.47Å; V345-I388 VanDerWaalsContact CG2-CD1 3.47Å; V345-V390 HydrophobicContact CG1-CG2 4.02Å; V345-F398 HydrophobicContact CG1-CB 4.46Å; V345-F398 HydrophobicContact CG1-CD1 3.7Å; V345-F398 HydrophobicContact CG1-CE1 4.42Å; V345-F398 HydrophobicContact CG1-CG 4.42Å
346	N	98.3	Very high	97.3	Very high	36 Å²	36	46.4 Å²	46.4	19%	0.193	25%	0.251	C	S	.	.			trans	-159.8	173.5	177	-152	-19.9	0	0	0	110.7	G348 Q350 A353 L355 G356 V390 F398	N346-G348 PolarHBondContact O-N 2.88Å; N346-Q350 HydrophobicContact CB-CB 4.36Å; N346-A353 HydrophobicContact CB-CB 4Å; N346-L355 PolarHBondContact N-O 2.86Å; N346-G356 WeakPolarHBondContact O-CA 3.4Å; N346-V390 HydrophobicContact CB-CG1 4.46Å; N346-V390 WeakPolarHBondContact OD1-CG1 3.36Å; N346-F398 WeakPolarHBondContact O-CE1 3.3Å
347	A	97.9	Very high	97.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	25%	0.251	C	S	.	.			trans	-56.7	140.8	169.6	0	0	0	0	0	110.8	A63 D349 Q350 Y393 F398	A63-A347 HydrophobicContact CB-CB 3.64Å; A347-D349 WeakPolarHBondContact CB-OD1 3.34Å; A347-D349 PolarHBondContact O-N 3.01Å; A347-D349 VanDerWaalsContact O-N 3.14Å; A347-Q350 HydrophobicContact CB-CG 3.95Å; A347-Q350 WeakPolarHBondContact O-CB 3.43Å; A347-Q350 PolarHBondContact O-N 3.24Å; A347-Y393 HydrophobicContact CB-CD1 4.01Å; A347-Y393 HydrophobicContact CB-CD2 4.14Å; A347-Y393 HydrophobicContact CB-CE1 3.61Å; A347-Y393 HydrophobicContact CB-CE2 3.73Å; A347-Y393 HydrophobicContact CB-CG 4.27Å; A347-Y393 VanDerWaalsContact CB-CZ 3.46Å; A347-F398 HydrophobicContact CB-CZ 4.46Å
348	G	96.9	Very high	97.3	Very high	5 Å²	5	46 Å²	46	5%	0.052	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.5	-169	0	0	0	0	0	114.9	T124 T130 L131 N346	T124-G348 VanDerWaalsContact CG2-C 3.49Å; T130-G348 VanDerWaalsContact CA-O 3.31Å; T130-G348 WeakPolarHBondContact CA-O 3.31Å; L131-G348 PolarHBondContact N-O 2.89Å; L131-G348 VanDerWaalsContact N-O 3.09Å; N346-G348 PolarHBondContact O-N 2.88Å
349	D	95.2	Very high	97.3	Very high	84 Å²	84	42 Å²	42	45%	0.449	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.5	175.2	66.5	-14.7	0	0	0	113.2	T124 A347	T124-D349 HydrophobicContact CG2-CB 4.01Å; A347-D349 WeakPolarHBondContact CB-OD1 3.34Å; A347-D349 PolarHBondContact O-N 3.01Å; A347-D349 VanDerWaalsContact O-N 3.14Å
350	Q	97.5	Very high	97.4	Very high	64 Å²	64	41.1 Å²	41.1	30%	0.299	23%	0.228	S	C	.	.	S	Bend	trans	-80.1	133.3	-178.3	-59.5	-56.9	-55.5	0	0	111.9	N346 A347 G352 A353 Y393	N346-Q350 HydrophobicContact CB-CB 4.36Å; A347-Q350 HydrophobicContact CB-CG 3.95Å; A347-Q350 WeakPolarHBondContact O-CB 3.43Å; A347-Q350 PolarHBondContact O-N 3.24Å; Q350-G352 PolarHBondContact O-N 3.35Å; Q350-G352 VanDerWaalsContact O-N 3.1Å; Q350-A353 WeakPolarHBondContact O-CB 3.41Å; Q350-A353 PolarHBondContact O-N 2.87Å; Q350-A353 VanDerWaalsContact O-N 3.14Å; Q350-Y393 HydrophobicContact CG-CE2 4.19Å; Q350-Y393 PolarHBondContact NE2-OH 3.14Å
351	P	94.6	Very high	97.4	Very high	112 Å²	112	43.9 Å²	43.9	73%	0.727	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	111.9	-173	-25.1	33.5	0	0	0	114.4	R344	R344-P351 PolarHBondContact NH1-O 3.46Å; R344-P351 PolarHBondContact NH2-O 2.81Å
352	G	93.3	Very high	97.4	Very high	50 Å²	50	45 Å²	45	52%	0.515	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	14.7	179.3	0	0	0	0	0	115	R344 Q350	R344-G352 PolarHBondContact NE-O 2.94Å; R344-G352 PolarHBondContact NH1-O 3.05Å; R344-G352 PolarHBondContact NH2-O 2.82Å; Q350-G352 PolarHBondContact O-N 3.35Å; Q350-G352 VanDerWaalsContact O-N 3.1Å
353	A	96.9	Very high	97.5	Very high	12 Å²	12	39.9 Å²	39.9	10%	0.099	23%	0.228	C	C	.	.			trans	-67	132.1	173.9	0	0	0	0	0	108.7	T130 N346 Q350	T130-A353 HydrophobicContact CG2-CB 4.23Å; T130-A353 WeakPolarHBondContact CG2-O 3.47Å; N346-A353 HydrophobicContact CB-CB 4Å; Q350-A353 WeakPolarHBondContact O-CB 3.41Å; Q350-A353 PolarHBondContact O-N 2.87Å; Q350-A353 VanDerWaalsContact O-N 3.14Å
354	D	97.3	Very high	97.5	Very high	75 Å²	75	41 Å²	41	40%	0.401	23%	0.232	S	C	.	.	S	Bend	trans	-94.7	-28.7	176.1	-57.9	-56.7	0	0	0	111.2	L343 R344	L343-D354 HydrophobicContact CB-CB 4.34Å; L343-D354 HydrophobicContact CD2-CB 3.8Å; R344-D354 WeakPolarHBondContact CB-OD2 3.3Å; R344-D354 PolarHBondContact N-OD2 3.43Å; R344-D354 PolarHBondContact O-N 3.01Å
355	L	97.2	Very high	97.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-139.6	120.2	-173	-173.8	154.1	0	0	0	110.7	F310 A313 R344 V345 N346 V399 P401 P421	F310-L355 HydrophobicContact CB-CD1 4.1Å; A313-L355 HydrophobicContact CB-CD2 4.27Å; A313-L355 HydrophobicContact CB-CG 4.25Å; R344-L355 PolarHBondContact O-N 3.2Å; V345-L355 WeakPolarHBondContact CA-O 3.38Å; V345-L355 HydrophobicContact CB-CD2 4.32Å; V345-L355 HydrophobicContact CG1-CD2 3.7Å; V345-L355 HydrophobicContact CG2-CB 4.22Å; V345-L355 HydrophobicContact CG2-CD2 3.93Å; V345-L355 HydrophobicContact CG2-CG 4.47Å; N346-L355 PolarHBondContact N-O 2.86Å; L355-V399 WeakPolarHBondContact CD2-O 3.4Å; L355-P401 HydrophobicContact CD1-CG 4.09Å; L355-P421 HydrophobicContact CD1-CB 3.57Å; L355-P421 HydrophobicContact CD1-CG 4.24Å
356	G	98.2	Very high	97.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.01	25%	0.252	C	S	.	.			trans	-89	-177.7	176	0	0	0	0	0	114	A313 N346	A313-G356 WeakPolarHBondContact CB-O 3.41Å; N346-G356 WeakPolarHBondContact O-CA 3.4Å
357	P	98.6	Very high	97.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.244	C	C	.	.			trans	-72.4	164.6	176	33.1	-38.3	0	0	0	113	P62 A63 G128 Q315 N397 F398	P62-P357 HydrophobicContact CB-CB 4.15Å; P62-P357 HydrophobicContact CB-CG 3.76Å; P62-P357 HydrophobicContact CG-CG 3.84Å; P62-P357 WeakPolarHBondContact O-CB 3.46Å; A63-P357 HydrophobicContact CB-CG 4.13Å; G128-P357 WeakPolarHBondContact O-CD 3.4Å; Q315-P357 PolarHBondContact NE2-O 2.86Å; P357-N397 HydrophobicContact CB-CB 4.19Å; P357-F398 HydrophobicContact CB-CD1 3.95Å; P357-F398 HydrophobicContact CB-CE1 3.79Å; P357-F398 HydrophobicContact CB-CE2 4.36Å; P357-F398 HydrophobicContact CB-CG 4.35Å; P357-F398 HydrophobicContact CB-CZ 4Å; P357-F398 HydrophobicContact CG-CE1 4.14Å; P357-F398 HydrophobicContact CG-CZ 4.23Å
358	L	98.8	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.			trans	-74.6	155.8	164.4	-65.7	172.3	0	0	0	110.8	P62 A313 Q315 T360 A363 K364 V367 N397 V399	P62-L358 VanDerWaalsContact CB-O 3.27Å; P62-L358 WeakPolarHBondContact CB-O 3.34Å; A313-L358 HydrophobicContact CB-CD2 4.18Å; Q315-L358 HydrophobicContact CG-CD2 3.68Å; L358-T360 VanDerWaalsContact C-N 3.31Å; L358-T360 PolarHBondContact O-N 2.83Å; L358-A363 HydrophobicContact CB-CB 4.3Å; L358-K364 HydrophobicContact CD1-CB 4.19Å; L358-V367 HydrophobicContact CD1-CB 4.02Å; L358-V367 HydrophobicContact CD1-CG1 4.41Å; L358-V367 HydrophobicContact CD1-CG2 3.78Å; L358-N397 HydrophobicContact CB-CB 4.36Å; L358-N397 WeakPolarHBondContact CB-O 3.25Å; L358-N397 PolarHBondContact N-O 2.96Å; L358-N397 WeakPolarHBondContact O-CB 3.12Å; L358-V399 HydrophobicContact CD1-CB 4.16Å; L358-V399 HydrophobicContact CD1-CG2 3.63Å
359	I	98.5	Very high	97.7	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.046	27%	0.271	C	S	.	.	S	Bend	trans	-61.7	-32.9	-170.4	-173.1	62.3	0	0	0	114.6	Q127 F185 R213 V214 A363	Q127-I359 HydrophobicContact CG-CD1 4.35Å; F185-I359 HydrophobicContact CB-CG1 4.4Å; F185-I359 HydrophobicContact CD1-CG2 4.45Å; F185-I359 HydrophobicContact CD2-CB 3.69Å; F185-I359 HydrophobicContact CD2-CD1 4Å; F185-I359 HydrophobicContact CD2-CG1 3.59Å; F185-I359 HydrophobicContact CD2-CG2 3.92Å; F185-I359 HydrophobicContact CE1-CG2 4.04Å; F185-I359 HydrophobicContact CE2-CB 3.54Å; F185-I359 HydrophobicContact CE2-CG1 4.01Å; F185-I359 HydrophobicContact CE2-CG2 3.47Å; F185-I359 VanDerWaalsContact CE2-CG2 3.47Å; F185-I359 HydrophobicContact CG-CB 4.42Å; F185-I359 HydrophobicContact CG-CG1 4Å; F185-I359 HydrophobicContact CG-CG2 4.39Å; F185-I359 HydrophobicContact CZ-CB 4.14Å; F185-I359 HydrophobicContact CZ-CG2 3.51Å; R213-I359 HydrophobicContact CB-CD1 4.27Å; R213-I359 HydrophobicContact CB-CG1 4.28Å; V214-I359 HydrophobicContact CG1-CD1 4.01Å; I359-A363 HydrophobicContact CG2-CB 3.97Å
360	T	98.6	Very high	97.8	Very high	22 Å²	22	45.4 Å²	45.4	14%	0.135	25%	0.251	C	S	.	.	S	Bend	trans	-147.6	163	-177.8	72.6	0	0	0	0	112.5	L358 Q362 A363 K364 N397	L358-T360 VanDerWaalsContact C-N 3.31Å; L358-T360 PolarHBondContact O-N 2.83Å; T360-Q362 VanDerWaalsContact CB-OE1 3.27Å; T360-Q362 PolarHBondContact O-N 2.87Å; T360-Q362 PolarHBondContact OG1-N 2.82Å; T360-Q362 PolarHBondContact OG1-OE1 2.9Å; T360-A363 WeakPolarHBondContact O-CB 3.23Å; T360-A363 PolarHBondContact O-N 3.36Å; T360-A363 VanDerWaalsContact O-N 3.11Å; T360-A363 PolarHBondContact OG1-N 2.86Å; T360-K364 PolarHBondContact O-N 3.14Å; T360-K364 VanDerWaalsContact O-N 3.07Å; T360-N397 VanDerWaalsContact C-CG 3.44Å; T360-N397 WeakPolarHBondContact CA-ND2 3.24Å
361	P	98.3	Very high	97.9	Very high	58 Å²	58	42.4 Å²	42.4	38%	0.377	24%	0.237	S	C	.	.	H	α-helix	trans	-56.4	-37.3	171.9	-26.3	34.7	0	0	0	113.1	A363 K364 E365 N397	P361-A363 VanDerWaalsContact C-N 3.35Å; P361-A363 PolarHBondContact O-N 2.95Å; P361-K364 WeakPolarHBondContact O-CB 3.37Å; P361-K364 PolarHBondContact O-N 3.39Å; P361-E365 PolarHBondContact O-N 2.9Å; P361-N397 WeakPolarHBondContact CA-OD1 3.32Å; P361-N397 WeakPolarHBondContact CD-OD1 3.43Å; P361-N397 WeakPolarHBondContact CG-OD1 3.5Å
362	Q	98.5	Very high	98.1	Very high	125 Å²	125	39.3 Å²	39.3	58%	0.584	22%	0.215	S	C	*	.	H	α-helix	trans	-68.7	-33.9	178.3	-57.7	77.2	17.4	0	0	111.9	T360 R366	T360-Q362 VanDerWaalsContact CB-OE1 3.27Å; T360-Q362 PolarHBondContact O-N 2.87Å; T360-Q362 PolarHBondContact OG1-N 2.82Å; T360-Q362 PolarHBondContact OG1-OE1 2.9Å; Q362-R366 VanDerWaalsContact O-CB 3.32Å; Q362-R366 WeakPolarHBondContact O-CB 3.4Å; Q362-R366 PolarHBondContact O-N 2.79Å
363	A	98.5	Very high	98.3	Very high	24 Å²	24	37.7 Å²	37.7	20%	0.198	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-43.3	172.8	0	0	0	0	0	110.7	L358 I359 T360 P361 R366 V367	L358-A363 HydrophobicContact CB-CB 4.3Å; I359-A363 HydrophobicContact CG2-CB 3.97Å; T360-A363 WeakPolarHBondContact O-CB 3.23Å; T360-A363 PolarHBondContact O-N 3.36Å; T360-A363 VanDerWaalsContact O-N 3.11Å; T360-A363 PolarHBondContact OG1-N 2.86Å; P361-A363 VanDerWaalsContact C-N 3.35Å; P361-A363 PolarHBondContact O-N 2.95Å; A363-R366 PolarHBondContact O-N 3.23Å; A363-V367 VanDerWaalsContact O-CG2 3.31Å; A363-V367 WeakPolarHBondContact O-CG2 3.41Å; A363-V367 PolarHBondContact O-N 3.41Å
364	K	98.6	Very high	98.3	Very high	59 Å²	59	37.1 Å²	37.1	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-58.2	-49.6	173.4	172.6	174	-179.5	177.2	0	112.2	L358 T360 P361 R366 V367 C368 G396 F398 V399	L358-K364 HydrophobicContact CD1-CB 4.19Å; T360-K364 PolarHBondContact O-N 3.14Å; T360-K364 VanDerWaalsContact O-N 3.07Å; P361-K364 WeakPolarHBondContact O-CB 3.37Å; P361-K364 PolarHBondContact O-N 3.39Å; K364-R366 PolarHBondContact O-N 2.74Å; K364-V367 PolarHBondContact O-N 2.93Å; K364-C368 PolarHBondContact O-N 3.38Å; K364-C368 PolarHBondContact O-SG 3.29Å; K364-C368 VanDerWaalsContact O-SG 3.37Å; K364-G396 PolarHBondContact NZ-O 3.25Å; K364-F398 VanDerWaalsContact CE-O 3.22Å; K364-F398 WeakPolarHBondContact CE-O 3.45Å; K364-F398 PolarHBondContact NZ-O 3.4Å; K364-V399 HydrophobicContact CB-CG2 4.45Å; K364-V399 HydrophobicContact CG-CG2 3.86Å
365	E	98.6	Very high	98.2	Very high	118 Å²	118	36.9 Å²	36.9	55%	0.551	19%	0.192	S	C	*	.	H	α-helix	trans	-59	-47.8	177.4	-175.1	-176.9	-177.7	0	0	111.6	P361 V367 C368 N369	P361-E365 PolarHBondContact O-N 2.9Å; E365-V367 VanDerWaalsContact C-N 3.34Å; E365-V367 PolarHBondContact O-N 2.88Å; E365-C368 PolarHBondContact O-N 3.45Å; E365-N369 VanDerWaalsContact O-CG 3.24Å; E365-N369 PolarHBondContact O-N 2.83Å; E365-N369 PolarHBondContact O-ND2 2.89Å
366	R	98.5	Very high	98.2	Very high	102 Å²	102	45 Å²	45	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-57.2	-46.4	176.9	174.5	173	165.3	58.8	-2	112.1	Q362 A363 K364 N369 L370 E416 E417	Q362-R366 VanDerWaalsContact O-CB 3.32Å; Q362-R366 WeakPolarHBondContact O-CB 3.4Å; Q362-R366 PolarHBondContact O-N 2.79Å; A363-R366 PolarHBondContact O-N 3.23Å; K364-R366 PolarHBondContact O-N 2.74Å; R366-N369 PolarHBondContact O-N 2.72Å; R366-L370 HydrophobicContact CG-CD1 4.37Å; R366-L370 PolarHBondContact O-N 2.79Å; R366-E416 IonicContact CZ-OE2 3.65Å; R366-E416 VanDerWaalsContact CZ-OE2 3.25Å; R366-E416 IonicContact NH1-OE2 2.77Å; R366-E416 PolarHBondContact NH1-OE2 3.37Å; R366-E416 IonicContact NH2-OE2 3.25Å; R366-E416 PolarHBondContact NH2-OE2 2.9Å; R366-E417 PolarHBondContact NH2-O 3.49Å
367	V	98.7	Very high	98.2	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.2	179.2	169.1	0	0	0	0	110.3	L358 A363 K364 E365 N369 L370 I371 V399 I418 V422	L358-V367 HydrophobicContact CD1-CB 4.02Å; L358-V367 HydrophobicContact CD1-CG1 4.41Å; L358-V367 HydrophobicContact CD1-CG2 3.78Å; A363-V367 VanDerWaalsContact O-CG2 3.31Å; A363-V367 WeakPolarHBondContact O-CG2 3.41Å; A363-V367 PolarHBondContact O-N 3.41Å; K364-V367 PolarHBondContact O-N 2.93Å; E365-V367 VanDerWaalsContact C-N 3.34Å; E365-V367 PolarHBondContact O-N 2.88Å; V367-N369 VanDerWaalsContact C-N 3.33Å; V367-N369 PolarHBondContact O-N 3.48Å; V367-L370 PolarHBondContact O-N 3.08Å; V367-I371 HydrophobicContact CG1-CD1 3.94Å; V367-I371 WeakPolarHBondContact O-CG1 3.43Å; V367-I371 PolarHBondContact O-N 2.81Å; V367-V399 HydrophobicContact CG1-CG1 4.1Å; V367-V399 HydrophobicContact CG1-CG2 4.38Å; V367-I418 HydrophobicContact CB-CG2 4.49Å; V367-I418 HydrophobicContact CG1-CG2 4.14Å; V367-I418 HydrophobicContact CG2-CG2 4.12Å; V367-V422 HydrophobicContact CG1-CG2 3.82Å
368	C	98.6	Very high	98.1	Very high	25 Å²	25	51.3 Å²	51.3	17%	0.169	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-44	175	-69.9	0	0	0	0	112.1	K364 E365 L370 I371 D372	K364-C368 PolarHBondContact O-N 3.38Å; K364-C368 PolarHBondContact O-SG 3.29Å; K364-C368 VanDerWaalsContact O-SG 3.37Å; E365-C368 PolarHBondContact O-N 3.45Å; C368-L370 VanDerWaalsContact C-N 3.31Å; C368-L370 PolarHBondContact O-N 3.44Å; C368-I371 WeakPolarHBondContact O-CB 3.23Å; C368-I371 PolarHBondContact O-N 2.86Å; C368-I371 VanDerWaalsContact O-N 3.15Å; C368-D372 PolarHBondContact O-N 3.08Å
369	N	98.6	Very high	98.1	Very high	86 Å²	86	51.6 Å²	51.6	46%	0.46	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-36.2	178.6	-70.3	-20	0	0	0	112.8	E365 R366 V367 D372 S373	E365-N369 VanDerWaalsContact O-CG 3.24Å; E365-N369 PolarHBondContact O-N 2.83Å; E365-N369 PolarHBondContact O-ND2 2.89Å; R366-N369 PolarHBondContact O-N 2.72Å; V367-N369 VanDerWaalsContact C-N 3.33Å; V367-N369 PolarHBondContact O-N 3.48Å; N369-D372 PolarHBondContact O-N 3.01Å; N369-S373 PolarHBondContact O-N 3.34Å
370	L	98.6	Very high	98.1	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-74.5	-30.2	175	-71.9	174.4	0	0	0	113.1	R366 V367 C368 S373 G374 T412 C413 E416 I418	R366-L370 HydrophobicContact CG-CD1 4.37Å; R366-L370 PolarHBondContact O-N 2.79Å; V367-L370 PolarHBondContact O-N 3.08Å; C368-L370 VanDerWaalsContact C-N 3.31Å; C368-L370 PolarHBondContact O-N 3.44Å; L370-S373 PolarHBondContact O-OG 3.24Å; L370-G374 PolarHBondContact O-N 3.16Å; L370-T412 HydrophobicContact CD2-CG2 3.97Å; L370-C413 VanDerWaalsContact O-CB 3.26Å; L370-C413 WeakPolarHBondContact O-CB 3.41Å; L370-E416 HydrophobicContact CD1-CB 4.49Å; L370-E416 HydrophobicContact CD2-CB 4.08Å; L370-E416 HydrophobicContact CD2-CG 4.48Å; L370-I418 HydrophobicContact CB-CG1 4.34Å; L370-I418 HydrophobicContact CD1-CB 4.08Å; L370-I418 HydrophobicContact CD1-CG1 3.91Å; L370-I418 HydrophobicContact CD1-CG2 4.15Å
371	I	98.6	Very high	98.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-45.8	169.9	-64.6	163.5	0	0	0	109.2	V367 C368 S373 G374 I381 R386 V399 T402 I404 V422	V367-I371 HydrophobicContact CG1-CD1 3.94Å; V367-I371 WeakPolarHBondContact O-CG1 3.43Å; V367-I371 PolarHBondContact O-N 2.81Å; C368-I371 WeakPolarHBondContact O-CB 3.23Å; C368-I371 PolarHBondContact O-N 2.86Å; C368-I371 VanDerWaalsContact O-N 3.15Å; I371-S373 VanDerWaalsContact C-N 3.31Å; I371-S373 PolarHBondContact O-N 2.98Å; I371-G374 PolarHBondContact O-N 2.78Å; I371-G374 VanDerWaalsContact O-N 3.16Å; I371-I381 HydrophobicContact CG2-CD1 3.62Å; I371-I381 HydrophobicContact CG2-CG1 4.37Å; I371-R386 HydrophobicContact CB-CG 4.37Å; I371-R386 HydrophobicContact CD1-CG 3.69Å; I371-R386 HydrophobicContact CG2-CG 4.12Å; I371-V399 HydrophobicContact CD1-CG1 4.3Å; I371-T402 HydrophobicContact CD1-CG2 3.94Å; I371-T402 HydrophobicContact CG1-CG2 4.06Å; I371-T402 HydrophobicContact CG2-CG2 4.03Å; I371-I404 HydrophobicContact CB-CD1 4.46Å; I371-I404 HydrophobicContact CG1-CD1 4.38Å; I371-I404 HydrophobicContact CG2-CD1 4.32Å; I371-V422 HydrophobicContact CD1-CG2 3.78Å; I371-V422 HydrophobicContact CG1-CG1 4.26Å; I371-V422 HydrophobicContact CG1-CG2 3.83Å
372	D	98.3	Very high	98.1	Very high	47 Å²	47	55 Å²	55	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-38.9	177.6	-70.8	7.2	0	0	0	112.5	C368 N369 G374 T375 K376 R386	C368-D372 PolarHBondContact O-N 3.08Å; N369-D372 PolarHBondContact O-N 3.01Å; D372-G374 VanDerWaalsContact C-N 3.25Å; D372-G374 PolarHBondContact O-N 3.38Å; D372-T375 PolarHBondContact O-N 2.96Å; D372-K376 WeakPolarHBondContact O-CG 3.08Å; D372-K376 PolarHBondContact O-N 3.44Å; D372-R386 IonicContact OD1-CZ 2.78Å; D372-R386 IonicContact OD1-NH1 3.87Å; D372-R386 PolarHBondContact OD1-NH1 3.11Å
373	S	98.4	Very high	98.1	Very high	16 Å²	16	50.3 Å²	50.3	11%	0.112	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-37.3	178.3	79.5	0	0	0	0	111.3	N369 L370 I371 T375 K376 E377 C413	N369-S373 PolarHBondContact O-N 3.34Å; L370-S373 PolarHBondContact O-OG 3.24Å; I371-S373 VanDerWaalsContact C-N 3.31Å; I371-S373 PolarHBondContact O-N 2.98Å; S373-T375 PolarHBondContact O-N 2.93Å; S373-K376 PolarHBondContact O-N 3.32Å; S373-E377 WeakPolarHBondContact O-CB 3.35Å; S373-E377 VanDerWaalsContact O-CG 3.24Å; S373-E377 WeakPolarHBondContact O-CG 3.48Å; S373-E377 PolarHBondContact O-N 3.21Å; S373-C413 PolarHBondContact OG-N 2.8Å
374	G	96.8	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.3	-51.5	175.8	0	0	0	0	0	112.1	L370 I371 D372 K376 E377 G378 A379	L370-G374 PolarHBondContact O-N 3.16Å; I371-G374 PolarHBondContact O-N 2.78Å; I371-G374 VanDerWaalsContact O-N 3.16Å; D372-G374 VanDerWaalsContact C-N 3.25Å; D372-G374 PolarHBondContact O-N 3.38Å; G374-K376 PolarHBondContact O-N 2.92Å; G374-E377 PolarHBondContact O-N 3.21Å; G374-G378 PolarHBondContact O-N 2.83Å; G374-A379 WeakPolarHBondContact O-CA 3.48Å; G374-A379 WeakPolarHBondContact O-CB 3.16Å; G374-A379 PolarHBondContact O-N 3.26Å
375	T	94	Very high	98.1	Very high	71 Å²	71	50 Å²	50	44%	0.436	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-41.8	178.1	-54.7	0	0	0	0	112.3	D372 S373 E377 G378 I381	D372-T375 PolarHBondContact O-N 2.96Å; S373-T375 PolarHBondContact O-N 2.93Å; T375-E377 PolarHBondContact O-N 3.01Å; T375-G378 PolarHBondContact O-N 3.37Å; T375-G378 VanDerWaalsContact O-N 3.16Å; T375-I381 WeakPolarHBondContact OG1-CD1 3.18Å; T375-I381 WeakPolarHBondContact OG1-CG1 3.23Å
376	K	97.8	Very high	98.1	Very high	172 Å²	172	47.4 Å²	47.4	75%	0.748	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-29.5	178.3	-72	172.4	-176.3	171.4	0	112.7	D372 S373 G374	D372-K376 WeakPolarHBondContact O-CG 3.08Å; D372-K376 PolarHBondContact O-N 3.44Å; S373-K376 PolarHBondContact O-N 3.32Å; G374-K376 PolarHBondContact O-N 2.92Å
377	E	98.2	Very high	98	Very high	77 Å²	77	51.1 Å²	51.1	36%	0.36	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4.9	-178.7	-65.4	168.3	168.5	0	0	113.1	S373 G374 T375 M411 T412	S373-E377 WeakPolarHBondContact O-CB 3.35Å; S373-E377 VanDerWaalsContact O-CG 3.24Å; S373-E377 WeakPolarHBondContact O-CG 3.48Å; S373-E377 PolarHBondContact O-N 3.21Å; G374-E377 PolarHBondContact O-N 3.21Å; T375-E377 PolarHBondContact O-N 3.01Å; E377-M411 HydrophobicContact CB-CG 4.02Å; E377-M411 WeakPolarHBondContact O-CE 3.46Å; E377-M411 WeakPolarHBondContact OE2-CA 3.47Å; E377-M411 WeakPolarHBondContact OE2-CB 3.44Å; E377-T412 VanDerWaalsContact OE1-CB 3.27Å; E377-T412 WeakPolarHBondContact OE1-CB 3.47Å; E377-T412 PolarHBondContact OE1-N 3.17Å; E377-T412 PolarHBondContact OE1-OG1 2.87Å; E377-T412 PolarHBondContact OE2-N 2.69Å
378	G	97.4	Very high	97.9	Very high	56 Å²	56	53.8 Å²	53.8	58%	0.577	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	7.5	173.4	0	0	0	0	0	115.8	G374 T375	G374-G378 PolarHBondContact O-N 2.83Å; T375-G378 PolarHBondContact O-N 3.37Å; T375-G378 VanDerWaalsContact O-N 3.16Å
379	A	98.3	Very high	97.7	Very high	6 Å²	6	61.8 Å²	61.8	5%	0.05	32%	0.318	C	S	.	.			trans	-77.6	162.3	171.9	0	0	0	0	0	111.8	G374 I404 S405 V407 M411	G374-A379 WeakPolarHBondContact O-CA 3.48Å; G374-A379 WeakPolarHBondContact O-CB 3.16Å; G374-A379 PolarHBondContact O-N 3.26Å; A379-I404 HydrophobicContact CB-CG2 3.6Å; A379-S405 WeakPolarHBondContact CB-O 3.29Å; A379-V407 HydrophobicContact CB-CG2 3.99Å; A379-M411 HydrophobicContact CB-CE 4.21Å; A379-M411 HydrophobicContact CB-SD 3.88Å
380	S	98.4	Very high	97.7	Very high	46 Å²	46	58.1 Å²	58.1	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.7	-178.9	-52.5	0	0	0	0	110.9	I404 S405 N406	S380-I404 CarbonylContact O-C 3.57Å; S380-I404 WeakPolarHBondContact O-CA 3.35Å; S380-S405 PolarHBondContact N-O 3.3Å; S380-S405 PolarHBondContact O-N 3.07Å; S380-N406 PolarHBondContact OG-ND2 3.19Å
381	I	98.5	Very high	97.6	Very high	43 Å²	43	67 Å²	67	22%	0.221	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.2	175	-58.8	173.7	0	0	0	108.1	I371 T375 L383 D384 T402	I371-I381 HydrophobicContact CG2-CD1 3.62Å; I371-I381 HydrophobicContact CG2-CG1 4.37Å; T375-I381 WeakPolarHBondContact OG1-CD1 3.18Å; T375-I381 WeakPolarHBondContact OG1-CG1 3.23Å; I381-L383 VanDerWaalsContact CG2-O 3.29Å; I381-L383 WeakPolarHBondContact CG2-O 3.32Å; I381-D384 HydrophobicContact CG2-CB 3.69Å; I381-T402 HydrophobicContact CG2-CG2 4.4Å
382	L	98.4	Very high	97.5	Very high	73 Å²	73	69.6 Å²	69.6	38%	0.382	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-26	-179.8	-59.8	-172.2	0	0	0	112.9	L333 V337 I403 S405	L333-L382 HydrophobicContact CD1-CD1 4.02Å; L333-L382 HydrophobicContact CD2-CD1 3.52Å; L333-L382 HydrophobicContact CG-CD1 3.63Å; V337-L382 HydrophobicContact CG2-CB 3.85Å; V337-L382 HydrophobicContact CG2-CD1 4.2Å; L382-I403 HydrophobicContact CB-CG2 4.46Å; L382-I403 PolarHBondContact N-O 3.37Å; L382-S405 WeakPolarHBondContact CD1-OG 3.28Å; L382-S405 WeakPolarHBondContact CG-OG 3.38Å
383	L	98.7	Very high	97.4	Very high	26 Å²	26	69.6 Å²	69.6	14%	0.136	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	124.3	171.4	-178.8	60.3	0	0	0	107.7	V337 A340 K341 I381 P401 T402 I403	V337-L383 HydrophobicContact CG1-CB 4.28Å; A340-L383 HydrophobicContact CB-CD2 3.76Å; K341-L383 HydrophobicContact CD-CD1 4.38Å; K341-L383 HydrophobicContact CG-CD1 3.5Å; K341-L383 HydrophobicContact CG-CD2 4.04Å; K341-L383 HydrophobicContact CG-CG 4.4Å; I381-L383 VanDerWaalsContact CG2-O 3.29Å; I381-L383 WeakPolarHBondContact CG2-O 3.32Å; L383-P401 HydrophobicContact CD2-CB 3.95Å; L383-P401 WeakPolarHBondContact CD2-O 3.23Å; L383-P401 WeakPolarHBondContact CG-O 3.27Å; L383-T402 CarbonylContact O-C 3.56Å; L383-T402 VanDerWaalsContact O-CA 3.23Å; L383-T402 WeakPolarHBondContact O-CA 3.23Å; L383-T402 VanDerWaalsContact O-CG2 3.28Å; L383-T402 WeakPolarHBondContact O-CG2 3.26Å; L383-I403 HydrophobicContact CB-CB 4.2Å; L383-I403 PolarHBondContact N-O 3.42Å; L383-I403 PolarHBondContact O-N 2.67Å
384	D	98.6	Very high	97.3	Very high	71 Å²	71	74.9 Å²	74.9	38%	0.38	38%	0.384	S	S	.	.			trans	-113.4	104.7	-174.8	-172.2	-3	0	0	0	111.6	I381 R386	I381-D384 HydrophobicContact CG2-CB 3.69Å; D384-R386 WeakPolarHBondContact OD1-CB 3.48Å; D384-R386 WeakPolarHBondContact OD1-CG 3.2Å; D384-R386 IonicContact OD1-CZ 2.59Å; D384-R386 PolarHBondContact OD1-N 3.29Å; D384-R386 IonicContact OD1-NE 2.85Å; D384-R386 PolarHBondContact OD1-NE 3.32Å; D384-R386 IonicContact OD1-NH2 3.68Å; D384-R386 IonicContact OD2-CZ 3.67Å; D384-R386 IonicContact OD2-NE 3.29Å; D384-R386 PolarHBondContact OD2-NE 3.06Å; D384-R386 IonicContact OD2-NH2 3.38Å; D384-R386 PolarHBondContact OD2-NH2 3.3Å
385	G	98.2	Very high	97.3	Very high	5 Å²	5	81 Å²	81	5%	0.052	42%	0.417	C	S	.	.			trans	-88.6	-3.2	179.4	0	0	0	0	0	115.4	K387 I388 G400 T402	G385-K387 VanDerWaalsContact C-N 3.29Å; G385-K387 PolarHBondContact O-N 3.3Å; G385-I388 PolarHBondContact O-N 3.47Å; G385-G400 PolarHBondContact O-N 3.33Å; G385-T402 WeakPolarHBondContact CA-OG1 3.45Å; G385-T402 PolarHBondContact N-OG1 3.46Å
386	R	98.3	Very high	97.5	Very high	63 Å²	63	77.8 Å²	77.8	24%	0.238	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.8	-169.1	-68.7	174.2	-69.1	-174.7	-1.2	113.9	I371 D372 D384	I371-R386 HydrophobicContact CB-CG 4.37Å; I371-R386 HydrophobicContact CD1-CG 3.69Å; I371-R386 HydrophobicContact CG2-CG 4.12Å; D372-R386 IonicContact OD1-CZ 2.78Å; D372-R386 IonicContact OD1-NH1 3.87Å; D372-R386 PolarHBondContact OD1-NH1 3.11Å; D384-R386 WeakPolarHBondContact OD1-CB 3.48Å; D384-R386 WeakPolarHBondContact OD1-CG 3.2Å; D384-R386 IonicContact OD1-CZ 2.59Å; D384-R386 PolarHBondContact OD1-N 3.29Å; D384-R386 IonicContact OD1-NE 2.85Å; D384-R386 PolarHBondContact OD1-NE 3.32Å; D384-R386 IonicContact OD1-NH2 3.68Å; D384-R386 IonicContact OD2-CZ 3.67Å; D384-R386 IonicContact OD2-NE 3.29Å; D384-R386 PolarHBondContact OD2-NE 3.06Å; D384-R386 IonicContact OD2-NH2 3.38Å; D384-R386 PolarHBondContact OD2-NH2 3.3Å
387	K	96.2	Very high	97.5	Very high	180 Å²	180	69.7 Å²	69.7	78%	0.783	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	18.3	-172.8	-62.1	-176.2	-178.5	177.1	0	113.6	G385 K389	G385-K387 VanDerWaalsContact C-N 3.29Å; G385-K387 PolarHBondContact O-N 3.3Å; K387-K389 PolarHBondContact O-N 3.02Å
388	I	97.1	Very high	97.5	Very high	60 Å²	60	66.2 Å²	66.2	31%	0.308	35%	0.346	S	S	.	.			trans	-59.6	139.1	179.8	-162.4	161.5	0	0	0	110.9	V345 G385 F398	V345-I388 HydrophobicContact CB-CD1 3.52Å; V345-I388 HydrophobicContact CG1-CD1 3.89Å; V345-I388 HydrophobicContact CG2-CD1 3.47Å; V345-I388 VanDerWaalsContact CG2-CD1 3.47Å; G385-I388 PolarHBondContact O-N 3.47Å; I388-F398 HydrophobicContact CG2-CB 3.9Å
389	K	95	Very high	97.6	Very high	192 Å²	192	63.6 Å²	63.6	84%	0.835	32%	0.319	S	S	*	.			trans	-116.4	124.2	173.4	-64.5	-172.7	180	-175.5	0	108.7	K387	K387-K389 PolarHBondContact O-N 3.02Å
390	V	97.6	Very high	97.6	Very high	10 Å²	10	63.4 Å²	63.4	6%	0.061	32%	0.317	C	S	.	.			trans	-105.2	114.8	175.9	-175.4	0	0	0	0	107.5	V345 N346 G392 Y393 F398	V345-V390 HydrophobicContact CG1-CG2 4.02Å; N346-V390 HydrophobicContact CB-CG1 4.46Å; N346-V390 WeakPolarHBondContact OD1-CG1 3.36Å; V390-G392 PolarHBondContact O-N 3.13Å; V390-Y393 HydrophobicContact CG1-CD2 3.87Å; V390-Y393 HydrophobicContact CG1-CG 4.41Å; V390-Y393 CarbonylContact O-C 3.6Å; V390-Y393 PolarHBondContact O-N 3.16Å; V390-F398 HydrophobicContact CB-CD2 4.12Å; V390-F398 HydrophobicContact CB-CE2 4.19Å; V390-F398 HydrophobicContact CB-CG 4.43Å; V390-F398 HydrophobicContact CG1-CZ 4.43Å; V390-F398 HydrophobicContact CG2-CB 4.09Å; V390-F398 HydrophobicContact CG2-CD1 3.85Å; V390-F398 HydrophobicContact CG2-CD2 3.8Å; V390-F398 HydrophobicContact CG2-CE1 4.21Å; V390-F398 HydrophobicContact CG2-CE2 4.2Å; V390-F398 HydrophobicContact CG2-CG 3.61Å; V390-F398 HydrophobicContact CG2-CZ 4.38Å
391	K	96.5	Very high	97.6	Very high	194 Å²	194	61.7 Å²	61.7	84%	0.843	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	127.6	-176.7	-178.4	-179.4	177.7	-178.4	0	110.6	Y393	K391-Y393 VanDerWaalsContact C-N 3.26Å
392	G	96.2	Very high	97.6	Very high	54 Å²	54	59.7 Å²	59.7	56%	0.557	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-0.5	-177.9	0	0	0	0	0	114.5	V390 E394	V390-G392 PolarHBondContact O-N 3.13Å; G392-E394 VanDerWaalsContact C-OE2 3.3Å; G392-E394 WeakPolarHBondContact CA-OE2 3.47Å; G392-E394 PolarHBondContact N-OE1 3.22Å; G392-E394 PolarHBondContact N-OE2 2.85Å
393	Y	97.4	Very high	97.6	Very high	46 Å²	46	56.2 Å²	56.2	18%	0.18	28%	0.276	C	S	.	.			trans	-136.8	38.8	-179.7	-60.6	-79.9	0	0	0	111.2	A63 T64 A347 Q350 V390 K391 N395 G396 F398	A63-Y393 HydrophobicContact CB-CD1 3.93Å; A63-Y393 HydrophobicContact CB-CE1 4.24Å; T64-Y393 HydrophobicContact CG2-CD1 3.86Å; T64-Y393 HydrophobicContact CG2-CE1 4.01Å; A347-Y393 HydrophobicContact CB-CD1 4.01Å; A347-Y393 HydrophobicContact CB-CD2 4.14Å; A347-Y393 HydrophobicContact CB-CE1 3.61Å; A347-Y393 HydrophobicContact CB-CE2 3.73Å; A347-Y393 HydrophobicContact CB-CG 4.27Å; A347-Y393 VanDerWaalsContact CB-CZ 3.46Å; Q350-Y393 HydrophobicContact CG-CE2 4.19Å; Q350-Y393 PolarHBondContact NE2-OH 3.14Å; V390-Y393 HydrophobicContact CG1-CD2 3.87Å; V390-Y393 HydrophobicContact CG1-CG 4.41Å; V390-Y393 CarbonylContact O-C 3.6Å; V390-Y393 PolarHBondContact O-N 3.16Å; K391-Y393 VanDerWaalsContact C-N 3.26Å; Y393-N395 PolarHBondContact O-N 3.47Å; Y393-N395 VanDerWaalsContact O-N 3.16Å; Y393-G396 PolarHBondContact O-N 2.88Å; Y393-F398 HydrophobicContact CG-CE2 4.45Å
394	E	96.4	Very high	97.7	Very high	128 Å²	128	55 Å²	55	60%	0.598	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.4	-172.8	-68.9	73.8	-164.6	0	0	112.7	G392 G396	G392-E394 VanDerWaalsContact C-OE2 3.3Å; G392-E394 WeakPolarHBondContact CA-OE2 3.47Å; G392-E394 PolarHBondContact N-OE1 3.22Å; G392-E394 PolarHBondContact N-OE2 2.85Å; E394-G396 VanDerWaalsContact C-N 3.34Å
395	N	95.9	Very high	97.6	Very high	128 Å²	128	51.8 Å²	51.8	68%	0.684	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-2.7	178.1	-65.3	-31.9	0	0	0	113.4	N65 Y393	N65-N395 PolarHBondContact ND2-O 2.99Å; Y393-N395 PolarHBondContact O-N 3.47Å; Y393-N395 VanDerWaalsContact O-N 3.16Å
396	G	97.7	Very high	97.6	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.031	27%	0.271	C	S	.	.	S	Bend	trans	-72.3	161	-175.6	0	0	0	0	0	115	A63 K364 Y393 E394 F398	A63-G396 WeakPolarHBondContact O-CA 3.35Å; A63-G396 PolarHBondContact O-N 3.47Å; K364-G396 PolarHBondContact NZ-O 3.25Å; Y393-G396 PolarHBondContact O-N 2.88Å; E394-G396 VanDerWaalsContact C-N 3.34Å; G396-F398 PolarHBondContact O-N 2.89Å
397	N	98.6	Very high	97.6	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.016	26%	0.26	C	S	.	.			trans	-82.3	41.8	-178.1	-61.4	-38.5	0	0	0	112.8	P62 N65 P357 L358 T360 P361	P62-N397 PolarHBondContact O-N 3.07Å; P62-N397 PolarHBondContact O-ND2 3.37Å; N65-N397 PolarHBondContact ND2-OD1 2.95Å; N65-N397 PolarHBondContact OD1-ND2 3.43Å; N65-N397 PolarHBondContact OD1-OD1 3.48Å; P357-N397 HydrophobicContact CB-CB 4.19Å; L358-N397 HydrophobicContact CB-CB 4.36Å; L358-N397 WeakPolarHBondContact CB-O 3.25Å; L358-N397 PolarHBondContact N-O 2.96Å; L358-N397 WeakPolarHBondContact O-CB 3.12Å; T360-N397 VanDerWaalsContact C-CG 3.44Å; T360-N397 WeakPolarHBondContact CA-ND2 3.24Å; P361-N397 WeakPolarHBondContact CA-OD1 3.32Å; P361-N397 WeakPolarHBondContact CD-OD1 3.43Å; P361-N397 WeakPolarHBondContact CG-OD1 3.5Å
398	F	98.7	Very high	97.7	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.018	25%	0.246	C	C	.	.			trans	-79.2	136.7	-176.7	-62.6	-80.1	0	0	0	112.8	A63 V345 N346 A347 P357 K364 I388 V390 Y393 G396	A63-F398 HydrophobicContact CB-CE2 4.45Å; A63-F398 HydrophobicContact CB-CZ 4.02Å; V345-F398 HydrophobicContact CG1-CB 4.46Å; V345-F398 HydrophobicContact CG1-CD1 3.7Å; V345-F398 HydrophobicContact CG1-CE1 4.42Å; V345-F398 HydrophobicContact CG1-CG 4.42Å; N346-F398 WeakPolarHBondContact O-CE1 3.3Å; A347-F398 HydrophobicContact CB-CZ 4.46Å; P357-F398 HydrophobicContact CB-CD1 3.95Å; P357-F398 HydrophobicContact CB-CE1 3.79Å; P357-F398 HydrophobicContact CB-CE2 4.36Å; P357-F398 HydrophobicContact CB-CG 4.35Å; P357-F398 HydrophobicContact CB-CZ 4Å; P357-F398 HydrophobicContact CG-CE1 4.14Å; P357-F398 HydrophobicContact CG-CZ 4.23Å; K364-F398 VanDerWaalsContact CE-O 3.22Å; K364-F398 WeakPolarHBondContact CE-O 3.45Å; K364-F398 PolarHBondContact NZ-O 3.4Å; I388-F398 HydrophobicContact CG2-CB 3.9Å; V390-F398 HydrophobicContact CB-CD2 4.12Å; V390-F398 HydrophobicContact CB-CE2 4.19Å; V390-F398 HydrophobicContact CB-CG 4.43Å; V390-F398 HydrophobicContact CG1-CZ 4.43Å; V390-F398 HydrophobicContact CG2-CB 4.09Å; V390-F398 HydrophobicContact CG2-CD1 3.85Å; V390-F398 HydrophobicContact CG2-CD2 3.8Å; V390-F398 HydrophobicContact CG2-CE1 4.21Å; V390-F398 HydrophobicContact CG2-CE2 4.2Å; V390-F398 HydrophobicContact CG2-CG 3.61Å; V390-F398 HydrophobicContact CG2-CZ 4.38Å; Y393-F398 HydrophobicContact CG-CE2 4.45Å; G396-F398 PolarHBondContact O-N 2.89Å
399	V	98.7	Very high	97.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.25	C	S	.	.			trans	-131.9	128.9	161.7	179.1	0	0	0	0	105.5	L355 L358 K364 V367 I371 P421	L355-V399 WeakPolarHBondContact CD2-O 3.4Å; L358-V399 HydrophobicContact CD1-CB 4.16Å; L358-V399 HydrophobicContact CD1-CG2 3.63Å; K364-V399 HydrophobicContact CB-CG2 4.45Å; K364-V399 HydrophobicContact CG-CG2 3.86Å; V367-V399 HydrophobicContact CG1-CG1 4.1Å; V367-V399 HydrophobicContact CG1-CG2 4.38Å; I371-V399 HydrophobicContact CD1-CG1 4.3Å; V399-P421 HydrophobicContact CB-CG 4.03Å; V399-P421 HydrophobicContact CG1-CG 4.09Å; V399-P421 WeakPolarHBondContact O-CG 3.48Å
400	G	98.6	Very high	97.8	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	24%	0.239	C	C	.	.			trans	-75.5	169.9	178.2	0	0	0	0	0	112.7	G385 T402	G385-G400 PolarHBondContact O-N 3.33Å; G400-T402 PolarHBondContact O-N 2.86Å; G400-T402 PolarHBondContact O-OG1 2.77Å
401	P	98.6	Very high	97.8	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.071	24%	0.239	C	C	.	.			trans	-50.5	129.1	170.2	-20.5	29.7	0	0	0	109.9	F310 A340 L343 L355 L383	F310-P401 HydrophobicContact CD1-CB 3.88Å; F310-P401 HydrophobicContact CD2-CB 4.45Å; F310-P401 HydrophobicContact CE1-CB 3.84Å; F310-P401 HydrophobicContact CE2-CB 4.43Å; F310-P401 HydrophobicContact CG-CB 4.2Å; F310-P401 HydrophobicContact CZ-CB 4.13Å; A340-P401 HydrophobicContact CB-CB 4.32Å; L343-P401 HydrophobicContact CB-CG 3.89Å; L343-P401 HydrophobicContact CD1-CB 4.29Å; L343-P401 HydrophobicContact CD1-CG 3.74Å; L343-P401 HydrophobicContact CG-CG 4.39Å; L355-P401 HydrophobicContact CD1-CG 4.09Å; L383-P401 HydrophobicContact CD2-CB 3.95Å; L383-P401 WeakPolarHBondContact CD2-O 3.23Å; L383-P401 WeakPolarHBondContact CG-O 3.27Å
402	T	98.9	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.3	179.5	-58.9	0	0	0	0	109.3	I371 I381 L383 G385 G400 I404 P421 V422 L423	I371-T402 HydrophobicContact CD1-CG2 3.94Å; I371-T402 HydrophobicContact CG1-CG2 4.06Å; I371-T402 HydrophobicContact CG2-CG2 4.03Å; I381-T402 HydrophobicContact CG2-CG2 4.4Å; L383-T402 CarbonylContact O-C 3.56Å; L383-T402 VanDerWaalsContact O-CA 3.23Å; L383-T402 WeakPolarHBondContact O-CA 3.23Å; L383-T402 VanDerWaalsContact O-CG2 3.28Å; L383-T402 WeakPolarHBondContact O-CG2 3.26Å; G385-T402 WeakPolarHBondContact CA-OG1 3.45Å; G385-T402 PolarHBondContact N-OG1 3.46Å; G400-T402 PolarHBondContact O-N 2.86Å; G400-T402 PolarHBondContact O-OG1 2.77Å; T402-I404 HydrophobicContact CG2-CG1 4.13Å; T402-P421 PolarHBondContact N-O 2.75Å; T402-V422 HydrophobicContact CG2-CG1 4.15Å; T402-V422 CarbonylContact O-C 3.55Å; T402-V422 WeakPolarHBondContact O-CA 3.43Å; T402-L423 PolarHBondContact O-N 3.43Å
403	I	98.9	Very high	98	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.5	176.3	-66.5	169.1	0	0	0	108.5	F310 L333 L336 V337 A340 L382 L383 L423 V425	F310-I403 HydrophobicContact CZ-CD1 4.32Å; F310-I403 HydrophobicContact CZ-CG1 3.89Å; L333-I403 HydrophobicContact CD1-CG2 4.17Å; L336-I403 HydrophobicContact CG-CD1 4.25Å; V337-I403 HydrophobicContact CB-CD1 4.33Å; V337-I403 HydrophobicContact CG2-CB 4.32Å; V337-I403 HydrophobicContact CG2-CD1 3.77Å; V337-I403 HydrophobicContact CG2-CG2 4.16Å; A340-I403 HydrophobicContact CB-CD1 3.67Å; L382-I403 HydrophobicContact CB-CG2 4.46Å; L382-I403 PolarHBondContact N-O 3.37Å; L383-I403 HydrophobicContact CB-CB 4.2Å; L383-I403 PolarHBondContact N-O 3.42Å; L383-I403 PolarHBondContact O-N 2.67Å; I403-L423 WeakPolarHBondContact CA-O 3.3Å; I403-L423 HydrophobicContact CG1-CB 4.29Å; I403-V425 HydrophobicContact CG2-CG2 3.92Å
404	I	98.8	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.7	178.8	-47.1	178.6	0	0	0	107.9	I371 A379 S380 T402 V407 V422 L423 V424 V425	I371-I404 HydrophobicContact CB-CD1 4.46Å; I371-I404 HydrophobicContact CG1-CD1 4.38Å; I371-I404 HydrophobicContact CG2-CD1 4.32Å; A379-I404 HydrophobicContact CB-CG2 3.6Å; S380-I404 CarbonylContact O-C 3.57Å; S380-I404 WeakPolarHBondContact O-CA 3.35Å; T402-I404 HydrophobicContact CG2-CG1 4.13Å; I404-V407 HydrophobicContact CB-CG2 4.05Å; I404-V407 HydrophobicContact CG2-CG2 3.6Å; I404-V407 WeakPolarHBondContact O-CG2 3.46Å; I404-V422 HydrophobicContact CD1-CG1 3.73Å; I404-V422 HydrophobicContact CG1-CG1 4.03Å; I404-L423 PolarHBondContact N-O 3.36Å; I404-V424 HydrophobicContact CB-CG1 4.42Å; I404-V424 HydrophobicContact CD1-CG1 4.45Å; I404-V424 CarbonylContact O-C 3.6Å; I404-V424 WeakPolarHBondContact O-CA 3.24Å; I404-V425 PolarHBondContact O-N 2.71Å
405	S	98.4	Very high	98	Very high	5 Å²	5	33.1 Å²	33.1	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	174	177	71.9	0	0	0	0	112.1	A379 S380 L382 V407	A379-S405 WeakPolarHBondContact CB-O 3.29Å; S380-S405 PolarHBondContact N-O 3.3Å; S380-S405 PolarHBondContact O-N 3.07Å; L382-S405 WeakPolarHBondContact CD1-OG 3.28Å; L382-S405 WeakPolarHBondContact CG-OG 3.38Å; S405-V407 PolarHBondContact O-N 2.89Å
406	N	97	Very high	98.1	Very high	78 Å²	78	30.6 Å²	30.6	42%	0.417	16%	0.157	S	C	.	.	S	Bend	trans	57.9	26	-175.5	-62.2	-37.7	0	0	0	113.2	S380	S380-N406 PolarHBondContact OG-ND2 3.19Å
407	V	98.4	Very high	98.1	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.163	C	C	.	.			trans	-74.3	140.6	-179.6	176.9	0	0	0	0	109.9	A379 I404 S405 M411 Y414 V424 V425 L426	A379-V407 HydrophobicContact CB-CG2 3.99Å; I404-V407 HydrophobicContact CB-CG2 4.05Å; I404-V407 HydrophobicContact CG2-CG2 3.6Å; I404-V407 WeakPolarHBondContact O-CG2 3.46Å; S405-V407 PolarHBondContact O-N 2.89Å; V407-M411 HydrophobicContact CB-SD 4.3Å; V407-M411 HydrophobicContact CG1-SD 4.06Å; V407-Y414 HydrophobicContact CG1-CD2 4.36Å; V407-V424 HydrophobicContact CB-CB 4.28Å; V407-V424 HydrophobicContact CG1-CB 4.15Å; V407-V424 HydrophobicContact CG2-CB 3.98Å; V407-V424 HydrophobicContact CG2-CG1 4.26Å; V407-V425 PolarHBondContact N-O 3.14Å; V407-L426 WeakPolarHBondContact O-CG 3.11Å
408	K	97.8	Very high	98	Very high	111 Å²	111	32.1 Å²	32.1	48%	0.483	16%	0.163	S	C	.	.			trans	-119.2	150.6	177.9	-57.8	-60.7	178	-172.9	0	110.6	N410 M411	K408-N410 WeakPolarHBondContact CB-OD1 3.3Å; K408-N410 PolarHBondContact O-N 3.37Å; K408-M411 HydrophobicContact CB-CE 4Å; K408-M411 HydrophobicContact CB-CG 4.28Å; K408-M411 HydrophobicContact CB-SD 4.33Å; K408-M411 HydrophobicContact CG-CE 3.84Å; K408-M411 PolarHBondContact N-SD 2.94Å; K408-M411 WeakPolarHBondContact O-CB 3.36Å; K408-M411 WeakPolarHBondContact O-CG 3.27Å; K408-M411 PolarHBondContact O-N 3.42Å
409	P	97.4	Very high	98	Very high	62 Å²	62	34.3 Å²	34.3	40%	0.403	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.4	-176.4	-27.6	36.3	0	0	0	115.7	Y414 L426	P409-Y414 VanDerWaalsContact CA-CD1 3.41Å; P409-Y414 HydrophobicContact CB-CD1 4.12Å; P409-Y414 HydrophobicContact CB-CE1 3.78Å; P409-Y414 VanDerWaalsContact O-CD1 3.25Å; P409-Y414 WeakPolarHBondContact O-CD1 3.43Å; P409-L426 HydrophobicContact CG-CD2 3.98Å
410	N	96.9	Very high	98	Very high	111 Å²	111	34.5 Å²	34.5	59%	0.594	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.9	177.1	66.3	-36.9	0	0	0	113.9	K408 K415	K408-N410 WeakPolarHBondContact CB-OD1 3.3Å; K408-N410 PolarHBondContact O-N 3.37Å; N410-K415 VanDerWaalsContact C-CE 3.45Å; N410-K415 WeakPolarHBondContact O-CE 3.42Å; N410-K415 PolarHBondContact O-NZ 2.89Å
411	M	98.5	Very high	98	Very high	11 Å²	11	34.5 Å²	34.5	5%	0.054	18%	0.175	C	C	.	.	S	Bend	trans	-75.1	145.7	-177.9	-66	178.5	178.8	0	0	112.4	E377 A379 V407 K408 C413 Y414 K415	E377-M411 HydrophobicContact CB-CG 4.02Å; E377-M411 WeakPolarHBondContact O-CE 3.46Å; E377-M411 WeakPolarHBondContact OE2-CA 3.47Å; E377-M411 WeakPolarHBondContact OE2-CB 3.44Å; A379-M411 HydrophobicContact CB-CE 4.21Å; A379-M411 HydrophobicContact CB-SD 3.88Å; V407-M411 HydrophobicContact CB-SD 4.3Å; V407-M411 HydrophobicContact CG1-SD 4.06Å; K408-M411 HydrophobicContact CB-CE 4Å; K408-M411 HydrophobicContact CB-CG 4.28Å; K408-M411 HydrophobicContact CB-SD 4.33Å; K408-M411 HydrophobicContact CG-CE 3.84Å; K408-M411 PolarHBondContact N-SD 2.94Å; K408-M411 WeakPolarHBondContact O-CB 3.36Å; K408-M411 WeakPolarHBondContact O-CG 3.27Å; K408-M411 PolarHBondContact O-N 3.42Å; M411-C413 PolarHBondContact O-N 2.86Å; M411-Y414 WeakPolarHBondContact O-CB 3.2Å; M411-Y414 PolarHBondContact O-N 3.21Å; M411-Y414 VanDerWaalsContact O-N 3.11Å; M411-K415 WeakPolarHBondContact O-CG 3.25Å; M411-K415 PolarHBondContact O-N 3.36Å
412	T	98.3	Very high	98	Very high	45 Å²	45	34 Å²	34	28%	0.276	17%	0.172	S	C	.	.	H	α-helix	trans	-61.9	-41.8	179.5	-59.2	0	0	0	0	111.5	L370 E377 Y414 K415 E416	L370-T412 HydrophobicContact CD2-CG2 3.97Å; E377-T412 VanDerWaalsContact OE1-CB 3.27Å; E377-T412 WeakPolarHBondContact OE1-CB 3.47Å; E377-T412 PolarHBondContact OE1-N 3.17Å; E377-T412 PolarHBondContact OE1-OG1 2.87Å; E377-T412 PolarHBondContact OE2-N 2.69Å; T412-Y414 PolarHBondContact O-N 3.5Å; T412-K415 PolarHBondContact O-N 3.34Å; T412-E416 HydrophobicContact CG2-CG 4.33Å; T412-E416 PolarHBondContact O-N 3.45Å
413	C	97.3	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-20.2	177.3	67.5	0	0	0	0	113.1	K287 L370 S373 M411	K287-C413 PolarHBondContact NZ-O 2.95Å; L370-C413 VanDerWaalsContact O-CB 3.26Å; L370-C413 WeakPolarHBondContact O-CB 3.41Å; S373-C413 PolarHBondContact OG-N 2.8Å; M411-C413 PolarHBondContact O-N 2.86Å
414	Y	98.3	Very high	98	Very high	8 Å²	8	34 Å²	34	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-86.1	-49.9	171.6	177.7	-92.9	0	0	0	112	K287 H289 T322 V407 P409 M411 T412 E416 V424 L426 I437	K287-Y414 WeakPolarHBondContact CD-O 3.3Å; K287-Y414 WeakPolarHBondContact CE-O 3.32Å; K287-Y414 PolarHBondContact NZ-O 3.34Å; H289-Y414 AromaticContact NE2-CE2 3.5Å; H289-Y414 WeakPolarHBondContact NE2-CE2 3.37Å; H289-Y414 AromaticContact NE2-CZ 3.53Å; H289-Y414 PolarHBondContact NE2-OH 2.95Å; T322-Y414 HydrophobicContact CG2-CE2 4.13Å; V407-Y414 HydrophobicContact CG1-CD2 4.36Å; P409-Y414 VanDerWaalsContact CA-CD1 3.41Å; P409-Y414 HydrophobicContact CB-CD1 4.12Å; P409-Y414 HydrophobicContact CB-CE1 3.78Å; P409-Y414 VanDerWaalsContact O-CD1 3.25Å; P409-Y414 WeakPolarHBondContact O-CD1 3.43Å; M411-Y414 WeakPolarHBondContact O-CB 3.2Å; M411-Y414 PolarHBondContact O-N 3.21Å; M411-Y414 VanDerWaalsContact O-N 3.11Å; T412-Y414 PolarHBondContact O-N 3.5Å; Y414-E416 VanDerWaalsContact C-N 3.35Å; Y414-E416 PolarHBondContact O-N 2.68Å; Y414-V424 HydrophobicContact CD2-CG2 4.43Å; Y414-L426 HydrophobicContact CD2-CD1 3.83Å; Y414-L426 HydrophobicContact CD2-CD2 4.19Å; Y414-L426 HydrophobicContact CE2-CD1 3.76Å; Y414-L426 HydrophobicContact CE2-CD2 3.89Å; Y414-I437 WeakPolarHBondContact OH-CG2 3.49Å; Y414-I437 PolarHBondContact OH-O 2.96Å
415	K	97.2	Very high	98	Very high	112 Å²	112	34.1 Å²	34.1	49%	0.487	17%	0.172	S	C	.	.	H	α-helix	trans	-65.1	-37.5	-174.3	-68.9	177.4	-171.1	162.3	0	113.2	N410 M411 T412	N410-K415 VanDerWaalsContact C-CE 3.45Å; N410-K415 WeakPolarHBondContact O-CE 3.42Å; N410-K415 PolarHBondContact O-NZ 2.89Å; M411-K415 WeakPolarHBondContact O-CG 3.25Å; M411-K415 PolarHBondContact O-N 3.36Å; T412-K415 PolarHBondContact O-N 3.34Å
416	E	96.6	Very high	98	Very high	74 Å²	74	34.1 Å²	34.1	35%	0.346	17%	0.172	S	C	.	.	S	Bend	trans	-88	144.4	-178.3	-66.6	-164.9	-158.4	0	0	112.3	K287 R366 L370 T412 Y414 I418	K287-E416 PolarHBondContact NZ-O 2.86Å; R366-E416 IonicContact CZ-OE2 3.65Å; R366-E416 VanDerWaalsContact CZ-OE2 3.25Å; R366-E416 IonicContact NH1-OE2 2.77Å; R366-E416 PolarHBondContact NH1-OE2 3.37Å; R366-E416 IonicContact NH2-OE2 3.25Å; R366-E416 PolarHBondContact NH2-OE2 2.9Å; L370-E416 HydrophobicContact CD1-CB 4.49Å; L370-E416 HydrophobicContact CD2-CB 4.08Å; L370-E416 HydrophobicContact CD2-CG 4.48Å; T412-E416 HydrophobicContact CG2-CG 4.33Å; T412-E416 PolarHBondContact O-N 3.45Å; Y414-E416 VanDerWaalsContact C-N 3.35Å; Y414-E416 PolarHBondContact O-N 2.68Å; E416-I418 PolarHBondContact O-N 2.88Å
417	E	97.4	Very high	98.1	Very high	33 Å²	33	34 Å²	34	15%	0.154	17%	0.169	C	C	.	.			trans	-68.4	113.7	165.1	-176.3	175.5	-137.3	0	0	108.8	G285 A286 R366 F419	G285-E417 VanDerWaalsContact CA-OE2 3.28Å; G285-E417 WeakPolarHBondContact CA-OE2 2.95Å; A286-E417 PolarHBondContact N-OE1 3.27Å; A286-E417 WeakPolarHBondContact O-CB 3.31Å; A286-E417 VanDerWaalsContact O-CG 3.23Å; A286-E417 WeakPolarHBondContact O-CG 3.38Å; R366-E417 PolarHBondContact NH2-O 3.49Å; E417-F419 HydrophobicContact CG-CB 4.26Å; E417-F419 HydrophobicContact CG-CD2 4Å
418	I	98.1	Very high	98.1	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	17%	0.17	C	C	.	.			trans	-73	-42.8	-178.8	-59.2	168.5	0	0	0	110.4	V367 L370 E416 G420 V422 V424	V367-I418 HydrophobicContact CB-CG2 4.49Å; V367-I418 HydrophobicContact CG1-CG2 4.14Å; V367-I418 HydrophobicContact CG2-CG2 4.12Å; L370-I418 HydrophobicContact CB-CG1 4.34Å; L370-I418 HydrophobicContact CD1-CB 4.08Å; L370-I418 HydrophobicContact CD1-CG1 3.91Å; L370-I418 HydrophobicContact CD1-CG2 4.15Å; E416-I418 PolarHBondContact O-N 2.88Å; I418-G420 VanDerWaalsContact C-N 3.27Å; I418-G420 PolarHBondContact O-N 3.46Å; I418-V422 HydrophobicContact CD1-CB 3.92Å; I418-V422 HydrophobicContact CD1-CG1 3.8Å; I418-V422 HydrophobicContact CG2-CB 4.04Å; I418-V422 HydrophobicContact CG2-CG2 3.82Å; I418-V424 HydrophobicContact CD1-CG1 4.07Å
419	F	98.3	Very high	98.1	Very high	50 Å²	50	35 Å²	35	22%	0.219	18%	0.175	C	C	.	.			trans	55.5	41	-179.1	-141.5	-107.5	0	0	0	113.6	F185 N186 Q315 E417	F185-F419 HydrophobicContact CE1-CE1 4.06Å; F185-F419 HydrophobicContact CE2-CE1 4.22Å; F185-F419 AromaticContact CZ-CD1 3.9Å; F185-F419 HydrophobicContact CZ-CD1 3.9Å; F185-F419 AromaticContact CZ-CE1 3.49Å; F185-F419 HydrophobicContact CZ-CE1 3.49Å; F185-F419 VanDerWaalsContact CZ-CE1 3.49Å; N186-F419 HydrophobicContact CB-CE1 4.1Å; N186-F419 HydrophobicContact CB-CZ 4.06Å; Q315-F419 VanDerWaalsContact C-CZ 3.42Å; Q315-F419 HydrophobicContact CB-CD1 3.9Å; Q315-F419 HydrophobicContact CB-CE1 3.67Å; Q315-F419 HydrophobicContact CB-CZ 4.37Å; Q315-F419 HydrophobicContact CG-CD1 4.01Å; Q315-F419 HydrophobicContact CG-CE1 4.25Å; Q315-F419 WeakPolarHBondContact CG-O 3.41Å; Q315-F419 WeakPolarHBondContact O-CZ 3.5Å; E417-F419 HydrophobicContact CG-CB 4.26Å; E417-F419 HydrophobicContact CG-CD2 4Å
420	G	98.4	Very high	98.2	Very high	5 Å²	5	34.8 Å²	34.8	5%	0.052	17%	0.173	C	C	.	.	S	Bend	trans	-148.5	178.7	177.5	0	0	0	0	0	110.8	A313 I418 V422	A313-G420 CarbonylContact O-C 3.58Å; A313-G420 VanDerWaalsContact O-CA 3.23Å; A313-G420 WeakPolarHBondContact O-CA 3.48Å; I418-G420 VanDerWaalsContact C-N 3.27Å; I418-G420 PolarHBondContact O-N 3.46Å; G420-V422 PolarHBondContact O-N 3.07Å
421	P	98.4	Very high	98.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.15	C	C	.	.	S	Bend	trans	-78.8	62.4	-173.4	32.1	-33.6	0	0	0	111.6	F310 A313 L355 V399 T402	F310-P421 HydrophobicContact CD1-CB 3.93Å; F310-P421 WeakPolarHBondContact CD1-O 3.18Å; F310-P421 WeakPolarHBondContact CE1-O 3.48Å; A313-P421 VanDerWaalsContact O-CD 3.23Å; A313-P421 WeakPolarHBondContact O-CD 3.31Å; A313-P421 VanDerWaalsContact O-N 3.11Å; L355-P421 HydrophobicContact CD1-CB 3.57Å; L355-P421 HydrophobicContact CD1-CG 4.24Å; V399-P421 HydrophobicContact CB-CG 4.03Å; V399-P421 HydrophobicContact CG1-CG 4.09Å; V399-P421 WeakPolarHBondContact O-CG 3.48Å; T402-P421 PolarHBondContact N-O 2.75Å
422	V	98.8	Very high	98.3	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.3	-175.7	-170.8	0	0	0	0	109.5	V367 I371 T402 I404 I418 G420	V367-V422 HydrophobicContact CG1-CG2 3.82Å; I371-V422 HydrophobicContact CD1-CG2 3.78Å; I371-V422 HydrophobicContact CG1-CG1 4.26Å; I371-V422 HydrophobicContact CG1-CG2 3.83Å; T402-V422 HydrophobicContact CG2-CG1 4.15Å; T402-V422 CarbonylContact O-C 3.55Å; T402-V422 WeakPolarHBondContact O-CA 3.43Å; I404-V422 HydrophobicContact CD1-CG1 3.73Å; I404-V422 HydrophobicContact CG1-CG1 4.03Å; I418-V422 HydrophobicContact CD1-CB 3.92Å; I418-V422 HydrophobicContact CD1-CG1 3.8Å; I418-V422 HydrophobicContact CG2-CB 4.04Å; I418-V422 HydrophobicContact CG2-CG2 3.82Å; G420-V422 PolarHBondContact O-N 3.07Å
423	L	98.9	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.7	171.7	-179.4	59.7	0	0	0	109.2	A309 F310 L320 A323 L336 T402 I403 I404 V425	A309-L423 HydrophobicContact CB-CB 4.03Å; A309-L423 HydrophobicContact CB-CD1 4.12Å; A309-L423 HydrophobicContact CB-CD2 4.32Å; A309-L423 HydrophobicContact CB-CG 4.4Å; F310-L423 HydrophobicContact CE1-CB 4.31Å; F310-L423 HydrophobicContact CZ-CB 3.9Å; L320-L423 HydrophobicContact CD2-CD1 4.31Å; L320-L423 WeakPolarHBondContact O-CD1 3.41Å; A323-L423 HydrophobicContact CB-CD1 4.08Å; A323-L423 HydrophobicContact CB-CD2 4.41Å; A323-L423 HydrophobicContact CB-CG 4.47Å; L336-L423 HydrophobicContact CD1-CD2 4.48Å; L336-L423 HydrophobicContact CD2-CD2 3.82Å; L336-L423 HydrophobicContact CG-CD2 4.42Å; T402-L423 PolarHBondContact O-N 3.43Å; I403-L423 WeakPolarHBondContact CA-O 3.3Å; I403-L423 HydrophobicContact CG1-CB 4.29Å; I404-L423 PolarHBondContact N-O 3.36Å; L423-V425 HydrophobicContact CG-CG2 4.32Å
424	V	98.8	Very high	98.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.2	169.2	-59.7	0	0	0	0	109.9	S321 T322 A323 I404 V407 Y414 I418 L426	S321-V424 WeakPolarHBondContact O-CG2 3.28Å; S321-V424 PolarHBondContact O-N 2.9Å; T322-V424 CarbonylContact C-O 3.5Å; T322-V424 VanDerWaalsContact CA-O 3.3Å; T322-V424 WeakPolarHBondContact CA-O 3.37Å; T322-V424 HydrophobicContact CG2-CG2 3.98Å; T322-V424 WeakPolarHBondContact OG1-CG2 3.44Å; A323-V424 PolarHBondContact N-O 2.91Å; I404-V424 HydrophobicContact CB-CG1 4.42Å; I404-V424 HydrophobicContact CD1-CG1 4.45Å; I404-V424 CarbonylContact O-C 3.6Å; I404-V424 WeakPolarHBondContact O-CA 3.24Å; V407-V424 HydrophobicContact CB-CB 4.28Å; V407-V424 HydrophobicContact CG1-CB 4.15Å; V407-V424 HydrophobicContact CG2-CB 3.98Å; V407-V424 HydrophobicContact CG2-CG1 4.26Å; Y414-V424 HydrophobicContact CD2-CG2 4.43Å; I418-V424 HydrophobicContact CD1-CG1 4.07Å; V424-L426 HydrophobicContact CG2-CD1 4.42Å
425	V	98.8	Very high	98.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124	-176.6	-174.6	0	0	0	0	109.8	A323 L325 L333 I403 I404 V407 L423	A323-V425 HydrophobicContact CB-CG2 4.44Å; A323-V425 WeakPolarHBondContact O-CA 3.34Å; L325-V425 HydrophobicContact CD1-CG1 3.8Å; L325-V425 HydrophobicContact CG-CG1 3.98Å; L333-V425 HydrophobicContact CD1-CB 4.37Å; L333-V425 HydrophobicContact CD1-CG1 4.13Å; L333-V425 HydrophobicContact CD1-CG2 3.9Å; L333-V425 HydrophobicContact CD2-CG1 4.44Å; I403-V425 HydrophobicContact CG2-CG2 3.92Å; I404-V425 PolarHBondContact O-N 2.71Å; V407-V425 PolarHBondContact N-O 3.14Å; L423-V425 HydrophobicContact CG-CG2 4.32Å
426	L	98.7	Very high	98.4	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	155.7	170.4	-63.5	90.5	0	0	0	109	T322 A323 V324 L325 V407 P409 Y414 V424 I437	T322-L426 HydrophobicContact CG2-CD1 3.28Å; A323-L426 PolarHBondContact O-N 3.42Å; V324-L426 CarbonylContact C-O 3.15Å; V324-L426 WeakPolarHBondContact CA-O 3.25Å; V324-L426 HydrophobicContact CG2-CB 4.47Å; L325-L426 PolarHBondContact N-O 3.12Å; V407-L426 WeakPolarHBondContact O-CG 3.11Å; P409-L426 HydrophobicContact CG-CD2 3.98Å; Y414-L426 HydrophobicContact CD2-CD1 3.83Å; Y414-L426 HydrophobicContact CD2-CD2 4.19Å; Y414-L426 HydrophobicContact CE2-CD1 3.76Å; Y414-L426 HydrophobicContact CE2-CD2 3.89Å; V424-L426 HydrophobicContact CG2-CD1 4.42Å; L426-I437 HydrophobicContact CD2-CD1 4.32Å; L426-I437 HydrophobicContact CD2-CG2 4.18Å
427	E	98.4	Very high	98.5	Very high	76 Å²	76	33.6 Å²	33.6	36%	0.355	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.4	-179.7	-62.9	-174.8	178.3	0	0	109.4	L325 K330	L325-E427 WeakPolarHBondContact O-CA 3.28Å; K330-E427 HydrophobicContact CD-CB 3.95Å; K330-E427 HydrophobicContact CD-CG 4.28Å; K330-E427 HydrophobicContact CG-CB 3.95Å; K330-E427 HydrophobicContact CG-CG 3.87Å
428	T	98.4	Very high	98.6	Very high	8 Å²	8	32 Å²	32	5%	0.049	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161.7	176.7	64.5	0	0	0	0	110.8	V324 L325 V326 G327 K330 T430 E433 I437	V324-T428 HydrophobicContact CG1-CG2 3.88Å; L325-T428 PolarHBondContact O-N 3.03Å; V326-T428 WeakPolarHBondContact CA-O 3.33Å; G327-T428 PolarHBondContact N-O 3.24Å; K330-T428 WeakPolarHBondContact CE-O 3.44Å; K330-T428 PolarHBondContact NZ-O 3.47Å; T428-T430 PolarHBondContact OG1-O 2.91Å; T428-E433 WeakPolarHBondContact CB-OE2 3.34Å; T428-E433 HydrophobicContact CG2-CB 4.03Å; T428-I437 HydrophobicContact CG2-CD1 3.34Å
429	E	98.4	Very high	98.6	Very high	125 Å²	125	34 Å²	34	58%	0.584	17%	0.17	S	C	*	.	S	Bend	trans	-86.5	-32.6	175.9	-61.3	-52.8	150.7	0	0	112	K330 E433	K330-E429 IonicContact NZ-OE1 2.77Å; K330-E429 PolarHBondContact NZ-OE1 2.85Å; K330-E429 IonicContact NZ-OE2 3.22Å; K330-E429 PolarHBondContact NZ-OE2 2.97Å; E429-E433 PolarHBondContact N-OE2 2.87Å
430	T	98.7	Very high	98.6	Very high	59 Å²	59	37.3 Å²	37.3	36%	0.362	19%	0.19	S	C	.	.	S	Bend	trans	-126.5	159.6	-171.9	71.1	0	0	0	0	113	T428 D432 E433 A434	T428-T430 PolarHBondContact OG1-O 2.91Å; T430-D432 VanDerWaalsContact C-N 3.26Å; T430-D432 PolarHBondContact O-N 2.99Å; T430-E433 WeakPolarHBondContact OG1-CG 3.34Å; T430-E433 PolarHBondContact OG1-N 3.46Å; T430-A434 PolarHBondContact O-N 2.85Å
431	L	98.8	Very high	98.4	Very high	18 Å²	18	37.3 Å²	37.3	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-36.2	170	174.7	62.3	0	0	0	111.6	V291 M293 A434 I435 I449 T456 K459 Y460	V291-L431 HydrophobicContact CG1-CD1 4.35Å; M293-L431 HydrophobicContact CE-CB 4.09Å; M293-L431 HydrophobicContact SD-CB 4.23Å; M293-L431 HydrophobicContact SD-CD1 3.93Å; L431-A434 WeakPolarHBondContact O-CB 3.14Å; L431-A434 PolarHBondContact O-N 3.03Å; L431-I435 HydrophobicContact CD1-CD1 4.06Å; L431-I435 HydrophobicContact CD1-CG1 4.18Å; L431-I435 HydrophobicContact CD2-CD1 4.42Å; L431-I435 HydrophobicContact CG-CD1 3.82Å; L431-I435 HydrophobicContact CG-CG1 4.38Å; L431-I435 WeakPolarHBondContact O-CG1 3.31Å; L431-I435 PolarHBondContact O-N 3.19Å; L431-I449 HydrophobicContact CD1-CD1 3.8Å; L431-T456 HydrophobicContact CD1-CG2 4.45Å; L431-T456 HydrophobicContact CD2-CG2 3.72Å; L431-K459 HydrophobicContact CD2-CD 4.08Å; L431-K459 HydrophobicContact CD2-CG 4.37Å; L431-Y460 HydrophobicContact CD1-CD2 3.97Å
432	D	98.8	Very high	98.3	Very high	84 Å²	84	40.6 Å²	40.6	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-67.8	-41.4	-177.4	-70.7	-38.4	0	0	0	111.7	T430 A434 I435 Q436 K459	T430-D432 VanDerWaalsContact C-N 3.26Å; T430-D432 PolarHBondContact O-N 2.99Å; D432-A434 VanDerWaalsContact C-N 3.33Å; D432-A434 PolarHBondContact O-N 2.86Å; D432-I435 PolarHBondContact O-N 3.05Å; D432-Q436 WeakPolarHBondContact O-CB 3.41Å; D432-Q436 PolarHBondContact O-N 3.41Å; D432-K459 WeakPolarHBondContact OD1-CE 3.28Å; D432-K459 IonicContact OD1-NZ 3.21Å; D432-K459 PolarHBondContact OD1-NZ 3.25Å; D432-K459 IonicContact OD2-NZ 3.57Å; D432-K459 PolarHBondContact OD2-NZ 3.15Å
433	E	98.6	Very high	98.2	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-43.1	170.5	-73.4	166.4	-162.8	0	0	111.7	T428 E429 T430 Q436 I437	T428-E433 WeakPolarHBondContact CB-OE2 3.34Å; T428-E433 HydrophobicContact CG2-CB 4.03Å; E429-E433 PolarHBondContact N-OE2 2.87Å; T430-E433 WeakPolarHBondContact OG1-CG 3.34Å; T430-E433 PolarHBondContact OG1-N 3.46Å; E433-Q436 PolarHBondContact O-N 3.27Å; E433-I437 WeakPolarHBondContact O-CG1 3.38Å; E433-I437 PolarHBondContact O-N 2.83Å
434	A	98.8	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-45.5	177.9	0	0	0	0	0	111.4	V291 V324 V326 T430 L431 D432 Q436 I437 V438	V291-A434 HydrophobicContact CG1-CB 3.73Å; V291-A434 HydrophobicContact CG2-CB 4.13Å; V324-A434 HydrophobicContact CG1-CB 3.82Å; V326-A434 HydrophobicContact CG2-CB 4.02Å; T430-A434 PolarHBondContact O-N 2.85Å; L431-A434 WeakPolarHBondContact O-CB 3.14Å; L431-A434 PolarHBondContact O-N 3.03Å; D432-A434 VanDerWaalsContact C-N 3.33Å; D432-A434 PolarHBondContact O-N 2.86Å; A434-Q436 VanDerWaalsContact C-N 3.31Å; A434-Q436 PolarHBondContact O-N 3.1Å; A434-I437 PolarHBondContact O-N 3.47Å; A434-V438 WeakPolarHBondContact O-CG2 3.24Å; A434-V438 PolarHBondContact O-N 3.38Å; A434-V438 VanDerWaalsContact O-N 3.13Å
435	I	98.8	Very high	97.9	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-44	174.6	-69.9	164.9	0	0	0	110.3	L431 D432 I437 V438 N439 Y460 L463	L431-I435 HydrophobicContact CD1-CD1 4.06Å; L431-I435 HydrophobicContact CD1-CG1 4.18Å; L431-I435 HydrophobicContact CD2-CD1 4.42Å; L431-I435 HydrophobicContact CG-CD1 3.82Å; L431-I435 HydrophobicContact CG-CG1 4.38Å; L431-I435 WeakPolarHBondContact O-CG1 3.31Å; L431-I435 PolarHBondContact O-N 3.19Å; D432-I435 PolarHBondContact O-N 3.05Å; I435-I437 VanDerWaalsContact C-N 3.34Å; I435-I437 PolarHBondContact O-N 3.45Å; I435-V438 PolarHBondContact O-N 3.48Å; I435-N439 WeakPolarHBondContact O-CB 3.3Å; I435-N439 PolarHBondContact O-N 3.38Å; I435-Y460 HydrophobicContact CD1-CD2 4.18Å; I435-Y460 HydrophobicContact CG1-CD2 3.6Å; I435-Y460 HydrophobicContact CG1-CE2 4Å; I435-L463 HydrophobicContact CD1-CB 4.24Å; I435-L463 HydrophobicContact CD1-CD1 4.31Å; I435-L463 HydrophobicContact CG2-CB 4.2Å
436	Q	98.6	Very high	97.9	Very high	117 Å²	117	42.3 Å²	42.3	55%	0.547	22%	0.218	S	C	.	.	H	α-helix	trans	-62	-40.8	179	-170	179.2	12.6	0	0	112.1	D432 E433 A434 V438 N439 N440	D432-Q436 WeakPolarHBondContact O-CB 3.41Å; D432-Q436 PolarHBondContact O-N 3.41Å; E433-Q436 PolarHBondContact O-N 3.27Å; A434-Q436 VanDerWaalsContact C-N 3.31Å; A434-Q436 PolarHBondContact O-N 3.1Å; Q436-V438 PolarHBondContact O-N 2.98Å; Q436-N439 PolarHBondContact O-N 2.93Å; Q436-N440 VanDerWaalsContact O-CB 3.27Å; Q436-N440 WeakPolarHBondContact O-CB 3.18Å; Q436-N440 PolarHBondContact O-N 3.35Å; Q436-N440 PolarHBondContact O-ND2 2.86Å
437	I	98.4	Very high	97.9	Very high	26 Å²	26	42.2 Å²	42.2	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-45.9	174.5	-71	174.2	0	0	0	111.1	Y414 L426 T428 E433 A434 I435 N441	Y414-I437 WeakPolarHBondContact OH-CG2 3.49Å; Y414-I437 PolarHBondContact OH-O 2.96Å; L426-I437 HydrophobicContact CD2-CD1 4.32Å; L426-I437 HydrophobicContact CD2-CG2 4.18Å; T428-I437 HydrophobicContact CG2-CD1 3.34Å; E433-I437 WeakPolarHBondContact O-CG1 3.38Å; E433-I437 PolarHBondContact O-N 2.83Å; A434-I437 PolarHBondContact O-N 3.47Å; I435-I437 VanDerWaalsContact C-N 3.34Å; I435-I437 PolarHBondContact O-N 3.45Å; I437-N441 PolarHBondContact O-N 2.87Å
438	V	98.4	Very high	97.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-41.1	179.7	-179.2	0	0	0	0	111.5	H289 V291 A434 I435 Q436 N441 V464 V466 R488	H289-V438 HydrophobicContact CB-CG2 3.59Å; V291-V438 HydrophobicContact CG2-CG2 4.13Å; A434-V438 WeakPolarHBondContact O-CG2 3.24Å; A434-V438 PolarHBondContact O-N 3.38Å; A434-V438 VanDerWaalsContact O-N 3.13Å; I435-V438 PolarHBondContact O-N 3.48Å; Q436-V438 PolarHBondContact O-N 2.98Å; V438-N441 WeakPolarHBondContact O-CB 3.12Å; V438-N441 PolarHBondContact O-N 2.88Å; V438-V464 HydrophobicContact CB-CG2 4.17Å; V438-V464 HydrophobicContact CG1-CG2 3.54Å; V438-V466 HydrophobicContact CG1-CG2 3.83Å; V438-R488 PolarHBondContact O-NH2 3.03Å
439	N	98.4	Very high	97.9	Very high	45 Å²	45	38.2 Å²	38.2	24%	0.241	20%	0.198	C	C	.	.	H	α-helix	trans	-73.1	-30.4	-179.6	-71.4	0.2	0	0	0	112.4	I435 Q436 N441 L463 V464 D465 R488	I435-N439 WeakPolarHBondContact O-CB 3.3Å; I435-N439 PolarHBondContact O-N 3.38Å; Q436-N439 PolarHBondContact O-N 2.93Å; N439-N441 VanDerWaalsContact C-N 3.29Å; N439-N441 PolarHBondContact O-N 3.24Å; N439-L463 PolarHBondContact ND2-O 3.18Å; N439-V464 WeakPolarHBondContact OD1-CA 3.46Å; N439-D465 PolarHBondContact OD1-N 3.31Å; N439-R488 PolarHBondContact O-NH1 3.28Å
440	N	97.5	Very high	97.9	Very high	121 Å²	121	32.2 Å²	32.2	65%	0.647	17%	0.17	S	C	*	.	H	α-helix	trans	-75.5	-16.3	175.9	-73.5	-14.5	0	0	0	113.6	Q436	Q436-N440 VanDerWaalsContact O-CB 3.27Å; Q436-N440 WeakPolarHBondContact O-CB 3.18Å; Q436-N440 PolarHBondContact O-N 3.35Å; Q436-N440 PolarHBondContact O-ND2 2.86Å
441	N	95.9	Very high	97.9	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	-67.6	131.6	174	178.4	55	0	0	0	110.2	K287 I437 V438 N439 Y443 R488	K287-N441 PolarHBondContact O-ND2 3.49Å; I437-N441 PolarHBondContact O-N 2.87Å; V438-N441 WeakPolarHBondContact O-CB 3.12Å; V438-N441 PolarHBondContact O-N 2.88Å; N439-N441 VanDerWaalsContact C-N 3.29Å; N439-N441 PolarHBondContact O-N 3.24Å; N441-Y443 WeakPolarHBondContact ND2-CB 3.42Å; N441-Y443 PolarHBondContact ND2-O 3.41Å; N441-Y443 PolarHBondContact O-N 3.43Å; N441-R488 PolarHBondContact O-NH1 3.14Å
442	P	95.4	Very high	97.9	Very high	70 Å²	70	33.8 Å²	33.8	46%	0.455	18%	0.18	S	C	.	.	S	Bend	trans	-67.2	-21.9	-177.2	25.7	-35.6	0	0	0	113.9	R488 S489	P442-R488 WeakPolarHBondContact O-CB 3.33Å; P442-S489 WeakPolarHBondContact O-CB 3.45Å; P442-S489 PolarHBondContact O-N 2.93Å; P442-S489 PolarHBondContact O-OG 3.41Å
443	Y	96.9	Very high	97.9	Very high	35 Å²	35	33.3 Å²	33.3	14%	0.137	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	141.8	178.3	-55.7	-81.1	0	0	0	111.4	N263 G285 K287 N441 R488 S490	N263-Y443 WeakPolarHBondContact ND2-CE1 3.39Å; G285-Y443 VanDerWaalsContact O-CD1 3.28Å; G285-Y443 WeakPolarHBondContact O-CD1 3.32Å; K287-Y443 HydrophobicContact CB-CD2 3.61Å; K287-Y443 HydrophobicContact CB-CE2 4.24Å; K287-Y443 HydrophobicContact CB-CG 4.28Å; N441-Y443 WeakPolarHBondContact ND2-CB 3.42Å; N441-Y443 PolarHBondContact ND2-O 3.41Å; N441-Y443 PolarHBondContact O-N 3.43Å; Y443-R488 PolarHBondContact O-NH2 3.49Å; Y443-R488 VanDerWaalsContact O-NH2 3.12Å; Y443-S490 WeakPolarHBondContact CB-OG 3.46Å
444	G	95.5	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	34.7	-177.6	0	0	0	0	0	112.6	G467 S487 S490	G444-G467 PolarHBondContact O-N 2.98Å; G444-S487 WeakPolarHBondContact CA-O 3.2Å; G444-S487 PolarHBondContact N-O 3.16Å; G444-S487 PolarHBondContact O-N 3.44Å; G444-S487 PolarHBondContact O-OG 2.81Å; G444-S487 VanDerWaalsContact O-OG 3.08Å; G444-S490 PolarHBondContact N-OG 2.76Å
445	N	96.7	Very high	97.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	-73.6	-68.8	-174.8	-162.9	26.4	0	0	0	112.4	A286 C317 M318 Q468 F484 S490	A286-N445 HydrophobicContact CB-CB 3.54Å; C317-N445 PolarHBondContact O-ND2 2.95Å; M318-N445 PolarHBondContact SD-ND2 3.29Å; M318-N445 VanDerWaalsContact SD-ND2 3.41Å; N445-Q468 WeakPolarHBondContact O-CB 3.43Å; N445-Q468 PolarHBondContact O-NE2 3.43Å; N445-Q468 PolarHBondContact OD1-NE2 3.27Å; N445-F484 WeakPolarHBondContact OD1-CE1 3.23Å; N445-F484 VanDerWaalsContact OD1-CZ 3.3Å; N445-F484 WeakPolarHBondContact OD1-CZ 3.01Å; N445-S490 WeakPolarHBondContact CB-OG 3.38Å; N445-S490 PolarHBondContact N-OG 3.18Å
446	G	97.5	Very high	97.9	Very high	4 Å²	4	36.4 Å²	36.4	4%	0.041	22%	0.222	C	C	.	.			trans	-146.5	157.8	-179.8	0	0	0	0	0	112.9	N288 Q468	N288-G446 WeakPolarHBondContact CA-O 3.25Å; N288-G446 WeakPolarHBondContact CB-O 3.46Å; N288-G446 WeakPolarHBondContact OD1-CA 3.46Å; N288-G446 PolarHBondContact OD1-N 2.9Å; N288-G446 PolarHBondContact OD1-O 3.42Å; G446-Q468 CarbonylContact C-O 3.58Å; G446-Q468 VanDerWaalsContact CA-O 3.28Å; G446-Q468 WeakPolarHBondContact CA-O 3.44Å
447	T	98.7	Very high	98	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	157.4	178.3	-160.7	0	0	0	0	110.6	H289 Y460 V464 V466 Q468 V469 G470	H289-T447 CarbonylContact O-C 3.56Å; H289-T447 WeakPolarHBondContact O-CA 3.15Å; H289-T447 PolarHBondContact O-OG1 3.46Å; T447-Y460 HydrophobicContact CG2-CE1 3.91Å; T447-Y460 WeakPolarHBondContact CG2-OH 3.45Å; T447-Y460 PolarHBondContact OG1-OH 3.31Å; T447-V464 HydrophobicContact CG2-CG1 4.03Å; T447-V464 HydrophobicContact CG2-CG2 3.92Å; T447-V466 HydrophobicContact CG2-CB 3.77Å; T447-V466 HydrophobicContact CG2-CG1 3.9Å; T447-V466 HydrophobicContact CG2-CG2 4.08Å; T447-Q468 PolarHBondContact N-O 3.18Å; T447-V469 HydrophobicContact CG2-CB 4.45Å; T447-V469 HydrophobicContact CG2-CG1 4.28Å; T447-V469 HydrophobicContact CG2-CG2 4.08Å; T447-V469 CarbonylContact O-C 3.52Å; T447-V469 WeakPolarHBondContact O-CA 3.47Å; T447-G470 PolarHBondContact O-N 2.82Å
448	A	98.8	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.8	178.6	0	0	0	0	0	111.7	H289 G290 V291 L320 F450 G470 V473	H289-A448 PolarHBondContact O-N 3.43Å; G290-A448 CarbonylContact C-O 3.53Å; G290-A448 WeakPolarHBondContact CA-O 3.35Å; V291-A448 PolarHBondContact N-O 3.35Å; L320-A448 HydrophobicContact CD1-CB 4.38Å; A448-F450 HydrophobicContact CB-CE2 4.16Å; A448-F450 HydrophobicContact CB-CZ 4.36Å; A448-G470 CarbonylContact C-O 3.49Å; A448-G470 VanDerWaalsContact CA-O 3.28Å; A448-G470 WeakPolarHBondContact CA-O 3.38Å; A448-V473 WeakPolarHBondContact CB-O 3.4Å
449	I	98.9	Very high	98	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.5	164.4	-174.6	166.2	0	0	0	110.2	V291 M293 L431 T451 T456 Y460 G470 V471 N472	V291-I449 HydrophobicContact CB-CG1 4.41Å; V291-I449 CarbonylContact O-C 3.59Å; V291-I449 WeakPolarHBondContact O-CA 3.49Å; M293-I449 HydrophobicContact CG-CD1 4.09Å; M293-I449 HydrophobicContact CG-CG1 4.24Å; L431-I449 HydrophobicContact CD1-CD1 3.8Å; I449-T451 HydrophobicContact CD1-CG2 4.35Å; I449-T451 HydrophobicContact CG1-CG2 4.2Å; I449-T456 HydrophobicContact CD1-CG2 3.61Å; I449-Y460 HydrophobicContact CB-CD1 3.52Å; I449-Y460 HydrophobicContact CB-CD2 4.32Å; I449-Y460 HydrophobicContact CB-CE1 3.75Å; I449-Y460 HydrophobicContact CB-CG 3.8Å; I449-Y460 VanDerWaalsContact CD1-CB 3.5Å; I449-Y460 HydrophobicContact CD1-CD1 4.25Å; I449-Y460 HydrophobicContact CD1-CD2 3.91Å; I449-Y460 HydrophobicContact CD1-CG 3.62Å; I449-Y460 HydrophobicContact CG1-CD1 4.48Å; I449-Y460 HydrophobicContact CG1-CG 4.29Å; I449-Y460 HydrophobicContact CG2-CD1 3.38Å; I449-Y460 HydrophobicContact CG2-CE1 3.96Å; I449-Y460 HydrophobicContact CG2-CG 3.88Å; I449-G470 PolarHBondContact N-O 3.3Å; I449-V471 HydrophobicContact CG2-CB 4.5Å; I449-V471 HydrophobicContact CG2-CG2 4.05Å; I449-V471 CarbonylContact O-C 3.6Å; I449-V471 WeakPolarHBondContact O-CA 3.3Å; I449-N472 PolarHBondContact O-N 3.48Å
450	F	98.9	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.4	173.2	-57.9	-89.3	0	0	0	109.2	V291 V292 M293 A296 T301 Q304 L305 L320 A448 N472 P474	V291-F450 PolarHBondContact O-N 2.81Å; V292-F450 HydrophobicContact CG2-CD2 3.97Å; M293-F450 WeakPolarHBondContact CB-O 3.2Å; M293-F450 PolarHBondContact N-O 3.3Å; A296-F450 HydrophobicContact CB-CB 3.81Å; A296-F450 WeakPolarHBondContact CB-O 3.18Å; T301-F450 HydrophobicContact CG2-CB 3.82Å; T301-F450 HydrophobicContact CG2-CD1 3.8Å; T301-F450 HydrophobicContact CG2-CD2 3.93Å; T301-F450 HydrophobicContact CG2-CE1 4.35Å; T301-F450 HydrophobicContact CG2-CE2 4.45Å; T301-F450 HydrophobicContact CG2-CG 3.56Å; Q304-F450 HydrophobicContact CB-CE1 4.17Å; L305-F450 HydrophobicContact CD2-CE2 3.92Å; L305-F450 HydrophobicContact CD2-CZ 4.33Å; L320-F450 HydrophobicContact CD1-CE2 4.28Å; L320-F450 HydrophobicContact CD1-CZ 4.41Å; A448-F450 HydrophobicContact CB-CE2 4.16Å; A448-F450 HydrophobicContact CB-CZ 4.36Å; F450-N472 VanDerWaalsContact CA-OD1 3.29Å; F450-N472 WeakPolarHBondContact CA-OD1 3.37Å; F450-P474 HydrophobicContact CZ-CB 3.97Å
451	T	98.8	Very high	98.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	22%	0.223	C	C	.	.			trans	-169	154.9	-176	-173.7	0	0	0	0	109.8	D295 I449 N453 T456 A457 N472	D295-T451 VanDerWaalsContact CG-OG1 3.22Å; D295-T451 PolarHBondContact OD1-OG1 3.24Å; D295-T451 PolarHBondContact OD2-OG1 3.24Å; I449-T451 HydrophobicContact CD1-CG2 4.35Å; I449-T451 HydrophobicContact CG1-CG2 4.2Å; T451-N453 PolarHBondContact OG1-N 3.41Å; T451-T456 HydrophobicContact CG2-CG2 4.07Å; T451-A457 HydrophobicContact CG2-CB 3.94Å; T451-N472 PolarHBondContact N-OD1 3.29Å; T451-N472 PolarHBondContact O-ND2 3.49Å; T451-N472 PolarHBondContact O-OD1 2.98Å; T451-N472 VanDerWaalsContact O-OD1 3.13Å
452	T	98.6	Very high	98.2	Very high	107 Å²	107	44.3 Å²	44.3	66%	0.656	25%	0.254	S	S	*	.	S	Bend	trans	-100.8	-8.4	168.3	62.3	0	0	0	0	112.1	D295	D295-T452 VanDerWaalsContact O-CG2 3.29Å; D295-T452 WeakPolarHBondContact O-CG2 3.44Å; D295-T452 PolarHBondContact O-OG1 3.38Å; D295-T452 VanDerWaalsContact O-OG1 3.05Å; D295-T452 WeakPolarHBondContact OD2-CA 3.42Å; D295-T452 PolarHBondContact OD2-N 3.25Å; D295-T452 PolarHBondContact OD2-OG1 2.87Å
453	N	98.8	Very high	98.3	Very high	74 Å²	74	44.7 Å²	44.7	40%	0.396	25%	0.252	S	S	.	.			trans	-85.8	116.9	-179.9	-172.6	-60.4	0	0	0	112.2	D295 T451 A455 T456 A457	D295-N453 WeakPolarHBondContact OD2-CB 3.47Å; D295-N453 PolarHBondContact OD2-N 3.02Å; T451-N453 PolarHBondContact OG1-N 3.41Å; N453-A455 VanDerWaalsContact C-N 3.34Å; N453-A455 PolarHBondContact O-N 2.75Å; N453-A455 WeakPolarHBondContact OD1-CA 3.26Å; N453-A455 VanDerWaalsContact OD1-CB 3.3Å; N453-A455 WeakPolarHBondContact OD1-CB 3.48Å; N453-A455 PolarHBondContact OD1-N 3.08Å; N453-T456 PolarHBondContact O-N 3.37Å; N453-T456 PolarHBondContact OD1-N 2.86Å; N453-T456 PolarHBondContact OD1-OG1 2.92Å; N453-A457 PolarHBondContact O-N 3.34Å
454	G	98.8	Very high	98.4	Very high	58 Å²	58	43.6 Å²	43.6	60%	0.598	25%	0.249	S	C	*	.	H	α-helix	trans	-63.5	-32.5	179.1	0	0	0	0	0	114.7	R458	G454-R458 WeakPolarHBondContact O-CB 3.12Å; G454-R458 PolarHBondContact O-N 3.5Å
455	A	98.7	Very high	98.5	Very high	73 Å²	73	47.8 Å²	47.8	60%	0.603	27%	0.271	S	S	*	.	H	α-helix	trans	-70.2	-41	177.1	0	0	0	0	0	111.3	N453 R458 K459	N453-A455 VanDerWaalsContact C-N 3.34Å; N453-A455 PolarHBondContact O-N 2.75Å; N453-A455 WeakPolarHBondContact OD1-CA 3.26Å; N453-A455 VanDerWaalsContact OD1-CB 3.3Å; N453-A455 WeakPolarHBondContact OD1-CB 3.48Å; N453-A455 PolarHBondContact OD1-N 3.08Å; A455-R458 PolarHBondContact O-N 3.35Å; A455-K459 VanDerWaalsContact O-CB 3.28Å; A455-K459 WeakPolarHBondContact O-CB 3.42Å; A455-K459 PolarHBondContact O-N 3.24Å
456	T	98.8	Very high	98.5	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.147	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-51	171.9	-60.3	0	0	0	0	111.2	M293 L431 I449 T451 N453 R458 K459 Y460	M293-T456 HydrophobicContact CE-CG2 4.31Å; M293-T456 HydrophobicContact CG-CG2 3.78Å; M293-T456 HydrophobicContact SD-CG2 4.28Å; L431-T456 HydrophobicContact CD1-CG2 4.45Å; L431-T456 HydrophobicContact CD2-CG2 3.72Å; I449-T456 HydrophobicContact CD1-CG2 3.61Å; T451-T456 HydrophobicContact CG2-CG2 4.07Å; N453-T456 PolarHBondContact O-N 3.37Å; N453-T456 PolarHBondContact OD1-N 2.86Å; N453-T456 PolarHBondContact OD1-OG1 2.92Å; T456-R458 VanDerWaalsContact C-N 3.33Å; T456-R458 PolarHBondContact O-N 2.92Å; T456-K459 PolarHBondContact O-N 3.36Å; T456-Y460 WeakPolarHBondContact O-CB 3.32Å; T456-Y460 PolarHBondContact O-N 3.16Å
457	A	98.9	Very high	98.2	Very high	14 Å²	14	49.9 Å²	49.9	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-57.5	-46.1	178.7	0	0	0	0	0	111.8	T451 N453 A461 V471	T451-A457 HydrophobicContact CG2-CB 3.94Å; N453-A457 PolarHBondContact O-N 3.34Å; A457-A461 WeakPolarHBondContact O-CB 3.44Å; A457-A461 PolarHBondContact O-N 3.17Å; A457-V471 HydrophobicContact CB-CG1 3.73Å; A457-V471 HydrophobicContact CB-CG2 4.28Å
458	R	98.7	Very high	98.1	Very high	192 Å²	192	50 Å²	50	73%	0.725	29%	0.29	S	S	*	.	H	α-helix	trans	-65	-45.8	177.8	-179.8	174	177.2	71.1	2	112.3	G454 A455 T456 Y460 A461 H462	G454-R458 WeakPolarHBondContact O-CB 3.12Å; G454-R458 PolarHBondContact O-N 3.5Å; A455-R458 PolarHBondContact O-N 3.35Å; T456-R458 VanDerWaalsContact C-N 3.33Å; T456-R458 PolarHBondContact O-N 2.92Å; R458-Y460 VanDerWaalsContact C-N 3.33Å; R458-Y460 PolarHBondContact O-N 3.04Å; R458-A461 PolarHBondContact O-N 2.92Å; R458-H462 VanDerWaalsContact O-CB 3.25Å; R458-H462 WeakPolarHBondContact O-CB 3.37Å; R458-H462 PolarHBondContact O-N 2.72Å
459	K	98.8	Very high	98.1	Very high	79 Å²	79	52.5 Å²	52.5	34%	0.343	31%	0.305	S	S	.	.	H	α-helix	trans	-58.5	-47.2	178.2	179.5	174.3	174.3	-175.7	0	110.4	L431 D432 A455 T456 H462 L463	L431-K459 HydrophobicContact CD2-CD 4.08Å; L431-K459 HydrophobicContact CD2-CG 4.37Å; D432-K459 WeakPolarHBondContact OD1-CE 3.28Å; D432-K459 IonicContact OD1-NZ 3.21Å; D432-K459 PolarHBondContact OD1-NZ 3.25Å; D432-K459 IonicContact OD2-NZ 3.57Å; D432-K459 PolarHBondContact OD2-NZ 3.15Å; A455-K459 VanDerWaalsContact O-CB 3.28Å; A455-K459 WeakPolarHBondContact O-CB 3.42Å; A455-K459 PolarHBondContact O-N 3.24Å; T456-K459 PolarHBondContact O-N 3.36Å; K459-H462 PolarHBondContact O-N 3.26Å; K459-L463 HydrophobicContact CD-CD1 4.37Å; K459-L463 HydrophobicContact CG-CD1 3.66Å; K459-L463 HydrophobicContact CG-CG 4.42Å; K459-L463 WeakPolarHBondContact O-CB 3.42Å; K459-L463 VanDerWaalsContact O-CG 3.31Å; K459-L463 WeakPolarHBondContact O-CG 3.47Å; K459-L463 PolarHBondContact O-N 3.11Å
460	Y	98.8	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-53.1	177.6	-175.5	-98	0	0	0	112.2	V291 L431 I435 T447 I449 T456 R458 H462 L463 V464 V469	V291-Y460 HydrophobicContact CB-CE2 4.2Å; V291-Y460 HydrophobicContact CG2-CE2 3.7Å; L431-Y460 HydrophobicContact CD1-CD2 3.97Å; I435-Y460 HydrophobicContact CD1-CD2 4.18Å; I435-Y460 HydrophobicContact CG1-CD2 3.6Å; I435-Y460 HydrophobicContact CG1-CE2 4Å; T447-Y460 HydrophobicContact CG2-CE1 3.91Å; T447-Y460 WeakPolarHBondContact CG2-OH 3.45Å; T447-Y460 PolarHBondContact OG1-OH 3.31Å; I449-Y460 HydrophobicContact CB-CD1 3.52Å; I449-Y460 HydrophobicContact CB-CD2 4.32Å; I449-Y460 HydrophobicContact CB-CE1 3.75Å; I449-Y460 HydrophobicContact CB-CG 3.8Å; I449-Y460 VanDerWaalsContact CD1-CB 3.5Å; I449-Y460 HydrophobicContact CD1-CD1 4.25Å; I449-Y460 HydrophobicContact CD1-CD2 3.91Å; I449-Y460 HydrophobicContact CD1-CG 3.62Å; I449-Y460 HydrophobicContact CG1-CD1 4.48Å; I449-Y460 HydrophobicContact CG1-CG 4.29Å; I449-Y460 HydrophobicContact CG2-CD1 3.38Å; I449-Y460 HydrophobicContact CG2-CE1 3.96Å; I449-Y460 HydrophobicContact CG2-CG 3.88Å; T456-Y460 WeakPolarHBondContact O-CB 3.32Å; T456-Y460 PolarHBondContact O-N 3.16Å; R458-Y460 VanDerWaalsContact C-N 3.33Å; R458-Y460 PolarHBondContact O-N 3.04Å; Y460-H462 PolarHBondContact O-N 3.37Å; Y460-L463 PolarHBondContact O-N 3.46Å; Y460-V464 HydrophobicContact CD1-CG1 4.23Å; Y460-V464 HydrophobicContact CE1-CB 4.29Å; Y460-V464 HydrophobicContact CE1-CG1 4.02Å; Y460-V464 HydrophobicContact CE1-CG2 4.4Å; Y460-V464 HydrophobicContact CE2-CB 4.33Å; Y460-V464 HydrophobicContact CE2-CG2 4.23Å; Y460-V464 VanDerWaalsContact O-CB 3.31Å; Y460-V464 WeakPolarHBondContact O-CB 3.49Å; Y460-V464 VanDerWaalsContact O-CG1 3.25Å; Y460-V464 WeakPolarHBondContact O-CG1 3.39Å; Y460-V464 PolarHBondContact O-N 3.11Å; Y460-V469 HydrophobicContact CD1-CG1 4.11Å; Y460-V469 HydrophobicContact CE1-CG1 4.04Å
461	A	98.5	Very high	98.1	Very high	49 Å²	49	55.5 Å²	55.5	41%	0.405	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-27	-179.5	0	0	0	0	0	113.4	A457 R458 V469	A457-A461 WeakPolarHBondContact O-CB 3.44Å; A457-A461 PolarHBondContact O-N 3.17Å; R458-A461 PolarHBondContact O-N 2.92Å; A461-V469 HydrophobicContact CB-CG1 4.27Å
462	H	98.4	Very high	98.1	Very high	146 Å²	146	58.3 Å²	58.3	68%	0.676	34%	0.339	S	S	*	.	H	α-helix	trans	-81.3	-37.4	177.2	-177.4	55.4	0	0	0	113.5	R458 K459 Y460	R458-H462 VanDerWaalsContact O-CB 3.25Å; R458-H462 WeakPolarHBondContact O-CB 3.37Å; R458-H462 PolarHBondContact O-N 2.72Å; K459-H462 PolarHBondContact O-N 3.26Å; Y460-H462 PolarHBondContact O-N 3.37Å
463	L	98.6	Very high	98.1	Very high	78 Å²	78	56.5 Å²	56.5	41%	0.408	33%	0.327	S	S	.	.	H	α-helix	trans	-98.1	-19.4	-171.1	-63.6	179.8	0	0	0	114.1	I435 N439 K459 Y460	I435-L463 HydrophobicContact CD1-CB 4.24Å; I435-L463 HydrophobicContact CD1-CD1 4.31Å; I435-L463 HydrophobicContact CG2-CB 4.2Å; N439-L463 PolarHBondContact ND2-O 3.18Å; K459-L463 HydrophobicContact CD-CD1 4.37Å; K459-L463 HydrophobicContact CG-CD1 3.66Å; K459-L463 HydrophobicContact CG-CG 4.42Å; K459-L463 WeakPolarHBondContact O-CB 3.42Å; K459-L463 VanDerWaalsContact O-CG 3.31Å; K459-L463 WeakPolarHBondContact O-CG 3.47Å; K459-L463 PolarHBondContact O-N 3.11Å; Y460-L463 PolarHBondContact O-N 3.46Å
464	V	98.3	Very high	98	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.079	31%	0.314	C	S	.	.			trans	-74.9	130	178.9	77.4	0	0	0	0	110.6	V438 N439 T447 Y460 V466 V469	V438-V464 HydrophobicContact CB-CG2 4.17Å; V438-V464 HydrophobicContact CG1-CG2 3.54Å; N439-V464 WeakPolarHBondContact OD1-CA 3.46Å; T447-V464 HydrophobicContact CG2-CG1 4.03Å; T447-V464 HydrophobicContact CG2-CG2 3.92Å; Y460-V464 HydrophobicContact CD1-CG1 4.23Å; Y460-V464 HydrophobicContact CE1-CB 4.29Å; Y460-V464 HydrophobicContact CE1-CG1 4.02Å; Y460-V464 HydrophobicContact CE1-CG2 4.4Å; Y460-V464 HydrophobicContact CE2-CB 4.33Å; Y460-V464 HydrophobicContact CE2-CG2 4.23Å; Y460-V464 VanDerWaalsContact O-CB 3.31Å; Y460-V464 WeakPolarHBondContact O-CB 3.49Å; Y460-V464 VanDerWaalsContact O-CG1 3.25Å; Y460-V464 WeakPolarHBondContact O-CG1 3.39Å; Y460-V464 PolarHBondContact O-N 3.11Å; V464-V466 VanDerWaalsContact C-N 3.34Å; V464-V466 HydrophobicContact CG2-CB 4.41Å; V464-V466 HydrophobicContact CG2-CG2 4.03Å; V464-V466 PolarHBondContact O-N 3.33Å; V464-V469 HydrophobicContact CG1-CG1 4.21Å; V464-V469 HydrophobicContact CG1-CG2 3.63Å
465	D	96.8	Very high	97.9	Very high	88 Å²	88	53.5 Å²	53.5	47%	0.471	30%	0.298	S	S	.	.			trans	-93.6	62.1	-178.5	-176.4	19.1	0	0	0	110.6	N439 R488	N439-D465 PolarHBondContact OD1-N 3.31Å; D465-R488 PolarHBondContact O-NE 2.74Å; D465-R488 PolarHBondContact O-NH2 3.34Å; D465-R488 WeakPolarHBondContact OD2-CD 3.46Å; D465-R488 IonicContact OD2-NE 2.58Å
466	V	96.9	Very high	97.7	Very high	15 Å²	15	50.9 Å²	50.9	9%	0.091	28%	0.275	C	S	.	.			trans	-137.1	135.7	-179.1	176.1	0	0	0	0	108.5	V438 T447 V464 Q468 V469	V438-V466 HydrophobicContact CG1-CG2 3.83Å; T447-V466 HydrophobicContact CG2-CB 3.77Å; T447-V466 HydrophobicContact CG2-CG1 3.9Å; T447-V466 HydrophobicContact CG2-CG2 4.08Å; V464-V466 VanDerWaalsContact C-N 3.34Å; V464-V466 HydrophobicContact CG2-CB 4.41Å; V464-V466 HydrophobicContact CG2-CG2 4.03Å; V464-V466 PolarHBondContact O-N 3.33Å; V466-Q468 VanDerWaalsContact C-N 3.34Å; V466-Q468 PolarHBondContact O-N 3.09Å; V466-V469 WeakPolarHBondContact O-CG2 3.31Å
467	G	92.4	Very high	97.6	Very high	34 Å²	34	51.3 Å²	51.3	35%	0.351	28%	0.278	S	S	.	.	S	Bend	trans	-77.5	-14.4	-170.4	0	0	0	0	0	115.5	G444 T485	G444-G467 PolarHBondContact O-N 2.98Å; G467-T485 CarbonylContact C-O 3.53Å; G467-T485 VanDerWaalsContact C-O 3.24Å; G467-T485 WeakPolarHBondContact CA-O 3.16Å; G467-T485 PolarHBondContact O-OG1 2.83Å
468	Q	96.9	Very high	97.4	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.023	28%	0.279	C	S	.	.	S	Bend	trans	-126.4	113.3	174.1	-59.4	168.8	110.3	0	0	110.2	M318 N445 G446 T447 V466 P476 P478 F484 T485	M318-Q468 HydrophobicContact CE-CB 4.42Å; N445-Q468 WeakPolarHBondContact O-CB 3.43Å; N445-Q468 PolarHBondContact O-NE2 3.43Å; N445-Q468 PolarHBondContact OD1-NE2 3.27Å; G446-Q468 CarbonylContact C-O 3.58Å; G446-Q468 VanDerWaalsContact CA-O 3.28Å; G446-Q468 WeakPolarHBondContact CA-O 3.44Å; T447-Q468 PolarHBondContact N-O 3.18Å; V466-Q468 VanDerWaalsContact C-N 3.34Å; V466-Q468 PolarHBondContact O-N 3.09Å; Q468-P476 HydrophobicContact CB-CG 4.34Å; Q468-P478 HydrophobicContact CG-CG 4.12Å; Q468-F484 VanDerWaalsContact NE2-CZ 3.33Å; Q468-F484 VanDerWaalsContact OE1-CE2 3.29Å; Q468-T485 WeakPolarHBondContact CG-OG1 3.44Å
469	V	98.4	Very high	97.1	Very high	51 Å²	51	46.4 Å²	46.4	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.8	-174.2	-174.8	0	0	0	0	110.9	T447 Y460 A461 V464 V466	T447-V469 HydrophobicContact CG2-CB 4.45Å; T447-V469 HydrophobicContact CG2-CG1 4.28Å; T447-V469 HydrophobicContact CG2-CG2 4.08Å; T447-V469 CarbonylContact O-C 3.52Å; T447-V469 WeakPolarHBondContact O-CA 3.47Å; Y460-V469 HydrophobicContact CD1-CG1 4.11Å; Y460-V469 HydrophobicContact CE1-CG1 4.04Å; A461-V469 HydrophobicContact CB-CG1 4.27Å; V464-V469 HydrophobicContact CG1-CG1 4.21Å; V464-V469 HydrophobicContact CG1-CG2 3.63Å; V466-V469 WeakPolarHBondContact O-CG2 3.31Å
470	G	98.5	Very high	96.8	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.3	173.2	0	0	0	0	0	112.4	T447 A448 I449	T447-G470 PolarHBondContact O-N 2.82Å; A448-G470 CarbonylContact C-O 3.49Å; A448-G470 VanDerWaalsContact CA-O 3.28Å; A448-G470 WeakPolarHBondContact CA-O 3.38Å; I449-G470 PolarHBondContact N-O 3.3Å
471	V	98.7	Very high	96.5	Very high	62 Å²	62	48 Å²	48	38%	0.376	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.3	167.2	179.4	0	0	0	0	107	I449 A457 V473	I449-V471 HydrophobicContact CG2-CB 4.5Å; I449-V471 HydrophobicContact CG2-CG2 4.05Å; I449-V471 CarbonylContact O-C 3.6Å; I449-V471 WeakPolarHBondContact O-CA 3.3Å; A457-V471 HydrophobicContact CB-CG1 3.73Å; A457-V471 HydrophobicContact CB-CG2 4.28Å; V471-V473 PolarHBondContact O-N 2.87Å
472	N	98.4	Very high	96.4	Very high	60 Å²	60	52.2 Å²	52.2	32%	0.321	29%	0.285	S	S	.	.	S	Bend	trans	56.4	29.6	-170.3	-55.7	-51.5	0	0	0	113.6	Q304 I449 F450 T451	Q304-N472 PolarHBondContact OE1-O 3.24Å; Q304-N472 VanDerWaalsContact OE1-O 3.07Å; I449-N472 PolarHBondContact O-N 3.48Å; F450-N472 VanDerWaalsContact CA-OD1 3.29Å; F450-N472 WeakPolarHBondContact CA-OD1 3.37Å; T451-N472 PolarHBondContact N-OD1 3.29Å; T451-N472 PolarHBondContact O-ND2 3.49Å; T451-N472 PolarHBondContact O-OD1 2.98Å; T451-N472 VanDerWaalsContact O-OD1 3.13Å
473	V	98.1	Very high	96.3	Very high	69 Å²	69	45.6 Å²	45.6	42%	0.418	26%	0.255	S	S	.	.			trans	-138.3	109	178.2	179.3	0	0	0	0	108.4	A448 V471 I475	A448-V473 WeakPolarHBondContact CB-O 3.4Å; V471-V473 PolarHBondContact O-N 2.87Å; V473-I475 PolarHBondContact O-N 2.82Å
474	P	96.6	Very high	96.2	Very high	19 Å²	19	42 Å²	42	12%	0.123	24%	0.236	C	C	.	.	S	Bend	trans	-72.2	-28.6	-172.8	26.7	-37.9	0	0	0	113.5	Q304 A308 L320 F450 P476	Q304-P474 HydrophobicContact CB-CG 3.98Å; Q304-P474 HydrophobicContact CG-CG 4.44Å; A308-P474 HydrophobicContact CB-CB 3.41Å; A308-P474 VanDerWaalsContact CB-CB 3.41Å; A308-P474 HydrophobicContact CB-CG 3.81Å; L320-P474 HydrophobicContact CD1-CB 3.61Å; F450-P474 HydrophobicContact CZ-CB 3.97Å; P474-P476 VanDerWaalsContact C-CD 3.46Å; P474-P476 VanDerWaalsContact O-CD 3.28Å; P474-P476 WeakPolarHBondContact O-CD 3.26Å
475	I	96.7	Very high	96	Very high	51 Å²	51	43.1 Å²	43.1	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-118.5	80.6	-177.7	-62.5	176.5	0	0	0	106.9	A308 M318 V473 V477	A308-I475 HydrophobicContact CB-CD1 3.99Å; A308-I475 HydrophobicContact CB-CG1 3.86Å; M318-I475 HydrophobicContact CB-CG2 4.02Å; V473-I475 PolarHBondContact O-N 2.82Å; I475-V477 HydrophobicContact CG2-CB 4.48Å; I475-V477 HydrophobicContact CG2-CG2 3.51Å; I475-V477 PolarHBondContact O-N 3.32Å
476	P	96.4	Very high	95.8	Very high	17 Å²	17	39.2 Å²	39.2	11%	0.11	22%	0.223	C	C	.	.			trans	-79.9	51.5	-176.1	34.7	-39.5	0	0	0	112	M318 Q468 P474 P478	M318-P476 HydrophobicContact CE-CG 3.8Å; Q468-P476 HydrophobicContact CB-CG 4.34Å; P474-P476 VanDerWaalsContact C-CD 3.46Å; P474-P476 VanDerWaalsContact O-CD 3.28Å; P474-P476 WeakPolarHBondContact O-CD 3.26Å; P476-P478 WeakPolarHBondContact O-CD 3.14Å
477	V	95.3	Very high	95.6	Very high	34 Å²	34	39.9 Å²	39.9	21%	0.206	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-69	118	177.9	-180	0	0	0	0	109.1	R140 M318 I475 F484	R140-V477 PolarHBondContact NH2-O 3.04Å; M318-V477 HydrophobicContact CB-CG2 4.16Å; M318-V477 HydrophobicContact CE-CG2 4.3Å; M318-V477 HydrophobicContact CG-CG2 3.79Å; I475-V477 HydrophobicContact CG2-CB 4.48Å; I475-V477 HydrophobicContact CG2-CG2 3.51Å; I475-V477 PolarHBondContact O-N 3.32Å; V477-F484 HydrophobicContact CG1-CD2 4.41Å
478	P	94.4	Very high	95.7	Very high	22 Å²	22	41.2 Å²	41.2	14%	0.143	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-59	146	-178.9	-26.2	36.7	0	0	0	111.9	R140 Q468 P476 F482 S483	R140-P478 PolarHBondContact NH2-O 3.12Å; R140-P478 VanDerWaalsContact NH2-O 3.12Å; Q468-P478 HydrophobicContact CG-CG 4.12Å; P476-P478 WeakPolarHBondContact O-CD 3.14Å; P478-F482 HydrophobicContact CB-CB 3.88Å; P478-S483 WeakPolarHBondContact CB-O 3.44Å; P478-S483 VanDerWaalsContact CG-O 3.32Å; P478-S483 WeakPolarHBondContact CG-O 3.42Å
479	L	93.6	Very high	95.6	Very high	81 Å²	81	42.4 Å²	42.4	42%	0.424	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-67.8	154.8	171.2	-66.4	177.6	0	0	0	110.5	M481 F482	L479-M481 VanDerWaalsContact C-N 3.26Å; L479-M481 HydrophobicContact CB-CE 4.38Å; L479-M481 HydrophobicContact CB-SD 3.34Å; L479-M481 WeakPolarHBondContact CB-SD 3.46Å; L479-M481 HydrophobicContact CD1-CE 4.22Å; L479-M481 HydrophobicContact CD1-SD 4.17Å; L479-M481 HydrophobicContact CG-SD 4.41Å; L479-M481 PolarHBondContact O-N 3.33Å; L479-F482 CarbonylContact O-C 3.5Å; L479-F482 WeakPolarHBondContact O-CA 3.31Å; L479-F482 WeakPolarHBondContact O-CB 3.46Å; L479-F482 PolarHBondContact O-N 3.5Å
480	P	92.3	Very high	95.6	Very high	10 Å²	10	40 Å²	40	7%	0.065	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.7	-169.6	-32.2	42.8	0	0	0	118.2	Q143 V144 H147 F482 G499	Q143-P480 HydrophobicContact CB-CG 3.64Å; V144-P480 HydrophobicContact CB-CB 4.45Å; V144-P480 HydrophobicContact CG2-CB 3.93Å; V144-P480 HydrophobicContact CG2-CG 3.82Å; H147-P480 HydrophobicContact CB-CB 3.78Å; H147-P480 PolarHBondContact CD2-O 3.24Å; P480-F482 VanDerWaalsContact C-N 3.26Å; P480-F482 CarbonylContact C-O 3.52Å; P480-F482 VanDerWaalsContact O-O 3.07Å; P480-G499 WeakPolarHBondContact O-CA 3.33Å; P480-G499 PolarHBondContact O-N 3.11Å
481	M	92.7	Very high	95.6	Very high	102 Å²	102	40.8 Å²	40.8	50%	0.502	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-18	170.2	67.7	-75.3	-103	0	0	112.9	L479	L479-M481 VanDerWaalsContact C-N 3.26Å; L479-M481 HydrophobicContact CB-CE 4.38Å; L479-M481 HydrophobicContact CB-SD 3.34Å; L479-M481 WeakPolarHBondContact CB-SD 3.46Å; L479-M481 HydrophobicContact CD1-CE 4.22Å; L479-M481 HydrophobicContact CD1-SD 4.17Å; L479-M481 HydrophobicContact CG-SD 4.41Å; L479-M481 PolarHBondContact O-N 3.33Å
482	F	95.8	Very high	95.5	Very high	137 Å²	137	41 Å²	41	60%	0.601	21%	0.214	S	C	*	.	S	Bend	trans	-92.8	-171.1	163.6	-62.9	-94	0	0	0	109.2	P478 L479 P480 Y498 G499	P478-F482 HydrophobicContact CB-CB 3.88Å; L479-F482 CarbonylContact O-C 3.5Å; L479-F482 WeakPolarHBondContact O-CA 3.31Å; L479-F482 WeakPolarHBondContact O-CB 3.46Å; L479-F482 PolarHBondContact O-N 3.5Å; P480-F482 VanDerWaalsContact C-N 3.26Å; P480-F482 CarbonylContact C-O 3.52Å; P480-F482 VanDerWaalsContact O-O 3.07Å; F482-Y498 WeakPolarHBondContact O-CD2 3.48Å; F482-Y498 WeakPolarHBondContact O-CE2 3.36Å; F482-G499 VanDerWaalsContact O-CA 3.26Å; F482-G499 WeakPolarHBondContact O-CA 3.46Å
483	S	95.6	Very high	95.4	Very high	8 Å²	8	39.7 Å²	39.7	6%	0.056	22%	0.215	C	C	.	.			trans	-123.5	157	179	-62.7	0	0	0	0	110.3	P478 T485 F497 Y498 Q501	P478-S483 WeakPolarHBondContact CB-O 3.44Å; P478-S483 VanDerWaalsContact CG-O 3.32Å; P478-S483 WeakPolarHBondContact CG-O 3.42Å; S483-T485 PolarHBondContact O-N 3.47Å; S483-T485 VanDerWaalsContact O-N 3.16Å; S483-F497 VanDerWaalsContact CA-O 3.3Å; S483-F497 WeakPolarHBondContact CA-O 3.21Å; S483-F497 VanDerWaalsContact CB-O 3.27Å; S483-F497 WeakPolarHBondContact CB-O 2.95Å; S483-Y498 PolarHBondContact OG-O 3.27Å; S483-Q501 VanDerWaalsContact OG-CB 3.31Å; S483-Q501 WeakPolarHBondContact OG-CB 3.35Å; S483-Q501 WeakPolarHBondContact OG-CG 3.41Å; S483-Q501 PolarHBondContact OG-N 2.9Å
484	F	96.7	Very high	95.2	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-74	101	172.2	-167.1	-90.8	0	0	0	109.3	W194 N283 M318 N445 Q468 V477 G486 N496 F497 Y498	W194-F484 HydrophobicContact CH2-CB 4.42Å; W194-F484 AromaticContact CH2-CD2 3.46Å; W194-F484 HydrophobicContact CH2-CD2 3.46Å; W194-F484 VanDerWaalsContact CH2-CD2 3.46Å; W194-F484 AromaticContact CH2-CE2 3.85Å; W194-F484 HydrophobicContact CH2-CE2 3.85Å; W194-F484 HydrophobicContact CH2-CG 4Å; W194-F484 HydrophobicContact CZ2-CD2 4.38Å; W194-F484 HydrophobicContact CZ3-CB 4.2Å; W194-F484 AromaticContact CZ3-CD2 3.9Å; W194-F484 HydrophobicContact CZ3-CD2 3.9Å; W194-F484 HydrophobicContact CZ3-CE2 4.42Å; W194-F484 AromaticContact CZ3-CG 3.95Å; W194-F484 HydrophobicContact CZ3-CG 3.95Å; N283-F484 VanDerWaalsContact OD1-CD1 3.25Å; N283-F484 WeakPolarHBondContact OD1-CD1 3.29Å; N283-F484 WeakPolarHBondContact OD1-CE1 3.49Å; M318-F484 HydrophobicContact CG-CE2 3.87Å; M318-F484 HydrophobicContact CG-CZ 3.87Å; M318-F484 HydrophobicContact SD-CE2 4.07Å; M318-F484 HydrophobicContact SD-CZ 3.77Å; N445-F484 WeakPolarHBondContact OD1-CE1 3.23Å; N445-F484 VanDerWaalsContact OD1-CZ 3.3Å; N445-F484 WeakPolarHBondContact OD1-CZ 3.01Å; Q468-F484 VanDerWaalsContact NE2-CZ 3.33Å; Q468-F484 VanDerWaalsContact OE1-CE2 3.29Å; V477-F484 HydrophobicContact CG1-CD2 4.41Å; F484-G486 PolarHBondContact O-N 2.99Å; F484-N496 VanDerWaalsContact O-CB 3.24Å; F484-N496 WeakPolarHBondContact O-CB 3.33Å; F484-N496 VanDerWaalsContact O-CG 3.27Å; F484-N496 PolarHBondContact O-OD1 3.35Å; F484-F497 HydrophobicContact CB-CB 4.24Å; F484-F497 PolarHBondContact N-O 3.48Å; F484-Y498 WeakPolarHBondContact CA-OH 3.39Å; F484-Y498 HydrophobicContact CB-CE1 3.6Å; F484-Y498 HydrophobicContact CB-CE2 4.47Å; F484-Y498 VanDerWaalsContact CB-OH 3.29Å; F484-Y498 WeakPolarHBondContact CB-OH 3.26Å; F484-Y498 VanDerWaalsContact N-CZ 3.31Å; F484-Y498 PolarHBondContact N-OH 2.67Å
485	T	94.4	Very high	95.1	Very high	38 Å²	38	43.1 Å²	43.1	23%	0.233	23%	0.231	C	C	.	.			trans	-99.5	57.4	-166.3	45.9	0	0	0	0	112.8	G467 Q468 S483	G467-T485 CarbonylContact C-O 3.53Å; G467-T485 VanDerWaalsContact C-O 3.24Å; G467-T485 WeakPolarHBondContact CA-O 3.16Å; G467-T485 PolarHBondContact O-OG1 2.83Å; Q468-T485 WeakPolarHBondContact CG-OG1 3.44Å; S483-T485 PolarHBondContact O-N 3.47Å; S483-T485 VanDerWaalsContact O-N 3.16Å
486	G	92.6	Very high	95.1	Very high	5 Å²	5	41.5 Å²	41.5	5%	0.052	22%	0.223	C	C	.	.			trans	-61.1	148.9	169	0	0	0	0	0	111.2	F484 F491	F484-G486 PolarHBondContact O-N 2.99Å; G486-F491 VanDerWaalsContact O-CB 3.24Å; G486-F491 WeakPolarHBondContact O-CB 3.48Å
487	S	93.4	Very high	95.1	Very high	29 Å²	29	40.7 Å²	40.7	20%	0.203	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	177	177.9	73.6	0	0	0	0	112.3	G444 S489 S490	G444-S487 WeakPolarHBondContact CA-O 3.2Å; G444-S487 PolarHBondContact N-O 3.16Å; G444-S487 PolarHBondContact O-N 3.44Å; G444-S487 PolarHBondContact O-OG 2.81Å; G444-S487 VanDerWaalsContact O-OG 3.08Å; S487-S489 PolarHBondContact O-N 3.14Å; S487-S490 WeakPolarHBondContact O-CA 3.33Å; S487-S490 WeakPolarHBondContact O-CB 3.23Å; S487-S490 PolarHBondContact O-N 2.76Å
488	R	94.9	Very high	95.1	Very high	63 Å²	63	39.1 Å²	39.1	24%	0.238	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	-130.6	175	-58.1	-173.6	-79.1	156.4	1.2	111.9	V438 N439 N441 P442 Y443 D465 S490 F491 R492	V438-R488 PolarHBondContact O-NH2 3.03Å; N439-R488 PolarHBondContact O-NH1 3.28Å; N441-R488 PolarHBondContact O-NH1 3.14Å; P442-R488 WeakPolarHBondContact O-CB 3.33Å; Y443-R488 PolarHBondContact O-NH2 3.49Å; Y443-R488 VanDerWaalsContact O-NH2 3.12Å; D465-R488 PolarHBondContact O-NE 2.74Å; D465-R488 PolarHBondContact O-NH2 3.34Å; D465-R488 WeakPolarHBondContact OD2-CD 3.46Å; D465-R488 IonicContact OD2-NE 2.58Å; R488-S490 PolarHBondContact O-N 2.79Å; R488-S490 VanDerWaalsContact O-N 3.14Å; R488-F491 PolarHBondContact O-N 3.41Å; R488-R492 PolarHBondContact O-NH1 2.7Å
489	S	95.2	Very high	95.2	Very high	30 Å²	30	38.1 Å²	38.1	21%	0.21	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.7	179.8	-51.5	0	0	0	0	114.2	N263 M284 P442 S487	N263-S489 PolarHBondContact ND2-O 3.13Å; M284-S489 WeakPolarHBondContact CE-O 3.42Å; P442-S489 WeakPolarHBondContact O-CB 3.45Å; P442-S489 PolarHBondContact O-N 2.93Å; P442-S489 PolarHBondContact O-OG 3.41Å; S487-S489 PolarHBondContact O-N 3.14Å
490	S	97.5	Very high	95.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.5	176.2	-61.2	0	0	0	0	113.2	M284 G285 Y443 G444 N445 S487 R488	M284-S490 PolarHBondContact N-O 3.35Å; G285-S490 WeakPolarHBondContact O-CA 3.04Å; G285-S490 VanDerWaalsContact O-CB 3.32Å; G285-S490 WeakPolarHBondContact O-CB 3.46Å; G285-S490 PolarHBondContact O-OG 3.31Å; Y443-S490 WeakPolarHBondContact CB-OG 3.46Å; G444-S490 PolarHBondContact N-OG 2.76Å; N445-S490 WeakPolarHBondContact CB-OG 3.38Å; N445-S490 PolarHBondContact N-OG 3.18Å; S487-S490 WeakPolarHBondContact O-CA 3.33Å; S487-S490 WeakPolarHBondContact O-CB 3.23Å; S487-S490 PolarHBondContact O-N 2.76Å; R488-S490 PolarHBondContact O-N 2.79Å; R488-S490 VanDerWaalsContact O-N 3.14Å
491	F	97.9	Very high	95.4	Very high	18 Å²	18	42.8 Å²	42.8	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144.5	178.9	-175.9	-108.5	0	0	0	112.2	Q281 A282 G486 R488 G493 T495 F497	Q281-F491 HydrophobicContact CB-CE2 4.13Å; Q281-F491 HydrophobicContact CB-CZ 4.17Å; A282-F491 CarbonylContact O-C 3.57Å; A282-F491 WeakPolarHBondContact O-CA 3.42Å; A282-F491 WeakPolarHBondContact O-CD2 3.04Å; G486-F491 VanDerWaalsContact O-CB 3.24Å; G486-F491 WeakPolarHBondContact O-CB 3.48Å; R488-F491 PolarHBondContact O-N 3.41Å; F491-G493 WeakPolarHBondContact CE1-O 3.34Å; F491-T495 WeakPolarHBondContact CZ-O 3.44Å; F491-F497 HydrophobicContact CE2-CD2 4.42Å; F491-F497 HydrophobicContact CE2-CE2 4.03Å
492	R	97.7	Very high	95.6	Very high	67 Å²	67	37.9 Å²	37.9	25%	0.253	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.4	165.9	-59.7	-77.1	-179.9	-94.2	-1.4	108.9	E267 F270 A282 M284 R488	E267-R492 IonicContact OE1-CZ 2.71Å; E267-R492 IonicContact OE1-NH2 3.3Å; E267-R492 PolarHBondContact OE1-NH2 2.86Å; F270-R492 HydrophobicContact CB-CB 4.02Å; F270-R492 HydrophobicContact CB-CG 4.44Å; F270-R492 HydrophobicContact CD1-CB 3.92Å; F270-R492 HydrophobicContact CD1-CG 4.35Å; F270-R492 HydrophobicContact CD2-CB 3.41Å; F270-R492 VanDerWaalsContact CD2-CB 3.41Å; F270-R492 HydrophobicContact CE1-CB 4.24Å; F270-R492 HydrophobicContact CE2-CB 3.79Å; F270-R492 HydrophobicContact CG-CB 3.49Å; F270-R492 VanDerWaalsContact CG-CB 3.49Å; F270-R492 HydrophobicContact CG-CG 4.2Å; F270-R492 HydrophobicContact CZ-CB 4.19Å; A282-R492 HydrophobicContact CB-CB 4.27Å; A282-R492 PolarHBondContact N-O 3.12Å; A282-R492 PolarHBondContact O-N 3.06Å; M284-R492 HydrophobicContact CE-CG 3.54Å; M284-R492 HydrophobicContact SD-CG 3.96Å; R488-R492 PolarHBondContact O-NH1 2.7Å
493	G	95.9	Very high	95.7	Very high	33 Å²	33	31.5 Å²	31.5	34%	0.34	17%	0.166	S	C	.	.	S	Bend	trans	128.9	-179.8	-172.6	0	0	0	0	0	110.8	F491	F491-G493 WeakPolarHBondContact CE1-O 3.34Å
494	D	93.6	Very high	95.8	Very high	141 Å²	141	35.6 Å²	35.6	75%	0.754	18%	0.184	S	C	*	.	S	Bend	trans	-114.9	-15.4	177	58.2	4.1	0	0	0	112.8
495	T	95.2	Very high	95.9	Very high	19 Å²	19	35.8 Å²	35.8	12%	0.117	19%	0.185	C	C	.	.	S	Bend	trans	-127.7	118.6	-172.3	-47.5	0	0	0	0	109.3	Q281 F491 Q501 Q504 F505	Q281-T495 VanDerWaalsContact CB-O 3.3Å; Q281-T495 WeakPolarHBondContact CB-O 3.42Å; Q281-T495 PolarHBondContact OE1-O 3.47Å; F491-T495 WeakPolarHBondContact CZ-O 3.44Å; T495-Q501 HydrophobicContact CG2-CB 3.71Å; T495-Q501 WeakPolarHBondContact CG2-O 3.47Å; T495-Q504 HydrophobicContact CG2-CB 4.02Å; T495-F505 HydrophobicContact CG2-CB 3.69Å
496	N	95.8	Very high	96.1	Very high	16 Å²	16	34 Å²	34	9%	0.086	17%	0.174	C	C	.	.			trans	-83.1	172.9	-175.1	-71.6	-75.2	0	0	0	113.7	Q281 F484 Q501 G502	Q281-N496 VanDerWaalsContact OE1-C 3.31Å; Q281-N496 PolarHBondContact OE1-O 3.23Å; F484-N496 VanDerWaalsContact O-CB 3.24Å; F484-N496 WeakPolarHBondContact O-CB 3.33Å; F484-N496 VanDerWaalsContact O-CG 3.27Å; F484-N496 PolarHBondContact O-OD1 3.35Å; N496-Q501 HydrophobicContact CB-CB 4.34Å; N496-Q501 PolarHBondContact ND2-OE1 3.36Å; N496-Q501 CarbonylContact O-C 3.6Å; N496-Q501 WeakPolarHBondContact O-CB 3.49Å; N496-G502 PolarHBondContact O-N 3.13Å
497	F	96.5	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-69.1	142.5	-178.9	-66.7	-97.2	0	0	0	112.9	W194 M195 F259 V260 Q281 N283 S483 F484 F491	W194-F497 HydrophobicContact CE3-CB 4.23Å; W194-F497 HydrophobicContact CE3-CD1 4.48Å; W194-F497 HydrophobicContact CE3-CG 4.41Å; M195-F497 HydrophobicContact CE-CE1 4Å; F259-F497 WeakPolarHBondContact O-CZ 3.27Å; V260-F497 HydrophobicContact CG2-CD1 4.28Å; V260-F497 HydrophobicContact CG2-CE1 3.65Å; V260-F497 HydrophobicContact CG2-CE2 4.36Å; V260-F497 HydrophobicContact CG2-CZ 3.72Å; Q281-F497 HydrophobicContact CB-CE2 4.3Å; Q281-F497 HydrophobicContact CB-CZ 4.35Å; Q281-F497 HydrophobicContact CG-CE1 4.08Å; Q281-F497 HydrophobicContact CG-CE2 4.07Å; Q281-F497 HydrophobicContact CG-CZ 3.74Å; N283-F497 HydrophobicContact CB-CD2 4.14Å; N283-F497 HydrophobicContact CB-CE2 3.54Å; N283-F497 HydrophobicContact CB-CZ 4.14Å; S483-F497 VanDerWaalsContact CA-O 3.3Å; S483-F497 WeakPolarHBondContact CA-O 3.21Å; S483-F497 VanDerWaalsContact CB-O 3.27Å; S483-F497 WeakPolarHBondContact CB-O 2.95Å; F484-F497 HydrophobicContact CB-CB 4.24Å; F484-F497 PolarHBondContact N-O 3.48Å; F491-F497 HydrophobicContact CE2-CD2 4.42Å; F491-F497 HydrophobicContact CE2-CE2 4.03Å
498	Y	96.1	Very high	96.6	Very high	2 Å²	2	37 Å²	37	1%	0.008	18%	0.184	C	C	.	.	S	Bend	trans	48	-174.8	174.4	61.7	-106.1	0	0	0	114.4	V144 W194 F482 S483 F484 G502	V144-Y498 HydrophobicContact CG2-CD1 4.29Å; V144-Y498 HydrophobicContact CG2-CG 4.2Å; W194-Y498 HydrophobicContact CB-CD1 3.98Å; W194-Y498 AromaticContact CD1-CD1 3.92Å; W194-Y498 AromaticContact CD2-CD1 3.56Å; W194-Y498 HydrophobicContact CD2-CD1 3.56Å; W194-Y498 AromaticContact CD2-CE1 3.44Å; W194-Y498 HydrophobicContact CD2-CE1 3.44Å; W194-Y498 VanDerWaalsContact CD2-CE1 3.44Å; W194-Y498 AromaticContact CE2-CD1 3.91Å; W194-Y498 AromaticContact CE2-CE1 3.43Å; W194-Y498 VanDerWaalsContact CE2-CE1 3.43Å; W194-Y498 AromaticContact CE3-CD1 3.99Å; W194-Y498 HydrophobicContact CE3-CD1 3.99Å; W194-Y498 AromaticContact CE3-CE1 3.69Å; W194-Y498 HydrophobicContact CE3-CE1 3.69Å; W194-Y498 AromaticContact CG-CD1 3.57Å; W194-Y498 HydrophobicContact CG-CD1 3.57Å; W194-Y498 AromaticContact CG-CE1 3.95Å; W194-Y498 HydrophobicContact CG-CE1 3.95Å; W194-Y498 AromaticContact CH2-CE1 3.95Å; W194-Y498 HydrophobicContact CH2-CE1 3.95Å; W194-Y498 AromaticContact CZ2-CE1 3.7Å; W194-Y498 HydrophobicContact CZ2-CE1 3.7Å; W194-Y498 AromaticContact CZ3-CE1 3.94Å; W194-Y498 HydrophobicContact CZ3-CE1 3.94Å; W194-Y498 AromaticContact NE1-CE1 3.88Å; F482-Y498 WeakPolarHBondContact O-CD2 3.48Å; F482-Y498 WeakPolarHBondContact O-CE2 3.36Å; S483-Y498 PolarHBondContact OG-O 3.27Å; F484-Y498 WeakPolarHBondContact CA-OH 3.39Å; F484-Y498 HydrophobicContact CB-CE1 3.6Å; F484-Y498 HydrophobicContact CB-CE2 4.47Å; F484-Y498 VanDerWaalsContact CB-OH 3.29Å; F484-Y498 WeakPolarHBondContact CB-OH 3.26Å; F484-Y498 VanDerWaalsContact N-CZ 3.31Å; F484-Y498 PolarHBondContact N-OH 2.67Å; Y498-G502 PolarHBondContact O-N 3.16Å
499	G	95.4	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	60.6	-154.6	-174	0	0	0	0	0	112.8	P480 F482 Q501 G502 I503	P480-G499 WeakPolarHBondContact O-CA 3.33Å; P480-G499 PolarHBondContact O-N 3.11Å; F482-G499 VanDerWaalsContact O-CA 3.26Å; F482-G499 WeakPolarHBondContact O-CA 3.46Å; G499-Q501 VanDerWaalsContact C-N 3.32Å; G499-Q501 PolarHBondContact O-N 3.48Å; G499-G502 PolarHBondContact O-N 3.48Å; G499-I503 WeakPolarHBondContact O-CG1 3.38Å; G499-I503 PolarHBondContact O-N 2.89Å
500	K	94.6	Very high	96.9	Very high	139 Å²	139	42.4 Å²	42.4	60%	0.604	21%	0.209	S	C	*	.	H	α-helix	trans	-62.5	-36	177.9	-67.3	-177.7	179.3	-179.8	0	112.9	L154 I503 Q504	L154-K500 HydrophobicContact CD2-CG 4.23Å; K500-I503 PolarHBondContact O-N 3.49Å; K500-Q504 WeakPolarHBondContact O-CG 3.38Å; K500-Q504 PolarHBondContact O-N 2.86Å; K500-Q504 VanDerWaalsContact O-N 3.11Å
501	Q	96.6	Very high	96.9	Very high	50 Å²	50	46.7 Å²	46.7	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-41.1	177	-61.3	-168.4	35.4	0	0	110.6	S483 T495 N496 G499 I503 Q504 F505	S483-Q501 VanDerWaalsContact OG-CB 3.31Å; S483-Q501 WeakPolarHBondContact OG-CB 3.35Å; S483-Q501 WeakPolarHBondContact OG-CG 3.41Å; S483-Q501 PolarHBondContact OG-N 2.9Å; T495-Q501 HydrophobicContact CG2-CB 3.71Å; T495-Q501 WeakPolarHBondContact CG2-O 3.47Å; N496-Q501 HydrophobicContact CB-CB 4.34Å; N496-Q501 PolarHBondContact ND2-OE1 3.36Å; N496-Q501 CarbonylContact O-C 3.6Å; N496-Q501 WeakPolarHBondContact O-CB 3.49Å; G499-Q501 VanDerWaalsContact C-N 3.32Å; G499-Q501 PolarHBondContact O-N 3.48Å; Q501-I503 VanDerWaalsContact C-N 3.27Å; Q501-I503 PolarHBondContact O-N 3.3Å; Q501-Q504 CarbonylContact O-C 3.6Å; Q501-Q504 WeakPolarHBondContact O-CA 3.36Å; Q501-Q504 WeakPolarHBondContact O-CB 3.4Å; Q501-Q504 PolarHBondContact O-N 3.34Å; Q501-F505 PolarHBondContact O-N 2.99Å
502	G	96.9	Very high	96.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-38.2	173.2	0	0	0	0	0	113.4	N496 Y498 G499 F505 Y506	N496-G502 PolarHBondContact O-N 3.13Å; Y498-G502 PolarHBondContact O-N 3.16Å; G499-G502 PolarHBondContact O-N 3.48Å; G502-F505 PolarHBondContact O-N 2.86Å; G502-Y506 WeakPolarHBondContact O-CD2 3.21Å; G502-Y506 PolarHBondContact O-N 2.86Å
503	I	97.6	Very high	96.9	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-44.5	174.3	-58.8	-70.4	0	0	0	110.8	L154 M155 M198 C202 G499 K500 Q501 Y506 T507	L154-I503 HydrophobicContact CB-CD1 4.06Å; L154-I503 HydrophobicContact CB-CG1 3.98Å; L154-I503 HydrophobicContact CB-CG2 4.5Å; L154-I503 HydrophobicContact CD1-CD1 4.02Å; L154-I503 HydrophobicContact CD1-CG1 4.07Å; L154-I503 HydrophobicContact CG-CG1 4.47Å; M155-I503 HydrophobicContact SD-CG2 4.34Å; M198-I503 HydrophobicContact CE-CD1 3.46Å; M198-I503 VanDerWaalsContact CE-CD1 3.46Å; M198-I503 HydrophobicContact CE-CG1 3.75Å; C202-I503 VanDerWaalsContact SG-CD1 3.58Å; G499-I503 WeakPolarHBondContact O-CG1 3.38Å; G499-I503 PolarHBondContact O-N 2.89Å; K500-I503 PolarHBondContact O-N 3.49Å; Q501-I503 VanDerWaalsContact C-N 3.27Å; Q501-I503 PolarHBondContact O-N 3.3Å; I503-Y506 PolarHBondContact O-N 2.95Å; I503-T507 WeakPolarHBondContact O-CB 3.47Å; I503-T507 WeakPolarHBondContact O-CG2 3.46Å; I503-T507 PolarHBondContact O-N 3Å; I503-T507 VanDerWaalsContact O-N 3.14Å; I503-T507 PolarHBondContact O-OG1 2.89Å
504	Q	97.4	Very high	97	Very high	94 Å²	94	48.5 Å²	48.5	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-44.4	175.2	-67.5	171.6	-10.6	0	0	111.4	R279 T495 K500 Q501 Y506 T507	R279-Q504 PolarHBondContact NH1-O 2.82Å; T495-Q504 HydrophobicContact CG2-CB 4.02Å; K500-Q504 WeakPolarHBondContact O-CG 3.38Å; K500-Q504 PolarHBondContact O-N 2.86Å; K500-Q504 VanDerWaalsContact O-N 3.11Å; Q501-Q504 CarbonylContact O-C 3.6Å; Q501-Q504 WeakPolarHBondContact O-CA 3.36Å; Q501-Q504 WeakPolarHBondContact O-CB 3.4Å; Q501-Q504 PolarHBondContact O-N 3.34Å; Q504-Y506 VanDerWaalsContact C-N 3.3Å; Q504-Y506 PolarHBondContact O-N 2.78Å; Q504-T507 PolarHBondContact O-N 2.92Å
505	F	98.6	Very high	97	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-37.3	-179.5	-175.7	-100.1	0	0	0	112	L176 A256 I257 S258 R279 Q281 T495 Q501 G502	L176-F505 WeakPolarHBondContact CD1-O 3.4Å; A256-F505 HydrophobicContact CB-CE1 3.75Å; A256-F505 HydrophobicContact CB-CZ 3.89Å; I257-F505 WeakPolarHBondContact O-CZ 3.4Å; S258-F505 WeakPolarHBondContact OG-CE1 3.46Å; R279-F505 HydrophobicContact CB-CE2 4.02Å; R279-F505 WeakPolarHBondContact CD-O 3.49Å; R279-F505 HydrophobicContact CG-CD2 4.4Å; R279-F505 HydrophobicContact CG-CE2 3.75Å; R279-F505 HydrophobicContact CG-CZ 3.87Å; R279-F505 PolarHBondContact NH1-O 2.77Å; Q281-F505 HydrophobicContact CB-CD2 4.08Å; Q281-F505 HydrophobicContact CB-CE2 3.75Å; Q281-F505 HydrophobicContact CB-CZ 4.11Å; Q281-F505 HydrophobicContact CG-CD1 4.12Å; Q281-F505 HydrophobicContact CG-CD2 4.04Å; Q281-F505 HydrophobicContact CG-CE1 3.82Å; Q281-F505 HydrophobicContact CG-CE2 3.72Å; Q281-F505 HydrophobicContact CG-CG 4.23Å; Q281-F505 HydrophobicContact CG-CZ 3.61Å; T495-F505 HydrophobicContact CG2-CB 3.69Å; Q501-F505 PolarHBondContact O-N 2.99Å; G502-F505 PolarHBondContact O-N 2.86Å
506	Y	98.7	Very high	96.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	9.3	-178.5	-65.8	-54.8	0	0	0	114.8	C179 M195 M198 A199 N204 F206 S258 G502 I503 Q504	C179-Y506 HydrophobicContact CB-CD1 4.26Å; C179-Y506 HydrophobicContact CB-CE1 4.15Å; M195-Y506 WeakPolarHBondContact CA-OH 3.35Å; M198-Y506 HydrophobicContact CB-CD2 3.92Å; M198-Y506 HydrophobicContact CB-CE2 3.83Å; A199-Y506 HydrophobicContact CB-CD1 3.67Å; A199-Y506 HydrophobicContact CB-CD2 3.98Å; A199-Y506 HydrophobicContact CB-CE1 3.68Å; A199-Y506 HydrophobicContact CB-CE2 4.01Å; A199-Y506 HydrophobicContact CB-CG 3.81Å; N204-Y506 PolarHBondContact ND2-O 3.05Å; F206-Y506 HydrophobicContact CE2-CE1 4.1Å; S258-Y506 PolarHBondContact OG-OH 2.97Å; G502-Y506 WeakPolarHBondContact O-CD2 3.21Å; G502-Y506 PolarHBondContact O-N 2.86Å; I503-Y506 PolarHBondContact O-N 2.95Å; Q504-Y506 VanDerWaalsContact C-N 3.3Å; Q504-Y506 PolarHBondContact O-N 2.78Å
507	T	98.6	Very high	96.4	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	165.3	176.4	60.9	0	0	0	0	112.5	M155 R173 L174 C202 R279 I503 Q504	M155-T507 HydrophobicContact CE-CG2 4.08Å; M155-T507 HydrophobicContact SD-CG2 3.76Å; R173-T507 HydrophobicContact CB-CG2 4.37Å; L174-T507 CarbonylContact O-C 3.29Å; L174-T507 WeakPolarHBondContact O-CA 3.2Å; L174-T507 WeakPolarHBondContact O-CB 3.49Å; C202-T507 HydrophobicContact CB-CG2 3.8Å; R279-T507 PolarHBondContact NH1-O 3.19Å; I503-T507 WeakPolarHBondContact O-CB 3.47Å; I503-T507 WeakPolarHBondContact O-CG2 3.46Å; I503-T507 PolarHBondContact O-N 3Å; I503-T507 VanDerWaalsContact O-N 3.14Å; I503-T507 PolarHBondContact O-OG1 2.89Å; Q504-T507 PolarHBondContact O-N 2.92Å
508	Q	97.9	Very high	95.9	Very high	94 Å²	94	64.7 Å²	64.7	44%	0.439	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.4	167.9	60	-174.8	-13.7	0	0	109.5	L174 P175 L176	L174-Q508 HydrophobicContact CB-CG 4.21Å; L174-Q508 PolarHBondContact N-O 2.83Å; L174-Q508 PolarHBondContact O-N 2.96Å; P175-Q508 PolarHBondContact O-NE2 2.98Å; L176-Q508 HydrophobicContact CD2-CB 3.81Å; L176-Q508 HydrophobicContact CD2-CG 4.03Å
509	L	97.8	Very high	95.3	Very high	95 Å²	95	69.5 Å²	69.5	50%	0.497	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.1	174	-69.4	171.4	0	0	0	109.7	Y172 R173	Y172-L509 CarbonylContact O-C 3.53Å; Y172-L509 WeakPolarHBondContact O-CA 3.2Å; R173-L509 HydrophobicContact CG-CD2 3.68Å
510	K	98.2	Very high	94.7	Very high	110 Å²	110	74.1 Å²	74.1	48%	0.478	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.1	164.9	177.9	-178.9	-70.1	177.6	0	107.8	S171 Y172 L174 I512	S171-K510 CarbonylContact C-O 3.54Å; S171-K510 WeakPolarHBondContact CA-O 3.36Å; Y172-K510 PolarHBondContact N-O 3.31Å; Y172-K510 PolarHBondContact O-N 2.89Å; L174-K510 HydrophobicContact CD1-CB 3.74Å; L174-K510 HydrophobicContact CD1-CD 3.9Å; L174-K510 VanDerWaalsContact CD1-CE 3.41Å; L174-K510 HydrophobicContact CD1-CG 4.45Å; L174-K510 HydrophobicContact CG-CB 4.39Å; K510-I512 HydrophobicContact CD-CD1 4.37Å; K510-I512 HydrophobicContact CG-CG1 4.26Å
511	T	98.2	Very high	94	Very high	91 Å²	91	71.9 Å²	71.9	56%	0.558	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.4	177	-55.1	0	0	0	0	109.7	L169 Y170	L169-T511 HydrophobicContact CD1-CG2 3.46Å; L169-T511 VanDerWaalsContact CD1-CG2 3.46Å; L169-T511 HydrophobicContact CG-CG2 4.23Å; Y170-T511 CarbonylContact O-C 3.55Å; Y170-T511 WeakPolarHBondContact O-CA 3.32Å
512	I	98.3	Very high	93.1	Very high	49 Å²	49	75.1 Å²	75.1	25%	0.251	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.6	-177	-59.1	174.1	0	0	0	107.9	Y170 Y172 K510	Y170-I512 HydrophobicContact CD2-CB 4.08Å; Y170-I512 HydrophobicContact CD2-CD1 4.43Å; Y170-I512 HydrophobicContact CE1-CB 4.47Å; Y170-I512 HydrophobicContact CE1-CG2 4.21Å; Y170-I512 HydrophobicContact CE2-CB 3.68Å; Y170-I512 HydrophobicContact CE2-CD1 3.73Å; Y170-I512 HydrophobicContact CE2-CG1 4.23Å; Y170-I512 HydrophobicContact CE2-CG2 3.9Å; Y170-I512 PolarHBondContact N-O 3.03Å; Y170-I512 PolarHBondContact O-N 3.26Å; Y170-I512 WeakPolarHBondContact OH-CG2 3.43Å; Y172-I512 HydrophobicContact CD2-CD1 3.75Å; Y172-I512 HydrophobicContact CE2-CD1 3.55Å; K510-I512 HydrophobicContact CD-CD1 4.37Å; K510-I512 HydrophobicContact CG-CG1 4.26Å
513	T	97.6	Very high	91.5	Very high	81 Å²	81	79.6 Å²	79.6	50%	0.497	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.2	165.7	-54.7	0	0	0	0	107.3	I163 M167 D168 L169	I163-T513 HydrophobicContact CD1-CG2 4.06Å; M167-T513 HydrophobicContact CE-CG2 3.8Å; M167-T513 HydrophobicContact CG-CG2 3.6Å; M167-T513 HydrophobicContact SD-CG2 3.43Å; M167-T513 WeakPolarHBondContact SD-CG2 3.35Å; D168-T513 WeakPolarHBondContact O-CA 3.4Å; L169-T513 WeakPolarHBondContact CD1-OG1 3.21Å
514	S	96.8	Very high	89.7	Confident	25 Å²	25	85.2 Å²	85.2	18%	0.175	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.5	-175.2	-173.5	0	0	0	0	109.4	M167 D168 W516	M167-S514 WeakPolarHBondContact CA-O 3.33Å; D168-S514 PolarHBondContact N-O 3.17Å; D168-S514 PolarHBondContact O-N 3.43Å; S514-W516 PolarHBondContact OG-NE1 3.27Å
515	Q	94.4	Very high	87.9	Confident	105 Å²	105	84.9 Å²	84.9	49%	0.491	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.9	173.9	-174.8	177.4	46.5	0	0	109.9	D166 M167	D166-Q515 VanDerWaalsContact O-CA 3.3Å; D166-Q515 WeakPolarHBondContact O-CA 3.42Å; D166-Q515 WeakPolarHBondContact O-CG 3.3Å; M167-Q515 HydrophobicContact CB-CB 4.26Å; M167-Q515 HydrophobicContact CB-CG 4.33Å; M167-Q515 HydrophobicContact CG-CB 4.04Å; M167-Q515 HydrophobicContact SD-CB 4.3Å
516	W	91.2	Very high	86.1	Confident	205 Å²	205	90.2 Å²	90.2	78%	0.777	49%	0.492	S	S	*	.			trans	-139.9	98.6	173.5	-65.6	100.9	0	0	0	107.8	D166 S514 E518	D166-W516 WeakPolarHBondContact CB-O 3.45Å; D166-W516 PolarHBondContact O-N 3.24Å; S514-W516 PolarHBondContact OG-NE1 3.27Å; W516-E518 PolarHBondContact O-N 3.3Å
517	K	87.9	Confident	84.1	Confident	69 Å²	69	94.2 Å²	94.2	30%	0.3	53%	0.525	S	S	.	.			trans	-64.6	135.5	-174.9	-58.4	-179.4	171.5	-173.2	0	110.1	D166 E519 D520	D166-K517 WeakPolarHBondContact OD2-CA 3.34Å; K517-E519 HydrophobicContact CB-CG 3.89Å; K517-E519 HydrophobicContact CD-CG 4.24Å; K517-E519 WeakPolarHBondContact CD-OE1 3.41Å; K517-E519 IonicContact NZ-OE1 3.63Å; K517-E519 PolarHBondContact NZ-OE1 3.21Å; K517-E519 PolarHBondContact O-N 3.43Å; K517-D520 WeakPolarHBondContact O-CB 3.49Å; K517-D520 PolarHBondContact O-N 3.34Å
518	E	86	Confident	82.4	Confident	137 Å²	137	100.6 Å²	100.6	64%	0.64	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-56.6	-36.9	-179.9	-173.5	-177.4	-174.4	0	0	111.9	D166 W516 D520 A521	D166-E518 PolarHBondContact OD2-N 3.24Å; D166-E518 VanDerWaalsContact OD2-N 3.09Å; W516-E518 PolarHBondContact O-N 3.3Å; E518-D520 VanDerWaalsContact C-N 3.27Å; E518-D520 PolarHBondContact O-N 3.1Å; E518-A521 PolarHBondContact O-N 3.09Å
519	E	83.1	Confident	80.5	Confident	104 Å²	104	102 Å²	102	49%	0.486	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-61.4	-30.1	178.7	61.2	-172.8	-174.7	0	0	113.7	K517 A521 T522 L523	K517-E519 HydrophobicContact CB-CG 3.89Å; K517-E519 HydrophobicContact CD-CG 4.24Å; K517-E519 WeakPolarHBondContact CD-OE1 3.41Å; K517-E519 IonicContact NZ-OE1 3.63Å; K517-E519 PolarHBondContact NZ-OE1 3.21Å; K517-E519 PolarHBondContact O-N 3.43Å; E519-A521 PolarHBondContact O-N 3.22Å; E519-T522 PolarHBondContact O-N 3.3Å; E519-T522 VanDerWaalsContact O-N 3.1Å; E519-T522 PolarHBondContact O-OG1 3.05Å; E519-L523 HydrophobicContact CB-CD1 4.12Å; E519-L523 HydrophobicContact CG-CD1 4.13Å; E519-L523 WeakPolarHBondContact O-CD1 3.31Å; E519-L523 VanDerWaalsContact O-CG 3.31Å; E519-L523 WeakPolarHBondContact O-CG 3.49Å; E519-L523 PolarHBondContact O-N 3.03Å
520	D	82	Confident	78	Confident	97 Å²	97	105.3 Å²	105.3	52%	0.519	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-65.5	-24	-179.4	-65.5	-24.9	0	0	0	112.2	K517 E518 T522	K517-D520 WeakPolarHBondContact O-CB 3.49Å; K517-D520 PolarHBondContact O-N 3.34Å; E518-D520 VanDerWaalsContact C-N 3.27Å; E518-D520 PolarHBondContact O-N 3.1Å; D520-T522 VanDerWaalsContact C-N 3.27Å; D520-T522 PolarHBondContact O-N 3.18Å
521	A	79.8	Confident	75.7	Confident	92 Å²	92	105.3 Å²	105.3	76%	0.76	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-75.1	-15	178	0	0	0	0	0	113.4	E518 E519	E518-A521 PolarHBondContact O-N 3.09Å; E519-A521 PolarHBondContact O-N 3.22Å
522	T	77.8	Confident	73.7	Confident	117 Å²	117	107 Å²	107	72%	0.718	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	-11.2	-170.9	57.9	0	0	0	0	114.7	E519 D520 S524	E519-T522 PolarHBondContact O-N 3.3Å; E519-T522 VanDerWaalsContact O-N 3.1Å; E519-T522 PolarHBondContact O-OG1 3.05Å; D520-T522 VanDerWaalsContact C-N 3.27Å; D520-T522 PolarHBondContact O-N 3.18Å; T522-S524 PolarHBondContact O-N 3.33Å
523	L	63.1	Low	70.8	Confident	95 Å²	95	114.1 Å²	114.1	50%	0.497	65%	0.649	S	S	.	*			trans	-66	117.4	175.2	-81.6	161	0	0	0	111.8	E519	E519-L523 HydrophobicContact CB-CD1 4.12Å; E519-L523 HydrophobicContact CG-CD1 4.13Å; E519-L523 WeakPolarHBondContact O-CD1 3.31Å; E519-L523 VanDerWaalsContact O-CG 3.31Å; E519-L523 WeakPolarHBondContact O-CG 3.49Å; E519-L523 PolarHBondContact O-N 3.03Å
524	S	60.1	Low	68.3	Low	121 Å²	121	113.6 Å²	113.6	85%	0.846	66%	0.659	S	S	*	*			trans	-106.9	-3.3	175.2	45.8	0	0	0	0	113.8	T522	T522-S524 PolarHBondContact O-N 3.33Å
525	S	60.4	Low	65.7	Low	86 Å²	86	127.2 Å²	127.2	60%	0.601	71%	0.707	S	S	*	*	S	Bend	trans	-120.4	145.7	-179.7	-66.5	0	0	0	0	111.2	A527	S525-A527 PolarHBondContact O-N 3.29Å
526	P	59.3	Low	64.3	Low	117 Å²	117	128.4 Å²	128.4	76%	0.76	72%	0.718	S	S	*	*			trans	-59.8	126.1	179	-19	29.7	0	0	0	111.9	V528	P526-V528 PolarHBondContact O-N 2.98Å
527	A	58.2	Low	62.8	Low	84 Å²	84	124.3 Å²	124.3	69%	0.694	72%	0.715	S	S	*	*			trans	-75	105.8	169.4	0	0	0	0	0	109.4	S525	S525-A527 PolarHBondContact O-N 3.29Å
528	V	62.4	Low	61.5	Low	138 Å²	138	127.4 Å²	127.4	84%	0.836	74%	0.738	S	S	*	*			trans	-92.1	2.8	177.4	-65.3	0	0	0	0	113.3	P526	P526-V528 PolarHBondContact O-N 2.98Å
529	V	58.5	Low	60	Low	123 Å²	123	126.8 Å²	126.8	75%	0.745	74%	0.743	S	S	*	*	S	Bend	trans	-107.5	132.3	-176.5	-172.3	0	0	0	0	109.7
530	M	44.8	Very low	58.6	Low	165 Å²	165	128.3 Å²	128.3	81%	0.813	76%	0.759	S	S	*	*			trans	-64.6	138.7	-175.6	-134	-166.8	-160.6	0	0	111.6	T532	M530-T532 PolarHBondContact O-N 3.23Å
531	P	50.4	Low	57	Low	111 Å²	111	130.3 Å²	130.3	72%	0.721	78%	0.776	S	S	*	*			trans	-63.8	121.2	174.9	-15.6	28.1	0	0	0	110.3
532	T	55.1	Low	55.4	Low	125 Å²	125	133.1 Å²	133.1	77%	0.767	78%	0.777	S	S	*	*			trans	-109.1	153.7	167.8	56.5	0	0	0	0	109.7	M530 G534	M530-T532 PolarHBondContact O-N 3.23Å; T532-G534 PolarHBondContact O-N 3.31Å
533	M	38.1	Very low	53.7	Low	200 Å²	200	134.3 Å²	134.3	99%	0.985	78%	0.781	S	S	*	*			trans	-68.5	99.4	175.7	-70	-155.7	-75.4	0	0	109.4
534	G	45.8	Very low	52.9	Low	69 Å²	69	137.6 Å²	137.6	71%	0.711	81%	0.805	S	S	*	*			trans	-103.5	117.6	175.1	0	0	0	0	0	111.8	T532	T532-G534 PolarHBondContact O-N 3.31Å
535	R	41.3	Very low	52.2	Low	312 Å²	312	139.1 Å²	139.1	100%	1.177	80%	0.801	S	S	*	*			trans	25.1	0	164.5	-75.1	-174.4	-179.1	175.2	1	120.5

Retrieved 535 of 535 residues in 106.1 ms (Link to these results)

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