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GDP-fucose protein O-fucosyltransferase 1

Catalyzes the reaction that attaches fucose through an O-glycosidic linkage to a conserved serine or threonine residue found in the consensus sequence C2-X(4,5)-[S/T]-C3 of EGF domains, where C2 and C3 are the second and third conserved cysteines. Specifically uses GDP-fucose as donor substrate and proper disulfide pairing of the substrate EGF domains is required for fucose transfer. Plays a crucial role in NOTCH signaling. Initial fucosylation of NOTCH by POFUT1 generates a substrate for FRINGE/RFNG, an acetylglucosaminyltransferase that can then extend the fucosylation on the NOTCH EGF repeats. This extended fucosylation is required for optimal ligand binding and canonical NOTCH signaling induced by DLL1 or JAGGED1. Fucosylates AGRN and determines its ability to cluster acetylcholine receptors (AChRs).

AlphaFold DB , UniProt , Accession H9FS63, Species MACMU (Macaca mulatta, Rhesus macaque), Gene POFUT1, Length 388 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	39.1	Very low	252 Å²	252	147 Å²	147	100%	1.241	87%	0.869	S	S	*	*				0	98.5	0	-60.3	174.1	-176.2	0	0	105.4
2	G	40.3	Very low	39.4	Very low	85 Å²	85	144.6 Å²	144.6	88%	0.876	86%	0.856	S	S	*	*			cis	108.6	81.1	44.5	0	0	0	0	0	107.3
3	A	37.2	Very low	39.7	Very low	104 Å²	104	141.8 Å²	141.8	86%	0.86	84%	0.844	S	S	*	*			trans	-150.3	108.1	168.2	0	0	0	0	0	109.1
4	A	37.3	Very low	39.8	Very low	89 Å²	89	145.6 Å²	145.6	74%	0.736	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-75.7	129.7	-177.7	0	0	0	0	0	111
5	A	41.8	Very low	39.9	Very low	104 Å²	104	145.5 Å²	145.5	86%	0.86	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-81.3	120.4	168.1	0	0	0	0	0	109.2
6	W	36.5	Very low	39.9	Very low	248 Å²	248	145.4 Å²	145.4	94%	0.939	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79.2	120.9	174.8	-79.9	48.8	0	0	0	109.9
7	A	39	Very low	39.9	Very low	88 Å²	88	144.9 Å²	144.9	73%	0.727	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.7	144.5	166.6	0	0	0	0	0	110
8	P	39.7	Very low	40	Very low	113 Å²	113	146.1 Å²	146.1	73%	0.734	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-77.6	154	176	33.3	-32.3	0	0	0	110.6
9	P	39	Very low	39.7	Very low	121 Å²	121	145.7 Å²	145.7	79%	0.786	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74	132	177.9	30.3	-31.2	0	0	0	110.1	R11	P9-R11 PolarHBondContact O-N 3.19Å
10	L	39.1	Very low	39.6	Very low	165 Å²	165	144.4 Å²	144.4	86%	0.864	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-59.6	117.4	166.9	-89.2	94.8	0	0	0	109.2	V12	L10-V12 PolarHBondContact O-N 3.19Å
11	R	40.4	Very low	39.8	Very low	248 Å²	248	145.2 Å²	145.2	94%	0.936	82%	0.822	S	S	*	*			trans	-73.5	101.3	164.7	-76.5	-176.5	173.4	-174.6	-1.5	108.6	P9	P9-R11 PolarHBondContact O-N 3.19Å
12	V	42.1	Very low	40	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.715	80%	0.8	S	S	*	*			trans	-72.3	123.5	163.5	-177.5	0	0	0	0	107.2	L10 F14	L10-V12 PolarHBondContact O-N 3.19Å; V12-F14 PolarHBondContact O-N 3.19Å
13	P	43.7	Very low	40.5	Very low	108 Å²	108	138.1 Å²	138.1	70%	0.701	79%	0.793	S	S	*	*			trans	-70.2	117.3	172.8	29	-29.2	0	0	0	107.5	L15	P13-L15 PolarHBondContact O-N 2.84Å
14	F	40.5	Very low	41.4	Very low	195 Å²	195	138.7 Å²	138.7	86%	0.855	78%	0.779	S	S	*	*			trans	-63.4	90.6	168.2	-120.3	-96.2	0	0	0	107.4	V12 L16	V12-F14 PolarHBondContact O-N 3.19Å; F14-L16 VanDerWaalsContact C-N 3.28Å; F14-L16 PolarHBondContact O-N 2.84Å
15	L	41.3	Very low	42.3	Very low	145 Å²	145	139 Å²	139	76%	0.759	77%	0.774	S	S	*	*			trans	-68.5	96.2	163.8	-140.2	89.7	0	0	0	105.3	P13 L17	P13-L15 PolarHBondContact O-N 2.84Å; L15-L17 PolarHBondContact O-N 2.99Å
16	L	40.5	Very low	43	Very low	144 Å²	144	139.5 Å²	139.5	75%	0.754	78%	0.778	S	S	*	*			trans	-59	95.6	164.4	-97.6	133.5	0	0	0	106.6	F14 L18	F14-L16 VanDerWaalsContact C-N 3.28Å; F14-L16 PolarHBondContact O-N 2.84Å; L16-L18 VanDerWaalsContact C-N 3.28Å; L16-L18 PolarHBondContact O-N 3.35Å
17	L	39.7	Very low	44.3	Very low	137 Å²	137	129.3 Å²	129.3	72%	0.717	75%	0.749	S	S	*	*			trans	-57	102.4	157.4	-95.9	109	0	0	0	105.8	L15 L19	L15-L17 PolarHBondContact O-N 2.99Å; L17-L19 PolarHBondContact O-N 3.07Å
18	L	41.2	Very low	46.7	Very low	165 Å²	165	127 Å²	127	86%	0.864	73%	0.728	S	S	*	*			trans	-61.7	84.2	160.4	-82.1	156	0	0	0	106.5	L16	L16-L18 VanDerWaalsContact C-N 3.28Å; L16-L18 PolarHBondContact O-N 3.35Å
19	L	34.5	Very low	49.4	Very low	140 Å²	140	124.6 Å²	124.6	73%	0.733	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-55.3	131.1	163.9	-74.5	163.6	0	0	0	106.6	L17 L21	L17-L19 PolarHBondContact O-N 3.07Å; L19-L21 PolarHBondContact O-N 3.03Å; L19-L21 VanDerWaalsContact O-N 3.1Å
20	P	38.4	Very low	52.2	Low	118 Å²	118	119.3 Å²	119.3	77%	0.766	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-56.7	123.6	174.7	23.8	-30.9	0	0	0	107.4
21	L	42.6	Very low	55	Low	162 Å²	162	116 Å²	116	85%	0.848	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-49.7	133	171.7	-79.5	159	0	0	0	107.9	L19 G23	L19-L21 PolarHBondContact O-N 3.03Å; L19-L21 VanDerWaalsContact O-N 3.1Å; L21-G23 PolarHBondContact O-N 3.39Å; L21-G23 VanDerWaalsContact O-N 3.09Å
22	P	45.1	Very low	57.8	Low	118 Å²	118	105.1 Å²	105.1	77%	0.766	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-52.9	124.1	175.8	20.6	-30.1	0	0	0	108.1	M24	P22-M24 PolarHBondContact O-N 3.03Å
23	G	50.5	Low	60.4	Low	71 Å²	71	99.5 Å²	99.5	73%	0.732	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-50.6	132.6	176.1	0	0	0	0	0	109	L21	L21-G23 PolarHBondContact O-N 3.39Å; L21-G23 VanDerWaalsContact O-N 3.09Å
24	M	55.8	Low	63.1	Low	116 Å²	116	94.6 Å²	94.6	57%	0.571	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-55.6	144.6	177.2	-60.7	-167.2	85.6	0	0	109.1	P22 A26 S28	P22-M24 PolarHBondContact O-N 3.03Å; M24-A26 PolarHBondContact O-N 3.26Å; M24-S28 WeakPolarHBondContact CB-OG 3.36Å
25	P	57	Low	65.8	Low	96 Å²	96	85.3 Å²	85.3	62%	0.623	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-51.8	135.8	-179.4	-23.2	32	0	0	0	110.8	G27 S28	P25-G27 PolarHBondContact O-N 3.45Å; P25-G27 VanDerWaalsContact O-N 3.08Å; P25-S28 PolarHBondContact O-N 2.93Å; P25-S28 PolarHBondContact O-OG 3.28Å; P25-S28 VanDerWaalsContact O-OG 3.1Å
26	A	56.8	Low	68.6	Low	114 Å²	114	78.4 Å²	78.4	94%	0.942	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	120.7	173.5	0	0	0	0	0	109.3	M24	M24-A26 PolarHBondContact O-N 3.26Å
27	G	64	Low	71.4	Confident	33 Å²	33	71.6 Å²	71.6	34%	0.34	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	6	-177.3	0	0	0	0	0	116.2	P25 L112	P25-G27 PolarHBondContact O-N 3.45Å; P25-G27 VanDerWaalsContact O-N 3.08Å; G27-L112 VanDerWaalsContact O-CD2 3.26Å; G27-L112 WeakPolarHBondContact O-CD2 3.38Å
28	S	88.8	Confident	74.2	Confident	39 Å²	39	65.1 Å²	65.1	27%	0.273	41%	0.408	S	S	.	.			trans	-82	148.1	166.4	68	0	0	0	0	112	M24 P25 D30 Y34	M24-S28 WeakPolarHBondContact CB-OG 3.36Å; P25-S28 PolarHBondContact O-N 2.93Å; P25-S28 PolarHBondContact O-OG 3.28Å; P25-S28 VanDerWaalsContact O-OG 3.1Å; S28-D30 PolarHBondContact O-N 2.79Å; S28-Y34 PolarHBondContact O-OH 2.91Å
29	W	97.1	Very high	76.9	Confident	63 Å²	63	57.3 Å²	57.3	24%	0.239	37%	0.367	C	S	.	.			trans	-64.1	126.9	174.9	178.8	-101.8	0	0	0	112.3	P31 Y34 F108 H116 P188 V189	W29-P31 WeakPolarHBondContact O-CD 3.26Å; W29-Y34 WeakPolarHBondContact CA-OH 3.33Å; W29-Y34 AromaticContact CD2-CE2 3.91Å; W29-Y34 HydrophobicContact CD2-CE2 3.91Å; W29-Y34 HydrophobicContact CE3-CD2 4.24Å; W29-Y34 AromaticContact CE3-CE2 3.42Å; W29-Y34 HydrophobicContact CE3-CE2 3.42Å; W29-Y34 VanDerWaalsContact CE3-CE2 3.42Å; W29-Y34 AromaticContact CH2-CD2 3.87Å; W29-Y34 HydrophobicContact CH2-CD2 3.87Å; W29-Y34 AromaticContact CH2-CE2 3.85Å; W29-Y34 HydrophobicContact CH2-CE2 3.85Å; W29-Y34 HydrophobicContact CZ2-CD2 4.46Å; W29-Y34 HydrophobicContact CZ2-CE2 4.28Å; W29-Y34 AromaticContact CZ3-CD2 3.72Å; W29-Y34 HydrophobicContact CZ3-CD2 3.72Å; W29-Y34 AromaticContact CZ3-CE2 3.38Å; W29-Y34 HydrophobicContact CZ3-CE2 3.38Å; W29-F108 HydrophobicContact CZ3-CE2 4.29Å; W29-H116 HydrophobicContact CD2-CB 3.87Å; W29-H116 AromaticContact CD2-CG 3.66Å; W29-H116 AromaticContact CD2-ND1 3.78Å; W29-H116 HydrophobicContact CE3-CB 3.3Å; W29-H116 AromaticContact CE3-CD2 3.78Å; W29-H116 AromaticContact CE3-CG 3.43Å; W29-H116 VanDerWaalsContact CE3-CG 3.43Å; W29-H116 AromaticContact CG-CE1 3.96Å; W29-H116 AromaticContact CG-ND1 3.9Å; W29-H116 HydrophobicContact CH2-CB 3.73Å; W29-H116 HydrophobicContact CZ2-CB 4.24Å; W29-H116 HydrophobicContact CZ3-CB 3.24Å; W29-H116 AromaticContact CZ3-CG 3.95Å; W29-P188 HydrophobicContact CH2-CB 4.07Å; W29-P188 HydrophobicContact CZ2-CB 3.68Å; W29-V189 HydrophobicContact CH2-CG2 3.89Å
30	D	97.8	Very high	79.9	Confident	11 Å²	11	51.2 Å²	51.2	6%	0.059	34%	0.336	C	S	.	.			trans	-86.9	113.1	177.3	-174.6	-3	0	0	0	110.4	S28 A32 G33 Y34 T64 R101	S28-D30 PolarHBondContact O-N 2.79Å; D30-A32 PolarHBondContact O-N 2.77Å; D30-A32 VanDerWaalsContact OD1-CB 3.26Å; D30-A32 WeakPolarHBondContact OD1-CB 3.32Å; D30-A32 PolarHBondContact OD1-N 2.85Å; D30-G33 PolarHBondContact O-N 2.86Å; D30-Y34 HydrophobicContact CB-CE1 4.49Å; D30-Y34 HydrophobicContact CB-CE2 3.94Å; D30-Y34 PolarHBondContact N-OH 3.29Å; D30-T64 PolarHBondContact OD2-OG1 2.84Å; D30-R101 IonicContact OD2-CZ 3.61Å; D30-R101 IonicContact OD2-NE 2.59Å; D30-R101 PolarHBondContact OD2-NE 2.89Å; D30-R101 IonicContact OD2-NH2 2.77Å; D30-R101 PolarHBondContact OD2-NH2 3.06Å
31	P	97.6	Very high	82.8	Confident	95 Å²	95	49.6 Å²	49.6	62%	0.617	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17	176.6	28.7	-35.5	0	0	0	113.4	W29 G33	W29-P31 WeakPolarHBondContact O-CD 3.26Å; P31-G33 PolarHBondContact O-N 3.18Å
32	A	98	Very high	85.3	Confident	19 Å²	19	43.3 Å²	43.3	16%	0.157	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.8	171.8	0	0	0	0	0	112.8	D30 N62 R63 P184	D30-A32 PolarHBondContact O-N 2.77Å; D30-A32 VanDerWaalsContact OD1-CB 3.26Å; D30-A32 WeakPolarHBondContact OD1-CB 3.32Å; D30-A32 PolarHBondContact OD1-N 2.85Å; A32-N62 WeakPolarHBondContact CB-O 3.41Å; A32-R63 VanDerWaalsContact O-CG 3.31Å; A32-R63 WeakPolarHBondContact O-CG 3.36Å; A32-P184 VanDerWaalsContact O-CB 3.31Å; A32-P184 WeakPolarHBondContact O-CB 3.24Å; A32-P184 WeakPolarHBondContact O-CG 3.2Å
33	G	98.4	Very high	87.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.01	28%	0.279	C	S	.	.			trans	83.2	179.9	171.1	0	0	0	0	0	114.5	D30 P31 R63 T64 P188	D30-G33 PolarHBondContact O-N 2.86Å; P31-G33 PolarHBondContact O-N 3.18Å; G33-R63 CarbonylContact O-C 3.54Å; G33-R63 VanDerWaalsContact O-CA 3.27Å; G33-R63 WeakPolarHBondContact O-CA 3.34Å; G33-R63 WeakPolarHBondContact O-CB 3.19Å; G33-T64 PolarHBondContact O-N 2.98Å; G33-P188 CarbonylContact C-O 3.58Å; G33-P188 WeakPolarHBondContact CA-O 3.17Å
34	Y	98.9	Very high	90.1	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.6	-170.3	-65.5	-96.2	0	0	0	112.4	S28 W29 D30 T64 I103 F108 L112 P188 L190	S28-Y34 PolarHBondContact O-OH 2.91Å; W29-Y34 WeakPolarHBondContact CA-OH 3.33Å; W29-Y34 AromaticContact CD2-CE2 3.91Å; W29-Y34 HydrophobicContact CD2-CE2 3.91Å; W29-Y34 HydrophobicContact CE3-CD2 4.24Å; W29-Y34 AromaticContact CE3-CE2 3.42Å; W29-Y34 HydrophobicContact CE3-CE2 3.42Å; W29-Y34 VanDerWaalsContact CE3-CE2 3.42Å; W29-Y34 AromaticContact CH2-CD2 3.87Å; W29-Y34 HydrophobicContact CH2-CD2 3.87Å; W29-Y34 AromaticContact CH2-CE2 3.85Å; W29-Y34 HydrophobicContact CH2-CE2 3.85Å; W29-Y34 HydrophobicContact CZ2-CD2 4.46Å; W29-Y34 HydrophobicContact CZ2-CE2 4.28Å; W29-Y34 AromaticContact CZ3-CD2 3.72Å; W29-Y34 HydrophobicContact CZ3-CD2 3.72Å; W29-Y34 AromaticContact CZ3-CE2 3.38Å; W29-Y34 HydrophobicContact CZ3-CE2 3.38Å; D30-Y34 HydrophobicContact CB-CE1 4.49Å; D30-Y34 HydrophobicContact CB-CE2 3.94Å; D30-Y34 PolarHBondContact N-OH 3.29Å; Y34-T64 CarbonylContact C-O 3.44Å; Y34-T64 VanDerWaalsContact CA-O 3.28Å; Y34-T64 WeakPolarHBondContact CA-O 3.27Å; Y34-T64 HydrophobicContact CD1-CG2 3.85Å; Y34-T64 HydrophobicContact CE1-CG2 3.7Å; Y34-I103 HydrophobicContact CE1-CG2 4.34Å; Y34-F108 AromaticContact CD1-CD2 3.6Å; Y34-F108 HydrophobicContact CD1-CD2 3.6Å; Y34-F108 AromaticContact CD1-CE2 3.58Å; Y34-F108 HydrophobicContact CD1-CE2 3.58Å; Y34-F108 AromaticContact CD2-CE2 3.82Å; Y34-F108 HydrophobicContact CD2-CE2 3.82Å; Y34-F108 AromaticContact CE1-CD2 3.77Å; Y34-F108 HydrophobicContact CE1-CD2 3.77Å; Y34-F108 AromaticContact CE1-CE2 3.93Å; Y34-F108 HydrophobicContact CE1-CE2 3.93Å; Y34-F108 HydrophobicContact CE2-CE2 4.17Å; Y34-F108 HydrophobicContact CG-CD2 4.05Å; Y34-F108 AromaticContact CG-CE2 3.52Å; Y34-F108 HydrophobicContact CG-CE2 3.52Å; Y34-F108 HydrophobicContact CG-CZ 4.47Å; Y34-L112 HydrophobicContact CE1-CD1 3.85Å; Y34-L112 VanDerWaalsContact OH-CD1 3.28Å; Y34-L112 WeakPolarHBondContact OH-CD1 3.15Å; Y34-P188 PolarHBondContact N-O 3.07Å; Y34-L190 PolarHBondContact O-N 3.09Å
35	L	98.9	Very high	92.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.9	169.6	-179.3	69	0	0	0	109.1	F57 A58 R63 T64 L65 A66 L190 L192 P196	L35-F57 HydrophobicContact CD1-CD1 4.46Å; L35-F57 HydrophobicContact CD2-CD1 3.87Å; L35-A58 HydrophobicContact CD2-CB 3.84Å; L35-R63 HydrophobicContact CB-CB 4.32Å; L35-T64 PolarHBondContact N-O 2.86Å; L35-L65 HydrophobicContact CB-CD1 4.38Å; L35-L65 HydrophobicContact CD2-CD1 4.02Å; L35-L65 HydrophobicContact CG-CD1 4.27Å; L35-A66 PolarHBondContact O-N 2.95Å; L35-L190 HydrophobicContact CD1-CB 4.17Å; L35-L192 HydrophobicContact CD1-CD1 3.85Å; L35-P196 HydrophobicContact CD1-CG 4.37Å; L35-P196 HydrophobicContact CD2-CG 3.97Å
36	L	98.9	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143	178.2	-82.9	62.5	0	0	0	109	A66 L105 F108 W117 W152 V189 L190 A191 L192	L36-A66 HydrophobicContact CD1-CB 3.55Å; L36-A66 HydrophobicContact CG-CB 3.75Å; L36-L105 HydrophobicContact CD2-CD1 3.81Å; L36-L105 HydrophobicContact CG-CD1 3.86Å; L36-F108 HydrophobicContact CD1-CE1 4.28Å; L36-F108 HydrophobicContact CD1-CE2 4.44Å; L36-F108 HydrophobicContact CD1-CZ 4.24Å; L36-F108 HydrophobicContact CD2-CD1 4.04Å; L36-F108 HydrophobicContact CD2-CE1 3.71Å; L36-F108 HydrophobicContact CD2-CZ 4.35Å; L36-W117 HydrophobicContact CD2-CH2 4.17Å; L36-W117 HydrophobicContact CD2-CZ3 4.16Å; L36-W152 HydrophobicContact CB-CH2 4.32Å; L36-V189 HydrophobicContact CD1-CG1 3.83Å; L36-V189 HydrophobicContact CD2-CG1 3.97Å; L36-V189 HydrophobicContact CG-CG1 4.41Å; L36-L190 PolarHBondContact N-O 3.2Å; L36-A191 HydrophobicContact CB-CB 4.09Å; L36-A191 WeakPolarHBondContact O-CA 3.44Å; L36-L192 PolarHBondContact O-N 3.07Å
37	Y	98.9	Very high	96.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.8	175.3	75.9	-80.6	0	0	0	111.5	P39 L65 P68 A195	Y37-P39 HydrophobicContact CE2-CB 4.09Å; Y37-L65 HydrophobicContact CD1-CD1 4.11Å; Y37-L65 HydrophobicContact CE1-CD1 3.95Å; Y37-P68 HydrophobicContact CD1-CG 4.26Å; Y37-P68 HydrophobicContact CD2-CG 4.28Å; Y37-P68 HydrophobicContact CE1-CG 3.72Å; Y37-P68 HydrophobicContact CE2-CG 3.75Å; Y37-P68 VanDerWaalsContact CZ-CD 3.45Å; Y37-P68 VanDerWaalsContact CZ-CG 3.43Å; Y37-A195 VanDerWaalsContact CD2-CA 3.44Å; Y37-A195 HydrophobicContact CD2-CB 3.65Å; Y37-A195 HydrophobicContact CE2-CB 3.77Å
38	C	98.9	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.			trans	-90.4	133.5	164.7	176.9	0	0	0	0	110.8	C40 F151 W152 G194 A195	C38-C40 HydrophobicContact CB-CB 3.88Å; C38-C40 WeakPolarHBondContact CB-SG 3.24Å; C38-C40 PolarHBondContact O-N 3.25Å; C38-C40 VanDerWaalsContact SG-CA 3.5Å; C38-C40 WeakPolarHBondContact SG-CB 3.4Å; C38-C40 PolarHBondContact SG-N 2.71Å; C38-C40 VanDerWaalsContact SG-N 3.41Å; C38-C40 CovalentContact SG-SG 2.02Å; C38-C40 PolarHBondContact SG-SG 3.33Å; C38-F151 HydrophobicContact CB-CD1 3.49Å; C38-F151 VanDerWaalsContact CB-CD1 3.49Å; C38-F151 HydrophobicContact CB-CE1 3.61Å; C38-F151 HydrophobicContact CB-CG 4.01Å; C38-F151 HydrophobicContact CB-CZ 4.21Å; C38-F151 VanDerWaalsContact SG-CD1 3.56Å; C38-F151 WeakPolarHBondContact SG-CG 3.29Å; C38-W152 HydrophobicContact CB-CZ2 4.44Å; C38-G194 CarbonylContact O-C 3.5Å; C38-G194 WeakPolarHBondContact O-CA 3.48Å; C38-A195 PolarHBondContact O-N 3.27Å
39	P	98.6	Very high	98.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.129	C	C	.	.			trans	-77	53.1	169.2	32.7	-30.1	0	0	0	110.8	Y37 M41 Q47 P68 P69 I71 F151	Y37-P39 HydrophobicContact CE2-CB 4.09Å; P39-M41 VanDerWaalsContact C-N 3.27Å; P39-M41 PolarHBondContact O-N 2.89Å; P39-M41 VanDerWaalsContact O-N 3.13Å; P39-Q47 HydrophobicContact CB-CB 4.14Å; P39-Q47 HydrophobicContact CB-CG 3.94Å; P39-P68 HydrophobicContact CB-CG 4.36Å; P39-P68 HydrophobicContact CG-CB 4.13Å; P39-P68 HydrophobicContact CG-CG 3.85Å; P39-P69 WeakPolarHBondContact CG-O 3.32Å; P39-I71 HydrophobicContact CG-CD1 4Å; P39-I71 HydrophobicContact CG-CG1 4.08Å; P39-F151 VanDerWaalsContact CD-CE2 3.48Å; P39-F151 HydrophobicContact CG-CE2 4.31Å
40	C	97.7	Very high	98.4	Very high	12 Å²	12	21.7 Å²	21.7	8%	0.081	12%	0.12	C	C	.	.			trans	-79.6	10.6	-163.3	-90.2	0	0	0	0	115.6	C38 P147 F148	C38-C40 HydrophobicContact CB-CB 3.88Å; C38-C40 WeakPolarHBondContact CB-SG 3.24Å; C38-C40 PolarHBondContact O-N 3.25Å; C38-C40 VanDerWaalsContact SG-CA 3.5Å; C38-C40 WeakPolarHBondContact SG-CB 3.4Å; C38-C40 PolarHBondContact SG-N 2.71Å; C38-C40 VanDerWaalsContact SG-N 3.41Å; C38-C40 CovalentContact SG-SG 2.02Å; C38-C40 PolarHBondContact SG-SG 3.33Å; C40-P147 HydrophobicContact CB-CG 3.92Å; C40-F148 HydrophobicContact CB-CD1 3.83Å; C40-F148 HydrophobicContact CB-CE1 3.48Å; C40-F148 VanDerWaalsContact CB-CE1 3.48Å; C40-F148 HydrophobicContact CB-CE2 4.47Å; C40-F148 HydrophobicContact CB-CG 4.46Å; C40-F148 HydrophobicContact CB-CZ 3.84Å; C40-F148 WeakPolarHBondContact SG-CD1 3.38Å
41	M	97.6	Very high	98.4	Very high	85 Å²	85	21.2 Å²	21.2	42%	0.419	12%	0.117	S	C	.	.	S	Bend	trans	-127.1	120.1	-178.4	-170.2	-175.8	88.2	0	0	111.6	P39 N46 H50 F199	P39-M41 VanDerWaalsContact C-N 3.27Å; P39-M41 PolarHBondContact O-N 2.89Å; P39-M41 VanDerWaalsContact O-N 3.13Å; M41-N46 VanDerWaalsContact O-CB 3.26Å; M41-N46 WeakPolarHBondContact O-CB 3.46Å; M41-H50 WeakPolarHBondContact CE-CE1 3.27Å; M41-H50 VanDerWaalsContact CE-NE2 3.32Å; M41-H50 WeakPolarHBondContact CE-NE2 3.49Å; M41-F199 HydrophobicContact CE-CB 3.56Å; M41-F199 HydrophobicContact CE-CD1 4.02Å; M41-F199 HydrophobicContact CE-CD2 4.49Å; M41-F199 HydrophobicContact CE-CG 3.76Å
42	G	96.5	Very high	98.5	Very high	29 Å²	29	16.7 Å²	16.7	30%	0.299	9%	0.088	S	C	.	.	S	Bend	trans	69.8	-171.4	174.4	0	0	0	0	0	113.9	Q47 Y73	G42-Q47 PolarHBondContact O-NE2 2.88Å; G42-Y73 WeakPolarHBondContact O-CE2 3.45Å
43	R	98	Very high	98.5	Very high	126 Å²	126	16 Å²	16	48%	0.475	8%	0.083	S	C	.	.	S	Bend	trans	-91.9	-171.3	180	-70.9	-178	-69.6	-169.7	-14.3	111	G45 N46 Q47 Y73 D244	R43-G45 VanDerWaalsContact C-N 3.32Å; R43-G45 PolarHBondContact O-N 3.42Å; R43-G45 VanDerWaalsContact O-N 3.09Å; R43-N46 PolarHBondContact N-OD1 3.42Å; R43-N46 WeakPolarHBondContact O-CB 3.44Å; R43-N46 PolarHBondContact O-N 3.18Å; R43-Q47 WeakPolarHBondContact O-CG 3.15Å; R43-Q47 PolarHBondContact O-N 3.48Å; R43-Y73 HydrophobicContact CG-CD2 4.02Å; R43-Y73 HydrophobicContact CG-CE2 4.45Å; R43-D244 IonicContact CZ-OD2 3.56Å; R43-D244 IonicContact NH1-OD2 3.54Å; R43-D244 IonicContact NH2-OD2 3.53Å; R43-D244 PolarHBondContact NH2-OD2 2.94Å
44	F	98.8	Very high	98.6	Very high	19 Å²	19	16 Å²	16	8%	0.083	8%	0.083	C	C	.	.	H	α-helix	trans	-41.1	-50.7	-176.1	179.9	-96	0	0	0	114.9	N46 Q47 A48 W70 F91 Q338 L341 F361	F44-N46 VanDerWaalsContact C-N 3.35Å; F44-N46 PolarHBondContact O-N 3.43Å; F44-Q47 PolarHBondContact O-N 2.93Å; F44-Q47 VanDerWaalsContact O-N 3.16Å; F44-A48 HydrophobicContact CE1-CB 4.26Å; F44-A48 HydrophobicContact CZ-CB 4.28Å; F44-A48 WeakPolarHBondContact O-CB 3.26Å; F44-A48 PolarHBondContact O-N 3.2Å; F44-W70 HydrophobicContact CD2-CD2 4.16Å; F44-W70 HydrophobicContact CD2-CE3 4.17Å; F44-W70 HydrophobicContact CE2-CD2 4.03Å; F44-W70 AromaticContact CE2-CE2 3.95Å; F44-W70 HydrophobicContact CE2-CE3 4.21Å; F44-W70 HydrophobicContact CE2-CH2 4.27Å; F44-W70 HydrophobicContact CE2-CZ2 4.07Å; F44-W70 HydrophobicContact CE2-CZ3 4.34Å; F44-F91 AromaticContact CE2-CE2 3.99Å; F44-F91 HydrophobicContact CE2-CE2 3.99Å; F44-F91 HydrophobicContact CE2-CZ 4.38Å; F44-F91 AromaticContact CZ-CE2 3.91Å; F44-F91 HydrophobicContact CZ-CE2 3.91Å; F44-F91 AromaticContact CZ-CZ 3.85Å; F44-F91 HydrophobicContact CZ-CZ 3.85Å; F44-Q338 HydrophobicContact CE2-CG 4.23Å; F44-Q338 HydrophobicContact CZ-CG 4.3Å; F44-L341 HydrophobicContact CD1-CD1 3.59Å; F44-L341 HydrophobicContact CE1-CD1 3.18Å; F44-L341 HydrophobicContact CZ-CD1 4.07Å; F44-F361 AromaticContact CE1-CD2 3.71Å; F44-F361 HydrophobicContact CE1-CD2 3.71Å; F44-F361 AromaticContact CE1-CE2 3.88Å; F44-F361 HydrophobicContact CE1-CE2 3.88Å; F44-F361 HydrophobicContact CE1-CG 4.18Å; F44-F361 HydrophobicContact CZ-CD2 4.07Å; F44-F361 AromaticContact CZ-CE2 3.77Å; F44-F361 HydrophobicContact CZ-CE2 3.77Å; F44-F361 HydrophobicContact CZ-CZ 4.37Å
45	G	98.5	Very high	98.6	Very high	4 Å²	4	15.8 Å²	15.8	4%	0.041	8%	0.082	C	C	.	.	H	α-helix	trans	-60.4	-39.9	-179.3	0	0	0	0	0	113.8	R43 D49 S357	R43-G45 VanDerWaalsContact C-N 3.32Å; R43-G45 PolarHBondContact O-N 3.42Å; R43-G45 VanDerWaalsContact O-N 3.09Å; G45-D49 PolarHBondContact O-N 3.38Å; G45-S357 VanDerWaalsContact C-OG 3.25Å
46	N	98.8	Very high	98.6	Very high	34 Å²	34	16.2 Å²	16.2	18%	0.182	9%	0.085	C	C	.	.	H	α-helix	trans	-67.4	-44.7	174.2	-60.1	101.2	0	0	0	111.1	M41 R43 F44 A48 D49 H50 F199 S357	M41-N46 VanDerWaalsContact O-CB 3.26Å; M41-N46 WeakPolarHBondContact O-CB 3.46Å; R43-N46 PolarHBondContact N-OD1 3.42Å; R43-N46 WeakPolarHBondContact O-CB 3.44Å; R43-N46 PolarHBondContact O-N 3.18Å; F44-N46 VanDerWaalsContact C-N 3.35Å; F44-N46 PolarHBondContact O-N 3.43Å; N46-A48 VanDerWaalsContact C-N 3.29Å; N46-A48 PolarHBondContact O-N 3.4Å; N46-D49 PolarHBondContact O-N 3.38Å; N46-H50 WeakPolarHBondContact O-CB 3.19Å; N46-H50 PolarHBondContact O-N 2.94Å; N46-F199 HydrophobicContact CB-CD2 4.47Å; N46-F199 HydrophobicContact CB-CE2 4.34Å; N46-F199 WeakPolarHBondContact ND2-CE1 3.37Å; N46-F199 WeakPolarHBondContact ND2-CE2 3.49Å; N46-F199 WeakPolarHBondContact ND2-CZ 3.38Å; N46-S357 PolarHBondContact N-OG 3.46Å
47	Q	98.9	Very high	98.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-37	-180	-61.7	174.7	27	0	0	111.4	P39 G42 R43 F44 H50 F51 W70 I71	P39-Q47 HydrophobicContact CB-CB 4.14Å; P39-Q47 HydrophobicContact CB-CG 3.94Å; G42-Q47 PolarHBondContact O-NE2 2.88Å; R43-Q47 WeakPolarHBondContact O-CG 3.15Å; R43-Q47 PolarHBondContact O-N 3.48Å; F44-Q47 PolarHBondContact O-N 2.93Å; F44-Q47 VanDerWaalsContact O-N 3.16Å; Q47-H50 PolarHBondContact O-N 3.05Å; Q47-F51 WeakPolarHBondContact O-CB 3.36Å; Q47-F51 PolarHBondContact O-N 3.1Å; Q47-W70 HydrophobicContact CB-CE3 3.81Å; Q47-W70 HydrophobicContact CB-CZ3 3.8Å; Q47-I71 PolarHBondContact NE2-O 2.82Å
48	A	98.9	Very high	98.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.8	-43.9	177.4	0	0	0	0	0	112.2	F44 N46 H50 F51 L52 W70 F361	F44-A48 HydrophobicContact CE1-CB 4.26Å; F44-A48 HydrophobicContact CZ-CB 4.28Å; F44-A48 WeakPolarHBondContact O-CB 3.26Å; F44-A48 PolarHBondContact O-N 3.2Å; N46-A48 VanDerWaalsContact C-N 3.29Å; N46-A48 PolarHBondContact O-N 3.4Å; A48-H50 VanDerWaalsContact C-N 3.32Å; A48-H50 PolarHBondContact O-N 3.25Å; A48-F51 WeakPolarHBondContact O-CB 3.44Å; A48-F51 PolarHBondContact O-N 2.73Å; A48-L52 WeakPolarHBondContact O-CG 3.49Å; A48-L52 PolarHBondContact O-N 3.05Å; A48-L52 VanDerWaalsContact O-N 3.11Å; A48-W70 HydrophobicContact CB-CH2 4.42Å; A48-W70 HydrophobicContact CB-CZ3 4.49Å; A48-F361 HydrophobicContact CB-CD2 3.87Å; A48-F361 HydrophobicContact CB-CE2 4.28Å
49	D	98.8	Very high	98.6	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-45.5	172.7	-87.5	34.9	0	0	0	111.4	G45 N46 F51 L52 G53 F199 V201 R364	G45-D49 PolarHBondContact O-N 3.38Å; N46-D49 PolarHBondContact O-N 3.38Å; D49-F51 VanDerWaalsContact C-N 3.34Å; D49-F51 PolarHBondContact O-N 2.85Å; D49-L52 PolarHBondContact O-N 3.34Å; D49-G53 PolarHBondContact O-N 2.86Å; D49-F199 HydrophobicContact CB-CD2 3.92Å; D49-F199 HydrophobicContact CB-CE2 4.27Å; D49-V201 HydrophobicContact CB-CB 4Å; D49-V201 PolarHBondContact OD2-N 2.67Å; D49-R364 IonicContact OD1-CZ 2.8Å; D49-R364 IonicContact OD1-NH1 2.74Å; D49-R364 PolarHBondContact OD1-NH1 3.02Å; D49-R364 IonicContact OD1-NH2 3.66Å; D49-R364 PolarHBondContact OD1-NH2 3.39Å; D49-R364 IonicContact OD2-NH1 3.94Å
50	H	98.9	Very high	98.6	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.056	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-39.1	174.8	-81	178.8	0	0	0	113.2	M41 N46 Q47 A48 G53 S54 A195 A197	M41-H50 WeakPolarHBondContact CE-CE1 3.27Å; M41-H50 VanDerWaalsContact CE-NE2 3.32Å; M41-H50 WeakPolarHBondContact CE-NE2 3.49Å; N46-H50 WeakPolarHBondContact O-CB 3.19Å; N46-H50 PolarHBondContact O-N 2.94Å; Q47-H50 PolarHBondContact O-N 3.05Å; A48-H50 VanDerWaalsContact C-N 3.32Å; A48-H50 PolarHBondContact O-N 3.25Å; H50-G53 PolarHBondContact O-N 3.47Å; H50-S54 VanDerWaalsContact O-CB 3.31Å; H50-S54 WeakPolarHBondContact O-CB 3.5Å; H50-S54 PolarHBondContact O-N 3.01Å; H50-S54 PolarHBondContact O-OG 2.71Å; H50-A195 HydrophobicContact CB-CB 3.55Å; H50-A197 HydrophobicContact CB-CB 4.46Å; H50-A197 VanDerWaalsContact O-CB 3.3Å; H50-A197 WeakPolarHBondContact O-CB 3.37Å
51	F	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-46.2	176.3	165.6	-103.1	0	0	0	111.3	Q47 A48 D49 G53 S54 L55 L65 V67 W70 Y87 L96 M212	Q47-F51 WeakPolarHBondContact O-CB 3.36Å; Q47-F51 PolarHBondContact O-N 3.1Å; A48-F51 WeakPolarHBondContact O-CB 3.44Å; A48-F51 PolarHBondContact O-N 2.73Å; D49-F51 VanDerWaalsContact C-N 3.34Å; D49-F51 PolarHBondContact O-N 2.85Å; F51-G53 VanDerWaalsContact C-N 3.35Å; F51-G53 PolarHBondContact O-N 3.01Å; F51-S54 PolarHBondContact O-N 2.74Å; F51-L55 HydrophobicContact CE1-CD2 4.44Å; F51-L55 HydrophobicContact CZ-CD2 4.22Å; F51-L55 WeakPolarHBondContact O-CB 3.34Å; F51-L55 PolarHBondContact O-N 3.16Å; F51-L65 HydrophobicContact CD2-CD2 4.48Å; F51-L65 HydrophobicContact CE2-CD2 4.05Å; F51-V67 HydrophobicContact CD2-CG2 3.74Å; F51-V67 HydrophobicContact CE2-CB 4.24Å; F51-V67 HydrophobicContact CE2-CG2 3.47Å; F51-V67 VanDerWaalsContact CE2-CG2 3.47Å; F51-V67 HydrophobicContact CZ-CG2 4.49Å; F51-W70 HydrophobicContact CB-CH2 4.16Å; F51-W70 HydrophobicContact CB-CZ3 4.45Å; F51-W70 HydrophobicContact CG-CH2 4.35Å; F51-Y87 HydrophobicContact CE1-CE2 4.02Å; F51-Y87 HydrophobicContact CE2-CE2 4.11Å; F51-Y87 AromaticContact CZ-CE2 3.79Å; F51-Y87 HydrophobicContact CZ-CE2 3.79Å; F51-L96 HydrophobicContact CE1-CD2 4.31Å; F51-L96 HydrophobicContact CZ-CD1 4.01Å; F51-L96 HydrophobicContact CZ-CD2 3.78Å; F51-M212 HydrophobicContact CD1-CE 3.98Å; F51-M212 HydrophobicContact CD1-CG 4.18Å; F51-M212 HydrophobicContact CD1-SD 3.69Å; F51-M212 HydrophobicContact CE1-CE 4.19Å; F51-M212 HydrophobicContact CE1-CG 3.67Å; F51-M212 HydrophobicContact CE1-SD 3.84Å
52	L	98.9	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.7	-44.5	178.6	-62.8	-176.2	0	0	0	112	A48 D49 L55 A56 V201 L208 Q209 M212	A48-L52 WeakPolarHBondContact O-CG 3.49Å; A48-L52 PolarHBondContact O-N 3.05Å; A48-L52 VanDerWaalsContact O-N 3.11Å; D49-L52 PolarHBondContact O-N 3.34Å; L52-L55 PolarHBondContact O-N 3.35Å; L52-A56 PolarHBondContact O-N 3.28Å; L52-A56 VanDerWaalsContact O-N 3.15Å; L52-V201 HydrophobicContact CB-CG2 3.91Å; L52-V201 HydrophobicContact CD1-CG2 4.29Å; L52-L208 HydrophobicContact CD2-CB 4.01Å; L52-L208 WeakPolarHBondContact O-CD1 3.27Å; L52-Q209 HydrophobicContact CD1-CB 4.42Å; L52-M212 HydrophobicContact CD2-CG 4.13Å; L52-M212 HydrophobicContact CD2-SD 3.72Å; L52-M212 HydrophobicContact CG-SD 4.45Å
53	G	98.8	Very high	98.8	Very high	6 Å²	6	21.3 Å²	21.3	6%	0.062	10%	0.101	C	C	.	.	H	α-helix	trans	-66.3	-38.2	175.4	0	0	0	0	0	113.2	D49 H50 F51 L55 A56 F57	D49-G53 PolarHBondContact O-N 2.86Å; H50-G53 PolarHBondContact O-N 3.47Å; F51-G53 VanDerWaalsContact C-N 3.35Å; F51-G53 PolarHBondContact O-N 3.01Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.39Å; G53-A56 WeakPolarHBondContact O-CB 3.49Å; G53-A56 PolarHBondContact O-N 2.87Å; G53-F57 WeakPolarHBondContact O-CB 3.25Å; G53-F57 PolarHBondContact O-N 2.64Å
54	S	98.9	Very high	98.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.3	-35.2	178.4	-56	0	0	0	0	111.8	H50 F51 F57 A58 P196	H50-S54 VanDerWaalsContact O-CB 3.31Å; H50-S54 WeakPolarHBondContact O-CB 3.5Å; H50-S54 PolarHBondContact O-N 3.01Å; H50-S54 PolarHBondContact O-OG 2.71Å; F51-S54 PolarHBondContact O-N 2.74Å; S54-F57 PolarHBondContact O-N 2.89Å; S54-A58 WeakPolarHBondContact O-CB 3.38Å; S54-A58 PolarHBondContact O-N 3.41Å; S54-P196 WeakPolarHBondContact OG-CD 3.38Å
55	L	98.9	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.6	-44.9	173.1	-177.8	62.9	0	0	0	111.2	F51 L52 G53 F57 A58 K59 L65 L96 Y99 V102	F51-L55 HydrophobicContact CE1-CD2 4.44Å; F51-L55 HydrophobicContact CZ-CD2 4.22Å; F51-L55 WeakPolarHBondContact O-CB 3.34Å; F51-L55 PolarHBondContact O-N 3.16Å; L52-L55 PolarHBondContact O-N 3.35Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.39Å; L55-F57 VanDerWaalsContact C-N 3.35Å; L55-A58 PolarHBondContact O-N 3.21Å; L55-K59 PolarHBondContact O-N 2.7Å; L55-L65 HydrophobicContact CB-CD2 4.32Å; L55-L65 HydrophobicContact CD1-CD2 4.03Å; L55-L96 HydrophobicContact CD2-CD2 4.18Å; L55-Y99 HydrophobicContact CD1-CD1 3.91Å; L55-Y99 HydrophobicContact CD1-CE1 4.42Å; L55-Y99 HydrophobicContact CD2-CD1 3.81Å; L55-Y99 HydrophobicContact CD2-CE1 4.3Å; L55-Y99 HydrophobicContact CD2-CG 4.47Å; L55-Y99 HydrophobicContact CG-CD1 3.52Å; L55-Y99 HydrophobicContact CG-CE1 3.74Å; L55-V102 HydrophobicContact CD1-CG2 3.7Å
56	A	98.9	Very high	98.8	Very high	8 Å²	8	14.8 Å²	14.8	7%	0.066	8%	0.076	C	C	.	.	H	α-helix	trans	-61.2	-43.4	173.6	0	0	0	0	0	112	L52 G53 K59 L60 H205 L208	L52-A56 PolarHBondContact O-N 3.28Å; L52-A56 VanDerWaalsContact O-N 3.15Å; G53-A56 WeakPolarHBondContact O-CB 3.49Å; G53-A56 PolarHBondContact O-N 2.87Å; A56-K59 WeakPolarHBondContact O-CB 3.19Å; A56-K59 PolarHBondContact O-N 3.09Å; A56-L60 WeakPolarHBondContact O-CB 3.23Å; A56-L60 PolarHBondContact O-N 3.43Å; A56-H205 WeakPolarHBondContact CB-NE2 3.31Å; A56-L208 HydrophobicContact CB-CD1 3.85Å
57	F	98.9	Very high	98.8	Very high	5 Å²	5	13.2 Å²	13.2	2%	0.022	7%	0.068	C	C	.	.	H	α-helix	trans	-67.6	-38.6	179.9	-168.7	-107.5	0	0	0	112.8	L35 G53 S54 L55 K59 L60 L61 F170 W178 P196	L35-F57 HydrophobicContact CD1-CD1 4.46Å; L35-F57 HydrophobicContact CD2-CD1 3.87Å; G53-F57 WeakPolarHBondContact O-CB 3.25Å; G53-F57 PolarHBondContact O-N 2.64Å; S54-F57 PolarHBondContact O-N 2.89Å; L55-F57 VanDerWaalsContact C-N 3.35Å; F57-K59 VanDerWaalsContact C-N 3.29Å; F57-K59 PolarHBondContact O-N 3Å; F57-L60 HydrophobicContact CD2-CD2 3.87Å; F57-L60 HydrophobicContact CE2-CD2 4.02Å; F57-L60 WeakPolarHBondContact O-CB 3.09Å; F57-L60 PolarHBondContact O-N 3.22Å; F57-L61 HydrophobicContact CD1-CD1 4.15Å; F57-L61 HydrophobicContact CE1-CD1 3.43Å; F57-L61 VanDerWaalsContact CE1-CD1 3.43Å; F57-L61 HydrophobicContact CE1-CG 4.12Å; F57-L61 HydrophobicContact CE2-CD1 4.38Å; F57-L61 HydrophobicContact CE2-CG 4.39Å; F57-L61 HydrophobicContact CZ-CD1 3.56Å; F57-L61 HydrophobicContact CZ-CD2 4.4Å; F57-L61 HydrophobicContact CZ-CG 4.05Å; F57-L61 PolarHBondContact O-N 3.01Å; F57-L61 VanDerWaalsContact O-N 3.09Å; F57-F170 HydrophobicContact CD2-CB 4.12Å; F57-F170 WeakPolarHBondContact CD2-O 3.22Å; F57-F170 HydrophobicContact CE1-CD1 4.1Å; F57-F170 HydrophobicContact CE2-CB 4.08Å; F57-F170 HydrophobicContact CE2-CD1 4.17Å; F57-F170 AromaticContact CZ-CD1 3.82Å; F57-F170 HydrophobicContact CZ-CD1 3.82Å; F57-W178 HydrophobicContact CE2-CG 4.46Å; F57-W178 AromaticContact CE2-NE1 3.93Å; F57-W178 AromaticContact CZ-CD1 3.92Å; F57-W178 AromaticContact CZ-CD2 3.78Å; F57-W178 HydrophobicContact CZ-CD2 3.78Å; F57-W178 AromaticContact CZ-CE2 3.67Å; F57-W178 HydrophobicContact CZ-CE3 4.3Å; F57-W178 AromaticContact CZ-CG 4Å; F57-W178 HydrophobicContact CZ-CG 4Å; F57-W178 HydrophobicContact CZ-CZ2 4.19Å; F57-W178 AromaticContact CZ-NE1 3.73Å; F57-P196 HydrophobicContact CB-CG 4.38Å; F57-P196 HydrophobicContact CD1-CB 3.49Å; F57-P196 VanDerWaalsContact CD1-CB 3.49Å; F57-P196 HydrophobicContact CD1-CG 3.58Å; F57-P196 HydrophobicContact CE1-CB 3.79Å; F57-P196 HydrophobicContact CE1-CG 4.21Å; F57-P196 HydrophobicContact CG-CB 4.04Å; F57-P196 HydrophobicContact CG-CG 4.24Å
58	A	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.2	-43.9	172.5	0	0	0	0	0	111.5	L35 S54 L55 L61 N62 R63 L65 H100	L35-A58 HydrophobicContact CD2-CB 3.84Å; S54-A58 WeakPolarHBondContact O-CB 3.38Å; S54-A58 PolarHBondContact O-N 3.41Å; L55-A58 PolarHBondContact O-N 3.21Å; A58-L61 PolarHBondContact O-N 2.8Å; A58-N62 PolarHBondContact O-N 3.39Å; A58-R63 PolarHBondContact O-N 3.32Å; A58-L65 HydrophobicContact CB-CB 3.74Å; A58-L65 HydrophobicContact CB-CD1 4.21Å; A58-L65 HydrophobicContact CB-CG 4.44Å; A58-H100 PolarHBondContact O-NE2 2.67Å
59	K	98.8	Very high	98.8	Very high	94 Å²	94	13.3 Å²	13.3	41%	0.409	7%	0.069	S	C	.	.	H	α-helix	trans	-64.4	-43.5	175.5	-173.3	171.4	-175.4	151.1	0	112.1	L55 A56 F57 L61 N62 Y99 H100	L55-K59 PolarHBondContact O-N 2.7Å; A56-K59 WeakPolarHBondContact O-CB 3.19Å; A56-K59 PolarHBondContact O-N 3.09Å; F57-K59 VanDerWaalsContact C-N 3.29Å; F57-K59 PolarHBondContact O-N 3Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.48Å; K59-N62 PolarHBondContact O-N 2.79Å; K59-Y99 HydrophobicContact CB-CE1 3.87Å; K59-Y99 HydrophobicContact CD-CD1 4.09Å; K59-Y99 HydrophobicContact CD-CD2 4.25Å; K59-Y99 HydrophobicContact CD-CE1 3.6Å; K59-Y99 HydrophobicContact CD-CE2 3.78Å; K59-Y99 HydrophobicContact CD-CG 4.43Å; K59-Y99 VanDerWaalsContact CD-CZ 3.45Å; K59-Y99 HydrophobicContact CG-CE1 4.37Å; K59-Y99 PolarHBondContact NZ-O 3.4Å; K59-H100 HydrophobicContact CB-CB 3.99Å; K59-H100 HydrophobicContact CD-CB 4.33Å; K59-H100 HydrophobicContact CG-CB 4.26Å; K59-H100 PolarHBondContact N-CD2 3.01Å
60	L	98.6	Very high	98.8	Very high	37 Å²	37	13.5 Å²	13.5	19%	0.194	7%	0.069	C	C	.	.	H	α-helix	trans	-55.3	-43.8	178.2	-176.9	74	0	0	0	112.2	A56 F57 N62 A172 R175	A56-L60 WeakPolarHBondContact O-CB 3.23Å; A56-L60 PolarHBondContact O-N 3.43Å; F57-L60 HydrophobicContact CD2-CD2 3.87Å; F57-L60 HydrophobicContact CE2-CD2 4.02Å; F57-L60 WeakPolarHBondContact O-CB 3.09Å; F57-L60 PolarHBondContact O-N 3.22Å; L60-N62 VanDerWaalsContact C-N 3.32Å; L60-A172 HydrophobicContact CD1-CB 4.01Å; L60-R175 HydrophobicContact CD1-CB 3.96Å; L60-R175 HydrophobicContact CD1-CG 3.98Å; L60-R175 HydrophobicContact CD2-CB 4.25Å; L60-R175 HydrophobicContact CG-CB 4.06Å; L60-R175 HydrophobicContact CG-CG 3.99Å; L60-R175 PolarHBondContact O-NE 2.96Å
61	L	98.6	Very high	98.8	Very high	14 Å²	14	13.1 Å²	13.1	7%	0.073	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.6	178.8	-58.3	-169.2	0	0	0	113.7	F57 A58 K59 R63 W178 L190	F57-L61 HydrophobicContact CD1-CD1 4.15Å; F57-L61 HydrophobicContact CE1-CD1 3.43Å; F57-L61 VanDerWaalsContact CE1-CD1 3.43Å; F57-L61 HydrophobicContact CE1-CG 4.12Å; F57-L61 HydrophobicContact CE2-CD1 4.38Å; F57-L61 HydrophobicContact CE2-CG 4.39Å; F57-L61 HydrophobicContact CZ-CD1 3.56Å; F57-L61 HydrophobicContact CZ-CD2 4.4Å; F57-L61 HydrophobicContact CZ-CG 4.05Å; F57-L61 PolarHBondContact O-N 3.01Å; F57-L61 VanDerWaalsContact O-N 3.09Å; A58-L61 PolarHBondContact O-N 2.8Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.48Å; L61-R63 VanDerWaalsContact C-N 3.26Å; L61-R63 HydrophobicContact CB-CG 4.26Å; L61-R63 PolarHBondContact O-N 2.92Å; L61-W178 HydrophobicContact CD1-CB 4.32Å; L61-W178 HydrophobicContact CD1-CE3 4.48Å; L61-W178 HydrophobicContact CD2-CB 3.48Å; L61-W178 VanDerWaalsContact CD2-CB 3.48Å; L61-W178 HydrophobicContact CD2-CG 4.16Å; L61-L190 HydrophobicContact CD1-CD1 4.23Å
62	N	98.6	Very high	98.8	Very high	82 Å²	82	15.1 Å²	15.1	44%	0.439	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	41.9	-173.7	-171.1	33	0	0	0	113.3	A32 A58 K59 L60 R101	A32-N62 WeakPolarHBondContact CB-O 3.41Å; A58-N62 PolarHBondContact O-N 3.39Å; K59-N62 PolarHBondContact O-N 2.79Å; L60-N62 VanDerWaalsContact C-N 3.32Å; N62-R101 PolarHBondContact O-NH2 3.42Å; N62-R101 PolarHBondContact OD1-NH1 3.31Å; N62-R101 PolarHBondContact OD1-NH2 3.44Å
63	R	98.8	Very high	98.7	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.015	9%	0.086	C	C	.	.			trans	-110.6	138.9	178	-74.3	171.2	177.8	-82	4.9	110.5	A32 G33 L35 A58 L61 L65 H100 F182 S183 H187	A32-R63 VanDerWaalsContact O-CG 3.31Å; A32-R63 WeakPolarHBondContact O-CG 3.36Å; G33-R63 CarbonylContact O-C 3.54Å; G33-R63 VanDerWaalsContact O-CA 3.27Å; G33-R63 WeakPolarHBondContact O-CA 3.34Å; G33-R63 WeakPolarHBondContact O-CB 3.19Å; L35-R63 HydrophobicContact CB-CB 4.32Å; A58-R63 PolarHBondContact O-N 3.32Å; L61-R63 VanDerWaalsContact C-N 3.26Å; L61-R63 HydrophobicContact CB-CG 4.26Å; L61-R63 PolarHBondContact O-N 2.92Å; R63-L65 PolarHBondContact O-N 3.31Å; R63-H100 PolarHBondContact O-CD2 3.09Å; R63-H100 PolarHBondContact O-NE2 3.36Å; R63-F182 PolarHBondContact NH2-O 2.94Å; R63-S183 PolarHBondContact NH2-O 2.82Å; R63-H187 VanDerWaalsContact CZ-O 3.27Å; R63-H187 PolarHBondContact NH1-O 3.41Å; R63-H187 PolarHBondContact NH2-O 3.29Å
64	T	98.9	Very high	98.5	Very high	12 Å²	12	18 Å²	18	7%	0.074	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	125.7	173.3	-70.3	0	0	0	0	109.6	D30 G33 Y34 L35 R101 I103	D30-T64 PolarHBondContact OD2-OG1 2.84Å; G33-T64 PolarHBondContact O-N 2.98Å; Y34-T64 CarbonylContact C-O 3.44Å; Y34-T64 VanDerWaalsContact CA-O 3.28Å; Y34-T64 WeakPolarHBondContact CA-O 3.27Å; Y34-T64 HydrophobicContact CD1-CG2 3.85Å; Y34-T64 HydrophobicContact CE1-CG2 3.7Å; L35-T64 PolarHBondContact N-O 2.86Å; T64-R101 WeakPolarHBondContact CA-O 3.46Å; T64-R101 HydrophobicContact CG2-CB 4.3Å; T64-R101 WeakPolarHBondContact OG1-CB 3.2Å; T64-R101 PolarHBondContact OG1-NE 3.17Å; T64-I103 HydrophobicContact CG2-CB 4.43Å; T64-I103 HydrophobicContact CG2-CG2 3.92Å
65	L	98.9	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.8	175.3	-179.5	66.9	0	0	0	109.4	L35 Y37 F51 L55 A58 R63 V67 R101 V102 I103	L35-L65 HydrophobicContact CB-CD1 4.38Å; L35-L65 HydrophobicContact CD2-CD1 4.02Å; L35-L65 HydrophobicContact CG-CD1 4.27Å; Y37-L65 HydrophobicContact CD1-CD1 4.11Å; Y37-L65 HydrophobicContact CE1-CD1 3.95Å; F51-L65 HydrophobicContact CD2-CD2 4.48Å; F51-L65 HydrophobicContact CE2-CD2 4.05Å; L55-L65 HydrophobicContact CB-CD2 4.32Å; L55-L65 HydrophobicContact CD1-CD2 4.03Å; A58-L65 HydrophobicContact CB-CB 3.74Å; A58-L65 HydrophobicContact CB-CD1 4.21Å; A58-L65 HydrophobicContact CB-CG 4.44Å; R63-L65 PolarHBondContact O-N 3.31Å; L65-V67 HydrophobicContact CD2-CB 4.44Å; L65-V67 PolarHBondContact O-N 3.3Å; L65-R101 PolarHBondContact N-O 3.39Å; L65-V102 HydrophobicContact CB-CG1 4.4Å; L65-V102 HydrophobicContact CB-CG2 4.18Å; L65-V102 CarbonylContact O-C 3.55Å; L65-V102 WeakPolarHBondContact O-CA 3.15Å; L65-V102 WeakPolarHBondContact O-CG1 3.33Å; L65-I103 PolarHBondContact O-N 3.22Å; L65-I103 VanDerWaalsContact O-O 3.11Å
66	A	98.9	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	94.7	162.6	0	0	0	0	0	108.1	L35 L36 P68 I103 L105 F108	L35-A66 PolarHBondContact O-N 2.95Å; L36-A66 HydrophobicContact CD1-CB 3.55Å; L36-A66 HydrophobicContact CG-CB 3.75Å; A66-P68 WeakPolarHBondContact O-CD 3.44Å; A66-I103 CarbonylContact C-O 3.53Å; A66-I103 VanDerWaalsContact CA-O 3.26Å; A66-I103 WeakPolarHBondContact CA-O 3.45Å; A66-I103 HydrophobicContact CB-CG2 4.39Å; A66-L105 HydrophobicContact CB-CB 4.39Å; A66-L105 HydrophobicContact CB-CD1 3.98Å; A66-F108 HydrophobicContact CB-CB 4.31Å; A66-F108 HydrophobicContact CB-CG 4.44Å
67	V	98.9	Very high	97.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	121.1	-177.7	62	0	0	0	0	109.5	F51 L65 Y87 L93 V102 I103 L105	F51-V67 HydrophobicContact CD2-CG2 3.74Å; F51-V67 HydrophobicContact CE2-CB 4.24Å; F51-V67 HydrophobicContact CE2-CG2 3.47Å; F51-V67 VanDerWaalsContact CE2-CG2 3.47Å; F51-V67 HydrophobicContact CZ-CG2 4.49Å; L65-V67 HydrophobicContact CD2-CB 4.44Å; L65-V67 PolarHBondContact O-N 3.3Å; V67-Y87 HydrophobicContact CG1-CD1 4.47Å; V67-Y87 HydrophobicContact CG1-CG 4.15Å; V67-Y87 HydrophobicContact CG2-CD2 3.6Å; V67-Y87 HydrophobicContact CG2-CE2 4.24Å; V67-Y87 HydrophobicContact CG2-CG 3.92Å; V67-L93 HydrophobicContact CG1-CD2 3.57Å; V67-V102 HydrophobicContact CB-CG1 3.88Å; V67-V102 HydrophobicContact CG1-CG1 3.67Å; V67-I103 PolarHBondContact N-O 2.93Å; V67-L105 PolarHBondContact O-N 3.2Å
68	P	98.9	Very high	96.8	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.019	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-76.7	161	-175.2	32	-36.8	0	0	0	112.2	Y37 P39 A66 L105 F151	Y37-P68 HydrophobicContact CD1-CG 4.26Å; Y37-P68 HydrophobicContact CD2-CG 4.28Å; Y37-P68 HydrophobicContact CE1-CG 3.72Å; Y37-P68 HydrophobicContact CE2-CG 3.75Å; Y37-P68 VanDerWaalsContact CZ-CD 3.45Å; Y37-P68 VanDerWaalsContact CZ-CG 3.43Å; P39-P68 HydrophobicContact CB-CG 4.36Å; P39-P68 HydrophobicContact CG-CB 4.13Å; P39-P68 HydrophobicContact CG-CG 3.85Å; A66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-L105 HydrophobicContact CB-CD2 4.16Å; P68-F151 HydrophobicContact CB-CE2 3.83Å; P68-F151 HydrophobicContact CB-CZ 3.63Å
69	P	98.9	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-62.1	148	164.9	27.1	-33.8	0	0	0	110.7	P39 H84 V85 F151 F155	P39-P69 WeakPolarHBondContact CG-O 3.32Å; P69-H84 HydrophobicContact CB-CB 4.09Å; P69-H84 HydrophobicContact CG-CB 4.13Å; P69-V85 CarbonylContact C-O 3.6Å; P69-V85 WeakPolarHBondContact CA-O 3.43Å; P69-V85 WeakPolarHBondContact CB-O 3.46Å; P69-F151 HydrophobicContact CG-CE2 3.99Å; P69-F155 HydrophobicContact CG-CE2 4.39Å; P69-F155 HydrophobicContact CG-CZ 4.2Å
70	W	98.9	Very high	96.5	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.023	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	144.4	168	-54.4	109.4	0	0	0	110.3	F44 Q47 A48 F51 H84 V85 Y87 Y90 F91 M212	F44-W70 HydrophobicContact CD2-CD2 4.16Å; F44-W70 HydrophobicContact CD2-CE3 4.17Å; F44-W70 HydrophobicContact CE2-CD2 4.03Å; F44-W70 AromaticContact CE2-CE2 3.95Å; F44-W70 HydrophobicContact CE2-CE3 4.21Å; F44-W70 HydrophobicContact CE2-CH2 4.27Å; F44-W70 HydrophobicContact CE2-CZ2 4.07Å; F44-W70 HydrophobicContact CE2-CZ3 4.34Å; Q47-W70 HydrophobicContact CB-CE3 3.81Å; Q47-W70 HydrophobicContact CB-CZ3 3.8Å; A48-W70 HydrophobicContact CB-CH2 4.42Å; A48-W70 HydrophobicContact CB-CZ3 4.49Å; F51-W70 HydrophobicContact CB-CH2 4.16Å; F51-W70 HydrophobicContact CB-CZ3 4.45Å; F51-W70 HydrophobicContact CG-CH2 4.35Å; W70-H84 WeakPolarHBondContact O-CA 3.33Å; W70-V85 PolarHBondContact N-O 3.06Å; W70-V85 PolarHBondContact O-N 3.15Å; W70-Y87 HydrophobicContact CH2-CD2 4.44Å; W70-Y87 AromaticContact CZ2-CD2 3.59Å; W70-Y87 HydrophobicContact CZ2-CD2 3.59Å; W70-Y87 AromaticContact CZ2-CE2 3.83Å; W70-Y87 HydrophobicContact CZ2-CE2 3.83Å; W70-Y90 AromaticContact CD1-CD2 3.54Å; W70-Y90 AromaticContact CD1-CE2 3.94Å; W70-Y90 HydrophobicContact CG-CD2 4.44Å; W70-Y90 AromaticContact NE1-CD2 3.76Å; W70-F91 AromaticContact CZ2-CD2 3.86Å; W70-F91 HydrophobicContact CZ2-CD2 3.86Å; W70-F91 AromaticContact CZ2-CE2 3.73Å; W70-F91 HydrophobicContact CZ2-CE2 3.73Å; W70-M212 HydrophobicContact CH2-CE 4Å; W70-M212 HydrophobicContact CZ2-CE 4.01Å
71	I	98.8	Very high	96.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.4	174	-59.6	170.2	0	0	0	108.3	P39 Q47 Y73 N82 P147 F151	P39-I71 HydrophobicContact CG-CD1 4Å; P39-I71 HydrophobicContact CG-CG1 4.08Å; Q47-I71 PolarHBondContact NE2-O 2.82Å; I71-Y73 HydrophobicContact CG2-CD2 4.45Å; I71-Y73 HydrophobicContact CG2-CE1 4.41Å; I71-Y73 HydrophobicContact CG2-CE2 4.08Å; I71-N82 HydrophobicContact CG2-CB 4.24Å; I71-P147 HydrophobicContact CD1-CB 3.78Å; I71-P147 HydrophobicContact CD1-CG 3.9Å; I71-P147 HydrophobicContact CG2-CB 4.08Å; I71-F151 HydrophobicContact CD1-CB 4.44Å; I71-F151 HydrophobicContact CD1-CD2 3.97Å; I71-F151 HydrophobicContact CD1-CG 4.49Å; I71-F151 HydrophobicContact CG1-CD2 4.21Å
72	E	98.4	Very high	96.2	Very high	43 Å²	43	47.9 Å²	47.9	20%	0.201	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.6	176	-68	-173.6	-174.2	0	0	110.4	Q74 L83 V85 Y90	E72-Q74 PolarHBondContact O-N 2.8Å; E72-L83 HydrophobicContact CB-CB 4.26Å; E72-L83 PolarHBondContact N-O 2.96Å; E72-L83 PolarHBondContact O-N 2.92Å; E72-V85 HydrophobicContact CG-CG2 4.12Å; E72-Y90 WeakPolarHBondContact OE1-CE2 3.24Å; E72-Y90 PolarHBondContact OE1-OH 3.41Å
73	Y	96.5	Very high	96.2	Very high	46 Å²	46	48 Å²	48	18%	0.18	25%	0.246	C	C	.	.			trans	-75.6	122.7	179.5	-64.4	-87.9	0	0	0	111.2	G42 R43 I71 H75 P147	G42-Y73 WeakPolarHBondContact O-CE2 3.45Å; R43-Y73 HydrophobicContact CG-CD2 4.02Å; R43-Y73 HydrophobicContact CG-CE2 4.45Å; I71-Y73 HydrophobicContact CG2-CD2 4.45Å; I71-Y73 HydrophobicContact CG2-CE1 4.41Å; I71-Y73 HydrophobicContact CG2-CE2 4.08Å; Y73-H75 AromaticContact CD1-CE1 3.9Å; Y73-H75 AromaticContact CD1-NE2 3.55Å; Y73-P147 HydrophobicContact CE1-CB 4.37Å; Y73-P147 WeakPolarHBondContact OH-CG 3.29Å
74	Q	94.6	Very high	96.1	Very high	21 Å²	21	50 Å²	50	10%	0.098	26%	0.255	C	S	.	.			trans	-98.5	31.7	-179.7	-58.5	-62.3	-37.3	0	0	112.9	E72 H76 K77 F80 T81 L83	E72-Q74 PolarHBondContact O-N 2.8Å; Q74-H76 PolarHBondContact O-N 2.77Å; Q74-K77 CarbonylContact O-C 3.53Å; Q74-K77 PolarHBondContact O-N 2.59Å; Q74-F80 WeakPolarHBondContact O-CA 3.39Å; Q74-T81 VanDerWaalsContact CB-O 3.29Å; Q74-T81 WeakPolarHBondContact CB-O 3.21Å; Q74-T81 VanDerWaalsContact CG-O 3.25Å; Q74-T81 WeakPolarHBondContact CG-O 3.17Å; Q74-L83 HydrophobicContact CG-CD1 4Å; Q74-L83 HydrophobicContact CG-CG 3.76Å
75	H	91.8	Very high	96.1	Very high	136 Å²	136	50.6 Å²	50.6	63%	0.63	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-19.1	-178.4	-58.2	166.8	0	0	0	114.1	Y73	Y73-H75 AromaticContact CD1-CE1 3.9Å; Y73-H75 AromaticContact CD1-NE2 3.55Å
76	H	89.6	Confident	96.1	Very high	154 Å²	154	52.2 Å²	52.2	71%	0.713	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-3.8	-179.7	65.4	-76.3	0	0	0	113.8	Q74	Q74-H76 PolarHBondContact O-N 2.77Å
77	K	88.6	Confident	96.1	Very high	80 Å²	80	52.2 Å²	52.2	35%	0.348	27%	0.27	S	S	.	.	S	Bend	trans	-137	120.7	-174.4	-170.3	171	-177.1	164.9	0	110.9	Q74 F80 E335	Q74-K77 CarbonylContact O-C 3.53Å; Q74-K77 PolarHBondContact O-N 2.59Å; K77-F80 WeakPolarHBondContact O-CA 3.27Å; K77-F80 PolarHBondContact O-N 3.02Å; K77-E335 IonicContact NZ-OE1 2.67Å; K77-E335 PolarHBondContact NZ-OE1 2.86Å; K77-E335 IonicContact NZ-OE2 2.86Å; K77-E335 PolarHBondContact NZ-OE2 3.3Å
78	P	90.6	Very high	96.1	Very high	95 Å²	95	57.2 Å²	57.2	62%	0.617	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	143.1	173.9	-22.2	30.1	0	0	0	111.7	F80	P78-F80 VanDerWaalsContact C-N 3.33Å; P78-F80 HydrophobicContact CB-CE2 4.11Å; P78-F80 HydrophobicContact CB-CZ 4.08Å; P78-F80 HydrophobicContact CG-CE1 3.99Å; P78-F80 HydrophobicContact CG-CE2 4.08Å; P78-F80 HydrophobicContact CG-CZ 3.58Å
79	P	95.5	Very high	96.1	Very high	103 Å²	103	61 Å²	61	67%	0.669	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.8	18.8	9.5	36.3	-36.7	0	0	0	114.7	T81	P79-T81 PolarHBondContact O-N 2.8Å
80	F	94.9	Very high	96.1	Very high	116 Å²	116	61.3 Å²	61.3	51%	0.509	31%	0.311	S	S	.	.			trans	67.1	10.1	176.6	-41.8	-73.1	0	0	0	116.2	Q74 K77 P78	Q74-F80 WeakPolarHBondContact O-CA 3.39Å; K77-F80 WeakPolarHBondContact O-CA 3.27Å; K77-F80 PolarHBondContact O-N 3.02Å; P78-F80 VanDerWaalsContact C-N 3.33Å; P78-F80 HydrophobicContact CB-CE2 4.11Å; P78-F80 HydrophobicContact CB-CZ 4.08Å; P78-F80 HydrophobicContact CG-CE1 3.99Å; P78-F80 HydrophobicContact CG-CE2 4.08Å; P78-F80 HydrophobicContact CG-CZ 3.58Å
81	T	95.6	Very high	96.1	Very high	84 Å²	84	61 Å²	61	52%	0.515	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-88.3	153.3	174.7	55	0	0	0	0	111.2	Q74 P79 L83	Q74-T81 VanDerWaalsContact CB-O 3.29Å; Q74-T81 WeakPolarHBondContact CB-O 3.21Å; Q74-T81 VanDerWaalsContact CG-O 3.25Å; Q74-T81 WeakPolarHBondContact CG-O 3.17Å; P79-T81 PolarHBondContact O-N 2.8Å; T81-L83 PolarHBondContact O-N 3.41Å
82	N	95.8	Very high	96.1	Very high	16 Å²	16	64.1 Å²	64.1	9%	0.086	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-60.7	137.8	176.2	-60.8	0.9	0	0	0	110.1	I71 N146 P147	I71-N82 HydrophobicContact CG2-CB 4.24Å; N82-N146 PolarHBondContact ND2-ND2 3.26Å; N82-N146 PolarHBondContact ND2-OD1 3.44Å; N82-N146 PolarHBondContact OD1-ND2 3.4Å; N82-P147 WeakPolarHBondContact ND2-CB 3.39Å
83	L	97.6	Very high	96.1	Very high	84 Å²	84	63.9 Å²	63.9	44%	0.44	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.7	163.6	-63.7	-178.6	0	0	0	109.5	E72 Q74 T81	E72-L83 HydrophobicContact CB-CB 4.26Å; E72-L83 PolarHBondContact N-O 2.96Å; E72-L83 PolarHBondContact O-N 2.92Å; Q74-L83 HydrophobicContact CG-CD1 4Å; Q74-L83 HydrophobicContact CG-CG 3.76Å; T81-L83 PolarHBondContact O-N 3.41Å
84	H	98.5	Very high	96.2	Very high	48 Å²	48	69.2 Å²	69.2	22%	0.222	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115	174	-59.1	108.5	0	0	0	108.1	P69 W70 P150 Q154	P69-H84 HydrophobicContact CB-CB 4.09Å; P69-H84 HydrophobicContact CG-CB 4.13Å; W70-H84 WeakPolarHBondContact O-CA 3.33Å; H84-P150 PolarHBondContact CE1-O 3Å; H84-Q154 PolarHBondContact CD2-NE2 3.28Å; H84-Q154 VanDerWaalsContact CD2-NE2 3.26Å; H84-Q154 VanDerWaalsContact CG-CD 3.49Å; H84-Q154 VanDerWaalsContact CG-NE2 3.26Å; H84-Q154 PolarHBondContact ND1-OE1 2.95Å
85	V	98.8	Very high	96.4	Very high	24 Å²	24	69.8 Å²	69.8	15%	0.145	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.6	-175.8	-178.6	0	0	0	0	108.8	P69 W70 E72 K89 Y90	P69-V85 CarbonylContact C-O 3.6Å; P69-V85 WeakPolarHBondContact CA-O 3.43Å; P69-V85 WeakPolarHBondContact CB-O 3.46Å; W70-V85 PolarHBondContact N-O 3.06Å; W70-V85 PolarHBondContact O-N 3.15Å; E72-V85 HydrophobicContact CG-CG2 4.12Å; V85-K89 HydrophobicContact CG1-CB 3.61Å; V85-K89 HydrophobicContact CG1-CG 3.73Å; V85-Y90 HydrophobicContact CB-CE2 4.25Å; V85-Y90 HydrophobicContact CG1-CD2 4.39Å; V85-Y90 HydrophobicContact CG1-CE1 4.49Å; V85-Y90 HydrophobicContact CG1-CE2 3.64Å
86	S	98.8	Very high	96.7	Very high	33 Å²	33	63.3 Å²	63.3	23%	0.231	33%	0.325	C	S	.	.			trans	-52.2	142.9	-179.4	-55.6	0	0	0	0	112.2	Q88 K89 E106	S86-Q88 PolarHBondContact O-N 2.85Å; S86-Q88 VanDerWaalsContact O-N 3.08Å; S86-K89 WeakPolarHBondContact O-CB 3.4Å; S86-K89 PolarHBondContact O-N 3.44Å; S86-E106 WeakPolarHBondContact CA-OE1 3.16Å; S86-E106 WeakPolarHBondContact CB-OE1 3.42Å; S86-E106 PolarHBondContact OG-OE1 3Å
87	Y	98.9	Very high	97.1	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-48	-42.6	176.1	179.3	-89.8	0	0	0	112	F51 V67 W70 K89 Y90 F91 L93 L96 M212	F51-Y87 HydrophobicContact CE1-CE2 4.02Å; F51-Y87 HydrophobicContact CE2-CE2 4.11Å; F51-Y87 AromaticContact CZ-CE2 3.79Å; F51-Y87 HydrophobicContact CZ-CE2 3.79Å; V67-Y87 HydrophobicContact CG1-CD1 4.47Å; V67-Y87 HydrophobicContact CG1-CG 4.15Å; V67-Y87 HydrophobicContact CG2-CD2 3.6Å; V67-Y87 HydrophobicContact CG2-CE2 4.24Å; V67-Y87 HydrophobicContact CG2-CG 3.92Å; W70-Y87 HydrophobicContact CH2-CD2 4.44Å; W70-Y87 AromaticContact CZ2-CD2 3.59Å; W70-Y87 HydrophobicContact CZ2-CD2 3.59Å; W70-Y87 AromaticContact CZ2-CE2 3.83Å; W70-Y87 HydrophobicContact CZ2-CE2 3.83Å; Y87-K89 PolarHBondContact O-N 3.22Å; Y87-K89 VanDerWaalsContact O-N 3.16Å; Y87-Y90 PolarHBondContact O-N 3.41Å; Y87-Y90 VanDerWaalsContact O-N 3.16Å; Y87-F91 HydrophobicContact CD1-CB 4.01Å; Y87-F91 HydrophobicContact CD2-CD2 4.31Å; Y87-F91 HydrophobicContact CE1-CB 3.36Å; Y87-F91 HydrophobicContact CE1-CG 4.41Å; Y87-F91 HydrophobicContact CE2-CB 4.05Å; Y87-F91 AromaticContact CE2-CD2 3.94Å; Y87-F91 HydrophobicContact CE2-CD2 3.94Å; Y87-F91 HydrophobicContact CE2-CG 4.27Å; Y87-F91 AromaticContact CZ-CG 3.99Å; Y87-F91 PolarHBondContact O-N 2.91Å; Y87-F91 WeakPolarHBondContact OH-CB 3.33Å; Y87-L93 HydrophobicContact CD1-CD2 3.61Å; Y87-L93 HydrophobicContact CD1-CG 4.13Å; Y87-L93 HydrophobicContact CE1-CD2 4.12Å; Y87-L93 HydrophobicContact CG-CD2 4.41Å; Y87-L96 HydrophobicContact CE1-CD1 3.75Å; Y87-L96 HydrophobicContact CE1-CG 4.48Å; Y87-M212 HydrophobicContact CE2-CE 4.31Å
88	Q	98.3	Very high	97.5	Very high	105 Å²	105	60.4 Å²	60.4	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-19.5	-177.5	67.8	-175.9	-2.3	0	0	115.5	S86 Y90 F91 L93	S86-Q88 PolarHBondContact O-N 2.85Å; S86-Q88 VanDerWaalsContact O-N 3.08Å; Q88-Y90 VanDerWaalsContact C-N 3.27Å; Q88-Y90 PolarHBondContact O-N 2.9Å; Q88-F91 WeakPolarHBondContact CA-O 3.28Å; Q88-L93 HydrophobicContact CB-CD1 4.41Å
89	K	98.8	Very high	97.9	Very high	83 Å²	83	57.7 Å²	57.7	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-40.5	175.7	-179.3	61.7	-175.4	170.8	0	110.7	V85 S86 Y87 S215 E217	V85-K89 HydrophobicContact CG1-CB 3.61Å; V85-K89 HydrophobicContact CG1-CG 3.73Å; S86-K89 WeakPolarHBondContact O-CB 3.4Å; S86-K89 PolarHBondContact O-N 3.44Å; Y87-K89 PolarHBondContact O-N 3.22Å; Y87-K89 VanDerWaalsContact O-N 3.16Å; K89-S215 PolarHBondContact O-OG 3.24Å; K89-E217 IonicContact NZ-OE1 2.92Å; K89-E217 PolarHBondContact NZ-OE1 3.27Å; K89-E217 IonicContact NZ-OE2 3.2Å; K89-E217 PolarHBondContact NZ-OE2 2.91Å
90	Y	98.9	Very high	98.1	Very high	6 Å²	6	53.5 Å²	53.5	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-104.7	-28.9	-174.8	-55.8	-42.4	0	0	0	113.5	W70 E72 V85 Y87 Q88 S215 M218 V336 Q338	W70-Y90 AromaticContact CD1-CD2 3.54Å; W70-Y90 AromaticContact CD1-CE2 3.94Å; W70-Y90 HydrophobicContact CG-CD2 4.44Å; W70-Y90 AromaticContact NE1-CD2 3.76Å; E72-Y90 WeakPolarHBondContact OE1-CE2 3.24Å; E72-Y90 PolarHBondContact OE1-OH 3.41Å; V85-Y90 HydrophobicContact CB-CE2 4.25Å; V85-Y90 HydrophobicContact CG1-CD2 4.39Å; V85-Y90 HydrophobicContact CG1-CE1 4.49Å; V85-Y90 HydrophobicContact CG1-CE2 3.64Å; Y87-Y90 PolarHBondContact O-N 3.41Å; Y87-Y90 VanDerWaalsContact O-N 3.16Å; Q88-Y90 VanDerWaalsContact C-N 3.27Å; Q88-Y90 PolarHBondContact O-N 2.9Å; Y90-S215 PolarHBondContact O-N 3.39Å; Y90-M218 HydrophobicContact CD1-CG 4.24Å; Y90-M218 HydrophobicContact CD1-SD 3.91Å; Y90-M218 HydrophobicContact CE1-SD 4.49Å; Y90-V336 HydrophobicContact CD1-CG1 4.49Å; Y90-V336 HydrophobicContact CE1-CG1 3.64Å; Y90-Q338 HydrophobicContact CD1-CB 4.24Å; Y90-Q338 HydrophobicContact CD1-CG 4.08Å; Y90-Q338 HydrophobicContact CD2-CG 3.88Å; Y90-Q338 HydrophobicContact CE1-CG 4.36Å; Y90-Q338 VanDerWaalsContact CE2-CD 3.49Å; Y90-Q338 HydrophobicContact CE2-CG 4.17Å; Y90-Q338 VanDerWaalsContact CE2-NE2 3.25Å; Y90-Q338 HydrophobicContact CG-CB 4.43Å; Y90-Q338 HydrophobicContact CG-CG 3.84Å
91	F	98.9	Very high	98.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-136.1	152.7	-171.7	-57.5	-70.8	0	0	0	112.2	F44 W70 Y87 Q88 M212 V213 W214 F361	F44-F91 AromaticContact CE2-CE2 3.99Å; F44-F91 HydrophobicContact CE2-CE2 3.99Å; F44-F91 HydrophobicContact CE2-CZ 4.38Å; F44-F91 AromaticContact CZ-CE2 3.91Å; F44-F91 HydrophobicContact CZ-CE2 3.91Å; F44-F91 AromaticContact CZ-CZ 3.85Å; F44-F91 HydrophobicContact CZ-CZ 3.85Å; W70-F91 AromaticContact CZ2-CD2 3.86Å; W70-F91 HydrophobicContact CZ2-CD2 3.86Å; W70-F91 AromaticContact CZ2-CE2 3.73Å; W70-F91 HydrophobicContact CZ2-CE2 3.73Å; Y87-F91 HydrophobicContact CD1-CB 4.01Å; Y87-F91 HydrophobicContact CD2-CD2 4.31Å; Y87-F91 HydrophobicContact CE1-CB 3.36Å; Y87-F91 HydrophobicContact CE1-CG 4.41Å; Y87-F91 HydrophobicContact CE2-CB 4.05Å; Y87-F91 AromaticContact CE2-CD2 3.94Å; Y87-F91 HydrophobicContact CE2-CD2 3.94Å; Y87-F91 HydrophobicContact CE2-CG 4.27Å; Y87-F91 AromaticContact CZ-CG 3.99Å; Y87-F91 PolarHBondContact O-N 2.91Å; Y87-F91 WeakPolarHBondContact OH-CB 3.33Å; Q88-F91 WeakPolarHBondContact CA-O 3.28Å; F91-M212 HydrophobicContact CD1-CB 4.22Å; F91-M212 HydrophobicContact CD1-CE 4.43Å; F91-M212 HydrophobicContact CD2-CE 3.94Å; F91-M212 HydrophobicContact CE1-CB 4.42Å; F91-M212 HydrophobicContact CE1-CE 4.18Å; F91-M212 HydrophobicContact CE2-CE 3.66Å; F91-M212 HydrophobicContact CG-CE 4.32Å; F91-M212 HydrophobicContact CZ-CE 3.81Å; F91-V213 CarbonylContact C-O 3.1Å; F91-V213 WeakPolarHBondContact CA-O 3.28Å; F91-W214 HydrophobicContact CD1-CD2 4.38Å; F91-W214 AromaticContact CD1-CE3 3.95Å; F91-W214 HydrophobicContact CD1-CE3 3.95Å; F91-W214 HydrophobicContact CD1-CZ3 4.29Å; F91-W214 AromaticContact CE1-CD2 3.85Å; F91-W214 HydrophobicContact CE1-CD2 3.85Å; F91-W214 AromaticContact CE1-CE3 3.38Å; F91-W214 HydrophobicContact CE1-CE3 3.38Å; F91-W214 AromaticContact CE1-CH2 3.85Å; F91-W214 HydrophobicContact CE1-CH2 3.85Å; F91-W214 HydrophobicContact CE1-CZ2 4.28Å; F91-W214 AromaticContact CE1-CZ3 3.36Å; F91-W214 HydrophobicContact CE1-CZ3 3.36Å; F91-W214 HydrophobicContact CZ-CE3 4Å; F91-W214 AromaticContact CZ-CH2 3.88Å; F91-W214 HydrophobicContact CZ-CH2 3.88Å; F91-W214 AromaticContact CZ-CZ3 3.49Å; F91-W214 HydrophobicContact CZ-CZ3 3.49Å; F91-W214 VanDerWaalsContact CZ-CZ3 3.49Å; F91-F361 HydrophobicContact CE1-CE2 4.4Å; F91-F361 AromaticContact CE1-CZ 3.74Å; F91-F361 HydrophobicContact CE1-CZ 3.74Å; F91-F361 AromaticContact CZ-CE2 3.92Å; F91-F361 HydrophobicContact CZ-CE2 3.92Å; F91-F361 AromaticContact CZ-CZ 3.59Å; F91-F361 HydrophobicContact CZ-CZ 3.59Å
92	K	98.9	Very high	98.4	Very high	69 Å²	69	48.1 Å²	48.1	30%	0.3	24%	0.244	S	C	.	.			trans	-79.6	135.7	176.2	-60.2	-177	-179.7	-172.3	0	110.5	P95 V213 W214 D216	K92-P95 VanDerWaalsContact CB-CD 3.48Å; K92-P95 HydrophobicContact CB-CG 3.9Å; K92-V213 HydrophobicContact CD-CG1 4.11Å; K92-V213 PolarHBondContact N-O 3.06Å; K92-W214 WeakPolarHBondContact CE-O 3.26Å; K92-D216 WeakPolarHBondContact CE-OD1 3.23Å; K92-D216 IonicContact NZ-OD1 3.66Å; K92-D216 PolarHBondContact NZ-OD1 3.46Å; K92-D216 IonicContact NZ-OD2 2.74Å
93	L	98.4	Very high	98.5	Very high	37 Å²	37	48.5 Å²	48.5	19%	0.194	25%	0.246	C	C	.	.	S	Bend	trans	-74.9	-38	175.4	-77.3	170.4	0	0	0	112.9	V67 Y87 Q88 L96 V102	V67-L93 HydrophobicContact CG1-CD2 3.57Å; Y87-L93 HydrophobicContact CD1-CD2 3.61Å; Y87-L93 HydrophobicContact CD1-CG 4.13Å; Y87-L93 HydrophobicContact CE1-CD2 4.12Å; Y87-L93 HydrophobicContact CG-CD2 4.41Å; Q88-L93 HydrophobicContact CB-CD1 4.41Å; L93-L96 HydrophobicContact CD2-CD1 4.26Å; L93-L96 VanDerWaalsContact O-CB 3.31Å; L93-L96 WeakPolarHBondContact O-CB 3.22Å; L93-L96 PolarHBondContact O-N 2.82Å; L93-L96 VanDerWaalsContact O-N 3.15Å; L93-V102 HydrophobicContact CD2-CG1 4.49Å
94	E	98.2	Very high	98.6	Very high	159 Å²	159	44.6 Å²	44.6	74%	0.743	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-57.4	-44.2	-174.7	177.5	-165.9	-163.8	0	0	113.4	L96 Q97	E94-L96 PolarHBondContact O-N 2.96Å; E94-L96 VanDerWaalsContact O-N 3.09Å; E94-Q97 VanDerWaalsContact O-CB 3.3Å; E94-Q97 WeakPolarHBondContact O-CB 3.32Å; E94-Q97 VanDerWaalsContact O-CG 3.29Å; E94-Q97 WeakPolarHBondContact O-CG 3.31Å; E94-Q97 PolarHBondContact O-N 2.74Å
95	P	98.7	Very high	98.6	Very high	33 Å²	33	42.3 Å²	42.3	21%	0.214	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-61	-22.1	179	-29.1	40.6	0	0	0	114.8	K92 Q97 A98 Y211 V213	K92-P95 VanDerWaalsContact CB-CD 3.48Å; K92-P95 HydrophobicContact CB-CG 3.9Å; P95-Q97 PolarHBondContact O-N 3.2Å; P95-A98 PolarHBondContact O-N 3.47Å; P95-Y211 WeakPolarHBondContact O-CD1 3.37Å; P95-V213 HydrophobicContact CB-CB 4.15Å; P95-V213 HydrophobicContact CB-CG2 3.54Å; P95-V213 HydrophobicContact CG-CB 3.87Å; P95-V213 HydrophobicContact CG-CG1 4.44Å; P95-V213 HydrophobicContact CG-CG2 3.72Å
96	L	98.6	Very high	98.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-65.7	-29.7	174.8	-60.3	176.7	0	0	0	112.2	F51 L55 Y87 L93 E94 A98 Y99 H100 V102 Y211	F51-L96 HydrophobicContact CE1-CD2 4.31Å; F51-L96 HydrophobicContact CZ-CD1 4.01Å; F51-L96 HydrophobicContact CZ-CD2 3.78Å; L55-L96 HydrophobicContact CD2-CD2 4.18Å; Y87-L96 HydrophobicContact CE1-CD1 3.75Å; Y87-L96 HydrophobicContact CE1-CG 4.48Å; L93-L96 HydrophobicContact CD2-CD1 4.26Å; L93-L96 VanDerWaalsContact O-CB 3.31Å; L93-L96 WeakPolarHBondContact O-CB 3.22Å; L93-L96 PolarHBondContact O-N 2.82Å; L93-L96 VanDerWaalsContact O-N 3.15Å; E94-L96 PolarHBondContact O-N 2.96Å; E94-L96 VanDerWaalsContact O-N 3.09Å; L96-A98 PolarHBondContact O-N 3.37Å; L96-Y99 WeakPolarHBondContact O-CB 3.15Å; L96-Y99 PolarHBondContact O-N 3.1Å; L96-H100 CarbonylContact C-O 3.58Å; L96-H100 PolarHBondContact O-N 3.01Å; L96-H100 VanDerWaalsContact O-N 3.07Å; L96-V102 HydrophobicContact CB-CB 4.14Å; L96-V102 HydrophobicContact CB-CG2 3.82Å; L96-V102 HydrophobicContact CD1-CB 4.18Å; L96-V102 HydrophobicContact CD1-CG1 3.82Å; L96-V102 HydrophobicContact CD1-CG2 4.2Å; L96-Y211 WeakPolarHBondContact CD2-O 3.27Å
97	Q	97.7	Very high	98.6	Very high	90 Å²	90	43.2 Å²	43.2	42%	0.421	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62.7	-26.4	-178.8	-53.8	-53.5	-43.4	0	0	112.4	E94 P95 Y99 H100 V102	E94-Q97 VanDerWaalsContact O-CB 3.3Å; E94-Q97 WeakPolarHBondContact O-CB 3.32Å; E94-Q97 VanDerWaalsContact O-CG 3.29Å; E94-Q97 WeakPolarHBondContact O-CG 3.31Å; E94-Q97 PolarHBondContact O-N 2.74Å; P95-Q97 PolarHBondContact O-N 3.2Å; Q97-Y99 PolarHBondContact O-N 2.77Å; Q97-H100 WeakPolarHBondContact CA-O 3.45Å; Q97-V102 PolarHBondContact NE2-O 3.03Å
98	A	98.3	Very high	98.6	Very high	82 Å²	82	43.1 Å²	43.1	68%	0.678	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-65.3	-23	174.1	0	0	0	0	0	112.6	P95 L96 Y211	P95-A98 PolarHBondContact O-N 3.47Å; L96-A98 PolarHBondContact O-N 3.37Å; A98-Y211 HydrophobicContact CB-CD1 4.31Å; A98-Y211 HydrophobicContact CB-CE1 4Å
99	Y	98.6	Very high	98.6	Very high	39 Å²	39	39.1 Å²	39.1	15%	0.153	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-54.7	173.8	-175.2	-108.4	0	0	0	112.4	L55 K59 L96 Q97 L208 Y211	L55-Y99 HydrophobicContact CD1-CD1 3.91Å; L55-Y99 HydrophobicContact CD1-CE1 4.42Å; L55-Y99 HydrophobicContact CD2-CD1 3.81Å; L55-Y99 HydrophobicContact CD2-CE1 4.3Å; L55-Y99 HydrophobicContact CD2-CG 4.47Å; L55-Y99 HydrophobicContact CG-CD1 3.52Å; L55-Y99 HydrophobicContact CG-CE1 3.74Å; K59-Y99 HydrophobicContact CB-CE1 3.87Å; K59-Y99 HydrophobicContact CD-CD1 4.09Å; K59-Y99 HydrophobicContact CD-CD2 4.25Å; K59-Y99 HydrophobicContact CD-CE1 3.6Å; K59-Y99 HydrophobicContact CD-CE2 3.78Å; K59-Y99 HydrophobicContact CD-CG 4.43Å; K59-Y99 VanDerWaalsContact CD-CZ 3.45Å; K59-Y99 HydrophobicContact CG-CE1 4.37Å; K59-Y99 PolarHBondContact NZ-O 3.4Å; L96-Y99 WeakPolarHBondContact O-CB 3.15Å; L96-Y99 PolarHBondContact O-N 3.1Å; Q97-Y99 PolarHBondContact O-N 2.77Å; Y99-L208 HydrophobicContact CD2-CD2 3.78Å; Y99-L208 HydrophobicContact CE1-CD1 4.31Å; Y99-L208 HydrophobicContact CE1-CD2 4.29Å; Y99-L208 HydrophobicContact CE2-CD2 3.27Å; Y99-L208 HydrophobicContact CG-CD2 4.44Å; Y99-Y211 HydrophobicContact CD2-CD2 4.14Å; Y99-Y211 AromaticContact CD2-CE2 3.37Å; Y99-Y211 HydrophobicContact CD2-CE2 3.37Å; Y99-Y211 AromaticContact CD2-CZ 3.71Å; Y99-Y211 HydrophobicContact CE2-CE2 4.27Å; Y99-Y211 HydrophobicContact CG-CD2 4.03Å; Y99-Y211 AromaticContact CG-CE2 3.69Å; Y99-Y211 HydrophobicContact CG-CE2 3.69Å
100	H	98.7	Very high	98.6	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.065	21%	0.21	C	C	.	.	S	Bend	trans	-162.3	165.1	-174.8	-168.3	52	0	0	0	110.9	A58 K59 R63 L96 Q97 V102	A58-H100 PolarHBondContact O-NE2 2.67Å; K59-H100 HydrophobicContact CB-CB 3.99Å; K59-H100 HydrophobicContact CD-CB 4.33Å; K59-H100 HydrophobicContact CG-CB 4.26Å; K59-H100 PolarHBondContact N-CD2 3.01Å; R63-H100 PolarHBondContact O-CD2 3.09Å; R63-H100 PolarHBondContact O-NE2 3.36Å; L96-H100 CarbonylContact C-O 3.58Å; L96-H100 PolarHBondContact O-N 3.01Å; L96-H100 VanDerWaalsContact O-N 3.07Å; Q97-H100 WeakPolarHBondContact CA-O 3.45Å; H100-V102 PolarHBondContact O-N 3.39Å
101	R	98.6	Very high	98.5	Very high	77 Å²	77	47 Å²	47	29%	0.291	23%	0.233	S	C	.	.			trans	-67.2	124.1	179.1	-59.5	-177.2	-56.8	-72.5	1	110.8	D30 N62 T64 L65	D30-R101 IonicContact OD2-CZ 3.61Å; D30-R101 IonicContact OD2-NE 2.59Å; D30-R101 PolarHBondContact OD2-NE 2.89Å; D30-R101 IonicContact OD2-NH2 2.77Å; D30-R101 PolarHBondContact OD2-NH2 3.06Å; N62-R101 PolarHBondContact O-NH2 3.42Å; N62-R101 PolarHBondContact OD1-NH1 3.31Å; N62-R101 PolarHBondContact OD1-NH2 3.44Å; T64-R101 WeakPolarHBondContact CA-O 3.46Å; T64-R101 HydrophobicContact CG2-CB 4.3Å; T64-R101 WeakPolarHBondContact OG1-CB 3.2Å; T64-R101 PolarHBondContact OG1-NE 3.17Å; L65-R101 PolarHBondContact N-O 3.39Å
102	V	98.8	Very high	98.5	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.3	178.3	-174.6	0	0	0	0	110.7	L55 L65 V67 L93 L96 Q97 H100	L55-V102 HydrophobicContact CD1-CG2 3.7Å; L65-V102 HydrophobicContact CB-CG1 4.4Å; L65-V102 HydrophobicContact CB-CG2 4.18Å; L65-V102 CarbonylContact O-C 3.55Å; L65-V102 WeakPolarHBondContact O-CA 3.15Å; L65-V102 WeakPolarHBondContact O-CG1 3.33Å; V67-V102 HydrophobicContact CB-CG1 3.88Å; V67-V102 HydrophobicContact CG1-CG1 3.67Å; L93-V102 HydrophobicContact CD2-CG1 4.49Å; L96-V102 HydrophobicContact CB-CB 4.14Å; L96-V102 HydrophobicContact CB-CG2 3.82Å; L96-V102 HydrophobicContact CD1-CB 4.18Å; L96-V102 HydrophobicContact CD1-CG1 3.82Å; L96-V102 HydrophobicContact CD1-CG2 4.2Å; Q97-V102 PolarHBondContact NE2-O 3.03Å; H100-V102 PolarHBondContact O-N 3.39Å
103	I	98.5	Very high	98.5	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.118	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.6	167	-169.5	169.4	0	0	0	108	Y34 T64 L65 A66 V67 D107 F108 L112	Y34-I103 HydrophobicContact CE1-CG2 4.34Å; T64-I103 HydrophobicContact CG2-CB 4.43Å; T64-I103 HydrophobicContact CG2-CG2 3.92Å; L65-I103 PolarHBondContact O-N 3.22Å; L65-I103 VanDerWaalsContact O-O 3.11Å; A66-I103 CarbonylContact C-O 3.53Å; A66-I103 VanDerWaalsContact CA-O 3.26Å; A66-I103 WeakPolarHBondContact CA-O 3.45Å; A66-I103 HydrophobicContact CB-CG2 4.39Å; V67-I103 PolarHBondContact N-O 2.93Å; I103-D107 HydrophobicContact CD1-CB 3.84Å; I103-D107 HydrophobicContact CG1-CB 3.7Å; I103-F108 HydrophobicContact CG2-CB 4.2Å; I103-L112 HydrophobicContact CD1-CD1 4.08Å
104	S	98.8	Very high	98.4	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	147.3	169.1	58.9	0	0	0	0	109.9	E106 D107 F108	S104-E106 WeakPolarHBondContact CB-OE2 3.47Å; S104-E106 PolarHBondContact O-N 2.99Å; S104-D107 PolarHBondContact O-N 3.38Å; S104-D107 WeakPolarHBondContact OG-CB 3.43Å; S104-D107 PolarHBondContact OG-N 3.49Å; S104-D107 PolarHBondContact OG-OD1 3.4Å; S104-F108 PolarHBondContact O-N 3.49Å
105	L	98.9	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-34.1	173.3	179.9	58.8	0	0	0	110.7	L36 A66 V67 P68 F108 M109 F151 F155	L36-L105 HydrophobicContact CD2-CD1 3.81Å; L36-L105 HydrophobicContact CG-CD1 3.86Å; A66-L105 HydrophobicContact CB-CB 4.39Å; A66-L105 HydrophobicContact CB-CD1 3.98Å; V67-L105 PolarHBondContact O-N 3.2Å; P68-L105 HydrophobicContact CB-CD2 4.16Å; L105-F108 HydrophobicContact CD1-CD1 4.27Å; L105-F108 PolarHBondContact O-N 3.31Å; L105-M109 HydrophobicContact CD1-CG 4.02Å; L105-M109 HydrophobicContact CD1-SD 4.42Å; L105-M109 HydrophobicContact CG-CG 4.26Å; L105-M109 WeakPolarHBondContact O-CB 3.36Å; L105-M109 VanDerWaalsContact O-CG 3.24Å; L105-M109 WeakPolarHBondContact O-CG 3.27Å; L105-M109 PolarHBondContact O-N 3.07Å; L105-F151 HydrophobicContact CD2-CE1 4.1Å; L105-F151 HydrophobicContact CD2-CE2 4.49Å; L105-F151 HydrophobicContact CD2-CZ 3.56Å; L105-F155 HydrophobicContact CD2-CD2 4.21Å; L105-F155 HydrophobicContact CD2-CE2 3.6Å; L105-F155 HydrophobicContact CD2-CZ 4.18Å; L105-F155 HydrophobicContact CG-CD2 4.49Å; L105-F155 HydrophobicContact CG-CE2 3.93Å; L105-F155 HydrophobicContact CG-CZ 4.09Å
106	E	98.8	Very high	98.4	Very high	35 Å²	35	45.6 Å²	45.6	16%	0.164	24%	0.239	C	C	.	.	H	α-helix	trans	-56.7	-53.5	172.9	-62.1	90.2	149.5	0	0	111.4	S86 S104 F108 M109 E110 F155	S86-E106 WeakPolarHBondContact CA-OE1 3.16Å; S86-E106 WeakPolarHBondContact CB-OE1 3.42Å; S86-E106 PolarHBondContact OG-OE1 3Å; S104-E106 WeakPolarHBondContact CB-OE2 3.47Å; S104-E106 PolarHBondContact O-N 2.99Å; E106-F108 VanDerWaalsContact C-N 3.32Å; E106-F108 PolarHBondContact O-N 3.4Å; E106-M109 PolarHBondContact O-N 2.64Å; E106-E110 WeakPolarHBondContact O-CB 3.31Å; E106-E110 PolarHBondContact O-N 2.99Å; E106-F155 HydrophobicContact CG-CE1 4Å; E106-F155 HydrophobicContact CG-CZ 4.12Å
107	D	98.4	Very high	98.4	Very high	41 Å²	41	45.8 Å²	45.8	22%	0.219	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-36.5	178.7	-80	34.5	0	0	0	111.6	I103 S104 K111	I103-D107 HydrophobicContact CD1-CB 3.84Å; I103-D107 HydrophobicContact CG1-CB 3.7Å; S104-D107 PolarHBondContact O-N 3.38Å; S104-D107 WeakPolarHBondContact OG-CB 3.43Å; S104-D107 PolarHBondContact OG-N 3.49Å; S104-D107 PolarHBondContact OG-OD1 3.4Å; D107-K111 HydrophobicContact CB-CD 4.33Å; D107-K111 VanDerWaalsContact O-CB 3.26Å; D107-K111 WeakPolarHBondContact O-CB 3.31Å; D107-K111 PolarHBondContact O-N 2.88Å; D107-K111 IonicContact OD1-NZ 3.57Å; D107-K111 IonicContact OD2-NZ 3.84Å; D107-K111 PolarHBondContact OD2-NZ 3.41Å
108	F	98.7	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-60.1	-48.1	173.5	176.7	-87.8	0	0	0	111	W29 Y34 L36 A66 I103 S104 L105 E106 L112 A113 W117 V189	W29-F108 HydrophobicContact CZ3-CE2 4.29Å; Y34-F108 AromaticContact CD1-CD2 3.6Å; Y34-F108 HydrophobicContact CD1-CD2 3.6Å; Y34-F108 AromaticContact CD1-CE2 3.58Å; Y34-F108 HydrophobicContact CD1-CE2 3.58Å; Y34-F108 AromaticContact CD2-CE2 3.82Å; Y34-F108 HydrophobicContact CD2-CE2 3.82Å; Y34-F108 AromaticContact CE1-CD2 3.77Å; Y34-F108 HydrophobicContact CE1-CD2 3.77Å; Y34-F108 AromaticContact CE1-CE2 3.93Å; Y34-F108 HydrophobicContact CE1-CE2 3.93Å; Y34-F108 HydrophobicContact CE2-CE2 4.17Å; Y34-F108 HydrophobicContact CG-CD2 4.05Å; Y34-F108 AromaticContact CG-CE2 3.52Å; Y34-F108 HydrophobicContact CG-CE2 3.52Å; Y34-F108 HydrophobicContact CG-CZ 4.47Å; L36-F108 HydrophobicContact CD1-CE1 4.28Å; L36-F108 HydrophobicContact CD1-CE2 4.44Å; L36-F108 HydrophobicContact CD1-CZ 4.24Å; L36-F108 HydrophobicContact CD2-CD1 4.04Å; L36-F108 HydrophobicContact CD2-CE1 3.71Å; L36-F108 HydrophobicContact CD2-CZ 4.35Å; A66-F108 HydrophobicContact CB-CB 4.31Å; A66-F108 HydrophobicContact CB-CG 4.44Å; I103-F108 HydrophobicContact CG2-CB 4.2Å; S104-F108 PolarHBondContact O-N 3.49Å; L105-F108 HydrophobicContact CD1-CD1 4.27Å; L105-F108 PolarHBondContact O-N 3.31Å; E106-F108 VanDerWaalsContact C-N 3.32Å; E106-F108 PolarHBondContact O-N 3.4Å; F108-L112 HydrophobicContact CD2-CB 4.16Å; F108-L112 HydrophobicContact CD2-CD1 3.75Å; F108-L112 HydrophobicContact CE2-CB 4.34Å; F108-L112 HydrophobicContact CE2-CD1 4.31Å; F108-L112 WeakPolarHBondContact O-CA 3.34Å; F108-L112 WeakPolarHBondContact O-CB 3.4Å; F108-L112 PolarHBondContact O-N 3.34Å; F108-A113 HydrophobicContact CD1-CB 4.42Å; F108-A113 HydrophobicContact CE1-CB 4.14Å; F108-A113 PolarHBondContact O-N 2.76Å; F108-W117 HydrophobicContact CE1-CB 4.48Å; F108-W117 HydrophobicContact CE1-CD2 4.29Å; F108-W117 AromaticContact CE1-CE3 3.86Å; F108-W117 HydrophobicContact CE1-CE3 3.86Å; F108-W117 HydrophobicContact CE1-CZ3 4.49Å; F108-W117 HydrophobicContact CZ-CB 4.25Å; F108-W117 HydrophobicContact CZ-CG 4.48Å; F108-V189 HydrophobicContact CZ-CG1 4.22Å; F108-V189 HydrophobicContact CZ-CG2 4Å
109	M	98.6	Very high	98.4	Very high	20 Å²	20	42 Å²	42	10%	0.099	22%	0.216	C	C	.	.	I	π-helix	trans	-68.6	-35.4	-178.3	-71	-52.7	-53.6	0	0	112.7	L105 E106 A113 P114 W117 F155 V157	L105-M109 HydrophobicContact CD1-CG 4.02Å; L105-M109 HydrophobicContact CD1-SD 4.42Å; L105-M109 HydrophobicContact CG-CG 4.26Å; L105-M109 WeakPolarHBondContact O-CB 3.36Å; L105-M109 VanDerWaalsContact O-CG 3.24Å; L105-M109 WeakPolarHBondContact O-CG 3.27Å; L105-M109 PolarHBondContact O-N 3.07Å; E106-M109 PolarHBondContact O-N 2.64Å; M109-A113 HydrophobicContact CE-CB 3.89Å; M109-A113 HydrophobicContact SD-CB 4.02Å; M109-P114 WeakPolarHBondContact O-CD 3.47Å; M109-W117 HydrophobicContact CE-CE3 4.32Å; M109-W117 HydrophobicContact CE-CZ3 4.12Å; M109-W117 HydrophobicContact SD-CE3 3.99Å; M109-W117 HydrophobicContact SD-CZ3 3.72Å; M109-F155 HydrophobicContact CB-CD1 3.92Å; M109-F155 HydrophobicContact CB-CE1 4.48Å; M109-F155 HydrophobicContact CB-CG 4.4Å; M109-F155 HydrophobicContact CE-CB 4.1Å; M109-F155 HydrophobicContact CG-CB 4.03Å; M109-F155 HydrophobicContact CG-CD1 3.79Å; M109-F155 HydrophobicContact CG-CD2 4.43Å; M109-F155 HydrophobicContact CG-CE1 4.36Å; M109-F155 HydrophobicContact CG-CG 3.84Å; M109-V157 HydrophobicContact CE-CG2 3.4Å; M109-V157 VanDerWaalsContact CE-CG2 3.4Å; M109-V157 HydrophobicContact SD-CG2 4.11Å
110	E	98.2	Very high	98.4	Very high	140 Å²	140	45.8 Å²	45.8	65%	0.654	24%	0.235	S	C	*	.	I	π-helix	trans	-77.8	-48.3	179.5	-175.8	-176.9	-169.3	0	0	112.2	E106	E106-E110 WeakPolarHBondContact O-CB 3.31Å; E106-E110 PolarHBondContact O-N 2.99Å
111	K	97.6	Very high	98.4	Very high	114 Å²	114	51.1 Å²	51.1	50%	0.496	26%	0.258	S	S	.	.	I	π-helix	trans	-98.6	-30.2	-165.5	-57.8	172.9	-175.5	166.8	0	113.6	D107	D107-K111 HydrophobicContact CB-CD 4.33Å; D107-K111 VanDerWaalsContact O-CB 3.26Å; D107-K111 WeakPolarHBondContact O-CB 3.31Å; D107-K111 PolarHBondContact O-N 2.88Å; D107-K111 IonicContact OD1-NZ 3.57Å; D107-K111 IonicContact OD2-NZ 3.84Å; D107-K111 PolarHBondContact OD2-NZ 3.41Å
112	L	98.2	Very high	98.4	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.249	C	C	.	.	I	π-helix	trans	-110	-45.1	-171.7	-61.8	176.1	0	0	0	112.8	G27 Y34 I103 F108 P114 T115 H116	G27-L112 VanDerWaalsContact O-CD2 3.26Å; G27-L112 WeakPolarHBondContact O-CD2 3.38Å; Y34-L112 HydrophobicContact CE1-CD1 3.85Å; Y34-L112 VanDerWaalsContact OH-CD1 3.28Å; Y34-L112 WeakPolarHBondContact OH-CD1 3.15Å; I103-L112 HydrophobicContact CD1-CD1 4.08Å; F108-L112 HydrophobicContact CD2-CB 4.16Å; F108-L112 HydrophobicContact CD2-CD1 3.75Å; F108-L112 HydrophobicContact CE2-CB 4.34Å; F108-L112 HydrophobicContact CE2-CD1 4.31Å; F108-L112 WeakPolarHBondContact O-CA 3.34Å; F108-L112 WeakPolarHBondContact O-CB 3.4Å; F108-L112 PolarHBondContact O-N 3.34Å; L112-P114 VanDerWaalsContact C-CD 3.42Å; L112-T115 PolarHBondContact O-N 2.76Å; L112-H116 PolarHBondContact O-N 3.04Å
113	A	98.4	Very high	98.4	Very high	1 Å²	1	49 Å²	49	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-58.9	-38.1	-173.4	0	0	0	0	0	114.6	F108 M109 T115 W117	F108-A113 HydrophobicContact CD1-CB 4.42Å; F108-A113 HydrophobicContact CE1-CB 4.14Å; F108-A113 PolarHBondContact O-N 2.76Å; M109-A113 HydrophobicContact CE-CB 3.89Å; M109-A113 HydrophobicContact SD-CB 4.02Å; A113-T115 PolarHBondContact O-N 2.91Å; A113-W117 HydrophobicContact CB-CB 4.18Å; A113-W117 HydrophobicContact CB-CE3 4.24Å; A113-W117 CarbonylContact O-C 3.59Å; A113-W117 WeakPolarHBondContact O-CA 3.44Å; A113-W117 PolarHBondContact O-N 3.04Å
114	P	98.1	Very high	98.4	Very high	90 Å²	90	47.9 Å²	47.9	58%	0.584	25%	0.245	S	C	*	.	H	α-helix	trans	-59	-33.1	-179.1	-26.5	36.5	0	0	0	113.6	M109 L112	M109-P114 WeakPolarHBondContact O-CD 3.47Å; L112-P114 VanDerWaalsContact C-CD 3.42Å
115	T	97.8	Very high	98.4	Very high	103 Å²	103	48 Å²	48	63%	0.632	25%	0.245	S	C	*	.	H	α-helix	trans	-96.4	-42.2	-179.1	-56.4	0	0	0	0	112.1	L112 A113	L112-T115 PolarHBondContact O-N 2.76Å; A113-T115 PolarHBondContact O-N 2.91Å
116	H	98	Very high	98.4	Very high	72 Å²	72	48 Å²	48	33%	0.333	25%	0.245	S	C	.	.	H	α-helix	trans	-106	-19.5	-167.5	-60.5	-76.4	0	0	0	114.5	W29 L112 P118	W29-H116 HydrophobicContact CD2-CB 3.87Å; W29-H116 AromaticContact CD2-CG 3.66Å; W29-H116 AromaticContact CD2-ND1 3.78Å; W29-H116 HydrophobicContact CE3-CB 3.3Å; W29-H116 AromaticContact CE3-CD2 3.78Å; W29-H116 AromaticContact CE3-CG 3.43Å; W29-H116 VanDerWaalsContact CE3-CG 3.43Å; W29-H116 AromaticContact CG-CE1 3.96Å; W29-H116 AromaticContact CG-ND1 3.9Å; W29-H116 HydrophobicContact CH2-CB 3.73Å; W29-H116 HydrophobicContact CZ2-CB 4.24Å; W29-H116 HydrophobicContact CZ3-CB 3.24Å; W29-H116 AromaticContact CZ3-CG 3.95Å; L112-H116 PolarHBondContact O-N 3.04Å; H116-P118 VanDerWaalsContact C-CD 3.4Å
117	W	98.5	Very high	98.4	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.015	25%	0.251	C	S	.	.	S	Bend	trans	-133.8	54.9	179.2	-162.2	58.7	0	0	0	112.5	L36 F108 M109 A113 K121 R122 V157 F159 V189 A191	L36-W117 HydrophobicContact CD2-CH2 4.17Å; L36-W117 HydrophobicContact CD2-CZ3 4.16Å; F108-W117 HydrophobicContact CE1-CB 4.48Å; F108-W117 HydrophobicContact CE1-CD2 4.29Å; F108-W117 AromaticContact CE1-CE3 3.86Å; F108-W117 HydrophobicContact CE1-CE3 3.86Å; F108-W117 HydrophobicContact CE1-CZ3 4.49Å; F108-W117 HydrophobicContact CZ-CB 4.25Å; F108-W117 HydrophobicContact CZ-CG 4.48Å; M109-W117 HydrophobicContact CE-CE3 4.32Å; M109-W117 HydrophobicContact CE-CZ3 4.12Å; M109-W117 HydrophobicContact SD-CE3 3.99Å; M109-W117 HydrophobicContact SD-CZ3 3.72Å; A113-W117 HydrophobicContact CB-CB 4.18Å; A113-W117 HydrophobicContact CB-CE3 4.24Å; A113-W117 CarbonylContact O-C 3.59Å; A113-W117 WeakPolarHBondContact O-CA 3.44Å; A113-W117 PolarHBondContact O-N 3.04Å; W117-K121 PolarHBondContact NE1-O 2.98Å; W117-R122 HydrophobicContact CD2-CG 3.84Å; W117-R122 HydrophobicContact CE3-CG 4.09Å; W117-R122 HydrophobicContact CG-CG 4.43Å; W117-R122 HydrophobicContact CH2-CB 4.3Å; W117-R122 HydrophobicContact CH2-CG 4.04Å; W117-R122 HydrophobicContact CZ2-CB 3.8Å; W117-R122 HydrophobicContact CZ2-CG 3.78Å; W117-R122 HydrophobicContact CZ3-CG 4.18Å; W117-R122 PolarHBondContact O-NE 3.14Å; W117-V157 HydrophobicContact CH2-CG1 3.95Å; W117-V157 HydrophobicContact CZ3-CG1 4.27Å; W117-V157 HydrophobicContact CZ3-CG2 4.04Å; W117-F159 HydrophobicContact CH2-CE1 4.07Å; W117-F159 HydrophobicContact CZ2-CE1 4.11Å; W117-V189 HydrophobicContact CB-CG2 4.32Å; W117-V189 HydrophobicContact CD2-CG1 4.2Å; W117-V189 HydrophobicContact CG-CB 4.34Å; W117-V189 HydrophobicContact CG-CG1 4.35Å; W117-V189 HydrophobicContact CG-CG2 3.92Å; W117-V189 HydrophobicContact CZ2-CG1 4.21Å; W117-A191 HydrophobicContact CH2-CB 4.48Å; W117-A191 HydrophobicContact CZ2-CB 4.12Å
118	P	98.4	Very high	98.4	Very high	18 Å²	18	50.8 Å²	50.8	12%	0.117	26%	0.256	C	S	.	.			trans	-65.1	160.5	178.2	32.8	-39.9	0	0	0	111.3	H116 E120 K121 R122	H116-P118 VanDerWaalsContact C-CD 3.4Å; P118-E120 VanDerWaalsContact C-N 3.28Å; P118-E120 WeakPolarHBondContact CB-OE1 3.47Å; P118-E120 WeakPolarHBondContact CB-OE2 3.42Å; P118-E120 WeakPolarHBondContact CG-OE1 3.39Å; P118-E120 PolarHBondContact O-N 3.17Å; P118-E120 VanDerWaalsContact O-N 3.08Å; P118-K121 HydrophobicContact CG-CB 4.31Å; P118-K121 HydrophobicContact CG-CD 4.01Å; P118-K121 HydrophobicContact CG-CG 4.03Å; P118-K121 WeakPolarHBondContact O-CA 3.27Å; P118-K121 PolarHBondContact O-N 2.83Å; P118-R122 WeakPolarHBondContact O-CG 3.45Å
119	P	98.7	Very high	98.3	Very high	75 Å²	75	54.6 Å²	54.6	49%	0.487	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-47.2	-41.8	-171.4	-31.2	37.1	0	0	0	115.9	K121 R122	P119-K121 PolarHBondContact O-N 3.09Å; P119-R122 WeakPolarHBondContact O-CB 3.46Å; P119-R122 PolarHBondContact O-N 3.06Å
120	E	98.2	Very high	98.3	Very high	118 Å²	118	54.8 Å²	54.8	55%	0.551	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-68.4	-18	179.7	70.4	-76.2	179.2	0	0	114	P118	P118-E120 VanDerWaalsContact C-N 3.28Å; P118-E120 WeakPolarHBondContact CB-OE1 3.47Å; P118-E120 WeakPolarHBondContact CB-OE2 3.42Å; P118-E120 WeakPolarHBondContact CG-OE1 3.39Å; P118-E120 PolarHBondContact O-N 3.17Å; P118-E120 VanDerWaalsContact O-N 3.08Å
121	K	98.3	Very high	98.3	Very high	125 Å²	125	48.1 Å²	48.1	54%	0.543	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-100.1	3.6	176	-61.8	-171.6	-173.3	171.1	0	113.2	W117 P118 P119 V123	W117-K121 PolarHBondContact NE1-O 2.98Å; P118-K121 HydrophobicContact CG-CB 4.31Å; P118-K121 HydrophobicContact CG-CD 4.01Å; P118-K121 HydrophobicContact CG-CG 4.03Å; P118-K121 WeakPolarHBondContact O-CA 3.27Å; P118-K121 PolarHBondContact O-N 2.83Å; P119-K121 PolarHBondContact O-N 3.09Å; K121-V123 PolarHBondContact O-N 2.88Å
122	R	98.7	Very high	98.3	Very high	29 Å²	29	48.1 Å²	48.1	11%	0.109	25%	0.254	C	S	.	.			trans	-78.3	94.4	-178.5	-61.3	-176.6	-178.1	168.7	-10.5	110.9	W117 P118 P119 H156 S158 F159 N160	W117-R122 HydrophobicContact CD2-CG 3.84Å; W117-R122 HydrophobicContact CE3-CG 4.09Å; W117-R122 HydrophobicContact CG-CG 4.43Å; W117-R122 HydrophobicContact CH2-CB 4.3Å; W117-R122 HydrophobicContact CH2-CG 4.04Å; W117-R122 HydrophobicContact CZ2-CB 3.8Å; W117-R122 HydrophobicContact CZ2-CG 3.78Å; W117-R122 HydrophobicContact CZ3-CG 4.18Å; W117-R122 PolarHBondContact O-NE 3.14Å; P118-R122 WeakPolarHBondContact O-CG 3.45Å; P119-R122 WeakPolarHBondContact O-CB 3.46Å; P119-R122 PolarHBondContact O-N 3.06Å; R122-H156 PolarHBondContact NH1-O 2.82Å; R122-S158 WeakPolarHBondContact CB-O 3.48Å; R122-S158 VanDerWaalsContact CD-O 3.25Å; R122-S158 WeakPolarHBondContact CD-O 3.34Å; R122-F159 HydrophobicContact CB-CD1 4.41Å; R122-F159 CarbonylContact O-C 3.49Å; R122-F159 WeakPolarHBondContact O-CA 3.32Å; R122-N160 PolarHBondContact O-N 3.17Å
123	V	98.9	Very high	98.1	Very high	15 Å²	15	57.6 Å²	57.6	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.9	179.3	-175.9	0	0	0	0	110.6	K121 Y125 K161 E163	K121-V123 PolarHBondContact O-N 2.88Å; V123-Y125 HydrophobicContact CB-CE2 3.74Å; V123-Y125 HydrophobicContact CG1-CD2 4.26Å; V123-Y125 HydrophobicContact CG1-CE1 4.18Å; V123-Y125 HydrophobicContact CG1-CE2 3.6Å; V123-Y125 WeakPolarHBondContact O-CE2 3.42Å; V123-K161 HydrophobicContact CB-CG 4.4Å; V123-K161 HydrophobicContact CG1-CG 4.15Å; V123-K161 HydrophobicContact CG2-CD 4.25Å; V123-K161 HydrophobicContact CG2-CG 3.87Å; V123-E163 HydrophobicContact CG1-CB 4.19Å; V123-E163 HydrophobicContact CG1-CG 3.41Å; V123-E163 VanDerWaalsContact CG1-CG 3.41Å
124	A	98.9	Very high	97.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	141.9	171.6	0	0	0	0	0	110.9	C140 M142 F159 K161 S162 E163	A124-C140 HydrophobicContact CB-CB 3.7Å; A124-M142 HydrophobicContact CB-CE 4.32Å; A124-M142 HydrophobicContact CB-CG 3.38Å; A124-M142 HydrophobicContact CB-SD 3.77Å; A124-F159 HydrophobicContact CB-CB 3.9Å; A124-F159 HydrophobicContact CB-CD1 3.79Å; A124-F159 HydrophobicContact CB-CG 3.83Å; A124-K161 PolarHBondContact N-O 3.38Å; A124-S162 CarbonylContact O-C 3.54Å; A124-S162 WeakPolarHBondContact O-CA 3.48Å; A124-E163 PolarHBondContact O-N 3.48Å
125	Y	98.9	Very high	97.8	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.2	178.2	-60.2	-101.4	0	0	0	109.4	V123 E163 F182 H187 V189 L190 A191 L192 P193	V123-Y125 HydrophobicContact CB-CE2 3.74Å; V123-Y125 HydrophobicContact CG1-CD2 4.26Å; V123-Y125 HydrophobicContact CG1-CE1 4.18Å; V123-Y125 HydrophobicContact CG1-CE2 3.6Å; V123-Y125 WeakPolarHBondContact O-CE2 3.42Å; Y125-E163 WeakPolarHBondContact CA-O 3.17Å; Y125-E163 HydrophobicContact CD1-CB 3.54Å; Y125-E163 HydrophobicContact CD1-CG 4.18Å; Y125-E163 HydrophobicContact CE1-CB 3.65Å; Y125-E163 HydrophobicContact CE1-CG 3.75Å; Y125-E163 HydrophobicContact CG-CB 4.31Å; Y125-F182 HydrophobicContact CD1-CD1 4.09Å; Y125-F182 AromaticContact CD1-CE1 3.82Å; Y125-F182 HydrophobicContact CD1-CE1 3.82Å; Y125-F182 HydrophobicContact CD1-CZ 4.23Å; Y125-F182 AromaticContact CE1-CD1 3.83Å; Y125-F182 HydrophobicContact CE1-CD1 3.83Å; Y125-F182 AromaticContact CE1-CE1 3.89Å; Y125-F182 HydrophobicContact CE1-CE1 3.89Å; Y125-H187 HydrophobicContact CE1-CB 4.49Å; Y125-H187 AromaticContact CE1-ND1 3.4Å; Y125-H187 WeakPolarHBondContact CE1-ND1 3.49Å; Y125-H187 AromaticContact CZ-ND1 3.54Å; Y125-H187 PolarHBondContact OH-ND1 2.91Å; Y125-V189 WeakPolarHBondContact CE2-O 3.41Å; Y125-V189 PolarHBondContact OH-O 3.36Å; Y125-L190 HydrophobicContact CD1-CD2 3.63Å; Y125-L190 HydrophobicContact CD2-CD2 4.02Å; Y125-L190 HydrophobicContact CE1-CD2 3.33Å; Y125-L190 HydrophobicContact CE2-CD2 3.76Å; Y125-L190 HydrophobicContact CG-CD2 3.97Å; Y125-L190 VanDerWaalsContact CZ-CD2 3.41Å; Y125-A191 PolarHBondContact N-O 3.37Å; Y125-L192 WeakPolarHBondContact O-CD2 3.48Å; Y125-P193 WeakPolarHBondContact O-CD 3.28Å
126	C	98.8	Very high	97.8	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.3	179.5	67.7	0	0	0	0	112.9	A130 C140 E163 L164 F165 P193	C126-A130 HydrophobicContact CB-CB 4.38Å; C126-C140 HydrophobicContact CB-CB 3.76Å; C126-C140 WeakPolarHBondContact CB-SG 3.35Å; C126-C140 PolarHBondContact N-SG 3.29Å; C126-C140 WeakPolarHBondContact SG-CA 3.38Å; C126-C140 WeakPolarHBondContact SG-CB 2.97Å; C126-C140 CovalentContact SG-SG 2.03Å; C126-C140 PolarHBondContact SG-SG 2.87Å; C126-E163 PolarHBondContact N-O 3.05Å; C126-L164 CarbonylContact O-C 3Å; C126-L164 WeakPolarHBondContact O-CA 3.34Å; C126-F165 VanDerWaalsContact C-CE1 3.41Å; C126-F165 VanDerWaalsContact CA-CE1 3.49Å; C126-F165 VanDerWaalsContact N-CE1 3.3Å; C126-F165 WeakPolarHBondContact O-CD1 3.39Å; C126-F165 PolarHBondContact O-N 2.84Å; C126-P193 HydrophobicContact CB-CG 4.03Å
127	F	98.6	Very high	97.8	Very high	64 Å²	64	62.4 Å²	62.4	28%	0.281	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	142.7	170.7	-76	-73.9	0	0	0	111.5	V129 A130 A131 F165 I168 F170	F127-V129 HydrophobicContact CB-CG1 4.03Å; F127-V129 PolarHBondContact O-N 3.15Å; F127-A130 WeakPolarHBondContact O-CA 3.32Å; F127-A130 WeakPolarHBondContact O-CB 3.36Å; F127-A130 PolarHBondContact O-N 3.14Å; F127-A131 PolarHBondContact O-N 3.45Å; F127-F165 CarbonylContact C-O 3.23Å; F127-F165 WeakPolarHBondContact CA-O 3.26Å; F127-F165 HydrophobicContact CB-CE2 4.43Å; F127-F165 AromaticContact CD1-CD2 3.54Å; F127-F165 HydrophobicContact CD1-CD2 3.54Å; F127-F165 AromaticContact CD1-CE2 3.5Å; F127-F165 HydrophobicContact CD1-CE2 3.5Å; F127-F165 VanDerWaalsContact CD1-CE2 3.5Å; F127-F165 AromaticContact CD2-CE2 3.69Å; F127-F165 HydrophobicContact CD2-CE2 3.69Å; F127-F165 HydrophobicContact CD2-CZ 4.31Å; F127-F165 AromaticContact CE1-CD2 3.63Å; F127-F165 HydrophobicContact CE1-CD2 3.63Å; F127-F165 AromaticContact CE1-CE2 3.5Å; F127-F165 HydrophobicContact CE1-CE2 3.5Å; F127-F165 VanDerWaalsContact CE1-CE2 3.5Å; F127-F165 AromaticContact CE2-CE2 3.69Å; F127-F165 HydrophobicContact CE2-CE2 3.69Å; F127-F165 HydrophobicContact CE2-CZ 4.45Å; F127-F165 HydrophobicContact CG-CD2 4.04Å; F127-F165 AromaticContact CG-CE2 3.6Å; F127-F165 HydrophobicContact CG-CE2 3.6Å; F127-F165 HydrophobicContact CG-CZ 4.42Å; F127-F165 HydrophobicContact CZ-CD2 4.19Å; F127-F165 AromaticContact CZ-CE2 3.61Å; F127-F165 HydrophobicContact CZ-CE2 3.61Å; F127-I168 WeakPolarHBondContact CE1-O 3.23Å; F127-F170 AromaticContact CE2-CE2 3.82Å; F127-F170 HydrophobicContact CE2-CE2 3.82Å; F127-F170 AromaticContact CE2-CZ 3.82Å; F127-F170 HydrophobicContact CE2-CZ 3.82Å; F127-F170 HydrophobicContact CZ-CE2 4.33Å; F127-F170 HydrophobicContact CZ-CZ 4.29Å
128	E	98.3	Very high	97.7	Very high	69 Å²	69	69.5 Å²	69.5	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-52.3	-41	174.3	-75.7	175	-165.5	0	0	112	A130 A131 Q132 L164 F165 T166	E128-A130 PolarHBondContact O-N 3.12Å; E128-A131 PolarHBondContact O-N 3.1Å; E128-Q132 VanDerWaalsContact O-CG 3.29Å; E128-Q132 WeakPolarHBondContact O-CG 3.35Å; E128-Q132 PolarHBondContact O-N 3.18Å; E128-L164 HydrophobicContact CG-CB 3.73Å; E128-L164 HydrophobicContact CG-CD1 4.32Å; E128-F165 PolarHBondContact N-O 3.32Å; E128-T166 VanDerWaalsContact OE1-CG2 3.31Å; E128-T166 WeakPolarHBondContact OE1-CG2 3.36Å; E128-T166 WeakPolarHBondContact OE2-CG2 3.29Å
129	V	97.4	Very high	97.7	Very high	81 Å²	81	71.8 Å²	71.8	49%	0.491	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-26.2	177.8	72.7	0	0	0	0	113.3	F127	F127-V129 HydrophobicContact CB-CG1 4.03Å; F127-V129 PolarHBondContact O-N 3.15Å
130	A	97.4	Very high	97.7	Very high	23 Å²	23	68.5 Å²	68.5	19%	0.19	33%	0.333	C	S	.	.	H	α-helix	trans	-75.9	-45	174.4	0	0	0	0	0	110.3	C126 F127 E128 Q132 R133 P141	C126-A130 HydrophobicContact CB-CB 4.38Å; F127-A130 WeakPolarHBondContact O-CA 3.32Å; F127-A130 WeakPolarHBondContact O-CB 3.36Å; F127-A130 PolarHBondContact O-N 3.14Å; E128-A130 PolarHBondContact O-N 3.12Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.24Å; A130-R133 WeakPolarHBondContact O-CB 3.3Å; A130-R133 PolarHBondContact O-N 3.33Å; A130-R133 VanDerWaalsContact O-N 3.15Å; A130-P141 HydrophobicContact CB-CG 4.17Å
131	A	97.7	Very high	97.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-32.7	175.2	0	0	0	0	0	112.7	F127 E128 R133 S134 K137 T139 L164	F127-A131 PolarHBondContact O-N 3.45Å; E128-A131 PolarHBondContact O-N 3.1Å; A131-R133 PolarHBondContact O-N 3.39Å; A131-S134 WeakPolarHBondContact O-CB 3.38Å; A131-S134 PolarHBondContact O-N 3.06Å; A131-S134 PolarHBondContact O-OG 2.82Å; A131-K137 CarbonylContact O-C 3.16Å; A131-K137 VanDerWaalsContact O-CA 3.24Å; A131-K137 WeakPolarHBondContact O-CA 3.45Å; A131-T139 WeakPolarHBondContact CA-O 3.24Å; A131-L164 HydrophobicContact CB-CD1 3.92Å; A131-L164 HydrophobicContact CB-CD2 3.42Å; A131-L164 VanDerWaalsContact CB-CD2 3.42Å; A131-L164 HydrophobicContact CB-CG 4.32Å
132	Q	97.4	Very high	97.7	Very high	114 Å²	114	58.6 Å²	58.6	53%	0.533	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18	174.8	-76.2	171.2	4.4	0	0	114	E128 A130	E128-Q132 VanDerWaalsContact O-CG 3.29Å; E128-Q132 WeakPolarHBondContact O-CG 3.35Å; E128-Q132 PolarHBondContact O-N 3.18Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.24Å
133	R	94.3	Very high	97.7	Very high	204 Å²	204	60 Å²	60	77%	0.77	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-10.3	176	-60.3	173.2	-174.6	-176.7	-0.8	113	A130 A131	A130-R133 WeakPolarHBondContact O-CB 3.3Å; A130-R133 PolarHBondContact O-N 3.33Å; A130-R133 VanDerWaalsContact O-N 3.15Å; A131-R133 PolarHBondContact O-N 3.39Å
134	S	95.7	Very high	97.7	Very high	9 Å²	9	65.1 Å²	65.1	6%	0.063	32%	0.321	C	S	.	.	S	Bend	trans	-72.8	159.4	174	72.8	0	0	0	0	110.7	A131 D136 K137 K138 T139	A131-S134 WeakPolarHBondContact O-CB 3.38Å; A131-S134 PolarHBondContact O-N 3.06Å; A131-S134 PolarHBondContact O-OG 2.82Å; S134-D136 WeakPolarHBondContact CB-OD1 3.42Å; S134-D136 PolarHBondContact O-N 2.84Å; S134-D136 PolarHBondContact OG-OD1 2.83Å; S134-K137 PolarHBondContact O-N 2.97Å; S134-K137 PolarHBondContact OG-N 2.97Å; S134-K137 VanDerWaalsContact OG-N 3.11Å; S134-K138 PolarHBondContact OG-N 3.45Å; S134-T139 WeakPolarHBondContact CB-O 3.48Å; S134-T139 PolarHBondContact OG-N 3.08Å; S134-T139 PolarHBondContact OG-O 3.03Å
135	P	95.8	Very high	97.6	Very high	128 Å²	128	67.6 Å²	67.6	83%	0.831	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-36	178.3	-27.6	36	0	0	0	114.1
136	D	96.9	Very high	97.5	Very high	80 Å²	80	71.5 Å²	71.5	43%	0.428	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.1	179.8	71.6	-20.6	0	0	0	113.9	S134 K138 T139	S134-D136 WeakPolarHBondContact CB-OD1 3.42Å; S134-D136 PolarHBondContact O-N 2.84Å; S134-D136 PolarHBondContact OG-OD1 2.83Å; D136-K138 PolarHBondContact O-N 3.46Å; D136-K138 VanDerWaalsContact O-N 3.13Å; D136-K138 PolarHBondContact OD1-N 3.47Å; D136-T139 VanDerWaalsContact OD1-CB 3.29Å; D136-T139 WeakPolarHBondContact OD1-CB 3.44Å; D136-T139 PolarHBondContact OD1-N 3.32Å; D136-T139 PolarHBondContact OD1-OG1 2.98Å; D136-T139 WeakPolarHBondContact OD2-CB 3.26Å; D136-T139 PolarHBondContact OD2-N 3.17Å; D136-T139 PolarHBondContact OD2-OG1 3.42Å
137	K	97.4	Very high	97.4	Very high	150 Å²	150	71.7 Å²	71.7	65%	0.652	37%	0.369	S	S	*	.	S	Bend	trans	58.6	15.3	-177.1	-53.4	-177.5	179.5	179.9	0	115.2	A131 S134	A131-K137 CarbonylContact O-C 3.16Å; A131-K137 VanDerWaalsContact O-CA 3.24Å; A131-K137 WeakPolarHBondContact O-CA 3.45Å; S134-K137 PolarHBondContact O-N 2.97Å; S134-K137 PolarHBondContact OG-N 2.97Å; S134-K137 VanDerWaalsContact OG-N 3.11Å
138	K	97.8	Very high	97.4	Very high	153 Å²	153	71.6 Å²	71.6	67%	0.665	37%	0.369	S	S	*	.	S	Bend	trans	-134.1	-20.6	-172.9	-67.8	178.5	-176.8	179.2	0	113.3	S134 D136	S134-K138 PolarHBondContact OG-N 3.45Å; D136-K138 PolarHBondContact O-N 3.46Å; D136-K138 VanDerWaalsContact O-N 3.13Å; D136-K138 PolarHBondContact OD1-N 3.47Å
139	T	98.4	Very high	97.4	Very high	65 Å²	65	68.6 Å²	68.6	40%	0.399	36%	0.356	S	S	.	.	S	Bend	trans	-91.7	133.7	-177.6	-67.5	0	0	0	0	111.8	A131 S134 D136	A131-T139 WeakPolarHBondContact CA-O 3.24Å; S134-T139 WeakPolarHBondContact CB-O 3.48Å; S134-T139 PolarHBondContact OG-N 3.08Å; S134-T139 PolarHBondContact OG-O 3.03Å; D136-T139 VanDerWaalsContact OD1-CB 3.29Å; D136-T139 WeakPolarHBondContact OD1-CB 3.44Å; D136-T139 PolarHBondContact OD1-N 3.32Å; D136-T139 PolarHBondContact OD1-OG1 2.98Å; D136-T139 WeakPolarHBondContact OD2-CB 3.26Å; D136-T139 PolarHBondContact OD2-N 3.17Å; D136-T139 PolarHBondContact OD2-OG1 3.42Å
140	C	98.8	Very high	97.5	Very high	7 Å²	7	67.2 Å²	67.2	5%	0.047	35%	0.349	C	S	.	.			trans	-64.4	129	173.5	-71.6	0	0	0	0	111.1	A124 C126 M142 S162	A124-C140 HydrophobicContact CB-CB 3.7Å; C126-C140 HydrophobicContact CB-CB 3.76Å; C126-C140 WeakPolarHBondContact CB-SG 3.35Å; C126-C140 PolarHBondContact N-SG 3.29Å; C126-C140 WeakPolarHBondContact SG-CA 3.38Å; C126-C140 WeakPolarHBondContact SG-CB 2.97Å; C126-C140 CovalentContact SG-SG 2.03Å; C126-C140 PolarHBondContact SG-SG 2.87Å; C140-M142 HydrophobicContact CB-CG 4.02Å; C140-M142 HydrophobicContact CB-SD 4.26Å; C140-M142 PolarHBondContact O-N 3.27Å; C140-S162 PolarHBondContact N-OG 3.36Å
141	P	98.3	Very high	97.6	Very high	31 Å²	31	66.1 Å²	66.1	20%	0.201	34%	0.34	C	S	.	.			trans	-79	54.9	-177.6	33.9	-37.4	0	0	0	111.7	A130 K143 E144	A130-P141 HydrophobicContact CB-CG 4.17Å; P141-K143 PolarHBondContact O-N 2.98Å; P141-E144 HydrophobicContact CB-CB 3.91Å; P141-E144 HydrophobicContact CB-CG 3.63Å
142	M	98.6	Very high	97.6	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.015	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27	-174.4	-63	-64.1	-74.1	0	0	113.3	A124 C140 F148 W152 F159 A191 L192 P193	A124-M142 HydrophobicContact CB-CE 4.32Å; A124-M142 HydrophobicContact CB-CG 3.38Å; A124-M142 HydrophobicContact CB-SD 3.77Å; C140-M142 HydrophobicContact CB-CG 4.02Å; C140-M142 HydrophobicContact CB-SD 4.26Å; C140-M142 PolarHBondContact O-N 3.27Å; M142-F148 WeakPolarHBondContact O-CB 3.29Å; M142-W152 HydrophobicContact CE-CZ2 3.8Å; M142-W152 PolarHBondContact O-NE1 2.97Å; M142-F159 HydrophobicContact CB-CD2 3.5Å; M142-F159 VanDerWaalsContact CB-CD2 3.5Å; M142-F159 HydrophobicContact CB-CE2 3.41Å; M142-F159 VanDerWaalsContact CB-CE2 3.41Å; M142-F159 HydrophobicContact CB-CG 4.39Å; M142-F159 HydrophobicContact CB-CZ 4.25Å; M142-F159 HydrophobicContact CE-CD1 4.37Å; M142-F159 HydrophobicContact CE-CD2 4.43Å; M142-F159 HydrophobicContact CE-CE1 3.67Å; M142-F159 HydrophobicContact CE-CE2 3.75Å; M142-F159 HydrophobicContact CE-CZ 3.31Å; M142-F159 HydrophobicContact CG-CD1 4.5Å; M142-F159 HydrophobicContact CG-CD2 3.63Å; M142-F159 HydrophobicContact CG-CE2 3.74Å; M142-F159 HydrophobicContact CG-CG 4.04Å; M142-F159 HydrophobicContact CG-CZ 4.23Å; M142-A191 HydrophobicContact CE-CB 4.44Å; M142-A191 WeakPolarHBondContact CE-O 3.32Å; M142-L192 VanDerWaalsContact CE-C 3.48Å; M142-P193 VanDerWaalsContact SD-CA 3.59Å; M142-P193 HydrophobicContact SD-CB 3.57Å; M142-P193 VanDerWaalsContact SD-CB 3.57Å; M142-P193 VanDerWaalsContact SD-CD 3.53Å; M142-P193 HydrophobicContact SD-CG 4.04Å; M142-P193 VanDerWaalsContact SD-N 3.43Å
143	K	98.5	Very high	97.7	Very high	58 Å²	58	64.3 Å²	64.3	25%	0.252	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	9	-171.6	-64	-179.1	65.9	172.8	0	113.1	P141 G145 G149 W152 D153 V157 S158	P141-K143 PolarHBondContact O-N 2.98Å; K143-G145 PolarHBondContact O-N 3.2Å; K143-G149 VanDerWaalsContact O-CA 3.31Å; K143-G149 WeakPolarHBondContact O-CA 3.44Å; K143-G149 PolarHBondContact O-N 2.93Å; K143-W152 HydrophobicContact CD-CB 4.25Å; K143-W152 HydrophobicContact CG-CB 4.07Å; K143-W152 HydrophobicContact CG-CG 4.36Å; K143-D153 WeakPolarHBondContact CE-OD1 3.45Å; K143-D153 IonicContact NZ-OD1 2.62Å; K143-D153 PolarHBondContact NZ-OD1 2.79Å; K143-V157 WeakPolarHBondContact CD-O 3.46Å; K143-V157 WeakPolarHBondContact CE-O 3.49Å; K143-V157 PolarHBondContact NZ-O 3.22Å; K143-S158 PolarHBondContact NZ-OG 2.98Å
144	E	97.6	Very high	97.9	Very high	123 Å²	123	57.8 Å²	57.8	58%	0.575	31%	0.312	S	S	*	.	S	Bend	trans	-78.1	112.2	-177.2	-67.9	-60.6	148.9	0	0	110.8	P141 F148	P141-E144 HydrophobicContact CB-CB 3.91Å; P141-E144 HydrophobicContact CB-CG 3.63Å; E144-F148 VanDerWaalsContact O-CD2 3.24Å; E144-F148 WeakPolarHBondContact O-CD2 3.38Å
145	G	96.9	Very high	98	Very high	53 Å²	53	58.9 Å²	58.9	55%	0.546	32%	0.316	S	S	.	.	S	Bend	trans	79	-166.4	177.6	0	0	0	0	0	115.1	K143 F148 G149	K143-G145 PolarHBondContact O-N 3.2Å; G145-F148 PolarHBondContact O-N 2.71Å; G145-G149 PolarHBondContact O-N 3.19Å
146	N	96.8	Very high	98.2	Very high	86 Å²	86	60.5 Å²	60.5	46%	0.46	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	132.3	179.2	-176.7	-43.9	0	0	0	109.3	N82	N82-N146 PolarHBondContact ND2-ND2 3.26Å; N82-N146 PolarHBondContact ND2-OD1 3.44Å; N82-N146 PolarHBondContact OD1-ND2 3.4Å
147	P	98	Very high	98.2	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.026	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.9	2.6	11	38.7	-38.7	0	0	0	115.3	C40 I71 Y73 N82 G149 F151	C40-P147 HydrophobicContact CB-CG 3.92Å; I71-P147 HydrophobicContact CD1-CB 3.78Å; I71-P147 HydrophobicContact CD1-CG 3.9Å; I71-P147 HydrophobicContact CG2-CB 4.08Å; Y73-P147 HydrophobicContact CE1-CB 4.37Å; Y73-P147 WeakPolarHBondContact OH-CG 3.29Å; N82-P147 WeakPolarHBondContact ND2-CB 3.39Å; P147-G149 PolarHBondContact O-N 3.36Å; P147-F151 VanDerWaalsContact O-CB 3.27Å; P147-F151 WeakPolarHBondContact O-CB 3Å; P147-F151 PolarHBondContact O-N 3.17Å
148	F	98.4	Very high	98.3	Very high	62 Å²	62	52.9 Å²	52.9	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-52.1	-56.8	-172.6	-61.4	-84.6	0	0	0	114.5	C40 M142 E144 G145 W152 P193	C40-F148 HydrophobicContact CB-CD1 3.83Å; C40-F148 HydrophobicContact CB-CE1 3.48Å; C40-F148 VanDerWaalsContact CB-CE1 3.48Å; C40-F148 HydrophobicContact CB-CE2 4.47Å; C40-F148 HydrophobicContact CB-CG 4.46Å; C40-F148 HydrophobicContact CB-CZ 3.84Å; C40-F148 WeakPolarHBondContact SG-CD1 3.38Å; M142-F148 WeakPolarHBondContact O-CB 3.29Å; E144-F148 VanDerWaalsContact O-CD2 3.24Å; E144-F148 WeakPolarHBondContact O-CD2 3.38Å; G145-F148 PolarHBondContact O-N 2.71Å; F148-W152 VanDerWaalsContact O-CD1 3.29Å; F148-W152 PolarHBondContact O-N 3.01Å; F148-P193 VanDerWaalsContact CE1-O 3.31Å; F148-P193 WeakPolarHBondContact CE1-O 3.37Å
149	G	98.4	Very high	98.3	Very high	6 Å²	6	47.6 Å²	47.6	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-61.7	-178.7	0	0	0	0	0	112.6	K143 G145 P147 F151 W152 D153	K143-G149 VanDerWaalsContact O-CA 3.31Å; K143-G149 WeakPolarHBondContact O-CA 3.44Å; K143-G149 PolarHBondContact O-N 2.93Å; G145-G149 PolarHBondContact O-N 3.19Å; P147-G149 PolarHBondContact O-N 3.36Å; G149-F151 PolarHBondContact O-N 2.8Å; G149-F151 VanDerWaalsContact O-N 3.1Å; G149-W152 PolarHBondContact O-N 3.47Å; G149-W152 VanDerWaalsContact O-N 3.09Å; G149-D153 WeakPolarHBondContact O-CB 3.5Å; G149-D153 PolarHBondContact O-N 3.46Å; G149-D153 VanDerWaalsContact O-OD2 3.12Å
150	P	98.6	Very high	98.3	Very high	53 Å²	53	49.5 Å²	49.5	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-53.4	-35	-179.5	-29	35.9	0	0	0	114.2	H84 Q154	H84-P150 PolarHBondContact CE1-O 3Å; P150-Q154 PolarHBondContact O-N 2.03Å
151	F	98.8	Very high	98.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-45.5	178.8	174.9	-93.2	0	0	0	112.7	C38 P39 P68 P69 I71 L105 P147 G149 Q154	C38-F151 HydrophobicContact CB-CD1 3.49Å; C38-F151 VanDerWaalsContact CB-CD1 3.49Å; C38-F151 HydrophobicContact CB-CE1 3.61Å; C38-F151 HydrophobicContact CB-CG 4.01Å; C38-F151 HydrophobicContact CB-CZ 4.21Å; C38-F151 VanDerWaalsContact SG-CD1 3.56Å; C38-F151 WeakPolarHBondContact SG-CG 3.29Å; P39-F151 VanDerWaalsContact CD-CE2 3.48Å; P39-F151 HydrophobicContact CG-CE2 4.31Å; P68-F151 HydrophobicContact CB-CE2 3.83Å; P68-F151 HydrophobicContact CB-CZ 3.63Å; P69-F151 HydrophobicContact CG-CE2 3.99Å; I71-F151 HydrophobicContact CD1-CB 4.44Å; I71-F151 HydrophobicContact CD1-CD2 3.97Å; I71-F151 HydrophobicContact CD1-CG 4.49Å; I71-F151 HydrophobicContact CG1-CD2 4.21Å; L105-F151 HydrophobicContact CD2-CE1 4.1Å; L105-F151 HydrophobicContact CD2-CE2 4.49Å; L105-F151 HydrophobicContact CD2-CZ 3.56Å; P147-F151 VanDerWaalsContact O-CB 3.27Å; P147-F151 WeakPolarHBondContact O-CB 3Å; P147-F151 PolarHBondContact O-N 3.17Å; G149-F151 PolarHBondContact O-N 2.8Å; G149-F151 VanDerWaalsContact O-N 3.1Å; F151-Q154 VanDerWaalsContact O-CG 3.27Å; F151-Q154 WeakPolarHBondContact O-CG 3.38Å; F151-Q154 PolarHBondContact O-NE2 3.22Å
152	W	98.8	Very high	98.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-81.4	-29.8	178.7	-66.5	110	0	0	0	112.4	L36 C38 M142 K143 F148 G149 Q154 F155 H156 V157 F159 A191	L36-W152 HydrophobicContact CB-CH2 4.32Å; C38-W152 HydrophobicContact CB-CZ2 4.44Å; M142-W152 HydrophobicContact CE-CZ2 3.8Å; M142-W152 PolarHBondContact O-NE1 2.97Å; K143-W152 HydrophobicContact CD-CB 4.25Å; K143-W152 HydrophobicContact CG-CB 4.07Å; K143-W152 HydrophobicContact CG-CG 4.36Å; F148-W152 VanDerWaalsContact O-CD1 3.29Å; F148-W152 PolarHBondContact O-N 3.01Å; G149-W152 PolarHBondContact O-N 3.47Å; G149-W152 VanDerWaalsContact O-N 3.09Å; W152-Q154 VanDerWaalsContact C-N 3.29Å; W152-Q154 PolarHBondContact O-N 2.9Å; W152-F155 PolarHBondContact O-N 3.17Å; W152-H156 PolarHBondContact O-N 3.26Å; W152-V157 HydrophobicContact CB-CB 4.15Å; W152-V157 HydrophobicContact CB-CG1 4.37Å; W152-V157 HydrophobicContact CD2-CG1 4.35Å; W152-V157 HydrophobicContact CE3-CB 4.11Å; W152-V157 HydrophobicContact CE3-CG1 3.82Å; W152-V157 HydrophobicContact CE3-CG2 4.46Å; W152-V157 PolarHBondContact O-N 3.2Å; W152-F159 AromaticContact CD2-CE2 3.96Å; W152-F159 HydrophobicContact CD2-CE2 3.96Å; W152-F159 AromaticContact CD2-CZ 3.74Å; W152-F159 HydrophobicContact CD2-CZ 3.74Å; W152-F159 AromaticContact CE2-CZ 3.78Å; W152-F159 HydrophobicContact CE3-CE2 4.49Å; W152-F159 AromaticContact CE3-CZ 3.95Å; W152-F159 HydrophobicContact CE3-CZ 3.95Å; W152-F159 AromaticContact CG-CE2 3.96Å; W152-F159 HydrophobicContact CG-CE2 3.96Å; W152-F159 HydrophobicContact CG-CZ 4.26Å; W152-F159 HydrophobicContact CH2-CZ 4.22Å; W152-F159 HydrophobicContact CZ2-CZ 4.03Å; W152-F159 HydrophobicContact CZ3-CZ 4.18Å; W152-A191 HydrophobicContact CH2-CB 4.48Å
153	D	98.8	Very high	98.3	Very high	76 Å²	76	56.4 Å²	56.4	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-30.6	178.9	-75.7	-35.9	0	0	0	113	K143 G149 F155 H156	K143-D153 WeakPolarHBondContact CE-OD1 3.45Å; K143-D153 IonicContact NZ-OD1 2.62Å; K143-D153 PolarHBondContact NZ-OD1 2.79Å; G149-D153 WeakPolarHBondContact O-CB 3.5Å; G149-D153 PolarHBondContact O-N 3.46Å; G149-D153 VanDerWaalsContact O-OD2 3.12Å; D153-F155 PolarHBondContact O-N 2.86Å; D153-F155 VanDerWaalsContact O-N 3.11Å; D153-H156 PolarHBondContact O-N 3.32Å
154	Q	98.5	Very high	98.3	Very high	66 Å²	66	55.7 Å²	55.7	31%	0.308	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.7	175.7	86.2	-172.2	-74.6	0	0	113	H84 P150 F151 W152	H84-Q154 PolarHBondContact CD2-NE2 3.28Å; H84-Q154 VanDerWaalsContact CD2-NE2 3.26Å; H84-Q154 VanDerWaalsContact CG-CD 3.49Å; H84-Q154 VanDerWaalsContact CG-NE2 3.26Å; H84-Q154 PolarHBondContact ND1-OE1 2.95Å; P150-Q154 PolarHBondContact O-N 2.03Å; F151-Q154 VanDerWaalsContact O-CG 3.27Å; F151-Q154 WeakPolarHBondContact O-CG 3.38Å; F151-Q154 PolarHBondContact O-NE2 3.22Å; W152-Q154 VanDerWaalsContact C-N 3.29Å; W152-Q154 PolarHBondContact O-N 2.9Å
155	F	98.6	Very high	98.4	Very high	32 Å²	32	49.9 Å²	49.9	14%	0.14	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	9.4	178	-59.6	-65.1	0	0	0	112.6	P69 L105 E106 M109 W152 D153 V157	P69-F155 HydrophobicContact CG-CE2 4.39Å; P69-F155 HydrophobicContact CG-CZ 4.2Å; L105-F155 HydrophobicContact CD2-CD2 4.21Å; L105-F155 HydrophobicContact CD2-CE2 3.6Å; L105-F155 HydrophobicContact CD2-CZ 4.18Å; L105-F155 HydrophobicContact CG-CD2 4.49Å; L105-F155 HydrophobicContact CG-CE2 3.93Å; L105-F155 HydrophobicContact CG-CZ 4.09Å; E106-F155 HydrophobicContact CG-CE1 4Å; E106-F155 HydrophobicContact CG-CZ 4.12Å; M109-F155 HydrophobicContact CB-CD1 3.92Å; M109-F155 HydrophobicContact CB-CE1 4.48Å; M109-F155 HydrophobicContact CB-CG 4.4Å; M109-F155 HydrophobicContact CE-CB 4.1Å; M109-F155 HydrophobicContact CG-CB 4.03Å; M109-F155 HydrophobicContact CG-CD1 3.79Å; M109-F155 HydrophobicContact CG-CD2 4.43Å; M109-F155 HydrophobicContact CG-CE1 4.36Å; M109-F155 HydrophobicContact CG-CG 3.84Å; W152-F155 PolarHBondContact O-N 3.17Å; D153-F155 PolarHBondContact O-N 2.86Å; D153-F155 VanDerWaalsContact O-N 3.11Å; F155-V157 HydrophobicContact CB-CG2 3.82Å; F155-V157 PolarHBondContact O-N 3.14Å
156	H	98.6	Very high	98.4	Very high	163 Å²	163	50.9 Å²	50.9	76%	0.755	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	41.4	-172.8	-50.7	-66	0	0	0	112.3	R122 W152 D153	R122-H156 PolarHBondContact NH1-O 2.82Å; W152-H156 PolarHBondContact O-N 3.26Å; D153-H156 PolarHBondContact O-N 3.32Å
157	V	98.8	Very high	98.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.			trans	-93.6	128.9	-179.8	172	0	0	0	0	111	M109 W117 K143 W152 F155 F159	M109-V157 HydrophobicContact CE-CG2 3.4Å; M109-V157 VanDerWaalsContact CE-CG2 3.4Å; M109-V157 HydrophobicContact SD-CG2 4.11Å; W117-V157 HydrophobicContact CH2-CG1 3.95Å; W117-V157 HydrophobicContact CZ3-CG1 4.27Å; W117-V157 HydrophobicContact CZ3-CG2 4.04Å; K143-V157 WeakPolarHBondContact CD-O 3.46Å; K143-V157 WeakPolarHBondContact CE-O 3.49Å; K143-V157 PolarHBondContact NZ-O 3.22Å; W152-V157 HydrophobicContact CB-CB 4.15Å; W152-V157 HydrophobicContact CB-CG1 4.37Å; W152-V157 HydrophobicContact CD2-CG1 4.35Å; W152-V157 HydrophobicContact CE3-CB 4.11Å; W152-V157 HydrophobicContact CE3-CG1 3.82Å; W152-V157 HydrophobicContact CE3-CG2 4.46Å; W152-V157 PolarHBondContact O-N 3.2Å; F155-V157 HydrophobicContact CB-CG2 3.82Å; F155-V157 PolarHBondContact O-N 3.14Å; V157-F159 HydrophobicContact CG1-CD2 4.43Å; V157-F159 HydrophobicContact CG1-CE1 4.15Å; V157-F159 HydrophobicContact CG1-CE2 3.81Å; V157-F159 HydrophobicContact CG1-CZ 3.65Å
158	S	98.5	Very high	98.3	Very high	69 Å²	69	50.7 Å²	50.7	48%	0.483	28%	0.281	S	S	.	.			trans	-132.7	151.9	165.4	-69.3	0	0	0	0	107.6	R122 K143	R122-S158 WeakPolarHBondContact CB-O 3.48Å; R122-S158 VanDerWaalsContact CD-O 3.25Å; R122-S158 WeakPolarHBondContact CD-O 3.34Å; K143-S158 PolarHBondContact NZ-OG 2.98Å
159	F	98.7	Very high	98.2	Very high	42 Å²	42	49.6 Å²	49.6	18%	0.184	28%	0.28	C	S	.	.			trans	-105.3	128.9	-174.8	-61.8	-87.4	0	0	0	109.9	W117 R122 A124 M142 W152 V157 A191	W117-F159 HydrophobicContact CH2-CE1 4.07Å; W117-F159 HydrophobicContact CZ2-CE1 4.11Å; R122-F159 HydrophobicContact CB-CD1 4.41Å; R122-F159 CarbonylContact O-C 3.49Å; R122-F159 WeakPolarHBondContact O-CA 3.32Å; A124-F159 HydrophobicContact CB-CB 3.9Å; A124-F159 HydrophobicContact CB-CD1 3.79Å; A124-F159 HydrophobicContact CB-CG 3.83Å; M142-F159 HydrophobicContact CB-CD2 3.5Å; M142-F159 VanDerWaalsContact CB-CD2 3.5Å; M142-F159 HydrophobicContact CB-CE2 3.41Å; M142-F159 VanDerWaalsContact CB-CE2 3.41Å; M142-F159 HydrophobicContact CB-CG 4.39Å; M142-F159 HydrophobicContact CB-CZ 4.25Å; M142-F159 HydrophobicContact CE-CD1 4.37Å; M142-F159 HydrophobicContact CE-CD2 4.43Å; M142-F159 HydrophobicContact CE-CE1 3.67Å; M142-F159 HydrophobicContact CE-CE2 3.75Å; M142-F159 HydrophobicContact CE-CZ 3.31Å; M142-F159 HydrophobicContact CG-CD1 4.5Å; M142-F159 HydrophobicContact CG-CD2 3.63Å; M142-F159 HydrophobicContact CG-CE2 3.74Å; M142-F159 HydrophobicContact CG-CG 4.04Å; M142-F159 HydrophobicContact CG-CZ 4.23Å; W152-F159 AromaticContact CD2-CE2 3.96Å; W152-F159 HydrophobicContact CD2-CE2 3.96Å; W152-F159 AromaticContact CD2-CZ 3.74Å; W152-F159 HydrophobicContact CD2-CZ 3.74Å; W152-F159 AromaticContact CE2-CZ 3.78Å; W152-F159 HydrophobicContact CE3-CE2 4.49Å; W152-F159 AromaticContact CE3-CZ 3.95Å; W152-F159 HydrophobicContact CE3-CZ 3.95Å; W152-F159 AromaticContact CG-CE2 3.96Å; W152-F159 HydrophobicContact CG-CE2 3.96Å; W152-F159 HydrophobicContact CG-CZ 4.26Å; W152-F159 HydrophobicContact CH2-CZ 4.22Å; W152-F159 HydrophobicContact CZ2-CZ 4.03Å; W152-F159 HydrophobicContact CZ3-CZ 4.18Å; V157-F159 HydrophobicContact CG1-CD2 4.43Å; V157-F159 HydrophobicContact CG1-CE1 4.15Å; V157-F159 HydrophobicContact CG1-CE2 3.81Å; V157-F159 HydrophobicContact CG1-CZ 3.65Å; F159-A191 HydrophobicContact CE1-CB 3.79Å; F159-A191 HydrophobicContact CZ-CB 4.48Å
160	N	98	Very high	98.1	Very high	106 Å²	106	51.7 Å²	51.7	57%	0.567	29%	0.288	S	S	*	.	S	Bend	trans	-79.3	-34.5	-176.2	178.3	-98	0	0	0	112.5	R122	R122-N160 PolarHBondContact O-N 3.17Å
161	K	97.9	Very high	98	Very high	100 Å²	100	50.6 Å²	50.6	44%	0.435	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	167.3	178.1	65.4	168.3	-172.8	152.4	0	112	V123 A124 E163	V123-K161 HydrophobicContact CB-CG 4.4Å; V123-K161 HydrophobicContact CG1-CG 4.15Å; V123-K161 HydrophobicContact CG2-CD 4.25Å; V123-K161 HydrophobicContact CG2-CG 3.87Å; A124-K161 PolarHBondContact N-O 3.38Å; K161-E163 IonicContact NZ-OE1 3.52Å; K161-E163 PolarHBondContact NZ-OE1 3.41Å
162	S	98.8	Very high	97.8	Very high	32 Å²	32	54 Å²	54	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.5	179.3	-61.7	0	0	0	0	111.3	A124 C140	A124-S162 CarbonylContact O-C 3.54Å; A124-S162 WeakPolarHBondContact O-CA 3.48Å; C140-S162 PolarHBondContact N-OG 3.36Å
163	E	98.8	Very high	97.7	Very high	53 Å²	53	58 Å²	58	25%	0.248	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115	168.3	-66.1	-68.8	168.1	0	0	107.9	V123 A124 Y125 C126 K161 F182	V123-E163 HydrophobicContact CG1-CB 4.19Å; V123-E163 HydrophobicContact CG1-CG 3.41Å; V123-E163 VanDerWaalsContact CG1-CG 3.41Å; A124-E163 PolarHBondContact O-N 3.48Å; Y125-E163 WeakPolarHBondContact CA-O 3.17Å; Y125-E163 HydrophobicContact CD1-CB 3.54Å; Y125-E163 HydrophobicContact CD1-CG 4.18Å; Y125-E163 HydrophobicContact CE1-CB 3.65Å; Y125-E163 HydrophobicContact CE1-CG 3.75Å; Y125-E163 HydrophobicContact CG-CB 4.31Å; C126-E163 PolarHBondContact N-O 3.05Å; K161-E163 IonicContact NZ-OE1 3.52Å; K161-E163 PolarHBondContact NZ-OE1 3.41Å; E163-F182 HydrophobicContact CB-CE1 4.32Å
164	L	98.7	Very high	97.7	Very high	43 Å²	43	57.8 Å²	57.8	23%	0.225	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	148.4	-176.2	-51	-173.7	0	0	0	110.2	C126 E128 A131 R181	C126-L164 CarbonylContact O-C 3Å; C126-L164 WeakPolarHBondContact O-CA 3.34Å; E128-L164 HydrophobicContact CG-CB 3.73Å; E128-L164 HydrophobicContact CG-CD1 4.32Å; A131-L164 HydrophobicContact CB-CD1 3.92Å; A131-L164 HydrophobicContact CB-CD2 3.42Å; A131-L164 VanDerWaalsContact CB-CD2 3.42Å; A131-L164 HydrophobicContact CB-CG 4.32Å; L164-R181 PolarHBondContact O-NH2 3.43Å
165	F	98.4	Very high	97.6	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.6	171.1	54.1	-97.2	0	0	0	112.4	C126 F127 E128 I168 F170 W178 F182 L192	C126-F165 VanDerWaalsContact C-CE1 3.41Å; C126-F165 VanDerWaalsContact CA-CE1 3.49Å; C126-F165 VanDerWaalsContact N-CE1 3.3Å; C126-F165 WeakPolarHBondContact O-CD1 3.39Å; C126-F165 PolarHBondContact O-N 2.84Å; F127-F165 CarbonylContact C-O 3.23Å; F127-F165 WeakPolarHBondContact CA-O 3.26Å; F127-F165 HydrophobicContact CB-CE2 4.43Å; F127-F165 AromaticContact CD1-CD2 3.54Å; F127-F165 HydrophobicContact CD1-CD2 3.54Å; F127-F165 AromaticContact CD1-CE2 3.5Å; F127-F165 HydrophobicContact CD1-CE2 3.5Å; F127-F165 VanDerWaalsContact CD1-CE2 3.5Å; F127-F165 AromaticContact CD2-CE2 3.69Å; F127-F165 HydrophobicContact CD2-CE2 3.69Å; F127-F165 HydrophobicContact CD2-CZ 4.31Å; F127-F165 AromaticContact CE1-CD2 3.63Å; F127-F165 HydrophobicContact CE1-CD2 3.63Å; F127-F165 AromaticContact CE1-CE2 3.5Å; F127-F165 HydrophobicContact CE1-CE2 3.5Å; F127-F165 VanDerWaalsContact CE1-CE2 3.5Å; F127-F165 AromaticContact CE2-CE2 3.69Å; F127-F165 HydrophobicContact CE2-CE2 3.69Å; F127-F165 HydrophobicContact CE2-CZ 4.45Å; F127-F165 HydrophobicContact CG-CD2 4.04Å; F127-F165 AromaticContact CG-CE2 3.6Å; F127-F165 HydrophobicContact CG-CE2 3.6Å; F127-F165 HydrophobicContact CG-CZ 4.42Å; F127-F165 HydrophobicContact CZ-CD2 4.19Å; F127-F165 AromaticContact CZ-CE2 3.61Å; F127-F165 HydrophobicContact CZ-CE2 3.61Å; E128-F165 PolarHBondContact N-O 3.32Å; F165-I168 HydrophobicContact CB-CD1 3.77Å; F165-I168 HydrophobicContact CB-CG1 4.31Å; F165-I168 HydrophobicContact CD2-CD1 3.75Å; F165-I168 HydrophobicContact CD2-CG1 3.78Å; F165-I168 HydrophobicContact CG-CD1 3.9Å; F165-I168 HydrophobicContact CG-CG1 4.38Å; F165-F170 HydrophobicContact CE2-CE1 4.48Å; F165-F170 HydrophobicContact CE2-CZ 4.38Å; F165-F170 HydrophobicContact CZ-CE1 4.37Å; F165-F170 HydrophobicContact CZ-CZ 4.3Å; F165-W178 HydrophobicContact CD1-CH2 4.07Å; F165-W178 HydrophobicContact CD1-CZ3 4.48Å; F165-W178 HydrophobicContact CD2-CH2 4.1Å; F165-W178 HydrophobicContact CD2-CZ2 4.42Å; F165-W178 AromaticContact CE1-CH2 3.79Å; F165-W178 HydrophobicContact CE1-CH2 3.79Å; F165-W178 HydrophobicContact CE1-CZ3 4.38Å; F165-W178 AromaticContact CE2-CH2 3.83Å; F165-W178 HydrophobicContact CE2-CH2 3.83Å; F165-W178 HydrophobicContact CE2-CZ2 4.17Å; F165-W178 HydrophobicContact CG-CH2 4.22Å; F165-W178 AromaticContact CZ-CH2 3.68Å; F165-W178 HydrophobicContact CZ-CH2 3.68Å; F165-W178 HydrophobicContact CZ-CZ2 4.41Å; F165-F182 HydrophobicContact CB-CE2 4.33Å; F165-F182 HydrophobicContact CB-CZ 4.18Å; F165-F182 HydrophobicContact CD1-CE2 4.21Å; F165-F182 HydrophobicContact CD1-CZ 4.08Å; F165-L192 HydrophobicContact CE1-CD2 4.06Å; F165-L192 HydrophobicContact CZ-CD2 4.06Å
166	T	97.6	Very high	97.5	Very high	74 Å²	74	65 Å²	65	45%	0.454	36%	0.36	S	S	.	.			trans	-153.6	163.2	179.7	-167.3	0	0	0	0	109.5	E128 I168	E128-T166 VanDerWaalsContact OE1-CG2 3.31Å; E128-T166 WeakPolarHBondContact OE1-CG2 3.36Å; E128-T166 WeakPolarHBondContact OE2-CG2 3.29Å; T166-I168 PolarHBondContact O-N 3.44Å; T166-I168 VanDerWaalsContact O-N 3.14Å
167	G	95.5	Very high	97.5	Very high	65 Å²	65	61.1 Å²	61.1	67%	0.67	34%	0.343	S	S	*	.	S	Bend	trans	64.6	15.1	178.6	0	0	0	0	0	115.1	Y174	G167-Y174 WeakPolarHBondContact O-CE1 3.23Å
168	I	96.5	Very high	97.5	Very high	22 Å²	22	61.3 Å²	61.3	11%	0.113	34%	0.343	C	S	.	.			trans	-126.5	158.2	176.1	65.6	178.6	0	0	0	110	F127 F165 T166 Y174 Q177 W178	F127-I168 WeakPolarHBondContact CE1-O 3.23Å; F165-I168 HydrophobicContact CB-CD1 3.77Å; F165-I168 HydrophobicContact CB-CG1 4.31Å; F165-I168 HydrophobicContact CD2-CD1 3.75Å; F165-I168 HydrophobicContact CD2-CG1 3.78Å; F165-I168 HydrophobicContact CG-CD1 3.9Å; F165-I168 HydrophobicContact CG-CG1 4.38Å; T166-I168 PolarHBondContact O-N 3.44Å; T166-I168 VanDerWaalsContact O-N 3.14Å; I168-Y174 HydrophobicContact CB-CD1 3.89Å; I168-Y174 HydrophobicContact CB-CE1 4.33Å; I168-Y174 HydrophobicContact CB-CG 4.36Å; I168-Y174 HydrophobicContact CG2-CD1 3.92Å; I168-Y174 HydrophobicContact CG2-CE1 4.34Å; I168-Q177 HydrophobicContact CG2-CB 4.19Å; I168-W178 HydrophobicContact CD1-CD2 4.06Å; I168-W178 HydrophobicContact CD1-CE3 4.43Å; I168-W178 HydrophobicContact CD1-CH2 3.81Å; I168-W178 HydrophobicContact CD1-CZ2 3.42Å; I168-W178 VanDerWaalsContact CD1-CZ2 3.42Å; I168-W178 HydrophobicContact CD1-CZ3 4.31Å; I168-W178 HydrophobicContact CG1-CZ2 4.01Å
169	S	96.6	Very high	97.4	Very high	38 Å²	38	60.2 Å²	60.2	27%	0.266	34%	0.336	S	S	.	.			trans	-129.1	177.4	170.8	85	0	0	0	0	110.4	S171 Y174 W178	S169-S171 VanDerWaalsContact C-N 3.25Å; S169-S171 PolarHBondContact O-N 2.92Å; S169-S171 PolarHBondContact OG-N 3.36Å; S169-S171 PolarHBondContact OG-OG 3.3Å; S169-Y174 WeakPolarHBondContact O-CB 3.24Å; S169-Y174 WeakPolarHBondContact OG-CD2 3.39Å; S169-Y174 VanDerWaalsContact OG-CE2 3.26Å; S169-Y174 WeakPolarHBondContact OG-CE2 3.29Å; S169-W178 PolarHBondContact O-NE1 3.31Å
170	F	97.6	Very high	97.3	Very high	51 Å²	51	66.2 Å²	66.2	22%	0.224	36%	0.364	C	S	.	.	S	Bend	trans	-86.5	13.4	176.5	-51.9	-62.4	0	0	0	113.5	F57 F127 F165 W178 L192 P196	F57-F170 HydrophobicContact CD2-CB 4.12Å; F57-F170 WeakPolarHBondContact CD2-O 3.22Å; F57-F170 HydrophobicContact CE1-CD1 4.1Å; F57-F170 HydrophobicContact CE2-CB 4.08Å; F57-F170 HydrophobicContact CE2-CD1 4.17Å; F57-F170 AromaticContact CZ-CD1 3.82Å; F57-F170 HydrophobicContact CZ-CD1 3.82Å; F127-F170 AromaticContact CE2-CE2 3.82Å; F127-F170 HydrophobicContact CE2-CE2 3.82Å; F127-F170 AromaticContact CE2-CZ 3.82Å; F127-F170 HydrophobicContact CE2-CZ 3.82Å; F127-F170 HydrophobicContact CZ-CE2 4.33Å; F127-F170 HydrophobicContact CZ-CZ 4.29Å; F165-F170 HydrophobicContact CE2-CE1 4.48Å; F165-F170 HydrophobicContact CE2-CZ 4.38Å; F165-F170 HydrophobicContact CZ-CE1 4.37Å; F165-F170 HydrophobicContact CZ-CZ 4.3Å; F170-W178 HydrophobicContact CD1-CH2 4.29Å; F170-W178 AromaticContact CD1-CZ2 3.61Å; F170-W178 HydrophobicContact CD1-CZ2 3.61Å; F170-W178 AromaticContact CE1-CH2 3.75Å; F170-W178 HydrophobicContact CE1-CH2 3.75Å; F170-W178 AromaticContact CE1-CZ2 3.46Å; F170-W178 HydrophobicContact CE1-CZ2 3.46Å; F170-W178 VanDerWaalsContact CE1-CZ2 3.46Å; F170-L192 HydrophobicContact CE1-CD1 4.39Å; F170-P196 HydrophobicContact CB-CB 4.2Å; F170-P196 WeakPolarHBondContact CB-O 3.49Å; F170-P196 HydrophobicContact CD1-CB 3.37Å; F170-P196 HydrophobicContact CD2-CB 4.11Å; F170-P196 HydrophobicContact CE1-CB 3.63Å; F170-P196 HydrophobicContact CE2-CB 4.32Å; F170-P196 HydrophobicContact CG-CB 3.63Å; F170-P196 HydrophobicContact CZ-CB 4.1Å
171	S	95.5	Very high	97.3	Very high	29 Å²	29	66.2 Å²	66.2	20%	0.203	36%	0.356	C	S	.	.	S	Bend	trans	-78	156	175.8	61.7	0	0	0	0	112.3	S169 S173 Y174	S169-S171 VanDerWaalsContact C-N 3.25Å; S169-S171 PolarHBondContact O-N 2.92Å; S169-S171 PolarHBondContact OG-N 3.36Å; S169-S171 PolarHBondContact OG-OG 3.3Å; S171-S173 PolarHBondContact O-N 3.25Å; S171-S173 VanDerWaalsContact O-N 3.08Å; S171-S173 PolarHBondContact OG-OG 2.97Å; S171-Y174 PolarHBondContact O-N 3.06Å; S171-Y174 WeakPolarHBondContact OG-CD2 3.24Å
172	A	95.3	Very high	97.3	Very high	71 Å²	71	61.6 Å²	61.6	59%	0.587	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-54.8	-28.9	178.5	0	0	0	0	0	113.8	L60 Y174 R175	L60-A172 HydrophobicContact CD1-CB 4.01Å; A172-Y174 PolarHBondContact O-N 2.88Å; A172-Y174 VanDerWaalsContact O-N 3.16Å; A172-R175 WeakPolarHBondContact O-CB 3.37Å; A172-R175 PolarHBondContact O-N 3.47Å; A172-R175 VanDerWaalsContact O-N 3.17Å
173	S	96.9	Very high	97.2	Very high	85 Å²	85	61.4 Å²	61.4	59%	0.594	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-61.4	-19.3	176.8	61.4	0	0	0	0	114.6	S171	S171-S173 PolarHBondContact O-N 3.25Å; S171-S173 VanDerWaalsContact O-N 3.08Å; S171-S173 PolarHBondContact OG-OG 2.97Å
174	Y	97.8	Very high	97.2	Very high	72 Å²	72	61 Å²	61	28%	0.282	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-99.2	9.9	179.5	-71.3	-84	0	0	0	113.6	G167 I168 S169 S171 A172 E176 Q177 W178	G167-Y174 WeakPolarHBondContact O-CE1 3.23Å; I168-Y174 HydrophobicContact CB-CD1 3.89Å; I168-Y174 HydrophobicContact CB-CE1 4.33Å; I168-Y174 HydrophobicContact CB-CG 4.36Å; I168-Y174 HydrophobicContact CG2-CD1 3.92Å; I168-Y174 HydrophobicContact CG2-CE1 4.34Å; S169-Y174 WeakPolarHBondContact O-CB 3.24Å; S169-Y174 WeakPolarHBondContact OG-CD2 3.39Å; S169-Y174 VanDerWaalsContact OG-CE2 3.26Å; S169-Y174 WeakPolarHBondContact OG-CE2 3.29Å; S171-Y174 PolarHBondContact O-N 3.06Å; S171-Y174 WeakPolarHBondContact OG-CD2 3.24Å; A172-Y174 PolarHBondContact O-N 2.88Å; A172-Y174 VanDerWaalsContact O-N 3.16Å; Y174-E176 VanDerWaalsContact C-N 3.31Å; Y174-E176 PolarHBondContact O-N 3.29Å; Y174-Q177 HydrophobicContact CD1-CG 4.37Å; Y174-Q177 PolarHBondContact O-N 2.87Å; Y174-Q177 PolarHBondContact O-OE1 3.48Å; Y174-W178 PolarHBondContact O-N 3.07Å
175	R	97	Very high	97.1	Very high	124 Å²	124	68.4 Å²	68.4	47%	0.468	37%	0.367	S	S	.	.	H	α-helix	trans	-51.8	-47	-175.8	-179.9	-175.9	-177.3	-150	-6.3	113.1	L60 A172 W178 S179	L60-R175 HydrophobicContact CD1-CB 3.96Å; L60-R175 HydrophobicContact CD1-CG 3.98Å; L60-R175 HydrophobicContact CD2-CB 4.25Å; L60-R175 HydrophobicContact CG-CB 4.06Å; L60-R175 HydrophobicContact CG-CG 3.99Å; L60-R175 PolarHBondContact O-NE 2.96Å; A172-R175 WeakPolarHBondContact O-CB 3.37Å; A172-R175 PolarHBondContact O-N 3.47Å; A172-R175 VanDerWaalsContact O-N 3.17Å; R175-W178 PolarHBondContact O-N 3.21Å; R175-S179 WeakPolarHBondContact O-CB 3.29Å; R175-S179 PolarHBondContact O-N 2.74Å; R175-S179 PolarHBondContact O-OG 3.09Å
176	E	97.2	Very high	97	Very high	125 Å²	125	74.8 Å²	74.8	58%	0.584	40%	0.397	S	S	*	.	H	α-helix	trans	-67.3	-42	-176.9	-64.2	-54.3	146.3	0	0	111.2	Y174 W178 S179 Q180	Y174-E176 VanDerWaalsContact C-N 3.31Å; Y174-E176 PolarHBondContact O-N 3.29Å; E176-W178 VanDerWaalsContact C-N 3.35Å; E176-W178 PolarHBondContact O-N 2.73Å; E176-S179 PolarHBondContact O-N 2.97Å; E176-Q180 VanDerWaalsContact O-CB 3.24Å; E176-Q180 WeakPolarHBondContact O-CB 3.3Å; E176-Q180 PolarHBondContact O-N 3.15Å
177	Q	98.1	Very high	97.1	Very high	81 Å²	81	72.3 Å²	72.3	38%	0.379	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-42.3	177.3	-63	86.1	-22.1	0	0	111.3	I168 Y174 R181	I168-Q177 HydrophobicContact CG2-CB 4.19Å; Y174-Q177 HydrophobicContact CD1-CG 4.37Å; Y174-Q177 PolarHBondContact O-N 2.87Å; Y174-Q177 PolarHBondContact O-OE1 3.48Å; Q177-R181 WeakPolarHBondContact O-CB 3.4Å; Q177-R181 PolarHBondContact O-N 2.81Å
178	W	98.3	Very high	97.2	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-63.8	-45.7	174.3	-82	105.7	0	0	0	112	F57 L61 F165 I168 S169 F170 Y174 R175 E176 F182	F57-W178 HydrophobicContact CE2-CG 4.46Å; F57-W178 AromaticContact CE2-NE1 3.93Å; F57-W178 AromaticContact CZ-CD1 3.92Å; F57-W178 AromaticContact CZ-CD2 3.78Å; F57-W178 HydrophobicContact CZ-CD2 3.78Å; F57-W178 AromaticContact CZ-CE2 3.67Å; F57-W178 HydrophobicContact CZ-CE3 4.3Å; F57-W178 AromaticContact CZ-CG 4Å; F57-W178 HydrophobicContact CZ-CG 4Å; F57-W178 HydrophobicContact CZ-CZ2 4.19Å; F57-W178 AromaticContact CZ-NE1 3.73Å; L61-W178 HydrophobicContact CD1-CB 4.32Å; L61-W178 HydrophobicContact CD1-CE3 4.48Å; L61-W178 HydrophobicContact CD2-CB 3.48Å; L61-W178 VanDerWaalsContact CD2-CB 3.48Å; L61-W178 HydrophobicContact CD2-CG 4.16Å; F165-W178 HydrophobicContact CD1-CH2 4.07Å; F165-W178 HydrophobicContact CD1-CZ3 4.48Å; F165-W178 HydrophobicContact CD2-CH2 4.1Å; F165-W178 HydrophobicContact CD2-CZ2 4.42Å; F165-W178 AromaticContact CE1-CH2 3.79Å; F165-W178 HydrophobicContact CE1-CH2 3.79Å; F165-W178 HydrophobicContact CE1-CZ3 4.38Å; F165-W178 AromaticContact CE2-CH2 3.83Å; F165-W178 HydrophobicContact CE2-CH2 3.83Å; F165-W178 HydrophobicContact CE2-CZ2 4.17Å; F165-W178 HydrophobicContact CG-CH2 4.22Å; F165-W178 AromaticContact CZ-CH2 3.68Å; F165-W178 HydrophobicContact CZ-CH2 3.68Å; F165-W178 HydrophobicContact CZ-CZ2 4.41Å; I168-W178 HydrophobicContact CD1-CD2 4.06Å; I168-W178 HydrophobicContact CD1-CE3 4.43Å; I168-W178 HydrophobicContact CD1-CH2 3.81Å; I168-W178 HydrophobicContact CD1-CZ2 3.42Å; I168-W178 VanDerWaalsContact CD1-CZ2 3.42Å; I168-W178 HydrophobicContact CD1-CZ3 4.31Å; I168-W178 HydrophobicContact CG1-CZ2 4.01Å; S169-W178 PolarHBondContact O-NE1 3.31Å; F170-W178 HydrophobicContact CD1-CH2 4.29Å; F170-W178 AromaticContact CD1-CZ2 3.61Å; F170-W178 HydrophobicContact CD1-CZ2 3.61Å; F170-W178 AromaticContact CE1-CH2 3.75Å; F170-W178 HydrophobicContact CE1-CH2 3.75Å; F170-W178 AromaticContact CE1-CZ2 3.46Å; F170-W178 HydrophobicContact CE1-CZ2 3.46Å; F170-W178 VanDerWaalsContact CE1-CZ2 3.46Å; Y174-W178 PolarHBondContact O-N 3.07Å; R175-W178 PolarHBondContact O-N 3.21Å; E176-W178 VanDerWaalsContact C-N 3.35Å; E176-W178 PolarHBondContact O-N 2.73Å; W178-F182 HydrophobicContact CD2-CD2 4.49Å; W178-F182 AromaticContact CE3-CD2 3.43Å; W178-F182 HydrophobicContact CE3-CD2 3.43Å; W178-F182 VanDerWaalsContact CE3-CD2 3.43Å; W178-F182 AromaticContact CE3-CE2 3.8Å; W178-F182 HydrophobicContact CE3-CE2 3.8Å; W178-F182 HydrophobicContact CH2-CE2 4.35Å; W178-F182 AromaticContact CZ3-CD2 3.57Å; W178-F182 HydrophobicContact CZ3-CD2 3.57Å; W178-F182 AromaticContact CZ3-CE2 3.52Å; W178-F182 HydrophobicContact CZ3-CE2 3.52Å; W178-F182 WeakPolarHBondContact O-CA 3.31Å; W178-F182 WeakPolarHBondContact O-CB 3.18Å; W178-F182 PolarHBondContact O-N 2.84Å
179	S	95.5	Very high	97.3	Very high	46 Å²	46	70.6 Å²	70.6	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-69.7	-37.7	-176.1	-55.9	0	0	0	0	112.2	R175 E176 S183	R175-S179 WeakPolarHBondContact O-CB 3.29Å; R175-S179 PolarHBondContact O-N 2.74Å; R175-S179 PolarHBondContact O-OG 3.09Å; E176-S179 PolarHBondContact O-N 2.97Å; S179-S183 PolarHBondContact O-N 3.2Å
180	Q	96.4	Very high	97.4	Very high	168 Å²	168	68.9 Å²	68.9	79%	0.785	35%	0.347	S	S	*	.	H	α-helix	trans	-70.9	-45.8	177	-174.9	-177.6	11.5	0	0	111.7	E176	E176-Q180 VanDerWaalsContact O-CB 3.24Å; E176-Q180 WeakPolarHBondContact O-CB 3.3Å; E176-Q180 PolarHBondContact O-N 3.15Å
181	R	98.1	Very high	97.5	Very high	106 Å²	106	66.5 Å²	66.5	40%	0.4	34%	0.336	S	S	.	.	H	α-helix	trans	-74.1	-34.3	-177.3	-173.3	175.5	-177.6	152.1	10.3	112.5	L164 Q177	L164-R181 PolarHBondContact O-NH2 3.43Å; Q177-R181 WeakPolarHBondContact O-CB 3.4Å; Q177-R181 PolarHBondContact O-N 2.81Å
182	F	98.3	Very high	97.7	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.018	33%	0.327	C	S	.	.	S	Bend	trans	-129.6	66.1	-172.1	-56.6	-61.3	0	0	0	110.9	R63 Y125 E163 F165 W178 H187 L190	R63-F182 PolarHBondContact NH2-O 2.94Å; Y125-F182 HydrophobicContact CD1-CD1 4.09Å; Y125-F182 AromaticContact CD1-CE1 3.82Å; Y125-F182 HydrophobicContact CD1-CE1 3.82Å; Y125-F182 HydrophobicContact CD1-CZ 4.23Å; Y125-F182 AromaticContact CE1-CD1 3.83Å; Y125-F182 HydrophobicContact CE1-CD1 3.83Å; Y125-F182 AromaticContact CE1-CE1 3.89Å; Y125-F182 HydrophobicContact CE1-CE1 3.89Å; E163-F182 HydrophobicContact CB-CE1 4.32Å; F165-F182 HydrophobicContact CB-CE2 4.33Å; F165-F182 HydrophobicContact CB-CZ 4.18Å; F165-F182 HydrophobicContact CD1-CE2 4.21Å; F165-F182 HydrophobicContact CD1-CZ 4.08Å; W178-F182 HydrophobicContact CD2-CD2 4.49Å; W178-F182 AromaticContact CE3-CD2 3.43Å; W178-F182 HydrophobicContact CE3-CD2 3.43Å; W178-F182 VanDerWaalsContact CE3-CD2 3.43Å; W178-F182 AromaticContact CE3-CE2 3.8Å; W178-F182 HydrophobicContact CE3-CE2 3.8Å; W178-F182 HydrophobicContact CH2-CE2 4.35Å; W178-F182 AromaticContact CZ3-CD2 3.57Å; W178-F182 HydrophobicContact CZ3-CD2 3.57Å; W178-F182 AromaticContact CZ3-CE2 3.52Å; W178-F182 HydrophobicContact CZ3-CE2 3.52Å; W178-F182 WeakPolarHBondContact O-CA 3.31Å; W178-F182 WeakPolarHBondContact O-CB 3.18Å; W178-F182 PolarHBondContact O-N 2.84Å; F182-H187 HydrophobicContact CB-CB 4.3Å; F182-H187 AromaticContact CD1-CD2 3.96Å; F182-H187 AromaticContact CD1-CE1 3.94Å; F182-H187 AromaticContact CD1-CG 3.99Å; F182-H187 AromaticContact CD1-ND1 4Å; F182-H187 AromaticContact CD1-NE2 3.92Å; F182-L190 HydrophobicContact CB-CD1 4.18Å; F182-L190 HydrophobicContact CB-CD2 4.04Å; F182-L190 HydrophobicContact CD1-CD2 4.49Å; F182-L190 HydrophobicContact CG-CD2 4.27Å
183	S	97.8	Very high	97.8	Very high	27 Å²	27	63.1 Å²	63.1	19%	0.189	31%	0.307	C	S	.	.			trans	-62.2	145.9	177.4	77.1	0	0	0	0	111.1	R63 S179 K185 E186 H187	R63-S183 PolarHBondContact NH2-O 2.82Å; S179-S183 PolarHBondContact O-N 3.2Å; S183-K185 PolarHBondContact O-N 3.49Å; S183-E186 PolarHBondContact O-N 2.99Å; S183-E186 PolarHBondContact OG-N 3.21Å; S183-E186 PolarHBondContact OG-OE2 3.45Å; S183-H187 WeakPolarHBondContact O-CA 3.48Å; S183-H187 WeakPolarHBondContact O-CB 3.45Å; S183-H187 PolarHBondContact O-N 2.73Å
184	P	97.3	Very high	97.9	Very high	45 Å²	45	60.2 Å²	60.2	29%	0.292	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28	176.3	-29.8	37.6	0	0	0	114.8	A32 H187 P188	A32-P184 VanDerWaalsContact O-CB 3.31Å; A32-P184 WeakPolarHBondContact O-CB 3.24Å; A32-P184 WeakPolarHBondContact O-CG 3.2Å; P184-H187 CarbonylContact O-C 3.47Å; P184-P188 VanDerWaalsContact O-CA 3.26Å; P184-P188 WeakPolarHBondContact O-CA 3.44Å
185	K	96.6	Very high	97.9	Very high	199 Å²	199	57.4 Å²	57.4	87%	0.865	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-42.1	179.7	-175.7	-179.8	176.5	-175	0	112.2	S183	S183-K185 PolarHBondContact O-N 3.49Å
186	E	97.8	Very high	98	Very high	135 Å²	135	51.5 Å²	51.5	63%	0.631	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-32.1	-178.6	-66.4	163.9	150.6	0	0	111.7	S183 P188	S183-E186 PolarHBondContact O-N 2.99Å; S183-E186 PolarHBondContact OG-N 3.21Å; S183-E186 PolarHBondContact OG-OE2 3.45Å; E186-P188 VanDerWaalsContact C-CD 3.46Å; E186-P188 WeakPolarHBondContact O-CD 3.4Å
187	H	98.6	Very high	98.1	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.102	24%	0.24	C	C	.	.			trans	-124.4	73.1	-177.2	-59.8	-84.9	0	0	0	109.8	R63 Y125 F182 S183 P184 V189 L190	R63-H187 VanDerWaalsContact CZ-O 3.27Å; R63-H187 PolarHBondContact NH1-O 3.41Å; R63-H187 PolarHBondContact NH2-O 3.29Å; Y125-H187 HydrophobicContact CE1-CB 4.49Å; Y125-H187 AromaticContact CE1-ND1 3.4Å; Y125-H187 WeakPolarHBondContact CE1-ND1 3.49Å; Y125-H187 AromaticContact CZ-ND1 3.54Å; Y125-H187 PolarHBondContact OH-ND1 2.91Å; F182-H187 HydrophobicContact CB-CB 4.3Å; F182-H187 AromaticContact CD1-CD2 3.96Å; F182-H187 AromaticContact CD1-CE1 3.94Å; F182-H187 AromaticContact CD1-CG 3.99Å; F182-H187 AromaticContact CD1-ND1 4Å; F182-H187 AromaticContact CD1-NE2 3.92Å; S183-H187 WeakPolarHBondContact O-CA 3.48Å; S183-H187 WeakPolarHBondContact O-CB 3.45Å; S183-H187 PolarHBondContact O-N 2.73Å; P184-H187 CarbonylContact O-C 3.47Å; H187-V189 VanDerWaalsContact C-N 3.26Å; H187-V189 PolarHBondContact O-N 2.95Å; H187-L190 HydrophobicContact CB-CD2 3.94Å
188	P	98.5	Very high	98.1	Very high	47 Å²	47	47.8 Å²	47.8	31%	0.305	25%	0.246	S	C	.	.	S	Bend	trans	-64.5	-29.8	-177.3	21.9	-32.3	0	0	0	113.2	W29 G33 Y34 P184 E186	W29-P188 HydrophobicContact CH2-CB 4.07Å; W29-P188 HydrophobicContact CZ2-CB 3.68Å; G33-P188 CarbonylContact C-O 3.58Å; G33-P188 WeakPolarHBondContact CA-O 3.17Å; Y34-P188 PolarHBondContact N-O 3.07Å; P184-P188 VanDerWaalsContact O-CA 3.26Å; P184-P188 WeakPolarHBondContact O-CA 3.44Å; E186-P188 VanDerWaalsContact C-CD 3.46Å; E186-P188 WeakPolarHBondContact O-CD 3.4Å
189	V	98.8	Very high	98	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115	179.6	-175.5	0	0	0	0	108.8	W29 L36 F108 W117 Y125 H187	W29-V189 HydrophobicContact CH2-CG2 3.89Å; L36-V189 HydrophobicContact CD1-CG1 3.83Å; L36-V189 HydrophobicContact CD2-CG1 3.97Å; L36-V189 HydrophobicContact CG-CG1 4.41Å; F108-V189 HydrophobicContact CZ-CG1 4.22Å; F108-V189 HydrophobicContact CZ-CG2 4Å; W117-V189 HydrophobicContact CB-CG2 4.32Å; W117-V189 HydrophobicContact CD2-CG1 4.2Å; W117-V189 HydrophobicContact CG-CB 4.34Å; W117-V189 HydrophobicContact CG-CG1 4.35Å; W117-V189 HydrophobicContact CG-CG2 3.92Å; W117-V189 HydrophobicContact CZ2-CG1 4.21Å; Y125-V189 WeakPolarHBondContact CE2-O 3.41Å; Y125-V189 PolarHBondContact OH-O 3.36Å; H187-V189 VanDerWaalsContact C-N 3.26Å; H187-V189 PolarHBondContact O-N 2.95Å
190	L	98.9	Very high	98.2	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	98.4	172.3	-70	-174.5	0	0	0	109.7	Y34 L35 L36 L61 Y125 F182 H187	Y34-L190 PolarHBondContact O-N 3.09Å; L35-L190 HydrophobicContact CD1-CB 4.17Å; L36-L190 PolarHBondContact N-O 3.2Å; L61-L190 HydrophobicContact CD1-CD1 4.23Å; Y125-L190 HydrophobicContact CD1-CD2 3.63Å; Y125-L190 HydrophobicContact CD2-CD2 4.02Å; Y125-L190 HydrophobicContact CE1-CD2 3.33Å; Y125-L190 HydrophobicContact CE2-CD2 3.76Å; Y125-L190 HydrophobicContact CG-CD2 3.97Å; Y125-L190 VanDerWaalsContact CZ-CD2 3.41Å; F182-L190 HydrophobicContact CB-CD1 4.18Å; F182-L190 HydrophobicContact CB-CD2 4.04Å; F182-L190 HydrophobicContact CD1-CD2 4.49Å; F182-L190 HydrophobicContact CG-CD2 4.27Å; H187-L190 HydrophobicContact CB-CD2 3.94Å
191	A	98.9	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.1	178.9	0	0	0	0	0	111.8	L36 W117 Y125 M142 W152 F159	L36-A191 HydrophobicContact CB-CB 4.09Å; L36-A191 WeakPolarHBondContact O-CA 3.44Å; W117-A191 HydrophobicContact CH2-CB 4.48Å; W117-A191 HydrophobicContact CZ2-CB 4.12Å; Y125-A191 PolarHBondContact N-O 3.37Å; M142-A191 HydrophobicContact CE-CB 4.44Å; M142-A191 WeakPolarHBondContact CE-O 3.32Å; W152-A191 HydrophobicContact CH2-CB 4.48Å; F159-A191 HydrophobicContact CE1-CB 3.79Å; F159-A191 HydrophobicContact CZ-CB 4.48Å
192	L	98.9	Very high	98.2	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.5	-174.1	-63.3	166.6	0	0	0	112.1	L35 L36 Y125 M142 F165 F170 G194 P196	L35-L192 HydrophobicContact CD1-CD1 3.85Å; L36-L192 PolarHBondContact O-N 3.07Å; Y125-L192 WeakPolarHBondContact O-CD2 3.48Å; M142-L192 VanDerWaalsContact CE-C 3.48Å; F165-L192 HydrophobicContact CE1-CD2 4.06Å; F165-L192 HydrophobicContact CZ-CD2 4.06Å; F170-L192 HydrophobicContact CE1-CD1 4.39Å; L192-G194 WeakPolarHBondContact CB-O 3.38Å; L192-G194 PolarHBondContact O-N 3.34Å; L192-P196 HydrophobicContact CD1-CB 3.62Å; L192-P196 HydrophobicContact CD1-CG 3.65Å
193	P	98.4	Very high	98.2	Very high	25 Å²	25	41.6 Å²	41.6	16%	0.162	22%	0.22	C	C	.	.	S	Bend	trans	-70.1	-18.6	-179.1	27.6	-35.1	0	0	0	112.8	Y125 C126 M142 F148	Y125-P193 WeakPolarHBondContact O-CD 3.28Å; C126-P193 HydrophobicContact CB-CG 4.03Å; M142-P193 VanDerWaalsContact SD-CA 3.59Å; M142-P193 HydrophobicContact SD-CB 3.57Å; M142-P193 VanDerWaalsContact SD-CB 3.57Å; M142-P193 VanDerWaalsContact SD-CD 3.53Å; M142-P193 HydrophobicContact SD-CG 4.04Å; M142-P193 VanDerWaalsContact SD-N 3.43Å; F148-P193 VanDerWaalsContact CE1-O 3.31Å; F148-P193 WeakPolarHBondContact CE1-O 3.37Å
194	G	98.6	Very high	98.2	Very high	24 Å²	24	46.2 Å²	46.2	25%	0.247	24%	0.238	C	C	.	.	S	Bend	trans	-150.7	171.9	-179.2	0	0	0	0	0	110.4	C38 L192	C38-G194 CarbonylContact O-C 3.5Å; C38-G194 WeakPolarHBondContact O-CA 3.48Å; L192-G194 WeakPolarHBondContact CB-O 3.38Å; L192-G194 PolarHBondContact O-N 3.34Å
195	A	98.8	Very high	98.2	Very high	13 Å²	13	46 Å²	46	11%	0.107	23%	0.233	C	C	.	.			trans	-59.9	131.7	178.7	0	0	0	0	0	112.1	Y37 C38 H50 A197	Y37-A195 VanDerWaalsContact CD2-CA 3.44Å; Y37-A195 HydrophobicContact CD2-CB 3.65Å; Y37-A195 HydrophobicContact CE2-CB 3.77Å; C38-A195 PolarHBondContact O-N 3.27Å; H50-A195 HydrophobicContact CB-CB 3.55Å; A195-A197 HydrophobicContact CB-CB 4.21Å; A195-A197 PolarHBondContact O-N 3.13Å
196	P	98.6	Very high	98.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.196	C	C	.	.	S	Bend	trans	-75.4	59.1	169.6	31	-34.1	0	0	0	111.3	L35 S54 F57 F170 L192	L35-P196 HydrophobicContact CD1-CG 4.37Å; L35-P196 HydrophobicContact CD2-CG 3.97Å; S54-P196 WeakPolarHBondContact OG-CD 3.38Å; F57-P196 HydrophobicContact CB-CG 4.38Å; F57-P196 HydrophobicContact CD1-CB 3.49Å; F57-P196 VanDerWaalsContact CD1-CB 3.49Å; F57-P196 HydrophobicContact CD1-CG 3.58Å; F57-P196 HydrophobicContact CE1-CB 3.79Å; F57-P196 HydrophobicContact CE1-CG 4.21Å; F57-P196 HydrophobicContact CG-CB 4.04Å; F57-P196 HydrophobicContact CG-CG 4.24Å; F170-P196 HydrophobicContact CB-CB 4.2Å; F170-P196 WeakPolarHBondContact CB-O 3.49Å; F170-P196 HydrophobicContact CD1-CB 3.37Å; F170-P196 HydrophobicContact CD2-CB 4.11Å; F170-P196 HydrophobicContact CE1-CB 3.63Å; F170-P196 HydrophobicContact CE2-CB 4.32Å; F170-P196 HydrophobicContact CG-CB 3.63Å; F170-P196 HydrophobicContact CZ-CB 4.1Å; L192-P196 HydrophobicContact CD1-CB 3.62Å; L192-P196 HydrophobicContact CD1-CG 3.65Å
197	A	98.3	Very high	98.4	Very high	19 Å²	19	33.5 Å²	33.5	16%	0.157	18%	0.181	C	C	.	.	S	Bend	trans	-147	155.7	-171.2	0	0	0	0	0	111.3	H50 A195	H50-A197 HydrophobicContact CB-CB 4.46Å; H50-A197 VanDerWaalsContact O-CB 3.3Å; H50-A197 WeakPolarHBondContact O-CB 3.37Å; A195-A197 HydrophobicContact CB-CB 4.21Å; A195-A197 PolarHBondContact O-N 3.13Å
198	Q	97.9	Very high	98.4	Very high	108 Å²	108	33.1 Å²	33.1	51%	0.505	18%	0.18	S	C	.	.			trans	-85	155.8	170	-62.3	-167.2	26.8	0	0	111.2	P200 L202	Q198-P200 CarbonylContact C-O 3.58Å; Q198-L202 HydrophobicContact CB-CG 4.41Å
199	F	98	Very high	98.4	Very high	55 Å²	55	31.1 Å²	31.1	24%	0.241	17%	0.166	C	C	.	.	S	Bend	trans	-125.7	129.7	165.2	178.8	-98.9	0	0	0	110	M41 N46 D49 M262	M41-F199 HydrophobicContact CE-CB 3.56Å; M41-F199 HydrophobicContact CE-CD1 4.02Å; M41-F199 HydrophobicContact CE-CD2 4.49Å; M41-F199 HydrophobicContact CE-CG 3.76Å; N46-F199 HydrophobicContact CB-CD2 4.47Å; N46-F199 HydrophobicContact CB-CE2 4.34Å; N46-F199 WeakPolarHBondContact ND2-CE1 3.37Å; N46-F199 WeakPolarHBondContact ND2-CE2 3.49Å; N46-F199 WeakPolarHBondContact ND2-CZ 3.38Å; D49-F199 HydrophobicContact CB-CD2 3.92Å; D49-F199 HydrophobicContact CB-CE2 4.27Å; F199-M262 HydrophobicContact CE1-CB 4.22Å; F199-M262 HydrophobicContact CZ-CB 4.47Å
200	P	98.2	Very high	98.4	Very high	29 Å²	29	36.6 Å²	36.6	19%	0.188	19%	0.19	C	C	.	.	S	Bend	cis	-65.3	167.9	-5.7	31.7	-35.9	0	0	0	111.9	Q198 L202 M262 P265	Q198-P200 CarbonylContact C-O 3.58Å; P200-L202 PolarHBondContact O-N 2.49Å; P200-M262 VanDerWaalsContact CD-O 3.28Å; P200-M262 WeakPolarHBondContact CD-O 3.49Å; P200-M262 VanDerWaalsContact CG-O 3.27Å; P200-M262 WeakPolarHBondContact CG-O 3.38Å; P200-P265 HydrophobicContact CG-CG 3.81Å
201	V	98.3	Very high	98.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-56.2	138.3	176.8	66.3	0	0	0	0	110.6	D49 L52 H205 R206 Y270	D49-V201 HydrophobicContact CB-CB 4Å; D49-V201 PolarHBondContact OD2-N 2.67Å; L52-V201 HydrophobicContact CB-CG2 3.91Å; L52-V201 HydrophobicContact CD1-CG2 4.29Å; V201-H205 HydrophobicContact CG2-CB 3.55Å; V201-R206 HydrophobicContact CG1-CG 4.11Å; V201-Y270 VanDerWaalsContact O-CE1 3.26Å; V201-Y270 WeakPolarHBondContact O-CE1 3.41Å; V201-Y270 PolarHBondContact O-OH 3.16Å
202	L	97.8	Very high	98.4	Very high	36 Å²	36	38.8 Å²	38.8	19%	0.188	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-59.2	149.9	175	-67.7	175.4	0	0	0	111.3	Q198 P200 E204 H205 R206	Q198-L202 HydrophobicContact CB-CG 4.41Å; P200-L202 PolarHBondContact O-N 2.49Å; L202-E204 VanDerWaalsContact C-N 3.32Å; L202-E204 HydrophobicContact CB-CG 4.37Å; L202-E204 WeakPolarHBondContact CB-OE2 3.5Å; L202-E204 WeakPolarHBondContact CD1-OE1 3.45Å; L202-E204 PolarHBondContact O-N 2.78Å; L202-H205 PolarHBondContact O-N 3.24Å; L202-R206 PolarHBondContact O-N 3.01Å
203	E	97	Very high	98.4	Very high	77 Å²	77	41.2 Å²	41.2	36%	0.36	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-58.2	-45.6	-174.5	-171.7	162.2	-148	0	0	111.5	H205 R206 Y270 L384	E203-H205 PolarHBondContact O-N 2.89Å; E203-H205 VanDerWaalsContact O-N 3.17Å; E203-R206 WeakPolarHBondContact O-CB 3.16Å; E203-R206 WeakPolarHBondContact O-CG 3.45Å; E203-R206 PolarHBondContact O-N 3.34Å; E203-R206 VanDerWaalsContact O-N 3.08Å; E203-Y270 HydrophobicContact CB-CD1 4.1Å; E203-Y270 HydrophobicContact CB-CD2 3.68Å; E203-Y270 HydrophobicContact CB-CE1 4.14Å; E203-Y270 HydrophobicContact CB-CE2 3.75Å; E203-Y270 HydrophobicContact CB-CG 3.87Å; E203-Y270 HydrophobicContact CG-CD2 3.84Å; E203-Y270 HydrophobicContact CG-CE2 3.93Å; E203-Y270 HydrophobicContact CG-CG 4.44Å; E203-L384 WeakPolarHBondContact OE1-CD2 3.38Å
204	E	97.5	Very high	98.4	Very high	123 Å²	123	40.9 Å²	40.9	58%	0.575	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-63.9	-18.7	178.1	65.4	-90.3	-152.2	0	0	113.8	L202	L202-E204 VanDerWaalsContact C-N 3.32Å; L202-E204 HydrophobicContact CB-CG 4.37Å; L202-E204 WeakPolarHBondContact CB-OE2 3.5Å; L202-E204 WeakPolarHBondContact CD1-OE1 3.45Å; L202-E204 PolarHBondContact O-N 2.78Å
205	H	98.6	Very high	98.4	Very high	41 Å²	41	40.3 Å²	40.3	19%	0.19	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-96.1	-9.8	178.1	-63.3	161.5	0	0	0	112.7	A56 V201 L202 E203 P207 L208	A56-H205 WeakPolarHBondContact CB-NE2 3.31Å; V201-H205 HydrophobicContact CG2-CB 3.55Å; L202-H205 PolarHBondContact O-N 3.24Å; E203-H205 PolarHBondContact O-N 2.89Å; E203-H205 VanDerWaalsContact O-N 3.17Å; H205-P207 VanDerWaalsContact C-CD 3.48Å; H205-L208 HydrophobicContact CB-CD1 4.19Å; H205-L208 VanDerWaalsContact O-CB 3.27Å; H205-L208 WeakPolarHBondContact O-CB 3.16Å; H205-L208 WeakPolarHBondContact O-CG 3.35Å; H205-L208 PolarHBondContact O-N 3.27Å; H205-L208 VanDerWaalsContact O-N 3.12Å
206	R	98.6	Very high	98.4	Very high	24 Å²	24	44.5 Å²	44.5	9%	0.091	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-56.9	-42	176.5	-61.3	174.9	75.1	-104.8	1.5	112.9	V201 L202 E203 L208 Q209 Y270 R364 D367 L384	V201-R206 HydrophobicContact CG1-CG 4.11Å; L202-R206 PolarHBondContact O-N 3.01Å; E203-R206 WeakPolarHBondContact O-CB 3.16Å; E203-R206 WeakPolarHBondContact O-CG 3.45Å; E203-R206 PolarHBondContact O-N 3.34Å; E203-R206 VanDerWaalsContact O-N 3.08Å; R206-L208 PolarHBondContact O-N 3.18Å; R206-L208 VanDerWaalsContact O-N 3.1Å; R206-Q209 WeakPolarHBondContact O-CB 3.43Å; R206-Q209 PolarHBondContact O-N 3.31Å; R206-Q209 VanDerWaalsContact O-N 3.15Å; R206-Y270 WeakPolarHBondContact CD-OH 3.41Å; R206-R364 HydrophobicContact CB-CG 4.15Å; R206-R364 HydrophobicContact CG-CG 4.42Å; R206-D367 IonicContact CZ-OD2 3.39Å; R206-D367 IonicContact NH1-OD2 2.67Å; R206-D367 IonicContact NH2-OD2 3.01Å; R206-D367 PolarHBondContact NH2-OD2 3.3Å; R206-L384 VanDerWaalsContact CZ-CD1 3.49Å
207	P	98.6	Very high	98.4	Very high	48 Å²	48	48.2 Å²	48.2	31%	0.312	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-63.5	-16.1	179.3	-23.9	36	0	0	0	114.3	H205 Q209 K210 L368	H205-P207 VanDerWaalsContact C-CD 3.48Å; P207-Q209 PolarHBondContact O-N 3.42Å; P207-K210 VanDerWaalsContact O-CG 3.25Å; P207-K210 WeakPolarHBondContact O-CG 3.29Å; P207-K210 PolarHBondContact O-N 3.15Å; P207-K210 VanDerWaalsContact O-N 3.17Å; P207-L368 HydrophobicContact CB-CD2 4.49Å
208	L	98.8	Very high	98.4	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.068	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-65.6	-15.7	176.2	-57.2	-175.7	0	0	0	112.9	L52 A56 Y99 H205 R206 K210 Y211	L52-L208 HydrophobicContact CD2-CB 4.01Å; L52-L208 WeakPolarHBondContact O-CD1 3.27Å; A56-L208 HydrophobicContact CB-CD1 3.85Å; Y99-L208 HydrophobicContact CD2-CD2 3.78Å; Y99-L208 HydrophobicContact CE1-CD1 4.31Å; Y99-L208 HydrophobicContact CE1-CD2 4.29Å; Y99-L208 HydrophobicContact CE2-CD2 3.27Å; Y99-L208 HydrophobicContact CG-CD2 4.44Å; H205-L208 HydrophobicContact CB-CD1 4.19Å; H205-L208 VanDerWaalsContact O-CB 3.27Å; H205-L208 WeakPolarHBondContact O-CB 3.16Å; H205-L208 WeakPolarHBondContact O-CG 3.35Å; H205-L208 PolarHBondContact O-N 3.27Å; H205-L208 VanDerWaalsContact O-N 3.12Å; R206-L208 PolarHBondContact O-N 3.18Å; R206-L208 VanDerWaalsContact O-N 3.1Å; L208-K210 PolarHBondContact O-N 3.47Å; L208-Y211 HydrophobicContact CB-CD2 4.41Å; L208-Y211 HydrophobicContact CD2-CD2 4.19Å; L208-Y211 HydrophobicContact CD2-CE2 3.85Å; L208-Y211 WeakPolarHBondContact O-CD2 3.36Å; L208-Y211 PolarHBondContact O-N 3.46Å
209	Q	98.8	Very high	98.5	Very high	6 Å²	6	45 Å²	45	3%	0.028	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-52.7	-26.6	170.3	-172.5	74.6	40.8	0	0	112.2	L52 R206 P207 Y211 M212 R364 L368	L52-Q209 HydrophobicContact CD1-CB 4.42Å; R206-Q209 WeakPolarHBondContact O-CB 3.43Å; R206-Q209 PolarHBondContact O-N 3.31Å; R206-Q209 VanDerWaalsContact O-N 3.15Å; P207-Q209 PolarHBondContact O-N 3.42Å; Q209-Y211 PolarHBondContact O-N 3.11Å; Q209-Y211 VanDerWaalsContact O-N 3.14Å; Q209-M212 WeakPolarHBondContact O-CB 3.4Å; Q209-M212 PolarHBondContact O-N 3.34Å; Q209-R364 HydrophobicContact CB-CB 3.84Å; Q209-R364 HydrophobicContact CG-CB 3.7Å; Q209-L368 HydrophobicContact CB-CD1 3.78Å; Q209-L368 HydrophobicContact CG-CD1 4.25Å
210	K	98.8	Very high	98.5	Very high	118 Å²	118	50 Å²	50	51%	0.513	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-61.2	-22.2	177.8	76.6	-172.1	-179	175.8	0	114.2	P207 L208 L368	P207-K210 VanDerWaalsContact O-CG 3.25Å; P207-K210 WeakPolarHBondContact O-CG 3.29Å; P207-K210 PolarHBondContact O-N 3.15Å; P207-K210 VanDerWaalsContact O-N 3.17Å; L208-K210 PolarHBondContact O-N 3.47Å; K210-L368 HydrophobicContact CB-CD1 3.71Å; K210-L368 HydrophobicContact CB-CD2 4.22Å
211	Y	98.9	Very high	98.6	Very high	40 Å²	40	50.9 Å²	50.9	16%	0.157	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-87.9	-12.3	177.4	-55.7	-71.8	0	0	0	112.6	P95 L96 A98 Y99 L208 Q209 V213	P95-Y211 WeakPolarHBondContact O-CD1 3.37Å; L96-Y211 WeakPolarHBondContact CD2-O 3.27Å; A98-Y211 HydrophobicContact CB-CD1 4.31Å; A98-Y211 HydrophobicContact CB-CE1 4Å; Y99-Y211 HydrophobicContact CD2-CD2 4.14Å; Y99-Y211 AromaticContact CD2-CE2 3.37Å; Y99-Y211 HydrophobicContact CD2-CE2 3.37Å; Y99-Y211 AromaticContact CD2-CZ 3.71Å; Y99-Y211 HydrophobicContact CE2-CE2 4.27Å; Y99-Y211 HydrophobicContact CG-CD2 4.03Å; Y99-Y211 AromaticContact CG-CE2 3.69Å; Y99-Y211 HydrophobicContact CG-CE2 3.69Å; L208-Y211 HydrophobicContact CB-CD2 4.41Å; L208-Y211 HydrophobicContact CD2-CD2 4.19Å; L208-Y211 HydrophobicContact CD2-CE2 3.85Å; L208-Y211 WeakPolarHBondContact O-CD2 3.36Å; L208-Y211 PolarHBondContact O-N 3.46Å; Q209-Y211 PolarHBondContact O-N 3.11Å; Q209-Y211 VanDerWaalsContact O-N 3.14Å; Y211-V213 VanDerWaalsContact C-N 3.31Å; Y211-V213 PolarHBondContact O-N 2.85Å; Y211-V213 VanDerWaalsContact O-N 3.07Å
212	M	98.8	Very high	98.6	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.039	25%	0.246	C	C	.	.			trans	-82.6	76.5	172.4	-63.5	-170.3	73.6	0	0	110.2	F51 L52 W70 Y87 F91 Q209 F361	F51-M212 HydrophobicContact CD1-CE 3.98Å; F51-M212 HydrophobicContact CD1-CG 4.18Å; F51-M212 HydrophobicContact CD1-SD 3.69Å; F51-M212 HydrophobicContact CE1-CE 4.19Å; F51-M212 HydrophobicContact CE1-CG 3.67Å; F51-M212 HydrophobicContact CE1-SD 3.84Å; L52-M212 HydrophobicContact CD2-CG 4.13Å; L52-M212 HydrophobicContact CD2-SD 3.72Å; L52-M212 HydrophobicContact CG-SD 4.45Å; W70-M212 HydrophobicContact CH2-CE 4Å; W70-M212 HydrophobicContact CZ2-CE 4.01Å; Y87-M212 HydrophobicContact CE2-CE 4.31Å; F91-M212 HydrophobicContact CD1-CB 4.22Å; F91-M212 HydrophobicContact CD1-CE 4.43Å; F91-M212 HydrophobicContact CD2-CE 3.94Å; F91-M212 HydrophobicContact CE1-CB 4.42Å; F91-M212 HydrophobicContact CE1-CE 4.18Å; F91-M212 HydrophobicContact CE2-CE 3.66Å; F91-M212 HydrophobicContact CG-CE 4.32Å; F91-M212 HydrophobicContact CZ-CE 3.81Å; Q209-M212 WeakPolarHBondContact O-CB 3.4Å; Q209-M212 PolarHBondContact O-N 3.34Å; M212-F361 HydrophobicContact CE-CE2 3.8Å; M212-F361 HydrophobicContact CE-CZ 4.46Å; M212-F361 HydrophobicContact SD-CE2 4.07Å
213	V	98.9	Very high	98.6	Very high	56 Å²	56	51.4 Å²	51.4	34%	0.339	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-84.1	126.4	179.4	-179.5	0	0	0	0	109.5	F91 K92 P95 Y211	F91-V213 CarbonylContact C-O 3.1Å; F91-V213 WeakPolarHBondContact CA-O 3.28Å; K92-V213 HydrophobicContact CD-CG1 4.11Å; K92-V213 PolarHBondContact N-O 3.06Å; P95-V213 HydrophobicContact CB-CB 4.15Å; P95-V213 HydrophobicContact CB-CG2 3.54Å; P95-V213 HydrophobicContact CG-CB 3.87Å; P95-V213 HydrophobicContact CG-CG1 4.44Å; P95-V213 HydrophobicContact CG-CG2 3.72Å; Y211-V213 VanDerWaalsContact C-N 3.31Å; Y211-V213 PolarHBondContact O-N 2.85Å; Y211-V213 VanDerWaalsContact O-N 3.07Å
214	W	98.9	Very high	98.7	Very high	18 Å²	18	50.3 Å²	50.3	7%	0.068	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-52.7	141.6	176	-68.5	112.8	0	0	0	112.5	F91 K92 M218 V219 Q338 L341 Y342 F361 E365	F91-W214 HydrophobicContact CD1-CD2 4.38Å; F91-W214 AromaticContact CD1-CE3 3.95Å; F91-W214 HydrophobicContact CD1-CE3 3.95Å; F91-W214 HydrophobicContact CD1-CZ3 4.29Å; F91-W214 AromaticContact CE1-CD2 3.85Å; F91-W214 HydrophobicContact CE1-CD2 3.85Å; F91-W214 AromaticContact CE1-CE3 3.38Å; F91-W214 HydrophobicContact CE1-CE3 3.38Å; F91-W214 AromaticContact CE1-CH2 3.85Å; F91-W214 HydrophobicContact CE1-CH2 3.85Å; F91-W214 HydrophobicContact CE1-CZ2 4.28Å; F91-W214 AromaticContact CE1-CZ3 3.36Å; F91-W214 HydrophobicContact CE1-CZ3 3.36Å; F91-W214 HydrophobicContact CZ-CE3 4Å; F91-W214 AromaticContact CZ-CH2 3.88Å; F91-W214 HydrophobicContact CZ-CH2 3.88Å; F91-W214 AromaticContact CZ-CZ3 3.49Å; F91-W214 HydrophobicContact CZ-CZ3 3.49Å; F91-W214 VanDerWaalsContact CZ-CZ3 3.49Å; K92-W214 WeakPolarHBondContact CE-O 3.26Å; W214-M218 HydrophobicContact CB-CB 4.33Å; W214-M218 HydrophobicContact CE3-CB 3.96Å; W214-M218 HydrophobicContact CE3-CE 4.48Å; W214-M218 HydrophobicContact CE3-CG 4.07Å; W214-M218 HydrophobicContact CZ3-CE 4.29Å; W214-M218 HydrophobicContact CZ3-CG 4.48Å; W214-V219 HydrophobicContact CB-CG2 3.82Å; W214-Q338 HydrophobicContact CH2-CB 4.17Å; W214-Q338 HydrophobicContact CZ3-CB 3.92Å; W214-Q338 HydrophobicContact CZ3-CG 4.28Å; W214-L341 HydrophobicContact CH2-CB 3.89Å; W214-L341 HydrophobicContact CH2-CD1 4.42Å; W214-L341 HydrophobicContact CZ2-CB 4.06Å; W214-Y342 HydrophobicContact CB-CD2 4.38Å; W214-Y342 HydrophobicContact CB-CE2 4.37Å; W214-Y342 AromaticContact CD1-CD2 3.66Å; W214-Y342 AromaticContact CD1-CE2 3.87Å; W214-Y342 AromaticContact CD2-CD2 3.92Å; W214-Y342 HydrophobicContact CD2-CD2 3.92Å; W214-Y342 AromaticContact CE2-CD2 3.93Å; W214-Y342 AromaticContact CG-CD2 3.75Å; W214-Y342 HydrophobicContact CG-CD2 3.75Å; W214-Y342 HydrophobicContact CG-CE2 4.06Å; W214-Y342 AromaticContact NE1-CD2 3.79Å; W214-F361 AromaticContact CH2-CE1 3.85Å; W214-F361 HydrophobicContact CH2-CE1 3.85Å; W214-F361 HydrophobicContact CH2-CZ 4.01Å; W214-F361 AromaticContact CZ2-CE1 3.49Å; W214-F361 HydrophobicContact CZ2-CE1 3.49Å; W214-F361 VanDerWaalsContact CZ2-CE1 3.49Å; W214-F361 AromaticContact CZ2-CZ 3.96Å; W214-F361 HydrophobicContact CZ2-CZ 3.96Å; W214-E365 PolarHBondContact NE1-OE2 3.18Å
215	S	98.9	Very high	98.8	Very high	11 Å²	11	47.3 Å²	47.3	8%	0.077	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65.3	156.3	172.4	72.4	0	0	0	0	110.8	K89 Y90 E217 M218 V219	K89-S215 PolarHBondContact O-OG 3.24Å; Y90-S215 PolarHBondContact O-N 3.39Å; S215-E217 PolarHBondContact O-N 2.91Å; S215-M218 PolarHBondContact O-N 3.38Å; S215-M218 WeakPolarHBondContact OG-CG 3.45Å; S215-M218 PolarHBondContact OG-N 2.76Å; S215-V219 WeakPolarHBondContact O-CG2 3.13Å; S215-V219 PolarHBondContact O-N 3.02Å
216	D	98.8	Very high	98.8	Very high	102 Å²	102	45.7 Å²	45.7	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-62.4	-31.4	-179.6	-62.3	-46	0	0	0	112.2	K92 R220	K92-D216 WeakPolarHBondContact CE-OD1 3.23Å; K92-D216 IonicContact NZ-OD1 3.66Å; K92-D216 PolarHBondContact NZ-OD1 3.46Å; K92-D216 IonicContact NZ-OD2 2.74Å; D216-R220 VanDerWaalsContact O-CB 3.24Å; D216-R220 WeakPolarHBondContact O-CB 3.38Å; D216-R220 PolarHBondContact O-N 3.1Å
217	E	98.6	Very high	98.8	Very high	78 Å²	78	51.5 Å²	51.5	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-44.1	173.1	-174.6	-175.6	169.7	0	0	111.6	K89 S215 R220 T221	K89-E217 IonicContact NZ-OE1 2.92Å; K89-E217 PolarHBondContact NZ-OE1 3.27Å; K89-E217 IonicContact NZ-OE2 3.2Å; K89-E217 PolarHBondContact NZ-OE2 2.91Å; S215-E217 PolarHBondContact O-N 2.91Å; E217-R220 PolarHBondContact O-N 2.87Å; E217-T221 VanDerWaalsContact O-CB 3.23Å; E217-T221 WeakPolarHBondContact O-CB 3.46Å; E217-T221 PolarHBondContact O-N 3Å; E217-T221 PolarHBondContact O-OG1 3.42Å
218	M	98.8	Very high	98.8	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.039	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-44.2	178.4	-75.4	-54.8	-52.1	0	0	111.7	Y90 W214 S215 T221 G222 Q338 V339	Y90-M218 HydrophobicContact CD1-CG 4.24Å; Y90-M218 HydrophobicContact CD1-SD 3.91Å; Y90-M218 HydrophobicContact CE1-SD 4.49Å; W214-M218 HydrophobicContact CB-CB 4.33Å; W214-M218 HydrophobicContact CE3-CB 3.96Å; W214-M218 HydrophobicContact CE3-CE 4.48Å; W214-M218 HydrophobicContact CE3-CG 4.07Å; W214-M218 HydrophobicContact CZ3-CE 4.29Å; W214-M218 HydrophobicContact CZ3-CG 4.48Å; S215-M218 PolarHBondContact O-N 3.38Å; S215-M218 WeakPolarHBondContact OG-CG 3.45Å; S215-M218 PolarHBondContact OG-N 2.76Å; M218-T221 PolarHBondContact O-N 2.8Å; M218-G222 PolarHBondContact O-N 3.2Å; M218-Q338 VanDerWaalsContact CE-C 3.45Å; M218-Q338 HydrophobicContact CE-CB 3.7Å; M218-Q338 WeakPolarHBondContact CE-O 3.06Å; M218-Q338 HydrophobicContact SD-CB 4.34Å; M218-V339 HydrophobicContact CE-CG2 3.93Å
219	V	98.9	Very high	98.8	Very high	53 Å²	53	54.9 Å²	54.9	32%	0.321	28%	0.281	S	S	.	.	H	α-helix	trans	-58.6	-54.4	174.7	174.2	0	0	0	0	110.2	W214 S215 T221 G222 E223 Y342	W214-V219 HydrophobicContact CB-CG2 3.82Å; S215-V219 WeakPolarHBondContact O-CG2 3.13Å; S215-V219 PolarHBondContact O-N 3.02Å; V219-T221 VanDerWaalsContact C-N 3.34Å; V219-T221 PolarHBondContact O-N 2.71Å; V219-G222 PolarHBondContact O-N 3.09Å; V219-E223 HydrophobicContact CG1-CG 4.31Å; V219-E223 WeakPolarHBondContact O-CB 3.49Å; V219-E223 WeakPolarHBondContact O-CG 3.36Å; V219-E223 PolarHBondContact O-N 3.24Å; V219-Y342 HydrophobicContact CB-CE2 4.32Å; V219-Y342 HydrophobicContact CG2-CE2 3.97Å
220	R	98.8	Very high	98.8	Very high	160 Å²	160	55.4 Å²	55.4	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-58.8	-44.8	-178.8	-178	178.6	62.6	-117.7	-0.8	112.1	D216 E217 A224	D216-R220 VanDerWaalsContact O-CB 3.24Å; D216-R220 WeakPolarHBondContact O-CB 3.38Å; D216-R220 PolarHBondContact O-N 3.1Å; E217-R220 PolarHBondContact O-N 2.87Å; R220-A224 VanDerWaalsContact O-CB 3.29Å; R220-A224 WeakPolarHBondContact O-CB 3.26Å; R220-A224 PolarHBondContact O-N 3.17Å
221	T	98.7	Very high	98.7	Very high	46 Å²	46	53.5 Å²	53.5	28%	0.282	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-49.7	-178.9	-58.1	0	0	0	0	110.8	E217 M218 V219 A224 Q225 V339	E217-T221 VanDerWaalsContact O-CB 3.23Å; E217-T221 WeakPolarHBondContact O-CB 3.46Å; E217-T221 PolarHBondContact O-N 3Å; E217-T221 PolarHBondContact O-OG1 3.42Å; M218-T221 PolarHBondContact O-N 2.8Å; V219-T221 VanDerWaalsContact C-N 3.34Å; V219-T221 PolarHBondContact O-N 2.71Å; T221-A224 PolarHBondContact O-N 3.16Å; T221-Q225 WeakPolarHBondContact O-CG 3.37Å; T221-Q225 PolarHBondContact O-N 3.33Å; T221-Q225 VanDerWaalsContact O-N 3.07Å; T221-V339 HydrophobicContact CG2-CG2 4.26Å
222	G	98.8	Very high	98.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-46.3	-179.1	0	0	0	0	0	112.6	M218 V219 A224 Q225 I226 Y342	M218-G222 PolarHBondContact O-N 3.2Å; V219-G222 PolarHBondContact O-N 3.09Å; G222-A224 VanDerWaalsContact C-N 3.33Å; G222-A224 PolarHBondContact O-N 3.01Å; G222-Q225 PolarHBondContact O-N 3.08Å; G222-I226 WeakPolarHBondContact O-CG1 3.19Å; G222-I226 PolarHBondContact O-N 3.48Å; G222-Y342 VanDerWaalsContact CA-CD1 3.45Å
223	E	98.8	Very high	98.7	Very high	49 Å²	49	58.4 Å²	58.4	23%	0.229	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-42.1	175	-70.8	-52.6	135.5	0	0	111.7	V219 Q225 I226 H227 Y342	V219-E223 HydrophobicContact CG1-CG 4.31Å; V219-E223 WeakPolarHBondContact O-CB 3.49Å; V219-E223 WeakPolarHBondContact O-CG 3.36Å; V219-E223 PolarHBondContact O-N 3.24Å; E223-Q225 VanDerWaalsContact C-N 3.31Å; E223-Q225 PolarHBondContact O-N 3.43Å; E223-I226 PolarHBondContact O-N 3.34Å; E223-H227 PolarHBondContact O-N 3.27Å; E223-H227 PolarHBondContact O-ND1 2.97Å; E223-H227 IonicContact OE2-CE1 3.29Å; E223-Y342 HydrophobicContact CG-CE1 4.25Å; E223-Y342 WeakPolarHBondContact CG-OH 3.41Å; E223-Y342 VanDerWaalsContact OE1-CE1 3.31Å; E223-Y342 WeakPolarHBondContact OE1-CE1 3.33Å; E223-Y342 PolarHBondContact OE1-OH 2.86Å
224	A	98.8	Very high	98.7	Very high	54 Å²	54	55.7 Å²	55.7	45%	0.446	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-41.2	177	0	0	0	0	0	112.2	R220 T221 G222 H227 A228	R220-A224 VanDerWaalsContact O-CB 3.29Å; R220-A224 WeakPolarHBondContact O-CB 3.26Å; R220-A224 PolarHBondContact O-N 3.17Å; T221-A224 PolarHBondContact O-N 3.16Å; G222-A224 VanDerWaalsContact C-N 3.33Å; G222-A224 PolarHBondContact O-N 3.01Å; A224-H227 PolarHBondContact O-N 3.23Å; A224-A228 VanDerWaalsContact O-CB 3.27Å; A224-A228 WeakPolarHBondContact O-CB 3.38Å; A224-A228 PolarHBondContact O-N 3.32Å
225	Q	98.7	Very high	98.7	Very high	60 Å²	60	54.9 Å²	54.9	28%	0.28	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-41.1	175.8	-65.7	-58.2	-37.2	0	0	112.1	T221 G222 E223 A228 H229 L332 V339 I343	T221-Q225 WeakPolarHBondContact O-CG 3.37Å; T221-Q225 PolarHBondContact O-N 3.33Å; T221-Q225 VanDerWaalsContact O-N 3.07Å; G222-Q225 PolarHBondContact O-N 3.08Å; E223-Q225 VanDerWaalsContact C-N 3.31Å; E223-Q225 PolarHBondContact O-N 3.43Å; Q225-A228 PolarHBondContact O-N 2.77Å; Q225-H229 WeakPolarHBondContact O-CB 3.33Å; Q225-H229 PolarHBondContact O-CD2 3.24Å; Q225-H229 PolarHBondContact O-N 3.47Å; Q225-H229 PolarHBondContact OE1-CD2 3.04Å; Q225-H229 PolarHBondContact OE1-NE2 3.22Å; Q225-L332 HydrophobicContact CB-CD1 3.94Å; Q225-L332 HydrophobicContact CG-CD1 4.17Å; Q225-V339 HydrophobicContact CG-CG1 4.42Å; Q225-I343 HydrophobicContact CB-CD1 3.84Å
226	I	98.8	Very high	98.7	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-52.2	176	-66.5	165.8	0	0	0	109.9	G222 E223 A228 H229 L230 Y234 Y342 I343 Q346	G222-I226 WeakPolarHBondContact O-CG1 3.19Å; G222-I226 PolarHBondContact O-N 3.48Å; E223-I226 PolarHBondContact O-N 3.34Å; I226-A228 VanDerWaalsContact C-N 3.33Å; I226-A228 PolarHBondContact O-N 2.77Å; I226-H229 PolarHBondContact O-N 3.37Å; I226-L230 HydrophobicContact CG1-CD1 4.34Å; I226-L230 HydrophobicContact CG2-CB 4.45Å; I226-L230 WeakPolarHBondContact O-CA 3.21Å; I226-L230 WeakPolarHBondContact O-CB 3.31Å; I226-L230 PolarHBondContact O-N 3.23Å; I226-Y234 HydrophobicContact CG2-CE1 4.2Å; I226-Y342 HydrophobicContact CD1-CD1 4.48Å; I226-Y342 HydrophobicContact CD1-CE1 4.19Å; I226-I343 HydrophobicContact CD1-CG1 4.46Å; I226-I343 HydrophobicContact CG1-CB 4.49Å; I226-I343 HydrophobicContact CG1-CG1 4.06Å; I226-I343 HydrophobicContact CG1-CG2 4.1Å; I226-Q346 HydrophobicContact CD1-CB 3.63Å; I226-Q346 HydrophobicContact CD1-CG 3.85Å
227	H	98.6	Very high	98.7	Very high	145 Å²	145	49.5 Å²	49.5	67%	0.671	26%	0.256	S	S	*	.	H	α-helix	trans	-62.5	-37.6	-178.8	-70.5	101	0	0	0	113.1	E223 A224	E223-H227 PolarHBondContact O-N 3.27Å; E223-H227 PolarHBondContact O-ND1 2.97Å; E223-H227 IonicContact OE2-CE1 3.29Å; A224-H227 PolarHBondContact O-N 3.23Å
228	A	98.6	Very high	98.8	Very high	66 Å²	66	46 Å²	46	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-74.7	-35.2	-178.4	0	0	0	0	0	112.9	A224 Q225 I226	A224-A228 VanDerWaalsContact O-CB 3.27Å; A224-A228 WeakPolarHBondContact O-CB 3.38Å; A224-A228 PolarHBondContact O-N 3.32Å; Q225-A228 PolarHBondContact O-N 2.77Å; I226-A228 VanDerWaalsContact C-N 3.33Å; I226-A228 PolarHBondContact O-N 2.77Å
229	H	98.6	Very high	98.8	Very high	67 Å²	67	45.7 Å²	45.7	31%	0.31	24%	0.239	S	C	.	.	H	α-helix	trans	-115.5	-24.5	-166.2	-61.7	-69.4	0	0	0	114.9	Q225 I226 K328 V330	Q225-H229 WeakPolarHBondContact O-CB 3.33Å; Q225-H229 PolarHBondContact O-CD2 3.24Å; Q225-H229 PolarHBondContact O-N 3.47Å; Q225-H229 PolarHBondContact OE1-CD2 3.04Å; Q225-H229 PolarHBondContact OE1-NE2 3.22Å; I226-H229 PolarHBondContact O-N 3.37Å; H229-K328 WeakPolarHBondContact O-CD 3.37Å; H229-K328 WeakPolarHBondContact O-CE 3.27Å; H229-K328 PolarHBondContact O-NZ 2.91Å; H229-V330 HydrophobicContact CB-CG1 4.02Å
230	L	98.8	Very high	98.7	Very high	17 Å²	17	44 Å²	44	9%	0.089	23%	0.226	C	C	.	.			trans	-115	151.1	-170.8	-60	174.7	0	0	0	112.1	I226 Y234 Y307 V330 I343	I226-L230 HydrophobicContact CG1-CD1 4.34Å; I226-L230 HydrophobicContact CG2-CB 4.45Å; I226-L230 WeakPolarHBondContact O-CA 3.21Å; I226-L230 WeakPolarHBondContact O-CB 3.31Å; I226-L230 PolarHBondContact O-N 3.23Å; L230-Y234 HydrophobicContact CB-CD1 4.39Å; L230-Y234 HydrophobicContact CD1-CD1 4.24Å; L230-Y234 HydrophobicContact CD1-CD2 3.9Å; L230-Y234 HydrophobicContact CD1-CE1 4.13Å; L230-Y234 HydrophobicContact CD1-CE2 3.78Å; L230-Y234 HydrophobicContact CD1-CG 4.13Å; L230-Y307 HydrophobicContact CD1-CD2 3.91Å; L230-Y307 HydrophobicContact CD1-CG 4.2Å; L230-Y307 HydrophobicContact CD2-CD2 4.15Å; L230-Y307 HydrophobicContact CG-CD2 4.44Å; L230-V330 HydrophobicContact CD2-CB 3.96Å; L230-V330 HydrophobicContact CD2-CG2 3.91Å; L230-I343 HydrophobicContact CD1-CG2 3.82Å
231	V	98.5	Very high	98.7	Very high	77 Å²	77	36.7 Å²	36.7	47%	0.467	20%	0.199	S	C	.	.			trans	-122.1	125.1	172.9	-176.6	0	0	0	0	107.2	P233 Q304 S305	V231-P233 CarbonylContact O-C 3.46Å; V231-Q304 HydrophobicContact CB-CB 3.88Å; V231-Q304 HydrophobicContact CG1-CB 3.69Å; V231-Q304 HydrophobicContact CG1-CG 4.1Å; V231-S305 PolarHBondContact N-OG 2.91Å; V231-S305 PolarHBondContact O-OG 2.98Å
232	R	98.6	Very high	98.5	Very high	105 Å²	105	34.7 Å²	34.7	40%	0.396	19%	0.188	S	C	.	.	S	Bend	trans	-76.5	151	178.4	-73.7	-172.1	-178.6	-82.2	3.4	111.8	Y234 Q346 D348	R232-Y234 HydrophobicContact CG-CD1 3.92Å; R232-Y234 HydrophobicContact CG-CE1 4.38Å; R232-Q346 PolarHBondContact NH1-O 3.13Å; R232-Q346 PolarHBondContact NH2-O 2.6Å; R232-D348 IonicContact CZ-OD2 2.86Å; R232-D348 VanDerWaalsContact NH1-CG 3.29Å; R232-D348 IonicContact NH1-OD1 3.4Å; R232-D348 PolarHBondContact NH1-OD1 2.9Å; R232-D348 IonicContact NH1-OD2 3.14Å; R232-D348 PolarHBondContact NH1-OD2 3.37Å
233	P	98.7	Very high	98.2	Very high	46 Å²	46	39.2 Å²	39.2	30%	0.299	22%	0.22	S	C	.	.	S	Bend	cis	-66.9	143.1	-8.1	-18.7	32.8	0	0	0	111.5	V231 L301 A303 Q304 D348	V231-P233 CarbonylContact O-C 3.46Å; P233-L301 HydrophobicContact CB-CB 4.38Å; P233-L301 HydrophobicContact CB-CD2 4.29Å; P233-A303 CarbonylContact O-C 3.49Å; P233-A303 VanDerWaalsContact O-CA 3.24Å; P233-A303 WeakPolarHBondContact O-CA 3.21Å; P233-A303 WeakPolarHBondContact O-CB 3.31Å; P233-Q304 PolarHBondContact O-N 3.48Å; P233-D348 VanDerWaalsContact CA-OD2 3.26Å; P233-D348 WeakPolarHBondContact CA-OD2 3.25Å; P233-D348 HydrophobicContact CB-CB 3.96Å
234	Y	98.9	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.7	173.8	78.9	-92.2	0	0	0	113.4	I226 L230 R232 S305 I343 Q346 A347 D348 H349	I226-Y234 HydrophobicContact CG2-CE1 4.2Å; L230-Y234 HydrophobicContact CB-CD1 4.39Å; L230-Y234 HydrophobicContact CD1-CD1 4.24Å; L230-Y234 HydrophobicContact CD1-CD2 3.9Å; L230-Y234 HydrophobicContact CD1-CE1 4.13Å; L230-Y234 HydrophobicContact CD1-CE2 3.78Å; L230-Y234 HydrophobicContact CD1-CG 4.13Å; R232-Y234 HydrophobicContact CG-CD1 3.92Å; R232-Y234 HydrophobicContact CG-CE1 4.38Å; Y234-S305 WeakPolarHBondContact CA-O 3.47Å; Y234-S305 WeakPolarHBondContact CB-O 3.47Å; Y234-S305 VanDerWaalsContact CB-OG 3.22Å; Y234-S305 WeakPolarHBondContact CB-OG 3.45Å; Y234-I343 HydrophobicContact CE2-CG2 4.24Å; Y234-I343 PolarHBondContact OH-O 2.78Å; Y234-Q346 WeakPolarHBondContact OH-CB 3.21Å; Y234-Q346 PolarHBondContact OH-O 2.64Å; Y234-A347 HydrophobicContact CD2-CB 3.95Å; Y234-A347 VanDerWaalsContact CE2-CA 3.44Å; Y234-A347 HydrophobicContact CE2-CB 3.43Å; Y234-A347 VanDerWaalsContact CE2-CB 3.43Å; Y234-A347 WeakPolarHBondContact OH-CA 3.44Å; Y234-A347 PolarHBondContact OH-N 2.92Å; Y234-A347 VanDerWaalsContact OH-N 3.16Å; Y234-D348 PolarHBondContact N-OD2 3.41Å; Y234-D348 PolarHBondContact O-N 3.27Å; Y234-H349 PolarHBondContact O-N 3.03Å
235	V	98.9	Very high	97.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.3	172.6	-178.2	0	0	0	0	108.6	I237 W297 V298 A303 S305 V306 Y307 H349 I351	V235-I237 HydrophobicContact CG1-CG2 4.02Å; V235-W297 HydrophobicContact CG1-CB 4.33Å; V235-W297 HydrophobicContact CG2-CB 4.17Å; V235-V298 HydrophobicContact CB-CG2 4.47Å; V235-V298 HydrophobicContact CG2-CG2 3.96Å; V235-A303 HydrophobicContact CG2-CB 3.94Å; V235-S305 PolarHBondContact N-O 2.86Å; V235-S305 VanDerWaalsContact N-O 3.09Å; V235-V306 HydrophobicContact CB-CG2 4.46Å; V235-V306 CarbonylContact O-C 3.42Å; V235-V306 VanDerWaalsContact O-CA 3.27Å; V235-V306 WeakPolarHBondContact O-CA 3.39Å; V235-Y307 PolarHBondContact O-N 2.04Å; V235-H349 CarbonylContact C-O 3.56Å; V235-H349 WeakPolarHBondContact CA-O 3.29Å; V235-H349 HydrophobicContact CG2-CB 4.49Å; V235-I351 HydrophobicContact CG1-CD1 3.87Å; V235-I351 HydrophobicContact CG1-CG1 3.97Å
236	G	98.9	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133	169.9	0	0	0	0	0	110.3	Y307 H349 F350 I351	G236-Y307 CarbonylContact C-O 3.53Å; G236-Y307 WeakPolarHBondContact CA-O 3.38Å; G236-H349 PolarHBondContact N-O 3.11Å; G236-F350 CarbonylContact O-C 3.54Å; G236-F350 VanDerWaalsContact O-CA 3.32Å; G236-F350 WeakPolarHBondContact O-CA 3.27Å; G236-F350 WeakPolarHBondContact O-CD2 3.42Å; G236-I351 PolarHBondContact O-N 3.34Å
237	I	98.9	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.6	174.3	72.5	178.7	0	0	0	111.5	V235 L239 I290 V294 V306 Y307 V308 A309 L319 I351 F376	V235-I237 HydrophobicContact CG1-CG2 4.02Å; I237-L239 HydrophobicContact CD1-CD1 4.37Å; I237-L239 HydrophobicContact CD1-CD2 3.96Å; I237-L239 HydrophobicContact CD1-CG 4.15Å; I237-L239 HydrophobicContact CG1-CD2 4.37Å; I237-L239 HydrophobicContact CG1-CG 4.33Å; I237-I290 HydrophobicContact CD1-CG2 4.42Å; I237-V294 HydrophobicContact CD1-CG2 3.9Å; I237-V294 HydrophobicContact CG2-CG2 3.96Å; I237-V306 HydrophobicContact CD1-CG1 4.48Å; I237-Y307 PolarHBondContact N-O 3.32Å; I237-V308 HydrophobicContact CD1-CB 4.43Å; I237-V308 HydrophobicContact CD1-CG1 4.12Å; I237-V308 HydrophobicContact CD1-CG2 3.84Å; I237-V308 HydrophobicContact CG1-CB 4.16Å; I237-V308 HydrophobicContact CG1-CG1 3.99Å; I237-V308 HydrophobicContact CG1-CG2 3.95Å; I237-A309 PolarHBondContact O-N 3.2Å; I237-L319 HydrophobicContact CD1-CD1 4.14Å; I237-I351 WeakPolarHBondContact CA-O 3.38Å; I237-I351 HydrophobicContact CB-CB 4.43Å; I237-I351 HydrophobicContact CG2-CB 3.87Å; I237-I351 HydrophobicContact CG2-CD1 3.85Å; I237-I351 HydrophobicContact CG2-CG1 4.02Å; I237-F376 HydrophobicContact CB-CZ 4.12Å; I237-F376 HydrophobicContact CD1-CZ 4.5Å; I237-F376 HydrophobicContact CG2-CZ 4.42Å
238	H	98.9	Very high	96.7	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	109.1	172	174	-135.3	0	0	0	110.9	A309 L344 F350 I351 S356 F358 T359	H238-A309 WeakPolarHBondContact CA-O 3.26Å; H238-L344 HydrophobicContact CB-CD1 4.04Å; H238-F350 HydrophobicContact CB-CE2 3.88Å; H238-F350 HydrophobicContact CB-CZ 4.09Å; H238-I351 PolarHBondContact N-O 2.8Å; H238-S356 PolarHBondContact CE1-OG 3.07Å; H238-F358 AromaticContact CD2-CD1 3.88Å; H238-F358 AromaticContact CE1-CD1 3.66Å; H238-F358 AromaticContact NE2-CD1 3.53Å; H238-T359 PolarHBondContact ND1-OG1 3.2Å
239	L	98.8	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	108.2	175.2	-56.9	-174.8	0	0	0	109.7	I237 I241 I290 V308 A309 T310 D311 Y315 F376	I237-L239 HydrophobicContact CD1-CD1 4.37Å; I237-L239 HydrophobicContact CD1-CD2 3.96Å; I237-L239 HydrophobicContact CD1-CG 4.15Å; I237-L239 HydrophobicContact CG1-CD2 4.37Å; I237-L239 HydrophobicContact CG1-CG 4.33Å; L239-I241 HydrophobicContact CB-CD1 4.15Å; L239-I241 HydrophobicContact CB-CG1 4.17Å; L239-I241 HydrophobicContact CD1-CD1 4.28Å; L239-I290 HydrophobicContact CD2-CD1 3.87Å; L239-I290 HydrophobicContact CD2-CG1 4.05Å; L239-I290 HydrophobicContact CD2-CG2 4.13Å; L239-V308 HydrophobicContact CD1-CG1 3.56Å; L239-V308 HydrophobicContact CG-CG1 3.93Å; L239-A309 PolarHBondContact N-O 2.81Å; L239-T310 WeakPolarHBondContact O-CA 3.46Å; L239-T310 PolarHBondContact O-OG1 2.86Å; L239-D311 PolarHBondContact O-N 2.6Å; L239-D311 VanDerWaalsContact O-N 3.13Å; L239-Y315 HydrophobicContact CD1-CD2 4.28Å; L239-F376 HydrophobicContact CD2-CE2 3.88Å; L239-F376 HydrophobicContact CD2-CZ 3.76Å
240	R	98.3	Very high	96.2	Very high	18 Å²	18	35.7 Å²	35.7	7%	0.068	20%	0.196	C	C	.	.			trans	-106.6	84.3	169.9	-169.8	74.3	177.9	110.3	14.3	108.1	D244 W245 D311 N353	R240-D244 IonicContact CZ-OD1 2.85Å; R240-D244 IonicContact CZ-OD2 3.81Å; R240-D244 IonicContact NH1-OD1 2.77Å; R240-D244 PolarHBondContact NH1-OD1 3.07Å; R240-D244 IonicContact NH1-OD2 2.74Å; R240-D244 PolarHBondContact NH1-OD2 3.48Å; R240-D244 IonicContact NH2-OD1 2.88Å; R240-D244 PolarHBondContact NH2-OD1 3.35Å; R240-D244 IonicContact NH2-OD2 2.85Å; R240-D244 PolarHBondContact NH2-OD2 2.98Å; R240-W245 HydrophobicContact CG-CB 4.26Å; R240-W245 HydrophobicContact CG-CD2 3.49Å; R240-W245 VanDerWaalsContact CG-CD2 3.49Å; R240-W245 VanDerWaalsContact CG-CE2 3.5Å; R240-W245 HydrophobicContact CG-CE3 4.1Å; R240-W245 HydrophobicContact CG-CG 3.59Å; R240-W245 HydrophobicContact CG-CZ2 4.03Å; R240-W245 VanDerWaalsContact NH2-CE3 3.3Å; R240-W245 PolarHBondContact O-NE1 2.72Å; R240-D311 WeakPolarHBondContact CA-OD2 3.17Å; R240-D311 VanDerWaalsContact CD-OD2 3.23Å; R240-D311 WeakPolarHBondContact CD-OD2 3.31Å; R240-D311 IonicContact CZ-OD2 2.73Å; R240-D311 IonicContact NE-OD2 3.46Å; R240-D311 VanDerWaalsContact NH1-CB 3.33Å; R240-D311 IonicContact NH1-OD2 3.83Å; R240-D311 PolarHBondContact NH1-OD2 2.79Å; R240-N353 HydrophobicContact CB-CB 4.15Å
241	I	97.9	Very high	95.7	Very high	7 Å²	7	39 Å²	39	4%	0.036	21%	0.212	C	C	.	.			trans	-132.5	7.8	-169	57.8	174.5	0	0	0	113.4	L239 L284 D311 E313 Y315	L239-I241 HydrophobicContact CB-CD1 4.15Å; L239-I241 HydrophobicContact CB-CG1 4.17Å; L239-I241 HydrophobicContact CD1-CD1 4.28Å; I241-L284 HydrophobicContact CB-CD1 4.27Å; I241-L284 HydrophobicContact CG2-CD1 4.21Å; I241-D311 PolarHBondContact N-OD1 2.55Å; I241-D311 PolarHBondContact N-OD2 2.91Å; I241-D311 VanDerWaalsContact N-OD2 3.09Å; I241-E313 HydrophobicContact CD1-CG 3.76Å; I241-E313 HydrophobicContact CG1-CG 4.43Å; I241-Y315 HydrophobicContact CD1-CD2 3.98Å; I241-Y315 HydrophobicContact CD1-CE2 3.37Å
242	G	95.2	Very high	95.2	Very high	4 Å²	4	36.6 Å²	36.6	4%	0.041	20%	0.196	C	C	.	.	S	Bend	trans	-63.5	163.7	179.5	0	0	0	0	0	113.7	D244 W245 K246 D311 S312	G242-D244 VanDerWaalsContact C-N 3.31Å; G242-D244 PolarHBondContact O-N 3.1Å; G242-W245 WeakPolarHBondContact O-CB 3.45Å; G242-W245 PolarHBondContact O-N 3.08Å; G242-K246 PolarHBondContact O-N 3.43Å; G242-K246 VanDerWaalsContact O-N 3.13Å; G242-D311 WeakPolarHBondContact CA-OD2 3.19Å; G242-D311 VanDerWaalsContact N-CG 3.27Å; G242-D311 PolarHBondContact N-OD1 3.47Å; G242-D311 PolarHBondContact N-OD2 2.93Å; G242-S312 WeakPolarHBondContact CA-OG 3.22Å; G242-S312 PolarHBondContact N-OG 3.19Å
243	S	92.6	Very high	94.5	Very high	95 Å²	95	39 Å²	39	66%	0.664	21%	0.21	S	C	*	.	H	α-helix	trans	-60.3	-38.3	-177.9	52.5	0	0	0	0	113.1	W245 K246	S243-W245 PolarHBondContact O-N 3.44Å; S243-K246 PolarHBondContact O-N 2.61Å
244	D	90.7	Very high	93.6	Very high	71 Å²	71	42.5 Å²	42.5	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-60.8	-34.3	175.2	70.2	-36.3	0	0	0	112	R43 R240 G242	R43-D244 IonicContact CZ-OD2 3.56Å; R43-D244 IonicContact NH1-OD2 3.54Å; R43-D244 IonicContact NH2-OD2 3.53Å; R43-D244 PolarHBondContact NH2-OD2 2.94Å; R240-D244 IonicContact CZ-OD1 2.85Å; R240-D244 IonicContact CZ-OD2 3.81Å; R240-D244 IonicContact NH1-OD1 2.77Å; R240-D244 PolarHBondContact NH1-OD1 3.07Å; R240-D244 IonicContact NH1-OD2 2.74Å; R240-D244 PolarHBondContact NH1-OD2 3.48Å; R240-D244 IonicContact NH2-OD1 2.88Å; R240-D244 PolarHBondContact NH2-OD1 3.35Å; R240-D244 IonicContact NH2-OD2 2.85Å; R240-D244 PolarHBondContact NH2-OD2 2.98Å; G242-D244 VanDerWaalsContact C-N 3.31Å; G242-D244 PolarHBondContact O-N 3.1Å
245	W	95.6	Very high	92.6	Very high	15 Å²	15	45.6 Å²	45.6	6%	0.057	26%	0.258	C	S	.	.	H	α-helix	trans	-77.8	-31.4	179.4	-161.3	-116.1	0	0	0	113.8	R240 G242 S243 N247 A248 C249 M262 C283 V355	R240-W245 HydrophobicContact CG-CB 4.26Å; R240-W245 HydrophobicContact CG-CD2 3.49Å; R240-W245 VanDerWaalsContact CG-CD2 3.49Å; R240-W245 VanDerWaalsContact CG-CE2 3.5Å; R240-W245 HydrophobicContact CG-CE3 4.1Å; R240-W245 HydrophobicContact CG-CG 3.59Å; R240-W245 HydrophobicContact CG-CZ2 4.03Å; R240-W245 VanDerWaalsContact NH2-CE3 3.3Å; R240-W245 PolarHBondContact O-NE1 2.72Å; G242-W245 WeakPolarHBondContact O-CB 3.45Å; G242-W245 PolarHBondContact O-N 3.08Å; S243-W245 PolarHBondContact O-N 3.44Å; W245-N247 PolarHBondContact O-N 2.92Å; W245-A248 HydrophobicContact CD2-CB 4.47Å; W245-A248 HydrophobicContact CE3-CB 4.09Å; W245-A248 HydrophobicContact CZ3-CB 4.46Å; W245-A248 WeakPolarHBondContact O-CB 3.35Å; W245-A248 PolarHBondContact O-N 2.72Å; W245-A248 VanDerWaalsContact O-N 3.1Å; W245-C249 VanDerWaalsContact CD1-SG 3.57Å; W245-C249 PolarHBondContact NE1-SG 2.85Å; W245-C249 VanDerWaalsContact NE1-SG 3.36Å; W245-C249 PolarHBondContact O-N 3.35Å; W245-M262 HydrophobicContact CH2-SD 3.38Å; W245-M262 WeakPolarHBondContact CH2-SD 3.35Å; W245-M262 HydrophobicContact CZ2-SD 4.43Å; W245-M262 HydrophobicContact CZ3-CE 4.19Å; W245-M262 HydrophobicContact CZ3-SD 3.41Å; W245-M262 WeakPolarHBondContact CZ3-SD 3.32Å; W245-C283 PolarHBondContact NE1-O 3.41Å; W245-V355 HydrophobicContact CH2-CB 4.32Å; W245-V355 HydrophobicContact CH2-CG1 3.83Å; W245-V355 HydrophobicContact CZ2-CB 3.7Å; W245-V355 HydrophobicContact CZ2-CG1 3.6Å
246	K	93.8	Very high	91.5	Very high	107 Å²	107	50.3 Å²	50.3	47%	0.465	29%	0.286	S	S	.	.	H	α-helix	trans	-56.1	-40.5	175.2	-67.9	178	-176.6	176.2	0	111.5	G242 S243 C249 A250 L284	G242-K246 PolarHBondContact O-N 3.43Å; G242-K246 VanDerWaalsContact O-N 3.13Å; S243-K246 PolarHBondContact O-N 2.61Å; K246-C249 PolarHBondContact O-N 3.01Å; K246-A250 PolarHBondContact O-N 2.88Å; K246-L284 HydrophobicContact CG-CD1 4.21Å; K246-L284 HydrophobicContact CG-CD2 3.89Å
247	N	90.3	Very high	90.7	Very high	128 Å²	128	51.1 Å²	51.1	68%	0.684	29%	0.294	S	S	*	.	H	α-helix	trans	-66.4	-40.6	177.1	-67.7	-17.9	0	0	0	112.2	W245 A250	W245-N247 PolarHBondContact O-N 2.92Å; N247-A250 WeakPolarHBondContact O-CB 3.38Å; N247-A250 PolarHBondContact O-N 3.16Å
248	A	91.4	Very high	90.3	Very high	15 Å²	15	53.3 Å²	53.3	12%	0.124	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-49.1	174.9	0	0	0	0	0	111.4	W245 A250 M251 F261 M262	W245-A248 HydrophobicContact CD2-CB 4.47Å; W245-A248 HydrophobicContact CE3-CB 4.09Å; W245-A248 HydrophobicContact CZ3-CB 4.46Å; W245-A248 WeakPolarHBondContact O-CB 3.35Å; W245-A248 PolarHBondContact O-N 2.72Å; W245-A248 VanDerWaalsContact O-N 3.1Å; A248-A250 VanDerWaalsContact C-N 3.25Å; A248-A250 PolarHBondContact O-N 2.98Å; A248-M251 PolarHBondContact O-N 3.08Å; A248-F261 HydrophobicContact CB-CE1 4.44Å; A248-F261 HydrophobicContact CB-CZ 4.28Å; A248-F261 WeakPolarHBondContact O-CE1 3.47Å; A248-F261 WeakPolarHBondContact O-CZ 3.4Å; A248-M262 HydrophobicContact CB-CE 3.55Å
249	C	94.9	Very high	90.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-69.1	-20.8	-179.8	-65.3	0	0	0	0	113.4	W245 K246 M251 L252 M280 C283 L284	W245-C249 VanDerWaalsContact CD1-SG 3.57Å; W245-C249 PolarHBondContact NE1-SG 2.85Å; W245-C249 VanDerWaalsContact NE1-SG 3.36Å; W245-C249 PolarHBondContact O-N 3.35Å; K246-C249 PolarHBondContact O-N 3.01Å; C249-M251 PolarHBondContact O-N 3.16Å; C249-L252 WeakPolarHBondContact O-CB 3.37Å; C249-L252 PolarHBondContact O-N 2.79Å; C249-M280 HydrophobicContact CB-CE 4.41Å; C249-M280 HydrophobicContact CB-SD 4.08Å; C249-M280 WeakPolarHBondContact O-CE 3.2Å; C249-C283 WeakPolarHBondContact CA-SG 3.26Å; C249-C283 HydrophobicContact CB-CB 3.91Å; C249-C283 WeakPolarHBondContact CB-SG 3.14Å; C249-C283 WeakPolarHBondContact SG-CB 3.35Å; C249-C283 PolarHBondContact SG-O 2.65Å; C249-C283 VanDerWaalsContact SG-O 3.34Å; C249-C283 CovalentContact SG-SG 2.04Å; C249-C283 PolarHBondContact SG-SG 3.01Å; C249-L284 HydrophobicContact CB-CB 4.08Å
250	A	91.8	Very high	89.9	Confident	37 Å²	37	57.3 Å²	57.3	31%	0.306	34%	0.338	S	S	.	.	H	α-helix	trans	-56.3	-32.2	176.1	0	0	0	0	0	112.5	K246 N247 A248 L252 K253 D254	K246-A250 PolarHBondContact O-N 2.88Å; N247-A250 WeakPolarHBondContact O-CB 3.38Å; N247-A250 PolarHBondContact O-N 3.16Å; A248-A250 VanDerWaalsContact C-N 3.25Å; A248-A250 PolarHBondContact O-N 2.98Å; A250-L252 PolarHBondContact O-N 3.01Å; A250-L252 VanDerWaalsContact O-N 3.09Å; A250-K253 WeakPolarHBondContact O-CB 3.4Å; A250-K253 PolarHBondContact O-N 2.98Å; A250-D254 PolarHBondContact O-N 3.27Å
251	M	87.9	Confident	89.8	Confident	86 Å²	86	57.5 Å²	57.5	42%	0.424	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-23.3	175.9	-59.8	-175.6	68.4	0	0	113.8	A248 C249 T256 A257 F261	A248-M251 PolarHBondContact O-N 3.08Å; C249-M251 PolarHBondContact O-N 3.16Å; M251-T256 PolarHBondContact O-N 3.4Å; M251-T256 PolarHBondContact O-OG1 2.95Å; M251-A257 HydrophobicContact CB-CB 4.13Å; M251-A257 PolarHBondContact O-N 3.05Å; M251-F261 HydrophobicContact CB-CE2 4.48Å; M251-F261 HydrophobicContact CB-CZ 4.47Å; M251-F261 HydrophobicContact CE-CE2 4.45Å; M251-F261 HydrophobicContact SD-CE2 3.75Å; M251-F261 HydrophobicContact SD-CZ 4.03Å
252	L	89.2	Confident	89.8	Confident	27 Å²	27	60.3 Å²	60.3	14%	0.141	35%	0.353	C	S	.	.	H	α-helix	trans	-77.8	-28.4	173.2	-69.7	165.6	0	0	0	112.7	C249 A250 D254 G255 A257 L278 M280 C283	C249-L252 WeakPolarHBondContact O-CB 3.37Å; C249-L252 PolarHBondContact O-N 2.79Å; A250-L252 PolarHBondContact O-N 3.01Å; A250-L252 VanDerWaalsContact O-N 3.09Å; L252-D254 VanDerWaalsContact C-N 3.3Å; L252-G255 PolarHBondContact O-N 2.88Å; L252-A257 HydrophobicContact CD2-CB 3.76Å; L252-A257 HydrophobicContact CG-CB 4.21Å; L252-L278 HydrophobicContact CD1-CD2 3.98Å; L252-L278 HydrophobicContact CD1-CG 4.02Å; L252-L278 HydrophobicContact CD2-CB 4.27Å; L252-L278 HydrophobicContact CD2-CD2 3.75Å; L252-L278 HydrophobicContact CD2-CG 3.94Å; L252-L278 HydrophobicContact CG-CD2 4.45Å; L252-M280 HydrophobicContact CB-CE 3.92Å; L252-C283 HydrophobicContact CD1-CB 3.37Å; L252-C283 VanDerWaalsContact CD1-SG 3.59Å
253	K	83	Confident	89.9	Confident	157 Å²	157	60.2 Å²	60.2	68%	0.683	35%	0.352	S	S	*	.	H	α-helix	trans	-67.7	-37.6	174.3	-63.5	-172.3	174.4	176	0	111	A250 G255 M280	A250-K253 WeakPolarHBondContact O-CB 3.4Å; A250-K253 PolarHBondContact O-N 2.98Å; K253-G255 PolarHBondContact O-N 2.84Å; K253-M280 HydrophobicContact CB-CE 4.47Å; K253-M280 HydrophobicContact CD-CE 4.15Å; K253-M280 HydrophobicContact CG-CE 3.31Å
254	D	79.6	Confident	90.1	Very high	118 Å²	118	55.7 Å²	55.7	63%	0.631	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.5	-177.4	-55.7	-19.9	0	0	0	112.3	A250 L252 T256	A250-D254 PolarHBondContact O-N 3.27Å; L252-D254 VanDerWaalsContact C-N 3.3Å; D254-T256 HydrophobicContact CB-CG2 4.28Å; D254-T256 PolarHBondContact O-N 3.28Å
255	G	77.1	Confident	90.4	Very high	65 Å²	65	52.8 Å²	52.8	67%	0.67	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	7.9	179.8	0	0	0	0	0	114.7	L252 K253	L252-G255 PolarHBondContact O-N 2.88Å; K253-G255 PolarHBondContact O-N 2.84Å
256	T	76.3	Confident	90.5	Very high	99 Å²	99	52.6 Å²	52.6	61%	0.607	31%	0.305	S	S	*	.			trans	-91	-17.3	-172	56.7	0	0	0	0	114.2	M251 D254	M251-T256 PolarHBondContact O-N 3.4Å; M251-T256 PolarHBondContact O-OG1 2.95Å; D254-T256 HydrophobicContact CB-CG2 4.28Å; D254-T256 PolarHBondContact O-N 3.28Å
257	A	82.5	Confident	90.6	Very high	18 Å²	18	47.7 Å²	47.7	15%	0.149	28%	0.284	C	S	.	.	S	Bend	trans	-82.8	-29.6	-176.1	0	0	0	0	0	114.6	M251 L252 F261	M251-A257 HydrophobicContact CB-CB 4.13Å; M251-A257 PolarHBondContact O-N 3.05Å; L252-A257 HydrophobicContact CD2-CB 3.76Å; L252-A257 HydrophobicContact CG-CB 4.21Å; A257-F261 HydrophobicContact CB-CB 4.23Å; A257-F261 HydrophobicContact CB-CD2 3.9Å; A257-F261 HydrophobicContact CB-CE2 4.48Å; A257-F261 HydrophobicContact CB-CG 4.07Å
258	G	90.4	Very high	90.8	Very high	45 Å²	45	41.8 Å²	41.8	46%	0.464	25%	0.253	S	S	.	.			trans	62.3	-161.4	-171.8	0	0	0	0	0	113.5
259	S	94.1	Very high	91	Very high	32 Å²	32	42.2 Å²	42.2	22%	0.224	26%	0.258	C	S	.	.	S	Bend	trans	-76.5	-29.7	-178.7	-60.1	0	0	0	0	114	F261 S264 V268 A276	S259-F261 PolarHBondContact O-N 3.33Å; S259-S264 WeakPolarHBondContact O-CB 3.44Å; S259-S264 PolarHBondContact O-OG 3.48Å; S259-V268 WeakPolarHBondContact O-CG2 3Å; S259-A276 VanDerWaalsContact CB-O 3.23Å; S259-A276 WeakPolarHBondContact CB-O 3.3Å; S259-A276 PolarHBondContact OG-O 3.03Å
260	H	95.4	Very high	90.9	Very high	58 Å²	58	44.8 Å²	44.8	27%	0.269	27%	0.268	S	S	.	.			trans	-97.3	92	-177.2	-70.8	149.7	0	0	0	111.5	S264 G269 Y270 R272	H260-S264 WeakPolarHBondContact CA-OG 3.14Å; H260-G269 PolarHBondContact NE2-O 3.47Å; H260-Y270 PolarHBondContact CE1-O 3.35Å; H260-Y270 VanDerWaalsContact CE1-O 3.32Å; H260-R272 VanDerWaalsContact ND1-CG 3.32Å; H260-R272 WeakPolarHBondContact ND1-CG 3.38Å
261	F	96.3	Very high	90.9	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.096	27%	0.27	C	S	.	.			trans	-135.7	121.1	-178.3	-176.6	-114.9	0	0	0	110.1	A248 M251 A257 S259 A263 S264 L278 V355	A248-F261 HydrophobicContact CB-CE1 4.44Å; A248-F261 HydrophobicContact CB-CZ 4.28Å; A248-F261 WeakPolarHBondContact O-CE1 3.47Å; A248-F261 WeakPolarHBondContact O-CZ 3.4Å; M251-F261 HydrophobicContact CB-CE2 4.48Å; M251-F261 HydrophobicContact CB-CZ 4.47Å; M251-F261 HydrophobicContact CE-CE2 4.45Å; M251-F261 HydrophobicContact SD-CE2 3.75Å; M251-F261 HydrophobicContact SD-CZ 4.03Å; A257-F261 HydrophobicContact CB-CB 4.23Å; A257-F261 HydrophobicContact CB-CD2 3.9Å; A257-F261 HydrophobicContact CB-CE2 4.48Å; A257-F261 HydrophobicContact CB-CG 4.07Å; S259-F261 PolarHBondContact O-N 3.33Å; F261-A263 PolarHBondContact O-N 3.38Å; F261-S264 PolarHBondContact N-OG 2.86Å; F261-S264 VanDerWaalsContact O-CB 3.23Å; F261-S264 WeakPolarHBondContact O-CB 3.46Å; F261-S264 PolarHBondContact O-N 2.94Å; F261-S264 PolarHBondContact O-OG 3.5Å; F261-L278 HydrophobicContact CB-CD2 3.75Å; F261-L278 HydrophobicContact CD1-CD2 4.47Å; F261-V355 HydrophobicContact CD1-CG1 3.48Å; F261-V355 VanDerWaalsContact CD1-CG1 3.48Å; F261-V355 HydrophobicContact CE1-CG1 3.81Å
262	M	96.9	Very high	90.9	Very high	66 Å²	66	51.9 Å²	51.9	33%	0.325	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	-121.5	-174.4	-54.8	-171.7	174.4	0	0	112	F199 P200 W245 A248 S264 V355	F199-M262 HydrophobicContact CE1-CB 4.22Å; F199-M262 HydrophobicContact CZ-CB 4.47Å; P200-M262 VanDerWaalsContact CD-O 3.28Å; P200-M262 WeakPolarHBondContact CD-O 3.49Å; P200-M262 VanDerWaalsContact CG-O 3.27Å; P200-M262 WeakPolarHBondContact CG-O 3.38Å; W245-M262 HydrophobicContact CH2-SD 3.38Å; W245-M262 WeakPolarHBondContact CH2-SD 3.35Å; W245-M262 HydrophobicContact CZ2-SD 4.43Å; W245-M262 HydrophobicContact CZ3-CE 4.19Å; W245-M262 HydrophobicContact CZ3-SD 3.41Å; W245-M262 WeakPolarHBondContact CZ3-SD 3.32Å; A248-M262 HydrophobicContact CB-CE 3.55Å; M262-S264 VanDerWaalsContact C-N 3.32Å; M262-S264 PolarHBondContact O-N 3.05Å; M262-V355 HydrophobicContact CB-CG1 3.8Å; M262-V355 VanDerWaalsContact CB-O 3.29Å; M262-V355 WeakPolarHBondContact CB-O 3Å; M262-V355 HydrophobicContact CG-CG1 4.12Å; M262-V355 HydrophobicContact SD-CG1 4.04Å
263	A	98.2	Very high	90.8	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.025	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	11.2	-178.4	0	0	0	0	0	114.3	F261 P265 Q266 C354 V355 A360	F261-A263 PolarHBondContact O-N 3.38Å; A263-P265 VanDerWaalsContact C-N 3.28Å; A263-P265 WeakPolarHBondContact O-CD 3.33Å; A263-P265 VanDerWaalsContact O-N 3.13Å; A263-Q266 VanDerWaalsContact O-CG 3.24Å; A263-Q266 WeakPolarHBondContact O-CG 3.24Å; A263-Q266 PolarHBondContact O-N 2.84Å; A263-Q266 PolarHBondContact O-NE2 3.17Å; A263-C354 CarbonylContact C-O 3.49Å; A263-C354 VanDerWaalsContact C-O 3.23Å; A263-C354 VanDerWaalsContact O-O 3.11Å; A263-V355 WeakPolarHBondContact CB-O 3.23Å; A263-V355 PolarHBondContact N-O 3.31Å; A263-A360 HydrophobicContact CB-CB 4.18Å
264	S	97.6	Very high	91.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.5	-178.2	73.9	0	0	0	0	116.5	S259 H260 F261 M262 Q266 C267 V268 C354	S259-S264 WeakPolarHBondContact O-CB 3.44Å; S259-S264 PolarHBondContact O-OG 3.48Å; H260-S264 WeakPolarHBondContact CA-OG 3.14Å; F261-S264 PolarHBondContact N-OG 2.86Å; F261-S264 VanDerWaalsContact O-CB 3.23Å; F261-S264 WeakPolarHBondContact O-CB 3.46Å; F261-S264 PolarHBondContact O-N 2.94Å; F261-S264 PolarHBondContact O-OG 3.5Å; M262-S264 VanDerWaalsContact C-N 3.32Å; M262-S264 PolarHBondContact O-N 3.05Å; S264-Q266 PolarHBondContact O-N 3.36Å; S264-C267 PolarHBondContact O-N 3.21Å; S264-V268 WeakPolarHBondContact O-CG2 3.34Å; S264-V268 PolarHBondContact O-N 3.42Å; S264-C354 VanDerWaalsContact CA-O 3.27Å; S264-C354 WeakPolarHBondContact CA-O 3.24Å; S264-C354 PolarHBondContact N-O 3.43Å
265	P	96.8	Very high	91.5	Very high	9 Å²	9	49 Å²	49	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-53	-24.7	175.7	-30.3	37.9	0	0	0	114.6	P200 A263 C267 G269 Y270	P200-P265 HydrophobicContact CG-CG 3.81Å; A263-P265 VanDerWaalsContact C-N 3.28Å; A263-P265 WeakPolarHBondContact O-CD 3.33Å; A263-P265 VanDerWaalsContact O-N 3.13Å; P265-C267 PolarHBondContact O-N 2.82Å; P265-C267 VanDerWaalsContact O-N 3.17Å; P265-G269 WeakPolarHBondContact O-CA 3.14Å; P265-G269 PolarHBondContact O-N 2.79Å; P265-Y270 HydrophobicContact CB-CD1 3.96Å; P265-Y270 HydrophobicContact CB-CD2 4.05Å; P265-Y270 HydrophobicContact CB-CE1 3.94Å; P265-Y270 HydrophobicContact CB-CE2 4Å; P265-Y270 HydrophobicContact CB-CG 4.03Å
266	Q	96.6	Very high	92.3	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-19.2	174.1	78.7	-174	-59.6	0	0	114.3	A263 S264 C354 S356 F375	A263-Q266 VanDerWaalsContact O-CG 3.24Å; A263-Q266 WeakPolarHBondContact O-CG 3.24Å; A263-Q266 PolarHBondContact O-N 2.84Å; A263-Q266 PolarHBondContact O-NE2 3.17Å; S264-Q266 PolarHBondContact O-N 3.36Å; Q266-C354 PolarHBondContact NE2-O 3.4Å; Q266-S356 PolarHBondContact NE2-O 3.47Å; Q266-S356 VanDerWaalsContact NE2-O 3.17Å; Q266-F375 HydrophobicContact CG-CE1 3.94Å; Q266-F375 HydrophobicContact CG-CZ 3.9Å
267	C	95.9	Very high	93.1	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-111	-48.8	176.4	-70.1	0	0	0	0	111.6	S264 P265 M282 C354 F375 M378 P382	S264-C267 PolarHBondContact O-N 3.21Å; P265-C267 PolarHBondContact O-N 2.82Å; P265-C267 VanDerWaalsContact O-N 3.17Å; C267-M282 HydrophobicContact CB-CE 3.99Å; C267-C354 HydrophobicContact CB-CB 3.77Å; C267-C354 WeakPolarHBondContact CB-SG 3.01Å; C267-C354 WeakPolarHBondContact SG-CA 3.48Å; C267-C354 WeakPolarHBondContact SG-CB 3.5Å; C267-C354 CovalentContact SG-SG 2.03Å; C267-C354 PolarHBondContact SG-SG 3.46Å; C267-F375 WeakPolarHBondContact SG-CD1 3.1Å; C267-F375 WeakPolarHBondContact SG-CD2 3.31Å; C267-F375 VanDerWaalsContact SG-CE2 3.51Å; C267-F375 WeakPolarHBondContact SG-CG 3.47Å; C267-M378 HydrophobicContact CB-SD 3.78Å; C267-P382 WeakPolarHBondContact O-CD 3.47Å
268	V	95.2	Very high	93.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-85.6	-13.1	-170.8	-55	0	0	0	0	113.3	S259 S264 A275 A276 L278 M282	S259-V268 WeakPolarHBondContact O-CG2 3Å; S264-V268 WeakPolarHBondContact O-CG2 3.34Å; S264-V268 PolarHBondContact O-N 3.42Å; V268-A275 HydrophobicContact CB-CB 4.31Å; V268-A275 HydrophobicContact CG2-CB 4.09Å; V268-A275 CarbonylContact O-C 3.43Å; V268-A275 WeakPolarHBondContact O-CA 3.26Å; V268-A276 HydrophobicContact CB-CB 4.22Å; V268-A276 VanDerWaalsContact CB-O 3.29Å; V268-A276 WeakPolarHBondContact CB-O 3.32Å; V268-A276 HydrophobicContact CG1-CB 4.38Å; V268-A276 VanDerWaalsContact CG1-O 3.24Å; V268-A276 WeakPolarHBondContact CG1-O 3.17Å; V268-A276 PolarHBondContact O-N 3.37Å; V268-L278 HydrophobicContact CG1-CB 4.32Å; V268-M282 HydrophobicContact CG1-CE 4.05Å
269	G	94.6	Very high	93.9	Very high	24 Å²	24	47.9 Å²	47.9	25%	0.247	27%	0.271	C	S	.	.			trans	90.9	158.7	-173.2	0	0	0	0	0	113.1	H260 P265	H260-G269 PolarHBondContact NE2-O 3.47Å; P265-G269 WeakPolarHBondContact O-CA 3.14Å; P265-G269 PolarHBondContact O-N 2.79Å
270	Y	93.7	Very high	94.1	Very high	55 Å²	55	48.9 Å²	48.9	22%	0.216	27%	0.273	C	S	.	.	S	Bend	trans	-82.8	-23.9	-176.5	-79.5	-96.3	0	0	0	114	V201 E203 R206 H260 P265 R272	V201-Y270 VanDerWaalsContact O-CE1 3.26Å; V201-Y270 WeakPolarHBondContact O-CE1 3.41Å; V201-Y270 PolarHBondContact O-OH 3.16Å; E203-Y270 HydrophobicContact CB-CD1 4.1Å; E203-Y270 HydrophobicContact CB-CD2 3.68Å; E203-Y270 HydrophobicContact CB-CE1 4.14Å; E203-Y270 HydrophobicContact CB-CE2 3.75Å; E203-Y270 HydrophobicContact CB-CG 3.87Å; E203-Y270 HydrophobicContact CG-CD2 3.84Å; E203-Y270 HydrophobicContact CG-CE2 3.93Å; E203-Y270 HydrophobicContact CG-CG 4.44Å; R206-Y270 WeakPolarHBondContact CD-OH 3.41Å; H260-Y270 PolarHBondContact CE1-O 3.35Å; H260-Y270 VanDerWaalsContact CE1-O 3.32Å; P265-Y270 HydrophobicContact CB-CD1 3.96Å; P265-Y270 HydrophobicContact CB-CD2 4.05Å; P265-Y270 HydrophobicContact CB-CE1 3.94Å; P265-Y270 HydrophobicContact CB-CE2 4Å; P265-Y270 HydrophobicContact CB-CG 4.03Å; Y270-R272 PolarHBondContact O-N 2.7Å
271	S	92.4	Very high	94.2	Very high	49 Å²	49	49 Å²	49	34%	0.343	28%	0.278	S	S	.	.			trans	-71.8	123	178.5	167	0	0	0	0	111.7	S273 T274 A275	S271-S273 VanDerWaalsContact C-N 3.27Å; S271-S273 PolarHBondContact O-N 2.85Å; S271-S273 PolarHBondContact OG-N 2.94Å; S271-S273 PolarHBondContact OG-OG 3.24Å; S271-S273 VanDerWaalsContact OG-OG 3.1Å; S271-T274 WeakPolarHBondContact CB-OG1 3.42Å; S271-T274 PolarHBondContact O-N 2.79Å; S271-T274 PolarHBondContact OG-N 3.09Å; S271-T274 PolarHBondContact OG-OG1 2.87Å; S271-A275 VanDerWaalsContact O-CB 3.26Å; S271-A275 WeakPolarHBondContact O-CB 3.38Å; S271-A275 PolarHBondContact O-N 2.99Å
272	R	88	Confident	94.2	Very high	223 Å²	223	48 Å²	48	84%	0.842	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.6	178.3	-76.9	-178.2	179.5	-158.5	2.1	113.5	H260 Y270	H260-R272 VanDerWaalsContact ND1-CG 3.32Å; H260-R272 WeakPolarHBondContact ND1-CG 3.38Å; Y270-R272 PolarHBondContact O-N 2.7Å
273	S	87.1	Confident	94.3	Very high	111 Å²	111	44.9 Å²	44.9	78%	0.776	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-23.4	-177.4	53.8	0	0	0	0	113.3	S271	S271-S273 VanDerWaalsContact C-N 3.27Å; S271-S273 PolarHBondContact O-N 2.85Å; S271-S273 PolarHBondContact OG-N 2.94Å; S271-S273 PolarHBondContact OG-OG 3.24Å; S271-S273 VanDerWaalsContact OG-OG 3.1Å
274	T	87.5	Confident	94.3	Very high	110 Å²	110	46.7 Å²	46.7	68%	0.675	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	8.8	-176.7	66.3	0	0	0	0	112.9	S271 A276	S271-T274 WeakPolarHBondContact CB-OG1 3.42Å; S271-T274 PolarHBondContact O-N 2.79Å; S271-T274 PolarHBondContact OG-N 3.09Å; S271-T274 PolarHBondContact OG-OG1 2.87Å; T274-A276 PolarHBondContact O-N 3.2Å
275	A	89.6	Confident	94.3	Very high	20 Å²	20	47 Å²	47	17%	0.165	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-65.1	128.9	-177.8	0	0	0	0	0	111.1	V268 S271	V268-A275 HydrophobicContact CB-CB 4.31Å; V268-A275 HydrophobicContact CG2-CB 4.09Å; V268-A275 CarbonylContact O-C 3.43Å; V268-A275 WeakPolarHBondContact O-CA 3.26Å; S271-A275 VanDerWaalsContact O-CB 3.26Å; S271-A275 WeakPolarHBondContact O-CB 3.38Å; S271-A275 PolarHBondContact O-N 2.99Å
276	A	92.3	Very high	94.4	Very high	28 Å²	28	51 Å²	51	23%	0.231	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-59.7	151.2	172.7	0	0	0	0	0	110.9	S259 V268 T274 L278 M378	S259-A276 VanDerWaalsContact CB-O 3.23Å; S259-A276 WeakPolarHBondContact CB-O 3.3Å; S259-A276 PolarHBondContact OG-O 3.03Å; V268-A276 HydrophobicContact CB-CB 4.22Å; V268-A276 VanDerWaalsContact CB-O 3.29Å; V268-A276 WeakPolarHBondContact CB-O 3.32Å; V268-A276 HydrophobicContact CG1-CB 4.38Å; V268-A276 VanDerWaalsContact CG1-O 3.24Å; V268-A276 WeakPolarHBondContact CG1-O 3.17Å; V268-A276 PolarHBondContact O-N 3.37Å; T274-A276 PolarHBondContact O-N 3.2Å; A276-L278 PolarHBondContact O-N 3.34Å; A276-M378 HydrophobicContact CB-CE 4.21Å
277	P	93	Very high	94.5	Very high	99 Å²	99	52.9 Å²	52.9	64%	0.643	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-60.7	135.4	175.1	-23.5	34.2	0	0	0	111.8
278	L	95.9	Very high	94.6	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.099	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-90.5	120.3	171.4	-178.2	62	0	0	0	109.9	L252 F261 V268 A276 M282 C354 V355	L252-L278 HydrophobicContact CD1-CD2 3.98Å; L252-L278 HydrophobicContact CD1-CG 4.02Å; L252-L278 HydrophobicContact CD2-CB 4.27Å; L252-L278 HydrophobicContact CD2-CD2 3.75Å; L252-L278 HydrophobicContact CD2-CG 3.94Å; L252-L278 HydrophobicContact CG-CD2 4.45Å; F261-L278 HydrophobicContact CB-CD2 3.75Å; F261-L278 HydrophobicContact CD1-CD2 4.47Å; V268-L278 HydrophobicContact CG1-CB 4.32Å; A276-L278 PolarHBondContact O-N 3.34Å; L278-M282 HydrophobicContact CD1-CB 3.87Å; L278-M282 HydrophobicContact CD1-CE 3.78Å; L278-M282 HydrophobicContact CD1-SD 4.2Å; L278-C354 HydrophobicContact CD1-CB 4.47Å; L278-V355 HydrophobicContact CD1-CG2 3.76Å; L278-V355 HydrophobicContact CD2-CG2 3.83Å; L278-V355 HydrophobicContact CG-CG2 4.3Å
279	T	95.8	Very high	94.8	Very high	59 Å²	59	61.1 Å²	61.1	36%	0.362	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-100.9	161.2	-177.3	69.2	0	0	0	0	112.6	T281 M282 C283	T279-T281 PolarHBondContact O-N 2.95Å; T279-M282 HydrophobicContact CG2-SD 4.24Å; T279-M282 WeakPolarHBondContact O-CB 3.45Å; T279-M282 PolarHBondContact O-N 3.09Å; T279-M282 VanDerWaalsContact O-N 3.14Å; T279-M282 VanDerWaalsContact OG1-CG 3.29Å; T279-M282 WeakPolarHBondContact OG1-CG 3.17Å; T279-M282 PolarHBondContact OG1-N 3.26Å; T279-C283 PolarHBondContact O-N 2.85Å
280	M	96.7	Very high	95	Very high	52 Å²	52	60 Å²	60	26%	0.256	32%	0.324	S	S	.	.	H	α-helix	trans	-57.3	-40.3	171.6	-177.6	55.6	51	0	0	111.7	C249 L252 K253 M282 C283 L284	C249-M280 HydrophobicContact CB-CE 4.41Å; C249-M280 HydrophobicContact CB-SD 4.08Å; C249-M280 WeakPolarHBondContact O-CE 3.2Å; L252-M280 HydrophobicContact CB-CE 3.92Å; K253-M280 HydrophobicContact CB-CE 4.47Å; K253-M280 HydrophobicContact CD-CE 4.15Å; K253-M280 HydrophobicContact CG-CE 3.31Å; M280-M282 VanDerWaalsContact C-N 3.26Å; M280-M282 PolarHBondContact O-N 3.05Å; M280-C283 PolarHBondContact O-N 3.09Å; M280-C283 VanDerWaalsContact O-N 3.07Å; M280-L284 CarbonylContact O-C 3.54Å; M280-L284 PolarHBondContact O-N 3.02Å; M280-L284 HydrophobicContact SD-CB 4.03Å
281	T	97.6	Very high	95.2	Very high	60 Å²	60	59.4 Å²	59.4	37%	0.368	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-35.3	177.6	-54.6	0	0	0	0	112.4	T279 P285 E289	T279-T281 PolarHBondContact O-N 2.95Å; T281-P285 WeakPolarHBondContact O-CA 3.44Å; T281-P285 WeakPolarHBondContact O-CB 3.41Å; T281-E289 HydrophobicContact CG2-CB 3.94Å; T281-E289 HydrophobicContact CG2-CG 3.52Å
282	M	97.9	Very high	95.5	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-73.4	-28.9	175.4	-66.8	162.8	71.7	0	0	113.4	C267 V268 L278 T279 M280 C354 F376 M378	C267-M282 HydrophobicContact CB-CE 3.99Å; V268-M282 HydrophobicContact CG1-CE 4.05Å; L278-M282 HydrophobicContact CD1-CB 3.87Å; L278-M282 HydrophobicContact CD1-CE 3.78Å; L278-M282 HydrophobicContact CD1-SD 4.2Å; T279-M282 HydrophobicContact CG2-SD 4.24Å; T279-M282 WeakPolarHBondContact O-CB 3.45Å; T279-M282 PolarHBondContact O-N 3.09Å; T279-M282 VanDerWaalsContact O-N 3.14Å; T279-M282 VanDerWaalsContact OG1-CG 3.29Å; T279-M282 WeakPolarHBondContact OG1-CG 3.17Å; T279-M282 PolarHBondContact OG1-N 3.26Å; M280-M282 VanDerWaalsContact C-N 3.26Å; M280-M282 PolarHBondContact O-N 3.05Å; M282-C354 HydrophobicContact CB-CB 4.22Å; M282-C354 HydrophobicContact CE-CB 4.19Å; M282-C354 VanDerWaalsContact CE-SG 3.57Å; M282-F376 WeakPolarHBondContact CA-O 3.47Å; M282-M378 HydrophobicContact CE-CB 4.36Å; M282-M378 HydrophobicContact CE-CE 3.48Å; M282-M378 VanDerWaalsContact CE-CE 3.48Å; M282-M378 HydrophobicContact CE-SD 4.17Å; M282-M378 HydrophobicContact SD-CE 4.2Å
283	C	98.1	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-87.3	-44.9	-179.2	-165	0	0	0	0	112.7	W245 C249 L252 T279 M280 N353 V355	W245-C283 PolarHBondContact NE1-O 3.41Å; C249-C283 WeakPolarHBondContact CA-SG 3.26Å; C249-C283 HydrophobicContact CB-CB 3.91Å; C249-C283 WeakPolarHBondContact CB-SG 3.14Å; C249-C283 WeakPolarHBondContact SG-CB 3.35Å; C249-C283 PolarHBondContact SG-O 2.65Å; C249-C283 VanDerWaalsContact SG-O 3.34Å; C249-C283 CovalentContact SG-SG 2.04Å; C249-C283 PolarHBondContact SG-SG 3.01Å; L252-C283 HydrophobicContact CD1-CB 3.37Å; L252-C283 VanDerWaalsContact CD1-SG 3.59Å; T279-C283 PolarHBondContact O-N 2.85Å; M280-C283 PolarHBondContact O-N 3.09Å; M280-C283 VanDerWaalsContact O-N 3.07Å; C283-N353 PolarHBondContact O-ND2 3.43Å; C283-V355 HydrophobicContact CB-CG2 3.87Å
284	L	98.3	Very high	96.6	Very high	41 Å²	41	45.7 Å²	45.7	22%	0.215	25%	0.247	C	C	.	.	S	Bend	trans	-142.8	78.6	-174.2	-169.2	78.1	0	0	0	109.2	I241 K246 C249 M280	I241-L284 HydrophobicContact CB-CD1 4.27Å; I241-L284 HydrophobicContact CG2-CD1 4.21Å; K246-L284 HydrophobicContact CG-CD1 4.21Å; K246-L284 HydrophobicContact CG-CD2 3.89Å; C249-L284 HydrophobicContact CB-CB 4.08Å; M280-L284 CarbonylContact O-C 3.54Å; M280-L284 PolarHBondContact O-N 3.02Å; M280-L284 HydrophobicContact SD-CB 4.03Å
285	P	98.4	Very high	97.1	Very high	7 Å²	7	44.7 Å²	44.7	5%	0.045	23%	0.233	C	C	.	.			trans	-65.7	140.1	-178.3	28.5	-35.6	0	0	0	111.1	T281 E289 I290 F376	T281-P285 WeakPolarHBondContact O-CA 3.44Å; T281-P285 WeakPolarHBondContact O-CB 3.41Å; P285-E289 HydrophobicContact CB-CB 4.08Å; P285-E289 HydrophobicContact CB-CG 3.8Å; P285-I290 HydrophobicContact CB-CG1 4.09Å; P285-I290 HydrophobicContact CG-CD1 4.46Å; P285-I290 HydrophobicContact CG-CG1 4.14Å; P285-F376 HydrophobicContact CB-CB 3.81Å; P285-F376 HydrophobicContact CB-CD1 4.41Å; P285-F376 HydrophobicContact CB-CG 4.06Å; P285-F376 HydrophobicContact CG-CB 3.85Å; P285-F376 HydrophobicContact CG-CD1 4.45Å; P285-F376 HydrophobicContact CG-CD2 3.93Å; P285-F376 HydrophobicContact CG-CG 3.82Å
286	D	98.2	Very high	97.5	Very high	91 Å²	91	47.2 Å²	47.2	49%	0.487	24%	0.244	S	C	.	.			trans	-80.9	171.5	171.7	73.8	-3.4	0	0	0	111.2	K288 E289 I290	D286-K288 PolarHBondContact O-N 3.13Å; D286-K288 VanDerWaalsContact O-N 3.17Å; D286-K288 WeakPolarHBondContact OD1-CB 3.28Å; D286-K288 PolarHBondContact OD1-N 3.47Å; D286-E289 PolarHBondContact O-N 2.63Å; D286-E289 WeakPolarHBondContact OD1-CB 3.26Å; D286-E289 PolarHBondContact OD1-N 2.82Å; D286-I290 VanDerWaalsContact O-CG1 3.29Å; D286-I290 WeakPolarHBondContact O-CG1 3.44Å; D286-I290 PolarHBondContact O-N 3.43Å
287	L	98.4	Very high	97.8	Very high	52 Å²	52	48 Å²	48	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-58.1	-31.4	179.8	-179.1	60.8	0	0	0	112.6	I290 Q291 Y315 E318	L287-I290 PolarHBondContact O-N 2.98Å; L287-Q291 HydrophobicContact CD1-CG 4.17Å; L287-Q291 HydrophobicContact CG-CG 4.4Å; L287-Q291 WeakPolarHBondContact O-CB 3.33Å; L287-Q291 VanDerWaalsContact O-CG 3.29Å; L287-Q291 WeakPolarHBondContact O-CG 3.1Å; L287-Q291 PolarHBondContact O-N 3.22Å; L287-Y315 HydrophobicContact CD1-CD1 4.19Å; L287-Y315 HydrophobicContact CD1-CD2 3.95Å; L287-Y315 HydrophobicContact CD1-CE2 4.49Å; L287-Y315 HydrophobicContact CD1-CG 3.79Å; L287-E318 HydrophobicContact CD1-CB 4.12Å; L287-E318 HydrophobicContact CD2-CB 4.19Å; L287-E318 HydrophobicContact CD2-CG 3.99Å
288	K	98.5	Very high	98.1	Very high	160 Å²	160	43.7 Å²	43.7	70%	0.696	21%	0.213	S	C	*	.	H	α-helix	trans	-67.7	-46.3	178.9	-68.6	179.6	179.2	175.6	0	111.1	D286 Q291 R292	D286-K288 PolarHBondContact O-N 3.13Å; D286-K288 VanDerWaalsContact O-N 3.17Å; D286-K288 WeakPolarHBondContact OD1-CB 3.28Å; D286-K288 PolarHBondContact OD1-N 3.47Å; K288-Q291 PolarHBondContact O-N 2.82Å; K288-R292 VanDerWaalsContact O-CB 3.31Å; K288-R292 WeakPolarHBondContact O-CB 3.2Å; K288-R292 PolarHBondContact O-N 3.44Å
289	E	98.8	Very high	98.2	Very high	21 Å²	21	50 Å²	50	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.8	172.3	57.8	-164	0	0	111.3	T281 P285 D286 Q291 R292 A293 F376 G377	T281-E289 HydrophobicContact CG2-CB 3.94Å; T281-E289 HydrophobicContact CG2-CG 3.52Å; P285-E289 HydrophobicContact CB-CB 4.08Å; P285-E289 HydrophobicContact CB-CG 3.8Å; D286-E289 PolarHBondContact O-N 2.63Å; D286-E289 WeakPolarHBondContact OD1-CB 3.26Å; D286-E289 PolarHBondContact OD1-N 2.82Å; E289-Q291 PolarHBondContact O-N 3.2Å; E289-R292 PolarHBondContact O-N 3.2Å; E289-R292 IonicContact OE1-CZ 2.94Å; E289-R292 IonicContact OE1-NE 3.63Å; E289-R292 IonicContact OE1-NH2 3.93Å; E289-R292 PolarHBondContact OE1-NH2 2.87Å; E289-R292 IonicContact OE2-CZ 3.21Å; E289-R292 IonicContact OE2-NE 3.43Å; E289-R292 PolarHBondContact OE2-NE 3.44Å; E289-R292 IonicContact OE2-NH2 3.6Å; E289-A293 WeakPolarHBondContact O-CB 3.1Å; E289-A293 PolarHBondContact O-N 3.43Å; E289-F376 HydrophobicContact CG-CB 4.23Å; E289-F376 HydrophobicContact CG-CD1 4.3Å; E289-G377 PolarHBondContact OE1-N 3.33Å
290	I	98.8	Very high	98.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.5	-50.9	177.8	-65.1	165	0	0	0	109.9	I237 L239 P285 D286 L287 R292 A293 V294 Y315 L319 F376	I237-I290 HydrophobicContact CD1-CG2 4.42Å; L239-I290 HydrophobicContact CD2-CD1 3.87Å; L239-I290 HydrophobicContact CD2-CG1 4.05Å; L239-I290 HydrophobicContact CD2-CG2 4.13Å; P285-I290 HydrophobicContact CB-CG1 4.09Å; P285-I290 HydrophobicContact CG-CD1 4.46Å; P285-I290 HydrophobicContact CG-CG1 4.14Å; D286-I290 VanDerWaalsContact O-CG1 3.29Å; D286-I290 WeakPolarHBondContact O-CG1 3.44Å; D286-I290 PolarHBondContact O-N 3.43Å; L287-I290 PolarHBondContact O-N 2.98Å; I290-R292 VanDerWaalsContact C-N 3.34Å; I290-R292 PolarHBondContact O-N 3.36Å; I290-A293 PolarHBondContact O-N 2.86Å; I290-V294 HydrophobicContact CG2-CG2 4.28Å; I290-V294 WeakPolarHBondContact O-CB 3.28Å; I290-V294 WeakPolarHBondContact O-CG2 3.42Å; I290-V294 PolarHBondContact O-N 3.1Å; I290-Y315 HydrophobicContact CD1-CD2 3.8Å; I290-Y315 HydrophobicContact CD1-CE2 3.78Å; I290-L319 HydrophobicContact CG2-CD2 4.31Å; I290-F376 HydrophobicContact CB-CE1 4.27Å; I290-F376 HydrophobicContact CG1-CD1 4.43Å; I290-F376 HydrophobicContact CG1-CE1 4.1Å; I290-F376 HydrophobicContact CG1-CZ 4.41Å; I290-F376 HydrophobicContact CG2-CE1 4.29Å; I290-F376 HydrophobicContact CG2-CZ 4.5Å
291	Q	98.6	Very high	98.4	Very high	43 Å²	43	50.9 Å²	50.9	20%	0.201	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-41.7	177.1	-75.7	176.5	-16.7	0	0	112.3	L287 K288 E289 K295 L319 F322	L287-Q291 HydrophobicContact CD1-CG 4.17Å; L287-Q291 HydrophobicContact CG-CG 4.4Å; L287-Q291 WeakPolarHBondContact O-CB 3.33Å; L287-Q291 VanDerWaalsContact O-CG 3.29Å; L287-Q291 WeakPolarHBondContact O-CG 3.1Å; L287-Q291 PolarHBondContact O-N 3.22Å; K288-Q291 PolarHBondContact O-N 2.82Å; E289-Q291 PolarHBondContact O-N 3.2Å; Q291-K295 WeakPolarHBondContact O-CB 3.34Å; Q291-K295 PolarHBondContact O-N 2.99Å; Q291-L319 HydrophobicContact CG-CD2 4.15Å; Q291-F322 HydrophobicContact CB-CD2 4.29Å; Q291-F322 HydrophobicContact CB-CE2 4.04Å; Q291-F322 HydrophobicContact CB-CZ 4.16Å; Q291-F322 HydrophobicContact CG-CD2 4.11Å; Q291-F322 HydrophobicContact CG-CE2 4.37Å; Q291-F322 HydrophobicContact CG-CG 4.32Å
292	R	98.7	Very high	98.4	Very high	95 Å²	95	53.9 Å²	53.9	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-52	178.7	-173.9	-150.9	65.2	72.5	4.8	111.3	K288 E289 I290 K295 L296 D379	K288-R292 VanDerWaalsContact O-CB 3.31Å; K288-R292 WeakPolarHBondContact O-CB 3.2Å; K288-R292 PolarHBondContact O-N 3.44Å; E289-R292 PolarHBondContact O-N 3.2Å; E289-R292 IonicContact OE1-CZ 2.94Å; E289-R292 IonicContact OE1-NE 3.63Å; E289-R292 IonicContact OE1-NH2 3.93Å; E289-R292 PolarHBondContact OE1-NH2 2.87Å; E289-R292 IonicContact OE2-CZ 3.21Å; E289-R292 IonicContact OE2-NE 3.43Å; E289-R292 PolarHBondContact OE2-NE 3.44Å; E289-R292 IonicContact OE2-NH2 3.6Å; I290-R292 VanDerWaalsContact C-N 3.34Å; I290-R292 PolarHBondContact O-N 3.36Å; R292-K295 PolarHBondContact O-N 3.09Å; R292-L296 PolarHBondContact O-N 3.18Å; R292-D379 IonicContact CZ-OD1 2.65Å; R292-D379 IonicContact CZ-OD2 2.71Å; R292-D379 IonicContact NH1-OD1 3.67Å; R292-D379 IonicContact NH1-OD2 2.76Å; R292-D379 PolarHBondContact NH1-OD2 2.75Å; R292-D379 VanDerWaalsContact NH2-CG 3.26Å; R292-D379 IonicContact NH2-OD1 3.41Å; R292-D379 PolarHBondContact NH2-OD1 3.33Å; R292-D379 IonicContact NH2-OD2 2.72Å; R292-D379 PolarHBondContact NH2-OD2 3.11Å
293	A	98.7	Very high	98.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-45.7	-178.3	0	0	0	0	0	111.5	E289 I290 K295 L296 W297 I351 F376	E289-A293 WeakPolarHBondContact O-CB 3.1Å; E289-A293 PolarHBondContact O-N 3.43Å; I290-A293 PolarHBondContact O-N 2.86Å; A293-K295 VanDerWaalsContact C-N 3.35Å; A293-K295 PolarHBondContact O-N 2.94Å; A293-L296 WeakPolarHBondContact O-CB 3.48Å; A293-L296 PolarHBondContact O-N 3.46Å; A293-W297 VanDerWaalsContact O-CD1 3.23Å; A293-W297 PolarHBondContact O-N 3.39Å; A293-I351 HydrophobicContact CB-CD1 4.15Å; A293-I351 HydrophobicContact CB-CG2 4.36Å; A293-F376 HydrophobicContact CB-CD1 3.72Å; A293-F376 HydrophobicContact CB-CE1 3.84Å
294	V	98.7	Very high	98.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-43.1	177.3	-178.6	0	0	0	0	110.5	I237 I290 L296 W297 V298 V306 L319 F323 I351	I237-V294 HydrophobicContact CD1-CG2 3.9Å; I237-V294 HydrophobicContact CG2-CG2 3.96Å; I290-V294 HydrophobicContact CG2-CG2 4.28Å; I290-V294 WeakPolarHBondContact O-CB 3.28Å; I290-V294 WeakPolarHBondContact O-CG2 3.42Å; I290-V294 PolarHBondContact O-N 3.1Å; V294-L296 VanDerWaalsContact C-N 3.34Å; V294-L296 PolarHBondContact O-N 3.29Å; V294-W297 PolarHBondContact O-N 3.31Å; V294-V298 HydrophobicContact CG1-CG2 3.89Å; V294-V298 VanDerWaalsContact O-CB 3.24Å; V294-V298 WeakPolarHBondContact O-CB 3.32Å; V294-V298 WeakPolarHBondContact O-CG2 3.36Å; V294-V298 PolarHBondContact O-N 3.45Å; V294-V306 HydrophobicContact CG1-CG1 4.16Å; V294-V306 HydrophobicContact CG1-CG2 3.86Å; V294-L319 HydrophobicContact CB-CD2 4.43Å; V294-L319 HydrophobicContact CG2-CD2 4.36Å; V294-F323 HydrophobicContact CG1-CE2 3.69Å; V294-F323 HydrophobicContact CG1-CZ 3.75Å; V294-I351 HydrophobicContact CG2-CD1 4.34Å
295	K	98.6	Very high	98.5	Very high	88 Å²	88	55.9 Å²	55.9	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-57.8	-46.1	175.8	-167.2	-169.6	-163.4	166	0	112.3	Q291 R292 A293 K299 F322	Q291-K295 WeakPolarHBondContact O-CB 3.34Å; Q291-K295 PolarHBondContact O-N 2.99Å; R292-K295 PolarHBondContact O-N 3.09Å; A293-K295 VanDerWaalsContact C-N 3.35Å; A293-K295 PolarHBondContact O-N 2.94Å; K295-K299 HydrophobicContact CG-CD 4.27Å; K295-K299 WeakPolarHBondContact O-CB 3.43Å; K295-K299 VanDerWaalsContact O-CG 3.32Å; K295-K299 WeakPolarHBondContact O-CG 3.43Å; K295-K299 PolarHBondContact O-N 3.29Å; K295-F322 HydrophobicContact CB-CE1 3.71Å; K295-F322 HydrophobicContact CB-CZ 4.06Å; K295-F322 HydrophobicContact CD-CE1 4.09Å; K295-F322 HydrophobicContact CD-CZ 3.84Å; K295-F322 HydrophobicContact CG-CE1 3.84Å; K295-F322 HydrophobicContact CG-CZ 4.12Å
296	L	98.6	Very high	98.5	Very high	74 Å²	74	55.6 Å²	55.6	39%	0.387	27%	0.27	S	S	.	.	H	α-helix	trans	-56.4	-53.2	-178.3	172.4	63.8	0	0	0	110	R292 A293 V294 K299 S300 D379	R292-L296 PolarHBondContact O-N 3.18Å; A293-L296 WeakPolarHBondContact O-CB 3.48Å; A293-L296 PolarHBondContact O-N 3.46Å; V294-L296 VanDerWaalsContact C-N 3.34Å; V294-L296 PolarHBondContact O-N 3.29Å; L296-K299 PolarHBondContact O-N 3.37Å; L296-S300 WeakPolarHBondContact O-CB 3.43Å; L296-S300 PolarHBondContact O-N 3.29Å; L296-D379 HydrophobicContact CD2-CB 4Å; L296-D379 VanDerWaalsContact CD2-OD2 3.26Å; L296-D379 WeakPolarHBondContact CD2-OD2 3.49Å
297	W	98.6	Very high	98.6	Very high	44 Å²	44	51.3 Å²	51.3	17%	0.167	25%	0.247	C	C	.	.	H	α-helix	trans	-78.2	-35	-173.6	-67.6	110.1	0	0	0	113.5	V235 A293 V294 K299 S300 L301 H349 I351 S374 D379	V235-W297 HydrophobicContact CG1-CB 4.33Å; V235-W297 HydrophobicContact CG2-CB 4.17Å; A293-W297 VanDerWaalsContact O-CD1 3.23Å; A293-W297 PolarHBondContact O-N 3.39Å; V294-W297 PolarHBondContact O-N 3.31Å; W297-K299 VanDerWaalsContact C-N 3.31Å; W297-K299 PolarHBondContact O-N 3.38Å; W297-S300 PolarHBondContact O-N 3.28Å; W297-L301 HydrophobicContact CE3-CD1 3.98Å; W297-L301 WeakPolarHBondContact O-CD1 3.48Å; W297-L301 PolarHBondContact O-N 3.33Å; W297-H349 AromaticContact CD1-CD2 3.92Å; W297-H349 AromaticContact CD1-NE2 3.7Å; W297-H349 AromaticContact CD2-CD2 3.5Å; W297-H349 AromaticContact CD2-CE1 3.41Å; W297-H349 VanDerWaalsContact CD2-CE1 3.41Å; W297-H349 AromaticContact CD2-CG 3.94Å; W297-H349 AromaticContact CD2-ND1 3.92Å; W297-H349 AromaticContact CD2-NE2 3.15Å; W297-H349 AromaticContact CE2-CE1 3.5Å; W297-H349 VanDerWaalsContact CE2-CE1 3.5Å; W297-H349 AromaticContact CE2-NE2 3.19Å; W297-H349 AromaticContact CE3-CD2 3.88Å; W297-H349 AromaticContact CE3-CE1 3.35Å; W297-H349 AromaticContact CE3-CG 3.83Å; W297-H349 AromaticContact CE3-ND1 3.53Å; W297-H349 AromaticContact CE3-NE2 3.6Å; W297-H349 AromaticContact CG-CD2 3.45Å; W297-H349 VanDerWaalsContact CG-CD2 3.45Å; W297-H349 AromaticContact CG-NE2 3.49Å; W297-H349 AromaticContact CH2-CE1 3.46Å; W297-H349 VanDerWaalsContact CH2-CE1 3.46Å; W297-H349 WeakPolarHBondContact CH2-CE1 3.46Å; W297-H349 AromaticContact CZ2-CE1 3.53Å; W297-H349 AromaticContact CZ2-NE2 3.67Å; W297-H349 AromaticContact CZ3-CE1 3.38Å; W297-H349 WeakPolarHBondContact CZ3-CE1 3.34Å; W297-H349 AromaticContact CZ3-ND1 3.69Å; W297-H349 AromaticContact NE1-NE2 3.53Å; W297-I351 HydrophobicContact CB-CD1 4.24Å; W297-I351 HydrophobicContact CG-CD1 4.17Å; W297-I351 HydrophobicContact CG-CG1 4.41Å; W297-S374 PolarHBondContact NE1-OG 2.95Å; W297-D379 HydrophobicContact CZ2-CB 4.35Å; W297-D379 WeakPolarHBondContact CZ2-O 3.29Å
298	V	98.6	Very high	98.6	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-45.1	171.2	165.6	0	0	0	0	110.7	V235 V294 D302 A303 V306 F323 V327	V235-V298 HydrophobicContact CB-CG2 4.47Å; V235-V298 HydrophobicContact CG2-CG2 3.96Å; V294-V298 HydrophobicContact CG1-CG2 3.89Å; V294-V298 VanDerWaalsContact O-CB 3.24Å; V294-V298 WeakPolarHBondContact O-CB 3.32Å; V294-V298 WeakPolarHBondContact O-CG2 3.36Å; V294-V298 PolarHBondContact O-N 3.45Å; V298-D302 WeakPolarHBondContact O-CA 3.44Å; V298-D302 PolarHBondContact O-N 3.46Å; V298-A303 HydrophobicContact CB-CB 4.4Å; V298-A303 HydrophobicContact CG1-CB 4.34Å; V298-A303 HydrophobicContact CG2-CB 4.3Å; V298-A303 PolarHBondContact O-N 3.03Å; V298-V306 HydrophobicContact CG2-CG2 3.57Å; V298-F323 HydrophobicContact CB-CE1 4.03Å; V298-F323 HydrophobicContact CB-CZ 4.06Å; V298-F323 HydrophobicContact CG1-CD1 4.3Å; V298-F323 HydrophobicContact CG1-CE1 3.72Å; V298-F323 HydrophobicContact CG1-CZ 4.17Å; V298-F323 HydrophobicContact CG2-CE1 4.31Å; V298-F323 HydrophobicContact CG2-CE2 4.48Å; V298-F323 HydrophobicContact CG2-CZ 3.9Å; V298-V327 HydrophobicContact CG1-CG1 4.35Å; V298-V327 HydrophobicContact CG1-CG2 3.83Å
299	K	98.3	Very high	98.6	Very high	150 Å²	150	41.2 Å²	41.2	65%	0.652	20%	0.2	S	C	*	.	H	α-helix	trans	-67.5	-40	176.3	-75.7	-173.1	170.5	-157.7	0	113	K295 L296 W297 L301 D302	K295-K299 HydrophobicContact CG-CD 4.27Å; K295-K299 WeakPolarHBondContact O-CB 3.43Å; K295-K299 VanDerWaalsContact O-CG 3.32Å; K295-K299 WeakPolarHBondContact O-CG 3.43Å; K295-K299 PolarHBondContact O-N 3.29Å; L296-K299 PolarHBondContact O-N 3.37Å; W297-K299 VanDerWaalsContact C-N 3.31Å; W297-K299 PolarHBondContact O-N 3.38Å; K299-L301 PolarHBondContact O-N 2.87Å; K299-D302 PolarHBondContact O-N 3.28Å
300	S	98.1	Very high	98.6	Very high	84 Å²	84	41 Å²	41	59%	0.587	20%	0.201	S	C	*	.	H	α-helix	trans	-65.2	-29.7	-178.8	-173.2	0	0	0	0	112.8	L296 W297	L296-S300 WeakPolarHBondContact O-CB 3.43Å; L296-S300 PolarHBondContact O-N 3.29Å; W297-S300 PolarHBondContact O-N 3.28Å
301	L	98	Very high	98.5	Very high	46 Å²	46	43.5 Å²	43.5	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-101.6	-6.9	-179.4	-81.4	85.5	0	0	0	113.8	P233 W297 K299 A303 D348 H349	P233-L301 HydrophobicContact CB-CB 4.38Å; P233-L301 HydrophobicContact CB-CD2 4.29Å; W297-L301 HydrophobicContact CE3-CD1 3.98Å; W297-L301 WeakPolarHBondContact O-CD1 3.48Å; W297-L301 PolarHBondContact O-N 3.33Å; K299-L301 PolarHBondContact O-N 2.87Å; L301-A303 HydrophobicContact CB-CB 4.21Å; L301-A303 PolarHBondContact O-N 2.74Å; L301-D348 HydrophobicContact CD2-CB 3.59Å; L301-H349 HydrophobicContact CD1-CB 3.81Å; L301-H349 HydrophobicContact CD2-CB 3.8Å
302	D	98.1	Very high	98.3	Very high	123 Å²	123	43.6 Å²	43.6	66%	0.658	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	44.4	-162.2	-161.9	37	0	0	0	112	V298 K299 Q304	V298-D302 WeakPolarHBondContact O-CA 3.44Å; V298-D302 PolarHBondContact O-N 3.46Å; K299-D302 PolarHBondContact O-N 3.28Å; D302-Q304 PolarHBondContact O-NE2 3.22Å
303	A	98.6	Very high	98.2	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	22%	0.221	C	C	.	.			trans	-67.1	136.5	-170.8	0	0	0	0	0	111.7	P233 V235 V298 L301	P233-A303 CarbonylContact O-C 3.49Å; P233-A303 VanDerWaalsContact O-CA 3.24Å; P233-A303 WeakPolarHBondContact O-CA 3.21Å; P233-A303 WeakPolarHBondContact O-CB 3.31Å; V235-A303 HydrophobicContact CG2-CB 3.94Å; V298-A303 HydrophobicContact CB-CB 4.4Å; V298-A303 HydrophobicContact CG1-CB 4.34Å; V298-A303 HydrophobicContact CG2-CB 4.3Å; V298-A303 PolarHBondContact O-N 3.03Å; L301-A303 HydrophobicContact CB-CB 4.21Å; L301-A303 PolarHBondContact O-N 2.74Å
304	Q	98.6	Very high	98.1	Very high	83 Å²	83	43.9 Å²	43.9	39%	0.388	23%	0.227	S	C	.	.	S	Bend	trans	-88.5	-23.4	-178.2	-58.9	-59.4	-52	0	0	112.2	V231 P233 D302 K328	V231-Q304 HydrophobicContact CB-CB 3.88Å; V231-Q304 HydrophobicContact CG1-CB 3.69Å; V231-Q304 HydrophobicContact CG1-CG 4.1Å; P233-Q304 PolarHBondContact O-N 3.48Å; D302-Q304 PolarHBondContact O-NE2 3.22Å; Q304-K328 PolarHBondContact O-N 2.95Å
305	S	98.8	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	162.7	177.7	64.3	0	0	0	0	114.4	V231 Y234 V235 K328	V231-S305 PolarHBondContact N-OG 2.91Å; V231-S305 PolarHBondContact O-OG 2.98Å; Y234-S305 WeakPolarHBondContact CA-O 3.47Å; Y234-S305 WeakPolarHBondContact CB-O 3.47Å; Y234-S305 VanDerWaalsContact CB-OG 3.22Å; Y234-S305 WeakPolarHBondContact CB-OG 3.45Å; V235-S305 PolarHBondContact N-O 2.86Å; V235-S305 VanDerWaalsContact N-O 3.09Å; S305-K328 CarbonylContact C-O 3.48Å; S305-K328 WeakPolarHBondContact CA-O 3.48Å; S305-K328 VanDerWaalsContact CB-O 3.23Å; S305-K328 WeakPolarHBondContact CB-O 3.41Å
306	V	98.9	Very high	98.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.7	174.9	178.5	0	0	0	0	108.6	V235 I237 V294 V298 V308 V327 K328 V329 V330	V235-V306 HydrophobicContact CB-CG2 4.46Å; V235-V306 CarbonylContact O-C 3.42Å; V235-V306 VanDerWaalsContact O-CA 3.27Å; V235-V306 WeakPolarHBondContact O-CA 3.39Å; I237-V306 HydrophobicContact CD1-CG1 4.48Å; V294-V306 HydrophobicContact CG1-CG1 4.16Å; V294-V306 HydrophobicContact CG1-CG2 3.86Å; V298-V306 HydrophobicContact CG2-CG2 3.57Å; V306-V308 HydrophobicContact CG1-CG2 4.22Å; V306-V327 HydrophobicContact CG2-CG1 3.94Å; V306-K328 PolarHBondContact N-O 3.46Å; V306-V329 HydrophobicContact CB-CG1 4.34Å; V306-V329 HydrophobicContact CB-CG2 4.42Å; V306-V330 PolarHBondContact O-N 3.36Å
307	Y	98.9	Very high	98.1	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.2	171.5	-174.7	-98.9	0	0	0	110.7	L230 V235 G236 I237 A309 V330 L332 D340 I343 L344	L230-Y307 HydrophobicContact CD1-CD2 3.91Å; L230-Y307 HydrophobicContact CD1-CG 4.2Å; L230-Y307 HydrophobicContact CD2-CD2 4.15Å; L230-Y307 HydrophobicContact CG-CD2 4.44Å; V235-Y307 PolarHBondContact O-N 2.04Å; G236-Y307 CarbonylContact C-O 3.53Å; G236-Y307 WeakPolarHBondContact CA-O 3.38Å; I237-Y307 PolarHBondContact N-O 3.32Å; Y307-A309 HydrophobicContact CE1-CB 4.11Å; Y307-V330 CarbonylContact C-O 3.59Å; Y307-V330 HydrophobicContact CD2-CG1 4.39Å; Y307-L332 HydrophobicContact CE2-CB 4.41Å; Y307-L332 HydrophobicContact CE2-CD1 3.78Å; Y307-L332 HydrophobicContact CE2-CG 3.84Å; Y307-D340 WeakPolarHBondContact CE1-OD1 3.35Å; Y307-D340 PolarHBondContact OH-OD1 2.86Å; Y307-I343 HydrophobicContact CD1-CB 4.23Å; Y307-I343 HydrophobicContact CD1-CG2 3.55Å; Y307-I343 HydrophobicContact CD2-CG2 3.73Å; Y307-I343 HydrophobicContact CE1-CB 3.94Å; Y307-I343 HydrophobicContact CE1-CD1 4.37Å; Y307-I343 HydrophobicContact CE1-CG2 3.71Å; Y307-I343 HydrophobicContact CE2-CB 4.49Å; Y307-I343 HydrophobicContact CE2-CD1 3.84Å; Y307-I343 HydrophobicContact CE2-CG2 3.85Å; Y307-I343 HydrophobicContact CG-CG2 3.56Å; Y307-I343 WeakPolarHBondContact OH-CD1 3.35Å; Y307-L344 HydrophobicContact CD1-CD2 4.04Å
308	V	98.9	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	105.2	-179.6	-172.2	0	0	0	0	110.7	I237 L239 V306 L319 V329 V330 S331	I237-V308 HydrophobicContact CD1-CB 4.43Å; I237-V308 HydrophobicContact CD1-CG1 4.12Å; I237-V308 HydrophobicContact CD1-CG2 3.84Å; I237-V308 HydrophobicContact CG1-CB 4.16Å; I237-V308 HydrophobicContact CG1-CG1 3.99Å; I237-V308 HydrophobicContact CG1-CG2 3.95Å; L239-V308 HydrophobicContact CD1-CG1 3.56Å; L239-V308 HydrophobicContact CG-CG1 3.93Å; V306-V308 HydrophobicContact CG1-CG2 4.22Å; V308-L319 HydrophobicContact CG2-CD1 4.16Å; V308-V329 HydrophobicContact CG2-CG1 3.99Å; V308-V330 PolarHBondContact N-O 3.13Å; V308-S331 PolarHBondContact O-OG 3.39Å; V308-S331 VanDerWaalsContact O-OG 3.06Å
309	A	98.9	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.6	162.9	0	0	0	0	0	108.9	I237 H238 L239 Y307 D340 L344	I237-A309 PolarHBondContact O-N 3.2Å; H238-A309 WeakPolarHBondContact CA-O 3.26Å; L239-A309 PolarHBondContact N-O 2.81Å; Y307-A309 HydrophobicContact CE1-CB 4.11Å; A309-D340 HydrophobicContact CB-CB 3.76Å; A309-L344 HydrophobicContact CB-CD1 3.68Å; A309-L344 HydrophobicContact CB-CD2 4.13Å; A309-L344 HydrophobicContact CB-CG 4.06Å
310	T	98.6	Very high	98	Very high	18 Å²	18	40.8 Å²	40.8	11%	0.11	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147	-177.4	-177	0	0	0	0	112.1	L239 S312 E313 K333	L239-T310 WeakPolarHBondContact O-CA 3.46Å; L239-T310 PolarHBondContact O-OG1 2.86Å; T310-S312 VanDerWaalsContact C-N 3.25Å; T310-S312 PolarHBondContact OG1-N 2.76Å; T310-E313 WeakPolarHBondContact CB-O 3.43Å; T310-E313 PolarHBondContact OG1-O 3.07Å; T310-K333 HydrophobicContact CG2-CD 4.44Å; T310-K333 HydrophobicContact CG2-CG 4.32Å
311	D	96.9	Very high	97.9	Very high	52 Å²	52	43.7 Å²	43.7	28%	0.278	23%	0.228	S	C	.	.	S	Bend	trans	-77.3	-10.9	169	65.2	-7.6	0	0	0	113.8	L239 R240 I241 G242	L239-D311 PolarHBondContact O-N 2.6Å; L239-D311 VanDerWaalsContact O-N 3.13Å; R240-D311 WeakPolarHBondContact CA-OD2 3.17Å; R240-D311 VanDerWaalsContact CD-OD2 3.23Å; R240-D311 WeakPolarHBondContact CD-OD2 3.31Å; R240-D311 IonicContact CZ-OD2 2.73Å; R240-D311 IonicContact NE-OD2 3.46Å; R240-D311 VanDerWaalsContact NH1-CB 3.33Å; R240-D311 IonicContact NH1-OD2 3.83Å; R240-D311 PolarHBondContact NH1-OD2 2.79Å; I241-D311 PolarHBondContact N-OD1 2.55Å; I241-D311 PolarHBondContact N-OD2 2.91Å; I241-D311 VanDerWaalsContact N-OD2 3.09Å; G242-D311 WeakPolarHBondContact CA-OD2 3.19Å; G242-D311 VanDerWaalsContact N-CG 3.27Å; G242-D311 PolarHBondContact N-OD1 3.47Å; G242-D311 PolarHBondContact N-OD2 2.93Å
312	S	95.4	Very high	97.8	Very high	45 Å²	45	44.8 Å²	44.8	32%	0.315	23%	0.231	S	C	.	.	S	Bend	trans	-157.1	-106.1	-169.6	56	0	0	0	0	112.4	G242 T310 K333	G242-S312 WeakPolarHBondContact CA-OG 3.22Å; G242-S312 PolarHBondContact N-OG 3.19Å; T310-S312 VanDerWaalsContact C-N 3.25Å; T310-S312 PolarHBondContact OG1-N 2.76Å; S312-K333 PolarHBondContact O-NZ 3.14Å
313	E	96.3	Very high	97.8	Very high	84 Å²	84	40 Å²	40	39%	0.393	21%	0.205	S	C	.	.			trans	-85.4	149.6	176.8	65.3	-176.8	142.7	0	0	111.6	I241 T310 Y315	I241-E313 HydrophobicContact CD1-CG 3.76Å; I241-E313 HydrophobicContact CG1-CG 4.43Å; T310-E313 WeakPolarHBondContact CB-O 3.43Å; T310-E313 PolarHBondContact OG1-O 3.07Å; E313-Y315 VanDerWaalsContact CD-CE1 3.43Å; E313-Y315 VanDerWaalsContact CD-CZ 3.46Å; E313-Y315 VanDerWaalsContact CD-OH 3.26Å; E313-Y315 HydrophobicContact CG-CE1 4.06Å; E313-Y315 HydrophobicContact CG-CE2 4.42Å; E313-Y315 PolarHBondContact OE1-OH 2.87Å; E313-Y315 WeakPolarHBondContact OE2-CE1 3.42Å
314	S	96.9	Very high	97.6	Very high	17 Å²	17	48 Å²	48	12%	0.119	24%	0.239	C	C	.	.			trans	-108.1	-10.7	-171.6	58.6	0	0	0	0	114.7	V316 S331	S314-V316 PolarHBondContact O-N 2.82Å; S314-V316 WeakPolarHBondContact OG-CG2 3.49Å; S314-S331 WeakPolarHBondContact CB-OG 3.02Å
315	Y	98.2	Very high	97.1	Very high	44 Å²	44	46.8 Å²	46.8	17%	0.173	25%	0.249	C	C	.	.			trans	48.1	27.8	-171.3	-60.3	-50.9	0	0	0	114.9	L239 I241 L287 I290 E313 E318 L319	L239-Y315 HydrophobicContact CD1-CD2 4.28Å; I241-Y315 HydrophobicContact CD1-CD2 3.98Å; I241-Y315 HydrophobicContact CD1-CE2 3.37Å; L287-Y315 HydrophobicContact CD1-CD1 4.19Å; L287-Y315 HydrophobicContact CD1-CD2 3.95Å; L287-Y315 HydrophobicContact CD1-CE2 4.49Å; L287-Y315 HydrophobicContact CD1-CG 3.79Å; I290-Y315 HydrophobicContact CD1-CD2 3.8Å; I290-Y315 HydrophobicContact CD1-CE2 3.78Å; E313-Y315 VanDerWaalsContact CD-CE1 3.43Å; E313-Y315 VanDerWaalsContact CD-CZ 3.46Å; E313-Y315 VanDerWaalsContact CD-OH 3.26Å; E313-Y315 HydrophobicContact CG-CE1 4.06Å; E313-Y315 HydrophobicContact CG-CE2 4.42Å; E313-Y315 PolarHBondContact OE1-OH 2.87Å; E313-Y315 WeakPolarHBondContact OE2-CE1 3.42Å; Y315-E318 WeakPolarHBondContact CA-OE2 3.4Å; Y315-E318 PolarHBondContact O-N 3.36Å; Y315-L319 WeakPolarHBondContact O-CB 3.39Å; Y315-L319 VanDerWaalsContact O-CG 3.3Å; Y315-L319 WeakPolarHBondContact O-CG 3.24Å; Y315-L319 PolarHBondContact O-N 2.88Å
316	V	97.9	Very high	96.9	Very high	33 Å²	33	55.1 Å²	55.1	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-48	-179.1	166.2	0	0	0	0	111.6	S314 E318 L319 Q320 V329	S314-V316 PolarHBondContact O-N 2.82Å; S314-V316 WeakPolarHBondContact OG-CG2 3.49Å; V316-E318 VanDerWaalsContact C-N 3.33Å; V316-E318 PolarHBondContact O-N 3.3Å; V316-L319 PolarHBondContact O-N 3.41Å; V316-Q320 WeakPolarHBondContact O-CB 3.39Å; V316-Q320 PolarHBondContact O-N 2.79Å; V316-V329 HydrophobicContact CG1-CG1 4.4Å; V316-V329 HydrophobicContact CG2-CG1 4.17Å
317	P	97.7	Very high	96.9	Very high	95 Å²	95	55.6 Å²	55.6	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-57.5	-43.9	177.9	-25.3	35.3	0	0	0	113	Q320 Q321	P317-Q320 PolarHBondContact O-N 2.9Å; P317-Q321 VanDerWaalsContact O-CB 3.28Å; P317-Q321 WeakPolarHBondContact O-CB 3.26Å; P317-Q321 PolarHBondContact O-N 2.93Å
318	E	98.3	Very high	96.8	Very high	73 Å²	73	60 Å²	60	34%	0.341	31%	0.307	S	S	.	.	H	α-helix	trans	-67.3	-43.2	-178.1	-62.8	86	163.3	0	0	111.4	L287 Y315 V316 F322	L287-E318 HydrophobicContact CD1-CB 4.12Å; L287-E318 HydrophobicContact CD2-CB 4.19Å; L287-E318 HydrophobicContact CD2-CG 3.99Å; Y315-E318 WeakPolarHBondContact CA-OE2 3.4Å; Y315-E318 PolarHBondContact O-N 3.36Å; V316-E318 VanDerWaalsContact C-N 3.33Å; V316-E318 PolarHBondContact O-N 3.3Å; E318-F322 VanDerWaalsContact O-CB 3.24Å; E318-F322 WeakPolarHBondContact O-CB 3.26Å; E318-F322 PolarHBondContact O-N 3.47Å
319	L	97.9	Very high	96.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.9	-42.4	176.3	-71	174	0	0	0	111.5	I237 I290 Q291 V294 V308 Y315 V316 Q321 F322 F323 V329	I237-L319 HydrophobicContact CD1-CD1 4.14Å; I290-L319 HydrophobicContact CG2-CD2 4.31Å; Q291-L319 HydrophobicContact CG-CD2 4.15Å; V294-L319 HydrophobicContact CB-CD2 4.43Å; V294-L319 HydrophobicContact CG2-CD2 4.36Å; V308-L319 HydrophobicContact CG2-CD1 4.16Å; Y315-L319 WeakPolarHBondContact O-CB 3.39Å; Y315-L319 VanDerWaalsContact O-CG 3.3Å; Y315-L319 WeakPolarHBondContact O-CG 3.24Å; Y315-L319 PolarHBondContact O-N 2.88Å; V316-L319 PolarHBondContact O-N 3.41Å; L319-Q321 VanDerWaalsContact C-N 3.34Å; L319-Q321 PolarHBondContact O-N 2.97Å; L319-F322 WeakPolarHBondContact O-CB 3.36Å; L319-F322 PolarHBondContact O-N 2.71Å; L319-F323 WeakPolarHBondContact O-CD2 3.35Å; L319-F323 PolarHBondContact O-N 2.91Å; L319-F323 VanDerWaalsContact O-N 3.15Å; L319-V329 HydrophobicContact CB-CG1 3.98Å; L319-V329 HydrophobicContact CB-CG2 4.13Å; L319-V329 HydrophobicContact CD1-CG1 4.27Å
320	Q	97.2	Very high	96.8	Very high	55 Å²	55	61.1 Å²	61.1	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-42	179.5	-170.5	60.5	76.5	0	0	111.5	V316 P317 F323 K324 G325 V327 V329	V316-Q320 WeakPolarHBondContact O-CB 3.39Å; V316-Q320 PolarHBondContact O-N 2.79Å; P317-Q320 PolarHBondContact O-N 2.9Å; Q320-F323 PolarHBondContact O-N 2.84Å; Q320-K324 PolarHBondContact O-N 3.39Å; Q320-G325 PolarHBondContact O-N 2.74Å; Q320-V327 PolarHBondContact NE2-O 3.04Å; Q320-V329 HydrophobicContact CB-CB 4.44Å; Q320-V329 HydrophobicContact CB-CG2 4.33Å
321	Q	97.1	Very high	96.8	Very high	144 Å²	144	61.8 Å²	61.8	67%	0.673	32%	0.319	S	S	*	.	H	α-helix	trans	-65.3	-41.2	174	-179.7	60.2	19.5	0	0	111.7	P317 L319 F323 K324	P317-Q321 VanDerWaalsContact O-CB 3.28Å; P317-Q321 WeakPolarHBondContact O-CB 3.26Å; P317-Q321 PolarHBondContact O-N 2.93Å; L319-Q321 VanDerWaalsContact C-N 3.34Å; L319-Q321 PolarHBondContact O-N 2.97Å; Q321-F323 PolarHBondContact O-N 2.86Å; Q321-K324 PolarHBondContact O-N 3.38Å
322	F	96.3	Very high	96.9	Very high	69 Å²	69	61.8 Å²	61.8	30%	0.303	32%	0.319	S	S	.	.	H	α-helix	trans	-58.6	-35.8	178.6	-176.9	-95.7	0	0	0	112.7	Q291 K295 E318 L319	Q291-F322 HydrophobicContact CB-CD2 4.29Å; Q291-F322 HydrophobicContact CB-CE2 4.04Å; Q291-F322 HydrophobicContact CB-CZ 4.16Å; Q291-F322 HydrophobicContact CG-CD2 4.11Å; Q291-F322 HydrophobicContact CG-CE2 4.37Å; Q291-F322 HydrophobicContact CG-CG 4.32Å; K295-F322 HydrophobicContact CB-CE1 3.71Å; K295-F322 HydrophobicContact CB-CZ 4.06Å; K295-F322 HydrophobicContact CD-CE1 4.09Å; K295-F322 HydrophobicContact CD-CZ 3.84Å; K295-F322 HydrophobicContact CG-CE1 3.84Å; K295-F322 HydrophobicContact CG-CZ 4.12Å; E318-F322 VanDerWaalsContact O-CB 3.24Å; E318-F322 WeakPolarHBondContact O-CB 3.26Å; E318-F322 PolarHBondContact O-N 3.47Å; L319-F322 WeakPolarHBondContact O-CB 3.36Å; L319-F322 PolarHBondContact O-N 2.71Å
323	F	96.6	Very high	97	Very high	23 Å²	23	65 Å²	65	10%	0.101	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3	174.7	-67.5	-68.1	0	0	0	114.6	V294 V298 L319 Q320 Q321 G325 K326 V327 V329	V294-F323 HydrophobicContact CG1-CE2 3.69Å; V294-F323 HydrophobicContact CG1-CZ 3.75Å; V298-F323 HydrophobicContact CB-CE1 4.03Å; V298-F323 HydrophobicContact CB-CZ 4.06Å; V298-F323 HydrophobicContact CG1-CD1 4.3Å; V298-F323 HydrophobicContact CG1-CE1 3.72Å; V298-F323 HydrophobicContact CG1-CZ 4.17Å; V298-F323 HydrophobicContact CG2-CE1 4.31Å; V298-F323 HydrophobicContact CG2-CE2 4.48Å; V298-F323 HydrophobicContact CG2-CZ 3.9Å; L319-F323 WeakPolarHBondContact O-CD2 3.35Å; L319-F323 PolarHBondContact O-N 2.91Å; L319-F323 VanDerWaalsContact O-N 3.15Å; Q320-F323 PolarHBondContact O-N 2.84Å; Q321-F323 PolarHBondContact O-N 2.86Å; F323-G325 PolarHBondContact O-N 3.2Å; F323-K326 WeakPolarHBondContact O-CB 3.19Å; F323-K326 PolarHBondContact O-N 2.92Å; F323-V327 HydrophobicContact CB-CB 3.9Å; F323-V327 HydrophobicContact CB-CG2 4.15Å; F323-V327 HydrophobicContact CD1-CB 4.3Å; F323-V327 HydrophobicContact CD1-CG2 3.94Å; F323-V327 HydrophobicContact CD2-CB 4.3Å; F323-V327 HydrophobicContact CG-CB 3.91Å; F323-V327 HydrophobicContact CG-CG2 4.05Å; F323-V329 HydrophobicContact CD2-CG2 4.37Å
324	K	95.9	Very high	97	Very high	172 Å²	172	62.6 Å²	62.6	75%	0.748	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	37.1	-180	-55.6	-178.9	179.3	-174.6	0	112.9	Q320 Q321 K326	Q320-K324 PolarHBondContact O-N 3.39Å; Q321-K324 PolarHBondContact O-N 3.38Å; K324-K326 PolarHBondContact O-N 3.03Å
325	G	88.4	Confident	96.9	Very high	57 Å²	57	69.7 Å²	69.7	59%	0.588	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-3.2	-178.9	0	0	0	0	0	116.1	Q320 F323 V327	Q320-G325 PolarHBondContact O-N 2.74Å; F323-G325 PolarHBondContact O-N 3.2Å; G325-V327 VanDerWaalsContact C-N 3.3Å; G325-V327 PolarHBondContact O-N 3.34Å
326	K	94.3	Very high	96.9	Very high	174 Å²	174	70.2 Å²	70.2	76%	0.757	36%	0.358	S	S	*	.	S	Bend	trans	-73.3	-21.9	-177.3	-63.6	-173.2	177	-169.8	0	114.1	F323 K324	F323-K326 WeakPolarHBondContact O-CB 3.19Å; F323-K326 PolarHBondContact O-N 2.92Å; K324-K326 PolarHBondContact O-N 3.03Å
327	V	97.8	Very high	96.9	Very high	12 Å²	12	70.4 Å²	70.4	7%	0.073	36%	0.363	C	S	.	.	S	Bend	trans	-125.4	128.3	-178.5	-179.9	0	0	0	0	107	V298 V306 Q320 F323 G325 V329	V298-V327 HydrophobicContact CG1-CG1 4.35Å; V298-V327 HydrophobicContact CG1-CG2 3.83Å; V306-V327 HydrophobicContact CG2-CG1 3.94Å; Q320-V327 PolarHBondContact NE2-O 3.04Å; F323-V327 HydrophobicContact CB-CB 3.9Å; F323-V327 HydrophobicContact CB-CG2 4.15Å; F323-V327 HydrophobicContact CD1-CB 4.3Å; F323-V327 HydrophobicContact CD1-CG2 3.94Å; F323-V327 HydrophobicContact CD2-CB 4.3Å; F323-V327 HydrophobicContact CG-CB 3.91Å; F323-V327 HydrophobicContact CG-CG2 4.05Å; G325-V327 VanDerWaalsContact C-N 3.3Å; G325-V327 PolarHBondContact O-N 3.34Å; V327-V329 PolarHBondContact O-N 2.73Å
328	K	98.4	Very high	97	Very high	93 Å²	93	66.1 Å²	66.1	40%	0.404	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.8	-179.6	-174.9	-176.8	-176.7	-176.1	0	110	H229 Q304 S305 V306 V330	H229-K328 WeakPolarHBondContact O-CD 3.37Å; H229-K328 WeakPolarHBondContact O-CE 3.27Å; H229-K328 PolarHBondContact O-NZ 2.91Å; Q304-K328 PolarHBondContact O-N 2.95Å; S305-K328 CarbonylContact C-O 3.48Å; S305-K328 WeakPolarHBondContact CA-O 3.48Å; S305-K328 VanDerWaalsContact CB-O 3.23Å; S305-K328 WeakPolarHBondContact CB-O 3.41Å; V306-K328 PolarHBondContact N-O 3.46Å; K328-V330 HydrophobicContact CD-CG2 4.2Å; K328-V330 HydrophobicContact CG-CG2 3.99Å
329	V	98.6	Very high	97	Very high	10 Å²	10	63.2 Å²	63.2	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.6	177.5	-171	0	0	0	0	109.6	V306 V308 V316 L319 Q320 F323 V327	V306-V329 HydrophobicContact CB-CG1 4.34Å; V306-V329 HydrophobicContact CB-CG2 4.42Å; V308-V329 HydrophobicContact CG2-CG1 3.99Å; V316-V329 HydrophobicContact CG1-CG1 4.4Å; V316-V329 HydrophobicContact CG2-CG1 4.17Å; L319-V329 HydrophobicContact CB-CG1 3.98Å; L319-V329 HydrophobicContact CB-CG2 4.13Å; L319-V329 HydrophobicContact CD1-CG1 4.27Å; Q320-V329 HydrophobicContact CB-CB 4.44Å; Q320-V329 HydrophobicContact CB-CG2 4.33Å; F323-V329 HydrophobicContact CD2-CG2 4.37Å; V327-V329 PolarHBondContact O-N 2.73Å
330	V	98.6	Very high	97	Very high	14 Å²	14	63.6 Å²	63.6	9%	0.085	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.9	-172.9	-179.3	0	0	0	0	110.4	H229 L230 V306 Y307 V308 K328 L332	H229-V330 HydrophobicContact CB-CG1 4.02Å; L230-V330 HydrophobicContact CD2-CB 3.96Å; L230-V330 HydrophobicContact CD2-CG2 3.91Å; V306-V330 PolarHBondContact O-N 3.36Å; Y307-V330 CarbonylContact C-O 3.59Å; Y307-V330 HydrophobicContact CD2-CG1 4.39Å; V308-V330 PolarHBondContact N-O 3.13Å; K328-V330 HydrophobicContact CD-CG2 4.2Å; K328-V330 HydrophobicContact CG-CG2 3.99Å; V330-L332 HydrophobicContact CG1-CD2 3.93Å; V330-L332 HydrophobicContact CG1-CG 4.13Å
331	S	98.6	Very high	97.1	Very high	32 Å²	32	61 Å²	61	22%	0.224	31%	0.312	C	S	.	.			trans	-137	122	165.9	-175.6	0	0	0	0	108.2	V308 S314	V308-S331 PolarHBondContact O-OG 3.39Å; V308-S331 VanDerWaalsContact O-OG 3.06Å; S314-S331 WeakPolarHBondContact CB-OG 3.02Å
332	L	98.3	Very high	97.2	Very high	52 Å²	52	54.6 Å²	54.6	27%	0.272	28%	0.282	S	S	.	.			trans	-95.5	-30.1	-177.4	-61.8	177.8	0	0	0	112.9	Q225 Y307 V330 I343	Q225-L332 HydrophobicContact CB-CD1 3.94Å; Q225-L332 HydrophobicContact CG-CD1 4.17Å; Y307-L332 HydrophobicContact CE2-CB 4.41Å; Y307-L332 HydrophobicContact CE2-CD1 3.78Å; Y307-L332 HydrophobicContact CE2-CG 3.84Å; V330-L332 HydrophobicContact CG1-CD2 3.93Å; V330-L332 HydrophobicContact CG1-CG 4.13Å; L332-I343 HydrophobicContact CD1-CD1 4.03Å
333	K	97.7	Very high	97.3	Very high	112 Å²	112	51.3 Å²	51.3	49%	0.487	27%	0.267	S	S	.	.			trans	48	56	-176.1	-55.3	-170	-176.7	-166.4	0	112.6	T310 S312	T310-K333 HydrophobicContact CG2-CD 4.44Å; T310-K333 HydrophobicContact CG2-CG 4.32Å; S312-K333 PolarHBondContact O-NZ 3.14Å
334	P	97.3	Very high	97.5	Very high	34 Å²	34	50.2 Å²	50.2	22%	0.221	26%	0.262	C	S	.	.			trans	-62.2	142.8	-178.2	29.4	-35.1	0	0	0	110.9	V336 V339 D340	P334-V336 PolarHBondContact O-N 2.98Å; P334-V339 HydrophobicContact CB-CB 3.91Å; P334-V339 HydrophobicContact CB-CG1 4.19Å; P334-V339 HydrophobicContact CB-CG2 4.45Å; P334-V339 HydrophobicContact CG-CB 3.84Å; P334-V339 HydrophobicContact CG-CG1 4.16Å; P334-D340 VanDerWaalsContact CD-OD1 3.32Å; P334-D340 WeakPolarHBondContact CD-OD1 3.33Å; P334-D340 HydrophobicContact CG-CB 4.44Å
335	E	94.5	Very high	97.6	Very high	165 Å²	165	42 Å²	42	77%	0.771	23%	0.227	S	C	*	.	S	Bend	trans	-60.6	-37.3	171.9	-67.2	-162.5	150.6	0	0	111.1	K77 A337	K77-E335 IonicContact NZ-OE1 2.67Å; K77-E335 PolarHBondContact NZ-OE1 2.86Å; K77-E335 IonicContact NZ-OE2 2.86Å; K77-E335 PolarHBondContact NZ-OE2 3.3Å; E335-A337 PolarHBondContact O-N 3.05Å
336	V	97.7	Very high	98.1	Very high	55 Å²	55	40.5 Å²	40.5	33%	0.333	20%	0.204	S	C	.	.	S	Bend	trans	-85.4	97.3	174.6	-178.2	0	0	0	0	108.9	Y90 P334 Q338 V339	Y90-V336 HydrophobicContact CD1-CG1 4.49Å; Y90-V336 HydrophobicContact CE1-CG1 3.64Å; P334-V336 PolarHBondContact O-N 2.98Å; V336-Q338 HydrophobicContact CG1-CB 4.19Å; V336-Q338 PolarHBondContact O-N 2.88Å; V336-V339 HydrophobicContact CB-CG2 4.16Å; V336-V339 HydrophobicContact CG1-CG2 4.28Å; V336-V339 WeakPolarHBondContact O-CB 3.4Å; V336-V339 PolarHBondContact O-N 2.87Å
337	A	98.1	Very high	98.3	Very high	37 Å²	37	32.3 Å²	32.3	31%	0.306	17%	0.169	S	C	.	.	H	α-helix	trans	-58.6	-22.6	-175.7	0	0	0	0	0	113.9	E335 V339 D340 L341 F358	E335-A337 PolarHBondContact O-N 3.05Å; A337-V339 PolarHBondContact O-N 2.93Å; A337-D340 WeakPolarHBondContact O-CB 3.4Å; A337-D340 PolarHBondContact O-N 3.19Å; A337-D340 VanDerWaalsContact O-N 3.13Å; A337-L341 PolarHBondContact O-N 3.41Å; A337-F358 HydrophobicContact CB-CE2 3.95Å; A337-F358 HydrophobicContact CB-CZ 4.23Å; A337-F358 WeakPolarHBondContact O-CZ 3.11Å
338	Q	98.8	Very high	98.4	Very high	5 Å²	5	34 Å²	34	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-23	175.4	-68.2	77.1	2.4	0	0	112.4	F44 Y90 W214 M218 V336 L341 Y342	F44-Q338 HydrophobicContact CE2-CG 4.23Å; F44-Q338 HydrophobicContact CZ-CG 4.3Å; Y90-Q338 HydrophobicContact CD1-CB 4.24Å; Y90-Q338 HydrophobicContact CD1-CG 4.08Å; Y90-Q338 HydrophobicContact CD2-CG 3.88Å; Y90-Q338 HydrophobicContact CE1-CG 4.36Å; Y90-Q338 VanDerWaalsContact CE2-CD 3.49Å; Y90-Q338 HydrophobicContact CE2-CG 4.17Å; Y90-Q338 VanDerWaalsContact CE2-NE2 3.25Å; Y90-Q338 HydrophobicContact CG-CB 4.43Å; Y90-Q338 HydrophobicContact CG-CG 3.84Å; W214-Q338 HydrophobicContact CH2-CB 4.17Å; W214-Q338 HydrophobicContact CZ3-CB 3.92Å; W214-Q338 HydrophobicContact CZ3-CG 4.28Å; M218-Q338 VanDerWaalsContact CE-C 3.45Å; M218-Q338 HydrophobicContact CE-CB 3.7Å; M218-Q338 WeakPolarHBondContact CE-O 3.06Å; M218-Q338 HydrophobicContact SD-CB 4.34Å; V336-Q338 HydrophobicContact CG1-CB 4.19Å; V336-Q338 PolarHBondContact O-N 2.88Å; Q338-L341 HydrophobicContact CG-CD1 4.47Å; Q338-L341 PolarHBondContact O-N 2.89Å; Q338-Y342 PolarHBondContact O-N 2.85Å
339	V	98.9	Very high	98.4	Very high	12 Å²	12	29.8 Å²	29.8	7%	0.073	16%	0.16	C	C	.	.	H	α-helix	trans	-65.6	-41.4	173.1	176.3	0	0	0	0	110.3	M218 T221 Q225 P334 V336 A337 Y342 I343	M218-V339 HydrophobicContact CE-CG2 3.93Å; T221-V339 HydrophobicContact CG2-CG2 4.26Å; Q225-V339 HydrophobicContact CG-CG1 4.42Å; P334-V339 HydrophobicContact CB-CB 3.91Å; P334-V339 HydrophobicContact CB-CG1 4.19Å; P334-V339 HydrophobicContact CB-CG2 4.45Å; P334-V339 HydrophobicContact CG-CB 3.84Å; P334-V339 HydrophobicContact CG-CG1 4.16Å; V336-V339 HydrophobicContact CB-CG2 4.16Å; V336-V339 HydrophobicContact CG1-CG2 4.28Å; V336-V339 WeakPolarHBondContact O-CB 3.4Å; V336-V339 PolarHBondContact O-N 2.87Å; A337-V339 PolarHBondContact O-N 2.93Å; V339-Y342 PolarHBondContact O-N 2.88Å; V339-I343 HydrophobicContact CG1-CD1 3.86Å; V339-I343 VanDerWaalsContact O-CG1 3.31Å; V339-I343 WeakPolarHBondContact O-CG1 3.33Å; V339-I343 PolarHBondContact O-N 3.42Å
340	D	98.9	Very high	98.4	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-46.6	172.7	-84.1	-21.3	0	0	0	111	Y307 A309 P334 A337 Y342 I343 L344 F358	Y307-D340 WeakPolarHBondContact CE1-OD1 3.35Å; Y307-D340 PolarHBondContact OH-OD1 2.86Å; A309-D340 HydrophobicContact CB-CB 3.76Å; P334-D340 VanDerWaalsContact CD-OD1 3.32Å; P334-D340 WeakPolarHBondContact CD-OD1 3.33Å; P334-D340 HydrophobicContact CG-CB 4.44Å; A337-D340 WeakPolarHBondContact O-CB 3.4Å; A337-D340 PolarHBondContact O-N 3.19Å; A337-D340 VanDerWaalsContact O-N 3.13Å; D340-Y342 VanDerWaalsContact C-N 3.3Å; D340-Y342 PolarHBondContact O-N 3.26Å; D340-I343 PolarHBondContact O-N 3.33Å; D340-L344 WeakPolarHBondContact O-CB 3.47Å; D340-L344 WeakPolarHBondContact O-CG 3.04Å; D340-L344 PolarHBondContact O-N 2.85Å; D340-F358 HydrophobicContact CB-CE1 4.44Å; D340-F358 HydrophobicContact CB-CZ 4.21Å
341	L	98.9	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.1	-44.8	177.9	-67.4	174.9	0	0	0	112.1	F44 W214 A337 Q338 L344 G345 F358 F361 V362	F44-L341 HydrophobicContact CD1-CD1 3.59Å; F44-L341 HydrophobicContact CE1-CD1 3.18Å; F44-L341 HydrophobicContact CZ-CD1 4.07Å; W214-L341 HydrophobicContact CH2-CB 3.89Å; W214-L341 HydrophobicContact CH2-CD1 4.42Å; W214-L341 HydrophobicContact CZ2-CB 4.06Å; A337-L341 PolarHBondContact O-N 3.41Å; Q338-L341 HydrophobicContact CG-CD1 4.47Å; Q338-L341 PolarHBondContact O-N 2.89Å; L341-L344 PolarHBondContact O-N 3.35Å; L341-G345 PolarHBondContact O-N 2.91Å; L341-F358 HydrophobicContact CD1-CD2 4.27Å; L341-F358 HydrophobicContact CD1-CE2 3.8Å; L341-F358 HydrophobicContact CD1-CZ 4.14Å; L341-F358 HydrophobicContact CD2-CD1 3.54Å; L341-F358 HydrophobicContact CD2-CD2 3.85Å; L341-F358 HydrophobicContact CD2-CE1 3.33Å; L341-F358 HydrophobicContact CD2-CE2 3.65Å; L341-F358 HydrophobicContact CD2-CG 3.81Å; L341-F358 HydrophobicContact CD2-CZ 3.41Å; L341-F358 VanDerWaalsContact CD2-CZ 3.41Å; L341-F358 WeakPolarHBondContact CD2-O 3.31Å; L341-F358 HydrophobicContact CG-CD1 4.45Å; L341-F358 HydrophobicContact CG-CD2 4.23Å; L341-F358 HydrophobicContact CG-CE1 3.85Å; L341-F358 HydrophobicContact CG-CE2 3.59Å; L341-F358 HydrophobicContact CG-CZ 3.39Å; L341-F361 HydrophobicContact CB-CD1 4.35Å; L341-F361 HydrophobicContact CD1-CD1 4.03Å; L341-F361 HydrophobicContact CD1-CE1 4.38Å; L341-F361 HydrophobicContact CD1-CG 4.26Å; L341-F361 HydrophobicContact CD2-CB 4.34Å; L341-F361 HydrophobicContact CD2-CD1 4.15Å; L341-F361 HydrophobicContact CD2-CG 4.48Å; L341-F361 HydrophobicContact CG-CD1 4.43Å; L341-V362 HydrophobicContact CB-CG2 4.48Å; L341-V362 HydrophobicContact CD2-CG2 3.51Å
342	Y	98.9	Very high	98.4	Very high	10 Å²	10	27.1 Å²	27.1	4%	0.039	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-51.8	178.1	-175.1	-84.1	0	0	0	111.2	W214 V219 G222 E223 I226 Q338 V339 D340 L344 G345 Q346	W214-Y342 HydrophobicContact CB-CD2 4.38Å; W214-Y342 HydrophobicContact CB-CE2 4.37Å; W214-Y342 AromaticContact CD1-CD2 3.66Å; W214-Y342 AromaticContact CD1-CE2 3.87Å; W214-Y342 AromaticContact CD2-CD2 3.92Å; W214-Y342 HydrophobicContact CD2-CD2 3.92Å; W214-Y342 AromaticContact CE2-CD2 3.93Å; W214-Y342 AromaticContact CG-CD2 3.75Å; W214-Y342 HydrophobicContact CG-CD2 3.75Å; W214-Y342 HydrophobicContact CG-CE2 4.06Å; W214-Y342 AromaticContact NE1-CD2 3.79Å; V219-Y342 HydrophobicContact CB-CE2 4.32Å; V219-Y342 HydrophobicContact CG2-CE2 3.97Å; G222-Y342 VanDerWaalsContact CA-CD1 3.45Å; E223-Y342 HydrophobicContact CG-CE1 4.25Å; E223-Y342 WeakPolarHBondContact CG-OH 3.41Å; E223-Y342 VanDerWaalsContact OE1-CE1 3.31Å; E223-Y342 WeakPolarHBondContact OE1-CE1 3.33Å; E223-Y342 PolarHBondContact OE1-OH 2.86Å; I226-Y342 HydrophobicContact CD1-CD1 4.48Å; I226-Y342 HydrophobicContact CD1-CE1 4.19Å; Q338-Y342 PolarHBondContact O-N 2.85Å; V339-Y342 PolarHBondContact O-N 2.88Å; D340-Y342 VanDerWaalsContact C-N 3.3Å; D340-Y342 PolarHBondContact O-N 3.26Å; Y342-L344 VanDerWaalsContact C-N 3.32Å; Y342-L344 PolarHBondContact O-N 2.91Å; Y342-G345 WeakPolarHBondContact O-CA 3.35Å; Y342-G345 PolarHBondContact O-N 2.02Å; Y342-G345 VanDerWaalsContact O-N 3.09Å; Y342-Q346 HydrophobicContact CD1-CG 4.06Å; Y342-Q346 HydrophobicContact CE1-CG 3.6Å; Y342-Q346 WeakPolarHBondContact O-CG 3.46Å; Y342-Q346 PolarHBondContact O-N 2.95Å
343	I	98.9	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-39	-177.8	-63.6	167.3	0	0	0	111.2	Q225 I226 L230 Y234 Y307 L332 V339 D340 Q346 A347	Q225-I343 HydrophobicContact CB-CD1 3.84Å; I226-I343 HydrophobicContact CD1-CG1 4.46Å; I226-I343 HydrophobicContact CG1-CB 4.49Å; I226-I343 HydrophobicContact CG1-CG1 4.06Å; I226-I343 HydrophobicContact CG1-CG2 4.1Å; L230-I343 HydrophobicContact CD1-CG2 3.82Å; Y234-I343 HydrophobicContact CE2-CG2 4.24Å; Y234-I343 PolarHBondContact OH-O 2.78Å; Y307-I343 HydrophobicContact CD1-CB 4.23Å; Y307-I343 HydrophobicContact CD1-CG2 3.55Å; Y307-I343 HydrophobicContact CD2-CG2 3.73Å; Y307-I343 HydrophobicContact CE1-CB 3.94Å; Y307-I343 HydrophobicContact CE1-CD1 4.37Å; Y307-I343 HydrophobicContact CE1-CG2 3.71Å; Y307-I343 HydrophobicContact CE2-CB 4.49Å; Y307-I343 HydrophobicContact CE2-CD1 3.84Å; Y307-I343 HydrophobicContact CE2-CG2 3.85Å; Y307-I343 HydrophobicContact CG-CG2 3.56Å; Y307-I343 WeakPolarHBondContact OH-CD1 3.35Å; L332-I343 HydrophobicContact CD1-CD1 4.03Å; V339-I343 HydrophobicContact CG1-CD1 3.86Å; V339-I343 VanDerWaalsContact O-CG1 3.31Å; V339-I343 WeakPolarHBondContact O-CG1 3.33Å; V339-I343 PolarHBondContact O-N 3.42Å; D340-I343 PolarHBondContact O-N 3.33Å; I343-Q346 PolarHBondContact O-N 3.27Å; I343-A347 PolarHBondContact O-N 3.19Å
344	L	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.5	-39.9	173.9	-66.7	172.6	0	0	0	111.9	H238 Y307 A309 D340 L341 Y342 Q346 A347 F350 F358 V362 R366	H238-L344 HydrophobicContact CB-CD1 4.04Å; Y307-L344 HydrophobicContact CD1-CD2 4.04Å; A309-L344 HydrophobicContact CB-CD1 3.68Å; A309-L344 HydrophobicContact CB-CD2 4.13Å; A309-L344 HydrophobicContact CB-CG 4.06Å; D340-L344 WeakPolarHBondContact O-CB 3.47Å; D340-L344 WeakPolarHBondContact O-CG 3.04Å; D340-L344 PolarHBondContact O-N 2.85Å; L341-L344 PolarHBondContact O-N 3.35Å; Y342-L344 VanDerWaalsContact C-N 3.32Å; Y342-L344 PolarHBondContact O-N 2.91Å; L344-Q346 PolarHBondContact O-N 2.83Å; L344-A347 WeakPolarHBondContact O-CB 3.35Å; L344-A347 PolarHBondContact O-N 3.32Å; L344-F350 HydrophobicContact CB-CD2 4.25Å; L344-F350 HydrophobicContact CB-CE2 4.19Å; L344-F350 HydrophobicContact CD1-CE2 3.97Å; L344-F350 HydrophobicContact CD2-CD2 4.02Å; L344-F350 HydrophobicContact CD2-CE2 3.91Å; L344-F350 HydrophobicContact CG-CE2 4.25Å; L344-F358 HydrophobicContact CD1-CE1 4.49Å; L344-V362 HydrophobicContact CB-CG1 3.82Å; L344-V362 HydrophobicContact CB-CG2 3.94Å; L344-V362 HydrophobicContact CD1-CG2 4.06Å; L344-R366 PolarHBondContact O-NH1 3.2Å
345	G	98.8	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.7	-41	174.3	0	0	0	0	0	112	L341 Y342 A347 R366 R371	L341-G345 PolarHBondContact O-N 2.91Å; Y342-G345 WeakPolarHBondContact O-CA 3.35Å; Y342-G345 PolarHBondContact O-N 2.02Å; Y342-G345 VanDerWaalsContact O-N 3.09Å; G345-A347 PolarHBondContact O-N 3.41Å; G345-R366 PolarHBondContact O-NH1 3.47Å; G345-R371 WeakPolarHBondContact O-CD 3.25Å; G345-R371 PolarHBondContact O-NH1 2.89Å
346	Q	98.9	Very high	98.7	Very high	24 Å²	24	10 Å²	10	11%	0.112	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.4	-179.6	-58	-45.5	-49.2	0	0	115.9	I226 R232 Y234 Y342 I343 L344 R371	I226-Q346 HydrophobicContact CD1-CB 3.63Å; I226-Q346 HydrophobicContact CD1-CG 3.85Å; R232-Q346 PolarHBondContact NH1-O 3.13Å; R232-Q346 PolarHBondContact NH2-O 2.6Å; Y234-Q346 WeakPolarHBondContact OH-CB 3.21Å; Y234-Q346 PolarHBondContact OH-O 2.64Å; Y342-Q346 HydrophobicContact CD1-CG 4.06Å; Y342-Q346 HydrophobicContact CE1-CG 3.6Å; Y342-Q346 WeakPolarHBondContact O-CG 3.46Å; Y342-Q346 PolarHBondContact O-N 2.95Å; I343-Q346 PolarHBondContact O-N 3.27Å; L344-Q346 PolarHBondContact O-N 2.83Å; Q346-R371 VanDerWaalsContact OE1-CZ 3.31Å
347	A	98.9	Very high	98.8	Very high	3 Å²	3	8 Å²	8	3%	0.025	5%	0.048	C	C	.	.			trans	-65.2	150.5	-176	0	0	0	0	0	113.6	Y234 I343 L344 G345 H349 R366	Y234-A347 HydrophobicContact CD2-CB 3.95Å; Y234-A347 VanDerWaalsContact CE2-CA 3.44Å; Y234-A347 HydrophobicContact CE2-CB 3.43Å; Y234-A347 VanDerWaalsContact CE2-CB 3.43Å; Y234-A347 WeakPolarHBondContact OH-CA 3.44Å; Y234-A347 PolarHBondContact OH-N 2.92Å; Y234-A347 VanDerWaalsContact OH-N 3.16Å; I343-A347 PolarHBondContact O-N 3.19Å; L344-A347 WeakPolarHBondContact O-CB 3.35Å; L344-A347 PolarHBondContact O-N 3.32Å; G345-A347 PolarHBondContact O-N 3.41Å; A347-H349 VanDerWaalsContact C-N 3.31Å; A347-H349 WeakPolarHBondContact CB-O 3.27Å; A347-R366 VanDerWaalsContact O-CZ 3.27Å; A347-R366 PolarHBondContact O-NH1 2.9Å; A347-R366 PolarHBondContact O-NH2 3.18Å
348	D	98.8	Very high	98.8	Very high	48 Å²	48	7.7 Å²	7.7	26%	0.257	4%	0.04	S	C	.	.	S	Bend	trans	-70.2	-33.8	173.6	-59	-84.4	0	0	0	110.6	R232 P233 Y234 L301 P372	R232-D348 IonicContact CZ-OD2 2.86Å; R232-D348 VanDerWaalsContact NH1-CG 3.29Å; R232-D348 IonicContact NH1-OD1 3.4Å; R232-D348 PolarHBondContact NH1-OD1 2.9Å; R232-D348 IonicContact NH1-OD2 3.14Å; R232-D348 PolarHBondContact NH1-OD2 3.37Å; P233-D348 VanDerWaalsContact CA-OD2 3.26Å; P233-D348 WeakPolarHBondContact CA-OD2 3.25Å; P233-D348 HydrophobicContact CB-CB 3.96Å; Y234-D348 PolarHBondContact N-OD2 3.41Å; Y234-D348 PolarHBondContact O-N 3.27Å; L301-D348 HydrophobicContact CD2-CB 3.59Å; D348-P372 WeakPolarHBondContact O-CG 3.42Å
349	H	98.8	Very high	98.8	Very high	3 Å²	3	7.5 Å²	7.5	1%	0.014	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.8	164.7	-169.5	84	0	0	0	110.9	Y234 V235 G236 W297 L301 A347 S374	Y234-H349 PolarHBondContact O-N 3.03Å; V235-H349 CarbonylContact C-O 3.56Å; V235-H349 WeakPolarHBondContact CA-O 3.29Å; V235-H349 HydrophobicContact CG2-CB 4.49Å; G236-H349 PolarHBondContact N-O 3.11Å; W297-H349 AromaticContact CD1-CD2 3.92Å; W297-H349 AromaticContact CD1-NE2 3.7Å; W297-H349 AromaticContact CD2-CD2 3.5Å; W297-H349 AromaticContact CD2-CE1 3.41Å; W297-H349 VanDerWaalsContact CD2-CE1 3.41Å; W297-H349 AromaticContact CD2-CG 3.94Å; W297-H349 AromaticContact CD2-ND1 3.92Å; W297-H349 AromaticContact CD2-NE2 3.15Å; W297-H349 AromaticContact CE2-CE1 3.5Å; W297-H349 VanDerWaalsContact CE2-CE1 3.5Å; W297-H349 AromaticContact CE2-NE2 3.19Å; W297-H349 AromaticContact CE3-CD2 3.88Å; W297-H349 AromaticContact CE3-CE1 3.35Å; W297-H349 AromaticContact CE3-CG 3.83Å; W297-H349 AromaticContact CE3-ND1 3.53Å; W297-H349 AromaticContact CE3-NE2 3.6Å; W297-H349 AromaticContact CG-CD2 3.45Å; W297-H349 VanDerWaalsContact CG-CD2 3.45Å; W297-H349 AromaticContact CG-NE2 3.49Å; W297-H349 AromaticContact CH2-CE1 3.46Å; W297-H349 VanDerWaalsContact CH2-CE1 3.46Å; W297-H349 WeakPolarHBondContact CH2-CE1 3.46Å; W297-H349 AromaticContact CZ2-CE1 3.53Å; W297-H349 AromaticContact CZ2-NE2 3.67Å; W297-H349 AromaticContact CZ3-CE1 3.38Å; W297-H349 WeakPolarHBondContact CZ3-CE1 3.34Å; W297-H349 AromaticContact CZ3-ND1 3.69Å; W297-H349 AromaticContact NE1-NE2 3.53Å; L301-H349 HydrophobicContact CD1-CB 3.81Å; L301-H349 HydrophobicContact CD2-CB 3.8Å; A347-H349 VanDerWaalsContact C-N 3.31Å; A347-H349 WeakPolarHBondContact CB-O 3.27Å; H349-S374 PolarHBondContact NE2-OG 3.18Å
350	F	98.9	Very high	98.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.6	177.9	172.8	-126.4	0	0	0	111.6	G236 H238 L344 T359 V362 P372 S373 S374	G236-F350 CarbonylContact O-C 3.54Å; G236-F350 VanDerWaalsContact O-CA 3.32Å; G236-F350 WeakPolarHBondContact O-CA 3.27Å; G236-F350 WeakPolarHBondContact O-CD2 3.42Å; H238-F350 HydrophobicContact CB-CE2 3.88Å; H238-F350 HydrophobicContact CB-CZ 4.09Å; L344-F350 HydrophobicContact CB-CD2 4.25Å; L344-F350 HydrophobicContact CB-CE2 4.19Å; L344-F350 HydrophobicContact CD1-CE2 3.97Å; L344-F350 HydrophobicContact CD2-CD2 4.02Å; L344-F350 HydrophobicContact CD2-CE2 3.91Å; L344-F350 HydrophobicContact CG-CE2 4.25Å; F350-T359 HydrophobicContact CE1-CG2 3.73Å; F350-T359 HydrophobicContact CZ-CG2 3.79Å; F350-V362 HydrophobicContact CD1-CB 4.35Å; F350-V362 HydrophobicContact CD1-CG1 3.69Å; F350-V362 HydrophobicContact CD2-CG1 4.22Å; F350-V362 HydrophobicContact CE1-CB 3.78Å; F350-V362 HydrophobicContact CE1-CG1 3.61Å; F350-V362 HydrophobicContact CE2-CG1 4.17Å; F350-V362 HydrophobicContact CG-CG1 3.99Å; F350-V362 HydrophobicContact CZ-CB 3.93Å; F350-V362 HydrophobicContact CZ-CG1 3.86Å; F350-V362 HydrophobicContact CZ-CG2 4.4Å; F350-P372 PolarHBondContact N-O 2.62Å; F350-S373 CarbonylContact O-C 3.45Å; F350-S373 WeakPolarHBondContact O-CA 3.43Å; F350-S374 PolarHBondContact O-N 3.31Å
351	I	98.9	Very high	98.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.8	170.3	-44.3	175.9	0	0	0	109.1	V235 G236 I237 H238 A293 V294 W297 S374 F376	V235-I351 HydrophobicContact CG1-CD1 3.87Å; V235-I351 HydrophobicContact CG1-CG1 3.97Å; G236-I351 PolarHBondContact O-N 3.34Å; I237-I351 WeakPolarHBondContact CA-O 3.38Å; I237-I351 HydrophobicContact CB-CB 4.43Å; I237-I351 HydrophobicContact CG2-CB 3.87Å; I237-I351 HydrophobicContact CG2-CD1 3.85Å; I237-I351 HydrophobicContact CG2-CG1 4.02Å; H238-I351 PolarHBondContact N-O 2.8Å; A293-I351 HydrophobicContact CB-CD1 4.15Å; A293-I351 HydrophobicContact CB-CG2 4.36Å; V294-I351 HydrophobicContact CG2-CD1 4.34Å; W297-I351 HydrophobicContact CB-CD1 4.24Å; W297-I351 HydrophobicContact CG-CD1 4.17Å; W297-I351 HydrophobicContact CG-CG1 4.41Å; I351-S374 WeakPolarHBondContact CA-O 3.35Å; I351-F376 HydrophobicContact CB-CE1 4.5Å; I351-F376 HydrophobicContact CB-CE2 4.49Å; I351-F376 HydrophobicContact CB-CZ 4.23Å; I351-F376 HydrophobicContact CG2-CD1 3.81Å; I351-F376 HydrophobicContact CG2-CD2 4.02Å; I351-F376 HydrophobicContact CG2-CE1 3.67Å; I351-F376 HydrophobicContact CG2-CE2 3.89Å; I351-F376 HydrophobicContact CG2-CG 3.99Å; I351-F376 HydrophobicContact CG2-CZ 3.72Å
352	G	98.8	Very high	98.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	170.6	-177.1	0	0	0	0	0	114.9	T359 S374 F375 F376	G352-T359 VanDerWaalsContact CA-CG2 3.49Å; G352-S374 PolarHBondContact N-O 3.21Å; G352-F375 VanDerWaalsContact O-CA 3.22Å; G352-F375 WeakPolarHBondContact O-CA 3.36Å; G352-F376 WeakPolarHBondContact O-CD2 3.37Å; G352-F376 PolarHBondContact O-N 2.96Å
353	N	98.8	Very high	98.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.			trans	-95.8	123.3	164.1	-177.8	-69.5	0	0	0	110.3	R240 C283 V355 S356 T359	R240-N353 HydrophobicContact CB-CB 4.15Å; C283-N353 PolarHBondContact O-ND2 3.43Å; N353-V355 VanDerWaalsContact C-N 3.26Å; N353-V355 PolarHBondContact O-N 3.21Å; N353-V355 PolarHBondContact OD1-N 2.91Å; N353-S356 PolarHBondContact O-N 3.46Å; N353-S356 PolarHBondContact OD1-N 2.96Å; N353-T359 PolarHBondContact N-OG1 2.88Å; N353-T359 WeakPolarHBondContact O-CB 3.31Å; N353-T359 WeakPolarHBondContact O-CG2 3.43Å; N353-T359 PolarHBondContact O-OG1 3.29Å
354	C	98.2	Very high	98.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.9	-174.8	-80.1	0	0	0	0	114.5	A263 S264 Q266 C267 L278 M282 F375	A263-C354 CarbonylContact C-O 3.49Å; A263-C354 VanDerWaalsContact C-O 3.23Å; A263-C354 VanDerWaalsContact O-O 3.11Å; S264-C354 VanDerWaalsContact CA-O 3.27Å; S264-C354 WeakPolarHBondContact CA-O 3.24Å; S264-C354 PolarHBondContact N-O 3.43Å; Q266-C354 PolarHBondContact NE2-O 3.4Å; C267-C354 HydrophobicContact CB-CB 3.77Å; C267-C354 WeakPolarHBondContact CB-SG 3.01Å; C267-C354 WeakPolarHBondContact SG-CA 3.48Å; C267-C354 WeakPolarHBondContact SG-CB 3.5Å; C267-C354 CovalentContact SG-SG 2.03Å; C267-C354 PolarHBondContact SG-SG 3.46Å; L278-C354 HydrophobicContact CD1-CB 4.47Å; M282-C354 HydrophobicContact CB-CB 4.22Å; M282-C354 HydrophobicContact CE-CB 4.19Å; M282-C354 VanDerWaalsContact CE-SG 3.57Å; C354-F375 WeakPolarHBondContact SG-CB 3.5Å; C354-F375 VanDerWaalsContact SG-CG 3.57Å
355	V	98.3	Very high	98.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-17.3	-169.8	-179.4	0	0	0	0	111.4	W245 F261 M262 A263 L278 C283 N353	W245-V355 HydrophobicContact CH2-CB 4.32Å; W245-V355 HydrophobicContact CH2-CG1 3.83Å; W245-V355 HydrophobicContact CZ2-CB 3.7Å; W245-V355 HydrophobicContact CZ2-CG1 3.6Å; F261-V355 HydrophobicContact CD1-CG1 3.48Å; F261-V355 VanDerWaalsContact CD1-CG1 3.48Å; F261-V355 HydrophobicContact CE1-CG1 3.81Å; M262-V355 HydrophobicContact CB-CG1 3.8Å; M262-V355 VanDerWaalsContact CB-O 3.29Å; M262-V355 WeakPolarHBondContact CB-O 3Å; M262-V355 HydrophobicContact CG-CG1 4.12Å; M262-V355 HydrophobicContact SD-CG1 4.04Å; A263-V355 WeakPolarHBondContact CB-O 3.23Å; A263-V355 PolarHBondContact N-O 3.31Å; L278-V355 HydrophobicContact CD1-CG2 3.76Å; L278-V355 HydrophobicContact CD2-CG2 3.83Å; L278-V355 HydrophobicContact CG-CG2 4.3Å; C283-V355 HydrophobicContact CB-CG2 3.87Å; N353-V355 VanDerWaalsContact C-N 3.26Å; N353-V355 PolarHBondContact O-N 3.21Å; N353-V355 PolarHBondContact OD1-N 2.91Å
356	S	98.8	Very high	98.8	Very high	4 Å²	4	7.9 Å²	7.9	3%	0.028	4%	0.041	C	C	.	.			trans	-84.6	130	-176.2	-176.9	0	0	0	0	113.4	H238 Q266 N353 F358 T359 A360	H238-S356 PolarHBondContact CE1-OG 3.07Å; Q266-S356 PolarHBondContact NE2-O 3.47Å; Q266-S356 VanDerWaalsContact NE2-O 3.17Å; N353-S356 PolarHBondContact O-N 3.46Å; N353-S356 PolarHBondContact OD1-N 2.96Å; S356-F358 VanDerWaalsContact C-N 3.27Å; S356-F358 PolarHBondContact O-N 3.09Å; S356-F358 WeakPolarHBondContact OG-CB 3.33Å; S356-F358 PolarHBondContact OG-N 3.07Å; S356-T359 VanDerWaalsContact O-CB 3.31Å; S356-T359 WeakPolarHBondContact O-CB 3.29Å; S356-T359 PolarHBondContact O-N 3.1Å; S356-A360 PolarHBondContact O-N 2.91Å; S356-A360 VanDerWaalsContact O-N 3.1Å
357	S	98.8	Very high	98.7	Very high	12 Å²	12	9.4 Å²	9.4	8%	0.084	5%	0.05	C	C	.	.	H	α-helix	trans	-72.3	-19.7	170.8	54.9	0	0	0	0	113.2	G45 N46 A360 F361	G45-S357 VanDerWaalsContact C-OG 3.25Å; N46-S357 PolarHBondContact N-OG 3.46Å; S357-A360 WeakPolarHBondContact O-CB 3.33Å; S357-A360 PolarHBondContact O-N 3.25Å; S357-F361 PolarHBondContact O-N 2.86Å; S357-F361 VanDerWaalsContact O-N 3.09Å
358	F	98.9	Very high	98.6	Very high	32 Å²	32	13 Å²	13	14%	0.14	7%	0.068	C	C	.	.	H	α-helix	trans	-66.8	-42	170.3	-168.3	-91.1	0	0	0	110.8	H238 A337 D340 L341 L344 S356 A360	H238-F358 AromaticContact CD2-CD1 3.88Å; H238-F358 AromaticContact CE1-CD1 3.66Å; H238-F358 AromaticContact NE2-CD1 3.53Å; A337-F358 HydrophobicContact CB-CE2 3.95Å; A337-F358 HydrophobicContact CB-CZ 4.23Å; A337-F358 WeakPolarHBondContact O-CZ 3.11Å; D340-F358 HydrophobicContact CB-CE1 4.44Å; D340-F358 HydrophobicContact CB-CZ 4.21Å; L341-F358 HydrophobicContact CD1-CD2 4.27Å; L341-F358 HydrophobicContact CD1-CE2 3.8Å; L341-F358 HydrophobicContact CD1-CZ 4.14Å; L341-F358 HydrophobicContact CD2-CD1 3.54Å; L341-F358 HydrophobicContact CD2-CD2 3.85Å; L341-F358 HydrophobicContact CD2-CE1 3.33Å; L341-F358 HydrophobicContact CD2-CE2 3.65Å; L341-F358 HydrophobicContact CD2-CG 3.81Å; L341-F358 HydrophobicContact CD2-CZ 3.41Å; L341-F358 VanDerWaalsContact CD2-CZ 3.41Å; L341-F358 WeakPolarHBondContact CD2-O 3.31Å; L341-F358 HydrophobicContact CG-CD1 4.45Å; L341-F358 HydrophobicContact CG-CD2 4.23Å; L341-F358 HydrophobicContact CG-CE1 3.85Å; L341-F358 HydrophobicContact CG-CE2 3.59Å; L341-F358 HydrophobicContact CG-CZ 3.39Å; L344-F358 HydrophobicContact CD1-CE1 4.49Å; S356-F358 VanDerWaalsContact C-N 3.27Å; S356-F358 PolarHBondContact O-N 3.09Å; S356-F358 WeakPolarHBondContact OG-CB 3.33Å; S356-F358 PolarHBondContact OG-N 3.07Å; F358-A360 VanDerWaalsContact C-N 3.33Å
359	T	98.9	Very high	98.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.7	-44.7	167.4	-58.2	0	0	0	0	111.2	H238 F350 G352 N353 S356 F361 V362 K363 F375	H238-T359 PolarHBondContact ND1-OG1 3.2Å; F350-T359 HydrophobicContact CE1-CG2 3.73Å; F350-T359 HydrophobicContact CZ-CG2 3.79Å; G352-T359 VanDerWaalsContact CA-CG2 3.49Å; N353-T359 PolarHBondContact N-OG1 2.88Å; N353-T359 WeakPolarHBondContact O-CB 3.31Å; N353-T359 WeakPolarHBondContact O-CG2 3.43Å; N353-T359 PolarHBondContact O-OG1 3.29Å; S356-T359 VanDerWaalsContact O-CB 3.31Å; S356-T359 WeakPolarHBondContact O-CB 3.29Å; S356-T359 PolarHBondContact O-N 3.1Å; T359-F361 PolarHBondContact O-N 3.47Å; T359-V362 PolarHBondContact O-N 2.8Å; T359-K363 PolarHBondContact O-N 2.03Å; T359-F375 HydrophobicContact CG2-CD1 4.05Å; T359-F375 HydrophobicContact CG2-CE1 3.64Å
360	A	98.8	Very high	98.4	Very high	5 Å²	5	18.5 Å²	18.5	4%	0.041	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-35.2	-174.1	0	0	0	0	0	112.3	A263 S356 S357 F358 K363 R364	A263-A360 HydrophobicContact CB-CB 4.18Å; S356-A360 PolarHBondContact O-N 2.91Å; S356-A360 VanDerWaalsContact O-N 3.1Å; S357-A360 WeakPolarHBondContact O-CB 3.33Å; S357-A360 PolarHBondContact O-N 3.25Å; F358-A360 VanDerWaalsContact C-N 3.33Å; A360-K363 PolarHBondContact O-N 2.87Å; A360-R364 WeakPolarHBondContact O-CG 3.48Å; A360-R364 PolarHBondContact O-N 2.84Å
361	F	98.9	Very high	98.4	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-55.4	-54.9	171.2	-174	-78	0	0	0	111.5	F44 A48 F91 M212 W214 L341 S357 T359 K363 R364 E365	F44-F361 AromaticContact CE1-CD2 3.71Å; F44-F361 HydrophobicContact CE1-CD2 3.71Å; F44-F361 AromaticContact CE1-CE2 3.88Å; F44-F361 HydrophobicContact CE1-CE2 3.88Å; F44-F361 HydrophobicContact CE1-CG 4.18Å; F44-F361 HydrophobicContact CZ-CD2 4.07Å; F44-F361 AromaticContact CZ-CE2 3.77Å; F44-F361 HydrophobicContact CZ-CE2 3.77Å; F44-F361 HydrophobicContact CZ-CZ 4.37Å; A48-F361 HydrophobicContact CB-CD2 3.87Å; A48-F361 HydrophobicContact CB-CE2 4.28Å; F91-F361 HydrophobicContact CE1-CE2 4.4Å; F91-F361 AromaticContact CE1-CZ 3.74Å; F91-F361 HydrophobicContact CE1-CZ 3.74Å; F91-F361 AromaticContact CZ-CE2 3.92Å; F91-F361 HydrophobicContact CZ-CE2 3.92Å; F91-F361 AromaticContact CZ-CZ 3.59Å; F91-F361 HydrophobicContact CZ-CZ 3.59Å; M212-F361 HydrophobicContact CE-CE2 3.8Å; M212-F361 HydrophobicContact CE-CZ 4.46Å; M212-F361 HydrophobicContact SD-CE2 4.07Å; W214-F361 AromaticContact CH2-CE1 3.85Å; W214-F361 HydrophobicContact CH2-CE1 3.85Å; W214-F361 HydrophobicContact CH2-CZ 4.01Å; W214-F361 AromaticContact CZ2-CE1 3.49Å; W214-F361 HydrophobicContact CZ2-CE1 3.49Å; W214-F361 VanDerWaalsContact CZ2-CE1 3.49Å; W214-F361 AromaticContact CZ2-CZ 3.96Å; W214-F361 HydrophobicContact CZ2-CZ 3.96Å; L341-F361 HydrophobicContact CB-CD1 4.35Å; L341-F361 HydrophobicContact CD1-CD1 4.03Å; L341-F361 HydrophobicContact CD1-CE1 4.38Å; L341-F361 HydrophobicContact CD1-CG 4.26Å; L341-F361 HydrophobicContact CD2-CB 4.34Å; L341-F361 HydrophobicContact CD2-CD1 4.15Å; L341-F361 HydrophobicContact CD2-CG 4.48Å; L341-F361 HydrophobicContact CG-CD1 4.43Å; S357-F361 PolarHBondContact O-N 2.86Å; S357-F361 VanDerWaalsContact O-N 3.09Å; T359-F361 PolarHBondContact O-N 3.47Å; F361-K363 PolarHBondContact O-N 2.78Å; F361-R364 PolarHBondContact O-N 2.9Å; F361-E365 PolarHBondContact O-N 3.18Å; F361-E365 VanDerWaalsContact O-N 3.14Å
362	V	98.9	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-45	179.4	-179.4	0	0	0	0	110.8	L341 L344 F350 T359 R364 E365 R366	L341-V362 HydrophobicContact CB-CG2 4.48Å; L341-V362 HydrophobicContact CD2-CG2 3.51Å; L344-V362 HydrophobicContact CB-CG1 3.82Å; L344-V362 HydrophobicContact CB-CG2 3.94Å; L344-V362 HydrophobicContact CD1-CG2 4.06Å; F350-V362 HydrophobicContact CD1-CB 4.35Å; F350-V362 HydrophobicContact CD1-CG1 3.69Å; F350-V362 HydrophobicContact CD2-CG1 4.22Å; F350-V362 HydrophobicContact CE1-CB 3.78Å; F350-V362 HydrophobicContact CE1-CG1 3.61Å; F350-V362 HydrophobicContact CE2-CG1 4.17Å; F350-V362 HydrophobicContact CG-CG1 3.99Å; F350-V362 HydrophobicContact CZ-CB 3.93Å; F350-V362 HydrophobicContact CZ-CG1 3.86Å; F350-V362 HydrophobicContact CZ-CG2 4.4Å; T359-V362 PolarHBondContact O-N 2.8Å; V362-R364 VanDerWaalsContact C-N 3.33Å; V362-R364 PolarHBondContact O-N 3.35Å; V362-E365 PolarHBondContact O-N 3.26Å; V362-R366 HydrophobicContact CG1-CG 4.13Å; V362-R366 WeakPolarHBondContact O-CB 3.04Å; V362-R366 VanDerWaalsContact O-CG 3.27Å; V362-R366 WeakPolarHBondContact O-CG 3.37Å; V362-R366 PolarHBondContact O-N 3.15Å
363	K	98.8	Very high	98.3	Very high	17 Å²	17	26 Å²	26	7%	0.074	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-44.2	-179.8	-178.2	63.6	165.1	71.9	0	111.6	T359 A360 F361 R366 D367 F375	T359-K363 PolarHBondContact O-N 2.03Å; A360-K363 PolarHBondContact O-N 2.87Å; F361-K363 PolarHBondContact O-N 2.78Å; K363-R366 PolarHBondContact O-N 3.42Å; K363-D367 IonicContact NZ-OD1 2.88Å; K363-D367 PolarHBondContact NZ-OD1 2.85Å; K363-D367 IonicContact NZ-OD2 2.72Å; K363-D367 PolarHBondContact NZ-OD2 3.08Å; K363-D367 WeakPolarHBondContact O-CB 3.5Å; K363-D367 PolarHBondContact O-N 3.26Å; K363-F375 HydrophobicContact CD-CE2 4.39Å; K363-F375 HydrophobicContact CD-CZ 3.84Å; K363-F375 HydrophobicContact CG-CZ 3.95Å
364	R	98.7	Very high	98.2	Very high	6 Å²	6	26 Å²	26	2%	0.023	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-42.8	177.2	-72.2	-174.5	-61.6	-97.8	8.1	112.3	D49 R206 Q209 A360 F361 V362 R366 L368	D49-R364 IonicContact OD1-CZ 2.8Å; D49-R364 IonicContact OD1-NH1 2.74Å; D49-R364 PolarHBondContact OD1-NH1 3.02Å; D49-R364 IonicContact OD1-NH2 3.66Å; D49-R364 PolarHBondContact OD1-NH2 3.39Å; D49-R364 IonicContact OD2-NH1 3.94Å; R206-R364 HydrophobicContact CB-CG 4.15Å; R206-R364 HydrophobicContact CG-CG 4.42Å; Q209-R364 HydrophobicContact CB-CB 3.84Å; Q209-R364 HydrophobicContact CG-CB 3.7Å; A360-R364 WeakPolarHBondContact O-CG 3.48Å; A360-R364 PolarHBondContact O-N 2.84Å; F361-R364 PolarHBondContact O-N 2.9Å; V362-R364 VanDerWaalsContact C-N 3.33Å; V362-R364 PolarHBondContact O-N 3.35Å; R364-R366 VanDerWaalsContact C-N 3.34Å; R364-L368 WeakPolarHBondContact O-CG 3.49Å; R364-L368 PolarHBondContact O-N 3.2Å
365	E	98.8	Very high	98.3	Very high	11 Å²	11	26 Å²	26	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-46.7	176.4	-177.8	-176.7	128.3	0	0	111	W214 F361 V362 L368	W214-E365 PolarHBondContact NE1-OE2 3.18Å; F361-E365 PolarHBondContact O-N 3.18Å; F361-E365 VanDerWaalsContact O-N 3.14Å; V362-E365 PolarHBondContact O-N 3.26Å; E365-L368 PolarHBondContact O-N 3.03Å
366	R	98.5	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-40.9	-178.4	-70.1	-179.1	70.7	77.6	-3.3	112.8	L344 G345 A347 V362 K363 R364 L368 Q369 G370 R371 P372 S373	L344-R366 PolarHBondContact O-NH1 3.2Å; G345-R366 PolarHBondContact O-NH1 3.47Å; A347-R366 VanDerWaalsContact O-CZ 3.27Å; A347-R366 PolarHBondContact O-NH1 2.9Å; A347-R366 PolarHBondContact O-NH2 3.18Å; V362-R366 HydrophobicContact CG1-CG 4.13Å; V362-R366 WeakPolarHBondContact O-CB 3.04Å; V362-R366 VanDerWaalsContact O-CG 3.27Å; V362-R366 WeakPolarHBondContact O-CG 3.37Å; V362-R366 PolarHBondContact O-N 3.15Å; K363-R366 PolarHBondContact O-N 3.42Å; R364-R366 VanDerWaalsContact C-N 3.34Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 2.9Å; R366-Q369 CarbonylContact O-C 3.57Å; R366-Q369 PolarHBondContact O-N 2.93Å; R366-G370 PolarHBondContact O-N 3.39Å; R366-G370 VanDerWaalsContact O-N 3.09Å; R366-R371 HydrophobicContact CB-CB 3.91Å; R366-R371 HydrophobicContact CG-CB 4.15Å; R366-R371 PolarHBondContact O-N 2.79Å; R366-P372 PolarHBondContact NE-O 3.29Å; R366-P372 PolarHBondContact NH2-O 3.36Å; R366-S373 WeakPolarHBondContact CD-OG 3.48Å; R366-S373 PolarHBondContact NE-OG 2.9Å
367	D	97.8	Very high	98.2	Very high	56 Å²	56	27.4 Å²	27.4	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-57.8	-43.8	177.6	-73	-12.4	0	0	0	111.4	R206 K363 Q369 G370	R206-D367 IonicContact CZ-OD2 3.39Å; R206-D367 IonicContact NH1-OD2 2.67Å; R206-D367 IonicContact NH2-OD2 3.01Å; R206-D367 PolarHBondContact NH2-OD2 3.3Å; K363-D367 IonicContact NZ-OD1 2.88Å; K363-D367 PolarHBondContact NZ-OD1 2.85Å; K363-D367 IonicContact NZ-OD2 2.72Å; K363-D367 PolarHBondContact NZ-OD2 3.08Å; K363-D367 WeakPolarHBondContact O-CB 3.5Å; K363-D367 PolarHBondContact O-N 3.26Å; D367-Q369 PolarHBondContact O-N 3.45Å; D367-G370 PolarHBondContact O-N 3.2Å
368	L	97.4	Very high	98.1	Very high	78 Å²	78	28.4 Å²	28.4	41%	0.408	17%	0.169	S	C	.	.	H	α-helix	trans	-64	-22.2	178.3	-72.4	166.1	0	0	0	113.9	P207 Q209 K210 R364 E365 R366	P207-L368 HydrophobicContact CB-CD2 4.49Å; Q209-L368 HydrophobicContact CB-CD1 3.78Å; Q209-L368 HydrophobicContact CG-CD1 4.25Å; K210-L368 HydrophobicContact CB-CD1 3.71Å; K210-L368 HydrophobicContact CB-CD2 4.22Å; R364-L368 WeakPolarHBondContact O-CG 3.49Å; R364-L368 PolarHBondContact O-N 3.2Å; E365-L368 PolarHBondContact O-N 3.03Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 2.9Å
369	Q	96.6	Very high	97.7	Very high	97 Å²	97	28.5 Å²	28.5	45%	0.453	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	5.6	-178.1	-63	173.2	2.1	0	0	112.3	R366 D367 R371	R366-Q369 CarbonylContact O-C 3.57Å; R366-Q369 PolarHBondContact O-N 2.93Å; D367-Q369 PolarHBondContact O-N 3.45Å; Q369-R371 HydrophobicContact CB-CG 4Å; Q369-R371 PolarHBondContact O-N 2.94Å
370	G	96.6	Very high	97.1	Very high	69 Å²	69	39.3 Å²	39.3	71%	0.711	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	22.3	-176.2	0	0	0	0	0	114	R366 D367	R366-G370 PolarHBondContact O-N 3.39Å; R366-G370 VanDerWaalsContact O-N 3.09Å; D367-G370 PolarHBondContact O-N 3.2Å
371	R	97.5	Very high	96.1	Very high	70 Å²	70	40.4 Å²	40.4	26%	0.264	22%	0.219	S	C	.	.			trans	-84.5	131.2	-177.7	-67.7	179.9	176.3	172.5	-1.4	111	G345 Q346 R366 Q369	G345-R371 WeakPolarHBondContact O-CD 3.25Å; G345-R371 PolarHBondContact O-NH1 2.89Å; Q346-R371 VanDerWaalsContact OE1-CZ 3.31Å; R366-R371 HydrophobicContact CB-CB 3.91Å; R366-R371 HydrophobicContact CG-CB 4.15Å; R366-R371 PolarHBondContact O-N 2.79Å; Q369-R371 HydrophobicContact CB-CG 4Å; Q369-R371 PolarHBondContact O-N 2.94Å
372	P	97.4	Very high	94.7	Very high	68 Å²	68	44.5 Å²	44.5	44%	0.442	25%	0.246	S	C	.	.			trans	-71.1	140.5	-171.3	29.9	-35.8	0	0	0	111.6	D348 F350 R366	D348-P372 WeakPolarHBondContact O-CG 3.42Å; F350-P372 PolarHBondContact N-O 2.62Å; R366-P372 PolarHBondContact NE-O 3.29Å; R366-P372 PolarHBondContact NH2-O 3.36Å
373	S	98.3	Very high	93.1	Very high	19 Å²	19	53.3 Å²	53.3	13%	0.133	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.8	-179.5	-52.3	0	0	0	0	110.5	F350 R366	F350-S373 CarbonylContact O-C 3.45Å; F350-S373 WeakPolarHBondContact O-CA 3.43Å; R366-S373 WeakPolarHBondContact CD-OG 3.48Å; R366-S373 PolarHBondContact NE-OG 2.9Å
374	S	98.6	Very high	91.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	-179.5	173.3	68.4	0	0	0	0	110.2	W297 H349 F350 I351 G352 D379	W297-S374 PolarHBondContact NE1-OG 2.95Å; H349-S374 PolarHBondContact NE2-OG 3.18Å; F350-S374 PolarHBondContact O-N 3.31Å; I351-S374 WeakPolarHBondContact CA-O 3.35Å; G352-S374 PolarHBondContact N-O 3.21Å; S374-D379 WeakPolarHBondContact CB-O 3.2Å
375	F	98.8	Very high	89	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.5	177	-55.2	-92.5	0	0	0	111.3	Q266 C267 G352 C354 T359 K363 G377 M378 P381	Q266-F375 HydrophobicContact CG-CE1 3.94Å; Q266-F375 HydrophobicContact CG-CZ 3.9Å; C267-F375 WeakPolarHBondContact SG-CD1 3.1Å; C267-F375 WeakPolarHBondContact SG-CD2 3.31Å; C267-F375 VanDerWaalsContact SG-CE2 3.51Å; C267-F375 WeakPolarHBondContact SG-CG 3.47Å; G352-F375 VanDerWaalsContact O-CA 3.22Å; G352-F375 WeakPolarHBondContact O-CA 3.36Å; C354-F375 WeakPolarHBondContact SG-CB 3.5Å; C354-F375 VanDerWaalsContact SG-CG 3.57Å; T359-F375 HydrophobicContact CG2-CD1 4.05Å; T359-F375 HydrophobicContact CG2-CE1 3.64Å; K363-F375 HydrophobicContact CD-CE2 4.39Å; K363-F375 HydrophobicContact CD-CZ 3.84Å; K363-F375 HydrophobicContact CG-CZ 3.95Å; F375-G377 PolarHBondContact O-N 2.88Å; F375-M378 HydrophobicContact CB-CB 4.45Å; F375-M378 PolarHBondContact N-O 3.13Å; F375-M378 CarbonylContact O-C 3.58Å; F375-M378 PolarHBondContact O-N 3.48Å; F375-M378 VanDerWaalsContact O-O 3.04Å; F375-P381 HydrophobicContact CD2-CB 4.01Å; F375-P381 HydrophobicContact CD2-CG 4.02Å; F375-P381 HydrophobicContact CE2-CB 3.91Å; F375-P381 HydrophobicContact CE2-CG 3.92Å
376	F	98.7	Very high	86	Confident	1 Å²	1	70.4 Å²	70.4	0%	0.004	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	135.5	169.7	-63.4	-70.6	0	0	0	110.1	I237 L239 M282 P285 E289 I290 A293 I351 G352 M378	I237-F376 HydrophobicContact CB-CZ 4.12Å; I237-F376 HydrophobicContact CD1-CZ 4.5Å; I237-F376 HydrophobicContact CG2-CZ 4.42Å; L239-F376 HydrophobicContact CD2-CE2 3.88Å; L239-F376 HydrophobicContact CD2-CZ 3.76Å; M282-F376 WeakPolarHBondContact CA-O 3.47Å; P285-F376 HydrophobicContact CB-CB 3.81Å; P285-F376 HydrophobicContact CB-CD1 4.41Å; P285-F376 HydrophobicContact CB-CG 4.06Å; P285-F376 HydrophobicContact CG-CB 3.85Å; P285-F376 HydrophobicContact CG-CD1 4.45Å; P285-F376 HydrophobicContact CG-CD2 3.93Å; P285-F376 HydrophobicContact CG-CG 3.82Å; E289-F376 HydrophobicContact CG-CB 4.23Å; E289-F376 HydrophobicContact CG-CD1 4.3Å; I290-F376 HydrophobicContact CB-CE1 4.27Å; I290-F376 HydrophobicContact CG1-CD1 4.43Å; I290-F376 HydrophobicContact CG1-CE1 4.1Å; I290-F376 HydrophobicContact CG1-CZ 4.41Å; I290-F376 HydrophobicContact CG2-CE1 4.29Å; I290-F376 HydrophobicContact CG2-CZ 4.5Å; A293-F376 HydrophobicContact CB-CD1 3.72Å; A293-F376 HydrophobicContact CB-CE1 3.84Å; I351-F376 HydrophobicContact CB-CE1 4.5Å; I351-F376 HydrophobicContact CB-CE2 4.49Å; I351-F376 HydrophobicContact CB-CZ 4.23Å; I351-F376 HydrophobicContact CG2-CD1 3.81Å; I351-F376 HydrophobicContact CG2-CD2 4.02Å; I351-F376 HydrophobicContact CG2-CE1 3.67Å; I351-F376 HydrophobicContact CG2-CE2 3.89Å; I351-F376 HydrophobicContact CG2-CG 3.99Å; I351-F376 HydrophobicContact CG2-CZ 3.72Å; G352-F376 WeakPolarHBondContact O-CD2 3.37Å; G352-F376 PolarHBondContact O-N 2.96Å; F376-M378 PolarHBondContact O-N 3.25Å
377	G	97.6	Very high	82.8	Confident	34 Å²	34	77.6 Å²	77.6	35%	0.351	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-0.6	-173.4	0	0	0	0	0	115.4	E289 F375	E289-G377 PolarHBondContact OE1-N 3.33Å; F375-G377 PolarHBondContact O-N 2.88Å
378	M	96.1	Very high	79.6	Confident	32 Å²	32	86.6 Å²	86.6	16%	0.158	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-153.2	80.5	178.1	-173	177.7	-78.2	0	0	110.9	C267 A276 M282 F375 F376 R380 P381	C267-M378 HydrophobicContact CB-SD 3.78Å; A276-M378 HydrophobicContact CB-CE 4.21Å; M282-M378 HydrophobicContact CE-CB 4.36Å; M282-M378 HydrophobicContact CE-CE 3.48Å; M282-M378 VanDerWaalsContact CE-CE 3.48Å; M282-M378 HydrophobicContact CE-SD 4.17Å; M282-M378 HydrophobicContact SD-CE 4.2Å; F375-M378 HydrophobicContact CB-CB 4.45Å; F375-M378 PolarHBondContact N-O 3.13Å; F375-M378 CarbonylContact O-C 3.58Å; F375-M378 PolarHBondContact O-N 3.48Å; F375-M378 VanDerWaalsContact O-O 3.04Å; F376-M378 PolarHBondContact O-N 3.25Å; M378-R380 VanDerWaalsContact C-N 3.29Å; M378-R380 PolarHBondContact O-N 2.96Å; M378-P381 HydrophobicContact CG-CB 4.44Å; M378-P381 HydrophobicContact SD-CB 4.21Å
379	D	90.8	Very high	78.7	Confident	35 Å²	35	87.1 Å²	87.1	19%	0.187	44%	0.436	C	S	.	.	S	Bend	trans	-70.1	-26.6	-175.1	-62.5	-36.4	0	0	0	113.5	R292 L296 W297 S374 P381	R292-D379 IonicContact CZ-OD1 2.65Å; R292-D379 IonicContact CZ-OD2 2.71Å; R292-D379 IonicContact NH1-OD1 3.67Å; R292-D379 IonicContact NH1-OD2 2.76Å; R292-D379 PolarHBondContact NH1-OD2 2.75Å; R292-D379 VanDerWaalsContact NH2-CG 3.26Å; R292-D379 IonicContact NH2-OD1 3.41Å; R292-D379 PolarHBondContact NH2-OD1 3.33Å; R292-D379 IonicContact NH2-OD2 2.72Å; R292-D379 PolarHBondContact NH2-OD2 3.11Å; L296-D379 HydrophobicContact CD2-CB 4Å; L296-D379 VanDerWaalsContact CD2-OD2 3.26Å; L296-D379 WeakPolarHBondContact CD2-OD2 3.49Å; W297-D379 HydrophobicContact CZ2-CB 4.35Å; W297-D379 WeakPolarHBondContact CZ2-O 3.29Å; S374-D379 WeakPolarHBondContact CB-O 3.2Å; D379-P381 WeakPolarHBondContact O-CD 3.4Å
380	R	86.3	Confident	77.8	Confident	227 Å²	227	86.5 Å²	86.5	86%	0.857	44%	0.436	S	S	*	.	S	Bend	trans	-122.7	77.1	-179.6	-63.4	-178.6	-174.9	173.3	0.6	108.5	M378	M378-R380 VanDerWaalsContact C-N 3.29Å; M378-R380 PolarHBondContact O-N 2.96Å
381	P	78.3	Confident	76.8	Confident	28 Å²	28	87.5 Å²	87.5	18%	0.182	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-60.3	148.6	176.1	27.1	-33.8	0	0	0	109.5	F375 M378 D379 Q383	F375-P381 HydrophobicContact CD2-CB 4.01Å; F375-P381 HydrophobicContact CD2-CG 4.02Å; F375-P381 HydrophobicContact CE2-CB 3.91Å; F375-P381 HydrophobicContact CE2-CG 3.92Å; M378-P381 HydrophobicContact CG-CB 4.44Å; M378-P381 HydrophobicContact SD-CB 4.21Å; D379-P381 WeakPolarHBondContact O-CD 3.4Å; P381-Q383 PolarHBondContact O-N 3.05Å
382	P	69.3	Low	75.5	Confident	86 Å²	86	88.5 Å²	88.5	56%	0.558	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-51.7	137.3	171.9	-21.2	31	0	0	0	109.7	C267 L384	C267-P382 WeakPolarHBondContact O-CD 3.47Å; P382-L384 PolarHBondContact O-N 2.64Å
383	Q	64.6	Low	74.2	Confident	185 Å²	185	89.8 Å²	89.8	86%	0.864	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-61.2	127.1	166.3	-73.3	179.6	-14.4	0	0	107.1	P381 R385	P381-Q383 PolarHBondContact O-N 3.05Å; Q383-R385 PolarHBondContact O-N 3.37Å
384	L	56.8	Low	72.6	Confident	48 Å²	48	94.5 Å²	94.5	25%	0.251	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-58.4	135.4	166.9	-67.3	161.1	0	0	0	106.2	E203 R206 P382 D386	E203-L384 WeakPolarHBondContact OE1-CD2 3.38Å; R206-L384 VanDerWaalsContact CZ-CD1 3.49Å; P382-L384 PolarHBondContact O-N 2.64Å; L384-D386 PolarHBondContact O-N 2.53Å
385	R	53.6	Low	70.7	Confident	201 Å²	201	101.3 Å²	101.3	76%	0.758	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-59.5	128.3	179.3	-67.7	-177.6	176.5	-177.5	-1.3	107.9	Q383 E387	Q383-R385 PolarHBondContact O-N 3.37Å; R385-E387 HydrophobicContact CB-CG 3.97Å; R385-E387 VanDerWaalsContact CD-OE1 3.27Å; R385-E387 WeakPolarHBondContact CD-OE1 3.24Å; R385-E387 IonicContact NH1-OE1 3.78Å; R385-E387 PolarHBondContact NH1-OE1 3.03Å; R385-E387 PolarHBondContact O-N 3.17Å
386	D	37.1	Very low	68.6	Low	145 Å²	145	109.1 Å²	109.1	78%	0.775	52%	0.517	S	S	*	.			trans	-69	75.8	164.3	-71.3	-36.2	0	0	0	107.5	L384 F388	L384-D386 PolarHBondContact O-N 2.53Å; D386-F388 VanDerWaalsContact C-N 3.32Å; D386-F388 PolarHBondContact O-N 3.2Å
387	E	30.3	Very low	66	Low	150 Å²	150	118.1 Å²	118.1	70%	0.701	56%	0.56	S	S	*	*			trans	-93	76.6	165	-69.5	-175.9	-163.5	0	0	106.6	R385	R385-E387 HydrophobicContact CB-CG 3.97Å; R385-E387 VanDerWaalsContact CD-OE1 3.27Å; R385-E387 WeakPolarHBondContact CD-OE1 3.24Å; R385-E387 IonicContact NH1-OE1 3.78Å; R385-E387 PolarHBondContact NH1-OE1 3.03Å; R385-E387 PolarHBondContact O-N 3.17Å
388	F	31.7	Very low	63.2	Low	246 Å²	246	125.7 Å²	125.7	100%	1.079	58%	0.579	S	S	*	*			trans	-100.7	0	164.2	-81.8	-72.4	0	0	0	110.3	D386	D386-F388 VanDerWaalsContact C-N 3.32Å; D386-F388 PolarHBondContact O-N 3.2Å

Retrieved 388 of 388 residues in 627.4 ms (Link to these results)

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