GALT7_DROME Loading...

N-acetylgalactosaminyltransferase 7

Glycopeptide transferase involved in O-linked oligosaccharide biosynthesis, which catalyzes the transfer of an N-acetyl-D-galactosamine residue to an already glycosylated peptide^1,2. In contrast to other proteins of the family, it does not act as a peptide transferase that transfers GalNAc onto serine or threonine residue on the protein receptor, but instead requires the prior addition of a GalNAc on a peptide before adding additional GalNAc moieties³. Some peptide transferase activity is however not excluded, considering that its appropriate peptide substrate may remain unidentified. Prefers the monoglycosylated Muc5AC-3 as substrate⁴. Might have a role in protein O-glycosylation in the Golgi and thereby in establishing and/or maintaining a proper secretory apparatus structure⁵.

AlphaFold DB , UniProt , Accession Q8MV48, Species DROME (Drosophila melanogaster, Fruit fly), Gene Pgant7, Length 591 aa.

Structure Viewer

Loading PAE data...

(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	52.1	Low	232 Å²	232	141.6 Å²	141.6	100%	1.143	72%	0.718	S	S	*	*				0	90.2	0	-69.3	162.4	86.6	0	0	109.2	V3	M1-V3 PolarHBondContact O-N 2.82Å
2	R	40.8	Very low	53.6	Low	254 Å²	254	136.9 Å²	136.9	96%	0.958	71%	0.706	S	S	*	*			trans	-91.1	89.8	171.3	-89.4	-177	175.5	174.2	-0.5	107.5	S4	R2-S4 PolarHBondContact O-N 3.02Å
3	V	45.4	Very low	55.1	Low	124 Å²	124	141.5 Å²	141.5	75%	0.752	71%	0.709	S	S	*	*			trans	-62.3	104.7	169	178	0	0	0	0	106.1	M1 T5	M1-V3 PolarHBondContact O-N 2.82Å; V3-T5 PolarHBondContact O-N 3.02Å
4	S	47.5	Very low	56.5	Low	88 Å²	88	139.6 Å²	139.6	62%	0.615	70%	0.701	S	S	*	*			trans	-65.2	110.6	176.2	70.2	0	0	0	0	107.2	R2 I6	R2-S4 PolarHBondContact O-N 3.02Å; S4-I6 PolarHBondContact O-N 3.37Å
5	T	49.6	Very low	57.9	Low	124 Å²	124	133.3 Å²	133.3	76%	0.761	68%	0.68	S	S	*	*			trans	-60.7	85.9	164.9	38.8	0	0	0	0	107.5	V3 R7	V3-T5 PolarHBondContact O-N 3.02Å; T5-R7 VanDerWaalsContact C-N 3.28Å; T5-R7 PolarHBondContact O-N 2.94Å
6	I	48.9	Very low	59.1	Low	125 Å²	125	132.3 Å²	132.3	64%	0.641	68%	0.675	S	S	*	*			trans	-59.6	102.6	167.5	-67.2	175.4	0	0	0	104.6	S4 S8 I11	S4-I6 PolarHBondContact O-N 3.37Å; I6-S8 PolarHBondContact O-N 3.34Å; I6-I11 HydrophobicContact CG2-CD1 4.02Å; I6-I11 HydrophobicContact CG2-CG1 4.46Å
7	R	54.1	Low	60.3	Low	186 Å²	186	128.8 Å²	128.8	70%	0.702	67%	0.665	S	S	*	*			trans	-49.8	107.9	-174.9	-73.7	177.3	173.8	175.9	-2.3	108.3	T5 G9 R10	T5-R7 VanDerWaalsContact C-N 3.28Å; T5-R7 PolarHBondContact O-N 2.94Å; R7-G9 PolarHBondContact O-N 2.78Å; R7-R10 PolarHBondContact O-N 3.37Å
8	S	56	Low	61.4	Low	101 Å²	101	126.9 Å²	126.9	71%	0.706	66%	0.655	S	S	*	*	H	α-helix	trans	-44.8	-31.9	175.8	52.7	0	0	0	0	112.5	I6 R10 I11 C12	I6-S8 PolarHBondContact O-N 3.34Å; S8-R10 VanDerWaalsContact C-N 3.35Å; S8-R10 PolarHBondContact O-N 3.06Å; S8-I11 PolarHBondContact O-N 2.92Å; S8-C12 PolarHBondContact O-N 2.87Å
9	G	60.7	Low	62.4	Low	39 Å²	39	127.1 Å²	127.1	40%	0.402	66%	0.656	S	S	.	*	H	α-helix	trans	-61.1	-29.4	175.5	0	0	0	0	0	116.1	R7 R13	R7-G9 PolarHBondContact O-N 2.78Å; G9-R13 WeakPolarHBondContact O-CG 3.4Å; G9-R13 PolarHBondContact O-N 3.42Å
10	R	62.8	Low	63.3	Low	180 Å²	180	125 Å²	125	68%	0.679	65%	0.649	S	S	*	*	H	α-helix	trans	-74.9	-40.9	177.1	-77.8	-171.9	-179.9	176.4	0.1	111.9	R7 S8 R13 L14	R7-R10 PolarHBondContact O-N 3.37Å; S8-R10 VanDerWaalsContact C-N 3.35Å; S8-R10 PolarHBondContact O-N 3.06Å; R10-R13 PolarHBondContact O-N 3.04Å; R10-L14 PolarHBondContact O-N 3Å
11	I	67.5	Low	64.3	Low	105 Å²	105	123.5 Å²	123.5	54%	0.538	64%	0.642	S	S	.	*	H	α-helix	trans	-66.1	-43	177.4	-60.3	174.5	0	0	0	109.7	I6 S8 R13 L14 A15	I6-I11 HydrophobicContact CG2-CD1 4.02Å; I6-I11 HydrophobicContact CG2-CG1 4.46Å; S8-I11 PolarHBondContact O-N 2.92Å; I11-R13 VanDerWaalsContact C-N 3.35Å; I11-R13 PolarHBondContact O-N 3.26Å; I11-L14 PolarHBondContact O-N 3.45Å; I11-A15 WeakPolarHBondContact O-CB 3.45Å; I11-A15 PolarHBondContact O-N 3.37Å
12	C	70.4	Confident	66.4	Low	85 Å²	85	117.6 Å²	117.6	57%	0.574	62%	0.615	S	S	*	*	H	α-helix	trans	-59.1	-42.9	175.7	-117	0	0	0	0	112.4	S8 A15 L16	S8-C12 PolarHBondContact O-N 2.87Å; C12-A15 PolarHBondContact O-N 2.94Å; C12-L16 PolarHBondContact O-N 2.91Å
13	R	72.8	Confident	68.3	Low	196 Å²	196	108.7 Å²	108.7	74%	0.74	59%	0.589	S	S	*	*	H	α-helix	trans	-65.4	-41.6	176	-76.1	-178.5	-171.5	-175.2	1.7	112.9	G9 R10 I11 L16 C17	G9-R13 WeakPolarHBondContact O-CG 3.4Å; G9-R13 PolarHBondContact O-N 3.42Å; R10-R13 PolarHBondContact O-N 3.04Å; I11-R13 VanDerWaalsContact C-N 3.35Å; I11-R13 PolarHBondContact O-N 3.26Å; R13-L16 PolarHBondContact O-N 3.37Å; R13-C17 PolarHBondContact O-N 3.19Å; R13-C17 PolarHBondContact O-SG 3.41Å
14	L	75	Confident	69.9	Low	115 Å²	115	107 Å²	107	60%	0.602	58%	0.576	S	S	*	*	H	α-helix	trans	-63	-43.1	176.1	-92.2	152.2	0	0	0	111.9	R10 I11 C17 L18	R10-L14 PolarHBondContact O-N 3Å; I11-L14 PolarHBondContact O-N 3.45Å; L14-C17 PolarHBondContact O-N 3.27Å; L14-L18 PolarHBondContact O-N 3.28Å
15	A	76.6	Confident	71.5	Confident	46 Å²	46	107.9 Å²	107.9	38%	0.38	57%	0.573	S	S	.	*	H	α-helix	trans	-62.1	-42.8	175.8	0	0	0	0	0	111.7	I11 C12 L18 L19	I11-A15 WeakPolarHBondContact O-CB 3.45Å; I11-A15 PolarHBondContact O-N 3.37Å; C12-A15 PolarHBondContact O-N 2.94Å; A15-L18 PolarHBondContact O-N 3.38Å; A15-L19 WeakPolarHBondContact O-CB 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.34Å; A15-L19 PolarHBondContact O-N 2.97Å
16	L	78.2	Confident	72.7	Confident	117 Å²	117	109.4 Å²	109.4	61%	0.613	57%	0.566	S	S	*	*	H	α-helix	trans	-64.5	-40.8	176.3	-126.9	119.7	0	0	0	112.3	C12 R13 L19 V20	C12-L16 PolarHBondContact O-N 2.91Å; R13-L16 PolarHBondContact O-N 3.37Å; L16-L19 PolarHBondContact O-N 3.35Å; L16-V20 PolarHBondContact O-N 2.97Å
17	C	79.6	Confident	73.8	Confident	73 Å²	73	109 Å²	109	49%	0.493	56%	0.564	S	S	.	*	H	α-helix	trans	-63.2	-43.1	175.1	-75.8	0	0	0	0	111.9	R13 L14 L19 V20 L21	R13-C17 PolarHBondContact O-N 3.19Å; R13-C17 PolarHBondContact O-SG 3.41Å; L14-C17 PolarHBondContact O-N 3.27Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-V20 PolarHBondContact O-N 2.85Å; C17-L21 HydrophobicContact CB-CD1 4.43Å; C17-L21 VanDerWaalsContact O-CB 3.3Å; C17-L21 WeakPolarHBondContact O-CB 3.49Å; C17-L21 PolarHBondContact O-N 3.22Å
18	L	79.5	Confident	74.7	Confident	94 Å²	94	104.7 Å²	104.7	49%	0.492	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-38.8	177	-79.4	164.4	0	0	0	112.1	L14 A15 V20 L21 L22	L14-L18 PolarHBondContact O-N 3.28Å; A15-L18 PolarHBondContact O-N 3.38Å; L18-V20 PolarHBondContact O-N 3.33Å; L18-L21 PolarHBondContact O-N 3.31Å; L18-L22 HydrophobicContact CB-CD1 4.47Å; L18-L22 HydrophobicContact CD2-CD1 4.36Å; L18-L22 HydrophobicContact CD2-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 WeakPolarHBondContact O-CG 3.36Å; L18-L22 PolarHBondContact O-N 3.45Å
19	L	80	Confident	75.3	Confident	130 Å²	130	102.7 Å²	102.7	68%	0.681	55%	0.545	S	S	*	.	H	α-helix	trans	-62.4	-24.9	175.8	-78.8	166.2	0	0	0	113.3	A15 L16 C17 P23	A15-L19 WeakPolarHBondContact O-CB 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.34Å; A15-L19 PolarHBondContact O-N 2.97Å; L16-L19 PolarHBondContact O-N 3.35Å; C17-L19 VanDerWaalsContact C-N 3.34Å; L19-P23 WeakPolarHBondContact O-CD 3.44Å; L19-P23 WeakPolarHBondContact O-CG 3.41Å
20	V	80.8	Confident	75.5	Confident	85 Å²	85	103.9 Å²	103.9	52%	0.515	54%	0.542	S	S	.	.	H	α-helix	trans	-95	-41.5	176.5	176.8	0	0	0	0	111.8	L16 C17 L18 P23 L24	L16-V20 PolarHBondContact O-N 2.97Å; C17-V20 PolarHBondContact O-N 2.85Å; L18-V20 PolarHBondContact O-N 3.33Å; V20-P23 WeakPolarHBondContact O-CD 3.42Å; V20-L24 HydrophobicContact CG1-CD1 3.96Å; V20-L24 WeakPolarHBondContact O-CB 3.28Å; V20-L24 PolarHBondContact O-N 3.03Å
21	L	84.9	Confident	75.6	Confident	95 Å²	95	103.1 Å²	103.1	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-69.9	-40.3	-176.2	-87.9	158	0	0	0	113.1	C17 L18 L24 L25	C17-L21 HydrophobicContact CB-CD1 4.43Å; C17-L21 VanDerWaalsContact O-CB 3.3Å; C17-L21 WeakPolarHBondContact O-CB 3.49Å; C17-L21 PolarHBondContact O-N 3.22Å; L18-L21 PolarHBondContact O-N 3.31Å; L21-L24 PolarHBondContact O-N 2.89Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.29Å
22	L	82.6	Confident	75.7	Confident	108 Å²	108	100.6 Å²	100.6	57%	0.565	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-46.7	-178.2	-72.6	168.8	0	0	0	112.1	L18 L24 L25 Y26	L18-L22 HydrophobicContact CB-CD1 4.47Å; L18-L22 HydrophobicContact CD2-CD1 4.36Å; L18-L22 HydrophobicContact CD2-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 WeakPolarHBondContact O-CG 3.36Å; L18-L22 PolarHBondContact O-N 3.45Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 2.86Å; L22-Y26 WeakPolarHBondContact O-CB 3.15Å; L22-Y26 PolarHBondContact O-N 2.84Å
23	P	80.5	Confident	75.6	Confident	66 Å²	66	100 Å²	100	43%	0.429	52%	0.522	S	S	.	.	H	α-helix	trans	-61	-39.7	172.4	-24.7	34.4	0	0	0	113.2	L19 V20 Y26 L27	L19-P23 WeakPolarHBondContact O-CD 3.44Å; L19-P23 WeakPolarHBondContact O-CG 3.41Å; V20-P23 WeakPolarHBondContact O-CD 3.42Å; P23-Y26 PolarHBondContact O-N 2.85Å; P23-L27 WeakPolarHBondContact O-CB 3.39Å; P23-L27 VanDerWaalsContact O-CG 3.3Å; P23-L27 WeakPolarHBondContact O-CG 3.24Å; P23-L27 PolarHBondContact O-N 3.47Å
24	L	79.9	Confident	75.2	Confident	90 Å²	90	95 Å²	95	47%	0.471	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-44.6	178.1	-108.7	150.9	0	0	0	112.2	V20 L21 L22 Y26 L27 L28	V20-L24 HydrophobicContact CG1-CD1 3.96Å; V20-L24 WeakPolarHBondContact O-CB 3.28Å; V20-L24 PolarHBondContact O-N 3.03Å; L21-L24 PolarHBondContact O-N 2.89Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3.43Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 3.41Å; L24-L28 WeakPolarHBondContact O-CB 3.3Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.36Å
25	L	80.5	Confident	74.9	Confident	105 Å²	105	93.4 Å²	93.4	55%	0.55	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-38.8	175.7	-75.3	169.3	0	0	0	111.6	L21 L22 L28 A29	L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.29Å; L22-L25 PolarHBondContact O-N 2.86Å; L25-L28 PolarHBondContact O-N 2.85Å; L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.21Å; L25-A29 PolarHBondContact O-N 3.42Å
26	Y	76.4	Confident	74.5	Confident	156 Å²	156	96.7 Å²	96.7	61%	0.612	50%	0.501	S	S	*	.	H	α-helix	trans	-64.7	-44.1	175.1	-178.9	-101.8	0	0	0	112.1	L22 P23 L24 A29 N30	L22-Y26 WeakPolarHBondContact O-CB 3.15Å; L22-Y26 PolarHBondContact O-N 2.84Å; P23-Y26 PolarHBondContact O-N 2.85Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; Y26-A29 PolarHBondContact O-N 3.14Å; Y26-N30 WeakPolarHBondContact CE1-ND2 3.21Å; Y26-N30 WeakPolarHBondContact O-CB 3.19Å; Y26-N30 PolarHBondContact O-N 3.06Å; Y26-N30 PolarHBondContact OH-ND2 3.35Å
27	L	71.8	Confident	73.9	Confident	116 Å²	116	96.1 Å²	96.1	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-61.9	-44.9	174.2	-76.3	168.6	0	0	0	111.5	P23 L24 N30 W31	P23-L27 WeakPolarHBondContact O-CB 3.39Å; P23-L27 VanDerWaalsContact O-CG 3.3Å; P23-L27 WeakPolarHBondContact O-CG 3.24Å; P23-L27 PolarHBondContact O-N 3.47Å; L24-L27 PolarHBondContact O-N 3.41Å; L27-N30 PolarHBondContact O-N 2.76Å; L27-W31 WeakPolarHBondContact O-CB 3.34Å; L27-W31 PolarHBondContact O-N 3.15Å
28	L	71.7	Confident	73.1	Confident	97 Å²	97	94.8 Å²	94.8	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-64.6	-39.4	177.2	-76.4	168	0	0	0	112.3	L24 L25 S32	L24-L28 WeakPolarHBondContact O-CB 3.3Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.36Å; L25-L28 PolarHBondContact O-N 2.85Å; L28-S32 WeakPolarHBondContact O-CB 3.4Å; L28-S32 PolarHBondContact O-N 2.85Å
29	A	69	Low	72.3	Confident	59 Å²	59	94.5 Å²	94.5	49%	0.488	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-46.7	177.2	0	0	0	0	0	111.7	L25 Y26 S32 D33	L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.21Å; L25-A29 PolarHBondContact O-N 3.42Å; Y26-A29 PolarHBondContact O-N 3.14Å; A29-S32 WeakPolarHBondContact O-CB 3.35Å; A29-S32 PolarHBondContact O-N 3.08Å; A29-D33 PolarHBondContact O-N 3.42Å
30	N	65.7	Low	71.5	Confident	64 Å²	64	94.1 Å²	94.1	34%	0.342	47%	0.472	S	S	.	.	H	α-helix	trans	-66.9	-38.7	177	-82.3	-21.5	0	0	0	112.6	Y26 L27 S32 D33 H34	Y26-N30 WeakPolarHBondContact CE1-ND2 3.21Å; Y26-N30 WeakPolarHBondContact O-CB 3.19Å; Y26-N30 PolarHBondContact O-N 3.06Å; Y26-N30 PolarHBondContact OH-ND2 3.35Å; L27-N30 PolarHBondContact O-N 2.76Å; N30-S32 VanDerWaalsContact C-N 3.33Å; N30-D33 PolarHBondContact O-N 3.21Å; N30-H34 WeakPolarHBondContact O-CB 3.27Å; N30-H34 PolarHBondContact O-N 3.23Å
31	W	63.4	Low	70.5	Confident	164 Å²	164	91.2 Å²	91.2	62%	0.621	46%	0.456	S	S	*	.	H	α-helix	trans	-64.5	-41.1	173.6	-174.5	74.7	0	0	0	110.8	L27 H35	L27-W31 WeakPolarHBondContact O-CB 3.34Å; L27-W31 PolarHBondContact O-N 3.15Å; W31-H35 WeakPolarHBondContact O-CB 3.4Å; W31-H35 PolarHBondContact O-N 3.38Å
32	S	71.5	Confident	69.2	Low	51 Å²	51	93.1 Å²	93.1	36%	0.357	46%	0.458	S	S	.	.	H	α-helix	trans	-63.9	-39.7	174.4	180	0	0	0	0	112.7	L28 A29 N30 K36	L28-S32 WeakPolarHBondContact O-CB 3.4Å; L28-S32 PolarHBondContact O-N 2.85Å; A29-S32 WeakPolarHBondContact O-CB 3.35Å; A29-S32 PolarHBondContact O-N 3.08Å; N30-S32 VanDerWaalsContact C-N 3.33Å; S32-K36 VanDerWaalsContact O-CB 3.23Å; S32-K36 WeakPolarHBondContact O-CB 3.15Å; S32-K36 VanDerWaalsContact O-CG 3.31Å; S32-K36 WeakPolarHBondContact O-CG 3.45Å; S32-K36 PolarHBondContact O-N 2.96Å
33	D	67.4	Low	68	Low	73 Å²	73	93.2 Å²	93.2	39%	0.39	46%	0.455	S	S	.	.	H	α-helix	trans	-70.3	-44.2	179.6	-160.4	54.1	0	0	0	111	A29 N30 H35 K36 R37	A29-D33 PolarHBondContact O-N 3.42Å; N30-D33 PolarHBondContact O-N 3.21Å; D33-H35 PolarHBondContact O-N 3.42Å; D33-K36 PolarHBondContact O-N 3.38Å; D33-R37 WeakPolarHBondContact O-CG 3.35Å; D33-R37 PolarHBondContact O-N 3.12Å; D33-R37 IonicContact OD2-CZ 3.67Å; D33-R37 IonicContact OD2-NE 3.53Å; D33-R37 PolarHBondContact OD2-NE 2.97Å; D33-R37 VanDerWaalsContact OD2-NE 3.14Å; D33-R37 IonicContact OD2-NH2 3.61Å; D33-R37 PolarHBondContact OD2-NH2 3.1Å
34	H	64.9	Low	66.7	Low	90 Å²	90	92.2 Å²	92.2	42%	0.417	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-46.4	173.7	-176.6	69.5	0	0	0	111.6	N30 K36 R37 V38	N30-H34 WeakPolarHBondContact O-CB 3.27Å; N30-H34 PolarHBondContact O-N 3.23Å; H34-K36 VanDerWaalsContact C-N 3.34Å; H34-K36 PolarHBondContact O-N 2.95Å; H34-R37 PolarHBondContact O-N 3.07Å; H34-V38 VanDerWaalsContact O-CG2 3.31Å; H34-V38 WeakPolarHBondContact O-CG2 3.31Å; H34-V38 PolarHBondContact O-N 3.17Å
35	H	67.5	Low	65.4	Low	83 Å²	83	89.7 Å²	89.7	38%	0.384	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-38	178.5	-157.6	76.4	0	0	0	111.8	W31 D33 V38 Q39	W31-H35 WeakPolarHBondContact O-CB 3.4Å; W31-H35 PolarHBondContact O-N 3.38Å; D33-H35 PolarHBondContact O-N 3.42Å; H35-V38 PolarHBondContact O-N 2.84Å; H35-Q39 VanDerWaalsContact O-CB 3.31Å; H35-Q39 WeakPolarHBondContact O-CB 3.46Å; H35-Q39 PolarHBondContact O-N 3.5Å
36	K	68.6	Low	64.2	Low	114 Å²	114	89.6 Å²	89.6	50%	0.496	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-47.2	172	-87.4	-177.9	177.4	-179.2	0	111.9	S32 D33 H34 V38 Q39 E40	S32-K36 VanDerWaalsContact O-CB 3.23Å; S32-K36 WeakPolarHBondContact O-CB 3.15Å; S32-K36 VanDerWaalsContact O-CG 3.31Å; S32-K36 WeakPolarHBondContact O-CG 3.45Å; S32-K36 PolarHBondContact O-N 2.96Å; D33-K36 PolarHBondContact O-N 3.38Å; H34-K36 VanDerWaalsContact C-N 3.34Å; H34-K36 PolarHBondContact O-N 2.95Å; K36-V38 VanDerWaalsContact C-N 3.34Å; K36-V38 PolarHBondContact O-N 2.85Å; K36-Q39 CarbonylContact O-C 3.57Å; K36-Q39 PolarHBondContact O-N 3.27Å; K36-E40 WeakPolarHBondContact O-CB 3.19Å; K36-E40 WeakPolarHBondContact O-CG 3.49Å; K36-E40 PolarHBondContact O-N 2.89Å
37	R	66.2	Low	62.7	Low	106 Å²	106	83.9 Å²	83.9	40%	0.4	42%	0.416	S	S	.	.	H	α-helix	trans	-62.6	-41.1	177.6	-70.3	-177.8	-163.6	-150.6	7.1	111.9	D33 H34 E40 A41	D33-R37 WeakPolarHBondContact O-CG 3.35Å; D33-R37 PolarHBondContact O-N 3.12Å; D33-R37 IonicContact OD2-CZ 3.67Å; D33-R37 IonicContact OD2-NE 3.53Å; D33-R37 PolarHBondContact OD2-NE 2.97Å; D33-R37 VanDerWaalsContact OD2-NE 3.14Å; D33-R37 IonicContact OD2-NH2 3.61Å; D33-R37 PolarHBondContact OD2-NH2 3.1Å; H34-R37 PolarHBondContact O-N 3.07Å; R37-E40 PolarHBondContact O-N 3.47Å; R37-A41 VanDerWaalsContact O-CB 3.25Å; R37-A41 WeakPolarHBondContact O-CB 3.31Å; R37-A41 PolarHBondContact O-N 3.33Å
38	V	62.1	Low	61.2	Low	45 Å²	45	80 Å²	80	27%	0.273	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-44	174.1	171.9	0	0	0	0	111	H34 H35 K36 Y42	H34-V38 VanDerWaalsContact O-CG2 3.31Å; H34-V38 WeakPolarHBondContact O-CG2 3.31Å; H34-V38 PolarHBondContact O-N 3.17Å; H35-V38 PolarHBondContact O-N 2.84Å; K36-V38 VanDerWaalsContact C-N 3.34Å; K36-V38 PolarHBondContact O-N 2.85Å; V38-Y42 WeakPolarHBondContact O-CB 3.31Å; V38-Y42 PolarHBondContact O-N 2.84Å
39	Q	62.9	Low	60	Low	87 Å²	87	82 Å²	82	41%	0.407	42%	0.423	S	S	.	.	H	α-helix	trans	-65.8	-42.7	176	-98.7	-173.5	-47.9	0	0	112.2	H35 K36 Y42 H43	H35-Q39 VanDerWaalsContact O-CB 3.31Å; H35-Q39 WeakPolarHBondContact O-CB 3.46Å; H35-Q39 PolarHBondContact O-N 3.5Å; K36-Q39 CarbonylContact O-C 3.57Å; K36-Q39 PolarHBondContact O-N 3.27Å; Q39-Y42 PolarHBondContact O-N 2.8Å; Q39-H43 VanDerWaalsContact O-CB 3.26Å; Q39-H43 WeakPolarHBondContact O-CB 3.4Å; Q39-H43 PolarHBondContact O-CD2 3.02Å; Q39-H43 PolarHBondContact O-N 3.4Å
40	E	64.4	Low	58.8	Low	123 Å²	123	88 Å²	88	58%	0.575	44%	0.438	S	S	*	.	H	α-helix	trans	-64.2	-45	177.5	-78.6	178.5	-177.2	0	0	110.3	K36 R37 Y42 T44	K36-E40 WeakPolarHBondContact O-CB 3.19Å; K36-E40 WeakPolarHBondContact O-CG 3.49Å; K36-E40 PolarHBondContact O-N 2.89Å; R37-E40 PolarHBondContact O-N 3.47Å; E40-Y42 PolarHBondContact O-N 3.44Å; E40-T44 WeakPolarHBondContact O-CB 3.23Å; E40-T44 PolarHBondContact O-N 2.94Å; E40-T44 PolarHBondContact O-OG1 2.9Å
41	A	59.1	Low	57.6	Low	24 Å²	24	90 Å²	90	20%	0.198	44%	0.444	C	S	.	.	H	α-helix	trans	-60.3	-44.5	172.8	0	0	0	0	0	111.5	R37 R45 D140	R37-A41 VanDerWaalsContact O-CB 3.25Å; R37-A41 WeakPolarHBondContact O-CB 3.31Å; R37-A41 PolarHBondContact O-N 3.33Å; A41-R45 WeakPolarHBondContact O-CB 3.18Å; A41-R45 PolarHBondContact O-N 3.01Å; A41-D140 HydrophobicContact CB-CB 4.17Å
42	Y	57.8	Low	56.6	Low	134 Å²	134	83.8 Å²	83.8	53%	0.525	43%	0.427	S	S	.	.	H	α-helix	trans	-63.6	-51.7	177.5	-175.9	-87.9	0	0	0	112.2	V38 Q39 E40 T44 R45 F46	V38-Y42 WeakPolarHBondContact O-CB 3.31Å; V38-Y42 PolarHBondContact O-N 2.84Å; Q39-Y42 PolarHBondContact O-N 2.8Å; E40-Y42 PolarHBondContact O-N 3.44Å; Y42-T44 VanDerWaalsContact C-N 3.35Å; Y42-T44 PolarHBondContact O-N 3.5Å; Y42-R45 PolarHBondContact O-N 3.29Å; Y42-F46 HydrophobicContact CD1-CD2 4.26Å; Y42-F46 AromaticContact CD2-CD2 3.36Å; Y42-F46 HydrophobicContact CD2-CD2 3.36Å; Y42-F46 AromaticContact CD2-CE2 3.68Å; Y42-F46 HydrophobicContact CD2-CE2 3.68Å; Y42-F46 HydrophobicContact CD2-CG 4.41Å; Y42-F46 HydrophobicContact CE1-CB 4.15Å; Y42-F46 HydrophobicContact CE1-CD2 4.29Å; Y42-F46 AromaticContact CE2-CD2 3.39Å; Y42-F46 HydrophobicContact CE2-CD2 3.39Å; Y42-F46 AromaticContact CE2-CE2 3.78Å; Y42-F46 HydrophobicContact CE2-CE2 3.78Å; Y42-F46 HydrophobicContact CE2-CG 4.1Å; Y42-F46 AromaticContact CG-CD2 3.8Å; Y42-F46 HydrophobicContact CG-CD2 3.8Å; Y42-F46 HydrophobicContact CG-CE2 4.46Å; Y42-F46 AromaticContact CZ-CD2 3.88Å; Y42-F46 WeakPolarHBondContact O-CB 3.26Å; Y42-F46 WeakPolarHBondContact O-CD2 3.25Å; Y42-F46 PolarHBondContact O-N 3.49Å
43	H	57	Low	55.1	Low	110 Å²	110	89.4 Å²	89.4	51%	0.509	45%	0.448	S	S	.	.	H	α-helix	trans	-66.7	-35.5	-179.4	-76.1	-59.5	0	0	0	112.4	Q39 R45 G47	Q39-H43 VanDerWaalsContact O-CB 3.26Å; Q39-H43 WeakPolarHBondContact O-CB 3.4Å; Q39-H43 PolarHBondContact O-CD2 3.02Å; Q39-H43 PolarHBondContact O-N 3.4Å; H43-R45 VanDerWaalsContact C-N 3.25Å; H43-R45 PolarHBondContact O-N 3.31Å; H43-G47 PolarHBondContact O-N 2.87Å; H43-G47 VanDerWaalsContact O-N 3.15Å
44	T	53.5	Low	53.8	Low	46 Å²	46	93.2 Å²	93.2	28%	0.282	46%	0.463	S	S	.	.	H	α-helix	trans	-63.8	-34	175.5	-59.5	0	0	0	0	111.1	E40 Y42	E40-T44 WeakPolarHBondContact O-CB 3.23Å; E40-T44 PolarHBondContact O-N 2.94Å; E40-T44 PolarHBondContact O-OG1 2.9Å; Y42-T44 VanDerWaalsContact C-N 3.35Å; Y42-T44 PolarHBondContact O-N 3.5Å
45	R	53.2	Low	52.6	Low	36 Å²	36	95.6 Å²	95.6	14%	0.136	47%	0.469	C	S	.	.	H	α-helix	trans	-95.1	-39.8	-175.5	-151.4	177.5	-166.9	146.4	7.1	114.4	A41 Y42 H43 A52 D140 L141 E229	A41-R45 WeakPolarHBondContact O-CB 3.18Å; A41-R45 PolarHBondContact O-N 3.01Å; Y42-R45 PolarHBondContact O-N 3.29Å; H43-R45 VanDerWaalsContact C-N 3.25Å; H43-R45 PolarHBondContact O-N 3.31Å; R45-A52 WeakPolarHBondContact O-CB 3.32Å; R45-D140 PolarHBondContact NH1-O 2.84Å; R45-L141 PolarHBondContact NH1-O 2.71Å; R45-E229 IonicContact CZ-OE1 2.89Å; R45-E229 IonicContact CZ-OE2 3.14Å; R45-E229 IonicContact NE-OE1 3.96Å; R45-E229 IonicContact NE-OE2 2.72Å; R45-E229 IonicContact NH1-OE1 3.32Å; R45-E229 IonicContact NH2-OE1 3.51Å; R45-E229 PolarHBondContact NH2-OE1 3.45Å; R45-E229 IonicContact NH2-OE2 2.96Å; R45-E229 PolarHBondContact NH2-OE2 3.03Å
46	F	54.4	Low	51.5	Low	104 Å²	104	93.7 Å²	93.7	46%	0.456	46%	0.461	S	S	.	.	H	α-helix	trans	-102.7	6.2	-175.2	-60	-72	0	0	0	114.3	Y42 G48	Y42-F46 HydrophobicContact CD1-CD2 4.26Å; Y42-F46 AromaticContact CD2-CD2 3.36Å; Y42-F46 HydrophobicContact CD2-CD2 3.36Å; Y42-F46 AromaticContact CD2-CE2 3.68Å; Y42-F46 HydrophobicContact CD2-CE2 3.68Å; Y42-F46 HydrophobicContact CD2-CG 4.41Å; Y42-F46 HydrophobicContact CE1-CB 4.15Å; Y42-F46 HydrophobicContact CE1-CD2 4.29Å; Y42-F46 AromaticContact CE2-CD2 3.39Å; Y42-F46 HydrophobicContact CE2-CD2 3.39Å; Y42-F46 AromaticContact CE2-CE2 3.78Å; Y42-F46 HydrophobicContact CE2-CE2 3.78Å; Y42-F46 HydrophobicContact CE2-CG 4.1Å; Y42-F46 AromaticContact CG-CD2 3.8Å; Y42-F46 HydrophobicContact CG-CD2 3.8Å; Y42-F46 HydrophobicContact CG-CE2 4.46Å; Y42-F46 AromaticContact CZ-CD2 3.88Å; Y42-F46 WeakPolarHBondContact O-CB 3.26Å; Y42-F46 WeakPolarHBondContact O-CD2 3.25Å; Y42-F46 PolarHBondContact O-N 3.49Å; F46-G48 PolarHBondContact O-N 2.73Å
47	G	44.7	Very low	50.7	Low	36 Å²	36	96.7 Å²	96.7	37%	0.371	48%	0.477	S	S	.	.	S	Bend	trans	-65.6	75.2	171.7	0	0	0	0	0	112.7	H43	H43-G47 PolarHBondContact O-N 2.87Å; H43-G47 VanDerWaalsContact O-N 3.15Å
48	G	40.3	Very low	49.9	Very low	35 Å²	35	94.8 Å²	94.8	36%	0.361	49%	0.491	S	S	.	.			trans	78.8	135	170.4	0	0	0	0	0	115.5	F46 K50 F51	F46-G48 PolarHBondContact O-N 2.73Å; G48-K50 PolarHBondContact O-N 3.06Å; G48-F51 PolarHBondContact O-N 3.22Å; G48-F51 VanDerWaalsContact O-N 3.14Å
49	P	47.6	Very low	49.2	Very low	139 Å²	139	100.8 Å²	100.8	90%	0.903	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.1	-173	22.5	-31.8	0	0	0	114.9
50	K	43	Very low	49.1	Very low	185 Å²	185	102.6 Å²	102.6	80%	0.804	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.7	177.3	-79.1	-170.7	174.7	-177.2	0	114.8	G48	G48-K50 PolarHBondContact O-N 3.06Å
51	F	41.1	Very low	49.3	Very low	105 Å²	105	101.8 Å²	101.8	46%	0.461	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-9.7	-173.1	-76.6	-78.9	0	0	0	115.5	G48 R55	G48-F51 PolarHBondContact O-N 3.22Å; G48-F51 VanDerWaalsContact O-N 3.14Å; F51-R55 HydrophobicContact CB-CG 4.4Å; F51-R55 HydrophobicContact CD1-CG 4.48Å; F51-R55 WeakPolarHBondContact O-CB 3.35Å; F51-R55 PolarHBondContact O-N 3.45Å
52	A	41.6	Very low	50.4	Low	33 Å²	33	106.1 Å²	106.1	27%	0.273	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-45.6	-173	0	0	0	0	0	113.5	R45	R45-A52 WeakPolarHBondContact O-CB 3.32Å
53	H	40.4	Very low	51.8	Low	170 Å²	170	103.8 Å²	103.8	79%	0.787	54%	0.535	S	S	*	.	H	α-helix	trans	-73.5	-37.5	178.1	-89.1	-66.7	0	0	0	113
54	Q	39.5	Very low	53.6	Low	153 Å²	153	100.7 Å²	100.7	72%	0.715	52%	0.524	S	S	*	.	H	α-helix	trans	-77.7	-26.3	-176.6	-91	-180	-16.2	0	0	114.5
55	R	39.3	Very low	55.6	Low	139 Å²	139	104.6 Å²	104.6	53%	0.525	54%	0.537	S	S	.	.	H	α-helix	trans	-80.3	-26.1	-178.4	-78.4	-171.6	-168.6	-176.7	5.6	114.4	F51 E57 G58	F51-R55 HydrophobicContact CB-CG 4.4Å; F51-R55 HydrophobicContact CD1-CG 4.48Å; F51-R55 WeakPolarHBondContact O-CB 3.35Å; F51-R55 PolarHBondContact O-N 3.45Å; R55-E57 VanDerWaalsContact C-N 3.35Å; R55-G58 PolarHBondContact O-N 3.46Å
56	L	44.9	Very low	57.7	Low	44 Å²	44	106.2 Å²	106.2	23%	0.23	55%	0.549	C	S	.	.	H	α-helix	trans	-73.9	-25.1	-178.2	-76.3	169.6	0	0	0	113.2	G58	L56-G58 PolarHBondContact O-N 2.71Å
57	E	51.5	Low	59.7	Low	176 Å²	176	103.5 Å²	103.5	82%	0.822	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.9	178.4	-68.4	-174.2	163.2	0	0	113.2	R55	R55-E57 VanDerWaalsContact C-N 3.35Å
58	G	49	Very low	62	Low	67 Å²	67	110.3 Å²	110.3	69%	0.691	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-18.4	-173.8	0	0	0	0	0	116.6	R55 L56	R55-G58 PolarHBondContact O-N 3.46Å; L56-G58 PolarHBondContact O-N 2.71Å
59	R	48.1	Very low	64.5	Low	171 Å²	171	110.4 Å²	110.4	65%	0.645	57%	0.569	S	S	*	*	S	Bend	trans	-92	136.5	176.4	-80.3	-172.6	175.9	176.9	-0.7	110.1	R61	R59-R61 PolarHBondContact O-N 2.8Å
60	P	60.4	Low	66.8	Low	124 Å²	124	109.5 Å²	109.5	81%	0.805	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-59.1	116.4	167.3	24.7	-30.6	0	0	0	107.8	E62	P60-E62 PolarHBondContact O-N 3.21Å
61	R	69.3	Low	69.4	Low	107 Å²	107	101 Å²	101	40%	0.404	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-57.6	130.3	177	-75.3	-171.8	-178.2	166.6	3.1	108.5	R59 V63 Y253	R59-R61 PolarHBondContact O-N 2.8Å; R61-V63 PolarHBondContact O-N 3.47Å; R61-Y253 HydrophobicContact CB-CD1 4.42Å; R61-Y253 HydrophobicContact CB-CE1 3.64Å; R61-Y253 WeakPolarHBondContact CD-O 3.42Å; R61-Y253 HydrophobicContact CG-CE1 3.87Å; R61-Y253 PolarHBondContact NH1-O 3.27Å
62	E	81.8	Confident	71.9	Confident	115 Å²	115	97.9 Å²	97.9	54%	0.537	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-58.1	138.6	172.1	-70	-174.2	175.8	0	0	108.8	P60 P138	P60-E62 PolarHBondContact O-N 3.21Å; E62-P138 HydrophobicContact CB-CB 4.07Å; E62-P138 HydrophobicContact CB-CG 3.96Å; E62-P138 WeakPolarHBondContact O-CG 3.28Å
63	V	88.2	Confident	74.5	Confident	85 Å²	85	97.7 Å²	97.7	52%	0.515	50%	0.502	S	S	.	.			trans	-107.9	149.5	175.6	-65.6	0	0	0	0	108.6	R61	R61-V63 PolarHBondContact O-N 3.47Å
64	P	95	Very high	77.1	Confident	44 Å²	44	90.4 Å²	90.4	29%	0.286	47%	0.468	S	S	.	.			trans	-54.9	142.7	173.1	-25.1	34.8	0	0	0	111.7	W135 D136 Y137 A250	P64-W135 HydrophobicContact CB-CE3 3.87Å; P64-W135 HydrophobicContact CB-CZ3 4.24Å; P64-D136 CarbonylContact C-O 3.55Å; P64-D136 WeakPolarHBondContact CA-O 3.48Å; P64-Y137 HydrophobicContact CB-CD1 3.91Å; P64-Y137 HydrophobicContact CB-CE1 4.06Å; P64-Y137 HydrophobicContact CG-CD1 3.82Å; P64-Y137 HydrophobicContact CG-CE1 4.18Å; P64-A250 HydrophobicContact CG-CB 3.68Å
65	K	95.3	Very high	79.6	Confident	128 Å²	128	86.1 Å²	86.1	56%	0.557	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.3	-177.9	-68.3	172.9	-171.4	173.6	0	110.4	D136	K65-D136 PolarHBondContact N-O 2.68Å; K65-D136 PolarHBondContact O-N 2.56Å
66	L	95.5	Very high	81.6	Confident	71 Å²	71	87.7 Å²	87.7	37%	0.372	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.4	170.3	-162.6	73.7	0	0	0	109.5	E131 H134 W135	L66-E131 HydrophobicContact CD1-CG 3.79Å; L66-E131 HydrophobicContact CD2-CG 4.48Å; L66-H134 CarbonylContact C-O 3.56Å; L66-H134 WeakPolarHBondContact CA-O 3.24Å; L66-H134 HydrophobicContact CD1-CB 3.88Å; L66-W135 HydrophobicContact CB-CH2 4.36Å; L66-W135 HydrophobicContact CB-CZ2 4.4Å; L66-W135 HydrophobicContact CB-CZ3 4.41Å; L66-W135 HydrophobicContact CD1-CD2 4.04Å; L66-W135 HydrophobicContact CD1-CG 4.18Å; L66-W135 HydrophobicContact CD1-CZ2 4.08Å
67	V	96.4	Very high	83.1	Confident	46 Å²	46	92.9 Å²	92.9	28%	0.279	49%	0.492	S	S	.	.			trans	-127.4	159	-178.4	-64.9	0	0	0	0	111	G69 H134 D136	V67-G69 WeakPolarHBondContact CG2-O 3.46Å; V67-G69 PolarHBondContact O-N 3.19Å; V67-H134 VanDerWaalsContact CG2-O 3.26Å; V67-H134 WeakPolarHBondContact CG2-O 3.33Å; V67-H134 PolarHBondContact N-O 3.19Å; V67-D136 HydrophobicContact CG1-CB 4.39Å
68	D	93.2	Very high	84.5	Confident	179 Å²	179	90 Å²	90	96%	0.957	49%	0.486	S	S	*	.	S	Bend	trans	-70.8	-11.7	-178.5	-65.4	-34	0	0	0	113.9
69	G	94.5	Very high	86.1	Confident	38 Å²	38	94.9 Å²	94.9	39%	0.392	49%	0.489	S	S	.	.	S	Bend	trans	-122.4	-168.4	-178.1	0	0	0	0	0	113	V67 G71 H134	V67-G69 WeakPolarHBondContact CG2-O 3.46Å; V67-G69 PolarHBondContact O-N 3.19Å; G69-G71 PolarHBondContact O-N 2.61Å; G69-H134 PolarHBondContact O-CD2 3.42Å
70	L	95.2	Very high	87.8	Confident	120 Å²	120	93 Å²	93	63%	0.628	50%	0.499	S	S	*	.			trans	-66	135.9	175.1	-66.1	178.4	0	0	0	110.9	E74 R133	L70-E74 HydrophobicContact CB-CB 4.21Å; L70-E74 HydrophobicContact CB-CG 4.36Å; L70-E74 HydrophobicContact CD2-CG 4.48Å; L70-R133 WeakPolarHBondContact CA-O 3.41Å; L70-R133 HydrophobicContact CD2-CB 4.21Å
71	G	96.3	Very high	89.2	Confident	5 Å²	5	93.2 Å²	93.2	5%	0.052	48%	0.483	C	S	.	.			trans	-61.8	155	177.2	0	0	0	0	0	112.7	G69 F73 E74 R133 W135 D136	G69-G71 PolarHBondContact O-N 2.61Å; G71-F73 PolarHBondContact O-N 3.27Å; G71-E74 WeakPolarHBondContact O-CB 3.5Å; G71-E74 PolarHBondContact O-N 3.24Å; G71-R133 PolarHBondContact N-O 2.86Å; G71-W135 WeakPolarHBondContact CA-O 3.1Å; G71-D136 WeakPolarHBondContact CA-OD1 3.38Å
72	N	95.6	Very high	90.3	Very high	40 Å²	40	93.7 Å²	93.7	21%	0.214	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.7	-172.5	65.8	-25.6	0	0	0	116	D136 Y137 F139	N72-D136 WeakPolarHBondContact CB-OD1 3.42Å; N72-D136 PolarHBondContact N-OD1 3.04Å; N72-D136 WeakPolarHBondContact OD1-CA 3.34Å; N72-Y137 PolarHBondContact ND2-O 2.93Å; N72-Y137 PolarHBondContact OD1-N 3.08Å; N72-F139 HydrophobicContact CB-CE2 4.04Å; N72-F139 HydrophobicContact CB-CZ 3.85Å; N72-F139 WeakPolarHBondContact ND2-CE2 3.38Å; N72-F139 WeakPolarHBondContact ND2-CZ 3.06Å
73	F	95.7	Very high	91	Very high	29 Å²	29	90.5 Å²	90.5	13%	0.127	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	2.7	177.2	-68.1	-69	0	0	0	114.5	G71 Y137 F139 P170 H172 M173 N243 P246	G71-F73 PolarHBondContact O-N 3.27Å; F73-Y137 HydrophobicContact CD2-CD2 4.23Å; F73-F139 HydrophobicContact CE1-CD1 4.14Å; F73-F139 HydrophobicContact CE1-CE1 4.06Å; F73-F139 AromaticContact CZ-CD1 3.75Å; F73-F139 HydrophobicContact CZ-CD1 3.75Å; F73-F139 AromaticContact CZ-CE1 3.96Å; F73-F139 HydrophobicContact CZ-CE1 3.96Å; F73-F139 HydrophobicContact CZ-CG 4.32Å; F73-P170 HydrophobicContact CD1-CB 4.42Å; F73-P170 HydrophobicContact CD1-CG 3.89Å; F73-P170 HydrophobicContact CE1-CB 4.41Å; F73-P170 HydrophobicContact CE1-CG 4.25Å; F73-H172 AromaticContact CE1-CE1 3.9Å; F73-M173 HydrophobicContact CD1-CE 4.27Å; F73-M173 HydrophobicContact CE1-CE 3.41Å; F73-M173 VanDerWaalsContact CE1-CE 3.41Å; F73-M173 HydrophobicContact CE2-CE 3.81Å; F73-M173 HydrophobicContact CZ-CE 3.14Å; F73-N243 VanDerWaalsContact CB-OD1 3.27Å; F73-N243 WeakPolarHBondContact CB-OD1 3.26Å; F73-P246 HydrophobicContact CB-CG 4.09Å; F73-P246 HydrophobicContact CD1-CG 4.27Å; F73-P246 HydrophobicContact CD2-CB 3.86Å; F73-P246 HydrophobicContact CD2-CG 3.9Å; F73-P246 HydrophobicContact CE2-CB 4.27Å; F73-P246 HydrophobicContact CE2-CG 4.43Å; F73-P246 HydrophobicContact CG-CB 4.28Å; F73-P246 HydrophobicContact CG-CG 3.82Å
74	E	95.5	Very high	91.4	Very high	18 Å²	18	89.2 Å²	89.2	8%	0.084	50%	0.495	C	S	.	.	S	Bend	trans	-66.4	139	174.7	-68.8	-58.6	122.8	0	0	111.1	L70 G71 K76 R128 R133 N243	L70-E74 HydrophobicContact CB-CB 4.21Å; L70-E74 HydrophobicContact CB-CG 4.36Å; L70-E74 HydrophobicContact CD2-CG 4.48Å; G71-E74 WeakPolarHBondContact O-CB 3.5Å; G71-E74 PolarHBondContact O-N 3.24Å; E74-K76 PolarHBondContact O-N 3.49Å; E74-R128 IonicContact OE1-CZ 2.76Å; E74-R128 IonicContact OE1-NH1 3.83Å; E74-R128 PolarHBondContact OE1-NH1 2.79Å; E74-R128 IonicContact OE1-NH2 2.7Å; E74-R128 PolarHBondContact OE1-NH2 3.17Å; E74-R128 IonicContact OE2-CZ 2.91Å; E74-R128 IonicContact OE2-NH1 3.65Å; E74-R128 IonicContact OE2-NH2 3.61Å; E74-R128 PolarHBondContact OE2-NH2 2.83Å; E74-R133 VanDerWaalsContact CG-O 3.3Å; E74-R133 WeakPolarHBondContact CG-O 3.41Å; E74-N243 PolarHBondContact OE1-ND2 2.87Å
75	P	90	Very high	91.5	Very high	63 Å²	63	87.4 Å²	87.4	41%	0.409	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-64.3	132.3	-179.8	27.3	-34.4	0	0	0	110.7	V78 T242	P75-V78 HydrophobicContact CB-CG2 4.04Å; P75-V78 HydrophobicContact CG-CG2 3.98Å; P75-T242 HydrophobicContact CG-CG2 3.65Å
76	K	83.2	Confident	91.6	Very high	171 Å²	171	82.4 Å²	82.4	74%	0.743	46%	0.463	S	S	*	.	S	Bend	trans	-88.7	138.1	171.9	-60.5	179.5	-177.6	179.6	0	109	E74	E74-K76 PolarHBondContact O-N 3.49Å
77	D	76.1	Confident	91.6	Very high	153 Å²	153	82.5 Å²	82.5	82%	0.818	46%	0.463	S	S	*	.	S	Bend	trans	56	59.4	170.7	-54.6	-41.4	0	0	0	115.2	K79	D77-K79 PolarHBondContact O-N 3.05Å
78	V	80	Confident	91.6	Very high	115 Å²	115	80.4 Å²	80.4	70%	0.697	45%	0.452	S	S	*	.			trans	-65.3	108.2	174.4	-175.8	0	0	0	0	109.7	P75	P75-V78 HydrophobicContact CB-CG2 4.04Å; P75-V78 HydrophobicContact CG-CG2 3.98Å
79	K	82.5	Confident	91.8	Very high	170 Å²	170	77 Å²	77	74%	0.739	43%	0.43	S	S	*	.			trans	-70.3	136.1	178.3	-66.8	-175.4	-178.8	179.3	0	110.3	D77 R81	D77-K79 PolarHBondContact O-N 3.05Å; K79-R81 PolarHBondContact O-N 3.37Å
80	P	84.3	Confident	91.9	Very high	132 Å²	132	77.3 Å²	77.3	86%	0.857	43%	0.429	S	S	*	.			trans	-62.8	135.5	172.8	26.7	-32.8	0	0	0	109.5
81	R	88.8	Confident	92	Very high	128 Å²	128	73 Å²	73	48%	0.483	41%	0.405	S	S	.	.			trans	-125.7	158.2	176.3	-65.3	-168.9	-64.4	-166.6	1	108.8	K79 E86 H121 R122	K79-R81 PolarHBondContact O-N 3.37Å; R81-E86 HydrophobicContact CB-CG 3.87Å; R81-E86 VanDerWaalsContact CB-OE1 3.28Å; R81-E86 WeakPolarHBondContact CB-OE1 3.48Å; R81-E86 IonicContact CZ-OE1 3.01Å; R81-E86 IonicContact NE-OE1 3.33Å; R81-E86 PolarHBondContact NE-OE1 3.2Å; R81-E86 IonicContact NH2-OE1 3.95Å; R81-E86 PolarHBondContact NH2-OE1 3.05Å; R81-H121 PolarHBondContact NH1-O 2.81Å; R81-H121 PolarHBondContact NH2-O 2.73Å; R81-H121 VanDerWaalsContact NH2-O 3.07Å; R81-R122 VanDerWaalsContact NH2-C 3.25Å
82	S	93.8	Very high	92	Very high	118 Å²	118	77.3 Å²	77.3	83%	0.825	44%	0.435	S	S	*	.			trans	-141.7	155.3	174.5	59.5	0	0	0	0	109.7
83	G	95.6	Very high	91.9	Very high	48 Å²	48	76.6 Å²	76.6	50%	0.495	43%	0.431	S	S	.	.	S	Bend	trans	147.5	176.7	-179.8	0	0	0	0	0	111.8	G85 E86	G83-G85 PolarHBondContact O-N 3.09Å; G83-E86 WeakPolarHBondContact O-CB 3.47Å; G83-E86 PolarHBondContact O-N 3.48Å
84	P	97.1	Very high	91.7	Very high	58 Å²	58	77.5 Å²	77.5	38%	0.377	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	124.9	175.9	-27.7	36.9	0	0	0	112.1	E86 E117 I118	P84-E86 PolarHBondContact O-N 3.29Å; P84-E86 VanDerWaalsContact O-N 3.11Å; P84-E117 WeakPolarHBondContact CB-O 3.42Å; P84-I118 HydrophobicContact CB-CG1 4.33Å
85	G	97	Very high	91.5	Very high	6 Å²	6	82 Å²	82	6%	0.062	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	13.8	176.5	0	0	0	0	0	116.3	G83 G88 E89 R122	G83-G85 PolarHBondContact O-N 3.09Å; G85-G88 PolarHBondContact O-N 2.82Å; G85-E89 VanDerWaalsContact CA-O 3.28Å; G85-E89 WeakPolarHBondContact CA-O 3.28Å; G85-R122 WeakPolarHBondContact O-CD 3.45Å; G85-R122 PolarHBondContact O-NH1 2.77Å; G85-R122 VanDerWaalsContact O-NH1 3.12Å
86	E	97	Very high	91.7	Very high	22 Å²	22	85.4 Å²	85.4	10%	0.103	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-61	147.6	177.2	-173.2	58.9	-155.8	0	0	110.6	R81 G83 P84 G88 E89 R122 S123	R81-E86 HydrophobicContact CB-CG 3.87Å; R81-E86 VanDerWaalsContact CB-OE1 3.28Å; R81-E86 WeakPolarHBondContact CB-OE1 3.48Å; R81-E86 IonicContact CZ-OE1 3.01Å; R81-E86 IonicContact NE-OE1 3.33Å; R81-E86 PolarHBondContact NE-OE1 3.2Å; R81-E86 IonicContact NH2-OE1 3.95Å; R81-E86 PolarHBondContact NH2-OE1 3.05Å; G83-E86 WeakPolarHBondContact O-CB 3.47Å; G83-E86 PolarHBondContact O-N 3.48Å; P84-E86 PolarHBondContact O-N 3.29Å; P84-E86 VanDerWaalsContact O-N 3.11Å; E86-G88 PolarHBondContact O-N 2.86Å; E86-E89 WeakPolarHBondContact O-CB 3.36Å; E86-E89 WeakPolarHBondContact O-CG 3.33Å; E86-E89 PolarHBondContact O-N 3.11Å; E86-R122 VanDerWaalsContact OE2-CA 3.23Å; E86-R122 WeakPolarHBondContact OE2-CA 2.99Å; E86-S123 VanDerWaalsContact CD-OG 3.28Å; E86-S123 WeakPolarHBondContact OE1-CB 3.09Å; E86-S123 PolarHBondContact OE1-N 2.98Å; E86-S123 PolarHBondContact OE1-OG 2.88Å; E86-S123 PolarHBondContact OE2-N 3.3Å; E86-S123 VanDerWaalsContact OE2-N 3.14Å
87	N	95.5	Very high	92.2	Very high	73 Å²	73	81 Å²	81	39%	0.39	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	61.2	16.4	-172.8	-165.7	52.3	0	0	0	114	E89 S123 R125	N87-E89 VanDerWaalsContact C-N 3.28Å; N87-S123 CarbonylContact C-O 3.56Å; N87-S123 WeakPolarHBondContact CA-O 3.23Å; N87-S123 VanDerWaalsContact CA-OG 3.24Å; N87-S123 WeakPolarHBondContact CA-OG 3.24Å; N87-S123 PolarHBondContact N-O 3.01Å; N87-S123 VanDerWaalsContact N-O 3.13Å; N87-S123 PolarHBondContact N-OG 2.92Å; N87-R125 WeakPolarHBondContact O-CB 3.39Å; N87-R125 PolarHBondContact O-N 3.2Å
88	G	96.4	Very high	92.9	Very high	3 Å²	3	78.6 Å²	78.6	3%	0.031	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	75.7	15.8	-177.6	0	0	0	0	0	113.6	G85 E86 S123 E273 Y274	G85-G88 PolarHBondContact O-N 2.82Å; E86-G88 PolarHBondContact O-N 2.86Å; G88-S123 PolarHBondContact N-O 3.1Å; G88-E273 CarbonylContact O-C 3.59Å; G88-E273 WeakPolarHBondContact O-CA 3.49Å; G88-Y274 PolarHBondContact O-N 2.86Å
89	E	97.7	Very high	93.6	Very high	106 Å²	106	79.4 Å²	79.4	50%	0.495	45%	0.445	S	S	.	.			trans	-65.6	156.1	175.2	-65.9	-62.5	147.3	0	0	111.6	G85 E86 N87 H91	G85-E89 VanDerWaalsContact CA-O 3.28Å; G85-E89 WeakPolarHBondContact CA-O 3.28Å; E86-E89 WeakPolarHBondContact O-CB 3.36Å; E86-E89 WeakPolarHBondContact O-CG 3.33Å; E86-E89 PolarHBondContact O-N 3.11Å; N87-E89 VanDerWaalsContact C-N 3.28Å; E89-H91 PolarHBondContact O-N 3.27Å
90	A	97.8	Very high	94.2	Very high	46 Å²	46	75.3 Å²	75.3	38%	0.38	43%	0.43	S	S	.	.			trans	-63.5	134.4	173.4	0	0	0	0	0	111	N271 E273	A90-N271 HydrophobicContact CB-CB 4.22Å; A90-E273 HydrophobicContact CB-CB 3.98Å; A90-E273 HydrophobicContact CB-CG 4.39Å
91	H	97	Very high	94.6	Very high	28 Å²	28	69.4 Å²	69.4	13%	0.13	39%	0.392	C	S	.	.			trans	-112	130.1	170.3	-176.3	47.7	0	0	0	111.1	E89 C114 E117 I118 N271	E89-H91 PolarHBondContact O-N 3.27Å; H91-C114 PolarHBondContact O-SG 3.4Å; H91-E117 IonicContact CD2-OE2 2.88Å; H91-E117 IonicContact CE1-OE2 3.06Å; H91-E117 IonicContact NE2-OE2 3.97Å; H91-E117 PolarHBondContact NE2-OE2 3.16Å; H91-I118 HydrophobicContact CB-CD1 3.89Å; H91-I118 HydrophobicContact CB-CG1 4.07Å; H91-N271 PolarHBondContact N-O 2.81Å; H91-N271 WeakPolarHBondContact O-CA 3.26Å; H91-N271 VanDerWaalsContact O-CB 3.28Å; H91-N271 WeakPolarHBondContact O-CB 3.37Å
92	S	94.6	Very high	94.8	Very high	96 Å²	96	67 Å²	67	67%	0.671	39%	0.388	S	S	*	.			trans	-111.3	124.3	176.6	-68.5	0	0	0	0	109.2
93	L	93.6	Very high	94.9	Very high	26 Å²	26	63.7 Å²	63.7	14%	0.136	37%	0.368	C	S	.	.			trans	-62.4	149.8	171.5	-67.9	178.6	0	0	0	110.9	K97 A113 C114 E117	L93-K97 HydrophobicContact CB-CB 4.33Å; L93-K97 HydrophobicContact CD1-CB 4.46Å; L93-A113 HydrophobicContact CD1-CB 3.78Å; L93-C114 HydrophobicContact CD1-CB 4.27Å; L93-C114 HydrophobicContact CD2-CB 4.39Å; L93-C114 HydrophobicContact CG-CB 4.08Å; L93-E117 HydrophobicContact CD2-CG 3.98Å; L93-E117 WeakPolarHBondContact CD2-OE1 3.38Å; L93-E117 WeakPolarHBondContact CD2-OE2 3.45Å
94	S	93.2	Very high	94.8	Very high	47 Å²	47	61.9 Å²	61.9	33%	0.329	35%	0.348	S	S	.	.			trans	-57.2	144.5	169.8	57	0	0	0	0	110.8	D96 K97	S94-D96 PolarHBondContact O-N 2.96Å; S94-K97 PolarHBondContact O-N 3.14Å
95	P	91.4	Very high	94.7	Very high	112 Å²	112	60.6 Å²	60.6	73%	0.727	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-50.2	-35	-179.5	-29.8	36	0	0	0	114.4	K97 K98	P95-K97 PolarHBondContact O-N 3.18Å; P95-K97 VanDerWaalsContact O-N 3.17Å; P95-K98 VanDerWaalsContact O-CB 3.24Å; P95-K98 WeakPolarHBondContact O-CB 3.5Å; P95-K98 PolarHBondContact O-N 3.1Å; P95-K98 VanDerWaalsContact O-N 3.08Å
96	D	93.7	Very high	94.5	Very high	135 Å²	135	67.3 Å²	67.3	72%	0.722	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.6	-179.4	-41	-35.9	0	0	0	113.2	S94 H99	S94-D96 PolarHBondContact O-N 2.96Å; D96-H99 PolarHBondContact O-CE1 3.04Å; D96-H99 VanDerWaalsContact O-CE1 3.24Å; D96-H99 PolarHBondContact O-ND1 3.19Å
97	K	93.5	Very high	94.3	Very high	78 Å²	78	71 Å²	71	34%	0.339	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-97	6.9	179.3	-64.8	-175.5	-177.5	-175.4	0	113.2	L93 S94 P95 H99 M100 S101 E117	L93-K97 HydrophobicContact CB-CB 4.33Å; L93-K97 HydrophobicContact CD1-CB 4.46Å; S94-K97 PolarHBondContact O-N 3.14Å; P95-K97 PolarHBondContact O-N 3.18Å; P95-K97 VanDerWaalsContact O-N 3.17Å; K97-H99 PolarHBondContact O-N 2.72Å; K97-M100 HydrophobicContact CB-SD 4.27Å; K97-M100 HydrophobicContact CD-SD 4.44Å; K97-M100 HydrophobicContact CG-SD 4.16Å; K97-M100 WeakPolarHBondContact O-CB 3.4Å; K97-M100 PolarHBondContact O-N 2.63Å; K97-S101 PolarHBondContact O-N 3.13Å; K97-E117 WeakPolarHBondContact CD-OE1 3.44Å; K97-E117 WeakPolarHBondContact CE-OE1 3.36Å; K97-E117 IonicContact NZ-OE1 3.77Å; K97-E117 PolarHBondContact NZ-OE1 2.78Å
98	K	91	Very high	94.2	Very high	104 Å²	104	68.7 Å²	68.7	45%	0.452	37%	0.372	S	S	.	.	H	α-helix	trans	-56.9	-37.2	-178	-176.7	54.3	179.2	146.9	0	112.7	P95 M100 S101 D102	P95-K98 VanDerWaalsContact O-CB 3.24Å; P95-K98 WeakPolarHBondContact O-CB 3.5Å; P95-K98 PolarHBondContact O-N 3.1Å; P95-K98 VanDerWaalsContact O-N 3.08Å; K98-M100 VanDerWaalsContact C-N 3.27Å; K98-M100 PolarHBondContact O-N 3.3Å; K98-S101 WeakPolarHBondContact O-CB 3.43Å; K98-S101 PolarHBondContact O-N 3.42Å; K98-S101 VanDerWaalsContact O-N 3.14Å; K98-D102 WeakPolarHBondContact CE-OD1 3.5Å; K98-D102 IonicContact NZ-OD1 3.08Å; K98-D102 PolarHBondContact NZ-OD1 2.83Å; K98-D102 IonicContact NZ-OD2 2.64Å; K98-D102 PolarHBondContact O-N 2.79Å
99	H	94	Very high	94.2	Very high	131 Å²	131	68.6 Å²	68.6	61%	0.606	37%	0.371	S	S	*	.	H	α-helix	trans	-59.7	-34	175.5	68.9	-81.2	0	0	0	113.4	D96 K97 A103	D96-H99 PolarHBondContact O-CE1 3.04Å; D96-H99 VanDerWaalsContact O-CE1 3.24Å; D96-H99 PolarHBondContact O-ND1 3.19Å; K97-H99 PolarHBondContact O-N 2.72Å; H99-A103 VanDerWaalsContact O-CB 3.29Å; H99-A103 WeakPolarHBondContact O-CB 3.09Å; H99-A103 PolarHBondContact O-N 2.86Å
100	M	95.2	Very high	94.1	Very high	85 Å²	85	63.6 Å²	63.6	42%	0.419	35%	0.348	S	S	.	.	H	α-helix	trans	-72.6	-38.4	176.2	-55.2	177.5	65.4	0	0	111.6	K97 K98 S104 A113	K97-M100 HydrophobicContact CB-SD 4.27Å; K97-M100 HydrophobicContact CD-SD 4.44Å; K97-M100 HydrophobicContact CG-SD 4.16Å; K97-M100 WeakPolarHBondContact O-CB 3.4Å; K97-M100 PolarHBondContact O-N 2.63Å; K98-M100 VanDerWaalsContact C-N 3.27Å; K98-M100 PolarHBondContact O-N 3.3Å; M100-S104 WeakPolarHBondContact O-CB 3.48Å; M100-S104 PolarHBondContact O-N 2.86Å; M100-S104 PolarHBondContact O-OG 3.46Å; M100-A113 HydrophobicContact CB-CB 3.75Å
101	S	92.8	Very high	94	Very high	8 Å²	8	61.7 Å²	61.7	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-55.9	-55.3	171.7	-169.1	0	0	0	0	110.1	K97 K98 A103 S104 E105 N111	K97-S101 PolarHBondContact O-N 3.13Å; K98-S101 WeakPolarHBondContact O-CB 3.43Å; K98-S101 PolarHBondContact O-N 3.42Å; K98-S101 VanDerWaalsContact O-N 3.14Å; S101-A103 PolarHBondContact O-N 3.05Å; S101-S104 PolarHBondContact O-N 3.01Å; S101-S104 PolarHBondContact O-OG 2.77Å; S101-S104 VanDerWaalsContact O-OG 3.06Å; S101-E105 WeakPolarHBondContact O-CB 3.41Å; S101-E105 WeakPolarHBondContact O-CG 3.28Å; S101-E105 PolarHBondContact O-N 3.5Å; S101-E105 PolarHBondContact OG-OE1 3.3Å; S101-N111 WeakPolarHBondContact CA-OD1 3.42Å; S101-N111 PolarHBondContact OG-ND2 3.47Å
102	D	93.3	Very high	94	Very high	77 Å²	77	61 Å²	61	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-64.6	-41.1	-175.2	-63.1	-23.2	0	0	0	111.7	K98 M106	K98-D102 WeakPolarHBondContact CE-OD1 3.5Å; K98-D102 IonicContact NZ-OD1 3.08Å; K98-D102 PolarHBondContact NZ-OD1 2.83Å; K98-D102 IonicContact NZ-OD2 2.64Å; K98-D102 PolarHBondContact O-N 2.79Å; D102-M106 WeakPolarHBondContact O-CB 3.41Å; D102-M106 PolarHBondContact O-N 3.23Å
103	A	95.1	Very high	94.1	Very high	48 Å²	48	56.9 Å²	56.9	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-47.3	176	0	0	0	0	0	112.1	H99 S101 M106 E107	H99-A103 VanDerWaalsContact O-CB 3.29Å; H99-A103 WeakPolarHBondContact O-CB 3.09Å; H99-A103 PolarHBondContact O-N 2.86Å; S101-A103 PolarHBondContact O-N 3.05Å; A103-M106 PolarHBondContact O-N 3.16Å; A103-E107 WeakPolarHBondContact O-CB 3.24Å; A103-E107 PolarHBondContact O-N 3.38Å
104	S	94.7	Very high	94.3	Very high	10 Å²	10	55.7 Å²	55.7	7%	0.07	29%	0.294	C	S	.	.	H	α-helix	trans	-70.2	-37.2	-179.9	64.4	0	0	0	0	112.8	M100 S101 M106 E107 Y108 M110 I112 A113	M100-S104 WeakPolarHBondContact O-CB 3.48Å; M100-S104 PolarHBondContact O-N 2.86Å; M100-S104 PolarHBondContact O-OG 3.46Å; S101-S104 PolarHBondContact O-N 3.01Å; S101-S104 PolarHBondContact O-OG 2.77Å; S101-S104 VanDerWaalsContact O-OG 3.06Å; S104-M106 VanDerWaalsContact C-N 3.33Å; S104-M106 PolarHBondContact O-N 3.17Å; S104-E107 PolarHBondContact O-N 3.14Å; S104-Y108 WeakPolarHBondContact O-CB 3.27Å; S104-Y108 WeakPolarHBondContact O-CD2 3.32Å; S104-Y108 PolarHBondContact O-N 2.77Å; S104-M110 CarbonylContact C-O 3.59Å; S104-M110 VanDerWaalsContact C-O 3.28Å; S104-M110 VanDerWaalsContact O-O 3.09Å; S104-I112 PolarHBondContact OG-N 3.05Å; S104-A113 PolarHBondContact OG-N 3.49Å
105	E	93.8	Very high	94.5	Very high	31 Å²	31	53.4 Å²	53.4	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-41	172.9	-75.2	178.1	-115.7	0	0	111.2	S101 E107 G109 M110 N111 K270 F377	S101-E105 WeakPolarHBondContact O-CB 3.41Å; S101-E105 WeakPolarHBondContact O-CG 3.28Å; S101-E105 PolarHBondContact O-N 3.5Å; S101-E105 PolarHBondContact OG-OE1 3.3Å; E105-E107 VanDerWaalsContact C-N 3.34Å; E105-G109 WeakPolarHBondContact O-CA 3.48Å; E105-G109 PolarHBondContact O-N 3.03Å; E105-M110 PolarHBondContact N-O 3.44Å; E105-N111 HydrophobicContact CG-CB 3.91Å; E105-K270 WeakPolarHBondContact OE2-CE 3.28Å; E105-F377 WeakPolarHBondContact O-CE1 3.31Å; E105-F377 VanDerWaalsContact O-CZ 3.29Å; E105-F377 WeakPolarHBondContact O-CZ 3.43Å
106	M	92.8	Very high	94.8	Very high	147 Å²	147	52.7 Å²	52.7	72%	0.724	27%	0.268	S	S	*	.	H	α-helix	trans	-69	-29.5	175.7	-177	178.6	64.6	0	0	113.3	D102 A103 S104 F377	D102-M106 WeakPolarHBondContact O-CB 3.41Å; D102-M106 PolarHBondContact O-N 3.23Å; A103-M106 PolarHBondContact O-N 3.16Å; S104-M106 VanDerWaalsContact C-N 3.33Å; S104-M106 PolarHBondContact O-N 3.17Å; M106-F377 VanDerWaalsContact O-CZ 3.25Å; M106-F377 WeakPolarHBondContact O-CZ 3.42Å
107	E	93.3	Very high	95	Very high	101 Å²	101	49.1 Å²	49.1	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-87.2	-41	-178.4	-176.1	174.3	-174.6	0	0	112.8	A103 S104 E105 K186 P379	A103-E107 WeakPolarHBondContact O-CB 3.24Å; A103-E107 PolarHBondContact O-N 3.38Å; S104-E107 PolarHBondContact O-N 3.14Å; E105-E107 VanDerWaalsContact C-N 3.34Å; E107-K186 IonicContact OE1-NZ 3.79Å; E107-K186 PolarHBondContact OE1-NZ 3.27Å; E107-P379 WeakPolarHBondContact O-CB 3.43Å
108	Y	94.2	Very high	95.2	Very high	23 Å²	23	45.6 Å²	45.6	9%	0.09	23%	0.232	C	C	.	.	H	α-helix	trans	-112	-8.6	-172.4	-63.5	-87.9	0	0	0	113.2	S104 M110 I112 N152 K186 R375	S104-Y108 WeakPolarHBondContact O-CB 3.27Å; S104-Y108 WeakPolarHBondContact O-CD2 3.32Å; S104-Y108 PolarHBondContact O-N 2.77Å; Y108-M110 PolarHBondContact O-N 2.79Å; Y108-I112 HydrophobicContact CD1-CG1 4.22Å; Y108-I112 HydrophobicContact CD2-CB 4.41Å; Y108-I112 HydrophobicContact CD2-CG1 3.5Å; Y108-I112 HydrophobicContact CE2-CG1 4.07Å; Y108-I112 HydrophobicContact CG-CD1 4.26Å; Y108-I112 HydrophobicContact CG-CG1 3.6Å; Y108-N152 WeakPolarHBondContact CE1-O 3.42Å; Y108-K186 HydrophobicContact CE1-CD 3.93Å; Y108-K186 VanDerWaalsContact CE1-CE 3.41Å; Y108-K186 WeakPolarHBondContact OH-CD 3.22Å; Y108-K186 WeakPolarHBondContact OH-CE 3.49Å; Y108-K186 PolarHBondContact OH-NZ 3.34Å; Y108-K186 VanDerWaalsContact OH-NZ 3.17Å; Y108-R375 PolarHBondContact O-NH1 3.38Å
109	G	94.8	Very high	95.5	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.021	23%	0.231	C	C	.	.	S	Bend	trans	70.4	10.2	-170.8	0	0	0	0	0	113.9	E105 R375 G376 F377	E105-G109 WeakPolarHBondContact O-CA 3.48Å; E105-G109 PolarHBondContact O-N 3.03Å; G109-R375 WeakPolarHBondContact O-CA 3.25Å; G109-G376 PolarHBondContact O-N 2.73Å; G109-F377 VanDerWaalsContact CA-CE1 3.49Å
110	M	95.6	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-156	157.5	177	65.3	174.7	110.8	0	0	111.1	S104 E105 Y108 I112 V157 H237 H269 F272 V373 R375	S104-M110 CarbonylContact C-O 3.59Å; S104-M110 VanDerWaalsContact C-O 3.28Å; S104-M110 VanDerWaalsContact O-O 3.09Å; E105-M110 PolarHBondContact N-O 3.44Å; Y108-M110 PolarHBondContact O-N 2.79Å; M110-I112 HydrophobicContact CG-CD1 3.67Å; M110-I112 HydrophobicContact CG-CG1 4.45Å; M110-I112 PolarHBondContact O-N 3.29Å; M110-I112 HydrophobicContact SD-CD1 3.96Å; M110-V157 HydrophobicContact CE-CG1 4.5Å; M110-V157 HydrophobicContact SD-CG1 4.13Å; M110-V157 HydrophobicContact SD-CG2 3.96Å; M110-H237 HydrophobicContact CE-CB 3.93Å; M110-H269 CarbonylContact C-O 3.58Å; M110-H269 WeakPolarHBondContact CA-O 3.39Å; M110-H269 HydrophobicContact CB-CB 3.78Å; M110-F272 HydrophobicContact SD-CZ 4.45Å; M110-V373 HydrophobicContact CB-CG1 4.16Å; M110-V373 HydrophobicContact CE-CG1 4.47Å; M110-V373 HydrophobicContact SD-CB 4.37Å; M110-V373 HydrophobicContact SD-CG1 3.85Å; M110-R375 HydrophobicContact CE-CG 4.1Å; M110-R375 VanDerWaalsContact CE-NH2 3.31Å
111	N	96.5	Very high	95.6	Very high	7 Å²	7	39 Å²	39	4%	0.037	21%	0.209	C	C	.	.			trans	-81.4	79.2	-172.9	-171.4	-6.2	0	0	0	112.6	S101 E105 A113 C114 S115 H269 K270 F272	S101-N111 WeakPolarHBondContact CA-OD1 3.42Å; S101-N111 PolarHBondContact OG-ND2 3.47Å; E105-N111 HydrophobicContact CG-CB 3.91Å; N111-A113 PolarHBondContact O-N 3.49Å; N111-A113 PolarHBondContact OD1-N 3.15Å; N111-C114 HydrophobicContact CB-CB 4Å; N111-C114 VanDerWaalsContact ND2-CB 3.28Å; N111-C114 WeakPolarHBondContact ND2-CB 3.39Å; N111-C114 WeakPolarHBondContact O-CB 3.31Å; N111-C114 PolarHBondContact O-N 3.22Å; N111-C114 VanDerWaalsContact O-N 3.11Å; N111-C114 PolarHBondContact OD1-N 3.45Å; N111-S115 PolarHBondContact O-N 3.21Å; N111-S115 VanDerWaalsContact O-N 3.12Å; N111-H269 WeakPolarHBondContact CB-O 3.15Å; N111-H269 PolarHBondContact N-O 2.77Å; N111-K270 VanDerWaalsContact CB-O 3.32Å; N111-K270 WeakPolarHBondContact CB-O 3.34Å; N111-K270 PolarHBondContact ND2-O 2.84Å; N111-F272 WeakPolarHBondContact O-CE2 3.33Å
112	I	97	Very high	95.8	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-35	178.9	-56.2	-54.7	0	0	0	111.5	S104 Y108 M110 C114 S115 D116 V157	S104-I112 PolarHBondContact OG-N 3.05Å; Y108-I112 HydrophobicContact CD1-CG1 4.22Å; Y108-I112 HydrophobicContact CD2-CB 4.41Å; Y108-I112 HydrophobicContact CD2-CG1 3.5Å; Y108-I112 HydrophobicContact CE2-CG1 4.07Å; Y108-I112 HydrophobicContact CG-CD1 4.26Å; Y108-I112 HydrophobicContact CG-CG1 3.6Å; M110-I112 HydrophobicContact CG-CD1 3.67Å; M110-I112 HydrophobicContact CG-CG1 4.45Å; M110-I112 PolarHBondContact O-N 3.29Å; M110-I112 HydrophobicContact SD-CD1 3.96Å; I112-C114 VanDerWaalsContact C-N 3.29Å; I112-C114 PolarHBondContact O-N 3.38Å; I112-S115 CarbonylContact O-C 3.33Å; I112-S115 WeakPolarHBondContact O-CA 3.3Å; I112-S115 WeakPolarHBondContact O-CB 3.28Å; I112-S115 PolarHBondContact O-N 2.82Å; I112-D116 PolarHBondContact O-N 2.8Å; I112-V157 HydrophobicContact CD1-CB 4.46Å; I112-V157 HydrophobicContact CD1-CG2 3.61Å
113	A	97.1	Very high	95.8	Very high	10 Å²	10	36.2 Å²	36.2	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-37.3	176.8	0	0	0	0	0	112.6	L93 M100 S104 N111	L93-A113 HydrophobicContact CD1-CB 3.78Å; M100-A113 HydrophobicContact CB-CB 3.75Å; S104-A113 PolarHBondContact OG-N 3.49Å; N111-A113 PolarHBondContact O-N 3.49Å; N111-A113 PolarHBondContact OD1-N 3.15Å
114	C	97.4	Very high	95.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.3	-44.6	171.7	177.4	0	0	0	0	111.2	H91 L93 N111 I112 D116 E117 I118 F272	H91-C114 PolarHBondContact O-SG 3.4Å; L93-C114 HydrophobicContact CD1-CB 4.27Å; L93-C114 HydrophobicContact CD2-CB 4.39Å; L93-C114 HydrophobicContact CG-CB 4.08Å; N111-C114 HydrophobicContact CB-CB 4Å; N111-C114 VanDerWaalsContact ND2-CB 3.28Å; N111-C114 WeakPolarHBondContact ND2-CB 3.39Å; N111-C114 WeakPolarHBondContact O-CB 3.31Å; N111-C114 PolarHBondContact O-N 3.22Å; N111-C114 VanDerWaalsContact O-N 3.11Å; N111-C114 PolarHBondContact OD1-N 3.45Å; I112-C114 VanDerWaalsContact C-N 3.29Å; I112-C114 PolarHBondContact O-N 3.38Å; C114-D116 VanDerWaalsContact C-N 3.26Å; C114-D116 PolarHBondContact O-N 3.21Å; C114-E117 PolarHBondContact O-N 2.59Å; C114-I118 WeakPolarHBondContact O-CG1 3.4Å; C114-F272 HydrophobicContact CB-CD2 4.27Å
115	S	97.8	Very high	95.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-41.1	175.7	-149.4	0	0	0	0	112.2	N111 I112 E117 I118 V157 R160 F272	N111-S115 PolarHBondContact O-N 3.21Å; N111-S115 VanDerWaalsContact O-N 3.12Å; I112-S115 CarbonylContact O-C 3.33Å; I112-S115 WeakPolarHBondContact O-CA 3.3Å; I112-S115 WeakPolarHBondContact O-CB 3.28Å; I112-S115 PolarHBondContact O-N 2.82Å; S115-E117 PolarHBondContact O-N 3.12Å; S115-I118 PolarHBondContact O-N 3.05Å; S115-V157 WeakPolarHBondContact OG-CG2 3.26Å; S115-R160 PolarHBondContact O-NH2 3.11Å; S115-R160 PolarHBondContact OG-NE 2.7Å; S115-R160 PolarHBondContact OG-NH2 2.76Å; S115-R160 VanDerWaalsContact OG-NH2 3.08Å; S115-F272 VanDerWaalsContact CB-CZ 3.41Å; S115-F272 VanDerWaalsContact OG-CE1 3.24Å; S115-F272 WeakPolarHBondContact OG-CE1 3.42Å; S115-F272 WeakPolarHBondContact OG-CZ 3.4Å
116	D	97.6	Very high	95.8	Very high	97 Å²	97	40.8 Å²	40.8	52%	0.519	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-25.5	-177.5	-66.8	-17.8	0	0	0	113.2	I112 C114 S156	I112-D116 PolarHBondContact O-N 2.8Å; C114-D116 VanDerWaalsContact C-N 3.26Å; C114-D116 PolarHBondContact O-N 3.21Å; D116-S156 WeakPolarHBondContact OD1-CB 3.06Å; D116-S156 PolarHBondContact OD1-OG 2.97Å
117	E	97.4	Very high	95.9	Very high	60 Å²	60	34.6 Å²	34.6	28%	0.28	17%	0.174	S	C	.	.	H	α-helix	trans	-85	-14.7	174.8	-66.8	-168.5	178.4	0	0	113.8	P84 H91 L93 K97 C114 S115	P84-E117 WeakPolarHBondContact CB-O 3.42Å; H91-E117 IonicContact CD2-OE2 2.88Å; H91-E117 IonicContact CE1-OE2 3.06Å; H91-E117 IonicContact NE2-OE2 3.97Å; H91-E117 PolarHBondContact NE2-OE2 3.16Å; L93-E117 HydrophobicContact CD2-CG 3.98Å; L93-E117 WeakPolarHBondContact CD2-OE1 3.38Å; L93-E117 WeakPolarHBondContact CD2-OE2 3.45Å; K97-E117 WeakPolarHBondContact CD-OE1 3.44Å; K97-E117 WeakPolarHBondContact CE-OE1 3.36Å; K97-E117 IonicContact NZ-OE1 3.77Å; K97-E117 PolarHBondContact NZ-OE1 2.78Å; C114-E117 PolarHBondContact O-N 2.59Å; S115-E117 PolarHBondContact O-N 3.12Å
118	I	98.1	Very high	96	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	-91.5	125.7	-179.4	-62.1	172.7	0	0	0	109.3	P84 H91 C114 S115 M120 R122 R160 F272	P84-I118 HydrophobicContact CB-CG1 4.33Å; H91-I118 HydrophobicContact CB-CD1 3.89Å; H91-I118 HydrophobicContact CB-CG1 4.07Å; C114-I118 WeakPolarHBondContact O-CG1 3.4Å; S115-I118 PolarHBondContact O-N 3.05Å; I118-M120 PolarHBondContact O-N 2.82Å; I118-R122 HydrophobicContact CG2-CB 4.12Å; I118-R122 VanDerWaalsContact CG2-CD 3.47Å; I118-R122 HydrophobicContact CG2-CG 3.9Å; I118-R160 PolarHBondContact O-NH1 3.02Å; I118-R160 PolarHBondContact O-NH2 3.39Å; I118-F272 HydrophobicContact CD1-CB 3.44Å; I118-F272 VanDerWaalsContact CD1-CB 3.44Å; I118-F272 HydrophobicContact CD1-CG 3.97Å
119	S	97.3	Very high	96	Very high	63 Å²	63	30.8 Å²	30.8	44%	0.441	16%	0.156	S	C	.	.			trans	-50	129.6	177.5	176.3	0	0	0	0	112.1	H121 R122 R160	S119-H121 PolarHBondContact O-N 2.85Å; S119-H121 PolarHBondContact OG-N 3.5Å; S119-R122 WeakPolarHBondContact O-CB 3.47Å; S119-R122 PolarHBondContact O-N 2.8Å; S119-R160 PolarHBondContact O-NH1 3.47Å
120	M	96	Very high	96	Very high	44 Å²	44	36 Å²	36	22%	0.217	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.7	174.3	-59.3	-57.3	176.9	0	0	112.7	I118 S156 M159 R160 H163	I118-M120 PolarHBondContact O-N 2.82Å; M120-S156 VanDerWaalsContact CE-CA 3.49Å; M120-S156 VanDerWaalsContact SD-O 3.35Å; M120-M159 HydrophobicContact SD-CB 4.29Å; M120-R160 HydrophobicContact SD-CB 4.18Å; M120-H163 HydrophobicContact CB-CB 4.35Å
121	H	95.6	Very high	96	Very high	75 Å²	75	38.5 Å²	38.5	35%	0.347	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	15.9	-178.1	-59.8	-77.1	0	0	0	113.5	R81 S119 H163 D167	R81-H121 PolarHBondContact NH1-O 2.81Å; R81-H121 PolarHBondContact NH2-O 2.73Å; R81-H121 VanDerWaalsContact NH2-O 3.07Å; S119-H121 PolarHBondContact O-N 2.85Å; S119-H121 PolarHBondContact OG-N 3.5Å; H121-H163 AromaticContact CE1-CE1 3.49Å; H121-H163 PolarHBondContact CE1-CE1 3.38Å; H121-H163 VanDerWaalsContact CE1-CE1 3.49Å; H121-H163 AromaticContact CE1-CG 3.77Å; H121-H163 AromaticContact CE1-ND1 3.05Å; H121-H163 PolarHBondContact CE1-ND1 2.78Å; H121-H163 AromaticContact ND1-ND1 3.81Å; H121-H163 AromaticContact NE2-CE1 3.66Å; H121-H163 AromaticContact NE2-ND1 3.66Å; H121-D167 IonicContact CE1-OD2 3.84Å; H121-D167 IonicContact CG-OD2 3.52Å; H121-D167 IonicContact ND1-OD1 3.95Å; H121-D167 IonicContact ND1-OD2 3.73Å; H121-D167 PolarHBondContact ND1-OD2 2.88Å
122	R	95.9	Very high	96	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.			trans	-51.5	153.2	-179.9	66.5	154.3	172.3	-171.9	4.5	111.7	R81 G85 E86 I118 S119 R168 E239 F272	R81-R122 VanDerWaalsContact NH2-C 3.25Å; G85-R122 WeakPolarHBondContact O-CD 3.45Å; G85-R122 PolarHBondContact O-NH1 2.77Å; G85-R122 VanDerWaalsContact O-NH1 3.12Å; E86-R122 VanDerWaalsContact OE2-CA 3.23Å; E86-R122 WeakPolarHBondContact OE2-CA 2.99Å; I118-R122 HydrophobicContact CG2-CB 4.12Å; I118-R122 VanDerWaalsContact CG2-CD 3.47Å; I118-R122 HydrophobicContact CG2-CG 3.9Å; S119-R122 WeakPolarHBondContact O-CB 3.47Å; S119-R122 PolarHBondContact O-N 2.8Å; R122-R168 PolarHBondContact O-NH2 3.24Å; R122-E239 IonicContact CZ-OE1 2.86Å; R122-E239 VanDerWaalsContact CZ-OE1 3.32Å; R122-E239 IonicContact CZ-OE2 3.45Å; R122-E239 IonicContact NE-OE1 2.77Å; R122-E239 PolarHBondContact NE-OE1 2.93Å; R122-E239 IonicContact NE-OE2 3.53Å; R122-E239 PolarHBondContact NE-OE2 2.78Å; R122-E239 IonicContact NH2-OE1 2.8Å; R122-E239 PolarHBondContact NH2-OE1 2.86Å; R122-E239 IonicContact NH2-OE2 3.25Å; R122-F272 PolarHBondContact NH1-O 3.4Å; R122-F272 PolarHBondContact NH2-O 3.24Å
123	S	94.9	Very high	96	Very high	25 Å²	25	41.1 Å²	41.1	18%	0.175	20%	0.201	C	C	.	.			trans	-79.9	159.8	165.6	54.5	0	0	0	0	109.4	E86 N87 G88	E86-S123 VanDerWaalsContact CD-OG 3.28Å; E86-S123 WeakPolarHBondContact OE1-CB 3.09Å; E86-S123 PolarHBondContact OE1-N 2.98Å; E86-S123 PolarHBondContact OE1-OG 2.88Å; E86-S123 PolarHBondContact OE2-N 3.3Å; E86-S123 VanDerWaalsContact OE2-N 3.14Å; N87-S123 CarbonylContact C-O 3.56Å; N87-S123 WeakPolarHBondContact CA-O 3.23Å; N87-S123 VanDerWaalsContact CA-OG 3.24Å; N87-S123 WeakPolarHBondContact CA-OG 3.24Å; N87-S123 PolarHBondContact N-O 3.01Å; N87-S123 VanDerWaalsContact N-O 3.13Å; N87-S123 PolarHBondContact N-OG 2.92Å; G88-S123 PolarHBondContact N-O 3.1Å
124	V	95.4	Very high	96	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.042	21%	0.207	C	C	.	.			trans	-118.8	151.2	165.3	-63.1	0	0	0	0	108	D126 E239 N241 Y274	V124-D126 PolarHBondContact O-N 3.05Å; V124-E239 HydrophobicContact CG1-CB 4.28Å; V124-N241 HydrophobicContact CG2-CB 4.47Å; V124-Y274 HydrophobicContact CB-CD2 3.88Å; V124-Y274 HydrophobicContact CB-CE2 4.15Å; V124-Y274 HydrophobicContact CB-CG 4.14Å; V124-Y274 HydrophobicContact CG1-CD2 3.71Å; V124-Y274 HydrophobicContact CG1-CE2 4.19Å; V124-Y274 HydrophobicContact CG1-CG 4.28Å; V124-Y274 HydrophobicContact CG2-CE2 4.29Å
125	R	92.6	Very high	96	Very high	142 Å²	142	43.9 Å²	43.9	54%	0.536	21%	0.211	S	C	.	.			trans	-57.9	135.7	174.1	-179.6	176.7	177.1	175.6	-0.1	110.5	N87 T127 N241	N87-R125 WeakPolarHBondContact O-CB 3.39Å; N87-R125 PolarHBondContact O-N 3.2Å; R125-T127 HydrophobicContact CB-CG2 4.5Å; R125-T127 HydrophobicContact CG-CG2 4.31Å; R125-T127 PolarHBondContact O-N 3.32Å; R125-T127 VanDerWaalsContact O-N 3.15Å; R125-N241 PolarHBondContact O-ND2 3.09Å; R125-N241 PolarHBondContact O-OD1 2.88Å
126	D	94.7	Very high	96	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	22%	0.223	C	C	.	.			trans	-71.3	106.2	168.3	-173.9	6.1	0	0	0	109.6	V124 R128 R133	V124-D126 PolarHBondContact O-N 3.05Å; D126-R128 WeakPolarHBondContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CG 3.21Å; D126-R128 IonicContact OD1-CZ 3.48Å; D126-R128 PolarHBondContact OD1-N 3.31Å; D126-R128 IonicContact OD1-NE 3.72Å; D126-R128 PolarHBondContact OD1-NE 3.5Å; D126-R128 IonicContact OD1-NH2 3.81Å; D126-R128 IonicContact OD2-CZ 3.01Å; D126-R128 IonicContact OD2-NE 2.99Å; D126-R128 IonicContact OD2-NH2 3.63Å; D126-R128 PolarHBondContact OD2-NH2 2.74Å; D126-R133 IonicContact OD2-CZ 2.89Å; D126-R133 IonicContact OD2-NE 3.59Å; D126-R133 PolarHBondContact OD2-NE 2.86Å; D126-R133 IonicContact OD2-NH2 3.56Å; D126-R133 PolarHBondContact OD2-NH2 2.6Å
127	T	95.2	Very high	96	Very high	17 Å²	17	42.4 Å²	42.4	10%	0.104	20%	0.202	C	C	.	.			trans	-102.1	5.7	-177.9	50.9	0	0	0	0	112.8	R125 N241 D265 Y274 P276 R369	R125-T127 HydrophobicContact CB-CG2 4.5Å; R125-T127 HydrophobicContact CG-CG2 4.31Å; R125-T127 PolarHBondContact O-N 3.32Å; R125-T127 VanDerWaalsContact O-N 3.15Å; T127-N241 PolarHBondContact OG1-ND2 3.46Å; T127-D265 WeakPolarHBondContact CB-OD2 3.29Å; T127-D265 PolarHBondContact OG1-OD2 3.29Å; T127-Y274 HydrophobicContact CG2-CD1 4.09Å; T127-Y274 HydrophobicContact CG2-CE1 3.69Å; T127-P276 HydrophobicContact CG2-CB 4.38Å; T127-R369 VanDerWaalsContact O-CZ 3.31Å; T127-R369 PolarHBondContact O-NH2 3.03Å
128	R	95	Very high	95.9	Very high	18 Å²	18	39.7 Å²	39.7	7%	0.068	19%	0.189	C	C	.	.	S	Bend	trans	-67.7	162.2	176	-60.4	173.3	-62	157.3	0.6	110.2	E74 D126 C132 T242 C367 R369	E74-R128 IonicContact OE1-CZ 2.76Å; E74-R128 IonicContact OE1-NH1 3.83Å; E74-R128 PolarHBondContact OE1-NH1 2.79Å; E74-R128 IonicContact OE1-NH2 2.7Å; E74-R128 PolarHBondContact OE1-NH2 3.17Å; E74-R128 IonicContact OE2-CZ 2.91Å; E74-R128 IonicContact OE2-NH1 3.65Å; E74-R128 IonicContact OE2-NH2 3.61Å; E74-R128 PolarHBondContact OE2-NH2 2.83Å; D126-R128 WeakPolarHBondContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CG 3.21Å; D126-R128 IonicContact OD1-CZ 3.48Å; D126-R128 PolarHBondContact OD1-N 3.31Å; D126-R128 IonicContact OD1-NE 3.72Å; D126-R128 PolarHBondContact OD1-NE 3.5Å; D126-R128 IonicContact OD1-NH2 3.81Å; D126-R128 IonicContact OD2-CZ 3.01Å; D126-R128 IonicContact OD2-NE 2.99Å; D126-R128 IonicContact OD2-NH2 3.63Å; D126-R128 PolarHBondContact OD2-NH2 2.74Å; R128-C132 HydrophobicContact CB-CB 3.83Å; R128-T242 PolarHBondContact NE-O 2.92Å; R128-C367 WeakPolarHBondContact CD-O 3.21Å; R128-R369 HydrophobicContact CG-CB 4.43Å; R128-R369 HydrophobicContact CG-CG 3.68Å
129	L	94.8	Very high	95.6	Very high	26 Å²	26	40.7 Å²	40.7	14%	0.136	19%	0.193	C	C	.	.			trans	-63	146.7	167.5	-61.8	174.1	0	0	0	109.3	E131 C132 P366	L129-E131 PolarHBondContact O-N 2.85Å; L129-C132 WeakPolarHBondContact O-CB 3.14Å; L129-C132 PolarHBondContact O-N 2.94Å; L129-P366 HydrophobicContact CD1-CB 4.32Å
130	E	94.2	Very high	95.3	Very high	112 Å²	112	39.3 Å²	39.3	52%	0.523	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-56.6	-37.8	-179.9	-174.1	58.2	-144.9	0	0	112.2	C132 R133 H134	E130-C132 PolarHBondContact O-N 2.68Å; E130-C132 VanDerWaalsContact O-N 3.14Å; E130-R133 PolarHBondContact O-N 3.18Å; E130-R133 VanDerWaalsContact O-N 3.16Å; E130-R133 WeakPolarHBondContact OE1-CD 3.1Å; E130-R133 IonicContact OE1-NH1 3.34Å; E130-R133 PolarHBondContact OE1-NH1 3.03Å; E130-R133 IonicContact OE2-CZ 2.68Å; E130-R133 IonicContact OE2-NE 2.83Å; E130-R133 IonicContact OE2-NH1 2.6Å; E130-R133 PolarHBondContact OE2-NH1 3.38Å; E130-H134 PolarHBondContact O-CE1 3.42Å; E130-H134 PolarHBondContact O-ND1 3.11Å; E130-H134 IonicContact OE1-CE1 2.67Å
131	E	95.1	Very high	95.3	Very high	53 Å²	53	37.5 Å²	37.5	25%	0.248	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-56.7	-29	175.8	-171.3	172.6	47	0	0	112.5	L66 L129 R133 H134 W135 H309 N310 S311	L66-E131 HydrophobicContact CD1-CG 3.79Å; L66-E131 HydrophobicContact CD2-CG 4.48Å; L129-E131 PolarHBondContact O-N 2.85Å; E131-R133 PolarHBondContact O-N 3.34Å; E131-H134 PolarHBondContact O-N 2.98Å; E131-H134 VanDerWaalsContact O-N 3.11Å; E131-W135 PolarHBondContact O-NE1 3.13Å; E131-H309 IonicContact OE2-CE1 3.56Å; E131-H309 IonicContact OE2-CG 2.99Å; E131-H309 IonicContact OE2-ND1 3.33Å; E131-H309 PolarHBondContact OE2-ND1 3.25Å; E131-N310 PolarHBondContact OE1-N 3.44Å; E131-S311 WeakPolarHBondContact OE1-CB 3.42Å; E131-S311 PolarHBondContact OE1-N 2.83Å; E131-S311 PolarHBondContact OE1-OG 2.76Å; E131-S311 VanDerWaalsContact OE1-OG 3.05Å
132	C	97	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-62.9	-23.8	179.8	-69.2	0	0	0	0	114.3	R128 L129 E130 H134 C367	R128-C132 HydrophobicContact CB-CB 3.83Å; L129-C132 WeakPolarHBondContact O-CB 3.14Å; L129-C132 PolarHBondContact O-N 2.94Å; E130-C132 PolarHBondContact O-N 2.68Å; E130-C132 VanDerWaalsContact O-N 3.14Å; C132-H134 PolarHBondContact O-N 3.2Å; C132-C367 WeakPolarHBondContact CA-SG 3.46Å; C132-C367 HydrophobicContact CB-CB 3.62Å; C132-C367 WeakPolarHBondContact CB-SG 3.5Å; C132-C367 WeakPolarHBondContact SG-CA 3.21Å; C132-C367 WeakPolarHBondContact SG-CB 3.31Å; C132-C367 CovalentContact SG-SG 2.05Å; C132-C367 PolarHBondContact SG-SG 2.67Å
133	R	96.2	Very high	95.5	Very high	75 Å²	75	38.8 Å²	38.8	28%	0.283	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-74.4	-11.2	178.6	-63.8	178.4	175.2	165	0.5	113.5	L70 G71 E74 D126 E130 E131	L70-R133 WeakPolarHBondContact CA-O 3.41Å; L70-R133 HydrophobicContact CD2-CB 4.21Å; G71-R133 PolarHBondContact N-O 2.86Å; E74-R133 VanDerWaalsContact CG-O 3.3Å; E74-R133 WeakPolarHBondContact CG-O 3.41Å; D126-R133 IonicContact OD2-CZ 2.89Å; D126-R133 IonicContact OD2-NE 3.59Å; D126-R133 PolarHBondContact OD2-NE 2.86Å; D126-R133 IonicContact OD2-NH2 3.56Å; D126-R133 PolarHBondContact OD2-NH2 2.6Å; E130-R133 PolarHBondContact O-N 3.18Å; E130-R133 VanDerWaalsContact O-N 3.16Å; E130-R133 WeakPolarHBondContact OE1-CD 3.1Å; E130-R133 IonicContact OE1-NH1 3.34Å; E130-R133 PolarHBondContact OE1-NH1 3.03Å; E130-R133 IonicContact OE2-CZ 2.68Å; E130-R133 IonicContact OE2-NE 2.83Å; E130-R133 IonicContact OE2-NH1 2.6Å; E130-R133 PolarHBondContact OE2-NH1 3.38Å; E131-R133 PolarHBondContact O-N 3.34Å
134	H	97.7	Very high	95.7	Very high	47 Å²	47	37.6 Å²	37.6	22%	0.218	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-112.6	14	-169.9	-56	92.9	0	0	0	111.9	L66 V67 G69 E130 E131 C132	L66-H134 CarbonylContact C-O 3.56Å; L66-H134 WeakPolarHBondContact CA-O 3.24Å; L66-H134 HydrophobicContact CD1-CB 3.88Å; V67-H134 VanDerWaalsContact CG2-O 3.26Å; V67-H134 WeakPolarHBondContact CG2-O 3.33Å; V67-H134 PolarHBondContact N-O 3.19Å; G69-H134 PolarHBondContact O-CD2 3.42Å; E130-H134 PolarHBondContact O-CE1 3.42Å; E130-H134 PolarHBondContact O-ND1 3.11Å; E130-H134 IonicContact OE1-CE1 2.67Å; E131-H134 PolarHBondContact O-N 2.98Å; E131-H134 VanDerWaalsContact O-N 3.11Å; C132-H134 PolarHBondContact O-N 3.2Å
135	W	98	Very high	95.9	Very high	20 Å²	20	37.3 Å²	37.3	8%	0.076	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.7	176.4	-73.1	86.8	0	0	0	111.6	P64 L66 G71 E131 Y137 H309 S311 E312	P64-W135 HydrophobicContact CB-CE3 3.87Å; P64-W135 HydrophobicContact CB-CZ3 4.24Å; L66-W135 HydrophobicContact CB-CH2 4.36Å; L66-W135 HydrophobicContact CB-CZ2 4.4Å; L66-W135 HydrophobicContact CB-CZ3 4.41Å; L66-W135 HydrophobicContact CD1-CD2 4.04Å; L66-W135 HydrophobicContact CD1-CG 4.18Å; L66-W135 HydrophobicContact CD1-CZ2 4.08Å; G71-W135 WeakPolarHBondContact CA-O 3.1Å; E131-W135 PolarHBondContact O-NE1 3.13Å; W135-Y137 HydrophobicContact CB-CD2 4.42Å; W135-Y137 HydrophobicContact CB-CE1 4.35Å; W135-Y137 HydrophobicContact CB-CE2 3.65Å; W135-Y137 WeakPolarHBondContact CB-OH 3.31Å; W135-H309 HydrophobicContact CZ2-CB 3.97Å; W135-S311 PolarHBondContact NE1-OG 3.45Å; W135-E312 HydrophobicContact CH2-CG 4.15Å; W135-E312 HydrophobicContact CZ2-CG 4.25Å
136	D	97.6	Very high	96.2	Very high	50 Å²	50	30.5 Å²	30.5	27%	0.267	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133.3	159.9	-84.3	-6.3	0	0	0	109.7	P64 K65 V67 G71 N72	P64-D136 CarbonylContact C-O 3.55Å; P64-D136 WeakPolarHBondContact CA-O 3.48Å; K65-D136 PolarHBondContact N-O 2.68Å; K65-D136 PolarHBondContact O-N 2.56Å; V67-D136 HydrophobicContact CG1-CB 4.39Å; G71-D136 WeakPolarHBondContact CA-OD1 3.38Å; N72-D136 WeakPolarHBondContact CB-OD1 3.42Å; N72-D136 PolarHBondContact N-OD1 3.04Å; N72-D136 WeakPolarHBondContact OD1-CA 3.34Å
137	Y	97.2	Very high	96.4	Very high	17 Å²	17	28.8 Å²	28.8	7%	0.067	13%	0.13	C	C	.	.			trans	-112.6	154.8	172.9	-60.7	-83.5	0	0	0	111.1	P64 N72 F73 W135 F139 P246 P247 A250	P64-Y137 HydrophobicContact CB-CD1 3.91Å; P64-Y137 HydrophobicContact CB-CE1 4.06Å; P64-Y137 HydrophobicContact CG-CD1 3.82Å; P64-Y137 HydrophobicContact CG-CE1 4.18Å; N72-Y137 PolarHBondContact ND2-O 2.93Å; N72-Y137 PolarHBondContact OD1-N 3.08Å; F73-Y137 HydrophobicContact CD2-CD2 4.23Å; W135-Y137 HydrophobicContact CB-CD2 4.42Å; W135-Y137 HydrophobicContact CB-CE1 4.35Å; W135-Y137 HydrophobicContact CB-CE2 3.65Å; W135-Y137 WeakPolarHBondContact CB-OH 3.31Å; Y137-F139 PolarHBondContact O-N 2.88Å; Y137-P246 HydrophobicContact CD2-CB 3.94Å; Y137-P246 HydrophobicContact CG-CB 3.95Å; Y137-P247 HydrophobicContact CE1-CB 3.81Å; Y137-P247 HydrophobicContact CE2-CB 4.39Å; Y137-P247 WeakPolarHBondContact OH-CB 3.41Å; Y137-A250 HydrophobicContact CD1-CB 3.91Å; Y137-A250 HydrophobicContact CE1-CB 4.43Å
138	P	94.9	Very high	96.5	Very high	2 Å²	2	28 Å²	28	1%	0.013	13%	0.125	C	C	.	.			trans	-53.4	141	175	-26.9	36.1	0	0	0	112.3	E62 L141 Y253	E62-P138 HydrophobicContact CB-CB 4.07Å; E62-P138 HydrophobicContact CB-CG 3.96Å; E62-P138 WeakPolarHBondContact O-CG 3.28Å; P138-L141 HydrophobicContact CB-CD2 4.22Å; P138-L141 HydrophobicContact CB-CG 4.24Å; P138-L141 HydrophobicContact CG-CD2 4.37Å; P138-L141 WeakPolarHBondContact O-CD1 3.16Å; P138-L141 VanDerWaalsContact O-CG 3.26Å; P138-L141 WeakPolarHBondContact O-CG 3.39Å; P138-Y253 HydrophobicContact CB-CD1 4.46Å; P138-Y253 HydrophobicContact CB-CE1 4.17Å; P138-Y253 HydrophobicContact CG-CD1 4.23Å; P138-Y253 HydrophobicContact CG-CE1 4.2Å
139	F	91.6	Very high	96.7	Very high	25 Å²	25	27.9 Å²	27.9	11%	0.11	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-24	178.3	-87.7	-80	0	0	0	113.2	N72 F73 Y137 L141	N72-F139 HydrophobicContact CB-CE2 4.04Å; N72-F139 HydrophobicContact CB-CZ 3.85Å; N72-F139 WeakPolarHBondContact ND2-CE2 3.38Å; N72-F139 WeakPolarHBondContact ND2-CZ 3.06Å; F73-F139 HydrophobicContact CE1-CD1 4.14Å; F73-F139 HydrophobicContact CE1-CE1 4.06Å; F73-F139 AromaticContact CZ-CD1 3.75Å; F73-F139 HydrophobicContact CZ-CD1 3.75Å; F73-F139 AromaticContact CZ-CE1 3.96Å; F73-F139 HydrophobicContact CZ-CE1 3.96Å; F73-F139 HydrophobicContact CZ-CG 4.32Å; Y137-F139 PolarHBondContact O-N 2.88Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-L141 PolarHBondContact O-N 2.83Å
140	D	92.4	Very high	96.8	Very high	35 Å²	35	26.9 Å²	26.9	19%	0.187	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	27.8	-177.7	69.6	-38.3	0	0	0	113.1	A41 R45 Y253	A41-D140 HydrophobicContact CB-CB 4.17Å; R45-D140 PolarHBondContact NH1-O 2.84Å; D140-Y253 VanDerWaalsContact CG-OH 3.25Å; D140-Y253 PolarHBondContact OD1-OH 3.23Å; D140-Y253 PolarHBondContact OD2-OH 2.9Å
141	L	96.2	Very high	96.9	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.026	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-53.3	150.9	172.5	-71.6	171.2	0	0	0	111.8	R45 P138 F139 M173 P246 L249 A250 Y253	R45-L141 PolarHBondContact NH1-O 2.71Å; P138-L141 HydrophobicContact CB-CD2 4.22Å; P138-L141 HydrophobicContact CB-CG 4.24Å; P138-L141 HydrophobicContact CG-CD2 4.37Å; P138-L141 WeakPolarHBondContact O-CD1 3.16Å; P138-L141 VanDerWaalsContact O-CG 3.26Å; P138-L141 WeakPolarHBondContact O-CG 3.39Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-L141 PolarHBondContact O-N 2.83Å; L141-M173 HydrophobicContact CB-CE 4.06Å; L141-M173 HydrophobicContact CB-SD 4.12Å; L141-M173 HydrophobicContact CD1-CE 3.84Å; L141-M173 HydrophobicContact CD1-SD 4.14Å; L141-M173 HydrophobicContact CG-CE 4.39Å; L141-P246 HydrophobicContact CD1-CB 3.87Å; L141-L249 HydrophobicContact CB-CB 4.4Å; L141-L249 HydrophobicContact CB-CD1 4.24Å; L141-L249 HydrophobicContact CD1-CB 4.33Å; L141-L249 HydrophobicContact CD2-CB 4.18Å; L141-A250 HydrophobicContact CD2-CB 4.31Å; L141-Y253 HydrophobicContact CD2-CD1 4.28Å; L141-Y253 HydrophobicContact CD2-CD2 4.45Å; L141-Y253 HydrophobicContact CD2-CG 3.89Å
142	P	96.6	Very high	96.9	Very high	9 Å²	9	22.2 Å²	22.2	6%	0.058	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-65.4	148.4	-172.5	26	-34.9	0	0	0	113.3	T144 E229 V230 L249	P142-T144 PolarHBondContact O-OG1 3.01Å; P142-E229 HydrophobicContact CB-CB 3.93Å; P142-V230 HydrophobicContact CB-CG2 3.84Å; P142-V230 HydrophobicContact CG-CB 4.42Å; P142-V230 HydrophobicContact CG-CG2 3.51Å; P142-L249 HydrophobicContact CG-CB 4.41Å; P142-L249 HydrophobicContact CG-CD2 4.47Å
143	R	98.3	Very high	96.8	Very high	94 Å²	94	22.5 Å²	22.5	36%	0.355	10%	0.102	S	C	.	.	P	Polyproline II helix	trans	-70.2	136.2	174.8	-64.4	-172.1	74.4	-173.2	4.5	110.6	M173 H175 E229 V230	R143-M173 CarbonylContact C-O 3.55Å; R143-M173 WeakPolarHBondContact CA-O 3.43Å; R143-H175 HydrophobicContact CB-CB 4.13Å; R143-H175 PolarHBondContact NH2-ND1 3.14Å; R143-E229 PolarHBondContact N-OE1 3.03Å; R143-E229 PolarHBondContact O-N 3.01Å; R143-V230 PolarHBondContact O-N 2.98Å; R143-V230 VanDerWaalsContact O-N 3.09Å
144	T	98.9	Very high	96.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.5	-166.2	-61.1	0	0	0	0	112.3	P142 V146 M173 H175 V230 V232 L245 L249	P142-T144 PolarHBondContact O-OG1 3.01Å; T144-V146 HydrophobicContact CG2-CG2 4.23Å; T144-M173 PolarHBondContact N-O 3.03Å; T144-H175 VanDerWaalsContact O-CB 3.24Å; T144-H175 WeakPolarHBondContact O-CB 3.17Å; T144-H175 PolarHBondContact O-N 3.01Å; T144-V230 CarbonylContact C-O 3.57Å; T144-V230 VanDerWaalsContact CA-O 3.3Å; T144-V230 WeakPolarHBondContact CA-O 3.49Å; T144-V230 HydrophobicContact CG2-CG1 4.45Å; T144-V232 HydrophobicContact CG2-CB 4.18Å; T144-V232 HydrophobicContact CG2-CG2 3.37Å; T144-L245 HydrophobicContact CG2-CD1 4.18Å; T144-L249 WeakPolarHBondContact OG1-CD1 3.38Å; T144-L249 WeakPolarHBondContact OG1-CD2 3.32Å
145	S	98.9	Very high	96.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.1	165.3	-58.9	0	0	0	0	109.3	E176 G228 V230 I231 V232	S145-E176 WeakPolarHBondContact CA-O 3.36Å; S145-E176 VanDerWaalsContact OG-CG 3.26Å; S145-E176 WeakPolarHBondContact OG-CG 3.31Å; S145-E176 PolarHBondContact OG-OE1 2.82Å; S145-G228 VanDerWaalsContact OG-CA 3.28Å; S145-G228 WeakPolarHBondContact OG-CA 3.26Å; S145-G228 PolarHBondContact OG-N 3.35Å; S145-V230 PolarHBondContact N-O 2.9Å; S145-I231 CarbonylContact O-C 3.52Å; S145-I231 VanDerWaalsContact O-CA 3.31Å; S145-I231 WeakPolarHBondContact O-CA 3.48Å; S145-V232 PolarHBondContact O-N 2.51Å
146	V	99	Very high	96.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.3	175.3	-177.7	0	0	0	0	109	T144 I148 V165 L174 E176 I177 I178 V232 L234	T144-V146 HydrophobicContact CG2-CG2 4.23Å; V146-I148 HydrophobicContact CG1-CD1 4.5Å; V146-I148 HydrophobicContact CG1-CG1 4.29Å; V146-V165 HydrophobicContact CB-CG1 4.27Å; V146-V165 HydrophobicContact CG1-CG1 4.3Å; V146-V165 HydrophobicContact CG1-CG2 4.3Å; V146-V165 HydrophobicContact CG2-CG1 3.83Å; V146-L174 HydrophobicContact CG2-CD1 3.77Å; V146-E176 PolarHBondContact N-O 2.97Å; V146-I177 HydrophobicContact CB-CG1 4.33Å; V146-I177 CarbonylContact O-C 3.44Å; V146-I177 VanDerWaalsContact O-CA 3.31Å; V146-I177 WeakPolarHBondContact O-CA 3.48Å; V146-I178 PolarHBondContact O-N 2.89Å; V146-V232 CarbonylContact C-O 3.57Å; V146-V232 WeakPolarHBondContact CA-O 3.21Å; V146-V232 HydrophobicContact CG2-CB 4.33Å; V146-L234 HydrophobicContact CG1-CD1 3.77Å; V146-L234 HydrophobicContact CG1-CG 4.12Å
147	I	98.9	Very high	96.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.1	-177.8	-59.2	160.8	0	0	0	108.4	V149 I178 V180 G222 A223 A226 I231 V232 F233 L234	I147-V149 HydrophobicContact CG2-CG2 4.26Å; I147-I178 WeakPolarHBondContact CA-O 3.49Å; I147-V180 HydrophobicContact CG2-CG2 4.08Å; I147-G222 VanDerWaalsContact CD1-C 3.43Å; I147-A223 HydrophobicContact CD1-CB 4.28Å; I147-A226 HydrophobicContact CD1-CB 4.36Å; I147-I231 HydrophobicContact CD1-CB 3.87Å; I147-I231 HydrophobicContact CD1-CD1 4.39Å; I147-I231 HydrophobicContact CD1-CG2 3.8Å; I147-V232 PolarHBondContact N-O 3.03Å; I147-F233 HydrophobicContact CB-CD1 3.84Å; I147-F233 HydrophobicContact CB-CE1 3.96Å; I147-F233 HydrophobicContact CD1-CD1 4.25Å; I147-F233 HydrophobicContact CD1-CE1 3.66Å; I147-F233 HydrophobicContact CD1-CZ 3.93Å; I147-F233 HydrophobicContact CG1-CE1 4.45Å; I147-F233 HydrophobicContact CG2-CD1 3.88Å; I147-F233 HydrophobicContact CG2-CE1 3.78Å; I147-L234 PolarHBondContact O-N 3.34Å
148	I	98.9	Very high	96.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.4	177.1	-60.8	164.5	0	0	0	107.9	V146 L158 T161 V162 I177 I178 L179 V180 L234 A236	V146-I148 HydrophobicContact CG1-CD1 4.5Å; V146-I148 HydrophobicContact CG1-CG1 4.29Å; I148-L158 HydrophobicContact CG2-CD1 3.86Å; I148-T161 HydrophobicContact CD1-CG2 3.74Å; I148-T161 HydrophobicContact CG1-CG2 4.37Å; I148-V162 HydrophobicContact CD1-CG2 4.12Å; I148-I177 HydrophobicContact CD1-CG2 3.95Å; I148-I178 PolarHBondContact N-O 3.35Å; I148-L179 HydrophobicContact CB-CD2 3.75Å; I148-L179 HydrophobicContact CD1-CD2 3.87Å; I148-L179 HydrophobicContact CG1-CD2 4.34Å; I148-L179 HydrophobicContact CG2-CD2 4.22Å; I148-L179 CarbonylContact O-C 3.51Å; I148-L179 WeakPolarHBondContact O-CA 3.17Å; I148-V180 PolarHBondContact O-N 3.07Å; I148-L234 WeakPolarHBondContact CA-O 3.49Å; I148-L234 HydrophobicContact CG1-CB 4.2Å; I148-A236 HydrophobicContact CG2-CB 3.74Å
149	V	98.3	Very high	97.1	Very high	15 Å²	15	13.8 Å²	13.8	9%	0.091	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.9	176.1	174.3	0	0	0	0	109.3	I147 V180 T218 R219	I147-V149 HydrophobicContact CG2-CG2 4.26Å; V149-V180 WeakPolarHBondContact CA-O 3.14Å; V149-V180 HydrophobicContact CG2-CB 4.25Å; V149-T218 HydrophobicContact CB-CG2 4.28Å; V149-T218 HydrophobicContact CG1-CG2 3.5Å; V149-T218 VanDerWaalsContact CG1-CG2 3.5Å; V149-T218 HydrophobicContact CG2-CG2 3.88Å; V149-R219 HydrophobicContact CB-CG 4.31Å; V149-R219 HydrophobicContact CG2-CB 4.34Å; V149-R219 HydrophobicContact CG2-CG 3.53Å
150	F	97.4	Very high	97.4	Very high	6 Å²	6	12.7 Å²	12.7	3%	0.026	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153	179.7	69.9	-80.6	0	0	0	112.3	E153 L158 L179 V180 D181 D182 L189 L193 A236	F150-E153 HydrophobicContact CB-CB 4.03Å; F150-E153 HydrophobicContact CD2-CB 4.41Å; F150-L158 HydrophobicContact CB-CD1 4.25Å; F150-L158 HydrophobicContact CD1-CD1 4.17Å; F150-L158 HydrophobicContact CD1-CD2 4.31Å; F150-L158 HydrophobicContact CD2-CD2 3.99Å; F150-L158 HydrophobicContact CE1-CD2 4.38Å; F150-L158 HydrophobicContact CE2-CD2 4.05Å; F150-L158 HydrophobicContact CG-CD1 4.18Å; F150-L158 HydrophobicContact CG-CD2 4.11Å; F150-L158 HydrophobicContact CZ-CD2 4.23Å; F150-L179 HydrophobicContact CD1-CB 4.48Å; F150-L179 HydrophobicContact CE1-CB 3.84Å; F150-V180 PolarHBondContact N-O 3.4Å; F150-V180 VanDerWaalsContact N-O 3.07Å; F150-D181 HydrophobicContact CE1-CB 3.82Å; F150-D181 HydrophobicContact CE2-CB 3.92Å; F150-D181 HydrophobicContact CZ-CB 3.41Å; F150-D181 VanDerWaalsContact CZ-CB 3.41Å; F150-D182 PolarHBondContact O-N 3.23Å; F150-L189 HydrophobicContact CD2-CD1 4.16Å; F150-L189 HydrophobicContact CE2-CB 4.38Å; F150-L189 HydrophobicContact CE2-CD1 4.07Å; F150-L189 HydrophobicContact CE2-CD2 4.21Å; F150-L189 HydrophobicContact CE2-CG 4.46Å; F150-L193 HydrophobicContact CE1-CD2 4.43Å; F150-L193 HydrophobicContact CE2-CD2 4.06Å; F150-L193 HydrophobicContact CZ-CD2 3.54Å; F150-A236 HydrophobicContact CB-CB 3.71Å
151	H	95.4	Very high	97.7	Very high	35 Å²	35	11 Å²	11	16%	0.162	5%	0.05	C	C	.	.	S	Bend	trans	-143.1	119.8	169.4	174.3	73.2	0	0	0	107.7	E153 D182 F183 S184 R212	H151-E153 PolarHBondContact O-N 3.24Å; H151-E153 VanDerWaalsContact O-N 3.13Å; H151-D182 HydrophobicContact CB-CB 4.22Å; H151-D182 PolarHBondContact ND1-O 3.32Å; H151-F183 PolarHBondContact CE1-O 2.96Å; H151-F183 VanDerWaalsContact CE1-O 3.26Å; H151-F183 PolarHBondContact ND1-O 3.16Å; H151-S184 WeakPolarHBondContact CA-OG 3.47Å; H151-R212 VanDerWaalsContact CD2-CZ 3.42Å; H151-R212 PolarHBondContact CD2-NH1 3.13Å; H151-R212 VanDerWaalsContact CD2-NH1 3.28Å; H151-R212 PolarHBondContact NE2-NH1 3.18Å; H151-R212 VanDerWaalsContact NE2-NH1 3.12Å
152	N	95.1	Very high	97.9	Very high	32 Å²	32	10.8 Å²	10.8	17%	0.171	5%	0.049	C	C	.	.	S	Bend	trans	52.6	35.1	177.6	-75.6	-9.8	0	0	0	114.3	Y108 S184 D185 K186	Y108-N152 WeakPolarHBondContact CE1-O 3.42Å; N152-S184 PolarHBondContact N-OG 3.49Å; N152-S184 VanDerWaalsContact OD1-CA 3.24Å; N152-S184 WeakPolarHBondContact OD1-CA 3.16Å; N152-S184 VanDerWaalsContact OD1-CB 3.31Å; N152-S184 WeakPolarHBondContact OD1-CB 3.37Å; N152-D185 PolarHBondContact ND2-OD1 2.86Å; N152-D185 PolarHBondContact OD1-N 3.09Å; N152-D185 PolarHBondContact OD1-OD1 3.23Å; N152-K186 HydrophobicContact CB-CD 3.97Å; N152-K186 HydrophobicContact CB-CG 4.21Å; N152-K186 VanDerWaalsContact O-CE 3.29Å; N152-K186 WeakPolarHBondContact O-CE 3.33Å; N152-K186 PolarHBondContact OD1-N 2.97Å
153	E	96.5	Very high	98	Very high	6 Å²	6	10.5 Å²	10.5	3%	0.028	5%	0.047	C	C	.	.			trans	-73.9	154.1	-177.5	-170	62.9	-76.1	0	0	112.8	F150 H151 F155 L158 A236 H237 R375	F150-E153 HydrophobicContact CB-CB 4.03Å; F150-E153 HydrophobicContact CD2-CB 4.41Å; H151-E153 PolarHBondContact O-N 3.24Å; H151-E153 VanDerWaalsContact O-N 3.13Å; E153-F155 PolarHBondContact O-N 3.37Å; E153-L158 HydrophobicContact CG-CB 4.04Å; E153-A236 HydrophobicContact CB-CB 4.47Å; E153-A236 HydrophobicContact CG-CB 3.81Å; E153-H237 IonicContact OE2-CE1 4Å; E153-H237 IonicContact OE2-CG 2.65Å; E153-H237 IonicContact OE2-ND1 2.79Å; E153-H237 PolarHBondContact OE2-ND1 3.28Å; E153-R375 IonicContact OE1-CZ 3.15Å; E153-R375 IonicContact OE1-NH1 3.53Å; E153-R375 PolarHBondContact OE1-NH1 3.46Å; E153-R375 IonicContact OE1-NH2 3.03Å; E153-R375 PolarHBondContact OE1-NH2 2.95Å; E153-R375 IonicContact OE2-CZ 3.99Å; E153-R375 IonicContact OE2-NH2 2.64Å; E153-R375 PolarHBondContact OE2-NH2 2.96Å
154	G	95.9	Very high	98	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.			trans	-63	126.5	169.7	0	0	0	0	0	111.5	S156 V157 L158	G154-S156 PolarHBondContact O-N 2.72Å; G154-V157 PolarHBondContact O-N 3.34Å; G154-L158 PolarHBondContact O-N 2.82Å
155	F	98	Very high	98	Very high	23 Å²	23	6.1 Å²	6.1	10%	0.101	3%	0.031	C	C	.	.	H	α-helix	trans	-58.7	-46.2	-173	-174.9	-85.3	0	0	0	112.8	E153 V157 L158 M159 N188 L189 Q192 L193 Y196	E153-F155 PolarHBondContact O-N 3.37Å; F155-V157 PolarHBondContact O-N 2.83Å; F155-L158 PolarHBondContact O-N 3.28Å; F155-M159 HydrophobicContact CD1-CG 4.04Å; F155-M159 HydrophobicContact CE1-CG 3.67Å; F155-M159 HydrophobicContact CE2-CG 4.48Å; F155-M159 HydrophobicContact CZ-CG 3.92Å; F155-M159 WeakPolarHBondContact O-CB 3.28Å; F155-M159 WeakPolarHBondContact O-CG 3.3Å; F155-M159 PolarHBondContact O-N 2.63Å; F155-N188 HydrophobicContact CD2-CB 4.43Å; F155-N188 WeakPolarHBondContact CD2-O 3.48Å; F155-L189 HydrophobicContact CD2-CD2 4.38Å; F155-Q192 HydrophobicContact CE2-CG 3.92Å; F155-Q192 HydrophobicContact CZ-CG 4.13Å; F155-L193 HydrophobicContact CE2-CB 4.28Å; F155-L193 HydrophobicContact CE2-CD1 4.37Å; F155-Y196 HydrophobicContact CE1-CD2 4.17Å; F155-Y196 HydrophobicContact CE1-CE2 4.34Å; F155-Y196 HydrophobicContact CE1-CG 4.5Å; F155-Y196 AromaticContact CZ-CD2 3.89Å; F155-Y196 HydrophobicContact CZ-CD2 3.89Å; F155-Y196 HydrophobicContact CZ-CE2 4.5Å; F155-Y196 AromaticContact CZ-CG 3.9Å; F155-Y196 HydrophobicContact CZ-CG 3.9Å
156	S	98.1	Very high	98	Very high	1 Å²	1	8 Å²	8	1%	0.007	4%	0.04	C	C	.	.	H	α-helix	trans	-64.3	-39.8	179.9	47.4	0	0	0	0	112.8	D116 M120 G154 R160	D116-S156 WeakPolarHBondContact OD1-CB 3.06Å; D116-S156 PolarHBondContact OD1-OG 2.97Å; M120-S156 VanDerWaalsContact CE-CA 3.49Å; M120-S156 VanDerWaalsContact SD-O 3.35Å; G154-S156 PolarHBondContact O-N 2.72Å; S156-R160 WeakPolarHBondContact O-CB 3.46Å; S156-R160 PolarHBondContact O-N 2.7Å
157	V	98	Very high	97.8	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.018	6%	0.06	C	C	.	.	H	α-helix	trans	-67.9	-45.8	178.5	177.3	0	0	0	0	111	M110 I112 S115 G154 F155 M159 R160 T161 A236 H237 F272	M110-V157 HydrophobicContact CE-CG1 4.5Å; M110-V157 HydrophobicContact SD-CG1 4.13Å; M110-V157 HydrophobicContact SD-CG2 3.96Å; I112-V157 HydrophobicContact CD1-CB 4.46Å; I112-V157 HydrophobicContact CD1-CG2 3.61Å; S115-V157 WeakPolarHBondContact OG-CG2 3.26Å; G154-V157 PolarHBondContact O-N 3.34Å; F155-V157 PolarHBondContact O-N 2.83Å; V157-M159 PolarHBondContact O-N 3.19Å; V157-R160 WeakPolarHBondContact O-CB 3.42Å; V157-R160 PolarHBondContact O-N 3.31Å; V157-T161 PolarHBondContact O-N 3.3Å; V157-T161 PolarHBondContact O-OG1 2.85Å; V157-A236 CarbonylContact C-O 3.56Å; V157-H237 VanDerWaalsContact CG1-CA 3.41Å; V157-H237 HydrophobicContact CG1-CB 3.27Å; V157-F272 HydrophobicContact CG2-CE1 3.88Å; V157-F272 HydrophobicContact CG2-CZ 3.69Å
158	L	98.6	Very high	97.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.5	-48.2	174.8	176.6	64.6	0	0	0	111.5	I148 F150 E153 G154 F155 T161 V162 L179 L189 L193 A236	I148-L158 HydrophobicContact CG2-CD1 3.86Å; F150-L158 HydrophobicContact CB-CD1 4.25Å; F150-L158 HydrophobicContact CD1-CD1 4.17Å; F150-L158 HydrophobicContact CD1-CD2 4.31Å; F150-L158 HydrophobicContact CD2-CD2 3.99Å; F150-L158 HydrophobicContact CE1-CD2 4.38Å; F150-L158 HydrophobicContact CE2-CD2 4.05Å; F150-L158 HydrophobicContact CG-CD1 4.18Å; F150-L158 HydrophobicContact CG-CD2 4.11Å; F150-L158 HydrophobicContact CZ-CD2 4.23Å; E153-L158 HydrophobicContact CG-CB 4.04Å; G154-L158 PolarHBondContact O-N 2.82Å; F155-L158 PolarHBondContact O-N 3.28Å; L158-T161 WeakPolarHBondContact O-CB 3.44Å; L158-T161 PolarHBondContact O-N 3.33Å; L158-V162 PolarHBondContact O-N 2.57Å; L158-L179 HydrophobicContact CD1-CD2 4.46Å; L158-L189 HydrophobicContact CD2-CD2 3.98Å; L158-L193 HydrophobicContact CD2-CD1 4.33Å; L158-L193 HydrophobicContact CD2-CD2 4.32Å; L158-A236 WeakPolarHBondContact CA-O 3.38Å; L158-A236 HydrophobicContact CD1-CB 3.75Å; L158-A236 PolarHBondContact N-O 3.47Å
159	M	98.5	Very high	97.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-69.7	-33.2	179.5	-68.4	-59.2	94.7	0	0	112.6	M120 F155 V157 T161 V162 H163 L179 L193 Y196	M120-M159 HydrophobicContact SD-CB 4.29Å; F155-M159 HydrophobicContact CD1-CG 4.04Å; F155-M159 HydrophobicContact CE1-CG 3.67Å; F155-M159 HydrophobicContact CE2-CG 4.48Å; F155-M159 HydrophobicContact CZ-CG 3.92Å; F155-M159 WeakPolarHBondContact O-CB 3.28Å; F155-M159 WeakPolarHBondContact O-CG 3.3Å; F155-M159 PolarHBondContact O-N 2.63Å; V157-M159 PolarHBondContact O-N 3.19Å; M159-T161 VanDerWaalsContact C-N 3.32Å; M159-T161 PolarHBondContact O-N 3.24Å; M159-V162 HydrophobicContact CE-CG2 3.95Å; M159-V162 WeakPolarHBondContact O-CB 3.23Å; M159-V162 PolarHBondContact O-N 2.91Å; M159-H163 WeakPolarHBondContact O-CB 3.44Å; M159-H163 PolarHBondContact O-CD2 2.81Å; M159-H163 PolarHBondContact O-N 3.36Å; M159-L179 HydrophobicContact CE-CD1 3.84Å; M159-L193 HydrophobicContact CE-CD1 3.39Å; M159-L193 HydrophobicContact SD-CD1 4.01Å; M159-Y196 HydrophobicContact CB-CE1 4.2Å; M159-Y196 HydrophobicContact CG-CD1 4.02Å; M159-Y196 HydrophobicContact CG-CE1 3.79Å; M159-Y196 HydrophobicContact SD-CD1 3.28Å; M159-Y196 WeakPolarHBondContact SD-CD1 3.45Å; M159-Y196 HydrophobicContact SD-CE1 3.41Å; M159-Y196 WeakPolarHBondContact SD-CE1 3.22Å; M159-Y196 HydrophobicContact SD-CG 4.21Å
160	R	98.2	Very high	97.7	Very high	3 Å²	3	14.2 Å²	14.2	1%	0.011	7%	0.072	C	C	.	.	H	α-helix	trans	-62.1	-39.5	172.4	-174.6	-176.7	-45.5	-65.1	-7.6	111.7	S115 I118 S119 M120 S156 V157 H163 S164 E239	S115-R160 PolarHBondContact O-NH2 3.11Å; S115-R160 PolarHBondContact OG-NE 2.7Å; S115-R160 PolarHBondContact OG-NH2 2.76Å; S115-R160 VanDerWaalsContact OG-NH2 3.08Å; I118-R160 PolarHBondContact O-NH1 3.02Å; I118-R160 PolarHBondContact O-NH2 3.39Å; S119-R160 PolarHBondContact O-NH1 3.47Å; M120-R160 HydrophobicContact SD-CB 4.18Å; S156-R160 WeakPolarHBondContact O-CB 3.46Å; S156-R160 PolarHBondContact O-N 2.7Å; V157-R160 WeakPolarHBondContact O-CB 3.42Å; V157-R160 PolarHBondContact O-N 3.31Å; R160-H163 PolarHBondContact O-N 3.31Å; R160-S164 VanDerWaalsContact O-CB 3.28Å; R160-S164 WeakPolarHBondContact O-CB 3.36Å; R160-S164 PolarHBondContact O-N 3.07Å; R160-S164 PolarHBondContact O-OG 3.1Å; R160-E239 WeakPolarHBondContact CD-OE1 3.4Å; R160-E239 HydrophobicContact CG-CG 3.79Å
161	T	98.9	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-49.3	171.8	-57.2	0	0	0	0	111.1	I148 V157 L158 M159 H163 S164 V165 A236 C238	I148-T161 HydrophobicContact CD1-CG2 3.74Å; I148-T161 HydrophobicContact CG1-CG2 4.37Å; V157-T161 PolarHBondContact O-N 3.3Å; V157-T161 PolarHBondContact O-OG1 2.85Å; L158-T161 WeakPolarHBondContact O-CB 3.44Å; L158-T161 PolarHBondContact O-N 3.33Å; M159-T161 VanDerWaalsContact C-N 3.32Å; M159-T161 PolarHBondContact O-N 3.24Å; T161-H163 PolarHBondContact O-N 2.98Å; T161-S164 PolarHBondContact O-N 2.86Å; T161-S164 PolarHBondContact O-OG 2.77Å; T161-V165 WeakPolarHBondContact O-CG2 3.2Å; T161-V165 PolarHBondContact O-N 3Å; T161-V165 VanDerWaalsContact O-N 3.11Å; T161-A236 PolarHBondContact OG1-O 2.68Å; T161-C238 WeakPolarHBondContact CA-O 3.49Å; T161-C238 VanDerWaalsContact CB-O 3.31Å; T161-C238 WeakPolarHBondContact CB-O 3.25Å; T161-C238 HydrophobicContact CG2-CB 4.01Å; T161-C238 PolarHBondContact OG1-N 3.49Å; T161-C238 PolarHBondContact OG1-O 2.83Å
162	V	98.9	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.3	-51.8	177.4	174.6	0	0	0	0	111.9	I148 L158 M159 S164 V165 I166 I177 L179 F200 V204	I148-V162 HydrophobicContact CD1-CG2 4.12Å; L158-V162 PolarHBondContact O-N 2.57Å; M159-V162 HydrophobicContact CE-CG2 3.95Å; M159-V162 WeakPolarHBondContact O-CB 3.23Å; M159-V162 PolarHBondContact O-N 2.91Å; V162-S164 PolarHBondContact O-N 2.84Å; V162-V165 PolarHBondContact O-N 3.26Å; V162-I166 HydrophobicContact CG1-CD1 3.85Å; V162-I166 WeakPolarHBondContact O-CG1 3.48Å; V162-I166 PolarHBondContact O-N 2.76Å; V162-I177 HydrophobicContact CG1-CD1 4.22Å; V162-L179 HydrophobicContact CG2-CD1 4.13Å; V162-L179 HydrophobicContact CG2-CD2 3.72Å; V162-L179 HydrophobicContact CG2-CG 4.46Å; V162-F200 HydrophobicContact CG1-CE2 4.05Å; V162-F200 HydrophobicContact CG1-CZ 4.04Å; V162-V204 HydrophobicContact CG1-CG1 4.4Å; V162-V204 HydrophobicContact CG1-CG2 3.82Å
163	H	98.7	Very high	97.7	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-42.1	179.7	-78.8	-68.4	0	0	0	112	M120 H121 M159 R160 T161 V165 I166 D167 Y196 F200	M120-H163 HydrophobicContact CB-CB 4.35Å; H121-H163 AromaticContact CE1-CE1 3.49Å; H121-H163 PolarHBondContact CE1-CE1 3.38Å; H121-H163 VanDerWaalsContact CE1-CE1 3.49Å; H121-H163 AromaticContact CE1-CG 3.77Å; H121-H163 AromaticContact CE1-ND1 3.05Å; H121-H163 PolarHBondContact CE1-ND1 2.78Å; H121-H163 AromaticContact ND1-ND1 3.81Å; H121-H163 AromaticContact NE2-CE1 3.66Å; H121-H163 AromaticContact NE2-ND1 3.66Å; M159-H163 WeakPolarHBondContact O-CB 3.44Å; M159-H163 PolarHBondContact O-CD2 2.81Å; M159-H163 PolarHBondContact O-N 3.36Å; R160-H163 PolarHBondContact O-N 3.31Å; T161-H163 PolarHBondContact O-N 2.98Å; H163-V165 VanDerWaalsContact C-N 3.27Å; H163-V165 PolarHBondContact O-N 3.36Å; H163-I166 PolarHBondContact O-N 2.82Å; H163-I166 VanDerWaalsContact O-N 3.15Å; H163-D167 VanDerWaalsContact O-CB 3.28Å; H163-D167 WeakPolarHBondContact O-CB 3.36Å; H163-D167 PolarHBondContact O-N 2.79Å; H163-Y196 AromaticContact NE2-CE1 3.67Å; H163-Y196 AromaticContact NE2-CZ 3.67Å; H163-Y196 PolarHBondContact NE2-OH 3.49Å; H163-F200 AromaticContact CE1-CE1 3.6Å; H163-F200 AromaticContact CE1-CZ 3.47Å; H163-F200 VanDerWaalsContact CE1-CZ 3.47Å; H163-F200 WeakPolarHBondContact CE1-CZ 3.4Å; H163-F200 AromaticContact ND1-CE1 3.89Å; H163-F200 AromaticContact ND1-CZ 3.97Å; H163-F200 AromaticContact NE2-CZ 3.76Å
164	S	98.7	Very high	97.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-39.9	176.9	77.2	0	0	0	0	112.4	R160 T161 V162 R168 V240	R160-S164 VanDerWaalsContact O-CB 3.28Å; R160-S164 WeakPolarHBondContact O-CB 3.36Å; R160-S164 PolarHBondContact O-N 3.07Å; R160-S164 PolarHBondContact O-OG 3.1Å; T161-S164 PolarHBondContact O-N 2.86Å; T161-S164 PolarHBondContact O-OG 2.77Å; V162-S164 PolarHBondContact O-N 2.84Å; S164-R168 WeakPolarHBondContact O-CB 3.45Å; S164-R168 PolarHBondContact O-N 3.49Å; S164-V240 VanDerWaalsContact C-CG2 3.48Å; S164-V240 WeakPolarHBondContact O-CG2 3.26Å; S164-V240 PolarHBondContact OG-N 2.74Å
165	V	98.8	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-45.6	177.1	171.5	0	0	0	0	110.3	V146 T161 V162 H163 S169 L174 I177 L234 V240 W244	V146-V165 HydrophobicContact CB-CG1 4.27Å; V146-V165 HydrophobicContact CG1-CG1 4.3Å; V146-V165 HydrophobicContact CG1-CG2 4.3Å; V146-V165 HydrophobicContact CG2-CG1 3.83Å; T161-V165 WeakPolarHBondContact O-CG2 3.2Å; T161-V165 PolarHBondContact O-N 3Å; T161-V165 VanDerWaalsContact O-N 3.11Å; V162-V165 PolarHBondContact O-N 3.26Å; H163-V165 VanDerWaalsContact C-N 3.27Å; H163-V165 PolarHBondContact O-N 3.36Å; V165-S169 WeakPolarHBondContact O-CB 3.34Å; V165-S169 PolarHBondContact O-N 3.15Å; V165-S169 VanDerWaalsContact O-N 3.16Å; V165-S169 PolarHBondContact O-OG 3.1Å; V165-L174 HydrophobicContact CG1-CD1 3.96Å; V165-L174 HydrophobicContact CG1-CD2 4.23Å; V165-I177 HydrophobicContact CB-CD1 4.04Å; V165-I177 HydrophobicContact CG1-CD1 3.64Å; V165-I177 HydrophobicContact CG1-CG1 4.14Å; V165-L234 HydrophobicContact CG2-CD1 3.55Å; V165-V240 HydrophobicContact CG2-CG1 3.98Å; V165-V240 HydrophobicContact CG2-CG2 4.33Å; V165-W244 HydrophobicContact CG1-CZ2 4.38Å; V165-W244 HydrophobicContact CG2-CZ2 4.39Å
166	I	98.5	Very high	98	Very high	39 Å²	39	21.4 Å²	21.4	20%	0.2	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-46.4	-179.3	-66.3	172.7	0	0	0	110.8	V162 H163 R168 L174 I177 F200 L203 V204	V162-I166 HydrophobicContact CG1-CD1 3.85Å; V162-I166 WeakPolarHBondContact O-CG1 3.48Å; V162-I166 PolarHBondContact O-N 2.76Å; H163-I166 PolarHBondContact O-N 2.82Å; H163-I166 VanDerWaalsContact O-N 3.15Å; I166-R168 VanDerWaalsContact C-N 3.31Å; I166-R168 PolarHBondContact O-N 3.22Å; I166-L174 HydrophobicContact CG1-CD2 4.32Å; I166-I177 HydrophobicContact CD1-CD1 4.05Å; I166-I177 HydrophobicContact CG1-CD1 3.53Å; I166-F200 HydrophobicContact CD1-CD1 3.39Å; I166-F200 HydrophobicContact CD1-CE1 3.42Å; I166-F200 VanDerWaalsContact CD1-CE1 3.42Å; I166-F200 HydrophobicContact CD1-CG 4.06Å; I166-F200 HydrophobicContact CD1-CZ 4.11Å; I166-L203 HydrophobicContact CD1-CD2 4.3Å; I166-L203 HydrophobicContact CG1-CD2 4.15Å; I166-V204 HydrophobicContact CD1-CG2 3.96Å
167	D	96.5	Very high	98	Very high	76 Å²	76	21.3 Å²	21.3	41%	0.406	11%	0.114	S	C	.	.	H	α-helix	trans	-69.7	-28	-172.8	-70.5	-12	0	0	0	112.8	H121 H163	H121-D167 IonicContact CE1-OD2 3.84Å; H121-D167 IonicContact CG-OD2 3.52Å; H121-D167 IonicContact ND1-OD1 3.95Å; H121-D167 IonicContact ND1-OD2 3.73Å; H121-D167 PolarHBondContact ND1-OD2 2.88Å; H163-D167 VanDerWaalsContact O-CB 3.28Å; H163-D167 WeakPolarHBondContact O-CB 3.36Å; H163-D167 PolarHBondContact O-N 2.79Å
168	R	97	Very high	98	Very high	36 Å²	36	21.3 Å²	21.3	14%	0.136	11%	0.114	C	C	.	.	H	α-helix	trans	-118.9	6.4	-170.3	-57.7	173.6	-169.7	136.2	5	114.5	R122 S164 I166 V240	R122-R168 PolarHBondContact O-NH2 3.24Å; S164-R168 WeakPolarHBondContact O-CB 3.45Å; S164-R168 PolarHBondContact O-N 3.49Å; I166-R168 VanDerWaalsContact C-N 3.31Å; I166-R168 PolarHBondContact O-N 3.22Å; R168-V240 HydrophobicContact CB-CG2 4.22Å; R168-V240 WeakPolarHBondContact CD-O 3.23Å; R168-V240 PolarHBondContact NH1-O 2.96Å
169	S	98.2	Very high	98.1	Very high	9 Å²	9	21.3 Å²	21.3	6%	0.063	11%	0.114	C	C	.	.	S	Bend	trans	-103.6	136.1	173.2	-55.3	0	0	0	0	110.8	V165 T171 W244	V165-S169 WeakPolarHBondContact O-CB 3.34Å; V165-S169 PolarHBondContact O-N 3.15Å; V165-S169 VanDerWaalsContact O-N 3.16Å; V165-S169 PolarHBondContact O-OG 3.1Å; S169-T171 PolarHBondContact O-N 2.67Å; S169-W244 PolarHBondContact OG-NE1 2.84Å; S169-W244 VanDerWaalsContact OG-NE1 3.12Å
170	P	97	Very high	98.1	Very high	25 Å²	25	21.3 Å²	21.3	16%	0.162	11%	0.114	C	C	.	.			trans	-57.8	128.6	170.8	-24.8	34.7	0	0	0	111.5	F73 H172 M173 L174 P246	F73-P170 HydrophobicContact CD1-CB 4.42Å; F73-P170 HydrophobicContact CD1-CG 3.89Å; F73-P170 HydrophobicContact CE1-CB 4.41Å; F73-P170 HydrophobicContact CE1-CG 4.25Å; P170-H172 VanDerWaalsContact C-N 3.28Å; P170-H172 PolarHBondContact O-N 3.26Å; P170-M173 HydrophobicContact CB-CB 4.42Å; P170-M173 HydrophobicContact CB-CE 4.33Å; P170-M173 HydrophobicContact CB-CG 4.12Å; P170-M173 HydrophobicContact CB-SD 4.1Å; P170-M173 HydrophobicContact CG-CE 4.31Å; P170-M173 HydrophobicContact CG-SD 3.99Å; P170-M173 PolarHBondContact O-N 2.74Å; P170-L174 PolarHBondContact O-N 2.77Å; P170-L174 VanDerWaalsContact O-N 3.1Å; P170-P246 HydrophobicContact CG-CG 3.93Å
171	T	95.3	Very high	98.1	Very high	128 Å²	128	21.4 Å²	21.4	79%	0.785	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-31.6	-170.4	53.3	0	0	0	0	114.4	S169 M173	S169-T171 PolarHBondContact O-N 2.67Å; T171-M173 VanDerWaalsContact C-N 3.31Å
172	H	95.7	Very high	98	Very high	64 Å²	64	21.5 Å²	21.5	30%	0.296	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.4	177.5	60.9	-81.5	0	0	0	113	F73 P170	F73-H172 AromaticContact CE1-CE1 3.9Å; P170-H172 VanDerWaalsContact C-N 3.28Å; P170-H172 PolarHBondContact O-N 3.26Å
173	M	97.8	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-35.4	177.2	-60.6	-176.6	-168.6	0	0	112	F73 L141 R143 T144 P170 T171 H175 L245 P246 L249	F73-M173 HydrophobicContact CD1-CE 4.27Å; F73-M173 HydrophobicContact CE1-CE 3.41Å; F73-M173 VanDerWaalsContact CE1-CE 3.41Å; F73-M173 HydrophobicContact CE2-CE 3.81Å; F73-M173 HydrophobicContact CZ-CE 3.14Å; L141-M173 HydrophobicContact CB-CE 4.06Å; L141-M173 HydrophobicContact CB-SD 4.12Å; L141-M173 HydrophobicContact CD1-CE 3.84Å; L141-M173 HydrophobicContact CD1-SD 4.14Å; L141-M173 HydrophobicContact CG-CE 4.39Å; R143-M173 CarbonylContact C-O 3.55Å; R143-M173 WeakPolarHBondContact CA-O 3.43Å; T144-M173 PolarHBondContact N-O 3.03Å; P170-M173 HydrophobicContact CB-CB 4.42Å; P170-M173 HydrophobicContact CB-CE 4.33Å; P170-M173 HydrophobicContact CB-CG 4.12Å; P170-M173 HydrophobicContact CB-SD 4.1Å; P170-M173 HydrophobicContact CG-CE 4.31Å; P170-M173 HydrophobicContact CG-SD 3.99Å; P170-M173 PolarHBondContact O-N 2.74Å; T171-M173 VanDerWaalsContact C-N 3.31Å; M173-H175 PolarHBondContact O-N 3.04Å; M173-L245 HydrophobicContact CB-CD2 4.06Å; M173-P246 HydrophobicContact CE-CG 4.21Å; M173-P246 HydrophobicContact SD-CG 4.02Å; M173-L249 HydrophobicContact SD-CD1 4.24Å
174	L	98.6	Very high	97.6	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.063	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	106.6	177.7	-175.3	61	0	0	0	110.3	V146 V165 I166 P170 I177 L203	V146-L174 HydrophobicContact CG2-CD1 3.77Å; V165-L174 HydrophobicContact CG1-CD1 3.96Å; V165-L174 HydrophobicContact CG1-CD2 4.23Å; I166-L174 HydrophobicContact CG1-CD2 4.32Å; P170-L174 PolarHBondContact O-N 2.77Å; P170-L174 VanDerWaalsContact O-N 3.1Å; L174-I177 HydrophobicContact CD1-CG1 4.09Å; L174-I177 HydrophobicContact CD2-CD1 4.28Å; L174-I177 HydrophobicContact CD2-CG1 4.46Å; L174-L203 HydrophobicContact CD2-CD2 4.12Å; L174-L203 HydrophobicContact CG-CD1 4.38Å
175	H	98.6	Very high	97.4	Very high	44 Å²	44	32.1 Å²	32.1	20%	0.204	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-49.5	-178.9	-174.4	44.4	0	0	0	112.2	R143 T144 M173 T227 G228	R143-H175 HydrophobicContact CB-CB 4.13Å; R143-H175 PolarHBondContact NH2-ND1 3.14Å; T144-H175 VanDerWaalsContact O-CB 3.24Å; T144-H175 WeakPolarHBondContact O-CB 3.17Å; T144-H175 PolarHBondContact O-N 3.01Å; M173-H175 PolarHBondContact O-N 3.04Å; H175-T227 PolarHBondContact CD2-OG1 2.73Å; H175-T227 PolarHBondContact NE2-OG1 2.72Å; H175-G228 PolarHBondContact CD2-N 3.11Å; H175-G228 VanDerWaalsContact CD2-N 3.3Å
176	E	98.8	Very high	97.2	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.019	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	162.3	-176.7	63.6	-172.6	159.8	0	0	110.1	S145 V146 I178 L203 K205 T227	S145-E176 WeakPolarHBondContact CA-O 3.36Å; S145-E176 VanDerWaalsContact OG-CG 3.26Å; S145-E176 WeakPolarHBondContact OG-CG 3.31Å; S145-E176 PolarHBondContact OG-OE1 2.82Å; V146-E176 PolarHBondContact N-O 2.97Å; E176-I178 HydrophobicContact CG-CD1 4.31Å; E176-I178 HydrophobicContact CG-CG1 4.08Å; E176-L203 CarbonylContact C-O 3.56Å; E176-L203 WeakPolarHBondContact CA-O 3.29Å; E176-K205 IonicContact OE2-NZ 3.04Å; E176-K205 PolarHBondContact OE2-NZ 3.28Å; E176-T227 PolarHBondContact OE1-N 3.47Å; E176-T227 PolarHBondContact OE1-OG1 3.49Å; E176-T227 VanDerWaalsContact OE1-OG1 3.13Å
177	I	98.9	Very high	97.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.6	168.4	-55.8	177.1	0	0	0	107.7	V146 I148 V162 V165 I166 L174 L179 L203 V204 K205	V146-I177 HydrophobicContact CB-CG1 4.33Å; V146-I177 CarbonylContact O-C 3.44Å; V146-I177 VanDerWaalsContact O-CA 3.31Å; V146-I177 WeakPolarHBondContact O-CA 3.48Å; I148-I177 HydrophobicContact CD1-CG2 3.95Å; V162-I177 HydrophobicContact CG1-CD1 4.22Å; V165-I177 HydrophobicContact CB-CD1 4.04Å; V165-I177 HydrophobicContact CG1-CD1 3.64Å; V165-I177 HydrophobicContact CG1-CG1 4.14Å; I166-I177 HydrophobicContact CD1-CD1 4.05Å; I166-I177 HydrophobicContact CG1-CD1 3.53Å; L174-I177 HydrophobicContact CD1-CG1 4.09Å; L174-I177 HydrophobicContact CD2-CD1 4.28Å; L174-I177 HydrophobicContact CD2-CG1 4.46Å; I177-L179 HydrophobicContact CG2-CD2 4.05Å; I177-L203 PolarHBondContact N-O 3.11Å; I177-V204 HydrophobicContact CB-CG1 4.43Å; I177-V204 HydrophobicContact CB-CG2 4.15Å; I177-V204 HydrophobicContact CD1-CG2 4.22Å; I177-V204 HydrophobicContact CG2-CG1 4.48Å; I177-V204 CarbonylContact O-C 3.49Å; I177-V204 WeakPolarHBondContact O-CA 3.38Å; I177-K205 PolarHBondContact O-N 3.31Å
178	I	98.9	Very high	97	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.4	-178.3	-51.2	179.4	0	0	0	108.3	V146 I147 I148 E176 V180 I207 A226	V146-I178 PolarHBondContact O-N 2.89Å; I147-I178 WeakPolarHBondContact CA-O 3.49Å; I148-I178 PolarHBondContact N-O 3.35Å; E176-I178 HydrophobicContact CG-CD1 4.31Å; E176-I178 HydrophobicContact CG-CG1 4.08Å; I178-V180 HydrophobicContact CG2-CG2 3.8Å; I178-I207 HydrophobicContact CG2-CD1 3.56Å; I178-I207 HydrophobicContact CG2-CG1 3.99Å; I178-A226 VanDerWaalsContact CD1-CA 3.47Å; I178-A226 HydrophobicContact CD1-CB 3.79Å
179	L	98.9	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.9	171.5	-54.7	-172.6	0	0	0	108	I148 F150 L158 M159 V162 I177 L193 V197 V204 K205 V206 I207	I148-L179 HydrophobicContact CB-CD2 3.75Å; I148-L179 HydrophobicContact CD1-CD2 3.87Å; I148-L179 HydrophobicContact CG1-CD2 4.34Å; I148-L179 HydrophobicContact CG2-CD2 4.22Å; I148-L179 CarbonylContact O-C 3.51Å; I148-L179 WeakPolarHBondContact O-CA 3.17Å; F150-L179 HydrophobicContact CD1-CB 4.48Å; F150-L179 HydrophobicContact CE1-CB 3.84Å; L158-L179 HydrophobicContact CD1-CD2 4.46Å; M159-L179 HydrophobicContact CE-CD1 3.84Å; V162-L179 HydrophobicContact CG2-CD1 4.13Å; V162-L179 HydrophobicContact CG2-CD2 3.72Å; V162-L179 HydrophobicContact CG2-CG 4.46Å; I177-L179 HydrophobicContact CG2-CD2 4.05Å; L179-L193 HydrophobicContact CD1-CD1 4.22Å; L179-V197 HydrophobicContact CD1-CG1 4.15Å; L179-V204 HydrophobicContact CD1-CG1 3.91Å; L179-V204 HydrophobicContact CG-CG1 3.96Å; L179-K205 PolarHBondContact N-O 3.32Å; L179-V206 HydrophobicContact CB-CG2 4.29Å; L179-V206 HydrophobicContact CD1-CG2 4.27Å; L179-V206 CarbonylContact O-C 3.49Å; L179-V206 WeakPolarHBondContact O-CA 3.45Å; L179-I207 PolarHBondContact O-N 3.26Å
180	V	98.8	Very high	96.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	103.7	178.7	-160.1	0	0	0	0	109.2	I147 I148 V149 F150 I178 D182 I207 T218	I147-V180 HydrophobicContact CG2-CG2 4.08Å; I148-V180 PolarHBondContact O-N 3.07Å; V149-V180 WeakPolarHBondContact CA-O 3.14Å; V149-V180 HydrophobicContact CG2-CB 4.25Å; F150-V180 PolarHBondContact N-O 3.4Å; F150-V180 VanDerWaalsContact N-O 3.07Å; I178-V180 HydrophobicContact CG2-CG2 3.8Å; V180-D182 PolarHBondContact O-N 2.94Å; V180-I207 CarbonylContact C-O 3.58Å; V180-I207 VanDerWaalsContact CA-O 3.32Å; V180-I207 WeakPolarHBondContact CA-O 3.39Å; V180-I207 HydrophobicContact CG1-CB 4.44Å; V180-T218 HydrophobicContact CB-CG2 3.68Å; V180-T218 HydrophobicContact CG1-CG2 3.25Å
181	D	98.5	Very high	96.8	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.032	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	110.6	176.9	-179.1	13.2	0	0	0	110.1	F150 F183 S184 I207 R208 N209	F150-D181 HydrophobicContact CE1-CB 3.82Å; F150-D181 HydrophobicContact CE2-CB 3.92Å; F150-D181 HydrophobicContact CZ-CB 3.41Å; F150-D181 VanDerWaalsContact CZ-CB 3.41Å; D181-F183 PolarHBondContact O-N 3.16Å; D181-F183 PolarHBondContact OD1-N 2.92Å; D181-S184 WeakPolarHBondContact OD1-CB 3.28Å; D181-S184 PolarHBondContact OD1-N 2.92Å; D181-S184 PolarHBondContact OD1-OG 3.08Å; D181-I207 PolarHBondContact N-O 3.31Å; D181-R208 HydrophobicContact CB-CB 4.25Å; D181-R208 HydrophobicContact CB-CG 3.94Å; D181-R208 IonicContact OD2-CZ 3.91Å; D181-R208 IonicContact OD2-NH1 3.87Å; D181-R208 PolarHBondContact OD2-NH1 3.48Å; D181-N209 PolarHBondContact O-N 3.35Å
182	D	96.2	Very high	96.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.011	20%	0.2	C	C	.	.			trans	-81.3	60	173.5	-174.6	33.2	0	0	0	110.9	F150 H151 V180 N209 R212 E213 G214 T218	F150-D182 PolarHBondContact O-N 3.23Å; H151-D182 HydrophobicContact CB-CB 4.22Å; H151-D182 PolarHBondContact ND1-O 3.32Å; V180-D182 PolarHBondContact O-N 2.94Å; D182-N209 PolarHBondContact OD1-ND2 2.92Å; D182-N209 VanDerWaalsContact OD1-ND2 3.1Å; D182-R212 WeakPolarHBondContact O-CD 3.26Å; D182-R212 VanDerWaalsContact OD2-CD 3.23Å; D182-R212 WeakPolarHBondContact OD2-CD 3.39Å; D182-R212 IonicContact OD2-CZ 3.69Å; D182-R212 IonicContact OD2-NE 3.63Å; D182-R212 PolarHBondContact OD2-NE 3.02Å; D182-E213 PolarHBondContact OD1-N 3.23Å; D182-G214 VanDerWaalsContact CG-N 3.3Å; D182-G214 PolarHBondContact OD1-N 2.55Å; D182-G214 WeakPolarHBondContact OD2-CA 3.49Å; D182-G214 PolarHBondContact OD2-N 3.17Å; D182-T218 HydrophobicContact CB-CG2 4.09Å; D182-T218 PolarHBondContact OD1-OG1 3.37Å
183	F	95.2	Very high	97.1	Very high	109 Å²	109	37.8 Å²	37.8	48%	0.478	19%	0.186	S	C	.	.	S	Bend	trans	59	55.5	172.7	-165.5	-110.2	0	0	0	113.6	H151 D181 K210 R212	H151-F183 PolarHBondContact CE1-O 2.96Å; H151-F183 VanDerWaalsContact CE1-O 3.26Å; H151-F183 PolarHBondContact ND1-O 3.16Å; D181-F183 PolarHBondContact O-N 3.16Å; D181-F183 PolarHBondContact OD1-N 2.92Å; F183-K210 WeakPolarHBondContact CE2-O 3.4Å; F183-R212 HydrophobicContact CB-CB 4.48Å; F183-R212 HydrophobicContact CD1-CB 4.43Å
184	S	95.6	Very high	97.1	Very high	13 Å²	13	40.9 Å²	40.9	9%	0.091	20%	0.202	C	C	.	.			trans	-67.5	144.1	174	-58.9	0	0	0	0	112.2	H151 N152 D181	H151-S184 WeakPolarHBondContact CA-OG 3.47Å; N152-S184 PolarHBondContact N-OG 3.49Å; N152-S184 VanDerWaalsContact OD1-CA 3.24Å; N152-S184 WeakPolarHBondContact OD1-CA 3.16Å; N152-S184 VanDerWaalsContact OD1-CB 3.31Å; N152-S184 WeakPolarHBondContact OD1-CB 3.37Å; D181-S184 WeakPolarHBondContact OD1-CB 3.28Å; D181-S184 PolarHBondContact OD1-N 2.92Å; D181-S184 PolarHBondContact OD1-OG 3.08Å
185	D	93.5	Very high	97.1	Very high	106 Å²	106	47.1 Å²	47.1	57%	0.567	23%	0.231	S	C	*	.			trans	-106	-10.4	175.4	62.5	9.5	0	0	0	113.8	N152 R190	N152-D185 PolarHBondContact ND2-OD1 2.86Å; N152-D185 PolarHBondContact OD1-N 3.09Å; N152-D185 PolarHBondContact OD1-OD1 3.23Å; D185-R190 PolarHBondContact O-NH2 3.27Å
186	K	94.6	Very high	97	Very high	35 Å²	35	47.8 Å²	47.8	15%	0.152	23%	0.232	C	C	.	.			trans	-67.3	132.6	176.7	-67.5	-177.3	177.5	-70.8	0	112.8	E107 Y108 N152 N188 L189	E107-K186 IonicContact OE1-NZ 3.79Å; E107-K186 PolarHBondContact OE1-NZ 3.27Å; Y108-K186 HydrophobicContact CE1-CD 3.93Å; Y108-K186 VanDerWaalsContact CE1-CE 3.41Å; Y108-K186 WeakPolarHBondContact OH-CD 3.22Å; Y108-K186 WeakPolarHBondContact OH-CE 3.49Å; Y108-K186 PolarHBondContact OH-NZ 3.34Å; Y108-K186 VanDerWaalsContact OH-NZ 3.17Å; N152-K186 HydrophobicContact CB-CD 3.97Å; N152-K186 HydrophobicContact CB-CG 4.21Å; N152-K186 VanDerWaalsContact O-CE 3.29Å; N152-K186 WeakPolarHBondContact O-CE 3.33Å; N152-K186 PolarHBondContact OD1-N 2.97Å; K186-N188 PolarHBondContact O-N 3.27Å; K186-L189 HydrophobicContact CB-CD1 4.14Å; K186-L189 HydrophobicContact CB-CG 4.29Å; K186-L189 PolarHBondContact O-N 3.34Å; K186-L189 VanDerWaalsContact O-N 3.17Å
187	E	95.8	Very high	97	Very high	124 Å²	124	48.2 Å²	48.2	58%	0.579	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-65	-40.8	-171.6	-169.6	57.5	-151.1	0	0	113.5	L189 R190	E187-L189 PolarHBondContact O-N 3.48Å; E187-L189 VanDerWaalsContact O-N 3.16Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 PolarHBondContact O-N 2.96Å; E187-R190 WeakPolarHBondContact OE2-CD 3.44Å; E187-R190 IonicContact OE2-CZ 3.79Å; E187-R190 IonicContact OE2-NE 2.72Å; E187-R190 IonicContact OE2-NH1 2.73Å; E187-R190 PolarHBondContact OE2-NH1 3.49Å
188	N	95.4	Very high	97	Very high	43 Å²	43	54.3 Å²	54.3	23%	0.23	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-65.8	-15.9	177.9	62.1	-18.3	0	0	0	113.9	F155 K186 R190 Q192 L193	F155-N188 HydrophobicContact CD2-CB 4.43Å; F155-N188 WeakPolarHBondContact CD2-O 3.48Å; K186-N188 PolarHBondContact O-N 3.27Å; N188-R190 VanDerWaalsContact C-N 3.35Å; N188-Q192 VanDerWaalsContact CB-OE1 3.24Å; N188-Q192 WeakPolarHBondContact O-CB 3.28Å; N188-L193 PolarHBondContact O-N 3.02Å
189	L	97.5	Very high	96.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-89	-0.9	174.8	-62.5	178.5	0	0	0	113	F150 F155 L158 K186 E187 R208	F150-L189 HydrophobicContact CD2-CD1 4.16Å; F150-L189 HydrophobicContact CE2-CB 4.38Å; F150-L189 HydrophobicContact CE2-CD1 4.07Å; F150-L189 HydrophobicContact CE2-CD2 4.21Å; F150-L189 HydrophobicContact CE2-CG 4.46Å; F155-L189 HydrophobicContact CD2-CD2 4.38Å; L158-L189 HydrophobicContact CD2-CD2 3.98Å; K186-L189 HydrophobicContact CB-CD1 4.14Å; K186-L189 HydrophobicContact CB-CG 4.29Å; K186-L189 PolarHBondContact O-N 3.34Å; K186-L189 VanDerWaalsContact O-N 3.17Å; E187-L189 PolarHBondContact O-N 3.48Å; E187-L189 VanDerWaalsContact O-N 3.16Å; L189-R208 VanDerWaalsContact O-CZ 3.24Å; L189-R208 PolarHBondContact O-NH1 3.34Å; L189-R208 PolarHBondContact O-NH2 3.04Å
190	R	95.1	Very high	96.9	Very high	111 Å²	111	60.5 Å²	60.5	42%	0.419	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-115.9	176.8	-59.6	177.8	178.7	170.8	-4.5	110.4	D185 E187 N188 Q192 L193 D194 R208	D185-R190 PolarHBondContact O-NH2 3.27Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 PolarHBondContact O-N 2.96Å; E187-R190 WeakPolarHBondContact OE2-CD 3.44Å; E187-R190 IonicContact OE2-CZ 3.79Å; E187-R190 IonicContact OE2-NE 2.72Å; E187-R190 IonicContact OE2-NH1 2.73Å; E187-R190 PolarHBondContact OE2-NH1 3.49Å; N188-R190 VanDerWaalsContact C-N 3.35Å; R190-Q192 VanDerWaalsContact C-N 3.28Å; R190-Q192 PolarHBondContact O-N 3.42Å; R190-L193 PolarHBondContact O-N 3.4Å; R190-L193 VanDerWaalsContact O-N 3.11Å; R190-D194 PolarHBondContact O-N 3.26Å; R190-D194 VanDerWaalsContact O-N 3.09Å; R190-R208 PolarHBondContact O-NH2 3.03Å
191	S	95.6	Very high	96.8	Very high	84 Å²	84	70 Å²	70	59%	0.587	34%	0.337	S	S	*	.	H	α-helix	trans	-60	-35.7	-174.7	-56.4	0	0	0	0	113.1	L193 D194 E195	S191-L193 PolarHBondContact O-N 2.78Å; S191-D194 PolarHBondContact O-N 3.13Å; S191-E195 WeakPolarHBondContact O-CB 3.33Å; S191-E195 PolarHBondContact O-N 3.07Å
192	Q	97.5	Very high	96.7	Very high	98 Å²	98	72 Å²	72	46%	0.458	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-42.2	177	177.3	-176.9	-12.9	0	0	111.8	F155 N188 R190 Y196	F155-Q192 HydrophobicContact CE2-CG 3.92Å; F155-Q192 HydrophobicContact CZ-CG 4.13Å; N188-Q192 VanDerWaalsContact CB-OE1 3.24Å; N188-Q192 WeakPolarHBondContact O-CB 3.28Å; R190-Q192 VanDerWaalsContact C-N 3.28Å; R190-Q192 PolarHBondContact O-N 3.42Å; Q192-Y196 VanDerWaalsContact O-CB 3.26Å; Q192-Y196 WeakPolarHBondContact O-CB 3.46Å; Q192-Y196 PolarHBondContact O-N 2.89Å
193	L	98.5	Very high	96.8	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-45.3	175	177	62.1	0	0	0	111	F150 F155 L158 M159 L179 N188 R190 S191 E195 Y196 V197 V206	F150-L193 HydrophobicContact CE1-CD2 4.43Å; F150-L193 HydrophobicContact CE2-CD2 4.06Å; F150-L193 HydrophobicContact CZ-CD2 3.54Å; F155-L193 HydrophobicContact CE2-CB 4.28Å; F155-L193 HydrophobicContact CE2-CD1 4.37Å; L158-L193 HydrophobicContact CD2-CD1 4.33Å; L158-L193 HydrophobicContact CD2-CD2 4.32Å; M159-L193 HydrophobicContact CE-CD1 3.39Å; M159-L193 HydrophobicContact SD-CD1 4.01Å; L179-L193 HydrophobicContact CD1-CD1 4.22Å; N188-L193 PolarHBondContact O-N 3.02Å; R190-L193 PolarHBondContact O-N 3.4Å; R190-L193 VanDerWaalsContact O-N 3.11Å; S191-L193 PolarHBondContact O-N 2.78Å; L193-E195 VanDerWaalsContact C-N 3.31Å; L193-E195 PolarHBondContact O-N 3.33Å; L193-Y196 PolarHBondContact O-N 3.28Å; L193-V197 HydrophobicContact CD1-CG1 4.14Å; L193-V197 WeakPolarHBondContact O-CG1 3.24Å; L193-V197 PolarHBondContact O-N 2.89Å; L193-V206 HydrophobicContact CD2-CG1 4.42Å; L193-V206 HydrophobicContact CD2-CG2 4.41Å; L193-V206 HydrophobicContact CG-CG2 4.27Å
194	D	97.9	Very high	97	Very high	65 Å²	65	69.6 Å²	69.6	35%	0.348	35%	0.352	S	S	.	.	H	α-helix	trans	-60.8	-41.5	179.6	-65.4	-24.9	0	0	0	111.6	R190 S191 V197 L198 R208	R190-D194 PolarHBondContact O-N 3.26Å; R190-D194 VanDerWaalsContact O-N 3.09Å; S191-D194 PolarHBondContact O-N 3.13Å; D194-V197 WeakPolarHBondContact O-CG2 3.28Å; D194-L198 WeakPolarHBondContact O-CG 3.11Å; D194-R208 VanDerWaalsContact CG-NH2 3.31Å; D194-R208 IonicContact OD1-CZ 2.81Å; D194-R208 IonicContact OD1-NE 3.95Å; D194-R208 IonicContact OD1-NH2 2.73Å; D194-R208 PolarHBondContact OD1-NH2 3.18Å; D194-R208 IonicContact OD2-NE 3.63Å; D194-R208 IonicContact OD2-NH2 3.37Å; D194-R208 PolarHBondContact OD2-NH2 3.12Å
195	E	98.3	Very high	97.1	Very high	143 Å²	143	73.4 Å²	73.4	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-67.6	-44.3	175.3	-175.7	175.2	-171.8	0	0	111.5	S191 L193 V197 L198	S191-E195 WeakPolarHBondContact O-CB 3.33Å; S191-E195 PolarHBondContact O-N 3.07Å; L193-E195 VanDerWaalsContact C-N 3.31Å; L193-E195 PolarHBondContact O-N 3.33Å; E195-V197 VanDerWaalsContact C-N 3.32Å; E195-V197 PolarHBondContact O-N 3.41Å; E195-L198 WeakPolarHBondContact O-CB 3.38Å; E195-L198 PolarHBondContact O-N 3.34Å
196	Y	98.2	Very high	97.4	Very high	59 Å²	59	70 Å²	70	23%	0.231	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-42.6	-179.2	-168.1	-87	0	0	0	111.7	F155 M159 H163 Q192 L193 L198 Q199 F200	F155-Y196 HydrophobicContact CE1-CD2 4.17Å; F155-Y196 HydrophobicContact CE1-CE2 4.34Å; F155-Y196 HydrophobicContact CE1-CG 4.5Å; F155-Y196 AromaticContact CZ-CD2 3.89Å; F155-Y196 HydrophobicContact CZ-CD2 3.89Å; F155-Y196 HydrophobicContact CZ-CE2 4.5Å; F155-Y196 AromaticContact CZ-CG 3.9Å; F155-Y196 HydrophobicContact CZ-CG 3.9Å; M159-Y196 HydrophobicContact CB-CE1 4.2Å; M159-Y196 HydrophobicContact CG-CD1 4.02Å; M159-Y196 HydrophobicContact CG-CE1 3.79Å; M159-Y196 HydrophobicContact SD-CD1 3.28Å; M159-Y196 WeakPolarHBondContact SD-CD1 3.45Å; M159-Y196 HydrophobicContact SD-CE1 3.41Å; M159-Y196 WeakPolarHBondContact SD-CE1 3.22Å; M159-Y196 HydrophobicContact SD-CG 4.21Å; H163-Y196 AromaticContact NE2-CE1 3.67Å; H163-Y196 AromaticContact NE2-CZ 3.67Å; H163-Y196 PolarHBondContact NE2-OH 3.49Å; Q192-Y196 VanDerWaalsContact O-CB 3.26Å; Q192-Y196 WeakPolarHBondContact O-CB 3.46Å; Q192-Y196 PolarHBondContact O-N 2.89Å; L193-Y196 PolarHBondContact O-N 3.28Å; Y196-L198 PolarHBondContact O-N 2.66Å; Y196-Q199 VanDerWaalsContact CZ-NE2 3.34Å; Y196-Q199 VanDerWaalsContact O-CG 3.24Å; Y196-Q199 WeakPolarHBondContact O-CG 3.38Å; Y196-Q199 PolarHBondContact O-N 2.91Å; Y196-Q199 PolarHBondContact O-NE2 3.22Å; Y196-F200 HydrophobicContact CD1-CE2 4.13Å; Y196-F200 HydrophobicContact CE1-CE2 4.07Å; Y196-F200 HydrophobicContact CE1-CZ 4.06Å
197	V	98.3	Very high	97.5	Very high	13 Å²	13	69.7 Å²	69.7	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-69.7	-17	-176.5	-62.7	0	0	0	0	113.9	L179 L193 D194 E195 Q199 F200 V204 V206	L179-V197 HydrophobicContact CD1-CG1 4.15Å; L193-V197 HydrophobicContact CD1-CG1 4.14Å; L193-V197 WeakPolarHBondContact O-CG1 3.24Å; L193-V197 PolarHBondContact O-N 2.89Å; D194-V197 WeakPolarHBondContact O-CG2 3.28Å; E195-V197 VanDerWaalsContact C-N 3.32Å; E195-V197 PolarHBondContact O-N 3.41Å; V197-Q199 PolarHBondContact O-N 2.77Å; V197-F200 HydrophobicContact CB-CD2 4.3Å; V197-F200 WeakPolarHBondContact O-CD2 3.37Å; V197-F200 PolarHBondContact O-N 3.05Å; V197-V204 HydrophobicContact CB-CB 4.33Å; V197-V204 HydrophobicContact CB-CG1 4.16Å; V197-V204 HydrophobicContact CG1-CB 4.44Å; V197-V204 HydrophobicContact CG1-CG1 3.77Å; V197-V206 HydrophobicContact CG1-CG2 4Å; V197-V206 HydrophobicContact CG2-CG2 3.94Å
198	L	98.2	Very high	97.6	Very high	128 Å²	128	67.2 Å²	67.2	67%	0.67	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-58.9	-29.9	178	-63.6	177.9	0	0	0	112.5	D194 E195 Y196 F200 K201	D194-L198 WeakPolarHBondContact O-CG 3.11Å; E195-L198 WeakPolarHBondContact O-CB 3.38Å; E195-L198 PolarHBondContact O-N 3.34Å; Y196-L198 PolarHBondContact O-N 2.66Å; L198-F200 PolarHBondContact O-N 3.24Å; L198-F200 VanDerWaalsContact O-N 3.12Å; L198-K201 PolarHBondContact O-N 2.91Å; L198-K201 VanDerWaalsContact O-N 3.08Å
199	Q	97.9	Very high	97.7	Very high	103 Å²	103	65.8 Å²	65.8	48%	0.481	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25	178.5	78.9	-170.3	-85.5	0	0	113	Y196 V197 K201	Y196-Q199 VanDerWaalsContact CZ-NE2 3.34Å; Y196-Q199 VanDerWaalsContact O-CG 3.24Å; Y196-Q199 WeakPolarHBondContact O-CG 3.38Å; Y196-Q199 PolarHBondContact O-N 2.91Å; Y196-Q199 PolarHBondContact O-NE2 3.22Å; V197-Q199 PolarHBondContact O-N 2.77Å; Q199-K201 VanDerWaalsContact C-N 3.25Å; Q199-K201 PolarHBondContact O-N 2.77Å
200	F	98.3	Very high	97.6	Very high	28 Å²	28	75.4 Å²	75.4	12%	0.123	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-85.5	8.4	-179.3	-53.8	-65.2	0	0	0	113.5	V162 H163 I166 Y196 V197 L198 G202 L203 V204	V162-F200 HydrophobicContact CG1-CE2 4.05Å; V162-F200 HydrophobicContact CG1-CZ 4.04Å; H163-F200 AromaticContact CE1-CE1 3.6Å; H163-F200 AromaticContact CE1-CZ 3.47Å; H163-F200 VanDerWaalsContact CE1-CZ 3.47Å; H163-F200 WeakPolarHBondContact CE1-CZ 3.4Å; H163-F200 AromaticContact ND1-CE1 3.89Å; H163-F200 AromaticContact ND1-CZ 3.97Å; H163-F200 AromaticContact NE2-CZ 3.76Å; I166-F200 HydrophobicContact CD1-CD1 3.39Å; I166-F200 HydrophobicContact CD1-CE1 3.42Å; I166-F200 VanDerWaalsContact CD1-CE1 3.42Å; I166-F200 HydrophobicContact CD1-CG 4.06Å; I166-F200 HydrophobicContact CD1-CZ 4.11Å; Y196-F200 HydrophobicContact CD1-CE2 4.13Å; Y196-F200 HydrophobicContact CE1-CE2 4.07Å; Y196-F200 HydrophobicContact CE1-CZ 4.06Å; V197-F200 HydrophobicContact CB-CD2 4.3Å; V197-F200 WeakPolarHBondContact O-CD2 3.37Å; V197-F200 PolarHBondContact O-N 3.05Å; L198-F200 PolarHBondContact O-N 3.24Å; L198-F200 VanDerWaalsContact O-N 3.12Å; F200-G202 PolarHBondContact O-N 3Å; F200-G202 VanDerWaalsContact O-N 3.1Å; F200-L203 HydrophobicContact CB-CB 4.34Å; F200-L203 VanDerWaalsContact O-CB 3.27Å; F200-L203 WeakPolarHBondContact O-CB 3.49Å; F200-L203 PolarHBondContact O-N 3.33Å; F200-V204 HydrophobicContact CB-CB 4.05Å; F200-V204 HydrophobicContact CB-CG2 3.64Å; F200-V204 HydrophobicContact CD1-CG2 4.31Å; F200-V204 HydrophobicContact CD2-CB 3.75Å; F200-V204 HydrophobicContact CD2-CG1 4.42Å; F200-V204 HydrophobicContact CD2-CG2 3.4Å; F200-V204 VanDerWaalsContact CD2-CG2 3.4Å; F200-V204 HydrophobicContact CE2-CG2 4.09Å; F200-V204 HydrophobicContact CG-CB 4.17Å; F200-V204 HydrophobicContact CG-CG2 3.53Å
201	K	96.9	Very high	97.5	Very high	199 Å²	199	75.1 Å²	75.1	87%	0.865	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	39.6	170.3	-56.9	179	-176.4	176.1	0	113.6	L198 Q199	L198-K201 PolarHBondContact O-N 2.91Å; L198-K201 VanDerWaalsContact O-N 3.08Å; Q199-K201 VanDerWaalsContact C-N 3.25Å; Q199-K201 PolarHBondContact O-N 2.77Å
202	G	96.5	Very high	97.4	Very high	50 Å²	50	72.8 Å²	72.8	52%	0.515	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-2.4	177.9	0	0	0	0	0	115.8	F200 V204	F200-G202 PolarHBondContact O-N 3Å; F200-G202 VanDerWaalsContact O-N 3.1Å; G202-V204 VanDerWaalsContact C-N 3.32Å
203	L	98.6	Very high	97.2	Very high	53 Å²	53	70.4 Å²	70.4	28%	0.277	34%	0.339	S	S	.	.	S	Bend	trans	-65.8	-37.4	172.7	-177.8	67	0	0	0	111.7	I166 L174 E176 I177 F200	I166-L203 HydrophobicContact CD1-CD2 4.3Å; I166-L203 HydrophobicContact CG1-CD2 4.15Å; L174-L203 HydrophobicContact CD2-CD2 4.12Å; L174-L203 HydrophobicContact CG-CD1 4.38Å; E176-L203 CarbonylContact C-O 3.56Å; E176-L203 WeakPolarHBondContact CA-O 3.29Å; I177-L203 PolarHBondContact N-O 3.11Å; F200-L203 HydrophobicContact CB-CB 4.34Å; F200-L203 VanDerWaalsContact O-CB 3.27Å; F200-L203 WeakPolarHBondContact O-CB 3.49Å; F200-L203 PolarHBondContact O-N 3.33Å
204	V	98.8	Very high	96.9	Very high	7 Å²	7	70.4 Å²	70.4	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.1	177.3	-174	0	0	0	0	109	V162 I166 I177 L179 V197 F200 G202	V162-V204 HydrophobicContact CG1-CG1 4.4Å; V162-V204 HydrophobicContact CG1-CG2 3.82Å; I166-V204 HydrophobicContact CD1-CG2 3.96Å; I177-V204 HydrophobicContact CB-CG1 4.43Å; I177-V204 HydrophobicContact CB-CG2 4.15Å; I177-V204 HydrophobicContact CD1-CG2 4.22Å; I177-V204 HydrophobicContact CG2-CG1 4.48Å; I177-V204 CarbonylContact O-C 3.49Å; I177-V204 WeakPolarHBondContact O-CA 3.38Å; L179-V204 HydrophobicContact CD1-CG1 3.91Å; L179-V204 HydrophobicContact CG-CG1 3.96Å; V197-V204 HydrophobicContact CB-CB 4.33Å; V197-V204 HydrophobicContact CB-CG1 4.16Å; V197-V204 HydrophobicContact CG1-CB 4.44Å; V197-V204 HydrophobicContact CG1-CG1 3.77Å; F200-V204 HydrophobicContact CB-CB 4.05Å; F200-V204 HydrophobicContact CB-CG2 3.64Å; F200-V204 HydrophobicContact CD1-CG2 4.31Å; F200-V204 HydrophobicContact CD2-CB 3.75Å; F200-V204 HydrophobicContact CD2-CG1 4.42Å; F200-V204 HydrophobicContact CD2-CG2 3.4Å; F200-V204 VanDerWaalsContact CD2-CG2 3.4Å; F200-V204 HydrophobicContact CE2-CG2 4.09Å; F200-V204 HydrophobicContact CG-CB 4.17Å; F200-V204 HydrophobicContact CG-CG2 3.53Å; G202-V204 VanDerWaalsContact C-N 3.32Å
205	K	98.2	Very high	96.7	Very high	92 Å²	92	68.6 Å²	68.6	40%	0.4	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.4	179.1	-60.3	173.3	-171.9	162.1	0	109.9	E176 I177 L179	E176-K205 IonicContact OE2-NZ 3.04Å; E176-K205 PolarHBondContact OE2-NZ 3.28Å; I177-K205 PolarHBondContact O-N 3.31Å; L179-K205 PolarHBondContact N-O 3.32Å
206	V	98.7	Very high	96.6	Very high	35 Å²	35	61.8 Å²	61.8	21%	0.212	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.6	174.8	-176	0	0	0	0	109	L179 L193 V197 R208	L179-V206 HydrophobicContact CB-CG2 4.29Å; L179-V206 HydrophobicContact CD1-CG2 4.27Å; L179-V206 CarbonylContact O-C 3.49Å; L179-V206 WeakPolarHBondContact O-CA 3.45Å; L193-V206 HydrophobicContact CD2-CG1 4.42Å; L193-V206 HydrophobicContact CD2-CG2 4.41Å; L193-V206 HydrophobicContact CG-CG2 4.27Å; V197-V206 HydrophobicContact CG1-CG2 4Å; V197-V206 HydrophobicContact CG2-CG2 3.94Å; V206-R208 HydrophobicContact CG1-CG 4.09Å
207	I	98.1	Very high	96.5	Very high	29 Å²	29	62.5 Å²	62.5	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.2	175	-56.6	-176.7	0	0	0	107.3	I178 L179 V180 D181 R221 E225	I178-I207 HydrophobicContact CG2-CD1 3.56Å; I178-I207 HydrophobicContact CG2-CG1 3.99Å; L179-I207 PolarHBondContact O-N 3.26Å; V180-I207 CarbonylContact C-O 3.58Å; V180-I207 VanDerWaalsContact CA-O 3.32Å; V180-I207 WeakPolarHBondContact CA-O 3.39Å; V180-I207 HydrophobicContact CG1-CB 4.44Å; D181-I207 PolarHBondContact N-O 3.31Å; I207-R221 VanDerWaalsContact CG2-CZ 3.42Å; I207-E225 HydrophobicContact CD1-CB 3.53Å; I207-E225 HydrophobicContact CD1-CG 3.64Å
208	R	98.2	Very high	96.5	Very high	72 Å²	72	61.9 Å²	61.9	27%	0.272	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.6	-175.7	-52	-172.9	178	-93.7	3.7	111.8	D181 L189 R190 D194 V206 R221	D181-R208 HydrophobicContact CB-CB 4.25Å; D181-R208 HydrophobicContact CB-CG 3.94Å; D181-R208 IonicContact OD2-CZ 3.91Å; D181-R208 IonicContact OD2-NH1 3.87Å; D181-R208 PolarHBondContact OD2-NH1 3.48Å; L189-R208 VanDerWaalsContact O-CZ 3.24Å; L189-R208 PolarHBondContact O-NH1 3.34Å; L189-R208 PolarHBondContact O-NH2 3.04Å; R190-R208 PolarHBondContact O-NH2 3.03Å; D194-R208 VanDerWaalsContact CG-NH2 3.31Å; D194-R208 IonicContact OD1-CZ 2.81Å; D194-R208 IonicContact OD1-NE 3.95Å; D194-R208 IonicContact OD1-NH2 2.73Å; D194-R208 PolarHBondContact OD1-NH2 3.18Å; D194-R208 IonicContact OD2-NE 3.63Å; D194-R208 IonicContact OD2-NH2 3.37Å; D194-R208 PolarHBondContact OD2-NH2 3.12Å; V206-R208 HydrophobicContact CG1-CG 4.09Å; R208-R221 PolarHBondContact O-NH1 3.29Å; R208-R221 PolarHBondContact O-NH2 3.49Å
209	N	97.1	Very high	96.5	Very high	12 Å²	12	56 Å²	56	6%	0.064	27%	0.265	C	S	.	.			trans	-69.8	147.8	169.4	-69.2	-16.2	0	0	0	110.8	D181 D182 E211 T218 R221	D181-N209 PolarHBondContact O-N 3.35Å; D182-N209 PolarHBondContact OD1-ND2 2.92Å; D182-N209 VanDerWaalsContact OD1-ND2 3.1Å; N209-E211 VanDerWaalsContact CB-O 3.25Å; N209-E211 WeakPolarHBondContact CB-O 3.27Å; N209-T218 PolarHBondContact ND2-OG1 3.12Å; N209-R221 VanDerWaalsContact OD1-CD 3.23Å; N209-R221 WeakPolarHBondContact OD1-CD 3.11Å; N209-R221 PolarHBondContact OD1-NH1 2.88Å
210	K	95.1	Very high	96.5	Very high	203 Å²	203	51.7 Å²	51.7	88%	0.883	25%	0.247	S	C	*	.	S	Bend	trans	-81.5	-20.8	178.1	-66	-179.3	180	177.6	0	112.5	F183	F183-K210 WeakPolarHBondContact CE2-O 3.4Å
211	E	93.1	Very high	96.5	Very high	104 Å²	104	53.7 Å²	53.7	49%	0.486	25%	0.253	S	S	.	.	S	Bend	trans	-147.4	168.8	173.3	62.2	178.3	177.9	0	0	109.5	N209 E213	N209-E211 VanDerWaalsContact CB-O 3.25Å; N209-E211 WeakPolarHBondContact CB-O 3.27Å; E211-E213 PolarHBondContact O-N 3.2Å; E211-E213 VanDerWaalsContact O-N 3.15Å
212	R	92.4	Very high	96.6	Very high	36 Å²	36	44.2 Å²	44.2	14%	0.136	21%	0.212	C	C	.	.			trans	-68.1	110.2	176.5	-173.3	72.8	-172.8	-78.8	-3.6	109.7	H151 D182 F183 N381 L385	H151-R212 VanDerWaalsContact CD2-CZ 3.42Å; H151-R212 PolarHBondContact CD2-NH1 3.13Å; H151-R212 VanDerWaalsContact CD2-NH1 3.28Å; H151-R212 PolarHBondContact NE2-NH1 3.18Å; H151-R212 VanDerWaalsContact NE2-NH1 3.12Å; D182-R212 WeakPolarHBondContact O-CD 3.26Å; D182-R212 VanDerWaalsContact OD2-CD 3.23Å; D182-R212 WeakPolarHBondContact OD2-CD 3.39Å; D182-R212 IonicContact OD2-CZ 3.69Å; D182-R212 IonicContact OD2-NE 3.63Å; D182-R212 PolarHBondContact OD2-NE 3.02Å; F183-R212 HydrophobicContact CB-CB 4.48Å; F183-R212 HydrophobicContact CD1-CB 4.43Å; R212-N381 PolarHBondContact NH1-O 3.19Å; R212-L385 VanDerWaalsContact O-CD1 3.27Å; R212-L385 WeakPolarHBondContact O-CD1 3.37Å
213	E	93.1	Very high	96.7	Very high	47 Å²	47	41.8 Å²	41.8	22%	0.22	19%	0.187	C	C	.	.			trans	-99.6	-22.7	177.6	-72.9	-68.9	174.6	0	0	112	D182 E211 R217	D182-E213 PolarHBondContact OD1-N 3.23Å; E211-E213 PolarHBondContact O-N 3.2Å; E211-E213 VanDerWaalsContact O-N 3.15Å; E213-R217 HydrophobicContact CB-CB 4.03Å; E213-R217 WeakPolarHBondContact OE2-CD 3.27Å; E213-R217 IonicContact OE2-CZ 3.43Å; E213-R217 IonicContact OE2-NE 3.54Å; E213-R217 IonicContact OE2-NH1 2.64Å; E213-R217 PolarHBondContact OE2-NH1 3.03Å
214	G	93	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	85.4	167.8	-177.2	0	0	0	0	0	113.6	D182 I216 T218	D182-G214 VanDerWaalsContact CG-N 3.3Å; D182-G214 PolarHBondContact OD1-N 2.55Å; D182-G214 WeakPolarHBondContact OD2-CA 3.49Å; D182-G214 PolarHBondContact OD2-N 3.17Å; G214-I216 VanDerWaalsContact C-N 3.35Å; G214-I216 PolarHBondContact O-N 2.65Å; G214-T218 WeakPolarHBondContact O-CB 2.97Å; G214-T218 PolarHBondContact O-N 3.49Å; G214-T218 PolarHBondContact O-OG1 3Å
215	L	94.1	Very high	96.6	Very high	28 Å²	28	49 Å²	49	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-55.1	-47.4	-172.1	176	153	0	0	0	112.3	T218 R219 V343	L215-T218 PolarHBondContact O-N 2.72Å; L215-R219 HydrophobicContact CD2-CG 4.47Å; L215-R219 WeakPolarHBondContact O-CB 3.46Å; L215-R219 VanDerWaalsContact O-CG 3.31Å; L215-R219 WeakPolarHBondContact O-CG 3.19Å; L215-R219 PolarHBondContact O-N 3.44Å; L215-V343 WeakPolarHBondContact CB-O 3.21Å; L215-V343 PolarHBondContact N-O 3.15Å
216	I	95.7	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-55.4	-172.5	-56.8	172.6	0	0	0	111.5	G214 T218 R219 S220 Y337 L341 V343 E347	G214-I216 VanDerWaalsContact C-N 3.35Å; G214-I216 PolarHBondContact O-N 2.65Å; I216-T218 PolarHBondContact O-N 2.73Å; I216-R219 PolarHBondContact O-N 2.84Å; I216-S220 PolarHBondContact O-N 3.03Å; I216-S220 VanDerWaalsContact O-N 3.16Å; I216-S220 PolarHBondContact O-OG 2.99Å; I216-Y337 VanDerWaalsContact CG2-CB 3.49Å; I216-Y337 HydrophobicContact CG2-CD1 4.46Å; I216-Y337 HydrophobicContact CG2-CD2 3.88Å; I216-Y337 HydrophobicContact CG2-CG 3.72Å; I216-L341 HydrophobicContact CD1-CB 3.73Å; I216-L341 HydrophobicContact CG2-CB 4.13Å; I216-V343 PolarHBondContact N-O 3.4Å; I216-E347 HydrophobicContact CD1-CB 3.88Å; I216-E347 HydrophobicContact CD1-CG 4.42Å; I216-E347 HydrophobicContact CG1-CB 3.79Å; I216-E347 HydrophobicContact CG1-CG 3.97Å; I216-E347 HydrophobicContact CG2-CB 4.08Å
217	R	95.9	Very high	96.6	Very high	74 Å²	74	47.3 Å²	47.3	28%	0.279	22%	0.218	S	C	.	.	H	α-helix	trans	-70	-34.2	-178.5	-68.8	178.7	179.8	-177.2	-3.9	112.4	E213 R219 S220 R221 P339	E213-R217 HydrophobicContact CB-CB 4.03Å; E213-R217 WeakPolarHBondContact OE2-CD 3.27Å; E213-R217 IonicContact OE2-CZ 3.43Å; E213-R217 IonicContact OE2-NE 3.54Å; E213-R217 IonicContact OE2-NH1 2.64Å; E213-R217 PolarHBondContact OE2-NH1 3.03Å; R217-R219 VanDerWaalsContact C-N 3.31Å; R217-R219 PolarHBondContact O-N 3.13Å; R217-S220 WeakPolarHBondContact O-CB 3.45Å; R217-S220 PolarHBondContact O-N 2.9Å; R217-R221 PolarHBondContact O-N 2.94Å; R217-P339 VanDerWaalsContact CZ-O 3.24Å; R217-P339 PolarHBondContact NE-O 2.79Å; R217-P339 PolarHBondContact NH2-O 3.22Å
218	T	97.9	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-35.4	177.2	-54.4	0	0	0	0	111.5	V149 V180 D182 N209 G214 L215 I216 R221 G222	V149-T218 HydrophobicContact CB-CG2 4.28Å; V149-T218 HydrophobicContact CG1-CG2 3.5Å; V149-T218 VanDerWaalsContact CG1-CG2 3.5Å; V149-T218 HydrophobicContact CG2-CG2 3.88Å; V180-T218 HydrophobicContact CB-CG2 3.68Å; V180-T218 HydrophobicContact CG1-CG2 3.25Å; D182-T218 HydrophobicContact CB-CG2 4.09Å; D182-T218 PolarHBondContact OD1-OG1 3.37Å; N209-T218 PolarHBondContact ND2-OG1 3.12Å; G214-T218 WeakPolarHBondContact O-CB 2.97Å; G214-T218 PolarHBondContact O-N 3.49Å; G214-T218 PolarHBondContact O-OG1 3Å; L215-T218 PolarHBondContact O-N 2.72Å; I216-T218 PolarHBondContact O-N 2.73Å; T218-R221 WeakPolarHBondContact O-CB 3.36Å; T218-R221 PolarHBondContact O-N 2.89Å; T218-G222 PolarHBondContact O-N 3.45Å
219	R	98.4	Very high	96.7	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-45	170.4	-77	-176.7	179.2	-171.2	-6.3	112	V149 L215 I216 R217 R221 G222 A223 F233 D235 G321 G322 Y337	V149-R219 HydrophobicContact CB-CG 4.31Å; V149-R219 HydrophobicContact CG2-CB 4.34Å; V149-R219 HydrophobicContact CG2-CG 3.53Å; L215-R219 HydrophobicContact CD2-CG 4.47Å; L215-R219 WeakPolarHBondContact O-CB 3.46Å; L215-R219 VanDerWaalsContact O-CG 3.31Å; L215-R219 WeakPolarHBondContact O-CG 3.19Å; L215-R219 PolarHBondContact O-N 3.44Å; I216-R219 PolarHBondContact O-N 2.84Å; R217-R219 VanDerWaalsContact C-N 3.31Å; R217-R219 PolarHBondContact O-N 3.13Å; R219-R221 VanDerWaalsContact C-N 3.26Å; R219-R221 PolarHBondContact O-N 2.82Å; R219-G222 PolarHBondContact O-N 2.91Å; R219-G222 VanDerWaalsContact O-N 3.16Å; R219-A223 PolarHBondContact O-N 2.89Å; R219-F233 HydrophobicContact CB-CD1 3.96Å; R219-F233 HydrophobicContact CB-CE1 3.45Å; R219-F233 VanDerWaalsContact CB-CE1 3.45Å; R219-F233 HydrophobicContact CB-CZ 4.03Å; R219-F233 HydrophobicContact CG-CD1 3.7Å; R219-F233 HydrophobicContact CG-CE1 3.73Å; R219-F233 WeakPolarHBondContact O-CE1 3.23Å; R219-D235 IonicContact CZ-OD1 3.19Å; R219-D235 IonicContact NH2-OD1 2.66Å; R219-D235 PolarHBondContact NH2-OD1 3.04Å; R219-G321 PolarHBondContact NH1-O 2.85Å; R219-G322 PolarHBondContact NH2-O 2.64Å; R219-Y337 HydrophobicContact CB-CD2 4.42Å; R219-Y337 HydrophobicContact CB-CE2 3.94Å
220	S	98.3	Very high	96.8	Very high	14 Å²	14	45.8 Å²	45.8	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-41.2	173.5	-62.9	0	0	0	0	111.7	I216 R217 A223 M224	I216-S220 PolarHBondContact O-N 3.03Å; I216-S220 VanDerWaalsContact O-N 3.16Å; I216-S220 PolarHBondContact O-OG 2.99Å; R217-S220 WeakPolarHBondContact O-CB 3.45Å; R217-S220 PolarHBondContact O-N 2.9Å; S220-A223 PolarHBondContact O-N 3.32Å; S220-M224 WeakPolarHBondContact O-CG 3.46Å; S220-M224 PolarHBondContact O-N 3.12Å
221	R	98.2	Very high	96.9	Very high	69 Å²	69	36.1 Å²	36.1	26%	0.26	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-48.9	173.9	-175.2	-179.5	-179.4	-171.5	-2.2	112.1	I207 R208 N209 R217 T218 R219 A223 M224 E225	I207-R221 VanDerWaalsContact CG2-CZ 3.42Å; R208-R221 PolarHBondContact O-NH1 3.29Å; R208-R221 PolarHBondContact O-NH2 3.49Å; N209-R221 VanDerWaalsContact OD1-CD 3.23Å; N209-R221 WeakPolarHBondContact OD1-CD 3.11Å; N209-R221 PolarHBondContact OD1-NH1 2.88Å; R217-R221 PolarHBondContact O-N 2.94Å; T218-R221 WeakPolarHBondContact O-CB 3.36Å; T218-R221 PolarHBondContact O-N 2.89Å; R219-R221 VanDerWaalsContact C-N 3.26Å; R219-R221 PolarHBondContact O-N 2.82Å; R221-A223 PolarHBondContact O-N 3.17Å; R221-M224 HydrophobicContact CB-CE 4.4Å; R221-M224 PolarHBondContact O-N 3.11Å; R221-M224 VanDerWaalsContact O-N 3.1Å; R221-E225 HydrophobicContact CG-CG 4.27Å; R221-E225 WeakPolarHBondContact O-CG 3.48Å; R221-E225 PolarHBondContact O-N 2.88Å
222	G	98.7	Very high	97.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.2	-40.3	176.5	0	0	0	0	0	112.5	I147 T218 R219 E225 A226	I147-G222 VanDerWaalsContact CD1-C 3.43Å; T218-G222 PolarHBondContact O-N 3.45Å; R219-G222 PolarHBondContact O-N 2.91Å; R219-G222 VanDerWaalsContact O-N 3.16Å; G222-E225 PolarHBondContact O-N 3.21Å; G222-A226 WeakPolarHBondContact O-CB 3.35Å; G222-A226 PolarHBondContact O-N 2.81Å
223	A	98.7	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-39.6	176.1	0	0	0	0	0	112.8	I147 R219 S220 R221 I231 F233 R328 F331 L332	I147-A223 HydrophobicContact CD1-CB 4.28Å; R219-A223 PolarHBondContact O-N 2.89Å; S220-A223 PolarHBondContact O-N 3.32Å; R221-A223 PolarHBondContact O-N 3.17Å; A223-I231 HydrophobicContact CB-CD1 3.6Å; A223-F233 HydrophobicContact CB-CZ 4.04Å; A223-R328 PolarHBondContact O-NE 2.98Å; A223-F331 HydrophobicContact CB-CD1 3.69Å; A223-F331 HydrophobicContact CB-CE1 3.55Å; A223-L332 HydrophobicContact CB-CD2 4.47Å
224	M	98.3	Very high	97.8	Very high	115 Å²	115	27.4 Å²	27.4	57%	0.567	13%	0.134	S	C	*	.	H	α-helix	trans	-64.4	-41.2	176.5	-71.7	-174.8	-70.2	0	0	111.8	S220 R221 R328 L332	S220-M224 WeakPolarHBondContact O-CG 3.46Å; S220-M224 PolarHBondContact O-N 3.12Å; R221-M224 HydrophobicContact CB-CE 4.4Å; R221-M224 PolarHBondContact O-N 3.11Å; R221-M224 VanDerWaalsContact O-N 3.1Å; M224-R328 PolarHBondContact O-NH2 3.28Å; M224-L332 HydrophobicContact CG-CD2 4.01Å
225	E	98.4	Very high	98	Very high	96 Å²	96	28.5 Å²	28.5	45%	0.449	14%	0.139	S	C	.	.	H	α-helix	trans	-77.1	-23.1	-178.8	-62.4	-75.4	-177.2	0	0	113.4	I207 R221 G222	I207-E225 HydrophobicContact CD1-CB 3.53Å; I207-E225 HydrophobicContact CD1-CG 3.64Å; R221-E225 HydrophobicContact CG-CG 4.27Å; R221-E225 WeakPolarHBondContact O-CG 3.48Å; R221-E225 PolarHBondContact O-N 2.88Å; G222-E225 PolarHBondContact O-N 3.21Å
226	A	98.7	Very high	98.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	13%	0.133	C	C	.	.			trans	-60.9	146.1	177.9	0	0	0	0	0	112.9	I147 I178 G222 I231 R328	I147-A226 HydrophobicContact CD1-CB 4.36Å; I178-A226 VanDerWaalsContact CD1-CA 3.47Å; I178-A226 HydrophobicContact CD1-CB 3.79Å; G222-A226 WeakPolarHBondContact O-CB 3.35Å; G222-A226 PolarHBondContact O-N 2.81Å; A226-I231 HydrophobicContact CB-CG2 3.63Å; A226-R328 WeakPolarHBondContact O-CD 3.01Å; A226-R328 PolarHBondContact O-NE 3.45Å; A226-R328 PolarHBondContact O-NH2 3.39Å; A226-R328 VanDerWaalsContact O-NH2 3.17Å
227	T	98.4	Very high	98.3	Very high	91 Å²	91	28.3 Å²	28.3	56%	0.558	14%	0.138	S	C	*	.			trans	-118.2	-2	177.8	54.8	0	0	0	0	113.9	H175 E176	H175-T227 PolarHBondContact CD2-OG1 2.73Å; H175-T227 PolarHBondContact NE2-OG1 2.72Å; E176-T227 PolarHBondContact OE1-N 3.47Å; E176-T227 PolarHBondContact OE1-OG1 3.49Å; E176-T227 VanDerWaalsContact OE1-OG1 3.13Å
228	G	98.4	Very high	98.5	Very high	5 Å²	5	24.8 Å²	24.8	5%	0.052	13%	0.125	C	C	.	.	S	Bend	trans	-72.4	158.3	173.3	0	0	0	0	0	112.8	S145 H175 R328	S145-G228 VanDerWaalsContact OG-CA 3.28Å; S145-G228 WeakPolarHBondContact OG-CA 3.26Å; S145-G228 PolarHBondContact OG-N 3.35Å; H175-G228 PolarHBondContact CD2-N 3.11Å; H175-G228 VanDerWaalsContact CD2-N 3.3Å; G228-R328 WeakPolarHBondContact O-CD 3.15Å
229	E	98.5	Very high	98.5	Very high	75 Å²	75	25 Å²	25	35%	0.35	13%	0.125	S	C	.	.	S	Bend	trans	-71.2	-37.6	177.4	-63.7	172.3	-89.4	0	0	111.3	R45 P142 R143 N327 R328	R45-E229 IonicContact CZ-OE1 2.89Å; R45-E229 IonicContact CZ-OE2 3.14Å; R45-E229 IonicContact NE-OE1 3.96Å; R45-E229 IonicContact NE-OE2 2.72Å; R45-E229 IonicContact NH1-OE1 3.32Å; R45-E229 IonicContact NH2-OE1 3.51Å; R45-E229 PolarHBondContact NH2-OE1 3.45Å; R45-E229 IonicContact NH2-OE2 2.96Å; R45-E229 PolarHBondContact NH2-OE2 3.03Å; P142-E229 HydrophobicContact CB-CB 3.93Å; R143-E229 PolarHBondContact N-OE1 3.03Å; R143-E229 PolarHBondContact O-N 3.01Å; E229-N327 PolarHBondContact O-ND2 3.18Å; E229-N327 VanDerWaalsContact O-ND2 3.13Å; E229-R328 PolarHBondContact O-N 3.16Å
230	V	98.9	Very high	98.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.3	172.2	170.4	0	0	0	0	109	P142 R143 T144 S145 V232 L249 I252 A325 I326	P142-V230 HydrophobicContact CB-CG2 3.84Å; P142-V230 HydrophobicContact CG-CB 4.42Å; P142-V230 HydrophobicContact CG-CG2 3.51Å; R143-V230 PolarHBondContact O-N 2.98Å; R143-V230 VanDerWaalsContact O-N 3.09Å; T144-V230 CarbonylContact C-O 3.57Å; T144-V230 VanDerWaalsContact CA-O 3.3Å; T144-V230 WeakPolarHBondContact CA-O 3.49Å; T144-V230 HydrophobicContact CG2-CG1 4.45Å; S145-V230 PolarHBondContact N-O 2.9Å; V230-V232 HydrophobicContact CG1-CG2 4.47Å; V230-L249 HydrophobicContact CB-CD2 4.06Å; V230-L249 HydrophobicContact CG1-CD2 3.6Å; V230-L249 HydrophobicContact CG2-CD2 4.3Å; V230-I252 HydrophobicContact CG1-CD1 4.02Å; V230-I252 HydrophobicContact CG2-CD1 4.46Å; V230-I252 HydrophobicContact CG2-CG2 3.86Å; V230-A325 HydrophobicContact CG1-CB 4.16Å; V230-I326 WeakPolarHBondContact CG1-O 3.49Å
231	I	98.9	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.6	167.3	54	176.1	0	0	0	109.4	S145 I147 A223 A226 F233 A325 I326 R328 F331	S145-I231 CarbonylContact O-C 3.52Å; S145-I231 VanDerWaalsContact O-CA 3.31Å; S145-I231 WeakPolarHBondContact O-CA 3.48Å; I147-I231 HydrophobicContact CD1-CB 3.87Å; I147-I231 HydrophobicContact CD1-CD1 4.39Å; I147-I231 HydrophobicContact CD1-CG2 3.8Å; A223-I231 HydrophobicContact CB-CD1 3.6Å; A226-I231 HydrophobicContact CB-CG2 3.63Å; I231-F233 HydrophobicContact CD1-CE2 3.66Å; I231-F233 HydrophobicContact CD1-CZ 3.97Å; I231-F233 HydrophobicContact CG1-CE2 4.32Å; I231-A325 VanDerWaalsContact O-CA 3.31Å; I231-A325 WeakPolarHBondContact O-CA 3.43Å; I231-I326 HydrophobicContact CD1-CG2 3.95Å; I231-I326 HydrophobicContact CG1-CG2 3.64Å; I231-I326 WeakPolarHBondContact CG1-O 3.43Å; I231-I326 PolarHBondContact N-O 3.05Å; I231-I326 PolarHBondContact O-N 2.79Å; I231-R328 HydrophobicContact CG1-CB 4.42Å; I231-R328 HydrophobicContact CG2-CB 3.92Å; I231-R328 HydrophobicContact CG2-CG 3.81Å; I231-F331 HydrophobicContact CD1-CB 4.1Å; I231-F331 HydrophobicContact CD1-CD1 3.78Å; I231-F331 HydrophobicContact CD1-CE1 4.41Å; I231-F331 HydrophobicContact CD1-CG 3.97Å
232	V	98.9	Very high	98.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122	170.4	178.8	0	0	0	0	108.1	T144 S145 V146 I147 V230 L234 W244 L245 L248 F324 A325	T144-V232 HydrophobicContact CG2-CB 4.18Å; T144-V232 HydrophobicContact CG2-CG2 3.37Å; S145-V232 PolarHBondContact O-N 2.51Å; V146-V232 CarbonylContact C-O 3.57Å; V146-V232 WeakPolarHBondContact CA-O 3.21Å; V146-V232 HydrophobicContact CG2-CB 4.33Å; I147-V232 PolarHBondContact N-O 3.03Å; V230-V232 HydrophobicContact CG1-CG2 4.47Å; V232-L234 HydrophobicContact CG1-CD2 4.21Å; V232-L234 HydrophobicContact CG1-CG 4.12Å; V232-W244 HydrophobicContact CG1-CH2 3.9Å; V232-W244 HydrophobicContact CG1-CZ3 3.92Å; V232-L245 HydrophobicContact CG2-CD1 4.27Å; V232-L248 HydrophobicContact CG1-CD2 4.43Å; V232-L248 HydrophobicContact CG2-CD2 4.44Å; V232-F324 CarbonylContact C-O 3.48Å; V232-F324 WeakPolarHBondContact CA-O 3.12Å; V232-A325 HydrophobicContact CG2-CB 3.66Å
233	F	98.9	Very high	98.2	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.6	169.1	-68.9	-77.7	0	0	0	109.7	I147 R219 A223 I231 L323 F324 F331	I147-F233 HydrophobicContact CB-CD1 3.84Å; I147-F233 HydrophobicContact CB-CE1 3.96Å; I147-F233 HydrophobicContact CD1-CD1 4.25Å; I147-F233 HydrophobicContact CD1-CE1 3.66Å; I147-F233 HydrophobicContact CD1-CZ 3.93Å; I147-F233 HydrophobicContact CG1-CE1 4.45Å; I147-F233 HydrophobicContact CG2-CD1 3.88Å; I147-F233 HydrophobicContact CG2-CE1 3.78Å; R219-F233 HydrophobicContact CB-CD1 3.96Å; R219-F233 HydrophobicContact CB-CE1 3.45Å; R219-F233 VanDerWaalsContact CB-CE1 3.45Å; R219-F233 HydrophobicContact CB-CZ 4.03Å; R219-F233 HydrophobicContact CG-CD1 3.7Å; R219-F233 HydrophobicContact CG-CE1 3.73Å; R219-F233 WeakPolarHBondContact O-CE1 3.23Å; A223-F233 HydrophobicContact CB-CZ 4.04Å; I231-F233 HydrophobicContact CD1-CE2 3.66Å; I231-F233 HydrophobicContact CD1-CZ 3.97Å; I231-F233 HydrophobicContact CG1-CE2 4.32Å; F233-L323 WeakPolarHBondContact O-CA 3.31Å; F233-F324 HydrophobicContact CB-CD1 4.3Å; F233-F324 HydrophobicContact CB-CE1 4.03Å; F233-F324 HydrophobicContact CB-CZ 4.35Å; F233-F324 HydrophobicContact CD2-CD1 4.43Å; F233-F324 HydrophobicContact CD2-CD2 4.15Å; F233-F324 AromaticContact CD2-CE1 3.73Å; F233-F324 HydrophobicContact CD2-CE1 3.73Å; F233-F324 AromaticContact CD2-CE2 3.41Å; F233-F324 HydrophobicContact CD2-CE2 3.41Å; F233-F324 VanDerWaalsContact CD2-CE2 3.41Å; F233-F324 AromaticContact CD2-CZ 3.16Å; F233-F324 HydrophobicContact CD2-CZ 3.16Å; F233-F324 AromaticContact CE2-CE2 3.81Å; F233-F324 HydrophobicContact CE2-CE2 3.81Å; F233-F324 AromaticContact CE2-CZ 3.61Å; F233-F324 HydrophobicContact CE2-CZ 3.61Å; F233-F324 HydrophobicContact CG-CE1 4.15Å; F233-F324 HydrophobicContact CG-CZ 4.01Å; F233-F324 PolarHBondContact N-O 2.92Å; F233-F324 PolarHBondContact O-N 3.45Å; F233-F331 HydrophobicContact CE2-CE2 4.48Å; F233-F331 HydrophobicContact CE2-CZ 4.3Å; F233-F331 HydrophobicContact CZ-CE1 4.34Å; F233-F331 HydrophobicContact CZ-CZ 4.31Å
234	L	98.9	Very high	98.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.1	167.2	-63.8	178.4	0	0	0	109.3	V146 I147 I148 V165 V232 V240 W244 L323 V370	V146-L234 HydrophobicContact CG1-CD1 3.77Å; V146-L234 HydrophobicContact CG1-CG 4.12Å; I147-L234 PolarHBondContact O-N 3.34Å; I148-L234 WeakPolarHBondContact CA-O 3.49Å; I148-L234 HydrophobicContact CG1-CB 4.2Å; V165-L234 HydrophobicContact CG2-CD1 3.55Å; V232-L234 HydrophobicContact CG1-CD2 4.21Å; V232-L234 HydrophobicContact CG1-CG 4.12Å; L234-V240 HydrophobicContact CD1-CG1 3.7Å; L234-W244 HydrophobicContact CD1-CH2 4.06Å; L234-W244 HydrophobicContact CD2-CZ3 4.33Å; L234-L323 HydrophobicContact CB-CD2 4.32Å; L234-L323 HydrophobicContact CD2-CB 4.35Å; L234-L323 HydrophobicContact CD2-CD2 3.87Å; L234-V370 HydrophobicContact CD2-CG1 4.18Å; L234-V370 HydrophobicContact CD2-CG2 4.46Å
235	D	97.9	Very high	98.2	Very high	23 Å²	23	17.3 Å²	17.3	12%	0.123	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	157.3	166.1	-73.6	-16.9	0	0	0	110.2	R219 H237 L323 H372	R219-D235 IonicContact CZ-OD1 3.19Å; R219-D235 IonicContact NH2-OD1 2.66Å; R219-D235 PolarHBondContact NH2-OD1 3.04Å; D235-H237 PolarHBondContact O-N 3.3Å; D235-L323 HydrophobicContact CB-CD2 4.28Å; D235-L323 VanDerWaalsContact N-CD2 3.34Å; D235-H372 IonicContact OD2-CD2 2.74Å; D235-H372 IonicContact OD2-NE2 3.55Å; D235-H372 PolarHBondContact OD2-NE2 2.99Å
236	A	98	Very high	98.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.008	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	8.2	-173.6	0	0	0	0	0	115.3	I148 F150 E153 V157 L158 T161	I148-A236 HydrophobicContact CG2-CB 3.74Å; F150-A236 HydrophobicContact CB-CB 3.71Å; E153-A236 HydrophobicContact CB-CB 4.47Å; E153-A236 HydrophobicContact CG-CB 3.81Å; V157-A236 CarbonylContact C-O 3.56Å; L158-A236 WeakPolarHBondContact CA-O 3.38Å; L158-A236 HydrophobicContact CD1-CB 3.75Å; L158-A236 PolarHBondContact N-O 3.47Å; T161-A236 PolarHBondContact OG1-O 2.68Å
237	H	97.8	Very high	98.2	Very high	22 Å²	22	12.9 Å²	12.9	10%	0.102	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	50.2	-177.8	43.1	-89	0	0	0	111	M110 E153 V157 D235 H372 V373 R375	M110-H237 HydrophobicContact CE-CB 3.93Å; E153-H237 IonicContact OE2-CE1 4Å; E153-H237 IonicContact OE2-CG 2.65Å; E153-H237 IonicContact OE2-ND1 2.79Å; E153-H237 PolarHBondContact OE2-ND1 3.28Å; V157-H237 VanDerWaalsContact CG1-CA 3.41Å; V157-H237 HydrophobicContact CG1-CB 3.27Å; D235-H237 PolarHBondContact O-N 3.3Å; H237-H372 AromaticContact CD2-CE1 3.52Å; H237-H372 AromaticContact CD2-NE2 3.54Å; H237-H372 AromaticContact NE2-CE1 3.33Å; H237-H372 PolarHBondContact NE2-CE1 2.64Å; H237-H372 VanDerWaalsContact NE2-CE1 3.33Å; H237-H372 AromaticContact NE2-NE2 3.27Å; H237-H372 PolarHBondContact NE2-NE2 3Å; H237-V373 HydrophobicContact CB-CB 4.11Å; H237-V373 HydrophobicContact CB-CG2 4.21Å; H237-V373 PolarHBondContact CD2-O 3.43Å; H237-V373 VanDerWaalsContact CD2-O 3.24Å; H237-V373 WeakPolarHBondContact O-CG2 3.42Å; H237-V373 PolarHBondContact O-N 2.86Å; H237-R375 PolarHBondContact CE1-NH2 2.79Å; H237-R375 PolarHBondContact ND1-NH2 2.87Å
238	C	98.6	Very high	98.2	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.007	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.5	178.1	-73.2	0	0	0	0	113	T161 L323 V370 G371 H372	T161-C238 WeakPolarHBondContact CA-O 3.49Å; T161-C238 VanDerWaalsContact CB-O 3.31Å; T161-C238 WeakPolarHBondContact CB-O 3.25Å; T161-C238 HydrophobicContact CG2-CB 4.01Å; T161-C238 PolarHBondContact OG1-N 3.49Å; T161-C238 PolarHBondContact OG1-O 2.83Å; C238-L323 WeakPolarHBondContact SG-CD2 3.45Å; C238-V370 HydrophobicContact CB-CG1 3.87Å; C238-G371 CarbonylContact C-O 3.59Å; C238-G371 WeakPolarHBondContact CA-O 3.3Å; C238-G371 WeakPolarHBondContact CB-O 3.5Å; C238-H372 VanDerWaalsContact SG-CD2 3.53Å
239	E	98.7	Very high	98.2	Very high	3 Å²	3	8.3 Å²	8.3	1%	0.014	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	114.7	162.5	-73.2	177.1	-104	0	0	108.9	R122 V124 R160 I267 G371	R122-E239 IonicContact CZ-OE1 2.86Å; R122-E239 VanDerWaalsContact CZ-OE1 3.32Å; R122-E239 IonicContact CZ-OE2 3.45Å; R122-E239 IonicContact NE-OE1 2.77Å; R122-E239 PolarHBondContact NE-OE1 2.93Å; R122-E239 IonicContact NE-OE2 3.53Å; R122-E239 PolarHBondContact NE-OE2 2.78Å; R122-E239 IonicContact NH2-OE1 2.8Å; R122-E239 PolarHBondContact NH2-OE1 2.86Å; R122-E239 IonicContact NH2-OE2 3.25Å; V124-E239 HydrophobicContact CG1-CB 4.28Å; R160-E239 WeakPolarHBondContact CD-OE1 3.4Å; R160-E239 HydrophobicContact CG-CG 3.79Å; E239-I267 HydrophobicContact CB-CD1 3.95Å; E239-I267 HydrophobicContact CG-CD1 4.14Å; E239-G371 PolarHBondContact N-O 2.95Å; E239-G371 PolarHBondContact O-N 3.32Å
240	V	98.8	Very high	98.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	142.9	179.8	-57.8	0	0	0	0	110.8	S164 V165 R168 L234 W244 V370	S164-V240 VanDerWaalsContact C-CG2 3.48Å; S164-V240 WeakPolarHBondContact O-CG2 3.26Å; S164-V240 PolarHBondContact OG-N 2.74Å; V165-V240 HydrophobicContact CG2-CG1 3.98Å; V165-V240 HydrophobicContact CG2-CG2 4.33Å; R168-V240 HydrophobicContact CB-CG2 4.22Å; R168-V240 WeakPolarHBondContact CD-O 3.23Å; R168-V240 PolarHBondContact NH1-O 2.96Å; L234-V240 HydrophobicContact CD1-CG1 3.7Å; V240-W244 HydrophobicContact CB-CB 4.42Å; V240-W244 HydrophobicContact CB-CD2 3.56Å; V240-W244 HydrophobicContact CB-CE3 4.13Å; V240-W244 HydrophobicContact CB-CG 3.65Å; V240-W244 HydrophobicContact CB-CZ2 4.27Å; V240-W244 HydrophobicContact CG1-CD2 3.76Å; V240-W244 HydrophobicContact CG1-CE3 3.89Å; V240-W244 HydrophobicContact CG1-CG 4.38Å; V240-W244 HydrophobicContact CG1-CH2 3.95Å; V240-W244 HydrophobicContact CG1-CZ2 3.83Å; V240-W244 HydrophobicContact CG1-CZ3 3.98Å; V240-W244 HydrophobicContact CG2-CD2 4.11Å; V240-W244 HydrophobicContact CG2-CG 4.08Å; V240-W244 HydrophobicContact CG2-CZ2 4.31Å; V240-V370 HydrophobicContact CB-CG2 4.34Å; V240-V370 HydrophobicContact CG1-CG1 4.06Å; V240-V370 HydrophobicContact CG1-CG2 4Å
241	N	97.6	Very high	98.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.03	C	C	.	.			trans	-83.5	177.8	-178.3	-145.8	-51.9	0	0	0	112.2	V124 R125 T127 W244 Y274 R369	V124-N241 HydrophobicContact CG2-CB 4.47Å; R125-N241 PolarHBondContact O-ND2 3.09Å; R125-N241 PolarHBondContact O-OD1 2.88Å; T127-N241 PolarHBondContact OG1-ND2 3.46Å; N241-W244 WeakPolarHBondContact O-CB 3.34Å; N241-W244 VanDerWaalsContact O-CD1 3.31Å; N241-W244 PolarHBondContact O-N 3.41Å; N241-Y274 PolarHBondContact ND2-OH 3.35Å; N241-Y274 VanDerWaalsContact ND2-OH 3.11Å; N241-R369 HydrophobicContact CB-CB 3.69Å; N241-R369 VanDerWaalsContact CB-O 3.27Å; N241-R369 WeakPolarHBondContact CB-O 3.28Å; N241-R369 PolarHBondContact N-O 3.5Å
242	T	95.4	Very high	98.1	Very high	32 Å²	32	5.5 Å²	5.5	20%	0.196	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	135.1	173.8	-59.6	0	0	0	0	110.9	P75 R128 W244	P75-T242 HydrophobicContact CG-CG2 3.65Å; R128-T242 PolarHBondContact NE-O 2.92Å; T242-W244 PolarHBondContact O-N 2.83Å; T242-W244 VanDerWaalsContact O-N 3.1Å
243	N	95.2	Very high	98	Very high	9 Å²	9	6.5 Å²	6.5	5%	0.048	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	36	176.8	-166.6	21.1	0	0	0	113.3	F73 E74 P246 P247	F73-N243 VanDerWaalsContact CB-OD1 3.27Å; F73-N243 WeakPolarHBondContact CB-OD1 3.26Å; E74-N243 PolarHBondContact OE1-ND2 2.87Å; N243-P246 WeakPolarHBondContact OD1-CD 3.49Å; N243-P246 VanDerWaalsContact OD1-CG 3.28Å; N243-P246 WeakPolarHBondContact OD1-CG 3.23Å; N243-P247 WeakPolarHBondContact O-CD 3.5Å; N243-P247 WeakPolarHBondContact O-CG 3.37Å
244	W	98.5	Very high	97.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.			trans	-71.9	-32.9	-176.7	74.7	-70.6	0	0	0	113.4	V165 S169 V232 L234 V240 N241 T242 P247 L248 S368 V370	V165-W244 HydrophobicContact CG1-CZ2 4.38Å; V165-W244 HydrophobicContact CG2-CZ2 4.39Å; S169-W244 PolarHBondContact OG-NE1 2.84Å; S169-W244 VanDerWaalsContact OG-NE1 3.12Å; V232-W244 HydrophobicContact CG1-CH2 3.9Å; V232-W244 HydrophobicContact CG1-CZ3 3.92Å; L234-W244 HydrophobicContact CD1-CH2 4.06Å; L234-W244 HydrophobicContact CD2-CZ3 4.33Å; V240-W244 HydrophobicContact CB-CB 4.42Å; V240-W244 HydrophobicContact CB-CD2 3.56Å; V240-W244 HydrophobicContact CB-CE3 4.13Å; V240-W244 HydrophobicContact CB-CG 3.65Å; V240-W244 HydrophobicContact CB-CZ2 4.27Å; V240-W244 HydrophobicContact CG1-CD2 3.76Å; V240-W244 HydrophobicContact CG1-CE3 3.89Å; V240-W244 HydrophobicContact CG1-CG 4.38Å; V240-W244 HydrophobicContact CG1-CH2 3.95Å; V240-W244 HydrophobicContact CG1-CZ2 3.83Å; V240-W244 HydrophobicContact CG1-CZ3 3.98Å; V240-W244 HydrophobicContact CG2-CD2 4.11Å; V240-W244 HydrophobicContact CG2-CG 4.08Å; V240-W244 HydrophobicContact CG2-CZ2 4.31Å; N241-W244 WeakPolarHBondContact O-CB 3.34Å; N241-W244 VanDerWaalsContact O-CD1 3.31Å; N241-W244 PolarHBondContact O-N 3.41Å; T242-W244 PolarHBondContact O-N 2.83Å; T242-W244 VanDerWaalsContact O-N 3.1Å; W244-P247 WeakPolarHBondContact O-CG 3.17Å; W244-L248 HydrophobicContact CE3-CD2 4.08Å; W244-L248 HydrophobicContact CZ3-CD2 3.84Å; W244-L248 WeakPolarHBondContact O-CB 3.39Å; W244-S368 VanDerWaalsContact O-CB 3.26Å; W244-S368 WeakPolarHBondContact O-CB 3.5Å; W244-S368 PolarHBondContact O-OG 2.85Å; W244-V370 HydrophobicContact CE3-CG2 3.83Å; W244-V370 HydrophobicContact CZ3-CG2 4.3Å
245	L	98.8	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-80.4	-50.7	-167.7	-176.9	63.3	0	0	0	113.4	T144 M173 V232 L248 L249	T144-L245 HydrophobicContact CG2-CD1 4.18Å; M173-L245 HydrophobicContact CB-CD2 4.06Å; V232-L245 HydrophobicContact CG2-CD1 4.27Å; L245-L248 WeakPolarHBondContact O-CB 3.39Å; L245-L248 PolarHBondContact O-N 2.68Å; L245-L249 HydrophobicContact CD1-CD1 3.94Å; L245-L249 HydrophobicContact CD1-CD2 4.02Å; L245-L249 HydrophobicContact CD1-CG 3.82Å; L245-L249 HydrophobicContact CD2-CD1 4.35Å; L245-L249 HydrophobicContact CG-CD1 3.8Å; L245-L249 HydrophobicContact CG-CG 4.1Å; L245-L249 WeakPolarHBondContact O-CG 3.33Å; L245-L249 PolarHBondContact O-N 2.77Å
246	P	98.5	Very high	97.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-52	-48.5	178.9	-27.1	36.8	0	0	0	115.2	F73 Y137 L141 P170 M173 N243 L248 L249 A250	F73-P246 HydrophobicContact CB-CG 4.09Å; F73-P246 HydrophobicContact CD1-CG 4.27Å; F73-P246 HydrophobicContact CD2-CB 3.86Å; F73-P246 HydrophobicContact CD2-CG 3.9Å; F73-P246 HydrophobicContact CE2-CB 4.27Å; F73-P246 HydrophobicContact CE2-CG 4.43Å; F73-P246 HydrophobicContact CG-CB 4.28Å; F73-P246 HydrophobicContact CG-CG 3.82Å; Y137-P246 HydrophobicContact CD2-CB 3.94Å; Y137-P246 HydrophobicContact CG-CB 3.95Å; L141-P246 HydrophobicContact CD1-CB 3.87Å; P170-P246 HydrophobicContact CG-CG 3.93Å; M173-P246 HydrophobicContact CE-CG 4.21Å; M173-P246 HydrophobicContact SD-CG 4.02Å; N243-P246 WeakPolarHBondContact OD1-CD 3.49Å; N243-P246 VanDerWaalsContact OD1-CG 3.28Å; N243-P246 WeakPolarHBondContact OD1-CG 3.23Å; P246-L248 VanDerWaalsContact C-N 3.26Å; P246-L248 PolarHBondContact O-N 2.88Å; P246-L249 PolarHBondContact O-N 3.48Å; P246-A250 PolarHBondContact O-N 2.92Å; P246-A250 VanDerWaalsContact O-N 3.08Å
247	P	98.6	Very high	97.7	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.019	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-34.7	175.5	18.1	-28	0	0	0	113.2	Y137 N243 W244 L249 P251 V365 C367	Y137-P247 HydrophobicContact CE1-CB 3.81Å; Y137-P247 HydrophobicContact CE2-CB 4.39Å; Y137-P247 WeakPolarHBondContact OH-CB 3.41Å; N243-P247 WeakPolarHBondContact O-CD 3.5Å; N243-P247 WeakPolarHBondContact O-CG 3.37Å; W244-P247 WeakPolarHBondContact O-CG 3.17Å; P247-L249 VanDerWaalsContact C-N 3.33Å; P247-P251 WeakPolarHBondContact O-CD 3.4Å; P247-V365 HydrophobicContact CB-CG1 3.79Å; P247-V365 WeakPolarHBondContact O-CG1 3.23Å; P247-C367 HydrophobicContact CB-CB 3.87Å; P247-C367 HydrophobicContact CG-CB 4.14Å
248	L	98.7	Very high	97.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.7	-33.8	180	-164.2	65.9	0	0	0	111.8	V232 W244 L245 P246 T260 P262 A325 V365	V232-L248 HydrophobicContact CG1-CD2 4.43Å; V232-L248 HydrophobicContact CG2-CD2 4.44Å; W244-L248 HydrophobicContact CE3-CD2 4.08Å; W244-L248 HydrophobicContact CZ3-CD2 3.84Å; W244-L248 WeakPolarHBondContact O-CB 3.39Å; L245-L248 WeakPolarHBondContact O-CB 3.39Å; L245-L248 PolarHBondContact O-N 2.68Å; P246-L248 VanDerWaalsContact C-N 3.26Å; P246-L248 PolarHBondContact O-N 2.88Å; L248-T260 WeakPolarHBondContact CD1-OG1 3.5Å; L248-T260 WeakPolarHBondContact CG-OG1 3.36Å; L248-T260 WeakPolarHBondContact O-CB 3.45Å; L248-T260 WeakPolarHBondContact O-CG2 3.24Å; L248-T260 PolarHBondContact O-OG1 3.26Å; L248-P262 HydrophobicContact CD1-CB 4.31Å; L248-A325 HydrophobicContact CD2-CB 3.78Å; L248-A325 HydrophobicContact CG-CB 3.77Å; L248-V365 HydrophobicContact CD1-CB 4.49Å; L248-V365 HydrophobicContact CD1-CG2 4.31Å
249	L	98.8	Very high	97.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-83.2	-28.8	-179.4	-61.7	-178.9	0	0	0	113.7	L141 P142 T144 M173 V230 L245 P246 P247 I252 Y253	L141-L249 HydrophobicContact CB-CB 4.4Å; L141-L249 HydrophobicContact CB-CD1 4.24Å; L141-L249 HydrophobicContact CD1-CB 4.33Å; L141-L249 HydrophobicContact CD2-CB 4.18Å; P142-L249 HydrophobicContact CG-CB 4.41Å; P142-L249 HydrophobicContact CG-CD2 4.47Å; T144-L249 WeakPolarHBondContact OG1-CD1 3.38Å; T144-L249 WeakPolarHBondContact OG1-CD2 3.32Å; M173-L249 HydrophobicContact SD-CD1 4.24Å; V230-L249 HydrophobicContact CB-CD2 4.06Å; V230-L249 HydrophobicContact CG1-CD2 3.6Å; V230-L249 HydrophobicContact CG2-CD2 4.3Å; L245-L249 HydrophobicContact CD1-CD1 3.94Å; L245-L249 HydrophobicContact CD1-CD2 4.02Å; L245-L249 HydrophobicContact CD1-CG 3.82Å; L245-L249 HydrophobicContact CD2-CD1 4.35Å; L245-L249 HydrophobicContact CG-CD1 3.8Å; L245-L249 HydrophobicContact CG-CG 4.1Å; L245-L249 WeakPolarHBondContact O-CG 3.33Å; L245-L249 PolarHBondContact O-N 2.77Å; P246-L249 PolarHBondContact O-N 3.48Å; P247-L249 VanDerWaalsContact C-N 3.33Å; L249-I252 WeakPolarHBondContact O-CB 3.39Å; L249-I252 PolarHBondContact O-N 2.95Å; L249-I252 VanDerWaalsContact O-N 3.09Å; L249-Y253 PolarHBondContact O-N 2.69Å
250	A	98	Very high	97.8	Very high	7 Å²	7	19.4 Å²	19.4	6%	0.058	9%	0.088	C	C	.	.	H	α-helix	trans	-58.6	-41.2	-172.1	0	0	0	0	0	114.6	P64 Y137 L141 P246 I252 Y253 R254	P64-A250 HydrophobicContact CG-CB 3.68Å; Y137-A250 HydrophobicContact CD1-CB 3.91Å; Y137-A250 HydrophobicContact CE1-CB 4.43Å; L141-A250 HydrophobicContact CD2-CB 4.31Å; P246-A250 PolarHBondContact O-N 2.92Å; P246-A250 VanDerWaalsContact O-N 3.08Å; A250-I252 VanDerWaalsContact C-N 3.35Å; A250-I252 PolarHBondContact O-N 3.11Å; A250-Y253 PolarHBondContact O-N 2.71Å; A250-R254 PolarHBondContact O-N 3.05Å
251	P	97.7	Very high	97.8	Very high	6 Å²	6	19.4 Å²	19.4	4%	0.039	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-35.8	174.7	-23.1	34.9	0	0	0	113.5	P247 R254 D255 V258 T260 P313 V365	P247-P251 WeakPolarHBondContact O-CD 3.4Å; P251-R254 WeakPolarHBondContact O-CB 3.39Å; P251-R254 PolarHBondContact O-N 3.02Å; P251-D255 PolarHBondContact O-N 3.23Å; P251-V258 HydrophobicContact CB-CG1 3.94Å; P251-T260 HydrophobicContact CB-CG2 3.59Å; P251-T260 HydrophobicContact CG-CG2 3.69Å; P251-P313 HydrophobicContact CG-CB 4.44Å; P251-P313 HydrophobicContact CG-CG 3.96Å; P251-V365 HydrophobicContact CG-CG2 4.37Å
252	I	98.2	Very high	97.8	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-69.4	-37.6	176.9	-50.8	176.9	0	0	0	110.4	V230 L249 A250 R254 D255 R256 V258 T260 A325 N327	V230-I252 HydrophobicContact CG1-CD1 4.02Å; V230-I252 HydrophobicContact CG2-CD1 4.46Å; V230-I252 HydrophobicContact CG2-CG2 3.86Å; L249-I252 WeakPolarHBondContact O-CB 3.39Å; L249-I252 PolarHBondContact O-N 2.95Å; L249-I252 VanDerWaalsContact O-N 3.09Å; A250-I252 VanDerWaalsContact C-N 3.35Å; A250-I252 PolarHBondContact O-N 3.11Å; I252-R254 VanDerWaalsContact C-N 3.3Å; I252-R254 PolarHBondContact O-N 3.08Å; I252-D255 WeakPolarHBondContact CA-O 3.44Å; I252-D255 CarbonylContact O-C 3.57Å; I252-D255 PolarHBondContact O-N 2.99Å; I252-R256 PolarHBondContact O-N 3.05Å; I252-V258 WeakPolarHBondContact CG1-O 3.44Å; I252-T260 HydrophobicContact CD1-CG2 4.43Å; I252-T260 HydrophobicContact CG1-CG2 3.93Å; I252-A325 HydrophobicContact CD1-CB 3.67Å; I252-N327 HydrophobicContact CG2-CB 4.03Å
253	Y	96.4	Very high	97.9	Very high	21 Å²	21	18 Å²	18	8%	0.082	8%	0.08	C	C	.	.	H	α-helix	trans	-64.4	-35.3	173.4	179.5	-102.4	0	0	0	111.7	R61 P138 D140 L141 L249 A250	R61-Y253 HydrophobicContact CB-CD1 4.42Å; R61-Y253 HydrophobicContact CB-CE1 3.64Å; R61-Y253 WeakPolarHBondContact CD-O 3.42Å; R61-Y253 HydrophobicContact CG-CE1 3.87Å; R61-Y253 PolarHBondContact NH1-O 3.27Å; P138-Y253 HydrophobicContact CB-CD1 4.46Å; P138-Y253 HydrophobicContact CB-CE1 4.17Å; P138-Y253 HydrophobicContact CG-CD1 4.23Å; P138-Y253 HydrophobicContact CG-CE1 4.2Å; D140-Y253 VanDerWaalsContact CG-OH 3.25Å; D140-Y253 PolarHBondContact OD1-OH 3.23Å; D140-Y253 PolarHBondContact OD2-OH 2.9Å; L141-Y253 HydrophobicContact CD2-CD1 4.28Å; L141-Y253 HydrophobicContact CD2-CD2 4.45Å; L141-Y253 HydrophobicContact CD2-CG 3.89Å; L249-Y253 PolarHBondContact O-N 2.69Å; A250-Y253 PolarHBondContact O-N 2.71Å
254	R	94.7	Very high	98	Very high	135 Å²	135	18.2 Å²	18.2	51%	0.509	8%	0.081	S	C	.	.	H	α-helix	trans	-67.8	-46.1	172.1	180	-168.4	66.8	-156.5	-3.7	111.5	A250 P251 I252 E363	A250-R254 PolarHBondContact O-N 3.05Å; P251-R254 WeakPolarHBondContact O-CB 3.39Å; P251-R254 PolarHBondContact O-N 3.02Å; I252-R254 VanDerWaalsContact C-N 3.3Å; I252-R254 PolarHBondContact O-N 3.08Å; R254-E363 IonicContact CZ-OE1 3.63Å; R254-E363 IonicContact CZ-OE2 3.99Å; R254-E363 VanDerWaalsContact NH2-CD 3.31Å; R254-E363 IonicContact NH2-OE1 3.52Å; R254-E363 PolarHBondContact NH2-OE1 2.91Å; R254-E363 IonicContact NH2-OE2 3.74Å; R254-E363 PolarHBondContact NH2-OE2 3.36Å
255	D	96.7	Very high	98	Very high	62 Å²	62	18.2 Å²	18.2	33%	0.332	8%	0.081	S	C	.	.			trans	-145	114.7	-177.9	175.5	-2.6	0	0	0	110.1	P251 I252 T257 V258	P251-D255 PolarHBondContact O-N 3.23Å; I252-D255 WeakPolarHBondContact CA-O 3.44Å; I252-D255 CarbonylContact O-C 3.57Å; I252-D255 PolarHBondContact O-N 2.99Å; D255-T257 VanDerWaalsContact CG-OG1 3.29Å; D255-T257 PolarHBondContact O-N 3.17Å; D255-T257 WeakPolarHBondContact OD1-CB 3.34Å; D255-T257 PolarHBondContact OD1-N 3.3Å; D255-T257 PolarHBondContact OD1-OG1 3.2Å; D255-T257 PolarHBondContact OD2-OG1 3Å; D255-V258 HydrophobicContact CB-CG2 3.73Å; D255-V258 WeakPolarHBondContact O-CB 3.28Å; D255-V258 WeakPolarHBondContact O-CG2 3.29Å; D255-V258 PolarHBondContact O-N 3.14Å
256	R	97.5	Very high	97.9	Very high	98 Å²	98	18.6 Å²	18.6	37%	0.37	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.4	-175.8	76.2	174.6	-169.9	87	-6.3	113.6	I252 V258 N327 E333	I252-R256 PolarHBondContact O-N 3.05Å; R256-V258 VanDerWaalsContact C-N 3.31Å; R256-N327 HydrophobicContact CB-CB 4.13Å; R256-N327 VanDerWaalsContact O-CB 3.26Å; R256-N327 WeakPolarHBondContact O-CB 3.34Å; R256-E333 IonicContact CZ-OE1 3.06Å; R256-E333 IonicContact CZ-OE2 3.47Å; R256-E333 IonicContact NH1-OE1 2.86Å; R256-E333 IonicContact NH1-OE2 3.57Å; R256-E333 PolarHBondContact NH1-OE2 3.03Å; R256-E333 IonicContact NH2-OE1 3.98Å; R256-E333 PolarHBondContact NH2-OE1 3.41Å; R256-E333 IonicContact NH2-OE2 3.46Å; R256-E333 PolarHBondContact NH2-OE2 2.95Å
257	T	98.4	Very high	97.9	Very high	29 Å²	29	18.8 Å²	18.8	18%	0.178	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.1	-179.6	71.9	0	0	0	0	113.1	D255 Y330 G360 S361	D255-T257 VanDerWaalsContact CG-OG1 3.29Å; D255-T257 PolarHBondContact O-N 3.17Å; D255-T257 WeakPolarHBondContact OD1-CB 3.34Å; D255-T257 PolarHBondContact OD1-N 3.3Å; D255-T257 PolarHBondContact OD1-OG1 3.2Å; D255-T257 PolarHBondContact OD2-OG1 3Å; T257-Y330 HydrophobicContact CG2-CD2 4.2Å; T257-Y330 HydrophobicContact CG2-CE2 3.98Å; T257-Y330 VanDerWaalsContact O-CE1 3.31Å; T257-Y330 WeakPolarHBondContact O-CE1 3.37Å; T257-G360 VanDerWaalsContact O-CA 3.28Å; T257-G360 WeakPolarHBondContact O-CA 3.49Å; T257-S361 PolarHBondContact O-N 2.95Å
258	V	98.8	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.4	172	-178.5	0	0	0	0	109.4	P251 I252 D255 R256 T260 S361 E363	P251-V258 HydrophobicContact CB-CG1 3.94Å; I252-V258 WeakPolarHBondContact CG1-O 3.44Å; D255-V258 HydrophobicContact CB-CG2 3.73Å; D255-V258 WeakPolarHBondContact O-CB 3.28Å; D255-V258 WeakPolarHBondContact O-CG2 3.29Å; D255-V258 PolarHBondContact O-N 3.14Å; R256-V258 VanDerWaalsContact C-N 3.31Å; V258-T260 HydrophobicContact CG1-CG2 3.93Å; V258-S361 CarbonylContact C-O 3.49Å; V258-S361 WeakPolarHBondContact CA-O 3.31Å; V258-E363 HydrophobicContact CG1-CB 4.1Å; V258-E363 HydrophobicContact CG1-CG 3.96Å
259	M	98.9	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.5	161.9	-179.4	-175.5	94.8	0	0	108.6	V261 H319 F324 A325 I326 L351 I355 S361 I362 E363	M259-V261 HydrophobicContact CE-CG2 3.89Å; M259-H319 HydrophobicContact CE-CB 3.93Å; M259-F324 HydrophobicContact CE-CB 4.25Å; M259-F324 HydrophobicContact CE-CG 4.41Å; M259-F324 HydrophobicContact CG-CB 4.16Å; M259-F324 HydrophobicContact CG-CD2 3.75Å; M259-F324 HydrophobicContact CG-CG 4.31Å; M259-F324 HydrophobicContact SD-CB 4.21Å; M259-F324 HydrophobicContact SD-CD2 3.5Å; M259-F324 WeakPolarHBondContact SD-CD2 3.38Å; M259-F324 HydrophobicContact SD-CE2 3.97Å; M259-F324 HydrophobicContact SD-CG 3.94Å; M259-A325 CarbonylContact C-O 3.56Å; M259-A325 WeakPolarHBondContact CA-O 3.43Å; M259-A325 WeakPolarHBondContact CG-O 3.49Å; M259-I326 HydrophobicContact CB-CB 4.4Å; M259-I326 HydrophobicContact CB-CD1 4.13Å; M259-I326 HydrophobicContact CB-CG1 4.27Å; M259-I326 HydrophobicContact CG-CB 4.18Å; M259-I326 HydrophobicContact CG-CD1 4.37Å; M259-L351 HydrophobicContact SD-CD2 3.82Å; M259-L351 HydrophobicContact SD-CG 4.29Å; M259-I355 HydrophobicContact CB-CD1 3.77Å; M259-I355 HydrophobicContact CE-CD1 4.44Å; M259-I355 HydrophobicContact CG-CD1 4.24Å; M259-I355 HydrophobicContact SD-CD1 3.49Å; M259-I355 WeakPolarHBondContact SD-CD1 3.24Å; M259-S361 PolarHBondContact N-O 3.39Å; M259-I362 HydrophobicContact CB-CG1 4.41Å; M259-I362 HydrophobicContact CE-CB 4.39Å; M259-I362 HydrophobicContact CE-CD1 3.82Å; M259-I362 HydrophobicContact CE-CG1 3.83Å; M259-I362 HydrophobicContact CE-CG2 3.73Å; M259-I362 CarbonylContact O-C 3.5Å; M259-I362 WeakPolarHBondContact O-CA 3.26Å; M259-E363 PolarHBondContact O-N 3.24Å
260	T	98.9	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.9	179.7	55.9	0	0	0	0	112.3	L248 P251 I252 V258 F324 A325 E363 V365	L248-T260 WeakPolarHBondContact CD1-OG1 3.5Å; L248-T260 WeakPolarHBondContact CG-OG1 3.36Å; L248-T260 WeakPolarHBondContact O-CB 3.45Å; L248-T260 WeakPolarHBondContact O-CG2 3.24Å; L248-T260 PolarHBondContact O-OG1 3.26Å; P251-T260 HydrophobicContact CB-CG2 3.59Å; P251-T260 HydrophobicContact CG-CG2 3.69Å; I252-T260 HydrophobicContact CD1-CG2 4.43Å; I252-T260 HydrophobicContact CG1-CG2 3.93Å; V258-T260 HydrophobicContact CG1-CG2 3.93Å; T260-F324 CarbonylContact O-C 3.45Å; T260-F324 VanDerWaalsContact O-CA 3.23Å; T260-F324 WeakPolarHBondContact O-CA 3.48Å; T260-F324 WeakPolarHBondContact O-CB 3.32Å; T260-A325 PolarHBondContact N-O 3.4Å; T260-A325 PolarHBondContact O-N 2.92Å; T260-A325 WeakPolarHBondContact OG1-CB 3.27Å; T260-E363 CarbonylContact C-O 3.08Å; T260-E363 WeakPolarHBondContact CA-O 3.5Å; T260-V365 HydrophobicContact CG2-CG2 3.97Å
261	V	98.9	Very high	97.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.3	-178.3	-177.5	0	0	0	0	108.3	M259 H319 F324 I362 E363 W364 V365	M259-V261 HydrophobicContact CE-CG2 3.89Å; V261-H319 HydrophobicContact CG2-CB 3.73Å; V261-F324 HydrophobicContact CG2-CB 4.2Å; V261-I362 HydrophobicContact CG2-CG2 3.93Å; V261-E363 PolarHBondContact N-O 2.81Å; V261-W364 HydrophobicContact CB-CD2 4.46Å; V261-W364 HydrophobicContact CB-CG 4.09Å; V261-W364 HydrophobicContact CG1-CD2 4.28Å; V261-W364 HydrophobicContact CG1-CG 4.42Å; V261-W364 HydrophobicContact CG1-CZ2 4.41Å; V261-W364 CarbonylContact O-C 3.53Å; V261-W364 WeakPolarHBondContact O-CA 3.22Å; V261-V365 PolarHBondContact O-N 3.42Å
262	P	98.6	Very high	97.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	157.6	172.6	31.9	-34.7	0	0	0	110.3	L248 I264 L323 S368 V370	L248-P262 HydrophobicContact CD1-CB 4.31Å; P262-I264 PolarHBondContact O-N 3.04Å; P262-L323 HydrophobicContact CG-CB 4.01Å; P262-S368 CarbonylContact C-O 3.57Å; P262-S368 WeakPolarHBondContact CA-O 3.27Å; P262-S368 WeakPolarHBondContact CB-O 3.47Å; P262-V370 HydrophobicContact CB-CB 4.45Å; P262-V370 HydrophobicContact CB-CG2 3.84Å; P262-V370 HydrophobicContact CG-CB 4.27Å; P262-V370 HydrophobicContact CG-CG2 3.79Å
263	I	97.8	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.4	164.8	-53.7	-55.9	0	0	0	108.2	D265 V277 Y278 Y314 W364 S368 R369 V370	I263-D265 PolarHBondContact O-N 2.98Å; I263-V277 HydrophobicContact CG2-CG1 4.14Å; I263-Y278 HydrophobicContact CG2-CD2 4.47Å; I263-Y278 HydrophobicContact CG2-CE2 4.24Å; I263-Y314 WeakPolarHBondContact CD1-OH 3.39Å; I263-W364 HydrophobicContact CD1-CE3 3.81Å; I263-W364 HydrophobicContact CD1-CZ3 4.47Å; I263-S368 PolarHBondContact N-O 2.84Å; I263-R369 WeakPolarHBondContact O-CA 3.42Å; I263-V370 PolarHBondContact O-N 3.17Å
264	I	97.5	Very high	97.5	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.077	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	103.6	-174.6	-49.4	-174	0	0	0	108.5	P262 V277 A320 L323 V370 H372	P262-I264 PolarHBondContact O-N 3.04Å; I264-V277 WeakPolarHBondContact O-CB 3.43Å; I264-V277 WeakPolarHBondContact O-CG1 3.25Å; I264-A320 HydrophobicContact CD1-CB 4.11Å; I264-L323 HydrophobicContact CB-CD1 4.46Å; I264-L323 HydrophobicContact CD1-CB 4.29Å; I264-L323 HydrophobicContact CD1-CD1 3.97Å; I264-L323 HydrophobicContact CD1-CG 4.13Å; I264-L323 HydrophobicContact CG1-CD1 3.96Å; I264-L323 HydrophobicContact CG2-CD1 3.88Å; I264-V370 CarbonylContact C-O 3.59Å; I264-V370 WeakPolarHBondContact CA-O 3.3Å; I264-H372 HydrophobicContact CG2-CB 3.62Å
265	D	97.3	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	161.4	174.4	-69.4	-26.6	0	0	0	110.6	T127 I263 Y274 R275 P276 R369 V370 G371 H372	T127-D265 WeakPolarHBondContact CB-OD2 3.29Å; T127-D265 PolarHBondContact OG1-OD2 3.29Å; I263-D265 PolarHBondContact O-N 2.98Å; D265-Y274 HydrophobicContact CB-CE1 3.66Å; D265-Y274 WeakPolarHBondContact CB-OH 3.32Å; D265-Y274 VanDerWaalsContact OD2-CE1 3.23Å; D265-Y274 WeakPolarHBondContact OD2-CE1 3.5Å; D265-Y274 PolarHBondContact OD2-OH 2.8Å; D265-R275 WeakPolarHBondContact CB-O 3.39Å; D265-P276 WeakPolarHBondContact OD1-CA 3.43Å; D265-R369 IonicContact OD1-NH1 3.06Å; D265-R369 PolarHBondContact OD1-NH1 3.06Å; D265-R369 WeakPolarHBondContact OD2-CD 3.32Å; D265-V370 PolarHBondContact N-O 2.86Å; D265-G371 CarbonylContact O-C 3.46Å; D265-G371 WeakPolarHBondContact O-CA 3.44Å; D265-H372 PolarHBondContact O-N 3.41Å
266	G	96.7	Very high	97.5	Very high	8 Å²	8	29 Å²	29	8%	0.082	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.5	179.9	0	0	0	0	0	112.4	R275	G266-R275 PolarHBondContact N-O 2.97Å; G266-R275 PolarHBondContact O-N 2.98Å
267	I	98	Very high	97.1	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.4	162.4	-55.1	176.1	0	0	0	107.9	E239 H269 F272 E273 Y274 H372 V373	E239-I267 HydrophobicContact CB-CD1 3.95Å; E239-I267 HydrophobicContact CG-CD1 4.14Å; I267-H269 PolarHBondContact O-N 2.86Å; I267-F272 HydrophobicContact CG2-CB 4.41Å; I267-F272 HydrophobicContact CG2-CD1 4.07Å; I267-F272 HydrophobicContact CG2-CG 4.48Å; I267-E273 VanDerWaalsContact CA-O 3.31Å; I267-E273 WeakPolarHBondContact CA-O 3.43Å; I267-Y274 HydrophobicContact CD1-CD2 4.11Å; I267-Y274 HydrophobicContact CG1-CD2 3.9Å; I267-H372 PolarHBondContact N-O 3.47Å; I267-V373 HydrophobicContact CB-CG2 3.77Å; I267-V373 HydrophobicContact CD1-CG2 4.4Å; I267-V373 HydrophobicContact CG2-CG2 3.78Å; I267-V373 WeakPolarHBondContact O-CA 3.4Å
268	D	97	Very high	96.6	Very high	27 Å²	27	27.5 Å²	27.5	14%	0.144	13%	0.134	C	C	.	.			trans	-69.1	127.2	-178.6	-165.7	-77.1	0	0	0	111.2	K270 N271 F272 E273 R275	D268-K270 PolarHBondContact O-N 2.84Å; D268-K270 VanDerWaalsContact O-N 3.16Å; D268-K270 WeakPolarHBondContact OD1-CB 3.46Å; D268-K270 PolarHBondContact OD1-N 3.5Å; D268-N271 WeakPolarHBondContact CB-OD1 3.37Å; D268-F272 VanDerWaalsContact O-CA 3.25Å; D268-F272 WeakPolarHBondContact O-CA 3.35Å; D268-F272 PolarHBondContact O-N 2.82Å; D268-E273 HydrophobicContact CB-CB 4.23Å; D268-E273 PolarHBondContact N-O 3.45Å; D268-R275 IonicContact OD2-CZ 3.23Å; D268-R275 IonicContact OD2-NH1 3.22Å; D268-R275 PolarHBondContact OD2-NH1 2.79Å; D268-R275 VanDerWaalsContact OD2-NH1 3.15Å; D268-R275 IonicContact OD2-NH2 2.67Å; D268-R275 PolarHBondContact OD2-NH2 2.85Å
269	H	96.2	Very high	95.7	Very high	43 Å²	43	31.6 Å²	31.6	20%	0.199	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.2	-175.4	65.1	-94.3	0	0	0	113.9	M110 N111 I267 V373 Y374	M110-H269 CarbonylContact C-O 3.58Å; M110-H269 WeakPolarHBondContact CA-O 3.39Å; M110-H269 HydrophobicContact CB-CB 3.78Å; N111-H269 WeakPolarHBondContact CB-O 3.15Å; N111-H269 PolarHBondContact N-O 2.77Å; I267-H269 PolarHBondContact O-N 2.86Å; H269-V373 HydrophobicContact CB-CG1 3.76Å; H269-Y374 WeakPolarHBondContact CB-O 3.43Å; H269-Y374 PolarHBondContact ND1-O 2.81Å
270	K	95.7	Very high	94.9	Very high	111 Å²	111	35.2 Å²	35.2	48%	0.483	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-42.9	-178.8	-63.3	-171.8	173.2	179	0	113.3	E105 N111 D268	E105-K270 WeakPolarHBondContact OE2-CE 3.28Å; N111-K270 VanDerWaalsContact CB-O 3.32Å; N111-K270 WeakPolarHBondContact CB-O 3.34Å; N111-K270 PolarHBondContact ND2-O 2.84Å; D268-K270 PolarHBondContact O-N 2.84Å; D268-K270 VanDerWaalsContact O-N 3.16Å; D268-K270 WeakPolarHBondContact OD1-CB 3.46Å; D268-K270 PolarHBondContact OD1-N 3.5Å
271	N	96.7	Very high	94	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.214	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	3.1	-172.2	67.8	13.3	0	0	0	113.6	A90 H91 D268 E273	A90-N271 HydrophobicContact CB-CB 4.22Å; H91-N271 PolarHBondContact N-O 2.81Å; H91-N271 WeakPolarHBondContact O-CA 3.26Å; H91-N271 VanDerWaalsContact O-CB 3.28Å; H91-N271 WeakPolarHBondContact O-CB 3.37Å; D268-N271 WeakPolarHBondContact CB-OD1 3.37Å; N271-E273 PolarHBondContact O-N 3.48Å; N271-E273 VanDerWaalsContact O-N 3.13Å; N271-E273 WeakPolarHBondContact OD1-CB 3.37Å; N271-E273 PolarHBondContact OD1-N 3.36Å; N271-E273 VanDerWaalsContact OD1-N 3.12Å
272	F	97.3	Very high	93.6	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.248	C	C	.	.			trans	59.5	21.2	176.7	-79.1	-101.6	0	0	0	115	M110 N111 C114 S115 I118 R122 V157 I267 D268 Y274 V373	M110-F272 HydrophobicContact SD-CZ 4.45Å; N111-F272 WeakPolarHBondContact O-CE2 3.33Å; C114-F272 HydrophobicContact CB-CD2 4.27Å; S115-F272 VanDerWaalsContact CB-CZ 3.41Å; S115-F272 VanDerWaalsContact OG-CE1 3.24Å; S115-F272 WeakPolarHBondContact OG-CE1 3.42Å; S115-F272 WeakPolarHBondContact OG-CZ 3.4Å; I118-F272 HydrophobicContact CD1-CB 3.44Å; I118-F272 VanDerWaalsContact CD1-CB 3.44Å; I118-F272 HydrophobicContact CD1-CG 3.97Å; R122-F272 PolarHBondContact NH1-O 3.4Å; R122-F272 PolarHBondContact NH2-O 3.24Å; V157-F272 HydrophobicContact CG2-CE1 3.88Å; V157-F272 HydrophobicContact CG2-CZ 3.69Å; I267-F272 HydrophobicContact CG2-CB 4.41Å; I267-F272 HydrophobicContact CG2-CD1 4.07Å; I267-F272 HydrophobicContact CG2-CG 4.48Å; D268-F272 VanDerWaalsContact O-CA 3.25Å; D268-F272 WeakPolarHBondContact O-CA 3.35Å; D268-F272 PolarHBondContact O-N 2.82Å; F272-Y274 PolarHBondContact O-N 2.99Å; F272-V373 HydrophobicContact CE1-CG2 4.28Å
273	E	97.7	Very high	93.5	Very high	64 Å²	64	45.1 Å²	45.1	30%	0.299	25%	0.251	S	S	.	.			trans	-60	128.2	169.3	-174.7	-170.3	-145.9	0	0	110	G88 A90 I267 D268 N271 R275	G88-E273 CarbonylContact O-C 3.59Å; G88-E273 WeakPolarHBondContact O-CA 3.49Å; A90-E273 HydrophobicContact CB-CB 3.98Å; A90-E273 HydrophobicContact CB-CG 4.39Å; I267-E273 VanDerWaalsContact CA-O 3.31Å; I267-E273 WeakPolarHBondContact CA-O 3.43Å; D268-E273 HydrophobicContact CB-CB 4.23Å; D268-E273 PolarHBondContact N-O 3.45Å; N271-E273 PolarHBondContact O-N 3.48Å; N271-E273 VanDerWaalsContact O-N 3.13Å; N271-E273 WeakPolarHBondContact OD1-CB 3.37Å; N271-E273 PolarHBondContact OD1-N 3.36Å; N271-E273 VanDerWaalsContact OD1-N 3.12Å; E273-R275 IonicContact OE2-NH1 3.74Å; E273-R275 PolarHBondContact OE2-NH1 3.16Å
274	Y	97.8	Very high	93.4	Very high	8 Å²	8	47 Å²	47	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.5	173.9	-173.1	-67.4	0	0	0	109.4	G88 V124 T127 N241 D265 I267 F272 G371	G88-Y274 PolarHBondContact O-N 2.86Å; V124-Y274 HydrophobicContact CB-CD2 3.88Å; V124-Y274 HydrophobicContact CB-CE2 4.15Å; V124-Y274 HydrophobicContact CB-CG 4.14Å; V124-Y274 HydrophobicContact CG1-CD2 3.71Å; V124-Y274 HydrophobicContact CG1-CE2 4.19Å; V124-Y274 HydrophobicContact CG1-CG 4.28Å; V124-Y274 HydrophobicContact CG2-CE2 4.29Å; T127-Y274 HydrophobicContact CG2-CD1 4.09Å; T127-Y274 HydrophobicContact CG2-CE1 3.69Å; N241-Y274 PolarHBondContact ND2-OH 3.35Å; N241-Y274 VanDerWaalsContact ND2-OH 3.11Å; D265-Y274 HydrophobicContact CB-CE1 3.66Å; D265-Y274 WeakPolarHBondContact CB-OH 3.32Å; D265-Y274 VanDerWaalsContact OD2-CE1 3.23Å; D265-Y274 WeakPolarHBondContact OD2-CE1 3.5Å; D265-Y274 PolarHBondContact OD2-OH 2.8Å; I267-Y274 HydrophobicContact CD1-CD2 4.11Å; I267-Y274 HydrophobicContact CG1-CD2 3.9Å; F272-Y274 PolarHBondContact O-N 2.99Å; Y274-G371 PolarHBondContact OH-N 3.41Å
275	R	96	Very high	93.4	Very high	105 Å²	105	46.3 Å²	46.3	40%	0.396	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.1	-177.6	60	-177.2	176.3	-125.4	-3.9	113	D265 G266 D268 E273	D265-R275 WeakPolarHBondContact CB-O 3.39Å; G266-R275 PolarHBondContact N-O 2.97Å; G266-R275 PolarHBondContact O-N 2.98Å; D268-R275 IonicContact OD2-CZ 3.23Å; D268-R275 IonicContact OD2-NH1 3.22Å; D268-R275 PolarHBondContact OD2-NH1 2.79Å; D268-R275 VanDerWaalsContact OD2-NH1 3.15Å; D268-R275 IonicContact OD2-NH2 2.67Å; D268-R275 PolarHBondContact OD2-NH2 2.85Å; E273-R275 IonicContact OE2-NH1 3.74Å; E273-R275 PolarHBondContact OE2-NH1 3.16Å
276	P	95.3	Very high	93.4	Very high	56 Å²	56	46.3 Å²	46.3	36%	0.364	26%	0.256	S	S	.	.			trans	-61.1	141.9	173.9	28	-34.5	0	0	0	110.7	T127 D265	T127-P276 HydrophobicContact CG2-CB 4.38Å; D265-P276 WeakPolarHBondContact OD1-CA 3.43Å
277	V	89.4	Confident	93.5	Very high	59 Å²	59	46 Å²	46	36%	0.358	25%	0.252	S	S	.	.	S	Bend	trans	-73	-29.4	-179.5	63.8	0	0	0	0	113	I263 I264	I263-V277 HydrophobicContact CG2-CG1 4.14Å; I264-V277 WeakPolarHBondContact O-CB 3.43Å; I264-V277 WeakPolarHBondContact O-CG1 3.25Å
278	Y	89.1	Confident	93.5	Very high	35 Å²	35	45.8 Å²	45.8	14%	0.137	25%	0.251	C	S	.	.			trans	-110	131.3	178.7	-51.7	-53.9	0	0	0	109.9	I263 T280 F284 E296	I263-Y278 HydrophobicContact CG2-CD2 4.47Å; I263-Y278 HydrophobicContact CG2-CE2 4.24Å; Y278-T280 VanDerWaalsContact C-N 3.27Å; Y278-T280 PolarHBondContact O-N 3.13Å; Y278-F284 AromaticContact CD1-CD2 3.4Å; Y278-F284 HydrophobicContact CD1-CD2 3.4Å; Y278-F284 AromaticContact CD1-CE2 3.63Å; Y278-F284 HydrophobicContact CD1-CE2 3.63Å; Y278-F284 HydrophobicContact CD1-CG 4.05Å; Y278-F284 HydrophobicContact CD1-CZ 4.42Å; Y278-F284 AromaticContact CD2-CD2 3.81Å; Y278-F284 HydrophobicContact CD2-CD2 3.81Å; Y278-F284 HydrophobicContact CD2-CE2 4.47Å; Y278-F284 HydrophobicContact CE1-CB 3.92Å; Y278-F284 HydrophobicContact CE1-CD1 4.43Å; Y278-F284 AromaticContact CE1-CD2 3.52Å; Y278-F284 HydrophobicContact CE1-CD2 3.52Å; Y278-F284 HydrophobicContact CE1-CE2 4.15Å; Y278-F284 AromaticContact CE1-CG 3.7Å; Y278-F284 HydrophobicContact CE1-CG 3.7Å; Y278-F284 HydrophobicContact CE2-CB 4.05Å; Y278-F284 AromaticContact CE2-CD2 3.92Å; Y278-F284 HydrophobicContact CE2-CD2 3.92Å; Y278-F284 HydrophobicContact CE2-CG 4.36Å; Y278-F284 AromaticContact CG-CD2 3.56Å; Y278-F284 HydrophobicContact CG-CD2 3.56Å; Y278-F284 AromaticContact CG-CE2 3.82Å; Y278-F284 HydrophobicContact CG-CE2 3.82Å; Y278-F284 AromaticContact CZ-CD2 3.8Å; Y278-F284 AromaticContact CZ-CG 3.89Å; Y278-E296 VanDerWaalsContact CE1-OE2 3.3Å; Y278-E296 WeakPolarHBondContact CE1-OE2 3.24Å; Y278-E296 PolarHBondContact OH-OE1 2.92Å; Y278-E296 PolarHBondContact OH-OE2 3.03Å
279	G	79.8	Confident	93.5	Very high	86 Å²	86	45 Å²	45	89%	0.887	25%	0.246	S	C	*	.	S	Bend	trans	-84.9	6.5	178.5	0	0	0	0	0	114.6
280	T	81	Confident	93.6	Very high	77 Å²	77	43.2 Å²	43.2	47%	0.472	24%	0.238	S	C	.	.	S	Bend	trans	-132.6	165.6	-178.3	66	0	0	0	0	110.1	Y278 N282	Y278-T280 VanDerWaalsContact C-N 3.27Å; Y278-T280 PolarHBondContact O-N 3.13Å; T280-N282 PolarHBondContact O-N 3.12Å; T280-N282 WeakPolarHBondContact OG1-CB 3.32Å; T280-N282 PolarHBondContact OG1-N 3.39Å
281	D	80.7	Confident	93.6	Very high	123 Å²	123	38 Å²	38	66%	0.658	22%	0.216	S	C	*	.	S	Bend	trans	-76.8	3.7	173	-63.2	-32.7	0	0	0	113.1	N310	D281-N310 PolarHBondContact O-ND2 2.85Å
282	N	90.7	Very high	93.6	Very high	73 Å²	73	36.2 Å²	36.2	39%	0.39	21%	0.207	S	C	.	.			trans	-73.7	138.2	176.1	-66.9	-11.8	0	0	0	109.9	T280 F284 E298	T280-N282 PolarHBondContact O-N 3.12Å; T280-N282 WeakPolarHBondContact OG1-CB 3.32Å; T280-N282 PolarHBondContact OG1-N 3.39Å; N282-F284 HydrophobicContact CB-CE2 4.23Å; N282-E298 PolarHBondContact ND2-OE1 3.33Å
283	H	95.2	Very high	93.6	Very high	13 Å²	13	39 Å²	39	6%	0.06	22%	0.222	C	C	.	.			trans	-88.5	151.1	171.7	-65.6	-65.8	0	0	0	110.9	E298 V299 R307 N310 Y314	H283-E298 CarbonylContact O-C 3.57Å; H283-E298 WeakPolarHBondContact O-CA 3.41Å; H283-V299 HydrophobicContact CB-CB 4.17Å; H283-V299 HydrophobicContact CB-CG2 3.52Å; H283-V299 PolarHBondContact O-N 2.82Å; H283-R307 PolarHBondContact CD2-NH1 3.42Å; H283-R307 PolarHBondContact CD2-NH2 2.77Å; H283-N310 PolarHBondContact CD2-OD1 3.12Å; H283-N310 VanDerWaalsContact NE2-CG 3.34Å; H283-N310 PolarHBondContact NE2-ND2 2.86Å; H283-N310 PolarHBondContact NE2-O 3.09Å; H283-N310 PolarHBondContact NE2-OD1 2.68Å; H283-Y314 HydrophobicContact CB-CD1 4.36Å; H283-Y314 HydrophobicContact CB-CE1 3.64Å; H283-Y314 AromaticContact CG-CE1 3.63Å; H283-Y314 AromaticContact ND1-CE1 3.72Å
284	F	96.4	Very high	93.6	Very high	40 Å²	40	39.1 Å²	39.1	18%	0.175	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.9	176.1	-67.4	-100.8	0	0	0	110.2	Y278 N282 E296 N297 E298 Y314	Y278-F284 AromaticContact CD1-CD2 3.4Å; Y278-F284 HydrophobicContact CD1-CD2 3.4Å; Y278-F284 AromaticContact CD1-CE2 3.63Å; Y278-F284 HydrophobicContact CD1-CE2 3.63Å; Y278-F284 HydrophobicContact CD1-CG 4.05Å; Y278-F284 HydrophobicContact CD1-CZ 4.42Å; Y278-F284 AromaticContact CD2-CD2 3.81Å; Y278-F284 HydrophobicContact CD2-CD2 3.81Å; Y278-F284 HydrophobicContact CD2-CE2 4.47Å; Y278-F284 HydrophobicContact CE1-CB 3.92Å; Y278-F284 HydrophobicContact CE1-CD1 4.43Å; Y278-F284 AromaticContact CE1-CD2 3.52Å; Y278-F284 HydrophobicContact CE1-CD2 3.52Å; Y278-F284 HydrophobicContact CE1-CE2 4.15Å; Y278-F284 AromaticContact CE1-CG 3.7Å; Y278-F284 HydrophobicContact CE1-CG 3.7Å; Y278-F284 HydrophobicContact CE2-CB 4.05Å; Y278-F284 AromaticContact CE2-CD2 3.92Å; Y278-F284 HydrophobicContact CE2-CD2 3.92Å; Y278-F284 HydrophobicContact CE2-CG 4.36Å; Y278-F284 AromaticContact CG-CD2 3.56Å; Y278-F284 HydrophobicContact CG-CD2 3.56Å; Y278-F284 AromaticContact CG-CE2 3.82Å; Y278-F284 HydrophobicContact CG-CE2 3.82Å; Y278-F284 AromaticContact CZ-CD2 3.8Å; Y278-F284 AromaticContact CZ-CG 3.89Å; N282-F284 HydrophobicContact CB-CE2 4.23Å; F284-E296 HydrophobicContact CB-CB 4.49Å; F284-E296 HydrophobicContact CD1-CB 4.47Å; F284-N297 CarbonylContact C-O 3.58Å; F284-N297 WeakPolarHBondContact CA-O 3.39Å; F284-E298 HydrophobicContact CD1-CG 3.95Å; F284-E298 HydrophobicContact CE1-CB 4.37Å; F284-E298 HydrophobicContact CE1-CG 3.37Å; F284-E298 HydrophobicContact CE2-CG 4.39Å; F284-E298 HydrophobicContact CZ-CG 3.62Å; F284-Y314 VanDerWaalsContact O-CE2 3.25Å; F284-Y314 WeakPolarHBondContact O-CE2 3.25Å; F284-Y314 PolarHBondContact O-OH 3Å
285	R	97.1	Very high	93.5	Very high	1 Å²	1	41 Å²	41	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.2	175.9	70.7	-173.6	-165.3	158.1	5.6	111.1	I287 E296 N297 V299 P300 E303 Y314 R315 I451 D454	R285-I287 HydrophobicContact CG-CG2 4.49Å; R285-I287 PolarHBondContact O-N 2.84Å; R285-E296 WeakPolarHBondContact O-CA 3.38Å; R285-N297 PolarHBondContact N-O 3.3Å; R285-N297 PolarHBondContact O-N 3.22Å; R285-N297 VanDerWaalsContact O-N 3.1Å; R285-V299 HydrophobicContact CB-CG2 4.3Å; R285-P300 VanDerWaalsContact CZ-CG 3.48Å; R285-E303 VanDerWaalsContact NH1-CG 3.3Å; R285-Y314 HydrophobicContact CB-CD2 4.49Å; R285-Y314 HydrophobicContact CB-CE2 4.13Å; R285-R315 PolarHBondContact NH1-O 3.46Å; R285-I451 PolarHBondContact NH2-O 3.4Å; R285-I451 VanDerWaalsContact NH2-O 3.1Å; R285-D454 IonicContact CZ-OD1 3.55Å; R285-D454 IonicContact CZ-OD2 2.66Å; R285-D454 IonicContact NE-OD1 3.9Å; R285-D454 IonicContact NE-OD2 2.77Å; R285-D454 PolarHBondContact NE-OD2 3.41Å; R285-D454 IonicContact NH2-OD1 3.9Å; R285-D454 PolarHBondContact NH2-OD1 2.85Å; R285-D454 IonicContact NH2-OD2 2.95Å; R285-D454 PolarHBondContact NH2-OD2 2.88Å
286	G	98	Very high	93.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.2	176.8	0	0	0	0	0	111.8	Y294 S316 P317 T318	G286-Y294 WeakPolarHBondContact CA-OH 3.36Å; G286-S316 PolarHBondContact N-OG 3.1Å; G286-S316 PolarHBondContact O-OG 2.96Å; G286-P317 VanDerWaalsContact O-CD 3.26Å; G286-P317 WeakPolarHBondContact O-CD 3.49Å; G286-T318 PolarHBondContact O-N 2.93Å; G286-T318 PolarHBondContact O-OG1 3.43Å; G286-T318 VanDerWaalsContact O-OG1 3.14Å
287	I	98	Very high	93.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	-167.7	171.7	59.5	146.1	0	0	0	109.2	R285 K295 N297 P317 T318 V455 F459	R285-I287 HydrophobicContact CG-CG2 4.49Å; R285-I287 PolarHBondContact O-N 2.84Å; I287-K295 CarbonylContact C-O 3.6Å; I287-K295 HydrophobicContact CD1-CB 3.94Å; I287-K295 HydrophobicContact CG1-CB 3.77Å; I287-K295 WeakPolarHBondContact CG1-O 3.34Å; I287-K295 PolarHBondContact N-O 2.57Å; I287-K295 PolarHBondContact O-N 2.72Å; I287-K295 VanDerWaalsContact O-O 3.09Å; I287-N297 HydrophobicContact CD1-CB 4.29Å; I287-N297 VanDerWaalsContact CD1-CG 3.49Å; I287-N297 WeakPolarHBondContact CD1-OD1 3.49Å; I287-N297 HydrophobicContact CG1-CB 4.36Å; I287-N297 HydrophobicContact CG2-CB 4.27Å; I287-P317 HydrophobicContact CG2-CG 4.22Å; I287-T318 PolarHBondContact N-OG1 2.9Å; I287-T318 PolarHBondContact O-OG1 2.89Å; I287-V455 HydrophobicContact CB-CG2 4Å; I287-V455 HydrophobicContact CG2-CG2 4.11Å; I287-F459 HydrophobicContact CD1-CD2 4.09Å; I287-F459 HydrophobicContact CD1-CE2 3.84Å
288	F	98.1	Very high	93.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	163.5	178.9	56.4	-81.6	0	0	0	111	W290 L293 T318 F349 F353 F406 F444 F447 M448 A452 V455 F459	F288-W290 HydrophobicContact CE2-CE3 4.31Å; F288-W290 HydrophobicContact CE2-CH2 4.49Å; F288-W290 AromaticContact CE2-CZ3 3.96Å; F288-W290 HydrophobicContact CE2-CZ3 3.96Å; F288-L293 WeakPolarHBondContact CA-O 3.47Å; F288-T318 HydrophobicContact CD1-CG2 3.78Å; F288-T318 HydrophobicContact CE1-CG2 4.3Å; F288-F349 HydrophobicContact CB-CE1 3.72Å; F288-F349 HydrophobicContact CB-CZ 4.18Å; F288-F349 HydrophobicContact CG-CE1 4.42Å; F288-F353 HydrophobicContact CD1-CE1 4.41Å; F288-F353 HydrophobicContact CD1-CZ 4.41Å; F288-F353 AromaticContact CE1-CE1 3.9Å; F288-F353 HydrophobicContact CE1-CE1 3.9Å; F288-F353 HydrophobicContact CE1-CZ 4.17Å; F288-F353 HydrophobicContact CZ-CE1 4.24Å; F288-F353 HydrophobicContact CZ-CZ 4.31Å; F288-F406 HydrophobicContact CE2-CZ 4.16Å; F288-F444 HydrophobicContact CE2-CZ 4.39Å; F288-F444 AromaticContact CZ-CZ 3.89Å; F288-F444 HydrophobicContact CZ-CZ 3.89Å; F288-F447 AromaticContact CE1-CE1 3.97Å; F288-F447 HydrophobicContact CE1-CE1 3.97Å; F288-F447 HydrophobicContact CE1-CZ 4.41Å; F288-F447 HydrophobicContact CZ-CE1 4.24Å; F288-M448 HydrophobicContact CZ-CE 4.41Å; F288-M448 HydrophobicContact CZ-SD 3.8Å; F288-A452 HydrophobicContact CE1-CB 4.43Å; F288-V455 HydrophobicContact CD1-CG2 4.39Å; F288-V455 HydrophobicContact CE1-CG2 4.07Å; F288-V455 HydrophobicContact CZ-CG2 4.41Å; F288-V455 WeakPolarHBondContact O-CG1 3.31Å; F288-F459 WeakPolarHBondContact O-CD2 3.34Å
289	E	97.3	Very high	94.1	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.042	21%	0.206	C	C	.	.			trans	-108.2	166.6	163.1	61.9	75.2	-135	0	0	110.5	G291 M292 L293 K295 R417 F459	E289-G291 PolarHBondContact O-N 2.85Å; E289-G291 WeakPolarHBondContact OE1-CA 3.42Å; E289-G291 PolarHBondContact OE1-N 3.37Å; E289-G291 VanDerWaalsContact OE1-N 3.09Å; E289-G291 WeakPolarHBondContact OE2-CA 3.23Å; E289-G291 PolarHBondContact OE2-N 3.33Å; E289-M292 PolarHBondContact O-N 3.24Å; E289-M292 PolarHBondContact OE1-N 3.3Å; E289-L293 HydrophobicContact CG-CB 4Å; E289-L293 PolarHBondContact N-O 3.3Å; E289-L293 WeakPolarHBondContact OE1-CB 3.37Å; E289-L293 WeakPolarHBondContact OE1-CG 3.41Å; E289-L293 PolarHBondContact OE1-N 3.38Å; E289-K295 HydrophobicContact CB-CG 4.24Å; E289-K295 HydrophobicContact CG-CD 4.47Å; E289-K295 VanDerWaalsContact CG-CE 3.49Å; E289-K295 HydrophobicContact CG-CG 4.11Å; E289-R417 IonicContact OE2-NE 2.65Å; E289-F459 HydrophobicContact CB-CB 4.39Å; E289-F459 HydrophobicContact CB-CD1 3.57Å; E289-F459 HydrophobicContact CB-CD2 4.03Å; E289-F459 HydrophobicContact CB-CE1 3.76Å; E289-F459 HydrophobicContact CB-CE2 4.21Å; E289-F459 HydrophobicContact CB-CG 3.71Å; E289-F459 HydrophobicContact CB-CZ 4.08Å
290	W	97.4	Very high	94.9	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.023	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.2	-169.7	-60.1	113.8	0	0	0	114.8	F288 M292 F406 H410 Y413 F414 R417 M448 V455 Y456 F459 P460 L462	F288-W290 HydrophobicContact CE2-CE3 4.31Å; F288-W290 HydrophobicContact CE2-CH2 4.49Å; F288-W290 AromaticContact CE2-CZ3 3.96Å; F288-W290 HydrophobicContact CE2-CZ3 3.96Å; W290-M292 VanDerWaalsContact C-N 3.26Å; W290-F406 HydrophobicContact CE3-CE1 4.5Å; W290-F406 HydrophobicContact CZ3-CE1 4.3Å; W290-H410 AromaticContact CH2-CD2 3.79Å; W290-H410 HydrophobicContact CZ3-CB 4.41Å; W290-Y413 AromaticContact CD2-CD2 3.93Å; W290-Y413 HydrophobicContact CD2-CD2 3.93Å; W290-Y413 HydrophobicContact CD2-CG 4.17Å; W290-Y413 AromaticContact CE2-CD2 3.9Å; W290-Y413 AromaticContact CE3-CD2 3.87Å; W290-Y413 HydrophobicContact CE3-CD2 3.87Å; W290-Y413 HydrophobicContact CE3-CG 4.32Å; W290-Y413 AromaticContact CH2-CD2 3.83Å; W290-Y413 HydrophobicContact CH2-CD2 3.83Å; W290-Y413 HydrophobicContact CH2-CE2 4.33Å; W290-Y413 AromaticContact CZ2-CD2 3.88Å; W290-Y413 HydrophobicContact CZ2-CD2 3.88Å; W290-Y413 HydrophobicContact CZ2-CE2 4.34Å; W290-Y413 AromaticContact CZ3-CD2 3.82Å; W290-Y413 HydrophobicContact CZ3-CD2 3.82Å; W290-F414 WeakPolarHBondContact O-CA 3.39Å; W290-F414 WeakPolarHBondContact O-CD2 3.43Å; W290-R417 HydrophobicContact CB-CB 4.32Å; W290-M448 HydrophobicContact CH2-CE 3.83Å; W290-M448 HydrophobicContact CZ2-CE 4.48Å; W290-V455 HydrophobicContact CZ2-CG1 4.36Å; W290-Y456 HydrophobicContact CH2-CE1 4.03Å; W290-Y456 HydrophobicContact CZ2-CD1 4.07Å; W290-Y456 AromaticContact CZ2-CE1 3.51Å; W290-Y456 HydrophobicContact CZ2-CE1 3.51Å; W290-F459 PolarHBondContact NE1-O 3.47Å; W290-P460 PolarHBondContact NE1-O 3.27Å; W290-L462 HydrophobicContact CB-CD1 3.84Å; W290-L462 HydrophobicContact CB-CG 4.35Å; W290-L462 HydrophobicContact CG-CD1 4.19Å; W290-L462 HydrophobicContact CG-CG 4.16Å
291	G	96.8	Very high	95.6	Very high	3 Å²	3	39 Å²	39	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	9.2	171	0	0	0	0	0	113.9	E289 L293 R417	E289-G291 PolarHBondContact O-N 2.85Å; E289-G291 WeakPolarHBondContact OE1-CA 3.42Å; E289-G291 PolarHBondContact OE1-N 3.37Å; E289-G291 VanDerWaalsContact OE1-N 3.09Å; E289-G291 WeakPolarHBondContact OE2-CA 3.23Å; E289-G291 PolarHBondContact OE2-N 3.33Å; G291-L293 VanDerWaalsContact C-N 3.28Å; G291-L293 PolarHBondContact O-N 2.88Å; G291-R417 VanDerWaalsContact CA-CG 3.44Å
292	M	97.2	Very high	96.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	18%	0.175	C	C	.	.			trans	62	33.3	-179	-63.1	-76.3	-79.4	0	0	112.9	E289 W290 F349 F353 Y398 V401 I402 F406 F414	E289-M292 PolarHBondContact O-N 3.24Å; E289-M292 PolarHBondContact OE1-N 3.3Å; W290-M292 VanDerWaalsContact C-N 3.26Å; M292-F349 HydrophobicContact CB-CD2 4.49Å; M292-F349 HydrophobicContact CB-CE2 4.26Å; M292-F349 HydrophobicContact CE-CB 3.69Å; M292-F349 HydrophobicContact CE-CD2 3.6Å; M292-F349 HydrophobicContact CE-CE2 4.42Å; M292-F349 HydrophobicContact CE-CG 3.7Å; M292-F349 WeakPolarHBondContact O-CE2 3.2Å; M292-F349 HydrophobicContact SD-CD2 4.37Å; M292-F349 HydrophobicContact SD-CG 4.43Å; M292-F353 HydrophobicContact CE-CE2 4.05Å; M292-F353 HydrophobicContact SD-CE2 4.43Å; M292-Y398 HydrophobicContact CB-CD1 4.09Å; M292-Y398 HydrophobicContact CB-CD2 3.63Å; M292-Y398 HydrophobicContact CB-CE1 4.29Å; M292-Y398 HydrophobicContact CB-CE2 3.83Å; M292-Y398 HydrophobicContact CB-CG 3.77Å; M292-Y398 HydrophobicContact CG-CD2 4.46Å; M292-Y398 HydrophobicContact CG-CG 4.31Å; M292-Y398 PolarHBondContact O-OH 3.45Å; M292-V401 HydrophobicContact CE-CB 4.21Å; M292-V401 HydrophobicContact CE-CG1 3.85Å; M292-I402 HydrophobicContact CE-CD1 4.19Å; M292-I402 HydrophobicContact CE-CG1 4.41Å; M292-I402 HydrophobicContact CG-CD1 3.99Å; M292-I402 HydrophobicContact CG-CG1 4.32Å; M292-I402 HydrophobicContact SD-CD1 3.74Å; M292-I402 HydrophobicContact SD-CG1 4.44Å; M292-F406 HydrophobicContact SD-CZ 4.07Å; M292-F414 HydrophobicContact CB-CE2 4.44Å; M292-F414 HydrophobicContact CG-CD2 3.76Å; M292-F414 HydrophobicContact CG-CE2 3.92Å
293	L	96.2	Very high	96.4	Very high	61 Å²	61	36.7 Å²	36.7	32%	0.319	16%	0.158	S	C	.	.			trans	-88.2	137.3	163.8	-58.6	176.3	0	0	0	110.3	F288 E289 G291 E517	F288-L293 WeakPolarHBondContact CA-O 3.47Å; E289-L293 HydrophobicContact CG-CB 4Å; E289-L293 PolarHBondContact N-O 3.3Å; E289-L293 WeakPolarHBondContact OE1-CB 3.37Å; E289-L293 WeakPolarHBondContact OE1-CG 3.41Å; E289-L293 PolarHBondContact OE1-N 3.38Å; G291-L293 VanDerWaalsContact C-N 3.28Å; G291-L293 PolarHBondContact O-N 2.88Å; L293-E517 HydrophobicContact CD1-CG 4.45Å
294	Y	97	Very high	96.3	Very high	66 Å²	66	40.2 Å²	40.2	26%	0.259	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	136.3	173.2	178.1	-94.5	0	0	0	110.1	G286 E296 A320 W364	G286-Y294 WeakPolarHBondContact CA-OH 3.36Å; Y294-E296 HydrophobicContact CE1-CG 3.54Å; Y294-E296 VanDerWaalsContact CE1-OE1 3.3Å; Y294-E296 WeakPolarHBondContact CE1-OE1 3.35Å; Y294-E296 WeakPolarHBondContact OH-CG 3.41Å; Y294-E296 PolarHBondContact OH-OE1 3.47Å; Y294-A320 HydrophobicContact CE2-CB 4.41Å; Y294-W364 WeakPolarHBondContact OH-CH2 3.27Å; Y294-W364 VanDerWaalsContact OH-CZ2 3.32Å; Y294-W364 WeakPolarHBondContact OH-CZ2 3.35Å
295	K	97	Very high	96.3	Very high	48 Å²	48	48.1 Å²	48.1	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	169.1	179.5	-61.1	-63.6	176.3	-169.2	0	109	I287 E289 F459 E517	I287-K295 CarbonylContact C-O 3.6Å; I287-K295 HydrophobicContact CD1-CB 3.94Å; I287-K295 HydrophobicContact CG1-CB 3.77Å; I287-K295 WeakPolarHBondContact CG1-O 3.34Å; I287-K295 PolarHBondContact N-O 2.57Å; I287-K295 PolarHBondContact O-N 2.72Å; I287-K295 VanDerWaalsContact O-O 3.09Å; E289-K295 HydrophobicContact CB-CG 4.24Å; E289-K295 HydrophobicContact CG-CD 4.47Å; E289-K295 VanDerWaalsContact CG-CE 3.49Å; E289-K295 HydrophobicContact CG-CG 4.11Å; K295-F459 HydrophobicContact CB-CE2 3.99Å; K295-F459 HydrophobicContact CB-CZ 4.41Å; K295-F459 HydrophobicContact CD-CZ 4.11Å; K295-F459 HydrophobicContact CG-CE2 3.81Å; K295-F459 HydrophobicContact CG-CZ 3.85Å; K295-E517 IonicContact NZ-OE1 3.16Å; K295-E517 IonicContact NZ-OE2 3.76Å; K295-E517 PolarHBondContact NZ-OE2 2.87Å
296	E	95.7	Very high	96.1	Very high	61 Å²	61	55.4 Å²	55.4	29%	0.285	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.3	176	-61.8	-170.6	162.7	0	0	111.8	Y278 F284 R285 Y294 K458	Y278-E296 VanDerWaalsContact CE1-OE2 3.3Å; Y278-E296 WeakPolarHBondContact CE1-OE2 3.24Å; Y278-E296 PolarHBondContact OH-OE1 2.92Å; Y278-E296 PolarHBondContact OH-OE2 3.03Å; F284-E296 HydrophobicContact CB-CB 4.49Å; F284-E296 HydrophobicContact CD1-CB 4.47Å; R285-E296 WeakPolarHBondContact O-CA 3.38Å; Y294-E296 HydrophobicContact CE1-CG 3.54Å; Y294-E296 VanDerWaalsContact CE1-OE1 3.3Å; Y294-E296 WeakPolarHBondContact CE1-OE1 3.35Å; Y294-E296 WeakPolarHBondContact OH-CG 3.41Å; Y294-E296 PolarHBondContact OH-OE1 3.47Å; E296-K458 PolarHBondContact O-NZ 3.46Å
297	N	95.1	Very high	95.9	Very high	8 Å²	8	57 Å²	57	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.5	167.9	-88.9	-5	0	0	0	109.1	F284 R285 I287 V299 D454 K458	F284-N297 CarbonylContact C-O 3.58Å; F284-N297 WeakPolarHBondContact CA-O 3.39Å; R285-N297 PolarHBondContact N-O 3.3Å; R285-N297 PolarHBondContact O-N 3.22Å; R285-N297 VanDerWaalsContact O-N 3.1Å; I287-N297 HydrophobicContact CD1-CB 4.29Å; I287-N297 VanDerWaalsContact CD1-CG 3.49Å; I287-N297 WeakPolarHBondContact CD1-OD1 3.49Å; I287-N297 HydrophobicContact CG1-CB 4.36Å; I287-N297 HydrophobicContact CG2-CB 4.27Å; N297-V299 PolarHBondContact O-N 2.91Å; N297-D454 PolarHBondContact ND2-O 3.04Å; N297-D454 PolarHBondContact ND2-OD2 2.81Å; N297-K458 WeakPolarHBondContact OD1-CD 3.49Å; N297-K458 WeakPolarHBondContact OD1-CE 3.12Å; N297-K458 PolarHBondContact OD1-NZ 3.14Å
298	E	95.9	Very high	95.7	Very high	97 Å²	97	61 Å²	61	45%	0.453	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	140.6	160	-71	-169.3	169.4	0	0	108.7	N282 H283 F284 P300	N282-E298 PolarHBondContact ND2-OE1 3.33Å; H283-E298 CarbonylContact O-C 3.57Å; H283-E298 WeakPolarHBondContact O-CA 3.41Å; F284-E298 HydrophobicContact CD1-CG 3.95Å; F284-E298 HydrophobicContact CE1-CB 4.37Å; F284-E298 HydrophobicContact CE1-CG 3.37Å; F284-E298 HydrophobicContact CE2-CG 4.39Å; F284-E298 HydrophobicContact CZ-CG 3.62Å; E298-P300 WeakPolarHBondContact O-CD 3.16Å; E298-P300 VanDerWaalsContact O-N 3.1Å
299	V	96.4	Very high	95.5	Very high	2 Å²	2	64 Å²	64	1%	0.012	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-55.1	120.3	179.1	171.6	0	0	0	0	108.4	H283 R285 N297 E303 Q304 Y314	H283-V299 HydrophobicContact CB-CB 4.17Å; H283-V299 HydrophobicContact CB-CG2 3.52Å; H283-V299 PolarHBondContact O-N 2.82Å; R285-V299 HydrophobicContact CB-CG2 4.3Å; N297-V299 PolarHBondContact O-N 2.91Å; V299-E303 HydrophobicContact CG1-CB 3.49Å; V299-E303 VanDerWaalsContact CG1-CB 3.49Å; V299-E303 HydrophobicContact CG1-CG 4.5Å; V299-Q304 HydrophobicContact CB-CG 4.47Å; V299-Q304 HydrophobicContact CG1-CG 3.98Å; V299-Q304 PolarHBondContact O-NE2 3.44Å; V299-Y314 HydrophobicContact CG1-CD2 4.49Å; V299-Y314 HydrophobicContact CG2-CD1 4.47Å; V299-Y314 HydrophobicContact CG2-CD2 3.48Å; V299-Y314 VanDerWaalsContact CG2-CD2 3.48Å; V299-Y314 HydrophobicContact CG2-CE1 4.38Å; V299-Y314 HydrophobicContact CG2-CE2 3.39Å; V299-Y314 HydrophobicContact CG2-CG 4.05Å
300	P	96	Very high	95.3	Very high	23 Å²	23	66.6 Å²	66.6	15%	0.149	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.2	154.2	-172.7	26.3	-35.1	0	0	0	110.8	R285 E298 R302 E303 Q304 Y453	R285-P300 VanDerWaalsContact CZ-CG 3.48Å; E298-P300 WeakPolarHBondContact O-CD 3.16Å; E298-P300 VanDerWaalsContact O-N 3.1Å; P300-R302 PolarHBondContact O-N 3.42Å; P300-E303 HydrophobicContact CG-CB 4.34Å; P300-E303 HydrophobicContact CG-CG 4.06Å; P300-E303 PolarHBondContact O-N 2.83Å; P300-Q304 PolarHBondContact O-N 3.14Å; P300-Y453 HydrophobicContact CB-CE2 4.2Å; P300-Y453 HydrophobicContact CG-CE2 3.95Å; P300-Y453 VanDerWaalsContact CG-OH 3.25Å; P300-Y453 WeakPolarHBondContact CG-OH 3.03Å
301	R	94.6	Very high	95.2	Very high	185 Å²	185	66.4 Å²	66.4	70%	0.698	30%	0.298	S	S	*	.	H	α-helix	trans	-51.5	-32.8	-179.4	-75.2	-173.8	169.7	-177.3	-2.5	113.6	Q304 R305	R301-Q304 PolarHBondContact O-N 3.44Å; R301-R305 WeakPolarHBondContact O-CB 3.43Å; R301-R305 VanDerWaalsContact O-CG 3.26Å; R301-R305 WeakPolarHBondContact O-CG 2.99Å; R301-R305 PolarHBondContact O-N 3.28Å
302	R	94	Very high	95.2	Very high	136 Å²	136	68.7 Å²	68.7	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-41.9	175.6	175.4	176.8	178.2	-167.5	3.5	111.9	P300 R306 Y453	P300-R302 PolarHBondContact O-N 3.42Å; R302-R306 WeakPolarHBondContact O-CG 3.48Å; R302-Y453 WeakPolarHBondContact CB-OH 3.49Å
303	E	94.5	Very high	95.3	Very high	10 Å²	10	70.8 Å²	70.8	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-76.6	-37.8	175.1	-70.2	-47.4	115.8	0	0	112.1	R285 V299 P300 R305 R306 Y453	R285-E303 VanDerWaalsContact NH1-CG 3.3Å; V299-E303 HydrophobicContact CG1-CB 3.49Å; V299-E303 VanDerWaalsContact CG1-CB 3.49Å; V299-E303 HydrophobicContact CG1-CG 4.5Å; P300-E303 HydrophobicContact CG-CB 4.34Å; P300-E303 HydrophobicContact CG-CG 4.06Å; P300-E303 PolarHBondContact O-N 2.83Å; E303-R305 VanDerWaalsContact C-N 3.28Å; E303-R305 PolarHBondContact O-N 2.05Å; E303-R306 WeakPolarHBondContact O-CB 3.37Å; E303-R306 PolarHBondContact O-N 2.9Å; E303-R306 VanDerWaalsContact O-N 3.08Å; E303-R306 WeakPolarHBondContact OE2-CD 3.33Å; E303-R306 IonicContact OE2-NE 3.73Å; E303-Y453 PolarHBondContact OE1-OH 3.19Å
304	Q	94.1	Very high	95.3	Very high	88 Å²	88	68.1 Å²	68.1	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-56.9	-43	176.9	-63.4	-179.6	20.9	0	0	111.8	V299 P300 R301 R306 R307	V299-Q304 HydrophobicContact CB-CG 4.47Å; V299-Q304 HydrophobicContact CG1-CG 3.98Å; V299-Q304 PolarHBondContact O-NE2 3.44Å; P300-Q304 PolarHBondContact O-N 3.14Å; R301-Q304 PolarHBondContact O-N 3.44Å; Q304-R306 PolarHBondContact O-N 2.89Å; Q304-R307 PolarHBondContact O-N 3.48Å
305	R	95.1	Very high	95.4	Very high	205 Å²	205	68.8 Å²	68.8	77%	0.774	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-13.1	179.4	-72	172.8	-179.3	-175.8	-0.6	114.8	R301 E303 R307	R301-R305 WeakPolarHBondContact O-CB 3.43Å; R301-R305 VanDerWaalsContact O-CG 3.26Å; R301-R305 WeakPolarHBondContact O-CG 2.99Å; R301-R305 PolarHBondContact O-N 3.28Å; E303-R305 VanDerWaalsContact C-N 3.28Å; E303-R305 PolarHBondContact O-N 2.05Å; R305-R307 VanDerWaalsContact C-N 3.27Å
306	R	93.4	Very high	95.5	Very high	154 Å²	154	66.5 Å²	66.5	58%	0.581	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.6	177.4	-67.4	173.2	59.3	71.5	7	112.6	R302 E303 Q304	R302-R306 WeakPolarHBondContact O-CG 3.48Å; E303-R306 WeakPolarHBondContact O-CB 3.37Å; E303-R306 PolarHBondContact O-N 2.9Å; E303-R306 VanDerWaalsContact O-N 3.08Å; E303-R306 WeakPolarHBondContact OE2-CD 3.33Å; E303-R306 IonicContact OE2-NE 3.73Å; Q304-R306 PolarHBondContact O-N 2.89Å
307	R	93.6	Very high	95.6	Very high	34 Å²	34	63.6 Å²	63.6	13%	0.128	29%	0.286	C	S	.	.			trans	-107.6	137.7	-174.8	-60.6	-173	-64.8	151.4	15.2	110.1	H283 Q304 R305 N310 E312	H283-R307 PolarHBondContact CD2-NH1 3.42Å; H283-R307 PolarHBondContact CD2-NH2 2.77Å; Q304-R307 PolarHBondContact O-N 3.48Å; R305-R307 VanDerWaalsContact C-N 3.27Å; R307-N310 PolarHBondContact NH1-O 2.68Å; R307-N310 PolarHBondContact NH2-OD1 3.24Å; R307-E312 VanDerWaalsContact CA-OE2 3.24Å; R307-E312 WeakPolarHBondContact CA-OE2 3.47Å; R307-E312 HydrophobicContact CB-CB 4.23Å; R307-E312 WeakPolarHBondContact CB-OE2 3.42Å; R307-E312 VanDerWaalsContact CD-O 3.28Å; R307-E312 WeakPolarHBondContact CD-O 3.46Å; R307-E312 HydrophobicContact CG-CB 4.17Å; R307-E312 PolarHBondContact NH1-O 3.25Å
308	A	93.5	Very high	95.8	Very high	84 Å²	84	63.2 Å²	63.2	69%	0.694	28%	0.284	S	S	*	.	S	Bend	trans	-80.1	-33.3	172.1	0	0	0	0	0	110.8	E312	A308-E312 PolarHBondContact N-OE2 3.13Å
309	H	94.7	Very high	95.9	Very high	63 Å²	63	58.6 Å²	58.6	29%	0.292	26%	0.262	S	S	.	.	S	Bend	trans	-124.3	146	-174.8	-64.9	-83.9	0	0	0	111.2	E131 W135 S311 E312	E131-H309 IonicContact OE2-CE1 3.56Å; E131-H309 IonicContact OE2-CG 2.99Å; E131-H309 IonicContact OE2-ND1 3.33Å; E131-H309 PolarHBondContact OE2-ND1 3.25Å; W135-H309 HydrophobicContact CZ2-CB 3.97Å; H309-S311 PolarHBondContact O-N 3.05Å; H309-E312 HydrophobicContact CB-CG 4.03Å; H309-E312 IonicContact CD2-OE1 2.7Å; H309-E312 PolarHBondContact CD2-OE1 2.99Å; H309-E312 PolarHBondContact N-OE2 2.91Å; H309-E312 WeakPolarHBondContact O-CB 3.34Å; H309-E312 PolarHBondContact O-N 2.79Å
310	N	92.8	Very high	95.8	Very high	63 Å²	63	60.6 Å²	60.6	34%	0.337	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.2	-177.5	-166	38.2	0	0	0	111.8	E131 D281 H283 R307 E312	E131-N310 PolarHBondContact OE1-N 3.44Å; D281-N310 PolarHBondContact O-ND2 2.85Å; H283-N310 PolarHBondContact CD2-OD1 3.12Å; H283-N310 VanDerWaalsContact NE2-CG 3.34Å; H283-N310 PolarHBondContact NE2-ND2 2.86Å; H283-N310 PolarHBondContact NE2-O 3.09Å; H283-N310 PolarHBondContact NE2-OD1 2.68Å; R307-N310 PolarHBondContact NH1-O 2.68Å; R307-N310 PolarHBondContact NH2-OD1 3.24Å; N310-E312 VanDerWaalsContact C-N 3.33Å
311	S	95.6	Very high	95.6	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.021	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.9	177.1	69	0	0	0	0	115	E131 W135 H309	E131-S311 WeakPolarHBondContact OE1-CB 3.42Å; E131-S311 PolarHBondContact OE1-N 2.83Å; E131-S311 PolarHBondContact OE1-OG 2.76Å; E131-S311 VanDerWaalsContact OE1-OG 3.05Å; W135-S311 PolarHBondContact NE1-OG 3.45Å; H309-S311 PolarHBondContact O-N 3.05Å
312	E	97.1	Very high	95.6	Very high	51 Å²	51	51.2 Å²	51.2	24%	0.238	24%	0.244	C	C	.	.	S	Bend	trans	-69.9	146.6	-179.9	-81.3	171.5	-179.9	0	0	112.5	W135 R307 A308 H309 N310	W135-E312 HydrophobicContact CH2-CG 4.15Å; W135-E312 HydrophobicContact CZ2-CG 4.25Å; R307-E312 VanDerWaalsContact CA-OE2 3.24Å; R307-E312 WeakPolarHBondContact CA-OE2 3.47Å; R307-E312 HydrophobicContact CB-CB 4.23Å; R307-E312 WeakPolarHBondContact CB-OE2 3.42Å; R307-E312 VanDerWaalsContact CD-O 3.28Å; R307-E312 WeakPolarHBondContact CD-O 3.46Å; R307-E312 HydrophobicContact CG-CB 4.17Å; R307-E312 PolarHBondContact NH1-O 3.25Å; A308-E312 PolarHBondContact N-OE2 3.13Å; H309-E312 HydrophobicContact CB-CG 4.03Å; H309-E312 IonicContact CD2-OE1 2.7Å; H309-E312 PolarHBondContact CD2-OE1 2.99Å; H309-E312 PolarHBondContact N-OE2 2.91Å; H309-E312 WeakPolarHBondContact O-CB 3.34Å; H309-E312 PolarHBondContact O-N 2.79Å; N310-E312 VanDerWaalsContact C-N 3.33Å
313	P	98	Very high	95.8	Very high	44 Å²	44	44.8 Å²	44.8	29%	0.286	22%	0.22	S	C	.	.			trans	-55.2	149.1	172.3	-24.4	33.5	0	0	0	113.5	P251 E363 W364 V365	P251-P313 HydrophobicContact CG-CB 4.44Å; P251-P313 HydrophobicContact CG-CG 3.96Å; P313-E363 HydrophobicContact CB-CB 4.22Å; P313-W364 CarbonylContact C-O 3.58Å; P313-W364 WeakPolarHBondContact CA-O 3.37Å; P313-V365 HydrophobicContact CB-CG2 4.29Å; P313-V365 HydrophobicContact CG-CG1 4.37Å; P313-V365 HydrophobicContact CG-CG2 4.26Å
314	Y	97.9	Very high	96	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.5	178.7	55	-91.1	0	0	0	112.2	I263 H283 F284 R285 V299 E363 W364 P366	I263-Y314 WeakPolarHBondContact CD1-OH 3.39Å; H283-Y314 HydrophobicContact CB-CD1 4.36Å; H283-Y314 HydrophobicContact CB-CE1 3.64Å; H283-Y314 AromaticContact CG-CE1 3.63Å; H283-Y314 AromaticContact ND1-CE1 3.72Å; F284-Y314 VanDerWaalsContact O-CE2 3.25Å; F284-Y314 WeakPolarHBondContact O-CE2 3.25Å; F284-Y314 PolarHBondContact O-OH 3Å; R285-Y314 HydrophobicContact CB-CD2 4.49Å; R285-Y314 HydrophobicContact CB-CE2 4.13Å; V299-Y314 HydrophobicContact CG1-CD2 4.49Å; V299-Y314 HydrophobicContact CG2-CD1 4.47Å; V299-Y314 HydrophobicContact CG2-CD2 3.48Å; V299-Y314 VanDerWaalsContact CG2-CD2 3.48Å; V299-Y314 HydrophobicContact CG2-CE1 4.38Å; V299-Y314 HydrophobicContact CG2-CE2 3.39Å; V299-Y314 HydrophobicContact CG2-CG 4.05Å; Y314-E363 CarbonylContact O-C 3.59Å; Y314-E363 VanDerWaalsContact O-CA 3.25Å; Y314-E363 WeakPolarHBondContact O-CA 3.18Å; Y314-W364 HydrophobicContact CD2-CB 4.05Å; Y314-W364 HydrophobicContact CE1-CB 4.16Å; Y314-W364 HydrophobicContact CE2-CB 3.49Å; Y314-W364 VanDerWaalsContact CE2-CB 3.49Å; Y314-W364 HydrophobicContact CE2-CD2 4.4Å; Y314-W364 HydrophobicContact CE2-CE3 4.44Å; Y314-W364 HydrophobicContact CE2-CG 4.04Å; Y314-W364 PolarHBondContact N-O 2.86Å; Y314-W364 PolarHBondContact O-N 3.5Å; Y314-P366 HydrophobicContact CD1-CG 4.13Å; Y314-P366 HydrophobicContact CE1-CG 3.81Å
315	R	98.4	Very high	96.2	Very high	81 Å²	81	40.1 Å²	40.1	31%	0.306	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.7	-176.5	-65	177.3	160.9	-163.9	-6.5	112.1	R285 W356 I362	R285-R315 PolarHBondContact NH1-O 3.46Å; R315-W356 HydrophobicContact CB-CH2 4Å; R315-W356 HydrophobicContact CB-CZ2 4.12Å; R315-W356 HydrophobicContact CG-CH2 3.89Å; R315-W356 HydrophobicContact CG-CZ2 4.43Å; R315-I362 WeakPolarHBondContact CA-O 3.07Å
316	S	98.7	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.			trans	-123.1	132	174.2	-172.9	0	0	0	0	111.7	G286 T318 W356 I362 W364	G286-S316 PolarHBondContact N-OG 3.1Å; G286-S316 PolarHBondContact O-OG 2.96Å; S316-T318 VanDerWaalsContact C-N 3.31Å; S316-T318 WeakPolarHBondContact CB-O 3.2Å; S316-T318 PolarHBondContact O-N 2.88Å; S316-T318 PolarHBondContact OG-O 3.02Å; S316-W356 PolarHBondContact O-NE1 3.23Å; S316-I362 PolarHBondContact N-O 2.66Å; S316-W364 PolarHBondContact OG-NE1 3.13Å
317	P	98.7	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-57.2	-42.2	174	-25.7	33.4	0	0	0	113.5	G286 I287 W356 F447 I451 A452	G286-P317 VanDerWaalsContact O-CD 3.26Å; G286-P317 WeakPolarHBondContact O-CD 3.49Å; I287-P317 HydrophobicContact CG2-CG 4.22Å; P317-W356 PolarHBondContact O-NE1 3.18Å; P317-F447 HydrophobicContact CB-CE2 4.29Å; P317-F447 HydrophobicContact CB-CZ 3.88Å; P317-I451 HydrophobicContact CB-CG2 4.21Å; P317-I451 HydrophobicContact CG-CG2 4.21Å; P317-A452 HydrophobicContact CB-CB 3.84Å; P317-A452 HydrophobicContact CG-CB 4.09Å
318	T	98.4	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-132.6	174.4	179.6	68.5	0	0	0	0	112.2	G286 I287 F288 S316 F349 S352 F353 W364	G286-T318 PolarHBondContact O-N 2.93Å; G286-T318 PolarHBondContact O-OG1 3.43Å; G286-T318 VanDerWaalsContact O-OG1 3.14Å; I287-T318 PolarHBondContact N-OG1 2.9Å; I287-T318 PolarHBondContact O-OG1 2.89Å; F288-T318 HydrophobicContact CD1-CG2 3.78Å; F288-T318 HydrophobicContact CE1-CG2 4.3Å; S316-T318 VanDerWaalsContact C-N 3.31Å; S316-T318 WeakPolarHBondContact CB-O 3.2Å; S316-T318 PolarHBondContact O-N 2.88Å; S316-T318 PolarHBondContact OG-O 3.02Å; T318-F349 HydrophobicContact CG2-CD1 4Å; T318-F349 HydrophobicContact CG2-CE1 4.19Å; T318-S352 WeakPolarHBondContact CA-OG 3.45Å; T318-F353 HydrophobicContact CG2-CE1 4.26Å; T318-W364 PolarHBondContact O-NE1 3.05Å
319	H	97.8	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.			trans	-129	167.1	169.8	74	-56.9	0	0	0	110.2	M259 V261 G321 F324 N348 S352	M259-H319 HydrophobicContact CE-CB 3.93Å; V261-H319 HydrophobicContact CG2-CB 3.73Å; H319-G321 PolarHBondContact CD2-N 3.06Å; H319-G321 VanDerWaalsContact CD2-N 3.26Å; H319-G321 WeakPolarHBondContact NE2-CA 3.15Å; H319-G321 PolarHBondContact O-N 2.88Å; H319-F324 AromaticContact CD2-CD1 3.77Å; H319-F324 AromaticContact NE2-CD1 3.69Å; H319-F324 AromaticContact NE2-CE1 3.82Å; H319-N348 VanDerWaalsContact CE1-CA 3.45Å; H319-N348 WeakPolarHBondContact CE1-CA 3.25Å; H319-N348 PolarHBondContact CE1-O 2.97Å; H319-N348 PolarHBondContact ND1-O 3.06Å; H319-N348 WeakPolarHBondContact O-CB 3.19Å; H319-N348 PolarHBondContact O-ND2 3.26Å; H319-S352 PolarHBondContact N-OG 2.85Å; H319-S352 PolarHBondContact ND1-OG 2.86Å
320	A	94.2	Very high	97.3	Very high	44 Å²	44	24.6 Å²	24.6	36%	0.364	13%	0.126	S	C	.	.			trans	-78.2	-1.5	-179.1	0	0	0	0	0	114	I264 Y294 G322	I264-A320 HydrophobicContact CD1-CB 4.11Å; Y294-A320 HydrophobicContact CE2-CB 4.41Å; A320-G322 PolarHBondContact O-N 2.8Å; A320-G322 VanDerWaalsContact O-N 3.09Å
321	G	93.2	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	84.5	-45.6	-178.9	0	0	0	0	0	113.6	R219 H319 L323 F324	R219-G321 PolarHBondContact NH1-O 2.85Å; H319-G321 PolarHBondContact CD2-N 3.06Å; H319-G321 VanDerWaalsContact CD2-N 3.26Å; H319-G321 WeakPolarHBondContact NE2-CA 3.15Å; H319-G321 PolarHBondContact O-N 2.88Å; G321-L323 PolarHBondContact O-N 3.13Å; G321-F324 WeakPolarHBondContact O-CE1 3.49Å
322	G	93.3	Very high	97.7	Very high	10 Å²	10	24.1 Å²	24.1	10%	0.103	12%	0.122	C	C	.	.	S	Bend	trans	-54.5	-54.5	-171	0	0	0	0	0	115	R219 A320	R219-G322 PolarHBondContact NH2-O 2.64Å; A320-G322 PolarHBondContact O-N 2.8Å; A320-G322 VanDerWaalsContact O-N 3.09Å
323	L	98.6	Very high	97.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.129	C	C	.	.	S	Bend	trans	-132.5	117.8	-161.7	-43.6	178.5	0	0	0	110.3	F233 L234 D235 C238 P262 I264 G321 V370 H372	F233-L323 WeakPolarHBondContact O-CA 3.31Å; L234-L323 HydrophobicContact CB-CD2 4.32Å; L234-L323 HydrophobicContact CD2-CB 4.35Å; L234-L323 HydrophobicContact CD2-CD2 3.87Å; D235-L323 HydrophobicContact CB-CD2 4.28Å; D235-L323 VanDerWaalsContact N-CD2 3.34Å; C238-L323 WeakPolarHBondContact SG-CD2 3.45Å; P262-L323 HydrophobicContact CG-CB 4.01Å; I264-L323 HydrophobicContact CB-CD1 4.46Å; I264-L323 HydrophobicContact CD1-CB 4.29Å; I264-L323 HydrophobicContact CD1-CD1 3.97Å; I264-L323 HydrophobicContact CD1-CG 4.13Å; I264-L323 HydrophobicContact CG1-CD1 3.96Å; I264-L323 HydrophobicContact CG2-CD1 3.88Å; G321-L323 PolarHBondContact O-N 3.13Å; L323-V370 HydrophobicContact CD1-CB 3.95Å; L323-V370 HydrophobicContact CD1-CG1 3.73Å; L323-H372 HydrophobicContact CD1-CB 4.42Å
324	F	98.9	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	159.5	176.8	64.3	-85.7	0	0	0	112	V232 F233 M259 T260 V261 H319 G321 I326 Y337 L351	V232-F324 CarbonylContact C-O 3.48Å; V232-F324 WeakPolarHBondContact CA-O 3.12Å; F233-F324 HydrophobicContact CB-CD1 4.3Å; F233-F324 HydrophobicContact CB-CE1 4.03Å; F233-F324 HydrophobicContact CB-CZ 4.35Å; F233-F324 HydrophobicContact CD2-CD1 4.43Å; F233-F324 HydrophobicContact CD2-CD2 4.15Å; F233-F324 AromaticContact CD2-CE1 3.73Å; F233-F324 HydrophobicContact CD2-CE1 3.73Å; F233-F324 AromaticContact CD2-CE2 3.41Å; F233-F324 HydrophobicContact CD2-CE2 3.41Å; F233-F324 VanDerWaalsContact CD2-CE2 3.41Å; F233-F324 AromaticContact CD2-CZ 3.16Å; F233-F324 HydrophobicContact CD2-CZ 3.16Å; F233-F324 AromaticContact CE2-CE2 3.81Å; F233-F324 HydrophobicContact CE2-CE2 3.81Å; F233-F324 AromaticContact CE2-CZ 3.61Å; F233-F324 HydrophobicContact CE2-CZ 3.61Å; F233-F324 HydrophobicContact CG-CE1 4.15Å; F233-F324 HydrophobicContact CG-CZ 4.01Å; F233-F324 PolarHBondContact N-O 2.92Å; F233-F324 PolarHBondContact O-N 3.45Å; M259-F324 HydrophobicContact CE-CB 4.25Å; M259-F324 HydrophobicContact CE-CG 4.41Å; M259-F324 HydrophobicContact CG-CB 4.16Å; M259-F324 HydrophobicContact CG-CD2 3.75Å; M259-F324 HydrophobicContact CG-CG 4.31Å; M259-F324 HydrophobicContact SD-CB 4.21Å; M259-F324 HydrophobicContact SD-CD2 3.5Å; M259-F324 WeakPolarHBondContact SD-CD2 3.38Å; M259-F324 HydrophobicContact SD-CE2 3.97Å; M259-F324 HydrophobicContact SD-CG 3.94Å; T260-F324 CarbonylContact O-C 3.45Å; T260-F324 VanDerWaalsContact O-CA 3.23Å; T260-F324 WeakPolarHBondContact O-CA 3.48Å; T260-F324 WeakPolarHBondContact O-CB 3.32Å; V261-F324 HydrophobicContact CG2-CB 4.2Å; H319-F324 AromaticContact CD2-CD1 3.77Å; H319-F324 AromaticContact NE2-CD1 3.69Å; H319-F324 AromaticContact NE2-CE1 3.82Å; G321-F324 WeakPolarHBondContact O-CE1 3.49Å; F324-I326 HydrophobicContact CD2-CB 4.47Å; F324-I326 HydrophobicContact CD2-CG2 4.26Å; F324-I326 HydrophobicContact CE2-CG2 3.96Å; F324-Y337 VanDerWaalsContact CE1-OH 3.28Å; F324-Y337 WeakPolarHBondContact CE1-OH 3.46Å; F324-Y337 VanDerWaalsContact CZ-OH 3.23Å; F324-Y337 WeakPolarHBondContact CZ-OH 3.38Å; F324-L351 HydrophobicContact CE1-CD2 4.34Å; F324-L351 HydrophobicContact CE2-CD2 3.74Å; F324-L351 HydrophobicContact CZ-CD2 3.62Å
325	A	98.9	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.6	171.4	0	0	0	0	0	111.1	V230 I231 V232 L248 I252 M259 T260	V230-A325 HydrophobicContact CG1-CB 4.16Å; I231-A325 VanDerWaalsContact O-CA 3.31Å; I231-A325 WeakPolarHBondContact O-CA 3.43Å; V232-A325 HydrophobicContact CG2-CB 3.66Å; L248-A325 HydrophobicContact CD2-CB 3.78Å; L248-A325 HydrophobicContact CG-CB 3.77Å; I252-A325 HydrophobicContact CD1-CB 3.67Å; M259-A325 CarbonylContact C-O 3.56Å; M259-A325 WeakPolarHBondContact CA-O 3.43Å; M259-A325 WeakPolarHBondContact CG-O 3.49Å; T260-A325 PolarHBondContact N-O 3.4Å; T260-A325 PolarHBondContact O-N 2.92Å; T260-A325 WeakPolarHBondContact OG1-CB 3.27Å
326	I	98.8	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148.4	178	-168.4	168.4	0	0	0	110.2	V230 I231 M259 F324 R328 Y330 F331 I355	V230-I326 WeakPolarHBondContact CG1-O 3.49Å; I231-I326 HydrophobicContact CD1-CG2 3.95Å; I231-I326 HydrophobicContact CG1-CG2 3.64Å; I231-I326 WeakPolarHBondContact CG1-O 3.43Å; I231-I326 PolarHBondContact N-O 3.05Å; I231-I326 PolarHBondContact O-N 2.79Å; M259-I326 HydrophobicContact CB-CB 4.4Å; M259-I326 HydrophobicContact CB-CD1 4.13Å; M259-I326 HydrophobicContact CB-CG1 4.27Å; M259-I326 HydrophobicContact CG-CB 4.18Å; M259-I326 HydrophobicContact CG-CD1 4.37Å; F324-I326 HydrophobicContact CD2-CB 4.47Å; F324-I326 HydrophobicContact CD2-CG2 4.26Å; F324-I326 HydrophobicContact CE2-CG2 3.96Å; I326-R328 PolarHBondContact O-N 2.73Å; I326-Y330 HydrophobicContact CD1-CD1 3.86Å; I326-Y330 HydrophobicContact CD1-CE1 4.27Å; I326-Y330 HydrophobicContact CG1-CD1 4.03Å; I326-F331 HydrophobicContact CD1-CB 4.16Å; I326-F331 HydrophobicContact CD1-CD2 4.27Å; I326-F331 HydrophobicContact CG1-CB 4.42Å; I326-F331 HydrophobicContact CG2-CB 3.83Å; I326-F331 HydrophobicContact CG2-CD2 4.12Å; I326-F331 HydrophobicContact CG2-CG 4.18Å; I326-I355 HydrophobicContact CD1-CD1 4Å
327	N	98.8	Very high	97.6	Very high	24 Å²	24	22 Å²	22	13%	0.128	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	128.9	169.2	175.6	-97	0	0	0	109.7	E229 I252 R256 E329 Y330 F331	E229-N327 PolarHBondContact O-ND2 3.18Å; E229-N327 VanDerWaalsContact O-ND2 3.13Å; I252-N327 HydrophobicContact CG2-CB 4.03Å; R256-N327 HydrophobicContact CB-CB 4.13Å; R256-N327 VanDerWaalsContact O-CB 3.26Å; R256-N327 WeakPolarHBondContact O-CB 3.34Å; N327-E329 PolarHBondContact O-N 3.35Å; N327-E329 PolarHBondContact OD1-N 2.86Å; N327-Y330 PolarHBondContact O-N 2.86Å; N327-Y330 PolarHBondContact OD1-N 3.26Å; N327-F331 PolarHBondContact O-N 3.39Å
328	R	98.7	Very high	97.6	Very high	62 Å²	62	22.3 Å²	22.3	23%	0.234	13%	0.126	C	C	.	.	H	α-helix	trans	-62.5	-47.6	-172.6	-176	-175.7	162.7	-94	9.2	111.8	A223 M224 A226 G228 E229 I231 I326 Y330 F331 L332	A223-R328 PolarHBondContact O-NE 2.98Å; M224-R328 PolarHBondContact O-NH2 3.28Å; A226-R328 WeakPolarHBondContact O-CD 3.01Å; A226-R328 PolarHBondContact O-NE 3.45Å; A226-R328 PolarHBondContact O-NH2 3.39Å; A226-R328 VanDerWaalsContact O-NH2 3.17Å; G228-R328 WeakPolarHBondContact O-CD 3.15Å; E229-R328 PolarHBondContact O-N 3.16Å; I231-R328 HydrophobicContact CG1-CB 4.42Å; I231-R328 HydrophobicContact CG2-CB 3.92Å; I231-R328 HydrophobicContact CG2-CG 3.81Å; I326-R328 PolarHBondContact O-N 2.73Å; R328-Y330 VanDerWaalsContact C-N 3.33Å; R328-Y330 PolarHBondContact O-N 3.13Å; R328-F331 PolarHBondContact O-N 3.44Å; R328-L332 HydrophobicContact CG-CD1 4.24Å; R328-L332 WeakPolarHBondContact O-CG 3.12Å; R328-L332 PolarHBondContact O-N 2.04Å
329	E	98.6	Very high	97.4	Very high	116 Å²	116	25.6 Å²	25.6	54%	0.542	15%	0.147	S	C	.	.	H	α-helix	trans	-61.7	-45	-179.8	-174.5	171	-157	0	0	110.4	N327 F331 L332 E333	N327-E329 PolarHBondContact O-N 3.35Å; N327-E329 PolarHBondContact OD1-N 2.86Å; E329-F331 PolarHBondContact O-N 3.37Å; E329-L332 CarbonylContact O-C 3.56Å; E329-L332 PolarHBondContact O-N 3.38Å; E329-L332 VanDerWaalsContact O-N 3.13Å; E329-E333 HydrophobicContact CG-CG 4.33Å; E329-E333 WeakPolarHBondContact O-CB 3.11Å; E329-E333 VanDerWaalsContact O-CG 3.28Å; E329-E333 WeakPolarHBondContact O-CG 3.39Å; E329-E333 PolarHBondContact O-N 2.87Å
330	Y	98.7	Very high	97.3	Very high	12 Å²	12	26.7 Å²	26.7	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-45.2	174.8	-175.4	-125.3	0	0	0	112.9	T257 I326 N327 R328 L332 E333 L334 G360	T257-Y330 HydrophobicContact CG2-CD2 4.2Å; T257-Y330 HydrophobicContact CG2-CE2 3.98Å; T257-Y330 VanDerWaalsContact O-CE1 3.31Å; T257-Y330 WeakPolarHBondContact O-CE1 3.37Å; I326-Y330 HydrophobicContact CD1-CD1 3.86Å; I326-Y330 HydrophobicContact CD1-CE1 4.27Å; I326-Y330 HydrophobicContact CG1-CD1 4.03Å; N327-Y330 PolarHBondContact O-N 2.86Å; N327-Y330 PolarHBondContact OD1-N 3.26Å; R328-Y330 VanDerWaalsContact C-N 3.33Å; R328-Y330 PolarHBondContact O-N 3.13Å; Y330-L332 VanDerWaalsContact C-N 3.27Å; Y330-L332 PolarHBondContact O-N 3.47Å; Y330-E333 PolarHBondContact O-N 3.28Å; Y330-L334 HydrophobicContact CD1-CD1 4.19Å; Y330-L334 HydrophobicContact CD2-CG 4.33Å; Y330-L334 HydrophobicContact CE1-CD1 3.65Å; Y330-L334 HydrophobicContact CE1-CG 4.36Å; Y330-L334 HydrophobicContact CE2-CD1 4.12Å; Y330-L334 HydrophobicContact CE2-CD2 4.05Å; Y330-L334 HydrophobicContact CE2-CG 3.94Å; Y330-L334 WeakPolarHBondContact O-CB 3.13Å; Y330-L334 WeakPolarHBondContact O-CG 3.2Å; Y330-L334 PolarHBondContact O-N 3.44Å; Y330-G360 WeakPolarHBondContact OH-CA 3.37Å; Y330-G360 PolarHBondContact OH-N 2.93Å
331	F	98.7	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-39.8	176	179.8	-101.9	0	0	0	112.2	A223 I231 F233 I326 N327 R328 E329 A336 Y337 L351	A223-F331 HydrophobicContact CB-CD1 3.69Å; A223-F331 HydrophobicContact CB-CE1 3.55Å; I231-F331 HydrophobicContact CD1-CB 4.1Å; I231-F331 HydrophobicContact CD1-CD1 3.78Å; I231-F331 HydrophobicContact CD1-CE1 4.41Å; I231-F331 HydrophobicContact CD1-CG 3.97Å; F233-F331 HydrophobicContact CE2-CE2 4.48Å; F233-F331 HydrophobicContact CE2-CZ 4.3Å; F233-F331 HydrophobicContact CZ-CE1 4.34Å; F233-F331 HydrophobicContact CZ-CZ 4.31Å; I326-F331 HydrophobicContact CD1-CB 4.16Å; I326-F331 HydrophobicContact CD1-CD2 4.27Å; I326-F331 HydrophobicContact CG1-CB 4.42Å; I326-F331 HydrophobicContact CG2-CB 3.83Å; I326-F331 HydrophobicContact CG2-CD2 4.12Å; I326-F331 HydrophobicContact CG2-CG 4.18Å; N327-F331 PolarHBondContact O-N 3.39Å; R328-F331 PolarHBondContact O-N 3.44Å; E329-F331 PolarHBondContact O-N 3.37Å; F331-A336 HydrophobicContact CD1-CB 4.07Å; F331-A336 HydrophobicContact CE1-CB 3.4Å; F331-A336 HydrophobicContact CZ-CB 3.73Å; F331-A336 WeakPolarHBondContact O-CA 3.29Å; F331-A336 PolarHBondContact O-N 3.27Å; F331-Y337 HydrophobicContact CE2-CE2 4.46Å; F331-Y337 HydrophobicContact CZ-CD2 4.04Å; F331-Y337 HydrophobicContact CZ-CE2 4.08Å; F331-L351 HydrophobicContact CD2-CD1 4.21Å; F331-L351 HydrophobicContact CE2-CD1 4.09Å; F331-L351 HydrophobicContact CE2-CD2 4.15Å
332	L	98.1	Very high	97.3	Very high	56 Å²	56	25.2 Å²	25.2	29%	0.293	14%	0.144	S	C	.	.	H	α-helix	trans	-75.9	-34.7	177.8	-63.3	175.2	0	0	0	112.8	A223 M224 R328 E329 Y330 L334 G335	A223-L332 HydrophobicContact CB-CD2 4.47Å; M224-L332 HydrophobicContact CG-CD2 4.01Å; R328-L332 HydrophobicContact CG-CD1 4.24Å; R328-L332 WeakPolarHBondContact O-CG 3.12Å; R328-L332 PolarHBondContact O-N 2.04Å; E329-L332 CarbonylContact O-C 3.56Å; E329-L332 PolarHBondContact O-N 3.38Å; E329-L332 VanDerWaalsContact O-N 3.13Å; Y330-L332 VanDerWaalsContact C-N 3.27Å; Y330-L332 PolarHBondContact O-N 3.47Å; L332-L334 PolarHBondContact O-N 2.92Å; L332-G335 WeakPolarHBondContact O-CA 3.46Å; L332-G335 PolarHBondContact O-N 3.11Å
333	E	96.9	Very high	97.1	Very high	82 Å²	82	24.8 Å²	24.8	38%	0.383	14%	0.139	S	C	.	.	H	α-helix	trans	-60.5	-36	171.9	-75	172.4	164.6	0	0	111.5	R256 E329 Y330 G335	R256-E333 IonicContact CZ-OE1 3.06Å; R256-E333 IonicContact CZ-OE2 3.47Å; R256-E333 IonicContact NH1-OE1 2.86Å; R256-E333 IonicContact NH1-OE2 3.57Å; R256-E333 PolarHBondContact NH1-OE2 3.03Å; R256-E333 IonicContact NH2-OE1 3.98Å; R256-E333 PolarHBondContact NH2-OE1 3.41Å; R256-E333 IonicContact NH2-OE2 3.46Å; R256-E333 PolarHBondContact NH2-OE2 2.95Å; E329-E333 HydrophobicContact CG-CG 4.33Å; E329-E333 WeakPolarHBondContact O-CB 3.11Å; E329-E333 VanDerWaalsContact O-CG 3.28Å; E329-E333 WeakPolarHBondContact O-CG 3.39Å; E329-E333 PolarHBondContact O-N 2.87Å; Y330-E333 PolarHBondContact O-N 3.28Å; E333-G335 PolarHBondContact O-N 3.45Å
334	L	97.7	Very high	96.8	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	1.8	171.3	-70.9	-176.3	0	0	0	113.5	Y330 L332 A336 K354 I355 C358 L435 L439	Y330-L334 HydrophobicContact CD1-CD1 4.19Å; Y330-L334 HydrophobicContact CD2-CG 4.33Å; Y330-L334 HydrophobicContact CE1-CD1 3.65Å; Y330-L334 HydrophobicContact CE1-CG 4.36Å; Y330-L334 HydrophobicContact CE2-CD1 4.12Å; Y330-L334 HydrophobicContact CE2-CD2 4.05Å; Y330-L334 HydrophobicContact CE2-CG 3.94Å; Y330-L334 WeakPolarHBondContact O-CB 3.13Å; Y330-L334 WeakPolarHBondContact O-CG 3.2Å; Y330-L334 PolarHBondContact O-N 3.44Å; L332-L334 PolarHBondContact O-N 2.92Å; L334-A336 VanDerWaalsContact C-N 3.34Å; L334-K354 HydrophobicContact CB-CD 3.77Å; L334-K354 HydrophobicContact CB-CG 4.48Å; L334-K354 HydrophobicContact CD1-CD 4.39Å; L334-K354 HydrophobicContact CD1-CG 4.46Å; L334-K354 HydrophobicContact CD2-CD 4.33Å; L334-K354 HydrophobicContact CD2-CG 4.14Å; L334-K354 HydrophobicContact CG-CD 4.39Å; L334-K354 VanDerWaalsContact O-CD 3.29Å; L334-K354 WeakPolarHBondContact O-CD 3.37Å; L334-K354 PolarHBondContact O-NZ 3.1Å; L334-K354 VanDerWaalsContact O-NZ 3.11Å; L334-I355 HydrophobicContact CD1-CG1 3.7Å; L334-C358 HydrophobicContact CD2-CB 4.25Å; L334-L435 WeakPolarHBondContact O-CD2 3.49Å; L334-L439 HydrophobicContact CD2-CD1 3.94Å
335	G	96.2	Very high	96.4	Very high	38 Å²	38	28.5 Å²	28.5	39%	0.392	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	23.1	-177.9	0	0	0	0	0	114	L332 E333	L332-G335 WeakPolarHBondContact O-CA 3.46Å; L332-G335 PolarHBondContact O-N 3.11Å; E333-G335 PolarHBondContact O-N 3.45Å
336	A	97.6	Very high	96.3	Very high	10 Å²	10	28.5 Å²	28.5	8%	0.083	15%	0.154	C	C	.	.	S	Bend	trans	54	-141.2	-175	0	0	0	0	0	112	F331 L334 K354	F331-A336 HydrophobicContact CD1-CB 4.07Å; F331-A336 HydrophobicContact CE1-CB 3.4Å; F331-A336 HydrophobicContact CZ-CB 3.73Å; F331-A336 WeakPolarHBondContact O-CA 3.29Å; F331-A336 PolarHBondContact O-N 3.27Å; L334-A336 VanDerWaalsContact C-N 3.34Å; A336-K354 PolarHBondContact O-NZ 3.41Å
337	Y	98.3	Very high	96.2	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.012	16%	0.155	C	C	.	.	S	Bend	trans	-83.1	148.4	165.8	-64	-64.5	0	0	0	111.1	I216 R219 F324 F331 P339 E347 L351	I216-Y337 VanDerWaalsContact CG2-CB 3.49Å; I216-Y337 HydrophobicContact CG2-CD1 4.46Å; I216-Y337 HydrophobicContact CG2-CD2 3.88Å; I216-Y337 HydrophobicContact CG2-CG 3.72Å; R219-Y337 HydrophobicContact CB-CD2 4.42Å; R219-Y337 HydrophobicContact CB-CE2 3.94Å; F324-Y337 VanDerWaalsContact CE1-OH 3.28Å; F324-Y337 WeakPolarHBondContact CE1-OH 3.46Å; F324-Y337 VanDerWaalsContact CZ-OH 3.23Å; F324-Y337 WeakPolarHBondContact CZ-OH 3.38Å; F331-Y337 HydrophobicContact CE2-CE2 4.46Å; F331-Y337 HydrophobicContact CZ-CD2 4.04Å; F331-Y337 HydrophobicContact CZ-CE2 4.08Å; Y337-P339 WeakPolarHBondContact O-CD 3.14Å; Y337-P339 VanDerWaalsContact O-N 3.12Å; Y337-E347 HydrophobicContact CD1-CB 3.82Å; Y337-E347 HydrophobicContact CE1-CB 3.72Å; Y337-E347 HydrophobicContact CE1-CG 4.04Å; Y337-E347 WeakPolarHBondContact CE1-O 3.47Å; Y337-E347 HydrophobicContact CG-CB 4.44Å; Y337-L351 HydrophobicContact CD1-CB 4.24Å; Y337-L351 HydrophobicContact CE1-CB 3.76Å; Y337-L351 HydrophobicContact CE1-CD2 3.83Å; Y337-L351 HydrophobicContact CE1-CG 4.33Å
338	D	98.1	Very high	96.2	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.027	15%	0.152	C	C	.	.			trans	-50.7	116.7	168.6	170.7	20.8	0	0	0	111.2	G340 L341 E350 R400 Q432	D338-G340 PolarHBondContact O-N 2.82Å; D338-G340 VanDerWaalsContact O-N 3.1Å; D338-G340 PolarHBondContact OD1-N 2.93Å; D338-L341 HydrophobicContact CB-CD1 4.09Å; D338-L341 HydrophobicContact CB-CG 3.94Å; D338-L341 WeakPolarHBondContact O-CB 3.36Å; D338-L341 PolarHBondContact O-N 3.15Å; D338-E350 HydrophobicContact CB-CG 4.49Å; D338-E350 PolarHBondContact N-OE1 3.23Å; D338-R400 IonicContact OD1-CZ 2.81Å; D338-R400 IonicContact OD1-NH2 2.77Å; D338-R400 PolarHBondContact OD1-NH2 3.41Å; D338-R400 IonicContact OD2-CZ 3.41Å; D338-R400 VanDerWaalsContact OD2-CZ 3.25Å; D338-R400 IonicContact OD2-NE 3.76Å; D338-R400 PolarHBondContact OD2-NE 2.65Å; D338-R400 IonicContact OD2-NH2 2.91Å; D338-R400 PolarHBondContact OD2-NH2 3.22Å; D338-Q432 HydrophobicContact CB-CG 4.15Å; D338-Q432 VanDerWaalsContact CG-NE2 3.27Å; D338-Q432 PolarHBondContact OD1-NE2 2.84Å
339	P	95.5	Very high	96.2	Very high	70 Å²	70	25.3 Å²	25.3	46%	0.455	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.2	-179.1	27	-35.5	0	0	0	112.9	R217 Y337 L341	R217-P339 VanDerWaalsContact CZ-O 3.24Å; R217-P339 PolarHBondContact NE-O 2.79Å; R217-P339 PolarHBondContact NH2-O 3.22Å; Y337-P339 WeakPolarHBondContact O-CD 3.14Å; Y337-P339 VanDerWaalsContact O-N 3.12Å; P339-L341 VanDerWaalsContact C-N 3.31Å
340	G	95.2	Very high	96.2	Very high	22 Å²	22	19.9 Å²	19.9	23%	0.227	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.4	172.7	0	0	0	0	0	114.5	D338 R400	D338-G340 PolarHBondContact O-N 2.82Å; D338-G340 VanDerWaalsContact O-N 3.1Å; D338-G340 PolarHBondContact OD1-N 2.93Å; G340-R400 WeakPolarHBondContact O-CD 3.1Å
341	L	95.1	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-72.4	128.8	170	-63.1	174.6	0	0	0	109.9	I216 D338 P339 E347 E350 N397 R400 V401	I216-L341 HydrophobicContact CD1-CB 3.73Å; I216-L341 HydrophobicContact CG2-CB 4.13Å; D338-L341 HydrophobicContact CB-CD1 4.09Å; D338-L341 HydrophobicContact CB-CG 3.94Å; D338-L341 WeakPolarHBondContact O-CB 3.36Å; D338-L341 PolarHBondContact O-N 3.15Å; P339-L341 VanDerWaalsContact C-N 3.31Å; L341-E347 HydrophobicContact CD1-CB 4.38Å; L341-E350 HydrophobicContact CD1-CB 3.92Å; L341-E350 HydrophobicContact CD1-CG 3.92Å; L341-N397 HydrophobicContact CD2-CB 3.73Å; L341-R400 HydrophobicContact CD2-CB 4.19Å; L341-V401 HydrophobicContact CD2-CG2 4.04Å
342	L	92.7	Very high	96.2	Very high	13 Å²	13	19.3 Å²	19.3	7%	0.068	11%	0.113	C	C	.	.			trans	-105.4	139.2	-173.5	-58.4	-178.7	0	0	0	111.1	W344 L385 K389 L393 N397	L342-W344 PolarHBondContact O-N 2.96Å; L342-L385 HydrophobicContact CD2-CD2 4.11Å; L342-K389 HydrophobicContact CD1-CG 3.73Å; L342-L393 HydrophobicContact CB-CD1 3.8Å; L342-L393 HydrophobicContact CB-CD2 4.26Å; L342-L393 HydrophobicContact CB-CG 4.14Å; L342-L393 HydrophobicContact CD1-CD1 4.12Å; L342-L393 WeakPolarHBondContact O-CD2 3.43Å; L342-N397 PolarHBondContact N-OD1 3.03Å; L342-N397 PolarHBondContact O-ND2 3.01Å
343	V	88.7	Confident	96.2	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	54.5	-80.1	171.2	-160	0	0	0	0	116.7	L215 I216 F382 L385 L393	L215-V343 WeakPolarHBondContact CB-O 3.21Å; L215-V343 PolarHBondContact N-O 3.15Å; I216-V343 PolarHBondContact N-O 3.4Å; V343-F382 HydrophobicContact CB-CD1 3.82Å; V343-F382 HydrophobicContact CB-CE1 4.41Å; V343-F382 HydrophobicContact CG1-CD1 3.49Å; V343-F382 VanDerWaalsContact CG1-CD1 3.49Å; V343-F382 HydrophobicContact CG1-CE1 4.1Å; V343-F382 HydrophobicContact CG1-CG 4.49Å; V343-F382 HydrophobicContact CG2-CB 4.29Å; V343-F382 HydrophobicContact CG2-CD1 4.36Å; V343-L385 HydrophobicContact CG2-CB 3.91Å; V343-L385 HydrophobicContact CG2-CD2 3.94Å; V343-L393 HydrophobicContact CB-CD2 4.49Å; V343-L393 HydrophobicContact CG2-CD1 4.3Å
344	W	91.5	Very high	96.3	Very high	80 Å²	80	12.7 Å²	12.7	30%	0.303	8%	0.081	S	C	.	.	S	Bend	trans	-157.8	148.2	-176.7	176.8	79.5	0	0	0	110.5	L342 M378 F382 I394 N397	L342-W344 PolarHBondContact O-N 2.96Å; W344-M378 HydrophobicContact CD2-CE 4.17Å; W344-M378 HydrophobicContact CE3-CE 3.91Å; W344-M378 HydrophobicContact CH2-CE 3.74Å; W344-M378 HydrophobicContact CZ2-CE 4.01Å; W344-M378 HydrophobicContact CZ3-CE 3.68Å; W344-F382 HydrophobicContact CB-CE1 4.39Å; W344-I394 HydrophobicContact CE3-CD1 4.06Å; W344-I394 HydrophobicContact CE3-CG1 4.35Å; W344-I394 HydrophobicContact CZ3-CD1 3.8Å; W344-I394 HydrophobicContact CZ3-CG1 4.45Å; W344-N397 PolarHBondContact O-ND2 3.07Å
345	G	91.2	Very high	96.3	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	8%	0.08	C	C	.	.	S	Bend	trans	104.4	128.6	175.7	0	0	0	0	0	111.4	E347 N397	G345-E347 VanDerWaalsContact C-N 3.33Å; G345-E347 VanDerWaalsContact CA-OE2 3.24Å; G345-E347 WeakPolarHBondContact CA-OE2 3.38Å; G345-E347 PolarHBondContact N-OE2 2.88Å; G345-N397 WeakPolarHBondContact O-CB 3.26Å; G345-N397 PolarHBondContact O-ND2 3.38Å
346	G	96.2	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	92.2	-20.5	176.7	0	0	0	0	0	114.1	N348 F349 E350	G346-N348 VanDerWaalsContact C-N 3.27Å; G346-N348 PolarHBondContact O-N 3.39Å; G346-F349 PolarHBondContact O-N 2.79Å; G346-F349 VanDerWaalsContact O-N 3.16Å; G346-E350 WeakPolarHBondContact O-CB 3.41Å; G346-E350 PolarHBondContact O-N 2.85Å
347	E	97.8	Very high	96.5	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.019	6%	0.059	C	C	.	.	H	α-helix	trans	-63.8	-33.7	-179.9	78.5	-68.7	169	0	0	112.7	I216 Y337 L341 G345 F349 L351	I216-E347 HydrophobicContact CD1-CB 3.88Å; I216-E347 HydrophobicContact CD1-CG 4.42Å; I216-E347 HydrophobicContact CG1-CB 3.79Å; I216-E347 HydrophobicContact CG1-CG 3.97Å; I216-E347 HydrophobicContact CG2-CB 4.08Å; Y337-E347 HydrophobicContact CD1-CB 3.82Å; Y337-E347 HydrophobicContact CE1-CB 3.72Å; Y337-E347 HydrophobicContact CE1-CG 4.04Å; Y337-E347 WeakPolarHBondContact CE1-O 3.47Å; Y337-E347 HydrophobicContact CG-CB 4.44Å; L341-E347 HydrophobicContact CD1-CB 4.38Å; G345-E347 VanDerWaalsContact C-N 3.33Å; G345-E347 VanDerWaalsContact CA-OE2 3.24Å; G345-E347 WeakPolarHBondContact CA-OE2 3.38Å; G345-E347 PolarHBondContact N-OE2 2.88Å; E347-F349 VanDerWaalsContact C-N 3.31Å; E347-F349 PolarHBondContact O-N 3.32Å; E347-L351 WeakPolarHBondContact O-CB 3.23Å; E347-L351 PolarHBondContact O-N 2.99Å
348	N	98.2	Very high	96.5	Very high	13 Å²	13	11.5 Å²	11.5	7%	0.07	7%	0.065	C	C	.	.	H	α-helix	trans	-63.9	-40.9	176.9	69.8	-56	0	0	0	110.9	H319 G346 S352	H319-N348 VanDerWaalsContact CE1-CA 3.45Å; H319-N348 WeakPolarHBondContact CE1-CA 3.25Å; H319-N348 PolarHBondContact CE1-O 2.97Å; H319-N348 PolarHBondContact ND1-O 3.06Å; H319-N348 WeakPolarHBondContact O-CB 3.19Å; H319-N348 PolarHBondContact O-ND2 3.26Å; G346-N348 VanDerWaalsContact C-N 3.27Å; G346-N348 PolarHBondContact O-N 3.39Å; N348-S352 VanDerWaalsContact O-CB 3.26Å; N348-S352 WeakPolarHBondContact O-CB 3.39Å; N348-S352 PolarHBondContact O-N 3.03Å; N348-S352 VanDerWaalsContact O-N 3.17Å; N348-S352 PolarHBondContact O-OG 3.34Å
349	F	98.7	Very high	96.5	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-74.2	-44.9	176.6	-64.3	-55.7	0	0	0	112.3	F288 M292 T318 G346 E347 L351 S352 F353 Y398 V401	F288-F349 HydrophobicContact CB-CE1 3.72Å; F288-F349 HydrophobicContact CB-CZ 4.18Å; F288-F349 HydrophobicContact CG-CE1 4.42Å; M292-F349 HydrophobicContact CB-CD2 4.49Å; M292-F349 HydrophobicContact CB-CE2 4.26Å; M292-F349 HydrophobicContact CE-CB 3.69Å; M292-F349 HydrophobicContact CE-CD2 3.6Å; M292-F349 HydrophobicContact CE-CE2 4.42Å; M292-F349 HydrophobicContact CE-CG 3.7Å; M292-F349 WeakPolarHBondContact O-CE2 3.2Å; M292-F349 HydrophobicContact SD-CD2 4.37Å; M292-F349 HydrophobicContact SD-CG 4.43Å; T318-F349 HydrophobicContact CG2-CD1 4Å; T318-F349 HydrophobicContact CG2-CE1 4.19Å; G346-F349 PolarHBondContact O-N 2.79Å; G346-F349 VanDerWaalsContact O-N 3.16Å; E347-F349 VanDerWaalsContact C-N 3.31Å; E347-F349 PolarHBondContact O-N 3.32Å; F349-L351 VanDerWaalsContact C-N 3.34Å; F349-L351 PolarHBondContact O-N 2.84Å; F349-S352 PolarHBondContact O-N 3.2Å; F349-F353 HydrophobicContact CB-CD2 4.12Å; F349-F353 HydrophobicContact CB-CE2 3.56Å; F349-F353 HydrophobicContact CB-CZ 4.04Å; F349-F353 HydrophobicContact CD1-CE2 4.41Å; F349-F353 HydrophobicContact CD1-CZ 4.04Å; F349-F353 HydrophobicContact CG-CE2 4.29Å; F349-F353 HydrophobicContact CG-CZ 4.37Å; F349-F353 WeakPolarHBondContact O-CB 3.45Å; F349-F353 WeakPolarHBondContact O-CD2 3.32Å; F349-F353 WeakPolarHBondContact O-CG 3.09Å; F349-F353 PolarHBondContact O-N 3.3Å; F349-Y398 HydrophobicContact CD2-CE1 4.45Å; F349-Y398 HydrophobicContact CE2-CE1 4.46Å; F349-V401 HydrophobicContact CB-CG1 4.15Å
350	E	98.7	Very high	96.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-52.9	-52.9	177.5	-171	-97	-174.8	0	0	111.1	D338 L341 G346 K354 V401	D338-E350 HydrophobicContact CB-CG 4.49Å; D338-E350 PolarHBondContact N-OE1 3.23Å; L341-E350 HydrophobicContact CD1-CB 3.92Å; L341-E350 HydrophobicContact CD1-CG 3.92Å; G346-E350 WeakPolarHBondContact O-CB 3.41Å; G346-E350 PolarHBondContact O-N 2.85Å; E350-K354 WeakPolarHBondContact O-CB 3.44Å; E350-K354 PolarHBondContact O-N 3.12Å; E350-K354 WeakPolarHBondContact OE1-CE 3.28Å; E350-K354 IonicContact OE1-NZ 3.88Å; E350-K354 PolarHBondContact OE1-NZ 2.9Å; E350-K354 IonicContact OE2-NZ 3.46Å; E350-V401 HydrophobicContact CB-CG1 4.4Å; E350-V401 HydrophobicContact CB-CG2 3.77Å; E350-V401 HydrophobicContact CG-CG2 4.29Å
351	L	98.7	Very high	96.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68	-39.9	-179.1	-178	62.3	0	0	0	111.4	M259 F324 F331 Y337 E347 F349 K354 I355	M259-L351 HydrophobicContact SD-CD2 3.82Å; M259-L351 HydrophobicContact SD-CG 4.29Å; F324-L351 HydrophobicContact CE1-CD2 4.34Å; F324-L351 HydrophobicContact CE2-CD2 3.74Å; F324-L351 HydrophobicContact CZ-CD2 3.62Å; F331-L351 HydrophobicContact CD2-CD1 4.21Å; F331-L351 HydrophobicContact CE2-CD1 4.09Å; F331-L351 HydrophobicContact CE2-CD2 4.15Å; Y337-L351 HydrophobicContact CD1-CB 4.24Å; Y337-L351 HydrophobicContact CE1-CB 3.76Å; Y337-L351 HydrophobicContact CE1-CD2 3.83Å; Y337-L351 HydrophobicContact CE1-CG 4.33Å; E347-L351 WeakPolarHBondContact O-CB 3.23Å; E347-L351 PolarHBondContact O-N 2.99Å; F349-L351 VanDerWaalsContact C-N 3.34Å; F349-L351 PolarHBondContact O-N 2.84Å; L351-K354 PolarHBondContact O-N 3.46Å; L351-I355 HydrophobicContact CD1-CD1 3.76Å; L351-I355 HydrophobicContact CD1-CG1 4.03Å; L351-I355 HydrophobicContact CD2-CD1 4.44Å; L351-I355 HydrophobicContact CG-CD1 3.72Å; L351-I355 HydrophobicContact CG-CG1 4.37Å; L351-I355 WeakPolarHBondContact O-CB 3.39Å; L351-I355 VanDerWaalsContact O-CG1 3.27Å; L351-I355 WeakPolarHBondContact O-CG1 3.16Å; L351-I355 PolarHBondContact O-N 2.98Å
352	S	98.8	Very high	97	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.3	-47.3	178.3	-72.9	0	0	0	0	113.2	T318 H319 N348 F349 K354 W356 I362	T318-S352 WeakPolarHBondContact CA-OG 3.45Å; H319-S352 PolarHBondContact N-OG 2.85Å; H319-S352 PolarHBondContact ND1-OG 2.86Å; N348-S352 VanDerWaalsContact O-CB 3.26Å; N348-S352 WeakPolarHBondContact O-CB 3.39Å; N348-S352 PolarHBondContact O-N 3.03Å; N348-S352 VanDerWaalsContact O-N 3.17Å; N348-S352 PolarHBondContact O-OG 3.34Å; F349-S352 PolarHBondContact O-N 3.2Å; S352-K354 VanDerWaalsContact C-N 3.33Å; S352-W356 PolarHBondContact O-N 3.48Å; S352-W356 VanDerWaalsContact O-N 3.16Å; S352-I362 VanDerWaalsContact CA-CD1 3.49Å; S352-I362 WeakPolarHBondContact OG-CD1 3.39Å
353	F	98.8	Very high	97.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.4	-38.9	178.1	-60.5	-32	0	0	0	111.6	F288 M292 T318 F349 Q357 V401 W405 F406 F444 F447	F288-F353 HydrophobicContact CD1-CE1 4.41Å; F288-F353 HydrophobicContact CD1-CZ 4.41Å; F288-F353 AromaticContact CE1-CE1 3.9Å; F288-F353 HydrophobicContact CE1-CE1 3.9Å; F288-F353 HydrophobicContact CE1-CZ 4.17Å; F288-F353 HydrophobicContact CZ-CE1 4.24Å; F288-F353 HydrophobicContact CZ-CZ 4.31Å; M292-F353 HydrophobicContact CE-CE2 4.05Å; M292-F353 HydrophobicContact SD-CE2 4.43Å; T318-F353 HydrophobicContact CG2-CE1 4.26Å; F349-F353 HydrophobicContact CB-CD2 4.12Å; F349-F353 HydrophobicContact CB-CE2 3.56Å; F349-F353 HydrophobicContact CB-CZ 4.04Å; F349-F353 HydrophobicContact CD1-CE2 4.41Å; F349-F353 HydrophobicContact CD1-CZ 4.04Å; F349-F353 HydrophobicContact CG-CE2 4.29Å; F349-F353 HydrophobicContact CG-CZ 4.37Å; F349-F353 WeakPolarHBondContact O-CB 3.45Å; F349-F353 WeakPolarHBondContact O-CD2 3.32Å; F349-F353 WeakPolarHBondContact O-CG 3.09Å; F349-F353 PolarHBondContact O-N 3.3Å; F353-Q357 VanDerWaalsContact O-CB 3.23Å; F353-Q357 WeakPolarHBondContact O-CB 3.24Å; F353-Q357 WeakPolarHBondContact O-CG 3.49Å; F353-Q357 PolarHBondContact O-N 3.34Å; F353-Q357 PolarHBondContact O-NE2 3.01Å; F353-V401 HydrophobicContact CD2-CG1 3.74Å; F353-V401 HydrophobicContact CE2-CG1 3.91Å; F353-W405 HydrophobicContact CB-CB 3.94Å; F353-W405 HydrophobicContact CB-CD2 4.31Å; F353-W405 HydrophobicContact CB-CG 4.02Å; F353-W405 HydrophobicContact CD2-CB 4.15Å; F353-W405 HydrophobicContact CG-CB 4.43Å; F353-F406 AromaticContact CD2-CE2 3.94Å; F353-F406 HydrophobicContact CD2-CE2 3.94Å; F353-F406 HydrophobicContact CE1-CE2 4.43Å; F353-F406 HydrophobicContact CE2-CD2 4.35Å; F353-F406 AromaticContact CE2-CE2 3.39Å; F353-F406 HydrophobicContact CE2-CE2 3.39Å; F353-F406 HydrophobicContact CE2-CZ 4.13Å; F353-F406 AromaticContact CZ-CE2 3.68Å; F353-F406 HydrophobicContact CZ-CE2 3.68Å; F353-F406 HydrophobicContact CZ-CZ 4.09Å; F353-F444 AromaticContact CD1-CE2 3.89Å; F353-F444 HydrophobicContact CD1-CE2 3.89Å; F353-F444 AromaticContact CE1-CE2 3.88Å; F353-F444 HydrophobicContact CE1-CE2 3.88Å; F353-F444 HydrophobicContact CE1-CZ 4.36Å; F353-F444 HydrophobicContact CG-CE2 4.24Å; F353-F444 HydrophobicContact CZ-CE2 4.21Å; F353-F447 HydrophobicContact CD1-CD1 4.35Å; F353-F447 AromaticContact CD1-CE1 3.76Å; F353-F447 HydrophobicContact CD1-CE1 3.76Å; F353-F447 AromaticContact CD1-CZ 3.83Å; F353-F447 HydrophobicContact CD1-CZ 3.83Å; F353-F447 AromaticContact CE1-CE1 3.63Å; F353-F447 HydrophobicContact CE1-CE1 3.63Å; F353-F447 AromaticContact CE1-CZ 3.85Å; F353-F447 HydrophobicContact CE1-CZ 3.85Å
354	K	98.3	Very high	97.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.7	-54.8	175	-178.5	-178.4	-53	-175.8	0	111.8	L334 A336 E350 L351 S352 W356 C358 W405	L334-K354 HydrophobicContact CB-CD 3.77Å; L334-K354 HydrophobicContact CB-CG 4.48Å; L334-K354 HydrophobicContact CD1-CD 4.39Å; L334-K354 HydrophobicContact CD1-CG 4.46Å; L334-K354 HydrophobicContact CD2-CD 4.33Å; L334-K354 HydrophobicContact CD2-CG 4.14Å; L334-K354 HydrophobicContact CG-CD 4.39Å; L334-K354 VanDerWaalsContact O-CD 3.29Å; L334-K354 WeakPolarHBondContact O-CD 3.37Å; L334-K354 PolarHBondContact O-NZ 3.1Å; L334-K354 VanDerWaalsContact O-NZ 3.11Å; A336-K354 PolarHBondContact O-NZ 3.41Å; E350-K354 WeakPolarHBondContact O-CB 3.44Å; E350-K354 PolarHBondContact O-N 3.12Å; E350-K354 WeakPolarHBondContact OE1-CE 3.28Å; E350-K354 IonicContact OE1-NZ 3.88Å; E350-K354 PolarHBondContact OE1-NZ 2.9Å; E350-K354 IonicContact OE2-NZ 3.46Å; L351-K354 PolarHBondContact O-N 3.46Å; S352-K354 VanDerWaalsContact C-N 3.33Å; K354-W356 PolarHBondContact O-N 3.2Å; K354-C358 WeakPolarHBondContact O-CB 3.38Å; K354-C358 PolarHBondContact O-N 3.45Å; K354-C358 PolarHBondContact O-SG 2.97Å; K354-W405 HydrophobicContact CB-CH2 3.65Å; K354-W405 HydrophobicContact CB-CZ2 3.66Å; K354-W405 HydrophobicContact CB-CZ3 4.12Å; K354-W405 HydrophobicContact CD-CH2 4.34Å; K354-W405 HydrophobicContact CD-CZ2 4.22Å; K354-W405 HydrophobicContact CG-CH2 3.55Å; K354-W405 HydrophobicContact CG-CZ2 3.8Å; K354-W405 HydrophobicContact CG-CZ3 4.32Å
355	I	98.8	Very high	98	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.2	-53.4	-178.5	-72.4	168.7	0	0	0	110.6	M259 I326 L334 L351 C358 G359 G360 I362	M259-I355 HydrophobicContact CB-CD1 3.77Å; M259-I355 HydrophobicContact CE-CD1 4.44Å; M259-I355 HydrophobicContact CG-CD1 4.24Å; M259-I355 HydrophobicContact SD-CD1 3.49Å; M259-I355 WeakPolarHBondContact SD-CD1 3.24Å; I326-I355 HydrophobicContact CD1-CD1 4Å; L334-I355 HydrophobicContact CD1-CG1 3.7Å; L351-I355 HydrophobicContact CD1-CD1 3.76Å; L351-I355 HydrophobicContact CD1-CG1 4.03Å; L351-I355 HydrophobicContact CD2-CD1 4.44Å; L351-I355 HydrophobicContact CG-CD1 3.72Å; L351-I355 HydrophobicContact CG-CG1 4.37Å; L351-I355 WeakPolarHBondContact O-CB 3.39Å; L351-I355 VanDerWaalsContact O-CG1 3.27Å; L351-I355 WeakPolarHBondContact O-CG1 3.16Å; L351-I355 PolarHBondContact O-N 2.98Å; I355-C358 PolarHBondContact O-N 2.84Å; I355-G359 PolarHBondContact O-N 3.35Å; I355-G360 CarbonylContact O-C 3.45Å; I355-G360 WeakPolarHBondContact O-CA 3.43Å; I355-G360 PolarHBondContact O-N 3.16Å; I355-I362 HydrophobicContact CB-CG1 4.43Å; I355-I362 HydrophobicContact CD1-CG1 4.35Å; I355-I362 HydrophobicContact CG2-CG1 4.01Å
356	W	98.8	Very high	98.3	Very high	6 Å²	6	6.6 Å²	6.6	2%	0.023	5%	0.05	C	C	.	.	H	α-helix	trans	-65.7	-43.2	-175.7	-81.5	116.6	0	0	0	113.3	R315 S316 P317 S352 K354 C358 I362 W446 F447 I451	R315-W356 HydrophobicContact CB-CH2 4Å; R315-W356 HydrophobicContact CB-CZ2 4.12Å; R315-W356 HydrophobicContact CG-CH2 3.89Å; R315-W356 HydrophobicContact CG-CZ2 4.43Å; S316-W356 PolarHBondContact O-NE1 3.23Å; P317-W356 PolarHBondContact O-NE1 3.18Å; S352-W356 PolarHBondContact O-N 3.48Å; S352-W356 VanDerWaalsContact O-N 3.16Å; K354-W356 PolarHBondContact O-N 3.2Å; W356-C358 VanDerWaalsContact C-N 3.35Å; W356-I362 HydrophobicContact CZ2-CB 4.28Å; W356-I362 VanDerWaalsContact CZ2-N 3.27Å; W356-I362 WeakPolarHBondContact CZ2-O 3.14Å; W356-W446 WeakPolarHBondContact O-CZ3 3.5Å; W356-F447 HydrophobicContact CB-CD2 3.66Å; W356-F447 HydrophobicContact CB-CE2 3.94Å; W356-F447 AromaticContact CD1-CE2 3.63Å; W356-F447 HydrophobicContact CG-CD2 4.01Å; W356-F447 AromaticContact CG-CE2 3.86Å; W356-F447 HydrophobicContact CG-CE2 3.86Å; W356-I451 HydrophobicContact CD2-CB 4.49Å; W356-I451 HydrophobicContact CD2-CD1 4.23Å; W356-I451 HydrophobicContact CD2-CG1 3.99Å; W356-I451 HydrophobicContact CD2-CG2 3.79Å; W356-I451 HydrophobicContact CE3-CD1 3.58Å; W356-I451 HydrophobicContact CE3-CG1 3.76Å; W356-I451 HydrophobicContact CE3-CG2 4.25Å; W356-I451 HydrophobicContact CG-CG1 4.47Å; W356-I451 HydrophobicContact CG-CG2 4.21Å; W356-I451 HydrophobicContact CH2-CD1 3.99Å; W356-I451 HydrophobicContact CH2-CG2 4.28Å; W356-I451 HydrophobicContact CZ2-CG2 3.81Å; W356-I451 HydrophobicContact CZ3-CD1 3.45Å; W356-I451 VanDerWaalsContact CZ3-CD1 3.45Å; W356-I451 HydrophobicContact CZ3-CG1 4.14Å; W356-I451 HydrophobicContact CZ3-CG2 4.48Å
357	Q	98.7	Very high	98.4	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-72.3	-31.6	-179.2	-71.7	175.9	85.7	0	0	111.5	F353 G359 W405 C441 K442 F447	F353-Q357 VanDerWaalsContact O-CB 3.23Å; F353-Q357 WeakPolarHBondContact O-CB 3.24Å; F353-Q357 WeakPolarHBondContact O-CG 3.49Å; F353-Q357 PolarHBondContact O-N 3.34Å; F353-Q357 PolarHBondContact O-NE2 3.01Å; Q357-G359 PolarHBondContact O-N 3.31Å; Q357-W405 PolarHBondContact OE1-O 2.83Å; Q357-C441 HydrophobicContact CB-CB 4.04Å; Q357-C441 CarbonylContact O-C 3.51Å; Q357-C441 VanDerWaalsContact O-CA 3.27Å; Q357-C441 WeakPolarHBondContact O-CA 3.43Å; Q357-K442 WeakPolarHBondContact CB-O 3.49Å; Q357-K442 WeakPolarHBondContact CG-O 3.44Å; Q357-K442 PolarHBondContact O-N 2.91Å; Q357-K442 PolarHBondContact OE1-O 3.04Å; Q357-F447 HydrophobicContact CG-CB 4.21Å
358	C	98.4	Very high	98.4	Very high	22 Å²	22	6.5 Å²	6.5	15%	0.149	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	24.1	-176.1	-49.3	0	0	0	0	113.6	L334 K354 I355 W356 L439 C441	L334-C358 HydrophobicContact CD2-CB 4.25Å; K354-C358 WeakPolarHBondContact O-CB 3.38Å; K354-C358 PolarHBondContact O-N 3.45Å; K354-C358 PolarHBondContact O-SG 2.97Å; I355-C358 PolarHBondContact O-N 2.84Å; W356-C358 VanDerWaalsContact C-N 3.35Å; C358-L439 HydrophobicContact CB-CB 4.37Å; C358-L439 HydrophobicContact CB-CD1 4.35Å; C358-C441 HydrophobicContact CB-CB 4.08Å; C358-C441 WeakPolarHBondContact CB-SG 3.41Å; C358-C441 WeakPolarHBondContact SG-CB 3.42Å; C358-C441 CovalentContact SG-SG 2.04Å; C358-C441 PolarHBondContact SG-SG 3.16Å
359	G	97.1	Very high	98.4	Very high	54 Å²	54	6.8 Å²	6.8	56%	0.557	5%	0.05	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.5	0.6	166	0	0	0	0	0	116.5	I355 Q357	I355-G359 PolarHBondContact O-N 3.35Å; Q357-G359 PolarHBondContact O-N 3.31Å
360	G	98.5	Very high	98.4	Very high	6 Å²	6	6.7 Å²	6.7	6%	0.062	5%	0.05	C	C	.	.			trans	-90	-170.5	170.6	0	0	0	0	0	112.9	T257 Y330 I355	T257-G360 VanDerWaalsContact O-CA 3.28Å; T257-G360 WeakPolarHBondContact O-CA 3.49Å; Y330-G360 WeakPolarHBondContact OH-CA 3.37Å; Y330-G360 PolarHBondContact OH-N 2.93Å; I355-G360 CarbonylContact O-C 3.45Å; I355-G360 WeakPolarHBondContact O-CA 3.43Å; I355-G360 PolarHBondContact O-N 3.16Å
361	S	98.7	Very high	98.4	Very high	8 Å²	8	6.6 Å²	6.6	6%	0.056	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.6	175.1	58.7	0	0	0	0	112.6	T257 V258 M259	T257-S361 PolarHBondContact O-N 2.95Å; V258-S361 CarbonylContact C-O 3.49Å; V258-S361 WeakPolarHBondContact CA-O 3.31Å; M259-S361 PolarHBondContact N-O 3.39Å
362	I	98.9	Very high	98.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.5	176.1	-58.4	171.9	0	0	0	109	M259 V261 R315 S316 S352 I355 W356	M259-I362 HydrophobicContact CB-CG1 4.41Å; M259-I362 HydrophobicContact CE-CB 4.39Å; M259-I362 HydrophobicContact CE-CD1 3.82Å; M259-I362 HydrophobicContact CE-CG1 3.83Å; M259-I362 HydrophobicContact CE-CG2 3.73Å; M259-I362 CarbonylContact O-C 3.5Å; M259-I362 WeakPolarHBondContact O-CA 3.26Å; V261-I362 HydrophobicContact CG2-CG2 3.93Å; R315-I362 WeakPolarHBondContact CA-O 3.07Å; S316-I362 PolarHBondContact N-O 2.66Å; S352-I362 VanDerWaalsContact CA-CD1 3.49Å; S352-I362 WeakPolarHBondContact OG-CD1 3.39Å; I355-I362 HydrophobicContact CB-CG1 4.43Å; I355-I362 HydrophobicContact CD1-CG1 4.35Å; I355-I362 HydrophobicContact CG2-CG1 4.01Å; W356-I362 HydrophobicContact CZ2-CB 4.28Å; W356-I362 VanDerWaalsContact CZ2-N 3.27Å; W356-I362 WeakPolarHBondContact CZ2-O 3.14Å
363	E	98.7	Very high	98.3	Very high	16 Å²	16	7.7 Å²	7.7	8%	0.075	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.7	179.3	-65.7	-172.8	178.1	0	0	111.2	R254 V258 M259 T260 V261 P313 Y314	R254-E363 IonicContact CZ-OE1 3.63Å; R254-E363 IonicContact CZ-OE2 3.99Å; R254-E363 VanDerWaalsContact NH2-CD 3.31Å; R254-E363 IonicContact NH2-OE1 3.52Å; R254-E363 PolarHBondContact NH2-OE1 2.91Å; R254-E363 IonicContact NH2-OE2 3.74Å; R254-E363 PolarHBondContact NH2-OE2 3.36Å; V258-E363 HydrophobicContact CG1-CB 4.1Å; V258-E363 HydrophobicContact CG1-CG 3.96Å; M259-E363 PolarHBondContact O-N 3.24Å; T260-E363 CarbonylContact C-O 3.08Å; T260-E363 WeakPolarHBondContact CA-O 3.5Å; V261-E363 PolarHBondContact N-O 2.81Å; P313-E363 HydrophobicContact CB-CB 4.22Å; Y314-E363 CarbonylContact O-C 3.59Å; Y314-E363 VanDerWaalsContact O-CA 3.25Å; Y314-E363 WeakPolarHBondContact O-CA 3.18Å
364	W	98.4	Very high	97.9	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.011	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.1	170	-77.5	39	0	0	0	109.2	V261 I263 Y294 P313 Y314 S316 T318 P366	V261-W364 HydrophobicContact CB-CD2 4.46Å; V261-W364 HydrophobicContact CB-CG 4.09Å; V261-W364 HydrophobicContact CG1-CD2 4.28Å; V261-W364 HydrophobicContact CG1-CG 4.42Å; V261-W364 HydrophobicContact CG1-CZ2 4.41Å; V261-W364 CarbonylContact O-C 3.53Å; V261-W364 WeakPolarHBondContact O-CA 3.22Å; I263-W364 HydrophobicContact CD1-CE3 3.81Å; I263-W364 HydrophobicContact CD1-CZ3 4.47Å; Y294-W364 WeakPolarHBondContact OH-CH2 3.27Å; Y294-W364 VanDerWaalsContact OH-CZ2 3.32Å; Y294-W364 WeakPolarHBondContact OH-CZ2 3.35Å; P313-W364 CarbonylContact C-O 3.58Å; P313-W364 WeakPolarHBondContact CA-O 3.37Å; Y314-W364 HydrophobicContact CD2-CB 4.05Å; Y314-W364 HydrophobicContact CE1-CB 4.16Å; Y314-W364 HydrophobicContact CE2-CB 3.49Å; Y314-W364 VanDerWaalsContact CE2-CB 3.49Å; Y314-W364 HydrophobicContact CE2-CD2 4.4Å; Y314-W364 HydrophobicContact CE2-CE3 4.44Å; Y314-W364 HydrophobicContact CE2-CG 4.04Å; Y314-W364 PolarHBondContact N-O 2.86Å; Y314-W364 PolarHBondContact O-N 3.5Å; S316-W364 PolarHBondContact OG-NE1 3.13Å; T318-W364 PolarHBondContact O-NE1 3.05Å; W364-P366 WeakPolarHBondContact O-CD 3.17Å
365	V	98.4	Very high	97.5	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.012	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	98.3	-167.2	-177.5	0	0	0	0	110.2	P247 L248 P251 T260 V261 P313 C367 S368	P247-V365 HydrophobicContact CB-CG1 3.79Å; P247-V365 WeakPolarHBondContact O-CG1 3.23Å; L248-V365 HydrophobicContact CD1-CB 4.49Å; L248-V365 HydrophobicContact CD1-CG2 4.31Å; P251-V365 HydrophobicContact CG-CG2 4.37Å; T260-V365 HydrophobicContact CG2-CG2 3.97Å; V261-V365 PolarHBondContact O-N 3.42Å; P313-V365 HydrophobicContact CB-CG2 4.29Å; P313-V365 HydrophobicContact CG-CG1 4.37Å; P313-V365 HydrophobicContact CG-CG2 4.26Å; V365-C367 PolarHBondContact O-N 3.32Å; V365-C367 VanDerWaalsContact O-N 3.12Å; V365-S368 PolarHBondContact O-N 3.09Å; V365-S368 VanDerWaalsContact O-O 3.05Å
366	P	97.1	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	-35	-177.4	-31.6	36.3	0	0	0	116.3	L129 Y314 W364 R369	L129-P366 HydrophobicContact CD1-CB 4.32Å; Y314-P366 HydrophobicContact CD1-CG 4.13Å; Y314-P366 HydrophobicContact CE1-CG 3.81Å; W364-P366 WeakPolarHBondContact O-CD 3.17Å; P366-R369 PolarHBondContact O-NE 3.23Å
367	C	97.6	Very high	95.9	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.02	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-9	-178.2	-60.4	0	0	0	0	114.2	R128 C132 P247 V365	R128-C367 WeakPolarHBondContact CD-O 3.21Å; C132-C367 WeakPolarHBondContact CA-SG 3.46Å; C132-C367 HydrophobicContact CB-CB 3.62Å; C132-C367 WeakPolarHBondContact CB-SG 3.5Å; C132-C367 WeakPolarHBondContact SG-CA 3.21Å; C132-C367 WeakPolarHBondContact SG-CB 3.31Å; C132-C367 CovalentContact SG-SG 2.05Å; C132-C367 PolarHBondContact SG-SG 2.67Å; P247-C367 HydrophobicContact CB-CB 3.87Å; P247-C367 HydrophobicContact CG-CB 4.14Å; V365-C367 PolarHBondContact O-N 3.32Å; V365-C367 VanDerWaalsContact O-N 3.12Å
368	S	98.6	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.4	169.6	-169.8	0	0	0	0	108.7	W244 P262 I263 V365	W244-S368 VanDerWaalsContact O-CB 3.26Å; W244-S368 WeakPolarHBondContact O-CB 3.5Å; W244-S368 PolarHBondContact O-OG 2.85Å; P262-S368 CarbonylContact C-O 3.57Å; P262-S368 WeakPolarHBondContact CA-O 3.27Å; P262-S368 WeakPolarHBondContact CB-O 3.47Å; I263-S368 PolarHBondContact N-O 2.84Å; V365-S368 PolarHBondContact O-N 3.09Å; V365-S368 VanDerWaalsContact O-O 3.05Å
369	R	98.2	Very high	94.1	Very high	18 Å²	18	28 Å²	28	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.4	-178.1	-66.4	-93.6	173	158.6	10.6	109.3	T127 R128 N241 I263 D265 P366	T127-R369 VanDerWaalsContact O-CZ 3.31Å; T127-R369 PolarHBondContact O-NH2 3.03Å; R128-R369 HydrophobicContact CG-CB 4.43Å; R128-R369 HydrophobicContact CG-CG 3.68Å; N241-R369 HydrophobicContact CB-CB 3.69Å; N241-R369 VanDerWaalsContact CB-O 3.27Å; N241-R369 WeakPolarHBondContact CB-O 3.28Å; N241-R369 PolarHBondContact N-O 3.5Å; I263-R369 WeakPolarHBondContact O-CA 3.42Å; D265-R369 IonicContact OD1-NH1 3.06Å; D265-R369 PolarHBondContact OD1-NH1 3.06Å; D265-R369 WeakPolarHBondContact OD2-CD 3.32Å; P366-R369 PolarHBondContact O-NE 3.23Å
370	V	98.8	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.6	174.5	-178.3	0	0	0	0	108.6	L234 C238 V240 W244 P262 I263 I264 D265 L323	L234-V370 HydrophobicContact CD2-CG1 4.18Å; L234-V370 HydrophobicContact CD2-CG2 4.46Å; C238-V370 HydrophobicContact CB-CG1 3.87Å; V240-V370 HydrophobicContact CB-CG2 4.34Å; V240-V370 HydrophobicContact CG1-CG1 4.06Å; V240-V370 HydrophobicContact CG1-CG2 4Å; W244-V370 HydrophobicContact CE3-CG2 3.83Å; W244-V370 HydrophobicContact CZ3-CG2 4.3Å; P262-V370 HydrophobicContact CB-CB 4.45Å; P262-V370 HydrophobicContact CB-CG2 3.84Å; P262-V370 HydrophobicContact CG-CB 4.27Å; P262-V370 HydrophobicContact CG-CG2 3.79Å; I263-V370 PolarHBondContact O-N 3.17Å; I264-V370 CarbonylContact C-O 3.59Å; I264-V370 WeakPolarHBondContact CA-O 3.3Å; D265-V370 PolarHBondContact N-O 2.86Å; L323-V370 HydrophobicContact CD1-CB 3.95Å; L323-V370 HydrophobicContact CD1-CG1 3.73Å
371	G	98.4	Very high	91.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.7	171.9	0	0	0	0	0	110.8	C238 E239 D265 Y274	C238-G371 CarbonylContact C-O 3.59Å; C238-G371 WeakPolarHBondContact CA-O 3.3Å; C238-G371 WeakPolarHBondContact CB-O 3.5Å; E239-G371 PolarHBondContact N-O 2.95Å; E239-G371 PolarHBondContact O-N 3.32Å; D265-G371 CarbonylContact O-C 3.46Å; D265-G371 WeakPolarHBondContact O-CA 3.44Å; Y274-G371 PolarHBondContact OH-N 3.41Å
372	H	98.2	Very high	90.3	Very high	20 Å²	20	36.1 Å²	36.1	9%	0.093	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.3	178.6	-176.5	-79.9	0	0	0	110.6	D235 H237 C238 I264 D265 I267 L323 Y374	D235-H372 IonicContact OD2-CD2 2.74Å; D235-H372 IonicContact OD2-NE2 3.55Å; D235-H372 PolarHBondContact OD2-NE2 2.99Å; H237-H372 AromaticContact CD2-CE1 3.52Å; H237-H372 AromaticContact CD2-NE2 3.54Å; H237-H372 AromaticContact NE2-CE1 3.33Å; H237-H372 PolarHBondContact NE2-CE1 2.64Å; H237-H372 VanDerWaalsContact NE2-CE1 3.33Å; H237-H372 AromaticContact NE2-NE2 3.27Å; H237-H372 PolarHBondContact NE2-NE2 3Å; C238-H372 VanDerWaalsContact SG-CD2 3.53Å; I264-H372 HydrophobicContact CG2-CB 3.62Å; D265-H372 PolarHBondContact O-N 3.41Å; I267-H372 PolarHBondContact N-O 3.47Å; L323-H372 HydrophobicContact CD1-CB 4.42Å; H372-Y374 PolarHBondContact O-N 2.88Å
373	V	97.2	Very high	89.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.2	175.1	-175.8	0	0	0	0	110.3	M110 H237 I267 H269 F272 R375	M110-V373 HydrophobicContact CB-CG1 4.16Å; M110-V373 HydrophobicContact CE-CG1 4.47Å; M110-V373 HydrophobicContact SD-CB 4.37Å; M110-V373 HydrophobicContact SD-CG1 3.85Å; H237-V373 HydrophobicContact CB-CB 4.11Å; H237-V373 HydrophobicContact CB-CG2 4.21Å; H237-V373 PolarHBondContact CD2-O 3.43Å; H237-V373 VanDerWaalsContact CD2-O 3.24Å; H237-V373 WeakPolarHBondContact O-CG2 3.42Å; H237-V373 PolarHBondContact O-N 2.86Å; I267-V373 HydrophobicContact CB-CG2 3.77Å; I267-V373 HydrophobicContact CD1-CG2 4.4Å; I267-V373 HydrophobicContact CG2-CG2 3.78Å; I267-V373 WeakPolarHBondContact O-CA 3.4Å; H269-V373 HydrophobicContact CB-CG1 3.76Å; F272-V373 HydrophobicContact CE1-CG2 4.28Å; V373-R375 PolarHBondContact O-N 2.82Å
374	Y	89.9	Confident	88.1	Confident	120 Å²	120	45 Å²	45	47%	0.471	23%	0.226	S	C	.	.			trans	-81.8	105.2	170.4	-64.8	-80.1	0	0	0	110.3	H269 H372	H269-Y374 WeakPolarHBondContact CB-O 3.43Å; H269-Y374 PolarHBondContact ND1-O 2.81Å; H372-Y374 PolarHBondContact O-N 2.88Å
375	R	89.3	Confident	87	Confident	51 Å²	51	45.6 Å²	45.6	19%	0.192	23%	0.23	C	C	.	.			trans	-60.2	149.9	179.1	-58.9	-175.8	-167.8	-109.7	-2.1	112.1	Y108 G109 M110 E153 H237 V373 F377	Y108-R375 PolarHBondContact O-NH1 3.38Å; G109-R375 WeakPolarHBondContact O-CA 3.25Å; M110-R375 HydrophobicContact CE-CG 4.1Å; M110-R375 VanDerWaalsContact CE-NH2 3.31Å; E153-R375 IonicContact OE1-CZ 3.15Å; E153-R375 IonicContact OE1-NH1 3.53Å; E153-R375 PolarHBondContact OE1-NH1 3.46Å; E153-R375 IonicContact OE1-NH2 3.03Å; E153-R375 PolarHBondContact OE1-NH2 2.95Å; E153-R375 IonicContact OE2-CZ 3.99Å; E153-R375 IonicContact OE2-NH2 2.64Å; E153-R375 PolarHBondContact OE2-NH2 2.96Å; H237-R375 PolarHBondContact CE1-NH2 2.79Å; H237-R375 PolarHBondContact ND1-NH2 2.87Å; V373-R375 PolarHBondContact O-N 2.82Å; R375-F377 VanDerWaalsContact C-N 3.25Å; R375-F377 VanDerWaalsContact CB-O 3.23Å; R375-F377 WeakPolarHBondContact CB-O 3.16Å; R375-F377 PolarHBondContact O-N 3.12Å
376	G	80.9	Confident	85.8	Confident	51 Å²	51	46.8 Å²	46.8	53%	0.526	24%	0.24	S	C	.	.	S	Bend	trans	-66.2	-26.6	172.2	0	0	0	0	0	113.6	G109	G109-G376 PolarHBondContact O-N 2.73Å
377	F	83.7	Confident	84.8	Confident	96 Å²	96	51.3 Å²	51.3	42%	0.421	27%	0.272	S	S	.	.	S	Bend	trans	-158.4	168.4	173.4	62.6	-83.9	0	0	0	110.2	E105 M106 G109 R375 P379	E105-F377 WeakPolarHBondContact O-CE1 3.31Å; E105-F377 VanDerWaalsContact O-CZ 3.29Å; E105-F377 WeakPolarHBondContact O-CZ 3.43Å; M106-F377 VanDerWaalsContact O-CZ 3.25Å; M106-F377 WeakPolarHBondContact O-CZ 3.42Å; G109-F377 VanDerWaalsContact CA-CE1 3.49Å; R375-F377 VanDerWaalsContact C-N 3.25Å; R375-F377 VanDerWaalsContact CB-O 3.23Å; R375-F377 WeakPolarHBondContact CB-O 3.16Å; R375-F377 PolarHBondContact O-N 3.12Å; F377-P379 HydrophobicContact CE2-CB 4Å; F377-P379 WeakPolarHBondContact O-CD 3.39Å
378	M	80.7	Confident	83.7	Confident	96 Å²	96	58.5 Å²	58.5	47%	0.473	30%	0.303	S	S	.	.			trans	-80.6	114	172.9	-72.9	-174.1	163.8	0	0	110.3	W344 Y380	W344-M378 HydrophobicContact CD2-CE 4.17Å; W344-M378 HydrophobicContact CE3-CE 3.91Å; W344-M378 HydrophobicContact CH2-CE 3.74Å; W344-M378 HydrophobicContact CZ2-CE 4.01Å; W344-M378 HydrophobicContact CZ3-CE 3.68Å; M378-Y380 VanDerWaalsContact C-N 3.3Å; M378-Y380 PolarHBondContact O-N 2.96Å
379	P	79.8	Confident	82.8	Confident	43 Å²	43	62 Å²	62	28%	0.279	32%	0.318	S	S	.	.			trans	-83.2	-2.5	-171.4	34.3	-37.2	0	0	0	114.2	E107 F377	E107-P379 WeakPolarHBondContact O-CB 3.43Å; F377-P379 HydrophobicContact CE2-CB 4Å; F377-P379 WeakPolarHBondContact O-CD 3.39Å
380	Y	71.4	Confident	81.9	Confident	68 Å²	68	67.6 Å²	67.6	27%	0.267	34%	0.343	S	S	.	.	S	Bend	trans	-121.2	145.5	-178	49.3	-98.4	0	0	0	111.6	M378	M378-Y380 VanDerWaalsContact C-N 3.3Å; M378-Y380 PolarHBondContact O-N 2.96Å
381	N	72.1	Confident	81.2	Confident	120 Å²	120	68.9 Å²	68.9	64%	0.642	36%	0.356	S	S	*	.			trans	-82.4	162.3	166.1	63.4	43.4	0	0	0	110.5	R212 G383	R212-N381 PolarHBondContact NH1-O 3.19Å; N381-G383 PolarHBondContact O-N 3.21Å; N381-G383 WeakPolarHBondContact OD1-CA 3.05Å; N381-G383 PolarHBondContact OD1-N 3.02Å
382	F	71.1	Confident	80.7	Confident	50 Å²	50	72.1 Å²	72.1	22%	0.219	38%	0.377	C	S	.	.			trans	-75.8	5.3	175.2	-62.9	-49.6	0	0	0	113.7	V343 W344 A386 I394	V343-F382 HydrophobicContact CB-CD1 3.82Å; V343-F382 HydrophobicContact CB-CE1 4.41Å; V343-F382 HydrophobicContact CG1-CD1 3.49Å; V343-F382 VanDerWaalsContact CG1-CD1 3.49Å; V343-F382 HydrophobicContact CG1-CE1 4.1Å; V343-F382 HydrophobicContact CG1-CG 4.49Å; V343-F382 HydrophobicContact CG2-CB 4.29Å; V343-F382 HydrophobicContact CG2-CD1 4.36Å; W344-F382 HydrophobicContact CB-CE1 4.39Å; F382-A386 HydrophobicContact CB-CB 3.43Å; F382-A386 VanDerWaalsContact CB-CB 3.43Å; F382-A386 HydrophobicContact CG-CB 4.45Å; F382-A386 PolarHBondContact O-N 2.77Å; F382-I394 HydrophobicContact CE2-CD1 4.26Å; F382-I394 HydrophobicContact CE2-CG1 4.39Å; F382-I394 HydrophobicContact CZ-CD1 3.98Å; F382-I394 HydrophobicContact CZ-CG1 4.15Å
383	G	74.1	Confident	80.3	Confident	29 Å²	29	71.7 Å²	71.7	30%	0.299	38%	0.375	S	S	.	.	H	α-helix	trans	55.5	-153.7	174.1	0	0	0	0	0	115.3	N381 L385 A386	N381-G383 PolarHBondContact O-N 3.21Å; N381-G383 WeakPolarHBondContact OD1-CA 3.05Å; N381-G383 PolarHBondContact OD1-N 3.02Å; G383-L385 PolarHBondContact O-N 3.03Å; G383-A386 PolarHBondContact O-N 3.47Å
384	K	76.6	Confident	80.1	Confident	172 Å²	172	73.8 Å²	73.8	75%	0.748	39%	0.386	S	S	*	.	H	α-helix	trans	-64	-22.3	-178.9	-68.5	-176.4	-179.2	176.4	0	113.6	S387 K388	K384-S387 WeakPolarHBondContact CA-OG 3.49Å; K384-S387 PolarHBondContact O-N 3.16Å; K384-S387 PolarHBondContact O-OG 2.71Å; K384-K388 WeakPolarHBondContact O-CG 3.2Å; K384-K388 PolarHBondContact O-N 2.83Å
385	L	75.8	Confident	80.3	Confident	16 Å²	16	69.3 Å²	69.3	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-42.7	177.4	-111.4	68.5	0	0	0	110.9	R212 L342 V343 G383 K388	R212-L385 VanDerWaalsContact O-CD1 3.27Å; R212-L385 WeakPolarHBondContact O-CD1 3.37Å; L342-L385 HydrophobicContact CD2-CD2 4.11Å; V343-L385 HydrophobicContact CG2-CB 3.91Å; V343-L385 HydrophobicContact CG2-CD2 3.94Å; G383-L385 PolarHBondContact O-N 3.03Å; L385-K388 PolarHBondContact O-N 3.4Å
386	A	72.6	Confident	80.6	Confident	27 Å²	27	67 Å²	67	22%	0.223	36%	0.363	C	S	.	.	H	α-helix	trans	-66.8	-39.9	175.6	0	0	0	0	0	113	F382 G383 K388 K389 L393	F382-A386 HydrophobicContact CB-CB 3.43Å; F382-A386 VanDerWaalsContact CB-CB 3.43Å; F382-A386 HydrophobicContact CG-CB 4.45Å; F382-A386 PolarHBondContact O-N 2.77Å; G383-A386 PolarHBondContact O-N 3.47Å; A386-K388 PolarHBondContact O-N 3.21Å; A386-K388 VanDerWaalsContact O-N 3.12Å; A386-K389 PolarHBondContact O-N 3.26Å; A386-L393 HydrophobicContact CB-CD1 3.82Å
387	S	75.3	Confident	81.4	Confident	96 Å²	96	64.6 Å²	64.6	67%	0.671	34%	0.338	S	S	*	.	H	α-helix	trans	-65.2	-17.5	-178.9	61	0	0	0	0	113.9	K384 K389	K384-S387 WeakPolarHBondContact CA-OG 3.49Å; K384-S387 PolarHBondContact O-N 3.16Å; K384-S387 PolarHBondContact O-OG 2.71Å; S387-K389 VanDerWaalsContact C-N 3.27Å
388	K	74.4	Confident	82	Confident	153 Å²	153	61.3 Å²	61.3	67%	0.665	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.6	175.3	-71.1	175.4	-176.5	179.6	0	113	K384 L385 A386	K384-K388 WeakPolarHBondContact O-CG 3.2Å; K384-K388 PolarHBondContact O-N 2.83Å; L385-K388 PolarHBondContact O-N 3.4Å; A386-K388 PolarHBondContact O-N 3.21Å; A386-K388 VanDerWaalsContact O-N 3.12Å
389	K	79.5	Confident	82.9	Confident	74 Å²	74	57.7 Å²	57.7	32%	0.322	30%	0.304	S	S	.	.	S	Bend	trans	-117.2	140.4	-177.5	-68.3	-63.7	-172.5	173.6	0	111.2	L342 A386 S387 I396	L342-K389 HydrophobicContact CD1-CG 3.73Å; A386-K389 PolarHBondContact O-N 3.26Å; S387-K389 VanDerWaalsContact C-N 3.27Å; K389-I396 HydrophobicContact CB-CD1 3.89Å
390	K	80.1	Confident	83.7	Confident	136 Å²	136	56.4 Å²	56.4	59%	0.591	29%	0.294	S	S	*	.	S	Bend	trans	-92.3	113.6	178.7	-83.8	-178	168.5	-143.8	0	109.3	W591	K390-W591 HydrophobicContact CB-CB 3.74Å; K390-W591 HydrophobicContact CD-CB 4.33Å; K390-W591 WeakPolarHBondContact CD-OXT 3.42Å; K390-W591 WeakPolarHBondContact CE-OXT 3.33Å; K390-W591 HydrophobicContact CG-CB 4.25Å; K390-W591 WeakPolarHBondContact CG-OXT 3.33Å; K390-W591 PolarHBondContact NZ-O 3.39Å; K390-W591 PolarHBondContact NZ-OXT 3.4Å
391	G	84.1	Confident	85	Confident	27 Å²	27	53.2 Å²	53.2	28%	0.278	28%	0.282	S	S	.	.	S	Bend	trans	105.3	179	-178.4	0	0	0	0	0	114.3	L393	G391-L393 PolarHBondContact O-N 3.36Å
392	P	88.5	Confident	86.3	Confident	67 Å²	67	47.5 Å²	47.5	44%	0.435	25%	0.251	S	S	.	.			trans	-66.5	114	-177.4	24.3	-33.2	0	0	0	112.1	I394 T395 I396 L424	P392-I394 VanDerWaalsContact C-N 3.33Å; P392-I394 PolarHBondContact O-N 2.82Å; P392-T395 PolarHBondContact O-N 3.39Å; P392-T395 VanDerWaalsContact O-N 3.1Å; P392-I396 WeakPolarHBondContact O-CG1 3.45Å; P392-I396 PolarHBondContact O-N 3.02Å; P392-L424 HydrophobicContact CG-CD1 4.4Å
393	L	90	Very high	87.6	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.063	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-41.9	-175.3	178.5	147.4	0	0	0	113.4	L342 V343 A386 G391 T395 I396 N397	L342-L393 HydrophobicContact CB-CD1 3.8Å; L342-L393 HydrophobicContact CB-CD2 4.26Å; L342-L393 HydrophobicContact CB-CG 4.14Å; L342-L393 HydrophobicContact CD1-CD1 4.12Å; L342-L393 WeakPolarHBondContact O-CD2 3.43Å; V343-L393 HydrophobicContact CB-CD2 4.49Å; V343-L393 HydrophobicContact CG2-CD1 4.3Å; A386-L393 HydrophobicContact CB-CD1 3.82Å; G391-L393 PolarHBondContact O-N 3.36Å; L393-T395 VanDerWaalsContact C-N 3.34Å; L393-T395 PolarHBondContact O-N 2.77Å; L393-I396 WeakPolarHBondContact O-CB 3.48Å; L393-I396 PolarHBondContact O-N 2.82Å; L393-N397 PolarHBondContact O-N 2.79Å
394	I	92.3	Very high	88.8	Confident	45 Å²	45	46.2 Å²	46.2	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-41.9	179.3	-62.8	165.2	0	0	0	110.6	W344 F382 P392 I396 N397 Y398	W344-I394 HydrophobicContact CE3-CD1 4.06Å; W344-I394 HydrophobicContact CE3-CG1 4.35Å; W344-I394 HydrophobicContact CZ3-CD1 3.8Å; W344-I394 HydrophobicContact CZ3-CG1 4.45Å; F382-I394 HydrophobicContact CE2-CD1 4.26Å; F382-I394 HydrophobicContact CE2-CG1 4.39Å; F382-I394 HydrophobicContact CZ-CD1 3.98Å; F382-I394 HydrophobicContact CZ-CG1 4.15Å; P392-I394 VanDerWaalsContact C-N 3.33Å; P392-I394 PolarHBondContact O-N 2.82Å; I394-I396 VanDerWaalsContact C-N 3.32Å; I394-I396 PolarHBondContact O-N 3.47Å; I394-N397 WeakPolarHBondContact O-CB 3.44Å; I394-N397 PolarHBondContact O-N 3.02Å; I394-Y398 HydrophobicContact CG2-CD1 4.32Å; I394-Y398 HydrophobicContact CG2-CD2 4.24Å; I394-Y398 HydrophobicContact CG2-CE1 3.7Å; I394-Y398 HydrophobicContact CG2-CE2 3.62Å; I394-Y398 WeakPolarHBondContact CG2-OH 3.08Å; I394-Y398 WeakPolarHBondContact O-CD1 3.42Å; I394-Y398 VanDerWaalsContact O-CG 3.31Å; I394-Y398 PolarHBondContact O-N 3.09Å
395	T	94.2	Very high	89.8	Confident	26 Å²	26	38.1 Å²	38.1	16%	0.16	20%	0.203	C	C	.	.	H	α-helix	trans	-69	-32	177.2	-43.9	0	0	0	0	111.9	P392 L393 Y398 K399 F414 A421 L424	P392-T395 PolarHBondContact O-N 3.39Å; P392-T395 VanDerWaalsContact O-N 3.1Å; L393-T395 VanDerWaalsContact C-N 3.34Å; L393-T395 PolarHBondContact O-N 2.77Å; T395-Y398 PolarHBondContact O-N 2.88Å; T395-K399 WeakPolarHBondContact O-CB 3.5Å; T395-K399 PolarHBondContact O-N 3.21Å; T395-F414 HydrophobicContact CG2-CZ 4.28Å; T395-A421 HydrophobicContact CG2-CB 3.71Å; T395-L424 HydrophobicContact CG2-CD1 3.63Å
396	I	95.4	Very high	90.9	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-46.2	171.1	-67.2	171.5	0	0	0	110	K389 P392 L393 I394 K399 R400 L424	K389-I396 HydrophobicContact CB-CD1 3.89Å; P392-I396 WeakPolarHBondContact O-CG1 3.45Å; P392-I396 PolarHBondContact O-N 3.02Å; L393-I396 WeakPolarHBondContact O-CB 3.48Å; L393-I396 PolarHBondContact O-N 2.82Å; I394-I396 VanDerWaalsContact C-N 3.32Å; I394-I396 PolarHBondContact O-N 3.47Å; I396-K399 PolarHBondContact O-N 3.1Å; I396-R400 PolarHBondContact O-N 3.28Å; I396-R400 VanDerWaalsContact O-N 3.09Å; I396-L424 HydrophobicContact CD1-CD2 4.41Å; I396-L424 HydrophobicContact CG1-CB 4.3Å; I396-L424 HydrophobicContact CG1-CD1 4.06Å; I396-L424 HydrophobicContact CG1-CD2 4.03Å; I396-L424 HydrophobicContact CG1-CG 4.37Å
397	N	96.9	Very high	92.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-47.8	174.2	-72.7	-7.2	0	0	0	111.3	L341 L342 W344 G345 L393 I394 K399 R400 V401	L341-N397 HydrophobicContact CD2-CB 3.73Å; L342-N397 PolarHBondContact N-OD1 3.03Å; L342-N397 PolarHBondContact O-ND2 3.01Å; W344-N397 PolarHBondContact O-ND2 3.07Å; G345-N397 WeakPolarHBondContact O-CB 3.26Å; G345-N397 PolarHBondContact O-ND2 3.38Å; L393-N397 PolarHBondContact O-N 2.79Å; I394-N397 WeakPolarHBondContact O-CB 3.44Å; I394-N397 PolarHBondContact O-N 3.02Å; N397-K399 VanDerWaalsContact C-N 3.28Å; N397-K399 PolarHBondContact O-N 2.9Å; N397-R400 WeakPolarHBondContact O-CB 3.46Å; N397-R400 PolarHBondContact O-N 3.22Å; N397-R400 VanDerWaalsContact O-N 3.13Å; N397-V401 WeakPolarHBondContact O-CG2 3.22Å; N397-V401 PolarHBondContact O-N 3.29Å; N397-V401 VanDerWaalsContact O-N 3.09Å
398	Y	98.3	Very high	93.2	Very high	26 Å²	26	39.3 Å²	39.3	10%	0.102	20%	0.197	C	C	.	.	H	α-helix	trans	-56.4	-43.5	176.2	-64.3	-15.8	0	0	0	111.7	M292 F349 I394 T395 R400 V401 I402 F414	M292-Y398 HydrophobicContact CB-CD1 4.09Å; M292-Y398 HydrophobicContact CB-CD2 3.63Å; M292-Y398 HydrophobicContact CB-CE1 4.29Å; M292-Y398 HydrophobicContact CB-CE2 3.83Å; M292-Y398 HydrophobicContact CB-CG 3.77Å; M292-Y398 HydrophobicContact CG-CD2 4.46Å; M292-Y398 HydrophobicContact CG-CG 4.31Å; M292-Y398 PolarHBondContact O-OH 3.45Å; F349-Y398 HydrophobicContact CD2-CE1 4.45Å; F349-Y398 HydrophobicContact CE2-CE1 4.46Å; I394-Y398 HydrophobicContact CG2-CD1 4.32Å; I394-Y398 HydrophobicContact CG2-CD2 4.24Å; I394-Y398 HydrophobicContact CG2-CE1 3.7Å; I394-Y398 HydrophobicContact CG2-CE2 3.62Å; I394-Y398 WeakPolarHBondContact CG2-OH 3.08Å; I394-Y398 WeakPolarHBondContact O-CD1 3.42Å; I394-Y398 VanDerWaalsContact O-CG 3.31Å; I394-Y398 PolarHBondContact O-N 3.09Å; T395-Y398 PolarHBondContact O-N 2.88Å; Y398-R400 VanDerWaalsContact C-N 3.35Å; Y398-R400 PolarHBondContact O-N 2.89Å; Y398-V401 WeakPolarHBondContact O-CB 3.48Å; Y398-V401 PolarHBondContact O-N 3.36Å; Y398-V401 VanDerWaalsContact O-N 3.13Å; Y398-I402 WeakPolarHBondContact O-CB 3.47Å; Y398-I402 WeakPolarHBondContact O-CG1 3.43Å; Y398-I402 PolarHBondContact O-N 3.14Å; Y398-F414 HydrophobicContact CD2-CE2 4.45Å
399	K	97.9	Very high	94.3	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-42.8	177.2	-171.5	173.5	-177.2	168.8	0	112.4	T395 I396 N397 V401 I402 E403 Y415 A421 R422 L424 M426	T395-K399 WeakPolarHBondContact O-CB 3.5Å; T395-K399 PolarHBondContact O-N 3.21Å; I396-K399 PolarHBondContact O-N 3.1Å; N397-K399 VanDerWaalsContact C-N 3.28Å; N397-K399 PolarHBondContact O-N 2.9Å; K399-V401 VanDerWaalsContact C-N 3.31Å; K399-V401 PolarHBondContact O-N 2.77Å; K399-I402 PolarHBondContact O-N 3.04Å; K399-E403 HydrophobicContact CG-CG 4.2Å; K399-E403 WeakPolarHBondContact O-CB 3.33Å; K399-E403 WeakPolarHBondContact O-CG 3.42Å; K399-E403 PolarHBondContact O-N 3.09Å; K399-Y415 WeakPolarHBondContact CE-OH 3.48Å; K399-A421 WeakPolarHBondContact CD-O 3.22Å; K399-A421 PolarHBondContact NZ-O 3.05Å; K399-R422 PolarHBondContact NZ-O 2.95Å; K399-L424 HydrophobicContact CD-CB 4.15Å; K399-L424 WeakPolarHBondContact CE-O 3.32Å; K399-L424 PolarHBondContact NZ-O 3.19Å; K399-M426 HydrophobicContact CB-CB 4.31Å; K399-M426 HydrophobicContact CD-CB 4.1Å; K399-M426 HydrophobicContact CD-SD 4.37Å; K399-M426 HydrophobicContact CG-CB 4.09Å; K399-M426 HydrophobicContact CG-CG 4.48Å; K399-M426 HydrophobicContact CG-SD 3.84Å
400	R	98.1	Very high	95.2	Very high	16 Å²	16	32.2 Å²	32.2	6%	0.06	17%	0.173	C	C	.	.	H	α-helix	trans	-58	-44.6	174.1	-67.4	-177.4	66.8	80.5	1.9	111.7	D338 G340 L341 I396 N397 Y398 T404 M426 D428 I429	D338-R400 IonicContact OD1-CZ 2.81Å; D338-R400 IonicContact OD1-NH2 2.77Å; D338-R400 PolarHBondContact OD1-NH2 3.41Å; D338-R400 IonicContact OD2-CZ 3.41Å; D338-R400 VanDerWaalsContact OD2-CZ 3.25Å; D338-R400 IonicContact OD2-NE 3.76Å; D338-R400 PolarHBondContact OD2-NE 2.65Å; D338-R400 IonicContact OD2-NH2 2.91Å; D338-R400 PolarHBondContact OD2-NH2 3.22Å; G340-R400 WeakPolarHBondContact O-CD 3.1Å; L341-R400 HydrophobicContact CD2-CB 4.19Å; I396-R400 PolarHBondContact O-N 3.28Å; I396-R400 VanDerWaalsContact O-N 3.09Å; N397-R400 WeakPolarHBondContact O-CB 3.46Å; N397-R400 PolarHBondContact O-N 3.22Å; N397-R400 VanDerWaalsContact O-N 3.13Å; Y398-R400 VanDerWaalsContact C-N 3.35Å; Y398-R400 PolarHBondContact O-N 2.89Å; R400-T404 VanDerWaalsContact O-CB 3.27Å; R400-T404 WeakPolarHBondContact O-CB 3.42Å; R400-T404 PolarHBondContact O-N 3.01Å; R400-T404 VanDerWaalsContact O-N 3.12Å; R400-T404 PolarHBondContact O-OG1 3.38Å; R400-M426 WeakPolarHBondContact CD-O 3.37Å; R400-M426 HydrophobicContact CG-CB 3.77Å; R400-M426 HydrophobicContact CG-CG 4.43Å; R400-M426 WeakPolarHBondContact CG-O 3.42Å; R400-M426 PolarHBondContact NH1-O 3Å; R400-D428 PolarHBondContact NH1-O 3.14Å; R400-D428 PolarHBondContact NH2-O 3.25Å; R400-I429 HydrophobicContact CB-CG2 4.38Å; R400-I429 HydrophobicContact CG-CG2 4.3Å
401	V	98.8	Very high	96.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-48.5	178.3	178.7	0	0	0	0	111	M292 L341 F349 E350 F353 N397 Y398 K399 T404 W405	M292-V401 HydrophobicContact CE-CB 4.21Å; M292-V401 HydrophobicContact CE-CG1 3.85Å; L341-V401 HydrophobicContact CD2-CG2 4.04Å; F349-V401 HydrophobicContact CB-CG1 4.15Å; E350-V401 HydrophobicContact CB-CG1 4.4Å; E350-V401 HydrophobicContact CB-CG2 3.77Å; E350-V401 HydrophobicContact CG-CG2 4.29Å; F353-V401 HydrophobicContact CD2-CG1 3.74Å; F353-V401 HydrophobicContact CE2-CG1 3.91Å; N397-V401 WeakPolarHBondContact O-CG2 3.22Å; N397-V401 PolarHBondContact O-N 3.29Å; N397-V401 VanDerWaalsContact O-N 3.09Å; Y398-V401 WeakPolarHBondContact O-CB 3.48Å; Y398-V401 PolarHBondContact O-N 3.36Å; Y398-V401 VanDerWaalsContact O-N 3.13Å; K399-V401 VanDerWaalsContact C-N 3.31Å; K399-V401 PolarHBondContact O-N 2.77Å; V401-T404 PolarHBondContact O-N 3.26Å; V401-W405 WeakPolarHBondContact O-CB 3.33Å; V401-W405 VanDerWaalsContact O-CD1 3.32Å; V401-W405 PolarHBondContact O-N 3.41Å
402	I	98.6	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-52.7	-179.5	-68.1	-69.7	0	0	0	110.5	M292 Y398 K399 T404 W405 F406 K411 F414	M292-I402 HydrophobicContact CE-CD1 4.19Å; M292-I402 HydrophobicContact CE-CG1 4.41Å; M292-I402 HydrophobicContact CG-CD1 3.99Å; M292-I402 HydrophobicContact CG-CG1 4.32Å; M292-I402 HydrophobicContact SD-CD1 3.74Å; M292-I402 HydrophobicContact SD-CG1 4.44Å; Y398-I402 WeakPolarHBondContact O-CB 3.47Å; Y398-I402 WeakPolarHBondContact O-CG1 3.43Å; Y398-I402 PolarHBondContact O-N 3.14Å; K399-I402 PolarHBondContact O-N 3.04Å; I402-T404 PolarHBondContact O-N 2.87Å; I402-W405 PolarHBondContact O-N 3.13Å; I402-F406 HydrophobicContact CD1-CD1 3.41Å; I402-F406 VanDerWaalsContact CD1-CD1 3.41Å; I402-F406 HydrophobicContact CD1-CD2 3.89Å; I402-F406 HydrophobicContact CD1-CE1 3.24Å; I402-F406 HydrophobicContact CD1-CE2 3.73Å; I402-F406 HydrophobicContact CD1-CG 3.76Å; I402-F406 HydrophobicContact CD1-CZ 3.42Å; I402-F406 VanDerWaalsContact CD1-CZ 3.42Å; I402-F406 HydrophobicContact CG2-CB 4.33Å; I402-F406 HydrophobicContact CG2-CD1 4.38Å; I402-F406 HydrophobicContact CG2-CG 4.37Å; I402-F406 VanDerWaalsContact O-CB 3.32Å; I402-F406 WeakPolarHBondContact O-CB 3.32Å; I402-F406 PolarHBondContact O-N 3.47Å; I402-K411 HydrophobicContact CG2-CB 3.41Å; I402-K411 VanDerWaalsContact CG2-CB 3.41Å; I402-F414 HydrophobicContact CB-CD1 4.39Å; I402-F414 HydrophobicContact CD1-CB 3.94Å; I402-F414 HydrophobicContact CD1-CD1 4.47Å; I402-F414 HydrophobicContact CD1-CD2 4.29Å; I402-F414 HydrophobicContact CD1-CG 3.98Å; I402-F414 HydrophobicContact CG1-CB 4.28Å; I402-F414 HydrophobicContact CG1-CD1 3.89Å; I402-F414 HydrophobicContact CG1-CD2 4.17Å; I402-F414 HydrophobicContact CG1-CE1 4.24Å; I402-F414 HydrophobicContact CG1-CG 3.85Å; I402-F414 HydrophobicContact CG2-CD1 4.14Å
403	E	98.4	Very high	97.2	Very high	49 Å²	49	29.1 Å²	29.1	23%	0.229	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-20.8	-177.5	-68.4	-66.7	169.5	0	0	113.3	K399 K411 Y415 M426 I429	K399-E403 HydrophobicContact CG-CG 4.2Å; K399-E403 WeakPolarHBondContact O-CB 3.33Å; K399-E403 WeakPolarHBondContact O-CG 3.42Å; K399-E403 PolarHBondContact O-N 3.09Å; E403-K411 IonicContact OE2-NZ 3.2Å; E403-Y415 WeakPolarHBondContact OE1-CE2 3.47Å; E403-Y415 PolarHBondContact OE1-OH 3.25Å; E403-M426 HydrophobicContact CB-CE 3.64Å; E403-M426 HydrophobicContact CB-SD 3.66Å; E403-M426 HydrophobicContact CG-CE 3.72Å; E403-M426 HydrophobicContact CG-SD 3.58Å; E403-M426 VanDerWaalsContact CG-SD 3.58Å; E403-I429 HydrophobicContact CB-CD1 3.76Å
404	T	98.6	Very high	97.6	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-85.3	-47.5	174.7	-57.9	0	0	0	0	111.8	R400 V401 I402 Q432 K436	R400-T404 VanDerWaalsContact O-CB 3.27Å; R400-T404 WeakPolarHBondContact O-CB 3.42Å; R400-T404 PolarHBondContact O-N 3.01Å; R400-T404 VanDerWaalsContact O-N 3.12Å; R400-T404 PolarHBondContact O-OG1 3.38Å; V401-T404 PolarHBondContact O-N 3.26Å; I402-T404 PolarHBondContact O-N 2.87Å; T404-Q432 HydrophobicContact CG2-CB 3.61Å; T404-K436 WeakPolarHBondContact O-CD 3.46Å; T404-K436 PolarHBondContact O-NZ 2.88Å
405	W	98.6	Very high	97.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-104.4	-29	-162.7	-64.8	103.2	0	0	0	114.1	F353 K354 Q357 V401 I402 K436	F353-W405 HydrophobicContact CB-CB 3.94Å; F353-W405 HydrophobicContact CB-CD2 4.31Å; F353-W405 HydrophobicContact CB-CG 4.02Å; F353-W405 HydrophobicContact CD2-CB 4.15Å; F353-W405 HydrophobicContact CG-CB 4.43Å; K354-W405 HydrophobicContact CB-CH2 3.65Å; K354-W405 HydrophobicContact CB-CZ2 3.66Å; K354-W405 HydrophobicContact CB-CZ3 4.12Å; K354-W405 HydrophobicContact CD-CH2 4.34Å; K354-W405 HydrophobicContact CD-CZ2 4.22Å; K354-W405 HydrophobicContact CG-CH2 3.55Å; K354-W405 HydrophobicContact CG-CZ2 3.8Å; K354-W405 HydrophobicContact CG-CZ3 4.32Å; Q357-W405 PolarHBondContact OE1-O 2.83Å; V401-W405 WeakPolarHBondContact O-CB 3.33Å; V401-W405 VanDerWaalsContact O-CD1 3.32Å; V401-W405 PolarHBondContact O-N 3.41Å; I402-W405 PolarHBondContact O-N 3.13Å; W405-K436 HydrophobicContact CE3-CD 4.16Å; W405-K436 HydrophobicContact CH2-CB 4.39Å; W405-K436 HydrophobicContact CZ3-CB 4.36Å; W405-K436 HydrophobicContact CZ3-CD 4.18Å; W405-K436 HydrophobicContact CZ3-CG 4.07Å; W405-K436 PolarHBondContact O-NZ 2.67Å
406	F	98.6	Very high	98	Very high	14 Å²	14	26 Å²	26	6%	0.061	13%	0.128	C	C	.	.	S	Bend	trans	-80.3	160.9	-178.9	-76.4	-148.1	0	0	0	110.9	F288 W290 M292 F353 I402 H410 K411 F444	F288-F406 HydrophobicContact CE2-CZ 4.16Å; W290-F406 HydrophobicContact CE3-CE1 4.5Å; W290-F406 HydrophobicContact CZ3-CE1 4.3Å; M292-F406 HydrophobicContact SD-CZ 4.07Å; F353-F406 AromaticContact CD2-CE2 3.94Å; F353-F406 HydrophobicContact CD2-CE2 3.94Å; F353-F406 HydrophobicContact CE1-CE2 4.43Å; F353-F406 HydrophobicContact CE2-CD2 4.35Å; F353-F406 AromaticContact CE2-CE2 3.39Å; F353-F406 HydrophobicContact CE2-CE2 3.39Å; F353-F406 HydrophobicContact CE2-CZ 4.13Å; F353-F406 AromaticContact CZ-CE2 3.68Å; F353-F406 HydrophobicContact CZ-CE2 3.68Å; F353-F406 HydrophobicContact CZ-CZ 4.09Å; I402-F406 HydrophobicContact CD1-CD1 3.41Å; I402-F406 VanDerWaalsContact CD1-CD1 3.41Å; I402-F406 HydrophobicContact CD1-CD2 3.89Å; I402-F406 HydrophobicContact CD1-CE1 3.24Å; I402-F406 HydrophobicContact CD1-CE2 3.73Å; I402-F406 HydrophobicContact CD1-CG 3.76Å; I402-F406 HydrophobicContact CD1-CZ 3.42Å; I402-F406 VanDerWaalsContact CD1-CZ 3.42Å; I402-F406 HydrophobicContact CG2-CB 4.33Å; I402-F406 HydrophobicContact CG2-CD1 4.38Å; I402-F406 HydrophobicContact CG2-CG 4.37Å; I402-F406 VanDerWaalsContact O-CB 3.32Å; I402-F406 WeakPolarHBondContact O-CB 3.32Å; I402-F406 PolarHBondContact O-N 3.47Å; F406-H410 HydrophobicContact CD1-CB 3.7Å; F406-H410 HydrophobicContact CE1-CB 4.26Å; F406-H410 HydrophobicContact CG-CB 4.39Å; F406-K411 HydrophobicContact CB-CB 4.16Å; F406-F444 HydrophobicContact CB-CD1 4.49Å; F406-F444 HydrophobicContact CB-CG 4.39Å; F406-F444 HydrophobicContact CD1-CD1 4.34Å; F406-F444 AromaticContact CD1-CE1 3.96Å; F406-F444 HydrophobicContact CD1-CE1 3.96Å; F406-F444 HydrophobicContact CD1-CZ 4.17Å; F406-F444 HydrophobicContact CD2-CD1 4.27Å; F406-F444 AromaticContact CD2-CD2 3.64Å; F406-F444 HydrophobicContact CD2-CD2 3.64Å; F406-F444 HydrophobicContact CD2-CE1 4.06Å; F406-F444 AromaticContact CD2-CE2 3.4Å; F406-F444 HydrophobicContact CD2-CE2 3.4Å; F406-F444 VanDerWaalsContact CD2-CE2 3.4Å; F406-F444 HydrophobicContact CD2-CG 4.07Å; F406-F444 AromaticContact CD2-CZ 3.63Å; F406-F444 HydrophobicContact CD2-CZ 3.63Å; F406-F444 AromaticContact CE1-CE1 3.85Å; F406-F444 HydrophobicContact CE1-CE1 3.85Å; F406-F444 AromaticContact CE1-CZ 3.79Å; F406-F444 HydrophobicContact CE1-CZ 3.79Å; F406-F444 AromaticContact CE2-CD2 3.91Å; F406-F444 HydrophobicContact CE2-CD2 3.91Å; F406-F444 AromaticContact CE2-CE1 3.94Å; F406-F444 HydrophobicContact CE2-CE1 3.94Å; F406-F444 AromaticContact CE2-CE2 3.16Å; F406-F444 HydrophobicContact CE2-CE2 3.16Å; F406-F444 AromaticContact CE2-CZ 3.17Å; F406-F444 HydrophobicContact CE2-CZ 3.17Å; F406-F444 HydrophobicContact CG-CD1 4.13Å; F406-F444 HydrophobicContact CG-CD2 4.24Å; F406-F444 HydrophobicContact CG-CE1 4.07Å; F406-F444 HydrophobicContact CG-CE2 4.2Å; F406-F444 HydrophobicContact CG-CG 4.21Å; F406-F444 HydrophobicContact CG-CZ 4.1Å; F406-F444 AromaticContact CZ-CE1 3.85Å; F406-F444 HydrophobicContact CZ-CE1 3.85Å; F406-F444 AromaticContact CZ-CE2 3.81Å; F406-F444 HydrophobicContact CZ-CE2 3.81Å; F406-F444 AromaticContact CZ-CZ 3.27Å; F406-F444 HydrophobicContact CZ-CZ 3.27Å
407	D	98.2	Very high	98.1	Very high	37 Å²	37	26.6 Å²	26.6	20%	0.198	13%	0.13	C	C	.	.			trans	-89.6	173.8	162.9	61.6	47.1	0	0	0	110.8	T409 H410 K411 F444 Q445	D407-T409 VanDerWaalsContact C-N 3.27Å; D407-T409 PolarHBondContact O-N 3.1Å; D407-T409 PolarHBondContact OD1-N 3.43Å; D407-T409 VanDerWaalsContact OD1-N 3.11Å; D407-H410 PolarHBondContact O-N 3.49Å; D407-H410 IonicContact OD1-CE1 3.72Å; D407-H410 IonicContact OD1-CG 3.32Å; D407-H410 PolarHBondContact OD1-N 3.08Å; D407-H410 IonicContact OD1-ND1 3.81Å; D407-H410 PolarHBondContact OD1-ND1 2.7Å; D407-H410 IonicContact OD2-CE1 3.75Å; D407-H410 PolarHBondContact OD2-CE1 3.31Å; D407-H410 IonicContact OD2-ND1 2.55Å; D407-H410 PolarHBondContact OD2-ND1 3.23Å; D407-K411 WeakPolarHBondContact O-CG 3.45Å; D407-K411 PolarHBondContact O-N 3.42Å; D407-K411 VanDerWaalsContact O-N 3.09Å; D407-F444 HydrophobicContact CB-CB 4.41Å; D407-Q445 PolarHBondContact OD2-N 3.06Å
408	D	98	Very high	98	Very high	114 Å²	114	28.9 Å²	28.9	61%	0.61	14%	0.141	S	C	*	.	H	α-helix	trans	-62.9	-31.8	-175.2	-67.4	-29.2	0	0	0	113.3	K411 E412	D408-K411 WeakPolarHBondContact O-CG 3.42Å; D408-K411 WeakPolarHBondContact OD1-CE 3.4Å; D408-K411 IonicContact OD1-NZ 2.88Å; D408-K411 PolarHBondContact OD1-NZ 2.94Å; D408-E412 VanDerWaalsContact O-CG 3.28Å; D408-E412 WeakPolarHBondContact O-CG 3.44Å
409	T	97.8	Very high	97.9	Very high	77 Å²	77	27.8 Å²	27.8	47%	0.472	14%	0.137	S	C	.	.	H	α-helix	trans	-70.7	-48.2	179	-58.8	0	0	0	0	110.7	D407 E412	D407-T409 VanDerWaalsContact C-N 3.27Å; D407-T409 PolarHBondContact O-N 3.1Å; D407-T409 PolarHBondContact OD1-N 3.43Å; D407-T409 VanDerWaalsContact OD1-N 3.11Å; T409-E412 PolarHBondContact O-N 3.4Å
410	H	98.3	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-76.5	-30.4	-173.1	-63.3	86.5	0	0	0	112.9	W290 F406 D407 E412 Y413 F414 F444 Q445 Y456	W290-H410 AromaticContact CH2-CD2 3.79Å; W290-H410 HydrophobicContact CZ3-CB 4.41Å; F406-H410 HydrophobicContact CD1-CB 3.7Å; F406-H410 HydrophobicContact CE1-CB 4.26Å; F406-H410 HydrophobicContact CG-CB 4.39Å; D407-H410 PolarHBondContact O-N 3.49Å; D407-H410 IonicContact OD1-CE1 3.72Å; D407-H410 IonicContact OD1-CG 3.32Å; D407-H410 PolarHBondContact OD1-N 3.08Å; D407-H410 IonicContact OD1-ND1 3.81Å; D407-H410 PolarHBondContact OD1-ND1 2.7Å; D407-H410 IonicContact OD2-CE1 3.75Å; D407-H410 PolarHBondContact OD2-CE1 3.31Å; D407-H410 IonicContact OD2-ND1 2.55Å; D407-H410 PolarHBondContact OD2-ND1 3.23Å; H410-E412 PolarHBondContact O-N 2.85Å; H410-Y413 HydrophobicContact CB-CD2 4.4Å; H410-Y413 AromaticContact CD2-CE2 3.91Å; H410-Y413 WeakPolarHBondContact O-CB 3.18Å; H410-Y413 PolarHBondContact O-N 2.89Å; H410-Y413 VanDerWaalsContact O-N 3.14Å; H410-F414 PolarHBondContact O-N 2.84Å; H410-F444 HydrophobicContact CB-CD1 3.61Å; H410-F444 HydrophobicContact CB-CE1 3.7Å; H410-F444 AromaticContact CD2-CD1 3.89Å; H410-F444 AromaticContact CD2-CE1 3.79Å; H410-F444 AromaticContact CG-CD1 3.47Å; H410-F444 VanDerWaalsContact CG-CD1 3.47Å; H410-F444 AromaticContact CG-CE1 3.71Å; H410-F444 AromaticContact ND1-CD1 3.69Å; H410-Q445 PolarHBondContact CE1-OE1 3.33Å; H410-Q445 VanDerWaalsContact CE1-OE1 3.24Å; H410-Y456 PolarHBondContact CD2-OH 3.45Å; H410-Y456 VanDerWaalsContact CD2-OH 3.28Å; H410-Y456 PolarHBondContact NE2-OH 2.89Å
411	K	98	Very high	97.6	Very high	41 Å²	41	27.3 Å²	27.3	18%	0.178	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-28.7	175.3	73.5	-170.4	-168.7	-171.9	0	112	I402 E403 F406 D407 D408 Y413 F414 Y415	I402-K411 HydrophobicContact CG2-CB 3.41Å; I402-K411 VanDerWaalsContact CG2-CB 3.41Å; E403-K411 IonicContact OE2-NZ 3.2Å; F406-K411 HydrophobicContact CB-CB 4.16Å; D407-K411 WeakPolarHBondContact O-CG 3.45Å; D407-K411 PolarHBondContact O-N 3.42Å; D407-K411 VanDerWaalsContact O-N 3.09Å; D408-K411 WeakPolarHBondContact O-CG 3.42Å; D408-K411 WeakPolarHBondContact OD1-CE 3.4Å; D408-K411 IonicContact OD1-NZ 2.88Å; D408-K411 PolarHBondContact OD1-NZ 2.94Å; K411-Y413 VanDerWaalsContact C-N 3.28Å; K411-Y413 PolarHBondContact O-N 3.35Å; K411-F414 WeakPolarHBondContact O-CB 3.19Å; K411-F414 PolarHBondContact O-N 3.2Å; K411-F414 VanDerWaalsContact O-N 3.15Å; K411-Y415 HydrophobicContact CB-CD2 4.49Å; K411-Y415 HydrophobicContact CB-CE2 4.29Å; K411-Y415 HydrophobicContact CG-CD2 4.48Å; K411-Y415 HydrophobicContact CG-CE2 4.31Å; K411-Y415 WeakPolarHBondContact O-CD2 3.08Å; K411-Y415 PolarHBondContact O-N 2.93Å
412	E	97.9	Very high	97.4	Very high	76 Å²	76	32.2 Å²	32.2	36%	0.355	16%	0.155	S	C	.	.	H	α-helix	trans	-66.5	-28.7	174.8	-69.9	-64.1	115	0	0	112.6	D408 T409 H410 Y415 T416 R422	D408-E412 VanDerWaalsContact O-CG 3.28Å; D408-E412 WeakPolarHBondContact O-CG 3.44Å; T409-E412 PolarHBondContact O-N 3.4Å; H410-E412 PolarHBondContact O-N 2.85Å; E412-Y415 PolarHBondContact O-N 3.3Å; E412-T416 VanDerWaalsContact O-CB 3.24Å; E412-T416 WeakPolarHBondContact O-CB 3.36Å; E412-T416 PolarHBondContact O-N 3.36Å; E412-T416 PolarHBondContact O-OG1 2.99Å; E412-R422 IonicContact OE1-CZ 2.79Å; E412-R422 IonicContact OE1-NH1 2.72Å; E412-R422 PolarHBondContact OE1-NH1 3.34Å; E412-R422 IonicContact OE1-NH2 3.79Å; E412-R422 PolarHBondContact OE1-NH2 2.9Å; E412-R422 VanDerWaalsContact OE1-NH2 3.08Å; E412-R422 IonicContact OE2-CZ 2.99Å; E412-R422 IonicContact OE2-NH1 3.96Å; E412-R422 IonicContact OE2-NH2 3.68Å; E412-R422 PolarHBondContact OE2-NH2 3.09Å
413	Y	98.2	Very high	97.1	Very high	49 Å²	49	36.9 Å²	36.9	19%	0.192	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-42.9	170.3	-54.5	-33.4	0	0	0	111.3	W290 H410 K411 T416 R417 L462	W290-Y413 AromaticContact CD2-CD2 3.93Å; W290-Y413 HydrophobicContact CD2-CD2 3.93Å; W290-Y413 HydrophobicContact CD2-CG 4.17Å; W290-Y413 AromaticContact CE2-CD2 3.9Å; W290-Y413 AromaticContact CE3-CD2 3.87Å; W290-Y413 HydrophobicContact CE3-CD2 3.87Å; W290-Y413 HydrophobicContact CE3-CG 4.32Å; W290-Y413 AromaticContact CH2-CD2 3.83Å; W290-Y413 HydrophobicContact CH2-CD2 3.83Å; W290-Y413 HydrophobicContact CH2-CE2 4.33Å; W290-Y413 AromaticContact CZ2-CD2 3.88Å; W290-Y413 HydrophobicContact CZ2-CD2 3.88Å; W290-Y413 HydrophobicContact CZ2-CE2 4.34Å; W290-Y413 AromaticContact CZ3-CD2 3.82Å; W290-Y413 HydrophobicContact CZ3-CD2 3.82Å; H410-Y413 HydrophobicContact CB-CD2 4.4Å; H410-Y413 AromaticContact CD2-CE2 3.91Å; H410-Y413 WeakPolarHBondContact O-CB 3.18Å; H410-Y413 PolarHBondContact O-N 2.89Å; H410-Y413 VanDerWaalsContact O-N 3.14Å; K411-Y413 VanDerWaalsContact C-N 3.28Å; K411-Y413 PolarHBondContact O-N 3.35Å; Y413-T416 PolarHBondContact O-N 3Å; Y413-R417 WeakPolarHBondContact O-CB 3.38Å; Y413-R417 PolarHBondContact O-N 3.44Å; Y413-L462 HydrophobicContact CD1-CB 4.24Å; Y413-L462 VanDerWaalsContact CD1-N 3.26Å; Y413-L462 WeakPolarHBondContact CD1-O 3.38Å
414	F	98.1	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-47.2	174.3	170.7	-101.4	0	0	0	111.8	W290 M292 T395 Y398 I402 H410 K411 T416 R417 E418 A421	W290-F414 WeakPolarHBondContact O-CA 3.39Å; W290-F414 WeakPolarHBondContact O-CD2 3.43Å; M292-F414 HydrophobicContact CB-CE2 4.44Å; M292-F414 HydrophobicContact CG-CD2 3.76Å; M292-F414 HydrophobicContact CG-CE2 3.92Å; T395-F414 HydrophobicContact CG2-CZ 4.28Å; Y398-F414 HydrophobicContact CD2-CE2 4.45Å; I402-F414 HydrophobicContact CB-CD1 4.39Å; I402-F414 HydrophobicContact CD1-CB 3.94Å; I402-F414 HydrophobicContact CD1-CD1 4.47Å; I402-F414 HydrophobicContact CD1-CD2 4.29Å; I402-F414 HydrophobicContact CD1-CG 3.98Å; I402-F414 HydrophobicContact CG1-CB 4.28Å; I402-F414 HydrophobicContact CG1-CD1 3.89Å; I402-F414 HydrophobicContact CG1-CD2 4.17Å; I402-F414 HydrophobicContact CG1-CE1 4.24Å; I402-F414 HydrophobicContact CG1-CG 3.85Å; I402-F414 HydrophobicContact CG2-CD1 4.14Å; H410-F414 PolarHBondContact O-N 2.84Å; K411-F414 WeakPolarHBondContact O-CB 3.19Å; K411-F414 PolarHBondContact O-N 3.2Å; K411-F414 VanDerWaalsContact O-N 3.15Å; F414-T416 VanDerWaalsContact C-N 3.31Å; F414-T416 PolarHBondContact O-N 3.22Å; F414-R417 CarbonylContact O-C 3.52Å; F414-R417 WeakPolarHBondContact O-CA 3.5Å; F414-R417 WeakPolarHBondContact O-CB 3.45Å; F414-R417 PolarHBondContact O-N 2.87Å; F414-R417 VanDerWaalsContact O-N 3.08Å; F414-E418 HydrophobicContact CE2-CB 4.24Å; F414-E418 HydrophobicContact CE2-CG 4.1Å; F414-E418 HydrophobicContact CZ-CB 4.26Å; F414-E418 PolarHBondContact O-N 2.66Å; F414-A421 HydrophobicContact CE1-CB 3.67Å; F414-A421 HydrophobicContact CZ-CB 3.9Å
415	Y	97.7	Very high	96.6	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-72.7	-22	178.7	-67.3	-54.7	0	0	0	114.5	K399 E403 K411 E412 R417 E418 P419 A421 R422	K399-Y415 WeakPolarHBondContact CE-OH 3.48Å; E403-Y415 WeakPolarHBondContact OE1-CE2 3.47Å; E403-Y415 PolarHBondContact OE1-OH 3.25Å; K411-Y415 HydrophobicContact CB-CD2 4.49Å; K411-Y415 HydrophobicContact CB-CE2 4.29Å; K411-Y415 HydrophobicContact CG-CD2 4.48Å; K411-Y415 HydrophobicContact CG-CE2 4.31Å; K411-Y415 WeakPolarHBondContact O-CD2 3.08Å; K411-Y415 PolarHBondContact O-N 2.93Å; E412-Y415 PolarHBondContact O-N 3.3Å; Y415-R417 VanDerWaalsContact C-N 3.34Å; Y415-E418 CarbonylContact O-C 3.34Å; Y415-P419 WeakPolarHBondContact O-CA 3.25Å; Y415-A421 HydrophobicContact CD1-CB 4.17Å; Y415-A421 HydrophobicContact CE1-CB 4.09Å; Y415-R422 HydrophobicContact CD1-CB 4.38Å; Y415-R422 HydrophobicContact CD1-CG 3.4Å; Y415-R422 HydrophobicContact CD2-CG 4.43Å; Y415-R422 VanDerWaalsContact CD2-NH1 3.32Å; Y415-R422 HydrophobicContact CE1-CG 3.93Å; Y415-R422 HydrophobicContact CG-CG 3.69Å
416	T	97.2	Very high	96.3	Very high	12 Å²	12	41.8 Å²	41.8	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-70.5	-36.3	168	-65.1	0	0	0	0	110.7	E412 Y413 F414 L462 P463 N465 R506	E412-T416 VanDerWaalsContact O-CB 3.24Å; E412-T416 WeakPolarHBondContact O-CB 3.36Å; E412-T416 PolarHBondContact O-N 3.36Å; E412-T416 PolarHBondContact O-OG1 2.99Å; Y413-T416 PolarHBondContact O-N 3Å; F414-T416 VanDerWaalsContact C-N 3.31Å; F414-T416 PolarHBondContact O-N 3.22Å; T416-L462 HydrophobicContact CG2-CB 3.83Å; T416-L462 HydrophobicContact CG2-CD1 4.35Å; T416-P463 WeakPolarHBondContact CG2-O 3.46Å; T416-N465 PolarHBondContact O-ND2 2.8Å; T416-R506 WeakPolarHBondContact O-CD 3.5Å; T416-R506 PolarHBondContact O-NH1 3.39Å
417	R	96.9	Very high	96.1	Very high	16 Å²	16	42.4 Å²	42.4	6%	0.06	21%	0.211	C	C	.	.	H	α-helix	trans	-76.2	-37.3	177.9	-177.2	54.1	-173.1	71.2	19.6	113.2	E289 W290 G291 Y413 F414 Y415 L462 R506 G516 E517	E289-R417 IonicContact OE2-NE 2.65Å; W290-R417 HydrophobicContact CB-CB 4.32Å; G291-R417 VanDerWaalsContact CA-CG 3.44Å; Y413-R417 WeakPolarHBondContact O-CB 3.38Å; Y413-R417 PolarHBondContact O-N 3.44Å; F414-R417 CarbonylContact O-C 3.52Å; F414-R417 WeakPolarHBondContact O-CA 3.5Å; F414-R417 WeakPolarHBondContact O-CB 3.45Å; F414-R417 PolarHBondContact O-N 2.87Å; F414-R417 VanDerWaalsContact O-N 3.08Å; Y415-R417 VanDerWaalsContact C-N 3.34Å; R417-L462 HydrophobicContact CB-CD1 3.77Å; R417-R506 PolarHBondContact O-NE 2.95Å; R417-G516 PolarHBondContact NE-O 2.79Å; R417-G516 VanDerWaalsContact NH1-C 3.27Å; R417-G516 VanDerWaalsContact NH1-CA 3.35Å; R417-G516 PolarHBondContact NH1-O 3.01Å; R417-E517 VanDerWaalsContact CZ-N 3.34Å
418	E	95.9	Very high	96	Very high	47 Å²	47	46.1 Å²	46.1	22%	0.22	23%	0.231	C	C	.	.			trans	-129.3	70.1	-177.1	-64.4	-60.6	157.6	0	0	110.9	F414 Y415 L420 A421	F414-E418 HydrophobicContact CE2-CB 4.24Å; F414-E418 HydrophobicContact CE2-CG 4.1Å; F414-E418 HydrophobicContact CZ-CB 4.26Å; F414-E418 PolarHBondContact O-N 2.66Å; Y415-E418 CarbonylContact O-C 3.34Å; E418-L420 VanDerWaalsContact C-N 3.27Å; E418-L420 PolarHBondContact O-N 3.05Å; E418-A421 HydrophobicContact CB-CB 4.13Å; E418-A421 WeakPolarHBondContact O-CB 3.33Å; E418-A421 PolarHBondContact O-N 3.46Å
419	P	96.1	Very high	96.1	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.026	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-62.4	-31.6	-172.3	23.7	-34.3	0	0	0	113.9	Y415 A421 R422 W468 L504 R506	Y415-P419 WeakPolarHBondContact O-CA 3.25Å; P419-A421 PolarHBondContact O-N 3.1Å; P419-R422 PolarHBondContact O-N 2.76Å; P419-W468 HydrophobicContact CB-CD2 3.59Å; P419-W468 HydrophobicContact CB-CE3 3.68Å; P419-W468 HydrophobicContact CB-CG 4.18Å; P419-W468 HydrophobicContact CB-CH2 4.08Å; P419-W468 HydrophobicContact CB-CZ2 3.97Å; P419-W468 HydrophobicContact CB-CZ3 3.93Å; P419-W468 HydrophobicContact CG-CD2 3.77Å; P419-W468 HydrophobicContact CG-CE3 3.54Å; P419-W468 HydrophobicContact CG-CG 4.21Å; P419-W468 HydrophobicContact CG-CZ3 4.05Å; P419-L504 HydrophobicContact CG-CD1 4.29Å; P419-L504 HydrophobicContact CG-CD2 4.19Å; P419-R506 HydrophobicContact CG-CG 4.44Å
420	L	94.1	Very high	96.1	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.126	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-64	-24.3	175.6	-69.6	-179.8	0	0	0	112.8	E418 R422 Y423 W468 L504 I587 P589	E418-L420 VanDerWaalsContact C-N 3.27Å; E418-L420 PolarHBondContact O-N 3.05Å; L420-R422 PolarHBondContact O-N 3.43Å; L420-Y423 PolarHBondContact O-N 3.21Å; L420-Y423 VanDerWaalsContact O-N 3.15Å; L420-W468 HydrophobicContact CD2-CH2 4.3Å; L420-W468 HydrophobicContact CD2-CZ3 3.92Å; L420-W468 HydrophobicContact CG-CZ3 4.41Å; L420-L504 HydrophobicContact CD1-CD1 4.41Å; L420-L504 HydrophobicContact CD1-CD2 4.02Å; L420-L504 HydrophobicContact CG-CD1 4.34Å; L420-L504 HydrophobicContact CG-CD2 4.13Å; L420-I587 HydrophobicContact CD2-CB 4.04Å; L420-I587 HydrophobicContact CD2-CG2 3.96Å; L420-P589 HydrophobicContact CD2-CG 4.31Å
421	A	95	Very high	96.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-62.9	-24.6	-179.7	0	0	0	0	0	112.6	T395 K399 F414 Y415 E418 P419 Y423 L424	T395-A421 HydrophobicContact CG2-CB 3.71Å; K399-A421 WeakPolarHBondContact CD-O 3.22Å; K399-A421 PolarHBondContact NZ-O 3.05Å; F414-A421 HydrophobicContact CE1-CB 3.67Å; F414-A421 HydrophobicContact CZ-CB 3.9Å; Y415-A421 HydrophobicContact CD1-CB 4.17Å; Y415-A421 HydrophobicContact CE1-CB 4.09Å; E418-A421 HydrophobicContact CB-CB 4.13Å; E418-A421 WeakPolarHBondContact O-CB 3.33Å; E418-A421 PolarHBondContact O-N 3.46Å; P419-A421 PolarHBondContact O-N 3.1Å; A421-Y423 PolarHBondContact O-N 3.02Å; A421-L424 HydrophobicContact CB-CD1 4.31Å; A421-L424 PolarHBondContact O-N 2.99Å; A421-L424 VanDerWaalsContact O-N 3.14Å
422	R	94.4	Very high	96.1	Very high	105 Å²	105	46.1 Å²	46.1	40%	0.396	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-57.3	-34	176	-69.1	-167.8	-174.9	-82.4	4.7	112.9	K399 E412 Y415 P419 L420	K399-R422 PolarHBondContact NZ-O 2.95Å; E412-R422 IonicContact OE1-CZ 2.79Å; E412-R422 IonicContact OE1-NH1 2.72Å; E412-R422 PolarHBondContact OE1-NH1 3.34Å; E412-R422 IonicContact OE1-NH2 3.79Å; E412-R422 PolarHBondContact OE1-NH2 2.9Å; E412-R422 VanDerWaalsContact OE1-NH2 3.08Å; E412-R422 IonicContact OE2-CZ 2.99Å; E412-R422 IonicContact OE2-NH1 3.96Å; E412-R422 IonicContact OE2-NH2 3.68Å; E412-R422 PolarHBondContact OE2-NH2 3.09Å; Y415-R422 HydrophobicContact CD1-CB 4.38Å; Y415-R422 HydrophobicContact CD1-CG 3.4Å; Y415-R422 HydrophobicContact CD2-CG 4.43Å; Y415-R422 VanDerWaalsContact CD2-NH1 3.32Å; Y415-R422 HydrophobicContact CE1-CG 3.93Å; Y415-R422 HydrophobicContact CG-CG 3.69Å; P419-R422 PolarHBondContact O-N 2.76Å; L420-R422 PolarHBondContact O-N 3.43Å
423	Y	93.3	Very high	96.1	Very high	98 Å²	98	46.2 Å²	46.2	38%	0.384	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-82.4	-13.5	-177	-60.8	-80	0	0	0	113.6	L420 A421 W468 E586 P589	L420-Y423 PolarHBondContact O-N 3.21Å; L420-Y423 VanDerWaalsContact O-N 3.15Å; A421-Y423 PolarHBondContact O-N 3.02Å; Y423-W468 AromaticContact CE2-CH2 3.9Å; Y423-W468 HydrophobicContact CE2-CH2 3.9Å; Y423-W468 HydrophobicContact CE2-CZ2 4.34Å; Y423-E586 PolarHBondContact OH-OE1 2.98Å; Y423-P589 HydrophobicContact CD2-CG 4.1Å; Y423-P589 HydrophobicContact CG-CG 3.93Å
424	L	92.8	Very high	96.1	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	24%	0.243	C	C	.	.			trans	-71.4	137.1	-175.1	-70.2	170.1	0	0	0	111.8	P392 T395 I396 K399 A421 M426 W591	P392-L424 HydrophobicContact CG-CD1 4.4Å; T395-L424 HydrophobicContact CG2-CD1 3.63Å; I396-L424 HydrophobicContact CD1-CD2 4.41Å; I396-L424 HydrophobicContact CG1-CB 4.3Å; I396-L424 HydrophobicContact CG1-CD1 4.06Å; I396-L424 HydrophobicContact CG1-CD2 4.03Å; I396-L424 HydrophobicContact CG1-CG 4.37Å; K399-L424 HydrophobicContact CD-CB 4.15Å; K399-L424 WeakPolarHBondContact CE-O 3.32Å; K399-L424 PolarHBondContact NZ-O 3.19Å; A421-L424 HydrophobicContact CB-CD1 4.31Å; A421-L424 PolarHBondContact O-N 2.99Å; A421-L424 VanDerWaalsContact O-N 3.14Å; L424-M426 PolarHBondContact O-N 3Å; L424-W591 HydrophobicContact CB-CH2 4.5Å; L424-W591 HydrophobicContact CB-CZ3 4.34Å; L424-W591 HydrophobicContact CD2-CD2 4.24Å; L424-W591 HydrophobicContact CD2-CE3 3.85Å; L424-W591 HydrophobicContact CD2-CH2 3.21Å; L424-W591 HydrophobicContact CD2-CZ2 3.63Å; L424-W591 HydrophobicContact CD2-CZ3 3.33Å; L424-W591 HydrophobicContact CG-CH2 3.51Å; L424-W591 HydrophobicContact CG-CZ2 4.27Å; L424-W591 HydrophobicContact CG-CZ3 3.77Å
425	D	92.8	Very high	96.1	Very high	116 Å²	116	46.8 Å²	46.8	62%	0.62	25%	0.245	S	C	*	.			trans	-82.2	112.6	167.4	178.7	13.5	0	0	0	109.9	G427	D425-G427 PolarHBondContact OD1-N 2.85Å
426	M	93.9	Very high	96.1	Very high	35 Å²	35	48.4 Å²	48.4	17%	0.172	25%	0.252	C	S	.	.			trans	-86.3	-7.2	178.4	70.7	-179.9	176.4	0	0	113.6	K399 R400 E403 L424 I429	K399-M426 HydrophobicContact CB-CB 4.31Å; K399-M426 HydrophobicContact CD-CB 4.1Å; K399-M426 HydrophobicContact CD-SD 4.37Å; K399-M426 HydrophobicContact CG-CB 4.09Å; K399-M426 HydrophobicContact CG-CG 4.48Å; K399-M426 HydrophobicContact CG-SD 3.84Å; R400-M426 WeakPolarHBondContact CD-O 3.37Å; R400-M426 HydrophobicContact CG-CB 3.77Å; R400-M426 HydrophobicContact CG-CG 4.43Å; R400-M426 WeakPolarHBondContact CG-O 3.42Å; R400-M426 PolarHBondContact NH1-O 3Å; E403-M426 HydrophobicContact CB-CE 3.64Å; E403-M426 HydrophobicContact CB-SD 3.66Å; E403-M426 HydrophobicContact CG-CE 3.72Å; E403-M426 HydrophobicContact CG-SD 3.58Å; E403-M426 VanDerWaalsContact CG-SD 3.58Å; L424-M426 PolarHBondContact O-N 3Å; M426-I429 HydrophobicContact CE-CD1 3.58Å; M426-I429 HydrophobicContact CE-CG1 3.93Å; M426-I429 HydrophobicContact CE-CG2 4.3Å; M426-I429 HydrophobicContact SD-CD1 4.44Å; M426-I429 HydrophobicContact SD-CG2 4.29Å
427	G	94.1	Very high	96.1	Very high	27 Å²	27	56.4 Å²	56.4	28%	0.278	29%	0.286	S	S	.	.			trans	72.5	-170.2	-169.6	0	0	0	0	0	113.2	D425	D425-G427 PolarHBondContact OD1-N 2.85Å
428	D	96.5	Very high	96.2	Very high	115 Å²	115	64.4 Å²	64.4	62%	0.615	32%	0.316	S	S	*	.			trans	-75.4	135.9	-178.4	-171.1	15.6	0	0	0	112.2	R400 S430	R400-D428 PolarHBondContact NH1-O 3.14Å; R400-D428 PolarHBondContact NH2-O 3.25Å; D428-S430 VanDerWaalsContact CG-OG 3.26Å; D428-S430 WeakPolarHBondContact OD1-CB 3.43Å; D428-S430 PolarHBondContact OD1-N 3.15Å; D428-S430 PolarHBondContact OD1-OG 3.2Å; D428-S430 VanDerWaalsContact OD1-OG 3.13Å; D428-S430 PolarHBondContact OD2-OG 3.31Å
429	I	98.3	Very high	96.2	Very high	15 Å²	15	65 Å²	65	8%	0.077	32%	0.321	C	S	.	.			trans	-123.4	10.4	175.2	62.6	164.6	0	0	0	112	R400 E403 M426 E431 Q432 L433	R400-I429 HydrophobicContact CB-CG2 4.38Å; R400-I429 HydrophobicContact CG-CG2 4.3Å; E403-I429 HydrophobicContact CB-CD1 3.76Å; M426-I429 HydrophobicContact CE-CD1 3.58Å; M426-I429 HydrophobicContact CE-CG1 3.93Å; M426-I429 HydrophobicContact CE-CG2 4.3Å; M426-I429 HydrophobicContact SD-CD1 4.44Å; M426-I429 HydrophobicContact SD-CG2 4.29Å; I429-E431 VanDerWaalsContact C-N 3.29Å; I429-E431 PolarHBondContact O-N 3.18Å; I429-Q432 PolarHBondContact O-N 3.16Å; I429-L433 HydrophobicContact CD1-CD1 3.97Å; I429-L433 HydrophobicContact CD1-CD2 4.34Å; I429-L433 HydrophobicContact CD1-CG 4.11Å; I429-L433 HydrophobicContact CG1-CD1 4.03Å; I429-L433 HydrophobicContact CG1-CG 4.26Å; I429-L433 PolarHBondContact O-N 2.51Å
430	S	98.6	Very high	96.3	Very high	59 Å²	59	71.9 Å²	71.9	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-53	-43.7	-176.2	63.2	0	0	0	0	112.9	D428 Q432 L433 A434	D428-S430 VanDerWaalsContact CG-OG 3.26Å; D428-S430 WeakPolarHBondContact OD1-CB 3.43Å; D428-S430 PolarHBondContact OD1-N 3.15Å; D428-S430 PolarHBondContact OD1-OG 3.2Å; D428-S430 VanDerWaalsContact OD1-OG 3.13Å; D428-S430 PolarHBondContact OD2-OG 3.31Å; S430-Q432 VanDerWaalsContact C-N 3.34Å; S430-Q432 PolarHBondContact O-N 2.64Å; S430-L433 PolarHBondContact O-N 3.09Å; S430-A434 WeakPolarHBondContact O-CB 3.23Å; S430-A434 PolarHBondContact O-N 3.21Å
431	E	97.8	Very high	96.5	Very high	145 Å²	145	71.7 Å²	71.7	68%	0.678	36%	0.358	S	S	*	.	H	α-helix	trans	-64	-36.6	176.9	-65.6	-170.8	160.6	0	0	112.7	I429 A434 L435	I429-E431 VanDerWaalsContact C-N 3.29Å; I429-E431 PolarHBondContact O-N 3.18Å; E431-A434 PolarHBondContact O-N 2.97Å; E431-L435 WeakPolarHBondContact O-CB 3.21Å; E431-L435 PolarHBondContact O-N 3.01Å
432	Q	98.3	Very high	96.6	Very high	12 Å²	12	76.2 Å²	76.2	6%	0.056	38%	0.377	C	S	.	.	H	α-helix	trans	-71.3	-39.8	178.7	-56.8	-52.7	-19.5	0	0	112	D338 T404 I429 S430 A434 L435 K436	D338-Q432 HydrophobicContact CB-CG 4.15Å; D338-Q432 VanDerWaalsContact CG-NE2 3.27Å; D338-Q432 PolarHBondContact OD1-NE2 2.84Å; T404-Q432 HydrophobicContact CG2-CB 3.61Å; I429-Q432 PolarHBondContact O-N 3.16Å; S430-Q432 VanDerWaalsContact C-N 3.34Å; S430-Q432 PolarHBondContact O-N 2.64Å; Q432-A434 VanDerWaalsContact C-N 3.34Å; Q432-L435 PolarHBondContact O-N 2.94Å; Q432-K436 WeakPolarHBondContact O-CB 3.25Å; Q432-K436 PolarHBondContact O-N 3.48Å
433	L	98.5	Very high	96.8	Very high	79 Å²	79	74.2 Å²	74.2	41%	0.414	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-39.9	172.8	-64.5	175.7	0	0	0	111.3	I429 S430 K436 K437	I429-L433 HydrophobicContact CD1-CD1 3.97Å; I429-L433 HydrophobicContact CD1-CD2 4.34Å; I429-L433 HydrophobicContact CD1-CG 4.11Å; I429-L433 HydrophobicContact CG1-CD1 4.03Å; I429-L433 HydrophobicContact CG1-CG 4.26Å; I429-L433 PolarHBondContact O-N 2.51Å; S430-L433 PolarHBondContact O-N 3.09Å; L433-K436 PolarHBondContact O-N 3.03Å; L433-K437 WeakPolarHBondContact O-CB 3.26Å; L433-K437 PolarHBondContact O-N 3.37Å
434	A	98.5	Very high	97.1	Very high	52 Å²	52	69.6 Å²	69.6	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-40.9	175.3	0	0	0	0	0	112	S430 E431 Q432 K437 R438	S430-A434 WeakPolarHBondContact O-CB 3.23Å; S430-A434 PolarHBondContact O-N 3.21Å; E431-A434 PolarHBondContact O-N 2.97Å; Q432-A434 VanDerWaalsContact C-N 3.34Å; A434-K437 PolarHBondContact O-N 3.31Å; A434-R438 WeakPolarHBondContact O-CB 3.33Å; A434-R438 PolarHBondContact O-N 2.7Å
435	L	97.4	Very high	97.4	Very high	8 Å²	8	72.7 Å²	72.7	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-51.6	173.2	175.9	69.6	0	0	0	111.3	L334 E431 Q432 K437 R438 L439	L334-L435 WeakPolarHBondContact O-CD2 3.49Å; E431-L435 WeakPolarHBondContact O-CB 3.21Å; E431-L435 PolarHBondContact O-N 3.01Å; Q432-L435 PolarHBondContact O-N 2.94Å; L435-K437 PolarHBondContact O-N 2.99Å; L435-R438 PolarHBondContact O-N 3.46Å; L435-R438 VanDerWaalsContact O-N 3.11Å; L435-L439 HydrophobicContact CD1-CD1 3.7Å; L435-L439 HydrophobicContact CD1-CG 4.01Å; L435-L439 HydrophobicContact CG-CD1 4.04Å; L435-L439 PolarHBondContact O-N 2.91Å
436	K	97.9	Very high	97.7	Very high	41 Å²	41	70.5 Å²	70.5	18%	0.178	36%	0.358	C	S	.	.	H	α-helix	trans	-55.1	-41.1	178	-178	175.7	177.1	179.1	0	111.7	T404 W405 Q432 L433 N440 C441	T404-K436 WeakPolarHBondContact O-CD 3.46Å; T404-K436 PolarHBondContact O-NZ 2.88Å; W405-K436 HydrophobicContact CE3-CD 4.16Å; W405-K436 HydrophobicContact CH2-CB 4.39Å; W405-K436 HydrophobicContact CZ3-CB 4.36Å; W405-K436 HydrophobicContact CZ3-CD 4.18Å; W405-K436 HydrophobicContact CZ3-CG 4.07Å; W405-K436 PolarHBondContact O-NZ 2.67Å; Q432-K436 WeakPolarHBondContact O-CB 3.25Å; Q432-K436 PolarHBondContact O-N 3.48Å; L433-K436 PolarHBondContact O-N 3.03Å; K436-N440 PolarHBondContact O-N 3.11Å; K436-C441 HydrophobicContact CG-CB 4.05Å; K436-C441 PolarHBondContact O-N 3.37Å; K436-C441 PolarHBondContact O-SG 3.14Å; K436-C441 VanDerWaalsContact O-SG 3.38Å
437	K	97.9	Very high	97.9	Very high	180 Å²	180	68.8 Å²	68.8	78%	0.783	35%	0.35	S	S	*	.	H	α-helix	trans	-68.4	-46.4	175.3	-174.3	177.4	-179.7	179	0	112.4	L433 A434 L435 L439 N440	L433-K437 WeakPolarHBondContact O-CB 3.26Å; L433-K437 PolarHBondContact O-N 3.37Å; A434-K437 PolarHBondContact O-N 3.31Å; L435-K437 PolarHBondContact O-N 2.99Å; K437-L439 VanDerWaalsContact C-N 3.31Å; K437-L439 PolarHBondContact O-N 2.99Å; K437-N440 PolarHBondContact O-N 3.29Å; K437-N440 VanDerWaalsContact O-N 3.1Å
438	R	97.5	Very high	98.1	Very high	184 Å²	184	67.5 Å²	67.5	69%	0.694	34%	0.337	S	S	*	.	H	α-helix	trans	-61.4	-38.9	-178.7	-179.1	174.4	66	-139.8	3.6	112.2	A434 L435 N440	A434-R438 WeakPolarHBondContact O-CB 3.33Å; A434-R438 PolarHBondContact O-N 2.7Å; L435-R438 PolarHBondContact O-N 3.46Å; L435-R438 VanDerWaalsContact O-N 3.11Å; R438-N440 PolarHBondContact O-N 3.2Å
439	L	96.8	Very high	98.2	Very high	60 Å²	60	65.9 Å²	65.9	31%	0.314	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.4	178.5	-65.1	-178.8	0	0	0	113.5	L334 C358 L435 K437 C441	L334-L439 HydrophobicContact CD2-CD1 3.94Å; C358-L439 HydrophobicContact CB-CB 4.37Å; C358-L439 HydrophobicContact CB-CD1 4.35Å; L435-L439 HydrophobicContact CD1-CD1 3.7Å; L435-L439 HydrophobicContact CD1-CG 4.01Å; L435-L439 HydrophobicContact CG-CD1 4.04Å; L435-L439 PolarHBondContact O-N 2.91Å; K437-L439 VanDerWaalsContact C-N 3.31Å; K437-L439 PolarHBondContact O-N 2.99Å; L439-C441 VanDerWaalsContact C-N 3.26Å; L439-C441 VanDerWaalsContact CB-SG 3.51Å; L439-C441 PolarHBondContact O-N 2.97Å
440	N	97.1	Very high	98.1	Very high	147 Å²	147	69.1 Å²	69.1	79%	0.786	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	45	-179.5	-167.7	36.9	0	0	0	112.8	K436 K437 R438	K436-N440 PolarHBondContact O-N 3.11Å; K437-N440 PolarHBondContact O-N 3.29Å; K437-N440 VanDerWaalsContact O-N 3.1Å; R438-N440 PolarHBondContact O-N 3.2Å
441	C	98.5	Very high	98.1	Very high	21 Å²	21	66.7 Å²	66.7	14%	0.142	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-69.5	145.2	-174.6	-49	0	0	0	0	111.4	Q357 C358 K436 L439	Q357-C441 HydrophobicContact CB-CB 4.04Å; Q357-C441 CarbonylContact O-C 3.51Å; Q357-C441 VanDerWaalsContact O-CA 3.27Å; Q357-C441 WeakPolarHBondContact O-CA 3.43Å; C358-C441 HydrophobicContact CB-CB 4.08Å; C358-C441 WeakPolarHBondContact CB-SG 3.41Å; C358-C441 WeakPolarHBondContact SG-CB 3.42Å; C358-C441 CovalentContact SG-SG 2.04Å; C358-C441 PolarHBondContact SG-SG 3.16Å; K436-C441 HydrophobicContact CG-CB 4.05Å; K436-C441 PolarHBondContact O-N 3.37Å; K436-C441 PolarHBondContact O-SG 3.14Å; K436-C441 VanDerWaalsContact O-SG 3.38Å; L439-C441 VanDerWaalsContact C-N 3.26Å; L439-C441 VanDerWaalsContact CB-SG 3.51Å; L439-C441 PolarHBondContact O-N 2.97Å
442	K	98.6	Very high	98.1	Very high	96 Å²	96	59.8 Å²	59.8	42%	0.417	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-66	163.3	176.1	-56.7	-176.2	-168.3	-56.2	0	110.9	Q357 W446	Q357-K442 WeakPolarHBondContact CB-O 3.49Å; Q357-K442 WeakPolarHBondContact CG-O 3.44Å; Q357-K442 PolarHBondContact O-N 2.91Å; Q357-K442 PolarHBondContact OE1-O 3.04Å; K442-W446 HydrophobicContact CB-CB 4.19Å; K442-W446 HydrophobicContact CB-CD2 3.92Å; K442-W446 HydrophobicContact CB-CE3 3.83Å; K442-W446 HydrophobicContact CB-CG 4.06Å; K442-W446 HydrophobicContact CD-CD2 3.31Å; K442-W446 HydrophobicContact CD-CE3 3.55Å; K442-W446 HydrophobicContact CD-CG 3.9Å; K442-W446 HydrophobicContact CD-CH2 3.8Å; K442-W446 HydrophobicContact CD-CZ2 3.56Å; K442-W446 HydrophobicContact CD-CZ3 3.79Å; K442-W446 HydrophobicContact CG-CD2 4.23Å; K442-W446 HydrophobicContact CG-CE3 4.31Å
443	S	98.5	Very high	98.1	Very high	62 Å²	62	61.3 Å²	61.3	43%	0.434	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-72.6	162.6	178.2	62.2	0	0	0	0	112.5	W446 F447	S443-W446 WeakPolarHBondContact O-CB 3.09Å; S443-W446 PolarHBondContact O-N 3.45Å; S443-W446 PolarHBondContact OG-N 3.47Å; S443-F447 PolarHBondContact O-N 2.82Å
444	F	98.8	Very high	98	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-39.5	173.4	-165.5	-102.5	0	0	0	112	F288 F353 F406 D407 H410 W446 F447 M448	F288-F444 HydrophobicContact CE2-CZ 4.39Å; F288-F444 AromaticContact CZ-CZ 3.89Å; F288-F444 HydrophobicContact CZ-CZ 3.89Å; F353-F444 AromaticContact CD1-CE2 3.89Å; F353-F444 HydrophobicContact CD1-CE2 3.89Å; F353-F444 AromaticContact CE1-CE2 3.88Å; F353-F444 HydrophobicContact CE1-CE2 3.88Å; F353-F444 HydrophobicContact CE1-CZ 4.36Å; F353-F444 HydrophobicContact CG-CE2 4.24Å; F353-F444 HydrophobicContact CZ-CE2 4.21Å; F406-F444 HydrophobicContact CB-CD1 4.49Å; F406-F444 HydrophobicContact CB-CG 4.39Å; F406-F444 HydrophobicContact CD1-CD1 4.34Å; F406-F444 AromaticContact CD1-CE1 3.96Å; F406-F444 HydrophobicContact CD1-CE1 3.96Å; F406-F444 HydrophobicContact CD1-CZ 4.17Å; F406-F444 HydrophobicContact CD2-CD1 4.27Å; F406-F444 AromaticContact CD2-CD2 3.64Å; F406-F444 HydrophobicContact CD2-CD2 3.64Å; F406-F444 HydrophobicContact CD2-CE1 4.06Å; F406-F444 AromaticContact CD2-CE2 3.4Å; F406-F444 HydrophobicContact CD2-CE2 3.4Å; F406-F444 VanDerWaalsContact CD2-CE2 3.4Å; F406-F444 HydrophobicContact CD2-CG 4.07Å; F406-F444 AromaticContact CD2-CZ 3.63Å; F406-F444 HydrophobicContact CD2-CZ 3.63Å; F406-F444 AromaticContact CE1-CE1 3.85Å; F406-F444 HydrophobicContact CE1-CE1 3.85Å; F406-F444 AromaticContact CE1-CZ 3.79Å; F406-F444 HydrophobicContact CE1-CZ 3.79Å; F406-F444 AromaticContact CE2-CD2 3.91Å; F406-F444 HydrophobicContact CE2-CD2 3.91Å; F406-F444 AromaticContact CE2-CE1 3.94Å; F406-F444 HydrophobicContact CE2-CE1 3.94Å; F406-F444 AromaticContact CE2-CE2 3.16Å; F406-F444 HydrophobicContact CE2-CE2 3.16Å; F406-F444 AromaticContact CE2-CZ 3.17Å; F406-F444 HydrophobicContact CE2-CZ 3.17Å; F406-F444 HydrophobicContact CG-CD1 4.13Å; F406-F444 HydrophobicContact CG-CD2 4.24Å; F406-F444 HydrophobicContact CG-CE1 4.07Å; F406-F444 HydrophobicContact CG-CE2 4.2Å; F406-F444 HydrophobicContact CG-CG 4.21Å; F406-F444 HydrophobicContact CG-CZ 4.1Å; F406-F444 AromaticContact CZ-CE1 3.85Å; F406-F444 HydrophobicContact CZ-CE1 3.85Å; F406-F444 AromaticContact CZ-CE2 3.81Å; F406-F444 HydrophobicContact CZ-CE2 3.81Å; F406-F444 AromaticContact CZ-CZ 3.27Å; F406-F444 HydrophobicContact CZ-CZ 3.27Å; D407-F444 HydrophobicContact CB-CB 4.41Å; H410-F444 HydrophobicContact CB-CD1 3.61Å; H410-F444 HydrophobicContact CB-CE1 3.7Å; H410-F444 AromaticContact CD2-CD1 3.89Å; H410-F444 AromaticContact CD2-CE1 3.79Å; H410-F444 AromaticContact CG-CD1 3.47Å; H410-F444 VanDerWaalsContact CG-CD1 3.47Å; H410-F444 AromaticContact CG-CE1 3.71Å; H410-F444 AromaticContact ND1-CD1 3.69Å; F444-W446 VanDerWaalsContact C-N 3.27Å; F444-W446 PolarHBondContact O-N 2.77Å; F444-F447 HydrophobicContact CD2-CD1 4.03Å; F444-F447 AromaticContact CE2-CD1 3.59Å; F444-F447 HydrophobicContact CE2-CD1 3.59Å; F444-F447 AromaticContact CE2-CE1 3.92Å; F444-F447 HydrophobicContact CE2-CE1 3.92Å; F444-F447 AromaticContact CZ-CD1 3.98Å; F444-F447 HydrophobicContact CZ-CD1 3.98Å; F444-F447 HydrophobicContact CZ-CE1 4.15Å; F444-F447 WeakPolarHBondContact O-CA 3.14Å; F444-F447 WeakPolarHBondContact O-CB 3.45Å; F444-F447 PolarHBondContact O-N 3.3Å; F444-M448 HydrophobicContact CD1-CG 3.81Å; F444-M448 HydrophobicContact CD1-SD 4.45Å; F444-M448 HydrophobicContact CE1-CG 3.53Å; F444-M448 HydrophobicContact CE1-SD 3.61Å; F444-M448 HydrophobicContact CZ-CG 4.17Å; F444-M448 HydrophobicContact CZ-SD 3.74Å; F444-M448 WeakPolarHBondContact O-CG 3.35Å; F444-M448 PolarHBondContact O-N 3.43Å
445	Q	98.6	Very high	98	Very high	72 Å²	72	55.1 Å²	55.1	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-50.4	-45.5	168.7	-173.1	66.9	63.5	0	0	112.5	D407 H410 F447 M448 D449	D407-Q445 PolarHBondContact OD2-N 3.06Å; H410-Q445 PolarHBondContact CE1-OE1 3.33Å; H410-Q445 VanDerWaalsContact CE1-OE1 3.24Å; Q445-F447 VanDerWaalsContact C-N 3.3Å; Q445-F447 PolarHBondContact O-N 3.36Å; Q445-M448 PolarHBondContact O-N 3.25Å; Q445-D449 PolarHBondContact NE2-OD1 2.75Å; Q445-D449 WeakPolarHBondContact O-CB 3.48Å; Q445-D449 PolarHBondContact O-N 2.98Å
446	W	98.7	Very high	98	Very high	69 Å²	69	58 Å²	58	26%	0.261	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-42.8	176.7	175.7	91.1	0	0	0	111.8	W356 K442 S443 F444 D449 H450 I451	W356-W446 WeakPolarHBondContact O-CZ3 3.5Å; K442-W446 HydrophobicContact CB-CB 4.19Å; K442-W446 HydrophobicContact CB-CD2 3.92Å; K442-W446 HydrophobicContact CB-CE3 3.83Å; K442-W446 HydrophobicContact CB-CG 4.06Å; K442-W446 HydrophobicContact CD-CD2 3.31Å; K442-W446 HydrophobicContact CD-CE3 3.55Å; K442-W446 HydrophobicContact CD-CG 3.9Å; K442-W446 HydrophobicContact CD-CH2 3.8Å; K442-W446 HydrophobicContact CD-CZ2 3.56Å; K442-W446 HydrophobicContact CD-CZ3 3.79Å; K442-W446 HydrophobicContact CG-CD2 4.23Å; K442-W446 HydrophobicContact CG-CE3 4.31Å; S443-W446 WeakPolarHBondContact O-CB 3.09Å; S443-W446 PolarHBondContact O-N 3.45Å; S443-W446 PolarHBondContact OG-N 3.47Å; F444-W446 VanDerWaalsContact C-N 3.27Å; F444-W446 PolarHBondContact O-N 2.77Å; W446-D449 PolarHBondContact O-N 3.22Å; W446-H450 AromaticContact CD1-CE1 3.48Å; W446-H450 VanDerWaalsContact CD1-CE1 3.48Å; W446-H450 AromaticContact CD1-ND1 3.39Å; W446-H450 AromaticContact CE2-CG 3.91Å; W446-H450 AromaticContact CE2-ND1 3.91Å; W446-H450 AromaticContact CG-ND1 3.79Å; W446-H450 HydrophobicContact CZ2-CB 4.22Å; W446-H450 AromaticContact NE1-CD2 3.97Å; W446-H450 AromaticContact NE1-CE1 3.61Å; W446-H450 AromaticContact NE1-CG 3.7Å; W446-H450 AromaticContact NE1-ND1 3.44Å; W446-H450 PolarHBondContact NE1-ND1 2.83Å; W446-H450 AromaticContact NE1-NE2 3.9Å; W446-H450 WeakPolarHBondContact O-CB 2.97Å; W446-H450 PolarHBondContact O-N 3.08Å; W446-H450 PolarHBondContact O-ND1 3.43Å; W446-I451 HydrophobicContact CH2-CD1 4.27Å; W446-I451 HydrophobicContact CH2-CG1 4.26Å; W446-I451 HydrophobicContact CZ3-CG1 4.12Å
447	F	98.8	Very high	97.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-44.7	177	165.7	-101.4	0	0	0	111.6	F288 P317 F353 W356 Q357 S443 F444 Q445 I451 A452	F288-F447 AromaticContact CE1-CE1 3.97Å; F288-F447 HydrophobicContact CE1-CE1 3.97Å; F288-F447 HydrophobicContact CE1-CZ 4.41Å; F288-F447 HydrophobicContact CZ-CE1 4.24Å; P317-F447 HydrophobicContact CB-CE2 4.29Å; P317-F447 HydrophobicContact CB-CZ 3.88Å; F353-F447 HydrophobicContact CD1-CD1 4.35Å; F353-F447 AromaticContact CD1-CE1 3.76Å; F353-F447 HydrophobicContact CD1-CE1 3.76Å; F353-F447 AromaticContact CD1-CZ 3.83Å; F353-F447 HydrophobicContact CD1-CZ 3.83Å; F353-F447 AromaticContact CE1-CE1 3.63Å; F353-F447 HydrophobicContact CE1-CE1 3.63Å; F353-F447 AromaticContact CE1-CZ 3.85Å; F353-F447 HydrophobicContact CE1-CZ 3.85Å; W356-F447 HydrophobicContact CB-CD2 3.66Å; W356-F447 HydrophobicContact CB-CE2 3.94Å; W356-F447 AromaticContact CD1-CE2 3.63Å; W356-F447 HydrophobicContact CG-CD2 4.01Å; W356-F447 AromaticContact CG-CE2 3.86Å; W356-F447 HydrophobicContact CG-CE2 3.86Å; Q357-F447 HydrophobicContact CG-CB 4.21Å; S443-F447 PolarHBondContact O-N 2.82Å; F444-F447 HydrophobicContact CD2-CD1 4.03Å; F444-F447 AromaticContact CE2-CD1 3.59Å; F444-F447 HydrophobicContact CE2-CD1 3.59Å; F444-F447 AromaticContact CE2-CE1 3.92Å; F444-F447 HydrophobicContact CE2-CE1 3.92Å; F444-F447 AromaticContact CZ-CD1 3.98Å; F444-F447 HydrophobicContact CZ-CD1 3.98Å; F444-F447 HydrophobicContact CZ-CE1 4.15Å; F444-F447 WeakPolarHBondContact O-CA 3.14Å; F444-F447 WeakPolarHBondContact O-CB 3.45Å; F444-F447 PolarHBondContact O-N 3.3Å; Q445-F447 VanDerWaalsContact C-N 3.3Å; Q445-F447 PolarHBondContact O-N 3.36Å; F447-I451 HydrophobicContact CD2-CB 3.8Å; F447-I451 HydrophobicContact CD2-CG1 4.06Å; F447-I451 HydrophobicContact CD2-CG2 4.16Å; F447-I451 HydrophobicContact CE2-CB 3.93Å; F447-I451 HydrophobicContact CE2-CG2 3.81Å; F447-I451 WeakPolarHBondContact O-CA 3.48Å; F447-I451 WeakPolarHBondContact O-CB 3.48Å; F447-I451 PolarHBondContact O-N 3.25Å; F447-A452 HydrophobicContact CD1-CB 4.14Å; F447-A452 HydrophobicContact CE1-CB 3.58Å; F447-A452 HydrophobicContact CE2-CB 4.42Å; F447-A452 HydrophobicContact CZ-CB 3.75Å; F447-A452 PolarHBondContact O-N 3.33Å
448	M	98.6	Very high	97.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-42.8	176.6	-65.5	-56.2	-58.3	0	0	112	F288 W290 F444 Q445 H450 A452 Y453 V455 Y456	F288-M448 HydrophobicContact CZ-CE 4.41Å; F288-M448 HydrophobicContact CZ-SD 3.8Å; W290-M448 HydrophobicContact CH2-CE 3.83Å; W290-M448 HydrophobicContact CZ2-CE 4.48Å; F444-M448 HydrophobicContact CD1-CG 3.81Å; F444-M448 HydrophobicContact CD1-SD 4.45Å; F444-M448 HydrophobicContact CE1-CG 3.53Å; F444-M448 HydrophobicContact CE1-SD 3.61Å; F444-M448 HydrophobicContact CZ-CG 4.17Å; F444-M448 HydrophobicContact CZ-SD 3.74Å; F444-M448 WeakPolarHBondContact O-CG 3.35Å; F444-M448 PolarHBondContact O-N 3.43Å; Q445-M448 PolarHBondContact O-N 3.25Å; M448-H450 PolarHBondContact O-N 2.96Å; M448-A452 HydrophobicContact CE-CB 4.12Å; M448-A452 CarbonylContact O-C 3.58Å; M448-A452 HydrophobicContact SD-CB 3.78Å; M448-Y453 WeakPolarHBondContact O-CA 3.11Å; M448-Y453 PolarHBondContact O-N 3.47Å; M448-V455 HydrophobicContact CE-CB 3.92Å; M448-V455 HydrophobicContact CE-CG1 4.13Å; M448-V455 HydrophobicContact CE-CG2 4.33Å; M448-Y456 HydrophobicContact CB-CE2 4.21Å; M448-Y456 HydrophobicContact CE-CD2 4.21Å; M448-Y456 HydrophobicContact CE-CE1 4.48Å; M448-Y456 HydrophobicContact CE-CE2 3.65Å
449	D	98.3	Very high	97.8	Very high	80 Å²	80	49.3 Å²	49.3	43%	0.428	24%	0.242	S	C	.	.	H	α-helix	trans	-69	-35.8	-177.8	-65.3	-18.2	0	0	0	113	Q445 W446	Q445-D449 PolarHBondContact NE2-OD1 2.75Å; Q445-D449 WeakPolarHBondContact O-CB 3.48Å; Q445-D449 PolarHBondContact O-N 2.98Å; W446-D449 PolarHBondContact O-N 3.22Å
450	H	97.5	Very high	97.8	Very high	83 Å²	83	47.8 Å²	47.8	38%	0.384	24%	0.236	S	C	.	.	H	α-helix	trans	-104.7	-31.3	-168.3	-63.9	77.7	0	0	0	113.6	W446 M448	W446-H450 AromaticContact CD1-CE1 3.48Å; W446-H450 VanDerWaalsContact CD1-CE1 3.48Å; W446-H450 AromaticContact CD1-ND1 3.39Å; W446-H450 AromaticContact CE2-CG 3.91Å; W446-H450 AromaticContact CE2-ND1 3.91Å; W446-H450 AromaticContact CG-ND1 3.79Å; W446-H450 HydrophobicContact CZ2-CB 4.22Å; W446-H450 AromaticContact NE1-CD2 3.97Å; W446-H450 AromaticContact NE1-CE1 3.61Å; W446-H450 AromaticContact NE1-CG 3.7Å; W446-H450 AromaticContact NE1-ND1 3.44Å; W446-H450 PolarHBondContact NE1-ND1 2.83Å; W446-H450 AromaticContact NE1-NE2 3.9Å; W446-H450 WeakPolarHBondContact O-CB 2.97Å; W446-H450 PolarHBondContact O-N 3.08Å; W446-H450 PolarHBondContact O-ND1 3.43Å; M448-H450 PolarHBondContact O-N 2.96Å
451	I	98.2	Very high	97.8	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.041	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-56.7	-170.2	-49.1	-55.4	0	0	0	110.4	R285 P317 W356 W446 F447 Y453	R285-I451 PolarHBondContact NH2-O 3.4Å; R285-I451 VanDerWaalsContact NH2-O 3.1Å; P317-I451 HydrophobicContact CB-CG2 4.21Å; P317-I451 HydrophobicContact CG-CG2 4.21Å; W356-I451 HydrophobicContact CD2-CB 4.49Å; W356-I451 HydrophobicContact CD2-CD1 4.23Å; W356-I451 HydrophobicContact CD2-CG1 3.99Å; W356-I451 HydrophobicContact CD2-CG2 3.79Å; W356-I451 HydrophobicContact CE3-CD1 3.58Å; W356-I451 HydrophobicContact CE3-CG1 3.76Å; W356-I451 HydrophobicContact CE3-CG2 4.25Å; W356-I451 HydrophobicContact CG-CG1 4.47Å; W356-I451 HydrophobicContact CG-CG2 4.21Å; W356-I451 HydrophobicContact CH2-CD1 3.99Å; W356-I451 HydrophobicContact CH2-CG2 4.28Å; W356-I451 HydrophobicContact CZ2-CG2 3.81Å; W356-I451 HydrophobicContact CZ3-CD1 3.45Å; W356-I451 VanDerWaalsContact CZ3-CD1 3.45Å; W356-I451 HydrophobicContact CZ3-CG1 4.14Å; W356-I451 HydrophobicContact CZ3-CG2 4.48Å; W446-I451 HydrophobicContact CH2-CD1 4.27Å; W446-I451 HydrophobicContact CH2-CG1 4.26Å; W446-I451 HydrophobicContact CZ3-CG1 4.12Å; F447-I451 HydrophobicContact CD2-CB 3.8Å; F447-I451 HydrophobicContact CD2-CG1 4.06Å; F447-I451 HydrophobicContact CD2-CG2 4.16Å; F447-I451 HydrophobicContact CE2-CB 3.93Å; F447-I451 HydrophobicContact CE2-CG2 3.81Å; F447-I451 WeakPolarHBondContact O-CA 3.48Å; F447-I451 WeakPolarHBondContact O-CB 3.48Å; F447-I451 PolarHBondContact O-N 3.25Å; I451-Y453 PolarHBondContact O-N 2.83Å
452	A	98.2	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-96.3	25.5	-172.9	0	0	0	0	0	113.9	F288 P317 F447 M448 D454 V455	F288-A452 HydrophobicContact CE1-CB 4.43Å; P317-A452 HydrophobicContact CB-CB 3.84Å; P317-A452 HydrophobicContact CG-CB 4.09Å; F447-A452 HydrophobicContact CD1-CB 4.14Å; F447-A452 HydrophobicContact CE1-CB 3.58Å; F447-A452 HydrophobicContact CE2-CB 4.42Å; F447-A452 HydrophobicContact CZ-CB 3.75Å; F447-A452 PolarHBondContact O-N 3.33Å; M448-A452 HydrophobicContact CE-CB 4.12Å; M448-A452 CarbonylContact O-C 3.58Å; M448-A452 HydrophobicContact SD-CB 3.78Å; A452-D454 PolarHBondContact O-N 3.28Å; A452-D454 VanDerWaalsContact O-N 3.16Å; A452-V455 HydrophobicContact CB-CG2 3.77Å; A452-V455 VanDerWaalsContact O-CB 3.23Å; A452-V455 WeakPolarHBondContact O-CB 3.41Å; A452-V455 VanDerWaalsContact O-CG2 3.25Å; A452-V455 WeakPolarHBondContact O-CG2 3.46Å; A452-V455 PolarHBondContact O-N 2.98Å
453	Y	97.1	Very high	97.7	Very high	44 Å²	44	39.4 Å²	39.4	17%	0.173	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.8	-172.9	53.9	-94.7	0	0	0	113.7	P300 R302 E303 M448 I451 V455	P300-Y453 HydrophobicContact CB-CE2 4.2Å; P300-Y453 HydrophobicContact CG-CE2 3.95Å; P300-Y453 VanDerWaalsContact CG-OH 3.25Å; P300-Y453 WeakPolarHBondContact CG-OH 3.03Å; R302-Y453 WeakPolarHBondContact CB-OH 3.49Å; E303-Y453 PolarHBondContact OE1-OH 3.19Å; M448-Y453 WeakPolarHBondContact O-CA 3.11Å; M448-Y453 PolarHBondContact O-N 3.47Å; I451-Y453 PolarHBondContact O-N 2.83Å; Y453-V455 VanDerWaalsContact C-N 3.32Å
454	D	97.1	Very high	97.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.4	179.5	68	-36.9	0	0	0	113.5	R285 N297 A452 Y456 D457	R285-D454 IonicContact CZ-OD1 3.55Å; R285-D454 IonicContact CZ-OD2 2.66Å; R285-D454 IonicContact NE-OD1 3.9Å; R285-D454 IonicContact NE-OD2 2.77Å; R285-D454 PolarHBondContact NE-OD2 3.41Å; R285-D454 IonicContact NH2-OD1 3.9Å; R285-D454 PolarHBondContact NH2-OD1 2.85Å; R285-D454 IonicContact NH2-OD2 2.95Å; R285-D454 PolarHBondContact NH2-OD2 2.88Å; N297-D454 PolarHBondContact ND2-O 3.04Å; N297-D454 PolarHBondContact ND2-OD2 2.81Å; A452-D454 PolarHBondContact O-N 3.28Å; A452-D454 VanDerWaalsContact O-N 3.16Å; D454-Y456 PolarHBondContact O-N 3.49Å; D454-D457 WeakPolarHBondContact O-CB 3.46Å; D454-D457 PolarHBondContact O-N 3.15Å
455	V	98.4	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-41.8	170.2	170.8	0	0	0	0	109.4	I287 F288 W290 M448 A452 Y453 D457 K458 F459	I287-V455 HydrophobicContact CB-CG2 4Å; I287-V455 HydrophobicContact CG2-CG2 4.11Å; F288-V455 HydrophobicContact CD1-CG2 4.39Å; F288-V455 HydrophobicContact CE1-CG2 4.07Å; F288-V455 HydrophobicContact CZ-CG2 4.41Å; F288-V455 WeakPolarHBondContact O-CG1 3.31Å; W290-V455 HydrophobicContact CZ2-CG1 4.36Å; M448-V455 HydrophobicContact CE-CB 3.92Å; M448-V455 HydrophobicContact CE-CG1 4.13Å; M448-V455 HydrophobicContact CE-CG2 4.33Å; A452-V455 HydrophobicContact CB-CG2 3.77Å; A452-V455 VanDerWaalsContact O-CB 3.23Å; A452-V455 WeakPolarHBondContact O-CB 3.41Å; A452-V455 VanDerWaalsContact O-CG2 3.25Å; A452-V455 WeakPolarHBondContact O-CG2 3.46Å; A452-V455 PolarHBondContact O-N 2.98Å; Y453-V455 VanDerWaalsContact C-N 3.32Å; V455-D457 PolarHBondContact O-N 2.64Å; V455-K458 PolarHBondContact O-N 3.08Å; V455-F459 HydrophobicContact CG1-CB 4.32Å; V455-F459 WeakPolarHBondContact O-CA 3.42Å; V455-F459 PolarHBondContact O-N 2.74Å
456	Y	97.3	Very high	97.6	Very high	67 Å²	67	42.6 Å²	42.6	26%	0.263	22%	0.224	S	C	.	.	H	α-helix	trans	-64.9	-23.7	-178	-70.6	-59.7	0	0	0	114.2	W290 H410 M448 D454 K458 P460	W290-Y456 HydrophobicContact CH2-CE1 4.03Å; W290-Y456 HydrophobicContact CZ2-CD1 4.07Å; W290-Y456 AromaticContact CZ2-CE1 3.51Å; W290-Y456 HydrophobicContact CZ2-CE1 3.51Å; H410-Y456 PolarHBondContact CD2-OH 3.45Å; H410-Y456 VanDerWaalsContact CD2-OH 3.28Å; H410-Y456 PolarHBondContact NE2-OH 2.89Å; M448-Y456 HydrophobicContact CB-CE2 4.21Å; M448-Y456 HydrophobicContact CE-CD2 4.21Å; M448-Y456 HydrophobicContact CE-CE1 4.48Å; M448-Y456 HydrophobicContact CE-CE2 3.65Å; D454-Y456 PolarHBondContact O-N 3.49Å; Y456-K458 VanDerWaalsContact C-N 3.27Å; Y456-K458 PolarHBondContact O-N 3.41Å; Y456-P460 WeakPolarHBondContact O-CD 3.15Å
457	D	95.4	Very high	97.5	Very high	116 Å²	116	41 Å²	41	62%	0.62	22%	0.22	S	C	*	.	H	α-helix	trans	-63.1	-35.7	179.3	-64.1	-19.6	0	0	0	111.6	D454 V455 G535	D454-D457 WeakPolarHBondContact O-CB 3.46Å; D454-D457 PolarHBondContact O-N 3.15Å; V455-D457 PolarHBondContact O-N 2.64Å; D457-G535 VanDerWaalsContact O-CA 3.28Å; D457-G535 WeakPolarHBondContact O-CA 3.36Å
458	K	96.3	Very high	97.4	Very high	68 Å²	68	42.8 Å²	42.8	30%	0.296	23%	0.227	S	C	.	.	H	α-helix	trans	-105.9	-33.2	177.9	-69.9	-173.7	-174.3	164.6	0	113.2	E296 N297 V455 Y456 P460 L534 G535	E296-K458 PolarHBondContact O-NZ 3.46Å; N297-K458 WeakPolarHBondContact OD1-CD 3.49Å; N297-K458 WeakPolarHBondContact OD1-CE 3.12Å; N297-K458 PolarHBondContact OD1-NZ 3.14Å; V455-K458 PolarHBondContact O-N 3.08Å; Y456-K458 VanDerWaalsContact C-N 3.27Å; Y456-K458 PolarHBondContact O-N 3.41Å; K458-P460 VanDerWaalsContact C-CD 3.42Å; K458-P460 WeakPolarHBondContact O-CD 3.28Å; K458-L534 HydrophobicContact CB-CB 4.47Å; K458-L534 HydrophobicContact CB-CD2 4.44Å; K458-L534 HydrophobicContact CD-CD1 4.09Å; K458-L534 HydrophobicContact CG-CB 4.47Å; K458-L534 HydrophobicContact CG-CD1 4.32Å; K458-G535 PolarHBondContact O-N 2.68Å
459	F	97.4	Very high	97.4	Very high	39 Å²	39	42.8 Å²	42.8	17%	0.171	23%	0.227	C	C	.	.	S	Bend	trans	-127.5	71.2	-173.6	-52.8	-68.2	0	0	0	110.2	I287 F288 E289 W290 K295 V455 L534	I287-F459 HydrophobicContact CD1-CD2 4.09Å; I287-F459 HydrophobicContact CD1-CE2 3.84Å; F288-F459 WeakPolarHBondContact O-CD2 3.34Å; E289-F459 HydrophobicContact CB-CB 4.39Å; E289-F459 HydrophobicContact CB-CD1 3.57Å; E289-F459 HydrophobicContact CB-CD2 4.03Å; E289-F459 HydrophobicContact CB-CE1 3.76Å; E289-F459 HydrophobicContact CB-CE2 4.21Å; E289-F459 HydrophobicContact CB-CG 3.71Å; E289-F459 HydrophobicContact CB-CZ 4.08Å; W290-F459 PolarHBondContact NE1-O 3.47Å; K295-F459 HydrophobicContact CB-CE2 3.99Å; K295-F459 HydrophobicContact CB-CZ 4.41Å; K295-F459 HydrophobicContact CD-CZ 4.11Å; K295-F459 HydrophobicContact CG-CE2 3.81Å; K295-F459 HydrophobicContact CG-CZ 3.85Å; V455-F459 HydrophobicContact CG1-CB 4.32Å; V455-F459 WeakPolarHBondContact O-CA 3.42Å; V455-F459 PolarHBondContact O-N 2.74Å; F459-L534 HydrophobicContact CE1-CD2 3.95Å; F459-L534 HydrophobicContact CZ-CD2 4.17Å
460	P	97.3	Very high	97.3	Very high	28 Å²	28	39.1 Å²	39.1	18%	0.182	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-55.9	159	174.1	20	-32.3	0	0	0	112.9	W290 Y456 K458 L462 V537	W290-P460 PolarHBondContact NE1-O 3.27Å; Y456-P460 WeakPolarHBondContact O-CD 3.15Å; K458-P460 VanDerWaalsContact C-CD 3.42Å; K458-P460 WeakPolarHBondContact O-CD 3.28Å; P460-L462 PolarHBondContact O-N 3.34Å; P460-V537 HydrophobicContact CB-CG1 4.04Å; P460-V537 HydrophobicContact CG-CG1 3.55Å
461	G	96.8	Very high	97.4	Very high	24 Å²	24	35.1 Å²	35.1	25%	0.247	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-55.4	136.2	174.8	0	0	0	0	0	111.7
462	L	97.3	Very high	97.3	Very high	30 Å²	30	35.8 Å²	35.8	16%	0.157	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-86.1	126.3	-172	-61.7	-176.8	0	0	0	111.7	W290 Y413 T416 R417 P460 V537	W290-L462 HydrophobicContact CB-CD1 3.84Å; W290-L462 HydrophobicContact CB-CG 4.35Å; W290-L462 HydrophobicContact CG-CD1 4.19Å; W290-L462 HydrophobicContact CG-CG 4.16Å; Y413-L462 HydrophobicContact CD1-CB 4.24Å; Y413-L462 VanDerWaalsContact CD1-N 3.26Å; Y413-L462 WeakPolarHBondContact CD1-O 3.38Å; T416-L462 HydrophobicContact CG2-CB 3.83Å; T416-L462 HydrophobicContact CG2-CD1 4.35Å; R417-L462 HydrophobicContact CB-CD1 3.77Å; P460-L462 PolarHBondContact O-N 3.34Å; L462-V537 HydrophobicContact CD2-CG1 4.01Å
463	P	97.5	Very high	97.3	Very high	34 Å²	34	35.8 Å²	35.8	22%	0.221	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-62.8	146.7	168.5	-17.3	29.7	0	0	0	110.7	T416 A509 A510 V537	T416-P463 WeakPolarHBondContact CG2-O 3.46Å; P463-A509 HydrophobicContact CB-CB 4.15Å; P463-A510 HydrophobicContact CG-CB 4.01Å; P463-V537 HydrophobicContact CG-CB 4.06Å; P463-V537 HydrophobicContact CG-CG2 3.62Å
464	A	97.1	Very high	97.3	Very high	65 Å²	65	36.2 Å²	36.2	54%	0.537	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-54.4	146	178.1	0	0	0	0	0	112.4	L466 N508 A509	A464-L466 PolarHBondContact O-N 3.28Å; A464-N508 WeakPolarHBondContact O-CA 3.45Å; A464-A509 PolarHBondContact O-N 3.39Å
465	N	97.7	Very high	97.2	Very high	29 Å²	29	37.8 Å²	37.8	16%	0.155	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.6	169.7	-65.6	-34.2	0	0	0	109.4	T416 W468 L507	T416-N465 PolarHBondContact O-ND2 2.8Å; N465-W468 HydrophobicContact CB-CB 4.35Å; N465-W468 HydrophobicContact CB-CG 4.47Å; N465-L507 CarbonylContact C-O 3.53Å; N465-L507 WeakPolarHBondContact CA-O 2.96Å
466	L	97.6	Very high	96.9	Very high	108 Å²	108	40 Å²	40	57%	0.565	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	-40.2	167.5	-62.9	-179.7	0	0	0	110	A464 L507 A509	A464-L466 PolarHBondContact O-N 3.28Å; L466-L507 PolarHBondContact N-O 2.82Å; L466-A509 HydrophobicContact CD1-CB 4.43Å; L466-A509 HydrophobicContact CD2-CB 4.07Å; L466-A509 HydrophobicContact CG-CB 4.08Å
467	H	97.8	Very high	96.6	Very high	36 Å²	36	41.1 Å²	41.1	17%	0.167	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.1	176	-54.6	-75.6	0	0	0	110.2	L507 Y543 E545 F584	H467-L507 HydrophobicContact CB-CB 4.4Å; H467-L507 PolarHBondContact N-O 3.24Å; H467-L507 PolarHBondContact O-N 2.81Å; H467-Y543 AromaticContact CD2-CD1 3.67Å; H467-Y543 AromaticContact CE1-CD1 3.97Å; H467-Y543 AromaticContact NE2-CD1 3.49Å; H467-Y543 WeakPolarHBondContact NE2-CD1 3.45Å; H467-E545 IonicContact CE1-OE1 2.91Å; H467-E545 PolarHBondContact CE1-OE1 2.77Å; H467-E545 IonicContact NE2-OE1 3.4Å; H467-F584 HydrophobicContact CB-CB 4.04Å; H467-F584 HydrophobicContact CB-CD1 3.86Å; H467-F584 HydrophobicContact CB-CD2 3.51Å; H467-F584 HydrophobicContact CB-CE1 4.12Å; H467-F584 HydrophobicContact CB-CE2 3.81Å; H467-F584 HydrophobicContact CB-CG 3.53Å; H467-F584 HydrophobicContact CB-CZ 4.09Å; H467-F584 AromaticContact CG-CD2 3.84Å
468	W	97.5	Very high	96.6	Very high	38 Å²	38	36 Å²	36	14%	0.144	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.8	170.7	64.6	-84.6	0	0	0	110.8	P419 L420 Y423 N465 L504 V505 R506 E586	P419-W468 HydrophobicContact CB-CD2 3.59Å; P419-W468 HydrophobicContact CB-CE3 3.68Å; P419-W468 HydrophobicContact CB-CG 4.18Å; P419-W468 HydrophobicContact CB-CH2 4.08Å; P419-W468 HydrophobicContact CB-CZ2 3.97Å; P419-W468 HydrophobicContact CB-CZ3 3.93Å; P419-W468 HydrophobicContact CG-CD2 3.77Å; P419-W468 HydrophobicContact CG-CE3 3.54Å; P419-W468 HydrophobicContact CG-CG 4.21Å; P419-W468 HydrophobicContact CG-CZ3 4.05Å; L420-W468 HydrophobicContact CD2-CH2 4.3Å; L420-W468 HydrophobicContact CD2-CZ3 3.92Å; L420-W468 HydrophobicContact CG-CZ3 4.41Å; Y423-W468 AromaticContact CE2-CH2 3.9Å; Y423-W468 HydrophobicContact CE2-CH2 3.9Å; Y423-W468 HydrophobicContact CE2-CZ2 4.34Å; N465-W468 HydrophobicContact CB-CB 4.35Å; N465-W468 HydrophobicContact CB-CG 4.47Å; W468-L504 HydrophobicContact CE3-CD1 3.83Å; W468-L504 HydrophobicContact CZ3-CD1 4.18Å; W468-V505 CarbonylContact C-O 3.57Å; W468-V505 WeakPolarHBondContact CA-O 3.41Å; W468-R506 HydrophobicContact CB-CB 4.36Å; W468-R506 HydrophobicContact CB-CG 4.04Å; W468-E586 HydrophobicContact CD2-CG 4.19Å; W468-E586 HydrophobicContact CE3-CG 4.28Å; W468-E586 HydrophobicContact CH2-CG 3.44Å; W468-E586 VanDerWaalsContact CH2-CG 3.44Å; W468-E586 HydrophobicContact CZ2-CG 3.34Å; W468-E586 WeakPolarHBondContact CZ2-OE1 3.16Å; W468-E586 HydrophobicContact CZ3-CG 3.94Å
469	G	97.4	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.1	-146.1	-179.5	0	0	0	0	0	111.1	Q503 V505 K585	G469-Q503 VanDerWaalsContact O-O 3.09Å; G469-V505 PolarHBondContact N-O 3.42Å; G469-V505 PolarHBondContact O-N 2.77Å; G469-K585 CarbonylContact C-O 3.57Å; G469-K585 WeakPolarHBondContact CA-O 3.48Å
470	E	97.1	Very high	96.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.8	173.1	-71.1	176.7	152.5	0	0	110	R472 C479 G498 F584 K585 I587	E470-R472 HydrophobicContact CB-CG 4.22Å; E470-R472 IonicContact OE2-CZ 3.51Å; E470-R472 VanDerWaalsContact OE2-CZ 3.23Å; E470-R472 IonicContact OE2-NE 3.6Å; E470-R472 PolarHBondContact OE2-NE 3.28Å; E470-R472 IonicContact OE2-NH2 2.73Å; E470-R472 PolarHBondContact OE2-NH2 2.99Å; E470-C479 VanDerWaalsContact CB-SG 3.59Å; E470-G498 WeakPolarHBondContact OE1-CA 3.45Å; E470-G498 PolarHBondContact OE1-N 3.32Å; E470-F584 WeakPolarHBondContact O-CA 3.42Å; E470-K585 HydrophobicContact CB-CB 4.3Å; E470-K585 PolarHBondContact N-O 3.07Å; E470-K585 PolarHBondContact O-N 3.22Å; E470-I587 HydrophobicContact CG-CD1 3.83Å; E470-I587 HydrophobicContact CG-CG1 3.95Å
471	L	98	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	107.2	170	179.8	64.4	0	0	0	109.5	C479 L480 V505 L513 L550 W582 F584	L471-C479 WeakPolarHBondContact O-CA 3.4Å; L471-L480 HydrophobicContact CB-CB 4.1Å; L471-L480 HydrophobicContact CD2-CB 4.17Å; L471-L480 HydrophobicContact CD2-CD2 3.67Å; L471-L480 HydrophobicContact CG-CB 4.37Å; L471-L480 PolarHBondContact O-N 2.96Å; L471-V505 HydrophobicContact CB-CB 4.11Å; L471-V505 HydrophobicContact CB-CG1 4.32Å; L471-V505 HydrophobicContact CB-CG2 4.01Å; L471-V505 HydrophobicContact CD2-CG1 4.43Å; L471-L513 HydrophobicContact CD2-CD2 4.48Å; L471-L550 HydrophobicContact CD1-CD1 3.76Å; L471-L550 HydrophobicContact CD2-CD1 3.42Å; L471-L550 VanDerWaalsContact CD2-CD1 3.42Å; L471-L550 HydrophobicContact CG-CD1 4.17Å; L471-W582 HydrophobicContact CD1-CB 3.82Å; L471-W582 HydrophobicContact CG-CE3 4.15Å; L471-F584 HydrophobicContact CB-CD1 4.42Å; L471-F584 HydrophobicContact CB-CE1 4.2Å; L471-F584 HydrophobicContact CD1-CD1 4.19Å; L471-F584 HydrophobicContact CD1-CD2 3.99Å; L471-F584 HydrophobicContact CD1-CE1 3.94Å; L471-F584 HydrophobicContact CD1-CE2 3.72Å; L471-F584 HydrophobicContact CD1-CG 4.22Å; L471-F584 HydrophobicContact CD1-CZ 3.7Å
472	R	97.7	Very high	96.6	Very high	22 Å²	22	29 Å²	29	8%	0.083	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.6	-171.6	-70.5	174.7	171.5	-120.8	-1.2	111.9	E470 D477 G478 C479 W582 W583 K585	E470-R472 HydrophobicContact CB-CG 4.22Å; E470-R472 IonicContact OE2-CZ 3.51Å; E470-R472 VanDerWaalsContact OE2-CZ 3.23Å; E470-R472 IonicContact OE2-NE 3.6Å; E470-R472 PolarHBondContact OE2-NE 3.28Å; E470-R472 IonicContact OE2-NH2 2.73Å; E470-R472 PolarHBondContact OE2-NH2 2.99Å; R472-D477 IonicContact NH1-OD1 3.37Å; R472-D477 PolarHBondContact NH1-OD1 2.7Å; R472-D477 IonicContact NH1-OD2 2.88Å; R472-G478 CarbonylContact C-O 3.54Å; R472-G478 WeakPolarHBondContact CA-O 3.49Å; R472-C479 VanDerWaalsContact CG-SG 3.5Å; R472-W582 CarbonylContact O-C 3.56Å; R472-W582 VanDerWaalsContact O-CA 3.23Å; R472-W582 WeakPolarHBondContact O-CA 3.44Å; R472-W583 HydrophobicContact CB-CD2 4.27Å; R472-W583 HydrophobicContact CB-CG 4.41Å; R472-W583 HydrophobicContact CB-CZ2 4.2Å; R472-W583 HydrophobicContact CG-CZ2 4.33Å; R472-W583 PolarHBondContact N-O 3.08Å; R472-W583 PolarHBondContact O-N 3.49Å; R472-K585 VanDerWaalsContact CZ-CD 3.48Å; R472-K585 VanDerWaalsContact NE-CD 3.34Å; R472-K585 VanDerWaalsContact NH2-NZ 3.13Å
473	S	97.2	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.3	168.7	-178.4	0	0	0	0	110.2	A475 S476 D477 G478	S473-A475 PolarHBondContact OG-N 2.9Å; S473-S476 WeakPolarHBondContact CB-OG 3.18Å; S473-D477 VanDerWaalsContact O-CA 3.25Å; S473-D477 WeakPolarHBondContact O-CA 3.37Å; S473-D477 PolarHBondContact O-N 3.23Å; S473-G478 PolarHBondContact N-O 2.71Å
474	V	96.4	Very high	96.1	Very high	53 Å²	53	32.3 Å²	32.3	32%	0.321	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-35.7	173.8	175.2	0	0	0	0	111.3	K548 Q581	V474-K548 HydrophobicContact CG2-CD 3.93Å; V474-Q581 HydrophobicContact CB-CB 3.83Å; V474-Q581 HydrophobicContact CG1-CB 4.49Å; V474-Q581 HydrophobicContact CG2-CB 3.7Å; V474-Q581 WeakPolarHBondContact CG2-O 3.42Å; V474-Q581 PolarHBondContact N-O 3.38Å
475	A	95.1	Very high	95.9	Very high	34 Å²	34	34.2 Å²	34.2	28%	0.281	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-38.2	-176.8	0	0	0	0	0	114.1	S473 S578 Y579	S473-A475 PolarHBondContact OG-N 2.9Å; A475-S578 WeakPolarHBondContact CB-O 3.3Å; A475-S578 PolarHBondContact N-O 3.47Å; A475-Y579 HydrophobicContact CB-CD1 3.55Å; A475-Y579 HydrophobicContact CB-CD2 3.95Å; A475-Y579 HydrophobicContact CB-CE1 3.7Å; A475-Y579 HydrophobicContact CB-CE2 4.09Å; A475-Y579 HydrophobicContact CB-CG 3.67Å
476	S	92.7	Very high	95.6	Very high	48 Å²	48	39.6 Å²	39.6	34%	0.336	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-8.2	-173.3	63.6	0	0	0	0	115	S473 G478 L493	S473-S476 WeakPolarHBondContact CB-OG 3.18Å; S476-G478 PolarHBondContact O-N 2.8Å; S476-G478 PolarHBondContact OG-N 3.04Å; S476-L493 WeakPolarHBondContact OG-CD2 3.23Å
477	D	90.9	Very high	95.4	Very high	90 Å²	90	35.7 Å²	35.7	48%	0.481	20%	0.202	S	C	.	.			trans	54.4	13.8	-168.5	-163.3	37.9	0	0	0	114.2	R472 S473 C496	R472-D477 IonicContact NH1-OD1 3.37Å; R472-D477 PolarHBondContact NH1-OD1 2.7Å; R472-D477 IonicContact NH1-OD2 2.88Å; S473-D477 VanDerWaalsContact O-CA 3.25Å; S473-D477 WeakPolarHBondContact O-CA 3.37Å; S473-D477 PolarHBondContact O-N 3.23Å; D477-C496 PolarHBondContact O-SG 3.19Å
478	G	96.1	Very high	95.2	Very high	8 Å²	8	39.4 Å²	39.4	8%	0.082	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-76.9	154.7	172.2	0	0	0	0	0	112.1	R472 S473 S476 T494	R472-G478 CarbonylContact C-O 3.54Å; R472-G478 WeakPolarHBondContact CA-O 3.49Å; S473-G478 PolarHBondContact N-O 2.71Å; S476-G478 PolarHBondContact O-N 2.8Å; S476-G478 PolarHBondContact OG-N 3.04Å; G478-T494 CarbonylContact C-O 3.59Å; G478-T494 VanDerWaalsContact CA-O 3.28Å; G478-T494 WeakPolarHBondContact CA-O 3.12Å
479	C	97.4	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.1	179.8	-81.3	0	0	0	0	112	E470 L471 R472 D481 L493 T494 C496 Q503	E470-C479 VanDerWaalsContact CB-SG 3.59Å; L471-C479 WeakPolarHBondContact O-CA 3.4Å; R472-C479 VanDerWaalsContact CG-SG 3.5Å; C479-D481 PolarHBondContact O-N 3.25Å; C479-L493 WeakPolarHBondContact O-CA 3.47Å; C479-L493 WeakPolarHBondContact O-CD1 3.13Å; C479-T494 PolarHBondContact N-O 3.38Å; C479-T494 PolarHBondContact O-N 2.04Å; C479-C496 HydrophobicContact CB-CB 4.02Å; C479-C496 WeakPolarHBondContact CB-SG 3.38Å; C479-C496 PolarHBondContact N-SG 3.23Å; C479-C496 VanDerWaalsContact N-SG 3.39Å; C479-C496 VanDerWaalsContact SG-CA 3.51Å; C479-C496 WeakPolarHBondContact SG-CB 3.21Å; C479-C496 CovalentContact SG-SG 2.03Å; C479-C496 PolarHBondContact SG-SG 2.8Å; C479-Q503 HydrophobicContact CB-CG 4.37Å
480	L	97.8	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	128.1	169.1	-177.6	67.9	0	0	0	109.4	L471 M491 V505 L568	L471-L480 HydrophobicContact CB-CB 4.1Å; L471-L480 HydrophobicContact CD2-CB 4.17Å; L471-L480 HydrophobicContact CD2-CD2 3.67Å; L471-L480 HydrophobicContact CG-CB 4.37Å; L471-L480 PolarHBondContact O-N 2.96Å; L480-M491 HydrophobicContact CD1-CB 3.79Å; L480-M491 HydrophobicContact CD1-CE 3.95Å; L480-M491 HydrophobicContact CD1-SD 4.1Å; L480-M491 HydrophobicContact CD2-CE 3.86Å; L480-M491 HydrophobicContact CD2-SD 3.95Å; L480-M491 HydrophobicContact CG-CE 3.58Å; L480-M491 HydrophobicContact CG-SD 4.13Å; L480-V505 HydrophobicContact CB-CG2 4.44Å; L480-V505 HydrophobicContact CD2-CG2 4.2Å; L480-L568 HydrophobicContact CD1-CD1 3.23Å
481	D	97.2	Very high	94.9	Very high	4 Å²	4	43 Å²	43	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.1	-170.9	-161.7	-35.6	0	0	0	111.4	C479 M483 G492 T494 N502 Q503	C479-D481 PolarHBondContact O-N 3.25Å; D481-M483 VanDerWaalsContact C-N 3.27Å; D481-M483 HydrophobicContact CB-CE 4.25Å; D481-M483 HydrophobicContact CB-SD 4.19Å; D481-M483 WeakPolarHBondContact OD1-CA 3.11Å; D481-M483 PolarHBondContact OD1-N 2.92Å; D481-G492 PolarHBondContact N-O 3.18Å; D481-G492 PolarHBondContact O-N 2.92Å; D481-T494 HydrophobicContact CB-CG2 3.72Å; D481-T494 WeakPolarHBondContact OD2-CG2 3.24Å; D481-N502 VanDerWaalsContact CG-ND2 3.25Å; D481-N502 WeakPolarHBondContact OD1-CB 3.32Å; D481-N502 PolarHBondContact OD1-ND2 2.83Å; D481-N502 PolarHBondContact OD2-ND2 3.47Å; D481-Q503 HydrophobicContact CB-CG 3.92Å; D481-Q503 WeakPolarHBondContact OD2-CG 3.37Å; D481-Q503 PolarHBondContact OD2-NE2 2.99Å
482	S	95.6	Very high	94.8	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.063	26%	0.262	C	S	.	.			trans	-79.4	-7.9	172.8	68.1	0	0	0	0	114.2	G484 H485 N502	S482-G484 PolarHBondContact O-N 2.75Å; S482-G484 VanDerWaalsContact O-N 3.08Å; S482-G484 PolarHBondContact OG-N 3.17Å; S482-H485 WeakPolarHBondContact O-CB 3.47Å; S482-H485 PolarHBondContact O-N 3.13Å; S482-N502 PolarHBondContact N-O 2.87Å; S482-N502 VanDerWaalsContact N-O 3.13Å; S482-N502 WeakPolarHBondContact OG-CA 3.38Å; S482-N502 VanDerWaalsContact OG-CB 3.23Å; S482-N502 WeakPolarHBondContact OG-CB 3.21Å
483	M	93.7	Very high	94.7	Very high	78 Å²	78	44.1 Å²	44.1	38%	0.384	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	18.5	-174.5	-53.5	-65.7	-175	0	0	113.6	D481 H485 T494	D481-M483 VanDerWaalsContact C-N 3.27Å; D481-M483 HydrophobicContact CB-CE 4.25Å; D481-M483 HydrophobicContact CB-SD 4.19Å; D481-M483 WeakPolarHBondContact OD1-CA 3.11Å; D481-M483 PolarHBondContact OD1-N 2.92Å; M483-H485 PolarHBondContact O-N 3.4Å; M483-T494 HydrophobicContact CE-CG2 4.18Å; M483-T494 HydrophobicContact SD-CG2 4.36Å
484	G	89.8	Confident	94.5	Very high	55 Å²	55	46.2 Å²	46.2	57%	0.567	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	10.6	-172.3	0	0	0	0	0	114.3	S482	S482-G484 PolarHBondContact O-N 2.75Å; S482-G484 VanDerWaalsContact O-N 3.08Å; S482-G484 PolarHBondContact OG-N 3.17Å
485	H	93.6	Very high	94.5	Very high	105 Å²	105	51.9 Å²	51.9	49%	0.486	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-70.2	148.2	179.1	-63.2	161.8	0	0	0	112	S482 M483 A489 L529	S482-H485 WeakPolarHBondContact O-CB 3.47Å; S482-H485 PolarHBondContact O-N 3.13Å; M483-H485 PolarHBondContact O-N 3.4Å; H485-A489 HydrophobicContact CB-CB 3.54Å; H485-L529 WeakPolarHBondContact O-CD2 3.22Å
486	Q	91.8	Very high	94.5	Very high	142 Å²	142	51.5 Å²	51.5	66%	0.664	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-79.9	143.6	170.1	-65.8	-60.5	-36.5	0	0	110.5	A489	Q486-A489 WeakPolarHBondContact O-CB 3.05Å
487	P	93.1	Very high	94.5	Very high	25 Å²	25	52.3 Å²	52.3	16%	0.162	29%	0.288	C	S	.	.	S	Bend	trans	-69	151.4	177.1	32.1	-38.6	0	0	0	112	R518 L529 V531	P487-R518 HydrophobicContact CG-CG 4.28Å; P487-L529 HydrophobicContact CB-CG 4.47Å; P487-V531 HydrophobicContact CB-CG2 4.23Å; P487-V531 HydrophobicContact CG-CG2 3.7Å
488	P	93.9	Very high	94.4	Very high	115 Å²	115	49.8 Å²	49.8	75%	0.747	28%	0.284	S	S	*	.	S	Bend	cis	-77.4	129.6	-5.3	31.5	-32.9	0	0	0	111.6	L529	P488-L529 WeakPolarHBondContact CA-O 3.39Å
489	A	94.7	Very high	94	Very high	16 Å²	16	51.4 Å²	51.4	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.6	179.2	0	0	0	0	0	111.3	H485 Q486 M491 K528 L529	H485-A489 HydrophobicContact CB-CB 3.54Å; Q486-A489 WeakPolarHBondContact O-CB 3.05Å; A489-M491 PolarHBondContact O-N 3.09Å; A489-K528 CarbonylContact O-C 3.51Å; A489-K528 WeakPolarHBondContact O-CA 3.44Å; A489-K528 WeakPolarHBondContact O-CB 3.28Å; A489-L529 PolarHBondContact N-O 3.39Å; A489-L529 VanDerWaalsContact N-O 3.12Å; A489-L529 PolarHBondContact O-N 2.89Å
490	I	94.3	Very high	93.6	Very high	94 Å²	94	51.4 Å²	51.4	48%	0.482	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.1	173.4	-60.7	178.2	0	0	0	108.4
491	M	96	Very high	93.2	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.02	33%	0.333	C	S	.	.			trans	-79.3	146.8	173.2	-64.4	-159.2	75.1	0	0	110.4	L480 A489 V515 V520 I527 L529 L568	L480-M491 HydrophobicContact CD1-CB 3.79Å; L480-M491 HydrophobicContact CD1-CE 3.95Å; L480-M491 HydrophobicContact CD1-SD 4.1Å; L480-M491 HydrophobicContact CD2-CE 3.86Å; L480-M491 HydrophobicContact CD2-SD 3.95Å; L480-M491 HydrophobicContact CG-CE 3.58Å; L480-M491 HydrophobicContact CG-SD 4.13Å; A489-M491 PolarHBondContact O-N 3.09Å; M491-V515 HydrophobicContact CE-CG2 4.24Å; M491-V520 HydrophobicContact CE-CG2 4.35Å; M491-V520 HydrophobicContact SD-CB 4.11Å; M491-V520 HydrophobicContact SD-CG1 3.59Å; M491-V520 VanDerWaalsContact SD-CG1 3.59Å; M491-V520 HydrophobicContact SD-CG2 3.5Å; M491-V520 WeakPolarHBondContact SD-CG2 3.41Å; M491-I527 HydrophobicContact CB-CG2 4.43Å; M491-I527 PolarHBondContact N-O 3.04Å; M491-L529 HydrophobicContact CG-CB 4.3Å; M491-L568 HydrophobicContact CB-CD1 4.26Å
492	G	95.2	Very high	93	Very high	18 Å²	18	59.4 Å²	59.4	19%	0.186	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	174.5	179.1	0	0	0	0	0	112.3	D481	D481-G492 PolarHBondContact N-O 3.18Å; D481-G492 PolarHBondContact O-N 2.92Å
493	L	95.4	Very high	93.1	Very high	29 Å²	29	59 Å²	59	15%	0.152	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135	166.4	-154.1	82.1	0	0	0	109.2	S476 C479 L561 W582	S476-L493 WeakPolarHBondContact OG-CD2 3.23Å; C479-L493 WeakPolarHBondContact O-CA 3.47Å; C479-L493 WeakPolarHBondContact O-CD1 3.13Å; L493-L561 HydrophobicContact CB-CD1 4.33Å; L493-L561 HydrophobicContact CD2-CD1 4.08Å; L493-L561 HydrophobicContact CD2-CD2 3.65Å; L493-W582 HydrophobicContact CD1-CH2 4.33Å; L493-W582 HydrophobicContact CD1-CZ3 3.92Å
494	T	94.6	Very high	93.2	Very high	44 Å²	44	55.8 Å²	55.8	27%	0.27	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	-179.3	174.7	-170.2	0	0	0	0	110.7	G478 C479 D481 M483	G478-T494 CarbonylContact C-O 3.59Å; G478-T494 VanDerWaalsContact CA-O 3.28Å; G478-T494 WeakPolarHBondContact CA-O 3.12Å; C479-T494 PolarHBondContact N-O 3.38Å; C479-T494 PolarHBondContact O-N 2.04Å; D481-T494 HydrophobicContact CB-CG2 3.72Å; D481-T494 WeakPolarHBondContact OD2-CG2 3.24Å; M483-T494 HydrophobicContact CE-CG2 4.18Å; M483-T494 HydrophobicContact SD-CG2 4.36Å
495	Y	95	Very high	93.6	Very high	171 Å²	171	53.1 Å²	53.1	67%	0.671	30%	0.297	S	S	*	.			trans	-60.6	144.6	175	76.8	-85	0	0	0	110.9	H497 Q503	Y495-H497 HydrophobicContact CD2-CB 4.27Å; Y495-H497 HydrophobicContact CE2-CB 3.62Å; Y495-H497 PolarHBondContact O-N 3.27Å; Y495-Q503 PolarHBondContact O-NE2 3.2Å
496	C	95.3	Very high	93.8	Very high	27 Å²	27	49.1 Å²	49.1	18%	0.182	28%	0.278	C	S	.	.			trans	-78.7	113.4	179.1	-62.7	0	0	0	0	111.1	D477 C479	D477-C496 PolarHBondContact O-SG 3.19Å; C479-C496 HydrophobicContact CB-CB 4.02Å; C479-C496 WeakPolarHBondContact CB-SG 3.38Å; C479-C496 PolarHBondContact N-SG 3.23Å; C479-C496 VanDerWaalsContact N-SG 3.39Å; C479-C496 VanDerWaalsContact SG-CA 3.51Å; C479-C496 WeakPolarHBondContact SG-CB 3.21Å; C479-C496 CovalentContact SG-SG 2.03Å; C479-C496 PolarHBondContact SG-SG 2.8Å
497	H	92.4	Very high	94.1	Very high	64 Å²	64	42.5 Å²	42.5	30%	0.296	25%	0.247	S	C	.	.			trans	-96	-5.7	-173.6	60.8	74.3	0	0	0	114.4	Y495 G499 G500 Q503	Y495-H497 HydrophobicContact CD2-CB 4.27Å; Y495-H497 HydrophobicContact CE2-CB 3.62Å; Y495-H497 PolarHBondContact O-N 3.27Å; H497-G499 PolarHBondContact ND1-N 3.2Å; H497-G499 VanDerWaalsContact ND1-N 3.16Å; H497-G499 PolarHBondContact O-N 3.04Å; H497-G500 PolarHBondContact CE1-O 3.39Å; H497-G500 VanDerWaalsContact CE1-O 3.23Å; H497-Q503 PolarHBondContact CD2-NE2 3.48Å; H497-Q503 PolarHBondContact CD2-OE1 2.92Å; H497-Q503 VanDerWaalsContact CD2-OE1 3.23Å; H497-Q503 VanDerWaalsContact N-OE1 3.15Å; H497-Q503 VanDerWaalsContact NE2-CG 3.3Å; H497-Q503 WeakPolarHBondContact NE2-CG 3.28Å; H497-Q503 PolarHBondContact NE2-OE1 2.74Å
498	G	89.6	Confident	94.4	Very high	38 Å²	38	41.7 Å²	41.7	39%	0.392	24%	0.242	S	C	.	.	S	Bend	trans	68	4	175.5	0	0	0	0	0	115.5	E470 I587	E470-G498 WeakPolarHBondContact OE1-CA 3.45Å; E470-G498 PolarHBondContact OE1-N 3.32Å; G498-I587 WeakPolarHBondContact O-CG2 3.1Å
499	G	87.2	Confident	94.5	Very high	42 Å²	42	39 Å²	39	43%	0.433	23%	0.229	S	C	.	.			trans	-92.5	-10.2	-173.2	0	0	0	0	0	114.6	H497	H497-G499 PolarHBondContact ND1-N 3.2Å; H497-G499 VanDerWaalsContact ND1-N 3.16Å; H497-G499 PolarHBondContact O-N 3.04Å
500	G	89.7	Confident	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.235	C	C	.	.			trans	76.9	-127.4	-173.5	0	0	0	0	0	112.3	H497 N502 Q503	H497-G500 PolarHBondContact CE1-O 3.39Å; H497-G500 VanDerWaalsContact CE1-O 3.23Å; G500-N502 PolarHBondContact O-N 2.88Å; G500-N502 VanDerWaalsContact O-N 3.14Å; G500-Q503 PolarHBondContact O-N 3.06Å
501	N	89.2	Confident	94.9	Very high	128 Å²	128	35.5 Å²	35.5	68%	0.684	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	51.3	-113.5	-177.4	-62.5	-37.3	0	0	0	113	Q503 L504	N501-Q503 PolarHBondContact O-N 2.9Å; N501-L504 WeakPolarHBondContact O-CB 3.46Å; N501-L504 PolarHBondContact O-N 3.12Å; N501-L504 VanDerWaalsContact O-N 3.09Å
502	N	94	Very high	95	Very high	43 Å²	43	36.5 Å²	36.5	23%	0.23	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-65.5	-15	178.6	51.8	-52.8	0	0	0	114.1	D481 S482 G500	D481-N502 VanDerWaalsContact CG-ND2 3.25Å; D481-N502 WeakPolarHBondContact OD1-CB 3.32Å; D481-N502 PolarHBondContact OD1-ND2 2.83Å; D481-N502 PolarHBondContact OD2-ND2 3.47Å; S482-N502 PolarHBondContact N-O 2.87Å; S482-N502 VanDerWaalsContact N-O 3.13Å; S482-N502 WeakPolarHBondContact OG-CA 3.38Å; S482-N502 VanDerWaalsContact OG-CB 3.23Å; S482-N502 WeakPolarHBondContact OG-CB 3.21Å; G500-N502 PolarHBondContact O-N 2.88Å; G500-N502 VanDerWaalsContact O-N 3.14Å
503	Q	96	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-108.1	6.7	172.4	-66.2	-172.8	-2.8	0	0	113.7	G469 C479 D481 Y495 H497 G500 N501 V505	G469-Q503 VanDerWaalsContact O-O 3.09Å; C479-Q503 HydrophobicContact CB-CG 4.37Å; D481-Q503 HydrophobicContact CB-CG 3.92Å; D481-Q503 WeakPolarHBondContact OD2-CG 3.37Å; D481-Q503 PolarHBondContact OD2-NE2 2.99Å; Y495-Q503 PolarHBondContact O-NE2 3.2Å; H497-Q503 PolarHBondContact CD2-NE2 3.48Å; H497-Q503 PolarHBondContact CD2-OE1 2.92Å; H497-Q503 VanDerWaalsContact CD2-OE1 3.23Å; H497-Q503 VanDerWaalsContact N-OE1 3.15Å; H497-Q503 VanDerWaalsContact NE2-CG 3.3Å; H497-Q503 WeakPolarHBondContact NE2-CG 3.28Å; H497-Q503 PolarHBondContact NE2-OE1 2.74Å; G500-Q503 PolarHBondContact O-N 3.06Å; N501-Q503 PolarHBondContact O-N 2.9Å; Q503-V505 PolarHBondContact O-N 2.88Å
504	L	96.6	Very high	95.2	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.058	20%	0.204	C	C	.	.			trans	-85.3	87.5	176.2	-174.5	63.4	0	0	0	110.3	P419 L420 W468 N501 I587	P419-L504 HydrophobicContact CG-CD1 4.29Å; P419-L504 HydrophobicContact CG-CD2 4.19Å; L420-L504 HydrophobicContact CD1-CD1 4.41Å; L420-L504 HydrophobicContact CD1-CD2 4.02Å; L420-L504 HydrophobicContact CG-CD1 4.34Å; L420-L504 HydrophobicContact CG-CD2 4.13Å; W468-L504 HydrophobicContact CE3-CD1 3.83Å; W468-L504 HydrophobicContact CZ3-CD1 4.18Å; N501-L504 WeakPolarHBondContact O-CB 3.46Å; N501-L504 PolarHBondContact O-N 3.12Å; N501-L504 VanDerWaalsContact O-N 3.09Å; L504-I587 HydrophobicContact CD1-CD1 4.18Å
505	V	98	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.1	179.2	-172.8	0	0	0	0	109.8	W468 G469 L471 L480 Q503 L513 G514 V515 F584	W468-V505 CarbonylContact C-O 3.57Å; W468-V505 WeakPolarHBondContact CA-O 3.41Å; G469-V505 PolarHBondContact N-O 3.42Å; G469-V505 PolarHBondContact O-N 2.77Å; L471-V505 HydrophobicContact CB-CB 4.11Å; L471-V505 HydrophobicContact CB-CG1 4.32Å; L471-V505 HydrophobicContact CB-CG2 4.01Å; L471-V505 HydrophobicContact CD2-CG1 4.43Å; L480-V505 HydrophobicContact CB-CG2 4.44Å; L480-V505 HydrophobicContact CD2-CG2 4.2Å; Q503-V505 PolarHBondContact O-N 2.88Å; V505-L513 HydrophobicContact CG1-CD1 3.46Å; V505-L513 VanDerWaalsContact CG1-CD1 3.46Å; V505-L513 HydrophobicContact CG1-CD2 4.22Å; V505-L513 HydrophobicContact CG1-CG 3.71Å; V505-G514 CarbonylContact C-O 3.57Å; V505-G514 WeakPolarHBondContact CA-O 3.1Å; V505-V515 HydrophobicContact CG2-CG2 4.02Å; V505-F584 HydrophobicContact CB-CE1 4.39Å; V505-F584 HydrophobicContact CG1-CE1 4.11Å
506	R	98	Very high	95.2	Very high	20 Å²	20	25.9 Å²	25.9	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.7	-179.3	-57.1	176	-65.6	117.5	2.7	109.5	T416 R417 P419 W468 L513 G514 G516	T416-R506 WeakPolarHBondContact O-CD 3.5Å; T416-R506 PolarHBondContact O-NH1 3.39Å; R417-R506 PolarHBondContact O-NE 2.95Å; P419-R506 HydrophobicContact CG-CG 4.44Å; W468-R506 HydrophobicContact CB-CB 4.36Å; W468-R506 HydrophobicContact CB-CG 4.04Å; R506-L513 CarbonylContact O-C 3.52Å; R506-L513 VanDerWaalsContact O-CA 3.25Å; R506-L513 WeakPolarHBondContact O-CA 3.39Å; R506-G514 PolarHBondContact N-O 2.89Å; R506-G514 PolarHBondContact O-N 3.33Å; R506-G516 PolarHBondContact NH2-O 2.83Å
507	L	98.5	Very high	95	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.8	169.7	179.7	59.1	0	0	0	109	N465 L466 H467 Q512 L513 W541 Y543 L550 F584	N465-L507 CarbonylContact C-O 3.53Å; N465-L507 WeakPolarHBondContact CA-O 2.96Å; L466-L507 PolarHBondContact N-O 2.82Å; H467-L507 HydrophobicContact CB-CB 4.4Å; H467-L507 PolarHBondContact N-O 3.24Å; H467-L507 PolarHBondContact O-N 2.81Å; L507-Q512 WeakPolarHBondContact CA-O 3.41Å; L507-L513 HydrophobicContact CB-CD1 3.83Å; L507-L513 HydrophobicContact CD1-CD1 4.24Å; L507-W541 HydrophobicContact CD1-CB 3.98Å; L507-Y543 VanDerWaalsContact CD2-CB 3.46Å; L507-L550 HydrophobicContact CD2-CD2 4.34Å; L507-F584 HydrophobicContact CB-CZ 3.98Å; L507-F584 HydrophobicContact CD2-CE2 4.5Å
508	N	98	Very high	95.2	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.043	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	166.8	178.2	78.9	11.6	0	0	0	112.9	A464 A510 G511 Q512 V537	A464-N508 WeakPolarHBondContact O-CA 3.45Å; N508-A510 PolarHBondContact O-N 3.06Å; N508-A510 VanDerWaalsContact O-N 3.15Å; N508-A510 WeakPolarHBondContact OD1-CA 3.25Å; N508-A510 PolarHBondContact OD1-N 2.03Å; N508-G511 PolarHBondContact O-N 2.95Å; N508-G511 PolarHBondContact OD1-N 2.67Å; N508-Q512 PolarHBondContact N-O 2.77Å; N508-Q512 WeakPolarHBondContact OD1-CB 3.4Å; N508-Q512 PolarHBondContact OD1-N 2.81Å; N508-V537 PolarHBondContact ND2-O 2.89Å
509	A	97.6	Very high	95.6	Very high	59 Å²	59	24.8 Å²	24.8	49%	0.488	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.5	-179.9	0	0	0	0	0	114.5	P463 A464 L466 G511	P463-A509 HydrophobicContact CB-CB 4.15Å; A464-A509 PolarHBondContact O-N 3.39Å; L466-A509 HydrophobicContact CD1-CB 4.43Å; L466-A509 HydrophobicContact CD2-CB 4.07Å; L466-A509 HydrophobicContact CG-CB 4.08Å; A509-G511 VanDerWaalsContact C-N 3.33Å
510	A	97.7	Very high	96.1	Very high	30 Å²	30	22.8 Å²	22.8	25%	0.248	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.5	175.3	0	0	0	0	0	113.2	P463 N508 V537 D538 G539	P463-A510 HydrophobicContact CG-CB 4.01Å; N508-A510 PolarHBondContact O-N 3.06Å; N508-A510 VanDerWaalsContact O-N 3.15Å; N508-A510 WeakPolarHBondContact OD1-CA 3.25Å; N508-A510 PolarHBondContact OD1-N 2.03Å; A510-V537 HydrophobicContact CB-CG2 4.37Å; A510-D538 HydrophobicContact CB-CB 4.11Å; A510-D538 WeakPolarHBondContact O-CA 3.31Å; A510-G539 PolarHBondContact O-N 2.92Å; A510-G539 VanDerWaalsContact O-N 3.16Å
511	G	98	Very high	96.4	Very high	6 Å²	6	25 Å²	25	6%	0.062	15%	0.146	C	C	.	.	S	Bend	trans	81.6	16.4	175.5	0	0	0	0	0	115	N508 A509 G539 W541	N508-G511 PolarHBondContact O-N 2.95Å; N508-G511 PolarHBondContact OD1-N 2.67Å; A509-G511 VanDerWaalsContact C-N 3.33Å; G511-G539 CarbonylContact C-O 3.52Å; G511-G539 CarbonylContact O-C 3.48Å; G511-G539 VanDerWaalsContact O-CA 3.27Å; G511-G539 WeakPolarHBondContact O-CA 3.4Å; G511-W541 WeakPolarHBondContact CA-O 3.45Å; G511-W541 WeakPolarHBondContact O-CA 3.37Å; G511-W541 VanDerWaalsContact O-CB 3.31Å; G511-W541 WeakPolarHBondContact O-CB 3.13Å; G511-W541 PolarHBondContact O-N 2.88Å
512	Q	98	Very high	96.7	Very high	24 Å²	24	19.3 Å²	19.3	11%	0.112	12%	0.117	C	C	.	.			trans	-83.6	127	172.3	-169.2	178.5	89.3	0	0	110	L507 N508 C519 V537 D538	L507-Q512 WeakPolarHBondContact CA-O 3.41Å; N508-Q512 PolarHBondContact N-O 2.77Å; N508-Q512 WeakPolarHBondContact OD1-CB 3.4Å; N508-Q512 PolarHBondContact OD1-N 2.81Å; Q512-C519 VanDerWaalsContact CG-SG 3.6Å; Q512-V537 VanDerWaalsContact CB-O 3.29Å; Q512-V537 WeakPolarHBondContact CB-O 3.18Å; Q512-D538 PolarHBondContact NE2-O 2.75Å
513	L	98	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.8	172.2	-164.9	72.1	0	0	0	107.8	L471 V505 R506 L507 C519 V520 W541 M559 F584	L471-L513 HydrophobicContact CD2-CD2 4.48Å; V505-L513 HydrophobicContact CG1-CD1 3.46Å; V505-L513 VanDerWaalsContact CG1-CD1 3.46Å; V505-L513 HydrophobicContact CG1-CD2 4.22Å; V505-L513 HydrophobicContact CG1-CG 3.71Å; R506-L513 CarbonylContact O-C 3.52Å; R506-L513 VanDerWaalsContact O-CA 3.25Å; R506-L513 WeakPolarHBondContact O-CA 3.39Å; L507-L513 HydrophobicContact CB-CD1 3.83Å; L507-L513 HydrophobicContact CD1-CD1 4.24Å; L513-C519 CarbonylContact O-C 3.55Å; L513-C519 WeakPolarHBondContact O-CA 3.45Å; L513-V520 HydrophobicContact CB-CB 4.08Å; L513-V520 HydrophobicContact CB-CG2 4.49Å; L513-V520 HydrophobicContact CD2-CB 3.86Å; L513-V520 HydrophobicContact CD2-CG1 3.96Å; L513-V520 HydrophobicContact CD2-CG2 4.14Å; L513-V520 HydrophobicContact CG-CB 4.08Å; L513-V520 HydrophobicContact CG-CG2 4.12Å; L513-V520 PolarHBondContact O-N 2.84Å; L513-W541 HydrophobicContact CB-CB 4.33Å; L513-W541 HydrophobicContact CB-CG 3.83Å; L513-W541 HydrophobicContact CD2-CD2 4.43Å; L513-W541 HydrophobicContact CD2-CG 4.49Å; L513-M559 HydrophobicContact CD2-CE 4.26Å; L513-F584 HydrophobicContact CD1-CE1 4.41Å; L513-F584 HydrophobicContact CD1-CZ 3.99Å
514	G	96.9	Very high	95.8	Very high	2 Å²	2	32 Å²	32	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.4	-171.8	0	0	0	0	0	114.5	V505 R506 R518	V505-G514 CarbonylContact C-O 3.57Å; V505-G514 WeakPolarHBondContact CA-O 3.1Å; R506-G514 PolarHBondContact N-O 2.89Å; R506-G514 PolarHBondContact O-N 3.33Å; G514-R518 CarbonylContact C-O 2.96Å; G514-R518 VanDerWaalsContact CA-O 3.22Å; G514-R518 WeakPolarHBondContact CA-O 3.29Å
515	V	96.4	Very high	95.3	Very high	9 Å²	9	38.3 Å²	38.3	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	116.7	175	-179.8	0	0	0	0	107.3	M491 V505 E517 R518 V520 L529	M491-V515 HydrophobicContact CE-CG2 4.24Å; V505-V515 HydrophobicContact CG2-CG2 4.02Å; V515-E517 PolarHBondContact O-N 3.22Å; V515-R518 PolarHBondContact N-O 2.85Å; V515-R518 WeakPolarHBondContact O-CB 3.49Å; V515-R518 PolarHBondContact O-N 2.91Å; V515-V520 HydrophobicContact CG2-CG2 4.16Å; V515-L529 HydrophobicContact CB-CD1 4.14Å
516	G	93.5	Very high	95	Very high	29 Å²	29	38.4 Å²	38.4	30%	0.299	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-137.9	-169	0	0	0	0	0	111.4	R417 R506 R518	R417-G516 PolarHBondContact NE-O 2.79Å; R417-G516 VanDerWaalsContact NH1-C 3.27Å; R417-G516 VanDerWaalsContact NH1-CA 3.35Å; R417-G516 PolarHBondContact NH1-O 3.01Å; R506-G516 PolarHBondContact NH2-O 2.83Å; G516-R518 PolarHBondContact O-N 3.23Å
517	E	92.5	Very high	95	Very high	55 Å²	55	37.5 Å²	37.5	26%	0.257	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	7.7	175.8	61.6	167.1	172.2	0	0	113.3	L293 K295 R417 V515	L293-E517 HydrophobicContact CD1-CG 4.45Å; K295-E517 IonicContact NZ-OE1 3.16Å; K295-E517 IonicContact NZ-OE2 3.76Å; K295-E517 PolarHBondContact NZ-OE2 2.87Å; R417-E517 VanDerWaalsContact CZ-N 3.34Å; V515-E517 PolarHBondContact O-N 3.22Å
518	R	96.2	Very high	94.9	Very high	49 Å²	49	40 Å²	40	19%	0.185	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	157.8	-174.1	-51.9	-51.8	-173.7	-158.7	-8.8	110.6	P487 G514 V515 G516 L529 A530	P487-R518 HydrophobicContact CG-CG 4.28Å; G514-R518 CarbonylContact C-O 2.96Å; G514-R518 VanDerWaalsContact CA-O 3.22Å; G514-R518 WeakPolarHBondContact CA-O 3.29Å; V515-R518 PolarHBondContact N-O 2.85Å; V515-R518 WeakPolarHBondContact O-CB 3.49Å; V515-R518 PolarHBondContact O-N 2.91Å; G516-R518 PolarHBondContact O-N 3.23Å; R518-L529 HydrophobicContact CB-CD1 3.63Å; R518-L529 HydrophobicContact CB-CD2 4.22Å; R518-L529 HydrophobicContact CB-CG 3.81Å; R518-L529 HydrophobicContact CG-CD1 4.45Å; R518-L529 HydrophobicContact CG-CD2 4.17Å; R518-L529 HydrophobicContact CG-CG 4.27Å; R518-A530 WeakPolarHBondContact CB-O 3.42Å
519	C	97.4	Very high	94.8	Very high	1 Å²	1	40 Å²	40	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.8	-179.9	-74.9	0	0	0	0	109.5	Q512 L513 A530 C532	Q512-C519 VanDerWaalsContact CG-SG 3.6Å; L513-C519 CarbonylContact O-C 3.55Å; L513-C519 WeakPolarHBondContact O-CA 3.45Å; C519-A530 PolarHBondContact N-O 3.26Å; C519-A530 PolarHBondContact O-N 3.03Å; C519-C532 VanDerWaalsContact CA-SG 3.57Å; C519-C532 HydrophobicContact CB-CB 4.06Å; C519-C532 WeakPolarHBondContact CB-SG 3.47Å; C519-C532 PolarHBondContact N-SG 2.93Å; C519-C532 VanDerWaalsContact SG-CA 3.58Å; C519-C532 WeakPolarHBondContact SG-CB 3.25Å; C519-C532 CovalentContact SG-SG 2.04Å; C519-C532 PolarHBondContact SG-SG 2.85Å
520	V	97.4	Very high	94.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.3	170.2	-176.2	0	0	0	0	107.2	M491 L513 V515 I527 K528 W541	M491-V520 HydrophobicContact CE-CG2 4.35Å; M491-V520 HydrophobicContact SD-CB 4.11Å; M491-V520 HydrophobicContact SD-CG1 3.59Å; M491-V520 VanDerWaalsContact SD-CG1 3.59Å; M491-V520 HydrophobicContact SD-CG2 3.5Å; M491-V520 WeakPolarHBondContact SD-CG2 3.41Å; L513-V520 HydrophobicContact CB-CB 4.08Å; L513-V520 HydrophobicContact CB-CG2 4.49Å; L513-V520 HydrophobicContact CD2-CB 3.86Å; L513-V520 HydrophobicContact CD2-CG1 3.96Å; L513-V520 HydrophobicContact CD2-CG2 4.14Å; L513-V520 HydrophobicContact CG-CB 4.08Å; L513-V520 HydrophobicContact CG-CG2 4.12Å; L513-V520 PolarHBondContact O-N 2.84Å; V515-V520 HydrophobicContact CG2-CG2 4.16Å; V520-I527 HydrophobicContact CG1-CG2 3.5Å; V520-I527 VanDerWaalsContact CG1-CG2 3.5Å; V520-K528 CarbonylContact C-O 3.28Å; V520-K528 WeakPolarHBondContact CA-O 3.34Å; V520-W541 HydrophobicContact CG1-CZ2 4.38Å; V520-W541 PolarHBondContact O-NE1 3.1Å
521	E	95.9	Very high	94.7	Very high	46 Å²	46	40.6 Å²	40.6	22%	0.215	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	166.2	179.2	-68.1	-68	174.8	0	0	109.5	K528 A530	E521-K528 HydrophobicContact CB-CG 4.22Å; E521-K528 PolarHBondContact N-O 3.07Å; E521-K528 PolarHBondContact O-N 3.4Å; E521-A530 HydrophobicContact CB-CB 4.21Å; E521-A530 HydrophobicContact CG-CB 3.84Å
522	A	94.9	Very high	94.6	Very high	9 Å²	9	41.5 Å²	41.5	7%	0.074	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.4	176.4	0	0	0	0	0	111.4	G526 I527 W541 L570	A522-G526 WeakPolarHBondContact CA-O 3.44Å; A522-I527 HydrophobicContact CB-CD1 3.56Å; A522-W541 HydrophobicContact CB-CH2 3.9Å; A522-W541 HydrophobicContact CB-CZ2 3.9Å; A522-L570 HydrophobicContact CB-CD1 3.62Å; A522-L570 HydrophobicContact CB-CD2 4.12Å; A522-L570 HydrophobicContact CB-CG 3.84Å
523	D	88.7	Confident	94.5	Very high	49 Å²	49	47.1 Å²	47.1	26%	0.262	22%	0.224	S	C	.	.			trans	-144	-160.1	171.5	66.2	23.1	0	0	0	111.1	Q525 G526 K528	D523-Q525 VanDerWaalsContact C-N 3.26Å; D523-Q525 PolarHBondContact O-N 3.4Å; D523-Q525 WeakPolarHBondContact OD1-CA 3.46Å; D523-Q525 WeakPolarHBondContact OD1-CB 3.5Å; D523-Q525 PolarHBondContact OD1-N 2.92Å; D523-G526 PolarHBondContact N-O 3.09Å; D523-G526 PolarHBondContact O-N 3.06Å; D523-G526 PolarHBondContact OD1-N 3.02Å; D523-K528 WeakPolarHBondContact OD2-CE 3.21Å; D523-K528 IonicContact OD2-NZ 3.45Å; D523-K528 PolarHBondContact OD2-NZ 2.66Å
524	R	84.1	Confident	94.3	Very high	259 Å²	259	52 Å²	52	98%	0.977	25%	0.25	S	C	*	.	S	Bend	trans	-67.7	-23.3	179.5	-63.2	-176.2	-174.8	179.4	2	113.6
525	Q	85.1	Confident	94.3	Very high	144 Å²	144	53.7 Å²	53.7	67%	0.673	27%	0.266	S	S	*	.	S	Bend	trans	-84.3	-24.5	-179.2	-61.9	-178	-12.4	0	0	112	D523	D523-Q525 VanDerWaalsContact C-N 3.26Å; D523-Q525 PolarHBondContact O-N 3.4Å; D523-Q525 WeakPolarHBondContact OD1-CA 3.46Å; D523-Q525 WeakPolarHBondContact OD1-CB 3.5Å; D523-Q525 PolarHBondContact OD1-N 2.92Å
526	G	92.7	Very high	94.3	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.031	28%	0.277	C	S	.	.			trans	144.3	-155.6	174.2	0	0	0	0	0	113.1	A522 D523 L568	A522-G526 WeakPolarHBondContact CA-O 3.44Å; D523-G526 PolarHBondContact N-O 3.09Å; D523-G526 PolarHBondContact O-N 3.06Å; D523-G526 PolarHBondContact OD1-N 3.02Å; G526-L568 WeakPolarHBondContact CA-O 3.42Å
527	I	97.1	Very high	94.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.9	174.8	-51.2	-52.6	0	0	0	109	M491 V520 A522 W541 M559 L568 L570	M491-I527 HydrophobicContact CB-CG2 4.43Å; M491-I527 PolarHBondContact N-O 3.04Å; V520-I527 HydrophobicContact CG1-CG2 3.5Å; V520-I527 VanDerWaalsContact CG1-CG2 3.5Å; A522-I527 HydrophobicContact CB-CD1 3.56Å; I527-W541 HydrophobicContact CD1-CH2 3.84Å; I527-W541 HydrophobicContact CD1-CZ2 4.49Å; I527-M559 HydrophobicContact CD1-CE 4.28Å; I527-M559 HydrophobicContact CD1-CG 4.28Å; I527-M559 HydrophobicContact CG1-CE 4.23Å; I527-M559 HydrophobicContact CG1-CG 4.05Å; I527-M559 HydrophobicContact CG1-SD 4.49Å; I527-M559 HydrophobicContact CG2-CE 3.85Å; I527-L568 HydrophobicContact CB-CB 3.86Å; I527-L568 HydrophobicContact CB-CD1 4.46Å; I527-L568 HydrophobicContact CG1-CB 3.67Å; I527-L568 PolarHBondContact N-O 2.85Å; I527-L570 HydrophobicContact CD1-CD2 4.07Å; I527-L570 HydrophobicContact CD1-CG 4.22Å
528	K	95.7	Very high	94.6	Very high	58 Å²	58	56.2 Å²	56.2	25%	0.252	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.6	-172.1	66.7	-176.3	-177.2	-176.2	0	113.1	A489 V520 E521 D523	A489-K528 CarbonylContact O-C 3.51Å; A489-K528 WeakPolarHBondContact O-CA 3.44Å; A489-K528 WeakPolarHBondContact O-CB 3.28Å; V520-K528 CarbonylContact C-O 3.28Å; V520-K528 WeakPolarHBondContact CA-O 3.34Å; E521-K528 HydrophobicContact CB-CG 4.22Å; E521-K528 PolarHBondContact N-O 3.07Å; E521-K528 PolarHBondContact O-N 3.4Å; D523-K528 WeakPolarHBondContact OD2-CE 3.21Å; D523-K528 IonicContact OD2-NZ 3.45Å; D523-K528 PolarHBondContact OD2-NZ 2.66Å
529	L	97	Very high	94.6	Very high	6 Å²	6	54 Å²	54	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129	163.1	-164.5	75.2	0	0	0	109	H485 P487 P488 A489 M491 V515 R518	H485-L529 WeakPolarHBondContact O-CD2 3.22Å; P487-L529 HydrophobicContact CB-CG 4.47Å; P488-L529 WeakPolarHBondContact CA-O 3.39Å; A489-L529 PolarHBondContact N-O 3.39Å; A489-L529 VanDerWaalsContact N-O 3.12Å; A489-L529 PolarHBondContact O-N 2.89Å; M491-L529 HydrophobicContact CG-CB 4.3Å; V515-L529 HydrophobicContact CB-CD1 4.14Å; R518-L529 HydrophobicContact CB-CD1 3.63Å; R518-L529 HydrophobicContact CB-CD2 4.22Å; R518-L529 HydrophobicContact CB-CG 3.81Å; R518-L529 HydrophobicContact CG-CD1 4.45Å; R518-L529 HydrophobicContact CG-CD2 4.17Å; R518-L529 HydrophobicContact CG-CG 4.27Å
530	A	96.4	Very high	94.6	Very high	15 Å²	15	54.6 Å²	54.6	12%	0.124	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160.4	179.4	0	0	0	0	0	111.3	R518 C519 E521 C532	R518-A530 WeakPolarHBondContact CB-O 3.42Å; C519-A530 PolarHBondContact N-O 3.26Å; C519-A530 PolarHBondContact O-N 3.03Å; E521-A530 HydrophobicContact CB-CB 4.21Å; E521-A530 HydrophobicContact CG-CB 3.84Å; A530-C532 PolarHBondContact O-N 3.03Å
531	V	96.2	Very high	94.6	Very high	87 Å²	87	54.7 Å²	54.7	53%	0.527	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125.8	166.3	-178.2	0	0	0	0	107.7	P487	P487-V531 HydrophobicContact CB-CG2 4.23Å; P487-V531 HydrophobicContact CG-CG2 3.7Å
532	C	95.9	Very high	94.7	Very high	25 Å²	25	57.2 Å²	57.2	17%	0.169	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-58.7	143.5	176.1	-64.6	0	0	0	0	110.7	C519 A530 L534	C519-C532 VanDerWaalsContact CA-SG 3.57Å; C519-C532 HydrophobicContact CB-CB 4.06Å; C519-C532 WeakPolarHBondContact CB-SG 3.47Å; C519-C532 PolarHBondContact N-SG 2.93Å; C519-C532 VanDerWaalsContact SG-CA 3.58Å; C519-C532 WeakPolarHBondContact SG-CB 3.25Å; C519-C532 CovalentContact SG-SG 2.04Å; C519-C532 PolarHBondContact SG-SG 2.85Å; A530-C532 PolarHBondContact O-N 3.03Å; C532-L534 PolarHBondContact O-N 2.86Å
533	R	95.4	Very high	94.8	Very high	143 Å²	143	58.4 Å²	58.4	54%	0.54	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-65.7	118.7	173	-62.9	-175.7	-55.6	-157.6	3	109.2	T536 D538	R533-T536 HydrophobicContact CB-CG2 4.37Å; R533-T536 WeakPolarHBondContact CB-OG1 3.02Å; R533-T536 PolarHBondContact O-N 2.76Å; R533-T536 PolarHBondContact O-OG1 2.97Å; R533-D538 IonicContact NH2-OD1 3.65Å; R533-D538 IonicContact NH2-OD2 3.6Å
534	L	95.3	Very high	95.2	Very high	103 Å²	103	59.3 Å²	59.3	54%	0.539	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	145.1	178.4	-61.7	177.6	0	0	0	110.7	K458 F459 C532 T536	K458-L534 HydrophobicContact CB-CB 4.47Å; K458-L534 HydrophobicContact CB-CD2 4.44Å; K458-L534 HydrophobicContact CD-CD1 4.09Å; K458-L534 HydrophobicContact CG-CB 4.47Å; K458-L534 HydrophobicContact CG-CD1 4.32Å; F459-L534 HydrophobicContact CE1-CD2 3.95Å; F459-L534 HydrophobicContact CZ-CD2 4.17Å; C532-L534 PolarHBondContact O-N 2.86Å; L534-T536 PolarHBondContact O-N 3.25Å
535	G	96.2	Very high	95.7	Very high	36 Å²	36	52.9 Å²	52.9	37%	0.371	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	6.4	-179.1	0	0	0	0	0	114.2	D457 K458	D457-G535 VanDerWaalsContact O-CA 3.28Å; D457-G535 WeakPolarHBondContact O-CA 3.36Å; K458-G535 PolarHBondContact O-N 2.68Å
536	T	96.3	Very high	96.1	Very high	45 Å²	45	54.4 Å²	54.4	28%	0.276	28%	0.281	S	S	.	.			trans	-128.1	147.1	-179.3	72.5	0	0	0	0	112.1	R533 L534 D538	R533-T536 HydrophobicContact CB-CG2 4.37Å; R533-T536 WeakPolarHBondContact CB-OG1 3.02Å; R533-T536 PolarHBondContact O-N 2.76Å; R533-T536 PolarHBondContact O-OG1 2.97Å; L534-T536 PolarHBondContact O-N 3.25Å; T536-D538 WeakPolarHBondContact CB-OD1 3.23Å
537	V	96.5	Very high	96.3	Very high	29 Å²	29	56.2 Å²	56.2	18%	0.176	29%	0.291	C	S	.	.			trans	-122.2	-4.9	174.5	-60.3	0	0	0	0	112.8	P460 L462 P463 N508 A510 Q512	P460-V537 HydrophobicContact CB-CG1 4.04Å; P460-V537 HydrophobicContact CG-CG1 3.55Å; L462-V537 HydrophobicContact CD2-CG1 4.01Å; P463-V537 HydrophobicContact CG-CB 4.06Å; P463-V537 HydrophobicContact CG-CG2 3.62Å; N508-V537 PolarHBondContact ND2-O 2.89Å; A510-V537 HydrophobicContact CB-CG2 4.37Å; Q512-V537 VanDerWaalsContact CB-O 3.29Å; Q512-V537 WeakPolarHBondContact CB-O 3.18Å
538	D	96.6	Very high	96.3	Very high	72 Å²	72	59.9 Å²	59.9	39%	0.385	31%	0.308	S	S	.	.			trans	-84	163	178.7	70.5	-54.4	0	0	0	111.1	A510 Q512 R533 T536	A510-D538 HydrophobicContact CB-CB 4.11Å; A510-D538 WeakPolarHBondContact O-CA 3.31Å; Q512-D538 PolarHBondContact NE2-O 2.75Å; R533-D538 IonicContact NH2-OD1 3.65Å; R533-D538 IonicContact NH2-OD2 3.6Å; T536-D538 WeakPolarHBondContact CB-OD1 3.23Å
539	G	95.8	Very high	96.3	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.021	30%	0.298	C	S	.	.			trans	-158.3	168.6	170.6	0	0	0	0	0	111.1	A510 G511 W541 R553	A510-G539 PolarHBondContact O-N 2.92Å; A510-G539 VanDerWaalsContact O-N 3.16Å; G511-G539 CarbonylContact C-O 3.52Å; G511-G539 CarbonylContact O-C 3.48Å; G511-G539 VanDerWaalsContact O-CA 3.27Å; G511-G539 WeakPolarHBondContact O-CA 3.4Å; G539-W541 PolarHBondContact O-N 3.16Å; G539-R553 PolarHBondContact O-NH1 3.16Å; G539-R553 PolarHBondContact O-NH2 2.96Å
540	P	96.7	Very high	96.4	Very high	15 Å²	15	57.4 Å²	57.4	10%	0.097	30%	0.297	C	S	.	.	S	Bend	trans	-81	3.1	-170.2	33.5	-36.5	0	0	0	113.7	H552 R553 V554	P540-H552 VanDerWaalsContact CB-CE1 3.4Å; P540-H552 WeakPolarHBondContact CB-CE1 3.18Å; P540-H552 WeakPolarHBondContact CG-NE2 3.49Å; P540-H552 CarbonylContact O-C 3.57Å; P540-H552 WeakPolarHBondContact O-CA 3.49Å; P540-R553 WeakPolarHBondContact O-CB 3.47Å; P540-R553 WeakPolarHBondContact O-CG 3.27Å; P540-R553 PolarHBondContact O-N 3.15Å; P540-V554 HydrophobicContact CB-CG2 4.06Å
541	W	98.1	Very high	96.4	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.1	-171.8	-59.9	100.2	0	0	0	112.8	L507 G511 L513 V520 A522 I527 G539 L550 H552 R553 M559 L570	L507-W541 HydrophobicContact CD1-CB 3.98Å; G511-W541 WeakPolarHBondContact CA-O 3.45Å; G511-W541 WeakPolarHBondContact O-CA 3.37Å; G511-W541 VanDerWaalsContact O-CB 3.31Å; G511-W541 WeakPolarHBondContact O-CB 3.13Å; G511-W541 PolarHBondContact O-N 2.88Å; L513-W541 HydrophobicContact CB-CB 4.33Å; L513-W541 HydrophobicContact CB-CG 3.83Å; L513-W541 HydrophobicContact CD2-CD2 4.43Å; L513-W541 HydrophobicContact CD2-CG 4.49Å; V520-W541 HydrophobicContact CG1-CZ2 4.38Å; V520-W541 PolarHBondContact O-NE1 3.1Å; A522-W541 HydrophobicContact CB-CH2 3.9Å; A522-W541 HydrophobicContact CB-CZ2 3.9Å; I527-W541 HydrophobicContact CD1-CH2 3.84Å; I527-W541 HydrophobicContact CD1-CZ2 4.49Å; G539-W541 PolarHBondContact O-N 3.16Å; W541-L550 HydrophobicContact CE3-CB 4.43Å; W541-H552 HydrophobicContact CE3-CB 4.42Å; W541-H552 HydrophobicContact CH2-CB 4.49Å; W541-H552 AromaticContact CH2-CD2 3.94Å; W541-H552 AromaticContact CZ2-CD2 3.9Å; W541-H552 HydrophobicContact CZ3-CB 4.11Å; W541-R553 PolarHBondContact O-NH1 3.27Å; W541-M559 HydrophobicContact CE3-CE 4.38Å; W541-M559 HydrophobicContact CH2-CE 3.53Å; W541-M559 HydrophobicContact CZ2-CE 4.09Å; W541-M559 HydrophobicContact CZ3-CB 4.18Å; W541-M559 HydrophobicContact CZ3-CE 3.7Å; W541-L570 HydrophobicContact CH2-CD2 4.21Å; W541-L570 HydrophobicContact CZ3-CD2 4.39Å
542	Q	97.7	Very high	96.5	Very high	99 Å²	99	55.8 Å²	55.8	46%	0.463	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.8	171.2	-177.1	177.3	10.5	0	0	108.3	M551 R553	Q542-M551 PolarHBondContact N-O 3.47Å; Q542-M551 PolarHBondContact O-N 3.41Å; Q542-R553 HydrophobicContact CB-CG 4.06Å
543	Y	98.1	Very high	96.4	Very high	34 Å²	34	59.3 Å²	59.3	13%	0.133	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.8	174.8	-178.3	-119	0	0	0	110	H467 L507 E545 H549 L550 W582 F584	H467-Y543 AromaticContact CD2-CD1 3.67Å; H467-Y543 AromaticContact CE1-CD1 3.97Å; H467-Y543 AromaticContact NE2-CD1 3.49Å; H467-Y543 WeakPolarHBondContact NE2-CD1 3.45Å; L507-Y543 VanDerWaalsContact CD2-CB 3.46Å; Y543-E545 HydrophobicContact CD1-CG 4.19Å; Y543-E545 HydrophobicContact CE1-CB 4.46Å; Y543-E545 HydrophobicContact CE1-CG 3.86Å; Y543-H549 WeakPolarHBondContact CA-O 3.49Å; Y543-H549 WeakPolarHBondContact CD2-O 3.46Å; Y543-L550 HydrophobicContact CD2-CD2 3.92Å; Y543-L550 HydrophobicContact CD2-CG 3.89Å; Y543-L550 HydrophobicContact CG-CD2 4.22Å; Y543-W582 WeakPolarHBondContact CE2-O 3.04Å; Y543-W582 PolarHBondContact OH-O 3.05Å; Y543-F584 HydrophobicContact CD1-CD2 4.24Å; Y543-F584 HydrophobicContact CD1-CE2 4.2Å; Y543-F584 HydrophobicContact CD2-CE2 4.3Å; Y543-F584 HydrophobicContact CE1-CD2 4.13Å; Y543-F584 HydrophobicContact CE1-CE2 4.49Å; Y543-F584 HydrophobicContact CG-CE2 4.09Å
544	N	96.6	Very high	96.4	Very high	69 Å²	69	57.8 Å²	57.8	37%	0.369	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.5	172.4	-177.4	-36.6	0	0	0	108.8	H546 T547 K548 H549	N544-H546 VanDerWaalsContact C-N 3.28Å; N544-H546 PolarHBondContact O-N 2.86Å; N544-H546 WeakPolarHBondContact OD1-CB 3.22Å; N544-H546 PolarHBondContact OD1-N 3.23Å; N544-T547 WeakPolarHBondContact CB-OG1 3.31Å; N544-T547 PolarHBondContact OD1-N 3.47Å; N544-T547 VanDerWaalsContact OD1-N 3.16Å; N544-T547 PolarHBondContact OD1-OG1 2.77Å; N544-K548 WeakPolarHBondContact O-CA 3.45Å; N544-K548 PolarHBondContact O-N 3.4Å; N544-H549 PolarHBondContact N-O 2.91Å
545	E	93.3	Very high	96.4	Very high	123 Å²	123	57.4 Å²	57.4	58%	0.575	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-31.5	-177.7	-66	-177.7	179.3	0	0	113.9	H467 Y543	H467-E545 IonicContact CE1-OE1 2.91Å; H467-E545 PolarHBondContact CE1-OE1 2.77Å; H467-E545 IonicContact NE2-OE1 3.4Å; Y543-E545 HydrophobicContact CD1-CG 4.19Å; Y543-E545 HydrophobicContact CE1-CB 4.46Å; Y543-E545 HydrophobicContact CE1-CG 3.86Å
546	H	94.4	Very high	96.3	Very high	177 Å²	177	63.7 Å²	63.7	82%	0.819	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-48.2	-176.2	-59.9	84.1	0	0	0	111.1	N544	N544-H546 VanDerWaalsContact C-N 3.28Å; N544-H546 PolarHBondContact O-N 2.86Å; N544-H546 WeakPolarHBondContact OD1-CB 3.22Å; N544-H546 PolarHBondContact OD1-N 3.23Å
547	T	96.2	Very high	96.3	Very high	40 Å²	40	65 Å²	65	25%	0.245	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.2	179.6	60.4	0	0	0	0	113	N544 H549 V575	N544-T547 WeakPolarHBondContact CB-OG1 3.31Å; N544-T547 PolarHBondContact OD1-N 3.47Å; N544-T547 VanDerWaalsContact OD1-N 3.16Å; N544-T547 PolarHBondContact OD1-OG1 2.77Å; T547-H549 PolarHBondContact O-N 3.35Å; T547-V575 HydrophobicContact CG2-CG1 3.99Å
548	K	97.1	Very high	96.3	Very high	78 Å²	78	63.7 Å²	63.7	34%	0.339	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	20.1	-177	-67.3	-171	-179	-168.5	0	114.5	V474 N544 Q581 W582	V474-K548 HydrophobicContact CG2-CD 3.93Å; N544-K548 WeakPolarHBondContact O-CA 3.45Å; N544-K548 PolarHBondContact O-N 3.4Å; K548-Q581 HydrophobicContact CB-CB 3.85Å; K548-Q581 HydrophobicContact CB-CG 4.08Å; K548-Q581 CarbonylContact O-C 3.51Å; K548-Q581 WeakPolarHBondContact O-CA 3.38Å; K548-W582 VanDerWaalsContact CB-O 3.28Å; K548-W582 WeakPolarHBondContact CB-O 3.12Å; K548-W582 PolarHBondContact O-N 2.93Å
549	H	97.2	Very high	96.4	Very high	12 Å²	12	60.2 Å²	60.2	6%	0.056	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	140.4	180	-70	160.8	0	0	0	113.2	Y543 N544 T547 D574 V575 Q580	Y543-H549 WeakPolarHBondContact CA-O 3.49Å; Y543-H549 WeakPolarHBondContact CD2-O 3.46Å; N544-H549 PolarHBondContact N-O 2.91Å; T547-H549 PolarHBondContact O-N 3.35Å; H549-D574 PolarHBondContact CE1-O 2.88Å; H549-D574 VanDerWaalsContact CE1-O 3.3Å; H549-D574 PolarHBondContact NE2-O 2.94Å; H549-V575 WeakPolarHBondContact CE1-CA 3.39Å; H549-V575 PolarHBondContact CE1-N 3.33Å; H549-Q580 PolarHBondContact CD2-O 3.18Å; H549-Q580 VanDerWaalsContact CD2-O 3.29Å
550	L	97.6	Very high	96.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	97.2	161.8	-84.3	169.5	0	0	0	109.6	L471 L507 W541 Y543 C558 M559 W582	L471-L550 HydrophobicContact CD1-CD1 3.76Å; L471-L550 HydrophobicContact CD2-CD1 3.42Å; L471-L550 VanDerWaalsContact CD2-CD1 3.42Å; L471-L550 HydrophobicContact CG-CD1 4.17Å; L507-L550 HydrophobicContact CD2-CD2 4.34Å; W541-L550 HydrophobicContact CE3-CB 4.43Å; Y543-L550 HydrophobicContact CD2-CD2 3.92Å; Y543-L550 HydrophobicContact CD2-CG 3.89Å; Y543-L550 HydrophobicContact CG-CD2 4.22Å; L550-C558 CarbonylContact O-C 3.58Å; L550-C558 WeakPolarHBondContact O-CA 3.38Å; L550-M559 HydrophobicContact CB-CB 4.06Å; L550-M559 HydrophobicContact CD1-CE 4.33Å; L550-M559 HydrophobicContact CD1-SD 4.24Å; L550-M559 PolarHBondContact O-N 3.18Å; L550-W582 HydrophobicContact CD1-CB 4.21Å; L550-W582 HydrophobicContact CD1-CG 4.07Å
551	M	97.2	Very high	96.4	Very high	61 Å²	61	60.1 Å²	60.1	30%	0.3	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.6	179.3	-173.4	-179.3	65.7	0	0	111.2	Q542 R553	Q542-M551 PolarHBondContact N-O 3.47Å; Q542-M551 PolarHBondContact O-N 3.41Å; M551-R553 HydrophobicContact CE-CG 4.34Å
552	H	97.3	Very high	96.3	Very high	6 Å²	6	64.4 Å²	64.4	3%	0.028	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	103.1	168.9	-167.5	-68.6	0	0	0	110	P540 W541 V554 H555 K556 K557 L570	P540-H552 VanDerWaalsContact CB-CE1 3.4Å; P540-H552 WeakPolarHBondContact CB-CE1 3.18Å; P540-H552 WeakPolarHBondContact CG-NE2 3.49Å; P540-H552 CarbonylContact O-C 3.57Å; P540-H552 WeakPolarHBondContact O-CA 3.49Å; W541-H552 HydrophobicContact CE3-CB 4.42Å; W541-H552 HydrophobicContact CH2-CB 4.49Å; W541-H552 AromaticContact CH2-CD2 3.94Å; W541-H552 AromaticContact CZ2-CD2 3.9Å; W541-H552 HydrophobicContact CZ3-CB 4.11Å; H552-V554 VanDerWaalsContact C-N 3.28Å; H552-V554 PolarHBondContact O-N 3.41Å; H552-V554 VanDerWaalsContact O-N 3.16Å; H552-H555 AromaticContact CE1-CD2 3.32Å; H552-H555 PolarHBondContact CE1-CD2 2.87Å; H552-H555 AromaticContact CE1-NE2 3.96Å; H552-H555 AromaticContact ND1-CD2 3.43Å; H552-H555 PolarHBondContact ND1-CD2 2.87Å; H552-H555 AromaticContact ND1-CG 3.9Å; H552-H555 PolarHBondContact ND1-N 2.9Å; H552-H555 AromaticContact NE2-CD2 3.86Å; H552-H555 PolarHBondContact O-N 3.4Å; H552-K556 WeakPolarHBondContact O-CA 3.36Å; H552-K556 PolarHBondContact O-N 3.32Å; H552-K557 PolarHBondContact N-O 3.43Å; H552-L570 HydrophobicContact CB-CD1 4.27Å; H552-L570 HydrophobicContact CB-CD2 3.9Å
553	R	95.5	Very high	96	Very high	99 Å²	99	63 Å²	63	37%	0.374	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.8	-171.5	-63.4	-165.2	-54	-83.3	3.9	113.8	G539 P540 W541 Q542 M551	G539-R553 PolarHBondContact O-NH1 3.16Å; G539-R553 PolarHBondContact O-NH2 2.96Å; P540-R553 WeakPolarHBondContact O-CB 3.47Å; P540-R553 WeakPolarHBondContact O-CG 3.27Å; P540-R553 PolarHBondContact O-N 3.15Å; W541-R553 PolarHBondContact O-NH1 3.27Å; Q542-R553 HydrophobicContact CB-CG 4.06Å; M551-R553 HydrophobicContact CE-CG 4.34Å
554	V	94.6	Very high	95.7	Very high	111 Å²	111	65.5 Å²	65.5	67%	0.673	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-44.4	-179.1	-179.3	0	0	0	0	112.2	P540 H552	P540-V554 HydrophobicContact CB-CG2 4.06Å; H552-V554 VanDerWaalsContact C-N 3.28Å; H552-V554 PolarHBondContact O-N 3.41Å; H552-V554 VanDerWaalsContact O-N 3.16Å
555	H	94.5	Very high	95.4	Very high	96 Å²	96	66.5 Å²	66.5	44%	0.444	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-12.5	-177.6	-69.2	-52.4	0	0	0	113	H552 K557 L570	H552-H555 AromaticContact CE1-CD2 3.32Å; H552-H555 PolarHBondContact CE1-CD2 2.87Å; H552-H555 AromaticContact CE1-NE2 3.96Å; H552-H555 AromaticContact ND1-CD2 3.43Å; H552-H555 PolarHBondContact ND1-CD2 2.87Å; H552-H555 AromaticContact ND1-CG 3.9Å; H552-H555 PolarHBondContact ND1-N 2.9Å; H552-H555 AromaticContact NE2-CD2 3.86Å; H552-H555 PolarHBondContact O-N 3.4Å; H555-K557 HydrophobicContact CB-CB 4.36Å; H555-K557 PolarHBondContact O-N 2.84Å; H555-L570 HydrophobicContact CB-CD1 3.98Å
556	K	94.8	Very high	95.3	Very high	168 Å²	168	64.1 Å²	64.1	73%	0.73	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	41.9	-175.3	-56.8	-178.9	179.5	-179.6	0	112	H552	H552-K556 WeakPolarHBondContact O-CA 3.36Å; H552-K556 PolarHBondContact O-N 3.32Å
557	K	96.5	Very high	95.3	Very high	71 Å²	71	60.4 Å²	60.4	31%	0.309	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.4	-177.5	-77.4	-172.4	176	-167.5	0	109.9	H552 H555 L570 G571	H552-K557 PolarHBondContact N-O 3.43Å; H555-K557 HydrophobicContact CB-CB 4.36Å; H555-K557 PolarHBondContact O-N 2.84Å; K557-L570 HydrophobicContact CB-CB 3.88Å; K557-L570 HydrophobicContact CB-CD2 4.41Å; K557-L570 HydrophobicContact CD-CB 4.04Å; K557-G571 CarbonylContact C-O 3.59Å; K557-G571 VanDerWaalsContact CA-O 3.26Å; K557-G571 WeakPolarHBondContact CA-O 3.35Å; K557-G571 WeakPolarHBondContact CB-O 3.47Å; K557-G571 WeakPolarHBondContact CG-O 3.26Å
558	C	97.2	Very high	95.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.2	-179.2	-71.8	0	0	0	0	110.7	L550 A560 L570 G571 C573	L550-C558 CarbonylContact O-C 3.58Å; L550-C558 WeakPolarHBondContact O-CA 3.38Å; C558-A560 PolarHBondContact O-N 2.83Å; C558-L570 WeakPolarHBondContact O-CA 3.37Å; C558-G571 PolarHBondContact N-O 3.03Å; C558-G571 PolarHBondContact O-N 3.36Å; C558-C573 HydrophobicContact CB-CB 3.97Å; C558-C573 WeakPolarHBondContact CB-SG 3.4Å; C558-C573 PolarHBondContact N-SG 2.91Å; C558-C573 WeakPolarHBondContact SG-CB 3.45Å; C558-C573 CovalentContact SG-SG 2.05Å; C558-C573 PolarHBondContact SG-SG 2.76Å
559	M	97.8	Very high	95.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	121.1	170.3	-176	179.9	-63.7	0	0	108.9	L513 I527 W541 L550 W582	L513-M559 HydrophobicContact CD2-CE 4.26Å; I527-M559 HydrophobicContact CD1-CE 4.28Å; I527-M559 HydrophobicContact CD1-CG 4.28Å; I527-M559 HydrophobicContact CG1-CE 4.23Å; I527-M559 HydrophobicContact CG1-CG 4.05Å; I527-M559 HydrophobicContact CG1-SD 4.49Å; I527-M559 HydrophobicContact CG2-CE 3.85Å; W541-M559 HydrophobicContact CE3-CE 4.38Å; W541-M559 HydrophobicContact CH2-CE 3.53Å; W541-M559 HydrophobicContact CZ2-CE 4.09Å; W541-M559 HydrophobicContact CZ3-CB 4.18Å; W541-M559 HydrophobicContact CZ3-CE 3.7Å; L550-M559 HydrophobicContact CB-CB 4.06Å; L550-M559 HydrophobicContact CD1-CE 4.33Å; L550-M559 HydrophobicContact CD1-SD 4.24Å; L550-M559 PolarHBondContact O-N 3.18Å; M559-W582 HydrophobicContact CG-CZ2 3.75Å; M559-W582 PolarHBondContact O-NE1 2.87Å; M559-W582 HydrophobicContact SD-CD2 4.43Å; M559-W582 HydrophobicContact SD-CH2 4.37Å; M559-W582 HydrophobicContact SD-CZ2 3.98Å
560	A	96.6	Very high	95.2	Very high	11 Å²	11	57.8 Å²	57.8	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.4	-175.6	0	0	0	0	0	110.3	C558 L568 S569 Q580	C558-A560 PolarHBondContact O-N 2.83Å; A560-L568 WeakPolarHBondContact O-CA 3.49Å; A560-S569 PolarHBondContact N-O 3.41Å; A560-S569 PolarHBondContact O-N 2.74Å; A560-Q580 HydrophobicContact CB-CG 3.78Å
561	L	96.7	Very high	95.1	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123	172.7	-178.5	68.9	0	0	0	109.2	L493 P563 Q566 L568 Y579 W582	L493-L561 HydrophobicContact CB-CD1 4.33Å; L493-L561 HydrophobicContact CD2-CD1 4.08Å; L493-L561 HydrophobicContact CD2-CD2 3.65Å; L561-P563 WeakPolarHBondContact O-CD 3.28Å; L561-Q566 HydrophobicContact CD1-CB 4.26Å; L561-Q566 WeakPolarHBondContact CD1-O 3.39Å; L561-L568 HydrophobicContact CB-CD2 4.38Å; L561-L568 HydrophobicContact CD1-CD2 3.79Å; L561-L568 HydrophobicContact CD1-CG 4.4Å; L561-Y579 HydrophobicContact CB-CD1 4.39Å; L561-Y579 WeakPolarHBondContact CB-O 3.38Å; L561-Y579 HydrophobicContact CD2-CD1 4.23Å; L561-Y579 HydrophobicContact CG-CD1 4.4Å; L561-Y579 PolarHBondContact N-O 3Å; L561-Y579 WeakPolarHBondContact O-CB 3.47Å; L561-W582 HydrophobicContact CB-CH2 4.23Å; L561-W582 HydrophobicContact CB-CZ2 4.31Å
562	H	94.9	Very high	94.9	Very high	92 Å²	92	62.7 Å²	62.7	43%	0.426	33%	0.332	S	S	.	.			trans	-69.1	126.2	177.4	-173.2	-65.7	0	0	0	110.6	A564 T565 Q566 Q567	H562-A564 PolarHBondContact ND1-N 3.3Å; H562-A564 VanDerWaalsContact ND1-N 3.15Å; H562-A564 PolarHBondContact O-N 3.15Å; H562-T565 VanDerWaalsContact CB-OG1 3.31Å; H562-T565 WeakPolarHBondContact CB-OG1 3.45Å; H562-T565 VanDerWaalsContact CG-OG1 3.25Å; H562-T565 PolarHBondContact ND1-N 3.39Å; H562-T565 PolarHBondContact ND1-OG1 2.97Å; H562-Q566 VanDerWaalsContact O-CA 3.22Å; H562-Q566 WeakPolarHBondContact O-CA 3.43Å; H562-Q566 PolarHBondContact O-N 3.06Å; H562-Q567 PolarHBondContact N-O 3Å
563	P	92.1	Very high	94.9	Very high	70 Å²	70	65.1 Å²	65.1	46%	0.455	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-45.7	-173.7	-27.7	34.1	0	0	0	114.9	L561 Q566 Y579	L561-P563 WeakPolarHBondContact O-CD 3.28Å; P563-Q566 PolarHBondContact O-NE2 2.82Å; P563-Q566 VanDerWaalsContact O-NE2 3.1Å; P563-Y579 VanDerWaalsContact CA-CE1 3.49Å; P563-Y579 HydrophobicContact CB-CD1 4.16Å; P563-Y579 HydrophobicContact CB-CE1 3.71Å; P563-Y579 HydrophobicContact CB-CE2 4.15Å; P563-Y579 HydrophobicContact CG-CD1 3.93Å; P563-Y579 HydrophobicContact CG-CD2 3.99Å; P563-Y579 HydrophobicContact CG-CE1 3.97Å; P563-Y579 HydrophobicContact CG-CE2 4.02Å; P563-Y579 HydrophobicContact CG-CG 3.95Å
564	A	91.4	Very high	94.9	Very high	87 Å²	87	64 Å²	64	72%	0.719	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-49.9	-178.3	0	0	0	0	0	114.1	H562	H562-A564 PolarHBondContact ND1-N 3.3Å; H562-A564 VanDerWaalsContact ND1-N 3.15Å; H562-A564 PolarHBondContact O-N 3.15Å
565	T	91.6	Very high	94.7	Very high	90 Å²	90	62.4 Å²	62.4	55%	0.552	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-11.8	-174.6	61.7	0	0	0	0	114.2	H562 Q567	H562-T565 VanDerWaalsContact CB-OG1 3.31Å; H562-T565 WeakPolarHBondContact CB-OG1 3.45Å; H562-T565 VanDerWaalsContact CG-OG1 3.25Å; H562-T565 PolarHBondContact ND1-N 3.39Å; H562-T565 PolarHBondContact ND1-OG1 2.97Å; T565-Q567 PolarHBondContact O-N 2.91Å; T565-Q567 VanDerWaalsContact O-N 3.09Å; T565-Q567 PolarHBondContact OG1-N 3.23Å
566	Q	90.2	Very high	94.6	Very high	72 Å²	72	64.5 Å²	64.5	34%	0.336	36%	0.355	S	S	.	.			trans	56.8	18.9	-173.2	-59.1	-73.8	-55.3	0	0	113.7	L561 H562 P563	L561-Q566 HydrophobicContact CD1-CB 4.26Å; L561-Q566 WeakPolarHBondContact CD1-O 3.39Å; H562-Q566 VanDerWaalsContact O-CA 3.22Å; H562-Q566 WeakPolarHBondContact O-CA 3.43Å; H562-Q566 PolarHBondContact O-N 3.06Å; P563-Q566 PolarHBondContact O-NE2 2.82Å; P563-Q566 VanDerWaalsContact O-NE2 3.1Å
567	Q	93.5	Very high	94.7	Very high	99 Å²	99	58.7 Å²	58.7	46%	0.463	33%	0.332	S	S	.	.			trans	-78.1	136	177.3	-173.3	177.5	-0.7	0	0	110.8	H562 T565	H562-Q567 PolarHBondContact N-O 3Å; T565-Q567 PolarHBondContact O-N 2.91Å; T565-Q567 VanDerWaalsContact O-N 3.09Å; T565-Q567 PolarHBondContact OG1-N 3.23Å
568	L	97	Very high	94.6	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.4	176.4	-64.6	170.1	0	0	0	111.6	L480 M491 G526 I527 A560 L561 W582	L480-L568 HydrophobicContact CD1-CD1 3.23Å; M491-L568 HydrophobicContact CB-CD1 4.26Å; G526-L568 WeakPolarHBondContact CA-O 3.42Å; I527-L568 HydrophobicContact CB-CB 3.86Å; I527-L568 HydrophobicContact CB-CD1 4.46Å; I527-L568 HydrophobicContact CG1-CB 3.67Å; I527-L568 PolarHBondContact N-O 2.85Å; A560-L568 WeakPolarHBondContact O-CA 3.49Å; L561-L568 HydrophobicContact CB-CD2 4.38Å; L561-L568 HydrophobicContact CD1-CD2 3.79Å; L561-L568 HydrophobicContact CD1-CG 4.4Å; L568-W582 HydrophobicContact CD2-CH2 3.46Å; L568-W582 VanDerWaalsContact CD2-CH2 3.46Å; L568-W582 HydrophobicContact CD2-CZ2 3.95Å; L568-W582 HydrophobicContact CD2-CZ3 4.48Å
569	S	96.3	Very high	94.6	Very high	49 Å²	49	60.7 Å²	60.7	34%	0.343	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	178.1	178.5	63.7	0	0	0	0	112.2	A560	A560-S569 PolarHBondContact N-O 3.41Å; A560-S569 PolarHBondContact O-N 2.74Å
570	L	96.7	Very high	94.6	Very high	25 Å²	25	61.3 Å²	61.3	13%	0.131	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.3	172.1	-72.4	-178.7	0	0	0	111.1	A522 I527 W541 H552 H555 K557 C558	A522-L570 HydrophobicContact CB-CD1 3.62Å; A522-L570 HydrophobicContact CB-CD2 4.12Å; A522-L570 HydrophobicContact CB-CG 3.84Å; I527-L570 HydrophobicContact CD1-CD2 4.07Å; I527-L570 HydrophobicContact CD1-CG 4.22Å; W541-L570 HydrophobicContact CH2-CD2 4.21Å; W541-L570 HydrophobicContact CZ3-CD2 4.39Å; H552-L570 HydrophobicContact CB-CD1 4.27Å; H552-L570 HydrophobicContact CB-CD2 3.9Å; H555-L570 HydrophobicContact CB-CD1 3.98Å; K557-L570 HydrophobicContact CB-CB 3.88Å; K557-L570 HydrophobicContact CB-CD2 4.41Å; K557-L570 HydrophobicContact CD-CB 4.04Å; C558-L570 WeakPolarHBondContact O-CA 3.37Å
571	G	93.9	Very high	94.6	Very high	17 Å²	17	62.6 Å²	62.6	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	166.6	178.1	0	0	0	0	0	113.6	K557 C558 C573	K557-G571 CarbonylContact C-O 3.59Å; K557-G571 VanDerWaalsContact CA-O 3.26Å; K557-G571 WeakPolarHBondContact CA-O 3.35Å; K557-G571 WeakPolarHBondContact CB-O 3.47Å; K557-G571 WeakPolarHBondContact CG-O 3.26Å; C558-G571 PolarHBondContact N-O 3.03Å; C558-G571 PolarHBondContact O-N 3.36Å; G571-C573 PolarHBondContact O-N 3.41Å
572	H	95.1	Very high	94.7	Very high	147 Å²	147	62.5 Å²	62.5	68%	0.681	35%	0.351	S	S	*	.			trans	-66.5	127.5	166.3	-74.3	-80.8	0	0	0	108.9	D574 Q580	H572-D574 PolarHBondContact O-N 2.88Å; H572-Q580 PolarHBondContact O-NE2 3.16Å; H572-Q580 VanDerWaalsContact O-NE2 3.12Å; H572-Q580 PolarHBondContact O-OE1 3.49Å
573	C	95.9	Very high	94.8	Very high	56 Å²	56	61.9 Å²	61.9	38%	0.378	35%	0.345	S	S	.	.			trans	-60.7	118.6	-176.1	-62.3	0	0	0	0	111.2	C558 G571 Q580	C558-C573 HydrophobicContact CB-CB 3.97Å; C558-C573 WeakPolarHBondContact CB-SG 3.4Å; C558-C573 PolarHBondContact N-SG 2.91Å; C558-C573 WeakPolarHBondContact SG-CB 3.45Å; C558-C573 CovalentContact SG-SG 2.05Å; C558-C573 PolarHBondContact SG-SG 2.76Å; G571-C573 PolarHBondContact O-N 3.41Å; C573-Q580 VanDerWaalsContact CA-OE1 3.29Å
574	D	96	Very high	95	Very high	75 Å²	75	59.9 Å²	59.9	40%	0.401	33%	0.329	S	S	.	.			trans	-123.7	112.5	174	-176.8	-10.2	0	0	0	110	H549 H572 N576 D577 Q580	H549-D574 PolarHBondContact CE1-O 2.88Å; H549-D574 VanDerWaalsContact CE1-O 3.3Å; H549-D574 PolarHBondContact NE2-O 2.94Å; H572-D574 PolarHBondContact O-N 2.88Å; D574-N576 PolarHBondContact O-N 2.94Å; D574-N576 VanDerWaalsContact O-N 3.15Å; D574-N576 PolarHBondContact OD1-N 3.29Å; D574-D577 HydrophobicContact CB-CB 3.87Å; D574-D577 PolarHBondContact O-N 3Å; D574-D577 VanDerWaalsContact O-N 3.07Å; D574-Q580 VanDerWaalsContact N-OE1 3.13Å
575	V	90.5	Very high	95.3	Very high	78 Å²	78	60 Å²	60	47%	0.473	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.9	-175.1	-64.9	0	0	0	0	113.8	T547 H549 Q581	T547-V575 HydrophobicContact CG2-CG1 3.99Å; H549-V575 WeakPolarHBondContact CE1-CA 3.39Å; H549-V575 PolarHBondContact CE1-N 3.33Å; V575-Q581 PolarHBondContact O-NE2 3.33Å
576	N	93.2	Very high	95.4	Very high	141 Å²	141	59.9 Å²	59.9	75%	0.754	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.7	179.7	-60	-46	0	0	0	112.6	D574 S578	D574-N576 PolarHBondContact O-N 2.94Å; D574-N576 VanDerWaalsContact O-N 3.15Å; D574-N576 PolarHBondContact OD1-N 3.29Å; N576-S578 PolarHBondContact O-N 3.28Å
577	D	95.4	Very high	95.6	Very high	46 Å²	46	57 Å²	57	25%	0.246	29%	0.293	C	S	.	.			trans	-87.3	101.6	-178.1	-175.3	3.8	0	0	0	111.3	D574 Y579 Q580	D574-D577 HydrophobicContact CB-CB 3.87Å; D574-D577 PolarHBondContact O-N 3Å; D574-D577 VanDerWaalsContact O-N 3.07Å; D577-Y579 PolarHBondContact O-N 2.83Å; D577-Y579 WeakPolarHBondContact OD1-CB 3.13Å; D577-Y579 PolarHBondContact OD1-N 3.19Å; D577-Q580 HydrophobicContact CB-CB 4.47Å; D577-Q580 HydrophobicContact CB-CG 4.21Å; D577-Q580 PolarHBondContact O-N 3.16Å; D577-Q580 WeakPolarHBondContact OD2-CG 3.46Å; D577-Q580 PolarHBondContact OD2-NE2 2.05Å
578	S	95.6	Very high	95.2	Very high	44 Å²	44	61.5 Å²	61.5	31%	0.308	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-55.7	-23.7	176.4	64.1	0	0	0	0	114.2	A475 N576 Q580 Q581	A475-S578 WeakPolarHBondContact CB-O 3.3Å; A475-S578 PolarHBondContact N-O 3.47Å; N576-S578 PolarHBondContact O-N 3.28Å; S578-Q580 PolarHBondContact O-N 2.79Å; S578-Q581 PolarHBondContact O-N 2.78Å
579	Y	96.8	Very high	94.5	Very high	70 Å²	70	63 Å²	63	28%	0.275	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-76.9	-8.2	176.7	-71.3	-91	0	0	0	113.4	A475 L561 P563 D577	A475-Y579 HydrophobicContact CB-CD1 3.55Å; A475-Y579 HydrophobicContact CB-CD2 3.95Å; A475-Y579 HydrophobicContact CB-CE1 3.7Å; A475-Y579 HydrophobicContact CB-CE2 4.09Å; A475-Y579 HydrophobicContact CB-CG 3.67Å; L561-Y579 HydrophobicContact CB-CD1 4.39Å; L561-Y579 WeakPolarHBondContact CB-O 3.38Å; L561-Y579 HydrophobicContact CD2-CD1 4.23Å; L561-Y579 HydrophobicContact CG-CD1 4.4Å; L561-Y579 PolarHBondContact N-O 3Å; L561-Y579 WeakPolarHBondContact O-CB 3.47Å; P563-Y579 VanDerWaalsContact CA-CE1 3.49Å; P563-Y579 HydrophobicContact CB-CD1 4.16Å; P563-Y579 HydrophobicContact CB-CE1 3.71Å; P563-Y579 HydrophobicContact CB-CE2 4.15Å; P563-Y579 HydrophobicContact CG-CD1 3.93Å; P563-Y579 HydrophobicContact CG-CD2 3.99Å; P563-Y579 HydrophobicContact CG-CE1 3.97Å; P563-Y579 HydrophobicContact CG-CE2 4.02Å; P563-Y579 HydrophobicContact CG-CG 3.95Å; D577-Y579 PolarHBondContact O-N 2.83Å; D577-Y579 WeakPolarHBondContact OD1-CB 3.13Å; D577-Y579 PolarHBondContact OD1-N 3.19Å
580	Q	97.1	Very high	93.3	Very high	14 Å²	14	72.4 Å²	72.4	7%	0.065	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-104.8	-2.3	170.7	-61	-174.7	38.6	0	0	112.6	H549 A560 H572 C573 D574 D577 S578 W582	H549-Q580 PolarHBondContact CD2-O 3.18Å; H549-Q580 VanDerWaalsContact CD2-O 3.29Å; A560-Q580 HydrophobicContact CB-CG 3.78Å; H572-Q580 PolarHBondContact O-NE2 3.16Å; H572-Q580 VanDerWaalsContact O-NE2 3.12Å; H572-Q580 PolarHBondContact O-OE1 3.49Å; C573-Q580 VanDerWaalsContact CA-OE1 3.29Å; D574-Q580 VanDerWaalsContact N-OE1 3.13Å; D577-Q580 HydrophobicContact CB-CB 4.47Å; D577-Q580 HydrophobicContact CB-CG 4.21Å; D577-Q580 PolarHBondContact O-N 3.16Å; D577-Q580 WeakPolarHBondContact OD2-CG 3.46Å; D577-Q580 PolarHBondContact OD2-NE2 2.05Å; S578-Q580 PolarHBondContact O-N 2.79Å; Q580-W582 PolarHBondContact O-NE1 3.12Å
581	Q	98.1	Very high	91.9	Very high	38 Å²	38	76.8 Å²	76.8	18%	0.178	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-95.5	134.3	-178	-66.5	178.5	-1.3	0	0	111.5	V474 K548 V575 S578	V474-Q581 HydrophobicContact CB-CB 3.83Å; V474-Q581 HydrophobicContact CG1-CB 4.49Å; V474-Q581 HydrophobicContact CG2-CB 3.7Å; V474-Q581 WeakPolarHBondContact CG2-O 3.42Å; V474-Q581 PolarHBondContact N-O 3.38Å; K548-Q581 HydrophobicContact CB-CB 3.85Å; K548-Q581 HydrophobicContact CB-CG 4.08Å; K548-Q581 CarbonylContact O-C 3.51Å; K548-Q581 WeakPolarHBondContact O-CA 3.38Å; V575-Q581 PolarHBondContact O-NE2 3.33Å; S578-Q581 PolarHBondContact O-N 2.78Å
582	W	97.8	Very high	91.8	Very high	0 Å²	0	79.8 Å²	79.8	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.4	-175.2	-53.5	87.3	0	0	0	110.5	L471 R472 L493 Y543 K548 L550 M559 L561 L568 Q580	L471-W582 HydrophobicContact CD1-CB 3.82Å; L471-W582 HydrophobicContact CG-CE3 4.15Å; R472-W582 CarbonylContact O-C 3.56Å; R472-W582 VanDerWaalsContact O-CA 3.23Å; R472-W582 WeakPolarHBondContact O-CA 3.44Å; L493-W582 HydrophobicContact CD1-CH2 4.33Å; L493-W582 HydrophobicContact CD1-CZ3 3.92Å; Y543-W582 WeakPolarHBondContact CE2-O 3.04Å; Y543-W582 PolarHBondContact OH-O 3.05Å; K548-W582 VanDerWaalsContact CB-O 3.28Å; K548-W582 WeakPolarHBondContact CB-O 3.12Å; K548-W582 PolarHBondContact O-N 2.93Å; L550-W582 HydrophobicContact CD1-CB 4.21Å; L550-W582 HydrophobicContact CD1-CG 4.07Å; M559-W582 HydrophobicContact CG-CZ2 3.75Å; M559-W582 PolarHBondContact O-NE1 2.87Å; M559-W582 HydrophobicContact SD-CD2 4.43Å; M559-W582 HydrophobicContact SD-CH2 4.37Å; M559-W582 HydrophobicContact SD-CZ2 3.98Å; L561-W582 HydrophobicContact CB-CH2 4.23Å; L561-W582 HydrophobicContact CB-CZ2 4.31Å; L568-W582 HydrophobicContact CD2-CH2 3.46Å; L568-W582 VanDerWaalsContact CD2-CH2 3.46Å; L568-W582 HydrophobicContact CD2-CZ2 3.95Å; L568-W582 HydrophobicContact CD2-CZ3 4.48Å; Q580-W582 PolarHBondContact O-NE1 3.12Å
583	W	96.9	Very high	91.6	Very high	80 Å²	80	76.2 Å²	76.2	30%	0.303	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	150.2	168.3	64.6	-75.2	0	0	0	111	R472 K585	R472-W583 HydrophobicContact CB-CD2 4.27Å; R472-W583 HydrophobicContact CB-CG 4.41Å; R472-W583 HydrophobicContact CB-CZ2 4.2Å; R472-W583 HydrophobicContact CG-CZ2 4.33Å; R472-W583 PolarHBondContact N-O 3.08Å; R472-W583 PolarHBondContact O-N 3.49Å; W583-K585 HydrophobicContact CE3-CB 4.08Å; W583-K585 HydrophobicContact CH2-CB 3.78Å; W583-K585 HydrophobicContact CH2-CD 3.86Å; W583-K585 HydrophobicContact CH2-CG 3.96Å; W583-K585 HydrophobicContact CZ3-CB 3.4Å; W583-K585 VanDerWaalsContact CZ3-CB 3.4Å; W583-K585 HydrophobicContact CZ3-CD 4.22Å; W583-K585 HydrophobicContact CZ3-CG 3.77Å
584	F	97.3	Very high	91.4	Very high	27 Å²	27	77.3 Å²	77.3	12%	0.118	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.1	176.5	-71.9	-93.7	0	0	0	110	H467 E470 L471 V505 L507 L513 Y543	H467-F584 HydrophobicContact CB-CB 4.04Å; H467-F584 HydrophobicContact CB-CD1 3.86Å; H467-F584 HydrophobicContact CB-CD2 3.51Å; H467-F584 HydrophobicContact CB-CE1 4.12Å; H467-F584 HydrophobicContact CB-CE2 3.81Å; H467-F584 HydrophobicContact CB-CG 3.53Å; H467-F584 HydrophobicContact CB-CZ 4.09Å; H467-F584 AromaticContact CG-CD2 3.84Å; E470-F584 WeakPolarHBondContact O-CA 3.42Å; L471-F584 HydrophobicContact CB-CD1 4.42Å; L471-F584 HydrophobicContact CB-CE1 4.2Å; L471-F584 HydrophobicContact CD1-CD1 4.19Å; L471-F584 HydrophobicContact CD1-CD2 3.99Å; L471-F584 HydrophobicContact CD1-CE1 3.94Å; L471-F584 HydrophobicContact CD1-CE2 3.72Å; L471-F584 HydrophobicContact CD1-CG 4.22Å; L471-F584 HydrophobicContact CD1-CZ 3.7Å; V505-F584 HydrophobicContact CB-CE1 4.39Å; V505-F584 HydrophobicContact CG1-CE1 4.11Å; L507-F584 HydrophobicContact CB-CZ 3.98Å; L507-F584 HydrophobicContact CD2-CE2 4.5Å; L513-F584 HydrophobicContact CD1-CE1 4.41Å; L513-F584 HydrophobicContact CD1-CZ 3.99Å; Y543-F584 HydrophobicContact CD1-CD2 4.24Å; Y543-F584 HydrophobicContact CD1-CE2 4.2Å; Y543-F584 HydrophobicContact CD2-CE2 4.3Å; Y543-F584 HydrophobicContact CE1-CD2 4.13Å; Y543-F584 HydrophobicContact CE1-CE2 4.49Å; Y543-F584 HydrophobicContact CG-CE2 4.09Å
585	K	95.9	Very high	91.1	Very high	89 Å²	89	77.5 Å²	77.5	39%	0.387	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.3	167.6	-170.8	-178	178.7	179	0	109.1	G469 E470 R472 W583 I587	G469-K585 CarbonylContact C-O 3.57Å; G469-K585 WeakPolarHBondContact CA-O 3.48Å; E470-K585 HydrophobicContact CB-CB 4.3Å; E470-K585 PolarHBondContact N-O 3.07Å; E470-K585 PolarHBondContact O-N 3.22Å; R472-K585 VanDerWaalsContact CZ-CD 3.48Å; R472-K585 VanDerWaalsContact NE-CD 3.34Å; R472-K585 VanDerWaalsContact NH2-NZ 3.13Å; W583-K585 HydrophobicContact CE3-CB 4.08Å; W583-K585 HydrophobicContact CH2-CB 3.78Å; W583-K585 HydrophobicContact CH2-CD 3.86Å; W583-K585 HydrophobicContact CH2-CG 3.96Å; W583-K585 HydrophobicContact CZ3-CB 3.4Å; W583-K585 VanDerWaalsContact CZ3-CB 3.4Å; W583-K585 HydrophobicContact CZ3-CD 4.22Å; W583-K585 HydrophobicContact CZ3-CG 3.77Å; K585-I587 PolarHBondContact O-N 3.15Å
586	E	95.4	Very high	91.1	Very high	89 Å²	89	77.4 Å²	77.4	42%	0.416	34%	0.339	S	S	.	.			trans	-60	130.7	173.9	-165.6	-178.2	139.6	0	0	110.1	Y423 W468	Y423-E586 PolarHBondContact OH-OE1 2.98Å; W468-E586 HydrophobicContact CD2-CG 4.19Å; W468-E586 HydrophobicContact CE3-CG 4.28Å; W468-E586 HydrophobicContact CH2-CG 3.44Å; W468-E586 VanDerWaalsContact CH2-CG 3.44Å; W468-E586 HydrophobicContact CZ2-CG 3.34Å; W468-E586 WeakPolarHBondContact CZ2-OE1 3.16Å; W468-E586 HydrophobicContact CZ3-CG 3.94Å
587	I	92.5	Very high	91	Very high	10 Å²	10	73.2 Å²	73.2	5%	0.051	31%	0.311	C	S	.	.			trans	-85.9	118.5	-179.5	-58.8	176.7	0	0	0	108.3	L420 E470 G498 L504 K585	L420-I587 HydrophobicContact CD2-CB 4.04Å; L420-I587 HydrophobicContact CD2-CG2 3.96Å; E470-I587 HydrophobicContact CG-CD1 3.83Å; E470-I587 HydrophobicContact CG-CG1 3.95Å; G498-I587 WeakPolarHBondContact O-CG2 3.1Å; L504-I587 HydrophobicContact CD1-CD1 4.18Å; K585-I587 PolarHBondContact O-N 3.15Å
588	R	87.2	Confident	90.7	Very high	195 Å²	195	75.1 Å²	75.1	74%	0.736	32%	0.316	S	S	*	.			trans	-99.2	107.5	165.1	-68.5	-171.2	178.9	-170.2	0.6	108.8	R590	R588-R590 PolarHBondContact O-N 3.3Å
589	P	81.2	Confident	90.3	Very high	32 Å²	32	77.5 Å²	77.5	21%	0.208	32%	0.316	C	S	.	.			trans	-63.5	137.3	-177.4	23.8	-30.1	0	0	0	110.6	L420 Y423 W591	L420-P589 HydrophobicContact CD2-CG 4.31Å; Y423-P589 HydrophobicContact CD2-CG 4.1Å; Y423-P589 HydrophobicContact CG-CG 3.93Å; P589-W591 HydrophobicContact CB-CD2 3.71Å; P589-W591 HydrophobicContact CB-CE3 4.01Å; P589-W591 HydrophobicContact CB-CG 4.31Å; P589-W591 HydrophobicContact CB-CH2 3.76Å; P589-W591 HydrophobicContact CB-CZ2 3.44Å; P589-W591 VanDerWaalsContact CB-CZ2 3.44Å; P589-W591 HydrophobicContact CB-CZ3 4.01Å; P589-W591 HydrophobicContact CG-CD2 4.23Å; P589-W591 HydrophobicContact CG-CE3 4.02Å; P589-W591 HydrophobicContact CG-CH2 3.42Å; P589-W591 VanDerWaalsContact CG-CH2 3.42Å; P589-W591 HydrophobicContact CG-CZ2 3.67Å; P589-W591 HydrophobicContact CG-CZ3 3.6Å
590	R	70.6	Confident	89.8	Confident	248 Å²	248	78.2 Å²	78.2	94%	0.936	32%	0.32	S	S	*	.			trans	-106.2	71.5	172.6	-64.3	-176.6	-177.9	-178.1	0	108.7	R588	R588-R590 PolarHBondContact O-N 3.3Å
591	W	67.5	Low	89.1	Confident	116 Å²	116	84 Å²	84	44%	0.439	34%	0.343	S	S	.	.			trans	-83	0	177.1	-55.2	-53	0	0	0	113.1	K390 L424 P589	K390-W591 HydrophobicContact CB-CB 3.74Å; K390-W591 HydrophobicContact CD-CB 4.33Å; K390-W591 WeakPolarHBondContact CD-OXT 3.42Å; K390-W591 WeakPolarHBondContact CE-OXT 3.33Å; K390-W591 HydrophobicContact CG-CB 4.25Å; K390-W591 WeakPolarHBondContact CG-OXT 3.33Å; K390-W591 PolarHBondContact NZ-O 3.39Å; K390-W591 PolarHBondContact NZ-OXT 3.4Å; L424-W591 HydrophobicContact CB-CH2 4.5Å; L424-W591 HydrophobicContact CB-CZ3 4.34Å; L424-W591 HydrophobicContact CD2-CD2 4.24Å; L424-W591 HydrophobicContact CD2-CE3 3.85Å; L424-W591 HydrophobicContact CD2-CH2 3.21Å; L424-W591 HydrophobicContact CD2-CZ2 3.63Å; L424-W591 HydrophobicContact CD2-CZ3 3.33Å; L424-W591 HydrophobicContact CG-CH2 3.51Å; L424-W591 HydrophobicContact CG-CZ2 4.27Å; L424-W591 HydrophobicContact CG-CZ3 3.77Å; P589-W591 HydrophobicContact CB-CD2 3.71Å; P589-W591 HydrophobicContact CB-CE3 4.01Å; P589-W591 HydrophobicContact CB-CG 4.31Å; P589-W591 HydrophobicContact CB-CH2 3.76Å; P589-W591 HydrophobicContact CB-CZ2 3.44Å; P589-W591 VanDerWaalsContact CB-CZ2 3.44Å; P589-W591 HydrophobicContact CB-CZ3 4.01Å; P589-W591 HydrophobicContact CG-CD2 4.23Å; P589-W591 HydrophobicContact CG-CE3 4.02Å; P589-W591 HydrophobicContact CG-CH2 3.42Å; P589-W591 VanDerWaalsContact CG-CH2 3.42Å; P589-W591 HydrophobicContact CG-CZ2 3.67Å; P589-W591 HydrophobicContact CG-CZ3 3.6Å

Retrieved 591 of 591 residues in 255.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).