A0A096N3U6_PAPAN Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB (A0A2K5MXK9), UniProt , Accession A0A096N3U6, Species PAPAN (Papio anubis, Olive baboon), Gene GALNT3, Length 633 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	50.8	Low	50.4	Low	224 Å²	224	148.3 Å²	148.3	100%	1.103	73%	0.728	S	S	*	*				0	-7	0	-103.7	-177.3	-91.5	0	0	115.9
2	A	50.6	Low	50.7	Low	87 Å²	87	143.8 Å²	143.8	72%	0.719	71%	0.708	S	S	*	*			trans	-88.3	-22	179.8	0	0	0	0	0	115.1
3	H	46.8	Very low	50.5	Low	165 Å²	165	145.8 Å²	145.8	76%	0.764	71%	0.711	S	S	*	*	S	Bend	trans	-82.1	-23.6	-177.3	-108.6	-73.3	0	0	0	114.7
4	L	46.9	Very low	50.5	Low	139 Å²	139	149.4 Å²	149.4	73%	0.728	71%	0.713	S	S	*	*	H	α-helix	trans	-81.7	-27.3	-177.3	-146.5	73.4	0	0	0	113
5	K	47.4	Very low	50.5	Low	174 Å²	174	148 Å²	148	76%	0.757	71%	0.705	S	S	*	*	H	α-helix	trans	-75.6	-20.8	178.4	-76.9	-175.9	176.1	179.3	0	113.8
6	R	51.1	Low	50.4	Low	201 Å²	201	148.7 Å²	148.7	76%	0.758	70%	0.7	S	S	*	*	H	α-helix	trans	-83.4	-30.9	-178.9	-135.1	175.4	-173.9	-176.9	1.1	112.9
7	L	51.1	Low	50.6	Low	117 Å²	117	148.4 Å²	148.4	61%	0.613	70%	0.697	S	S	*	*	H	α-helix	trans	-74.5	-36.9	177.7	-92.5	148.6	0	0	0	113	L10 H11	L7-L10 PolarHBondContact O-N 3.45Å; L7-H11 PolarHBondContact O-N 3.23Å
8	V	55.5	Low	50.7	Low	85 Å²	85	148.5 Å²	148.5	52%	0.515	70%	0.695	S	S	.	*	H	α-helix	trans	-70.1	-36.6	178.9	178.9	0	0	0	0	111.9	L10 H11 I12	V8-L10 PolarHBondContact O-N 3.23Å; V8-H11 PolarHBondContact O-N 3.42Å; V8-I12 HydrophobicContact CG1-CD1 3.83Å; V8-I12 WeakPolarHBondContact O-CG1 3.47Å; V8-I12 PolarHBondContact O-N 3.36Å
9	K	51.1	Low	50.8	Low	175 Å²	175	148.7 Å²	148.7	76%	0.761	69%	0.693	S	S	*	*	H	α-helix	trans	-68.8	-30.2	177.2	-113.5	179.7	179.7	179.7	0	113.4
10	L	51.2	Low	51.1	Low	119 Å²	119	148.7 Å²	148.7	62%	0.623	69%	0.691	S	S	*	*	H	α-helix	trans	-78.2	-32.5	176.7	-108.1	125.1	0	0	0	112.7	L7 V8 R14	L7-L10 PolarHBondContact O-N 3.45Å; V8-L10 PolarHBondContact O-N 3.23Å; L10-R14 PolarHBondContact O-N 3.09Å
11	H	52	Low	51.4	Low	145 Å²	145	151.5 Å²	151.5	67%	0.671	70%	0.696	S	S	*	*	H	α-helix	trans	-73.2	-39.6	178.1	-120.2	68.9	0	0	0	112.7	L7 V8 R14 H15	L7-H11 PolarHBondContact O-N 3.23Å; V8-H11 PolarHBondContact O-N 3.42Å; H11-R14 PolarHBondContact O-N 3.44Å; H11-H15 WeakPolarHBondContact O-CB 3.4Å; H11-H15 PolarHBondContact O-N 3.46Å; H11-H15 VanDerWaalsContact O-N 3.09Å
12	I	53.2	Low	51.7	Low	95 Å²	95	148 Å²	148	49%	0.487	68%	0.675	S	S	.	*	H	α-helix	trans	-68.8	-39.3	179.6	-64.7	171.3	0	0	0	111.4	V8 R14 H15 Y16	V8-I12 HydrophobicContact CG1-CD1 3.83Å; V8-I12 WeakPolarHBondContact O-CG1 3.47Å; V8-I12 PolarHBondContact O-N 3.36Å; I12-R14 VanDerWaalsContact C-N 3.35Å; I12-R14 PolarHBondContact O-N 3.36Å; I12-H15 PolarHBondContact O-N 3.44Å; I12-Y16 HydrophobicContact CG2-CD2 4Å; I12-Y16 HydrophobicContact CG2-CE2 4.2Å; I12-Y16 PolarHBondContact O-N 3.45Å; I12-Y16 VanDerWaalsContact O-N 3.15Å
13	K	49.2	Very low	52.5	Low	170 Å²	170	149.2 Å²	149.2	74%	0.739	67%	0.668	S	S	*	*	H	α-helix	trans	-67.5	-33.4	178.2	-137.1	-179.9	-174.2	-173.8	0	112.6	H17	K13-H17 PolarHBondContact O-N 3.15Å
14	R	49.6	Very low	53.6	Low	196 Å²	196	143.4 Å²	143.4	74%	0.74	65%	0.653	S	S	*	*	H	α-helix	trans	-78.4	-26.7	178	-137.2	172.9	-176.6	178.1	0.2	112.7	L10 H11 I12	L10-R14 PolarHBondContact O-N 3.09Å; H11-R14 PolarHBondContact O-N 3.44Å; I12-R14 VanDerWaalsContact C-N 3.35Å; I12-R14 PolarHBondContact O-N 3.36Å
15	H	50.2	Low	54.9	Low	128 Å²	128	139.3 Å²	139.3	59%	0.593	64%	0.639	S	S	*	*	H	α-helix	trans	-81	-37.6	179	-150.2	15.3	0	0	0	113	H11 I12 K19	H11-H15 WeakPolarHBondContact O-CB 3.4Å; H11-H15 PolarHBondContact O-N 3.46Å; H11-H15 VanDerWaalsContact O-N 3.09Å; I12-H15 PolarHBondContact O-N 3.44Å; H15-K19 PolarHBondContact O-N 3.44Å
16	Y	50.3	Low	56.2	Low	159 Å²	159	135.5 Å²	135.5	62%	0.624	63%	0.63	S	S	*	*	H	α-helix	trans	-68.3	-36.8	174.6	-92.7	-92.6	0	0	0	113	I12 K18 K19 F20	I12-Y16 HydrophobicContact CG2-CD2 4Å; I12-Y16 HydrophobicContact CG2-CE2 4.2Å; I12-Y16 PolarHBondContact O-N 3.45Å; I12-Y16 VanDerWaalsContact O-N 3.15Å; Y16-K18 VanDerWaalsContact C-N 3.35Å; Y16-K18 PolarHBondContact O-N 3.36Å; Y16-K19 PolarHBondContact O-N 3.28Å; Y16-F20 PolarHBondContact O-N 3.18Å
17	H	52.6	Low	57.3	Low	143 Å²	143	129.8 Å²	129.8	66%	0.662	62%	0.617	S	S	*	*	H	α-helix	trans	-66.7	-34	178.1	-133	-54.4	0	0	0	113	K13 W21	K13-H17 PolarHBondContact O-N 3.15Å; H17-W21 PolarHBondContact O-N 3.31Å
18	K	53.2	Low	58.5	Low	151 Å²	151	130.8 Å²	130.8	66%	0.657	62%	0.617	S	S	*	*	H	α-helix	trans	-72.8	-29.5	175.7	-92.6	-175.2	173.6	-177.3	0	113.4	Y16 K22	Y16-K18 VanDerWaalsContact C-N 3.35Å; Y16-K18 PolarHBondContact O-N 3.36Å; K18-K22 WeakPolarHBondContact O-CG 3.36Å; K18-K22 PolarHBondContact O-N 3.36Å
19	K	52.4	Low	59.6	Low	152 Å²	152	133.6 Å²	133.6	66%	0.661	62%	0.622	S	S	*	*	H	α-helix	trans	-76.1	-40.5	176.5	-95.4	-171.7	174.3	-176.6	0	112.5	H15 Y16 K22 L23	H15-K19 PolarHBondContact O-N 3.44Å; Y16-K19 PolarHBondContact O-N 3.28Å; K19-K22 PolarHBondContact O-N 3.06Å; K19-L23 PolarHBondContact O-N 2.93Å
20	F	55.7	Low	60.7	Low	149 Å²	149	131.5 Å²	131.5	65%	0.654	61%	0.614	S	S	*	*	H	α-helix	trans	-67.1	-37.2	176.2	-97.2	-84.4	0	0	0	113	Y16 L23 G24	Y16-F20 PolarHBondContact O-N 3.18Å; F20-L23 PolarHBondContact O-N 3.44Å; F20-G24 PolarHBondContact O-N 2.93Å
21	W	58.7	Low	62	Low	208 Å²	208	130.3 Å²	130.3	79%	0.788	61%	0.607	S	S	*	*	H	α-helix	trans	-69.1	-36.1	177.4	-141.1	67.8	0	0	0	112.4	H17 A25	H17-W21 PolarHBondContact O-N 3.31Å; W21-A25 VanDerWaalsContact O-CB 3.28Å; W21-A25 WeakPolarHBondContact O-CB 3.3Å; W21-A25 PolarHBondContact O-N 3.39Å
22	K	57.7	Low	63.3	Low	151 Å²	151	126.6 Å²	126.6	66%	0.657	59%	0.591	S	S	*	*	H	α-helix	trans	-67.7	-39.1	173.4	-76.4	-175.1	176.4	-166	0	112.5	K18 K19 V26	K18-K22 WeakPolarHBondContact O-CG 3.36Å; K18-K22 PolarHBondContact O-N 3.36Å; K19-K22 PolarHBondContact O-N 3.06Å; K22-V26 VanDerWaalsContact O-CG2 3.26Å; K22-V26 WeakPolarHBondContact O-CG2 3.37Å; K22-V26 PolarHBondContact O-N 3.08Å; K22-V26 VanDerWaalsContact O-N 3.08Å
23	L	66.1	Low	64.5	Low	112 Å²	112	124.8 Å²	124.8	59%	0.586	58%	0.584	S	S	*	*	H	α-helix	trans	-69.3	-42.3	177	-165	70.6	0	0	0	111.6	K19 F20 A25 V26 V27	K19-L23 PolarHBondContact O-N 2.93Å; F20-L23 PolarHBondContact O-N 3.44Å; L23-A25 PolarHBondContact O-N 2.96Å; L23-V26 PolarHBondContact O-N 2.88Å; L23-V27 WeakPolarHBondContact O-CG2 3.28Å; L23-V27 PolarHBondContact O-N 3.48Å
24	G	71.4	Confident	65.5	Low	43 Å²	43	120.9 Å²	120.9	44%	0.443	57%	0.571	S	S	.	*	H	α-helix	trans	-62.2	-40.3	174.3	0	0	0	0	0	112.9	F20 V27 F28	F20-G24 PolarHBondContact O-N 2.93Å; G24-V27 PolarHBondContact O-N 2.93Å; G24-F28 VanDerWaalsContact O-CB 3.26Å; G24-F28 WeakPolarHBondContact O-CB 3.26Å; G24-F28 PolarHBondContact O-N 2.99Å
25	A	72.4	Confident	66.7	Low	52 Å²	52	115.5 Å²	115.5	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-38.4	175.6	0	0	0	0	0	112.6	W21 L23 F29	W21-A25 VanDerWaalsContact O-CB 3.28Å; W21-A25 WeakPolarHBondContact O-CB 3.3Å; W21-A25 PolarHBondContact O-N 3.39Å; L23-A25 PolarHBondContact O-N 2.96Å; A25-F29 VanDerWaalsContact O-CB 3.3Å; A25-F29 WeakPolarHBondContact O-CB 3.26Å; A25-F29 PolarHBondContact O-N 3.49Å
26	V	75.3	Confident	67.8	Low	95 Å²	95	113.9 Å²	113.9	58%	0.576	56%	0.555	S	S	*	*	H	α-helix	trans	-68.4	-43.4	176.8	170.9	0	0	0	0	111.4	K22 L23 F29 F30	K22-V26 VanDerWaalsContact O-CG2 3.26Å; K22-V26 WeakPolarHBondContact O-CG2 3.37Å; K22-V26 PolarHBondContact O-N 3.08Å; K22-V26 VanDerWaalsContact O-N 3.08Å; L23-V26 PolarHBondContact O-N 2.88Å; V26-F29 PolarHBondContact O-N 3.36Å; V26-F30 WeakPolarHBondContact O-CB 3.37Å; V26-F30 PolarHBondContact O-N 3.29Å
27	V	74.7	Confident	68.6	Low	80 Å²	80	111.2 Å²	111.2	49%	0.485	55%	0.55	S	S	.	.	H	α-helix	trans	-64.9	-42	176.8	173.6	0	0	0	0	111	L23 G24 F30 I31	L23-V27 WeakPolarHBondContact O-CG2 3.28Å; L23-V27 PolarHBondContact O-N 3.48Å; G24-V27 PolarHBondContact O-N 2.93Å; V27-F30 PolarHBondContact O-N 2.94Å; V27-I31 HydrophobicContact CG1-CD1 4.03Å; V27-I31 WeakPolarHBondContact O-CG1 3.46Å; V27-I31 PolarHBondContact O-N 3.26Å
28	F	75.8	Confident	69	Low	139 Å²	139	111.4 Å²	111.4	61%	0.61	55%	0.551	S	S	*	*	H	α-helix	trans	-63.5	-42	176.4	-173.3	-105.9	0	0	0	111.9	G24 F30 I31 I32	G24-F28 VanDerWaalsContact O-CB 3.26Å; G24-F28 WeakPolarHBondContact O-CB 3.26Å; G24-F28 PolarHBondContact O-N 2.99Å; F28-F30 VanDerWaalsContact C-N 3.35Å; F28-I31 PolarHBondContact O-N 2.9Å; F28-I32 HydrophobicContact CD1-CD1 3.68Å; F28-I32 HydrophobicContact CE1-CD1 3.3Å; F28-I32 HydrophobicContact CE1-CG1 4.38Å; F28-I32 HydrophobicContact CG-CD1 4.45Å; F28-I32 HydrophobicContact CZ-CD1 3.79Å; F28-I32 WeakPolarHBondContact O-CG1 3.36Å; F28-I32 PolarHBondContact O-N 3.32Å
29	F	78.6	Confident	69.5	Low	143 Å²	143	112.5 Å²	112.5	63%	0.627	55%	0.551	S	S	*	*	H	α-helix	trans	-64.8	-38.9	174.8	-161.3	-94.7	0	0	0	111.9	A25 V26 I32 V33	A25-F29 VanDerWaalsContact O-CB 3.3Å; A25-F29 WeakPolarHBondContact O-CB 3.26Å; A25-F29 PolarHBondContact O-N 3.49Å; V26-F29 PolarHBondContact O-N 3.36Å; F29-I32 PolarHBondContact O-N 3.01Å; F29-V33 HydrophobicContact CD1-CG2 4Å; F29-V33 HydrophobicContact CE1-CG2 3.87Å; F29-V33 VanDerWaalsContact O-CG2 3.32Å; F29-V33 WeakPolarHBondContact O-CG2 3.36Å; F29-V33 PolarHBondContact O-N 3.43Å
30	F	75.4	Confident	69.8	Low	132 Å²	132	111.4 Å²	111.4	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-66.6	-39.7	177.7	-159.3	-96.6	0	0	0	112.5	V26 V27 F28 V33 L34	V26-F30 WeakPolarHBondContact O-CB 3.37Å; V26-F30 PolarHBondContact O-N 3.29Å; V27-F30 PolarHBondContact O-N 2.94Å; F28-F30 VanDerWaalsContact C-N 3.35Å; F30-V33 PolarHBondContact O-N 2.8Å; F30-L34 HydrophobicContact CD1-CD1 3.76Å; F30-L34 HydrophobicContact CD1-CG 4.27Å; F30-L34 HydrophobicContact CE1-CD1 3.75Å; F30-L34 HydrophobicContact CE1-CG 4.19Å; F30-L34 WeakPolarHBondContact O-CG 3.32Å; F30-L34 PolarHBondContact O-N 3.32Å
31	I	77.1	Confident	69.9	Low	93 Å²	93	108.7 Å²	108.7	48%	0.477	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-41.5	173.8	-68.1	171.2	0	0	0	110.6	V27 F28 V33 L34 V35	V27-I31 HydrophobicContact CG1-CD1 4.03Å; V27-I31 WeakPolarHBondContact O-CG1 3.46Å; V27-I31 PolarHBondContact O-N 3.26Å; F28-I31 PolarHBondContact O-N 2.9Å; I31-V33 VanDerWaalsContact C-N 3.34Å; I31-V33 PolarHBondContact O-N 3.43Å; I31-L34 PolarHBondContact O-N 2.84Å; I31-V35 HydrophobicContact CG2-CG2 4.42Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.36Å; I31-V35 PolarHBondContact O-N 3.33Å
32	I	79.7	Confident	69.7	Low	68 Å²	68	102.2 Å²	102.2	35%	0.349	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-44.4	174.8	-73	172.3	0	0	0	110.7	F28 F29 L34 V35 L36	F28-I32 HydrophobicContact CD1-CD1 3.68Å; F28-I32 HydrophobicContact CE1-CD1 3.3Å; F28-I32 HydrophobicContact CE1-CG1 4.38Å; F28-I32 HydrophobicContact CG-CD1 4.45Å; F28-I32 HydrophobicContact CZ-CD1 3.79Å; F28-I32 WeakPolarHBondContact O-CG1 3.36Å; F28-I32 PolarHBondContact O-N 3.32Å; F29-I32 PolarHBondContact O-N 3.01Å; I32-L34 PolarHBondContact O-N 2.92Å; I32-V35 PolarHBondContact O-N 2.92Å; I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 HydrophobicContact CG2-CG 4.22Å; I32-L36 WeakPolarHBondContact O-CB 3.22Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.3Å
33	V	77.9	Confident	69.7	Low	56 Å²	56	98.5 Å²	98.5	34%	0.339	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-41.7	176.9	171.1	0	0	0	0	111.4	F29 F30 I31 L36 M37	F29-V33 HydrophobicContact CD1-CG2 4Å; F29-V33 HydrophobicContact CE1-CG2 3.87Å; F29-V33 VanDerWaalsContact O-CG2 3.32Å; F29-V33 WeakPolarHBondContact O-CG2 3.36Å; F29-V33 PolarHBondContact O-N 3.43Å; F30-V33 PolarHBondContact O-N 2.8Å; I31-V33 VanDerWaalsContact C-N 3.34Å; I31-V33 PolarHBondContact O-N 3.43Å; V33-L36 PolarHBondContact O-N 3.5Å; V33-M37 HydrophobicContact CG1-CG 4.37Å; V33-M37 WeakPolarHBondContact O-CB 3.37Å; V33-M37 WeakPolarHBondContact O-CG 3.25Å; V33-M37 PolarHBondContact O-N 3.48Å
34	L	70.7	Confident	69.2	Low	89 Å²	89	99 Å²	99	47%	0.466	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.9	-78.5	170.6	0	0	0	112.7	F30 I31 I32 M37 Q38	F30-L34 HydrophobicContact CD1-CD1 3.76Å; F30-L34 HydrophobicContact CD1-CG 4.27Å; F30-L34 HydrophobicContact CE1-CD1 3.75Å; F30-L34 HydrophobicContact CE1-CG 4.19Å; F30-L34 WeakPolarHBondContact O-CG 3.32Å; F30-L34 PolarHBondContact O-N 3.32Å; I31-L34 PolarHBondContact O-N 2.84Å; I32-L34 PolarHBondContact O-N 2.92Å; L34-M37 PolarHBondContact O-N 3.35Å; L34-Q38 WeakPolarHBondContact O-CB 3.44Å; L34-Q38 PolarHBondContact O-N 3.32Å
35	V	75.6	Confident	68.1	Low	83 Å²	83	104.8 Å²	104.8	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-67.7	-40	175.9	171.3	0	0	0	0	110.9	I31 I32 R39	I31-V35 HydrophobicContact CG2-CG2 4.42Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.36Å; I31-V35 PolarHBondContact O-N 3.33Å; I32-V35 PolarHBondContact O-N 2.92Å; V35-R39 VanDerWaalsContact O-CB 3.25Å; V35-R39 WeakPolarHBondContact O-CB 3.25Å; V35-R39 PolarHBondContact O-N 2.86Å
36	L	73	Confident	67.2	Low	93 Å²	93	105.6 Å²	105.6	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-66.7	-39.6	175.4	-71.6	173.3	0	0	0	111.6	I32 V33 R39 E40	I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 HydrophobicContact CG2-CG 4.22Å; I32-L36 WeakPolarHBondContact O-CB 3.22Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.3Å; V33-L36 PolarHBondContact O-N 3.5Å; L36-R39 PolarHBondContact O-N 3.41Å; L36-E40 PolarHBondContact O-N 2.95Å
37	M	66.2	Low	66.2	Low	104 Å²	104	107.9 Å²	107.9	51%	0.512	53%	0.534	S	S	.	.	H	α-helix	trans	-67.6	-42.4	175	-78.4	-155.2	76.6	0	0	112.5	V33 L34 R39 E40 V41	V33-M37 HydrophobicContact CG1-CG 4.37Å; V33-M37 WeakPolarHBondContact O-CB 3.37Å; V33-M37 WeakPolarHBondContact O-CG 3.25Å; V33-M37 PolarHBondContact O-N 3.48Å; L34-M37 PolarHBondContact O-N 3.35Å; M37-R39 VanDerWaalsContact C-N 3.26Å; M37-R39 PolarHBondContact O-N 2.8Å; M37-E40 PolarHBondContact O-N 2.88Å; M37-V41 WeakPolarHBondContact O-CB 3.31Å; M37-V41 VanDerWaalsContact O-CG2 3.25Å; M37-V41 WeakPolarHBondContact O-CG2 3.16Å; M37-V41 PolarHBondContact O-N 3.46Å
38	Q	61.1	Low	65.2	Low	146 Å²	146	109.9 Å²	109.9	68%	0.682	54%	0.538	S	S	*	.	H	α-helix	trans	-62.9	-36	173	-86.2	-174	-31.7	0	0	111.7	L34 S42	L34-Q38 WeakPolarHBondContact O-CB 3.44Å; L34-Q38 PolarHBondContact O-N 3.32Å; Q38-S42 WeakPolarHBondContact O-CB 3.08Å; Q38-S42 PolarHBondContact O-N 3.3Å
39	R	64.5	Low	63.9	Low	175 Å²	175	108.6 Å²	108.6	66%	0.66	53%	0.533	S	S	*	.	H	α-helix	trans	-71.3	-37.8	176.3	-162.2	177	-175.4	-177.7	1.3	111.9	V35 L36 M37 S42 V43	V35-R39 VanDerWaalsContact O-CB 3.25Å; V35-R39 WeakPolarHBondContact O-CB 3.25Å; V35-R39 PolarHBondContact O-N 2.86Å; L36-R39 PolarHBondContact O-N 3.41Å; M37-R39 VanDerWaalsContact C-N 3.26Å; M37-R39 PolarHBondContact O-N 2.8Å; R39-S42 PolarHBondContact O-OG 3.3Å; R39-V43 VanDerWaalsContact O-CB 3.24Å; R39-V43 WeakPolarHBondContact O-CB 3.24Å; R39-V43 WeakPolarHBondContact O-CG2 3.35Å; R39-V43 PolarHBondContact O-N 2.92Å
40	E	59.2	Low	62.6	Low	128 Å²	128	103.6 Å²	103.6	60%	0.598	52%	0.516	S	S	*	.	H	α-helix	trans	-65.5	-44.9	172.2	-81.3	-175.4	161.2	0	0	111.2	L36 M37 S42 V43 Q44	L36-E40 PolarHBondContact O-N 2.95Å; M37-E40 PolarHBondContact O-N 2.88Å; E40-S42 PolarHBondContact O-N 2.81Å; E40-V43 PolarHBondContact O-N 3.37Å; E40-Q44 WeakPolarHBondContact O-CB 3.4Å; E40-Q44 PolarHBondContact O-N 3.45Å
41	V	57	Low	61.3	Low	92 Å²	92	105.3 Å²	105.3	56%	0.558	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-41.5	176.2	173.4	0	0	0	0	111.3	M37 Q44 Y45	M37-V41 WeakPolarHBondContact O-CB 3.31Å; M37-V41 VanDerWaalsContact O-CG2 3.25Å; M37-V41 WeakPolarHBondContact O-CG2 3.16Å; M37-V41 PolarHBondContact O-N 3.46Å; V41-Q44 PolarHBondContact O-N 2.89Å; V41-Y45 WeakPolarHBondContact O-CB 3.49Å; V41-Y45 PolarHBondContact O-N 2.99Å
42	S	53.4	Low	59.8	Low	72 Å²	72	107.6 Å²	107.6	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-69.9	-36.2	177.2	96.6	0	0	0	0	112.5	Q38 R39 E40 Q44 S46	Q38-S42 WeakPolarHBondContact O-CB 3.08Å; Q38-S42 PolarHBondContact O-N 3.3Å; R39-S42 PolarHBondContact O-OG 3.3Å; E40-S42 PolarHBondContact O-N 2.81Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-S46 VanDerWaalsContact O-CB 3.25Å; S42-S46 WeakPolarHBondContact O-CB 3.31Å; S42-S46 PolarHBondContact O-N 3.24Å
43	V	59.6	Low	58.4	Low	74 Å²	74	109.6 Å²	109.6	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-69.6	-34.1	175.4	168.9	0	0	0	0	110.8	R39 E40 K47	R39-V43 VanDerWaalsContact O-CB 3.24Å; R39-V43 WeakPolarHBondContact O-CB 3.24Å; R39-V43 WeakPolarHBondContact O-CG2 3.35Å; R39-V43 PolarHBondContact O-N 2.92Å; E40-V43 PolarHBondContact O-N 3.37Å; V43-K47 VanDerWaalsContact O-CB 3.31Å; V43-K47 WeakPolarHBondContact O-CB 3.49Å; V43-K47 PolarHBondContact O-N 2.85Å
44	Q	54.4	Low	57.1	Low	122 Å²	122	114.1 Å²	114.1	57%	0.57	55%	0.548	S	S	*	.	H	α-helix	trans	-74.7	-40.5	177.9	-158.3	155.4	-15.2	0	0	111.3	E40 V41 S42 K47 E48	E40-Q44 WeakPolarHBondContact O-CB 3.4Å; E40-Q44 PolarHBondContact O-N 3.45Å; V41-Q44 PolarHBondContact O-N 2.89Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-K47 PolarHBondContact O-N 3.46Å; Q44-E48 WeakPolarHBondContact O-CB 3.31Å; Q44-E48 WeakPolarHBondContact O-CG 3.25Å; Q44-E48 PolarHBondContact O-N 2.82Å
45	Y	48.1	Very low	56.2	Low	164 Å²	164	113.9 Å²	113.9	64%	0.643	55%	0.548	S	S	*	.	H	α-helix	trans	-63.5	-44	172	-155.8	-90.6	0	0	0	111.7	V41 K47 E48 E49	V41-Y45 WeakPolarHBondContact O-CB 3.49Å; V41-Y45 PolarHBondContact O-N 2.99Å; Y45-K47 PolarHBondContact O-N 3.27Å; Y45-E48 PolarHBondContact O-N 2.87Å; Y45-E49 VanDerWaalsContact O-CB 3.31Å; Y45-E49 WeakPolarHBondContact O-CB 3.12Å; Y45-E49 PolarHBondContact O-N 3.13Å
46	S	53.8	Low	54.8	Low	70 Å²	70	115.6 Å²	115.6	49%	0.49	55%	0.551	S	S	.	*	H	α-helix	trans	-65.1	-35.7	174.2	175.8	0	0	0	0	112.8	S42 S50	S42-S46 VanDerWaalsContact O-CB 3.25Å; S42-S46 WeakPolarHBondContact O-CB 3.31Å; S42-S46 PolarHBondContact O-N 3.24Å; S46-S50 VanDerWaalsContact O-CB 3.23Å; S46-S50 WeakPolarHBondContact O-CB 3.46Å; S46-S50 PolarHBondContact O-N 2.84Å; S46-S50 PolarHBondContact O-OG 3.16Å
47	K	54.3	Low	54	Low	143 Å²	143	118.3 Å²	118.3	62%	0.622	56%	0.559	S	S	*	*	H	α-helix	trans	-69	-36.8	172.8	-98.6	179.9	174.7	175.9	0	112.4	V43 Q44 Y45 S50 R51	V43-K47 VanDerWaalsContact O-CB 3.31Å; V43-K47 WeakPolarHBondContact O-CB 3.49Å; V43-K47 PolarHBondContact O-N 2.85Å; Q44-K47 PolarHBondContact O-N 3.46Å; Y45-K47 PolarHBondContact O-N 3.27Å; K47-S50 WeakPolarHBondContact CA-OG 3.23Å; K47-S50 PolarHBondContact O-OG 2.92Å; K47-S50 VanDerWaalsContact O-OG 3.13Å; K47-R51 WeakPolarHBondContact O-CB 3.48Å; K47-R51 PolarHBondContact O-N 2.95Å
48	E	53.3	Low	53.4	Low	121 Å²	121	118.1 Å²	118.1	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-72.8	-42.9	176.7	-78.7	-173.7	160.7	0	0	112	Q44 Y45 R51 M52	Q44-E48 WeakPolarHBondContact O-CB 3.31Å; Q44-E48 WeakPolarHBondContact O-CG 3.25Å; Q44-E48 PolarHBondContact O-N 2.82Å; Y45-E48 PolarHBondContact O-N 2.87Å; E48-R51 CarbonylContact O-C 3.53Å; E48-R51 PolarHBondContact O-N 3.49Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E48-M52 VanDerWaalsContact O-CB 3.3Å; E48-M52 WeakPolarHBondContact O-CB 3.45Å; E48-M52 PolarHBondContact O-N 3.21Å
49	E	49.5	Very low	53	Low	112 Å²	112	118.6 Å²	118.6	52%	0.523	56%	0.56	S	S	.	*	H	α-helix	trans	-62.9	-45.9	175	-167.8	170.7	-157	0	0	110.8	Y45 R51 M52 E53	Y45-E49 VanDerWaalsContact O-CB 3.31Å; Y45-E49 WeakPolarHBondContact O-CB 3.12Å; Y45-E49 PolarHBondContact O-N 3.13Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-R51 PolarHBondContact O-N 2.92Å; E49-M52 PolarHBondContact O-N 3.22Å; E49-E53 WeakPolarHBondContact O-CB 3.26Å; E49-E53 PolarHBondContact O-N 3.38Å
50	S	50.6	Low	52.3	Low	38 Å²	38	114.5 Å²	114.5	27%	0.266	55%	0.551	S	S	.	*	H	α-helix	trans	-69.4	-22.4	174.7	66.8	0	0	0	0	113.9	S46 K47 R54	S46-S50 VanDerWaalsContact O-CB 3.23Å; S46-S50 WeakPolarHBondContact O-CB 3.46Å; S46-S50 PolarHBondContact O-N 2.84Å; S46-S50 PolarHBondContact O-OG 3.16Å; K47-S50 WeakPolarHBondContact CA-OG 3.23Å; K47-S50 PolarHBondContact O-OG 2.92Å; K47-S50 VanDerWaalsContact O-OG 3.13Å; S50-R54 VanDerWaalsContact O-CB 3.3Å; S50-R54 WeakPolarHBondContact O-CB 3.34Å; S50-R54 WeakPolarHBondContact O-CG 3.3Å; S50-R54 PolarHBondContact O-N 3.33Å; S50-R54 PolarHBondContact O-NE 3.23Å; S50-R54 PolarHBondContact OG-NH2 3.42Å
51	R	48.4	Very low	52.1	Low	168 Å²	168	115 Å²	115	63%	0.634	55%	0.552	S	S	*	*	H	α-helix	trans	-80.4	-36.5	172.2	-174	178.8	-176.8	-173.9	-0.1	110.8	K47 E48 E49 N55	K47-R51 WeakPolarHBondContact O-CB 3.48Å; K47-R51 PolarHBondContact O-N 2.95Å; E48-R51 CarbonylContact O-C 3.53Å; E48-R51 PolarHBondContact O-N 3.49Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-R51 PolarHBondContact O-N 2.92Å; R51-N55 VanDerWaalsContact O-CB 3.26Å; R51-N55 WeakPolarHBondContact O-CB 3.3Å; R51-N55 PolarHBondContact O-N 2.83Å; R51-N55 PolarHBondContact O-ND2 2.83Å
52	M	44.9	Very low	51.6	Low	141 Å²	141	115.9 Å²	115.9	70%	0.695	55%	0.551	S	S	*	*	H	α-helix	trans	-69.4	-44.6	175.7	-161.6	174.5	-155.4	0	0	110.8	E48 E49 R54 N55 M56	E48-M52 VanDerWaalsContact O-CB 3.3Å; E48-M52 WeakPolarHBondContact O-CB 3.45Å; E48-M52 PolarHBondContact O-N 3.21Å; E49-M52 PolarHBondContact O-N 3.22Å; M52-R54 PolarHBondContact O-N 2.81Å; M52-N55 CarbonylContact O-C 3.57Å; M52-N55 PolarHBondContact O-N 2.78Å; M52-M56 VanDerWaalsContact O-CB 3.29Å; M52-M56 WeakPolarHBondContact O-CB 3.32Å; M52-M56 PolarHBondContact O-N 3.24Å
53	E	51.9	Low	51.3	Low	111 Å²	111	117.2 Å²	117.2	52%	0.519	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-40.8	172.3	-79	-167.6	143.6	0	0	112.3	E49 M56 K57	E49-E53 WeakPolarHBondContact O-CB 3.26Å; E49-E53 PolarHBondContact O-N 3.38Å; E53-M56 PolarHBondContact O-N 2.83Å; E53-K57 WeakPolarHBondContact O-CB 3.26Å; E53-K57 PolarHBondContact O-N 2.75Å
54	R	50.3	Low	51	Low	150 Å²	150	118.5 Å²	118.5	57%	0.566	56%	0.556	S	S	*	*	H	α-helix	trans	-65.7	-40	173.5	-86.6	-179.1	-73.5	178.1	-5.8	112.1	S50 M52 M56 N58	S50-R54 VanDerWaalsContact O-CB 3.3Å; S50-R54 WeakPolarHBondContact O-CB 3.34Å; S50-R54 WeakPolarHBondContact O-CG 3.3Å; S50-R54 PolarHBondContact O-N 3.33Å; S50-R54 PolarHBondContact O-NE 3.23Å; S50-R54 PolarHBondContact OG-NH2 3.42Å; M52-R54 PolarHBondContact O-N 2.81Å; R54-M56 VanDerWaalsContact C-N 3.35Å; R54-N58 WeakPolarHBondContact O-CB 3.33Å; R54-N58 PolarHBondContact O-N 2.96Å; R54-N58 PolarHBondContact O-ND2 3.5Å
55	N	50.7	Low	51	Low	85 Å²	85	117.5 Å²	117.5	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-67.9	-35.4	175.7	-75.1	-13.8	0	0	0	111.8	R51 M52 K59	R51-N55 VanDerWaalsContact O-CB 3.26Å; R51-N55 WeakPolarHBondContact O-CB 3.3Å; R51-N55 PolarHBondContact O-N 2.83Å; R51-N55 PolarHBondContact O-ND2 2.83Å; M52-N55 CarbonylContact O-C 3.57Å; M52-N55 PolarHBondContact O-N 2.78Å; N55-K59 VanDerWaalsContact O-CB 3.3Å; N55-K59 WeakPolarHBondContact O-CB 3.2Å; N55-K59 WeakPolarHBondContact O-CG 3.29Å; N55-K59 PolarHBondContact O-N 3.39Å
56	M	47.5	Very low	50.9	Low	118 Å²	118	114.6 Å²	114.6	58%	0.581	55%	0.548	S	S	*	.	H	α-helix	trans	-74.4	-40.4	177.7	-160.4	162.2	80.2	0	0	111.5	M52 E53 R54 K59 N60	M52-M56 VanDerWaalsContact O-CB 3.29Å; M52-M56 WeakPolarHBondContact O-CB 3.32Å; M52-M56 PolarHBondContact O-N 3.24Å; E53-M56 PolarHBondContact O-N 2.83Å; R54-M56 VanDerWaalsContact C-N 3.35Å; M56-K59 PolarHBondContact O-N 2.81Å; M56-N60 WeakPolarHBondContact O-CB 3.3Å; M56-N60 VanDerWaalsContact O-CG 3.24Å; M56-N60 PolarHBondContact O-N 2.64Å; M56-N60 PolarHBondContact O-OD1 3.43Å
57	K	55	Low	50.7	Low	150 Å²	150	115.4 Å²	115.4	65%	0.652	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-39.9	169.6	-82.9	-179.1	175.7	171.3	0	112.2	E53 K61	E53-K57 WeakPolarHBondContact O-CB 3.26Å; E53-K57 PolarHBondContact O-N 2.75Å; K57-K61 WeakPolarHBondContact O-CB 3.48Å; K57-K61 PolarHBondContact O-N 2.95Å
58	N	54.5	Low	50.3	Low	101 Å²	101	114.2 Å²	114.2	54%	0.54	54%	0.543	S	S	.	.	H	α-helix	trans	-70.3	-35.9	176.2	-74.2	-11.5	0	0	0	112	R54 M62	R54-N58 WeakPolarHBondContact O-CB 3.33Å; R54-N58 PolarHBondContact O-N 2.96Å; R54-N58 PolarHBondContact O-ND2 3.5Å; N58-M62 WeakPolarHBondContact O-CB 3.37Å; N58-M62 PolarHBondContact O-N 2.91Å
59	K	51.3	Low	49.9	Very low	156 Å²	156	110.5 Å²	110.5	68%	0.678	53%	0.533	S	S	*	.	H	α-helix	trans	-67	-44	172	-83.1	-176.6	174.6	-174.6	0	112	N55 M56 M62 L63	N55-K59 VanDerWaalsContact O-CB 3.3Å; N55-K59 WeakPolarHBondContact O-CB 3.2Å; N55-K59 WeakPolarHBondContact O-CG 3.29Å; N55-K59 PolarHBondContact O-N 3.39Å; M56-K59 PolarHBondContact O-N 2.81Å; K59-M62 CarbonylContact O-C 3.52Å; K59-M62 PolarHBondContact O-N 3.34Å; K59-L63 VanDerWaalsContact O-CB 3.3Å; K59-L63 WeakPolarHBondContact O-CB 3.34Å; K59-L63 PolarHBondContact O-N 2.96Å
60	N	50.3	Low	49.9	Very low	88 Å²	88	109.4 Å²	109.4	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-66.8	-38.8	176.2	-71.6	-1.9	0	0	0	111.2	M56 L63 D64	M56-N60 WeakPolarHBondContact O-CB 3.3Å; M56-N60 VanDerWaalsContact O-CG 3.24Å; M56-N60 PolarHBondContact O-N 2.64Å; M56-N60 PolarHBondContact O-OD1 3.43Å; N60-L63 CarbonylContact O-C 3.56Å; N60-L63 WeakPolarHBondContact O-CB 3.45Å; N60-L63 PolarHBondContact O-N 2.94Å; N60-D64 WeakPolarHBondContact O-CB 3.26Å; N60-D64 PolarHBondContact O-N 3.45Å
61	K	54.6	Low	49.8	Very low	139 Å²	139	111.9 Å²	111.9	60%	0.604	54%	0.544	S	S	*	.	H	α-helix	trans	-68.6	-34.2	174.2	-165	173.6	-175	179.1	0	112.2	K57 L65	K57-K61 WeakPolarHBondContact O-CB 3.48Å; K57-K61 PolarHBondContact O-N 2.95Å; K61-L65 HydrophobicContact CG-CD1 4.38Å; K61-L65 VanDerWaalsContact O-CB 3.24Å; K61-L65 WeakPolarHBondContact O-CB 3.49Å; K61-L65 WeakPolarHBondContact O-CD1 3.45Å; K61-L65 WeakPolarHBondContact O-CG 2.84Å; K61-L65 PolarHBondContact O-N 2.97Å
62	M	46.3	Very low	49.6	Very low	110 Å²	110	109 Å²	109	54%	0.542	54%	0.541	S	S	.	.	H	α-helix	trans	-70.1	-35.9	171.3	-177.5	178.2	169.4	0	0	111.5	N58 K59 M66	N58-M62 WeakPolarHBondContact O-CB 3.37Å; N58-M62 PolarHBondContact O-N 2.91Å; K59-M62 CarbonylContact O-C 3.52Å; K59-M62 PolarHBondContact O-N 3.34Å; M62-M66 HydrophobicContact CE-CE 3.59Å; M62-M66 HydrophobicContact CE-SD 4.14Å; M62-M66 HydrophobicContact CG-SD 4.36Å; M62-M66 VanDerWaalsContact O-CB 3.24Å; M62-M66 WeakPolarHBondContact O-CB 3.37Å; M62-M66 WeakPolarHBondContact O-CG 3.4Å; M62-M66 PolarHBondContact O-N 3.38Å
63	L	48.4	Very low	49.5	Very low	100 Å²	100	106.7 Å²	106.7	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-68.8	-42.4	175	-165.3	76.8	0	0	0	111.1	K59 N60 M66 L67	K59-L63 VanDerWaalsContact O-CB 3.3Å; K59-L63 WeakPolarHBondContact O-CB 3.34Å; K59-L63 PolarHBondContact O-N 2.96Å; N60-L63 CarbonylContact O-C 3.56Å; N60-L63 WeakPolarHBondContact O-CB 3.45Å; N60-L63 PolarHBondContact O-N 2.94Å; L63-M66 CarbonylContact O-C 3.54Å; L63-M66 PolarHBondContact O-N 3.38Å; L63-L67 HydrophobicContact CG-CD1 4.13Å; L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 WeakPolarHBondContact O-CD1 3.43Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.24Å
64	D	52.8	Low	49.1	Very low	102 Å²	102	109 Å²	109	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-44.8	173.7	-75.3	-19.7	0	0	0	110.5	N60 M66 L67 E68	N60-D64 WeakPolarHBondContact O-CB 3.26Å; N60-D64 PolarHBondContact O-N 3.45Å; D64-M66 VanDerWaalsContact C-N 3.29Å; D64-M66 PolarHBondContact O-N 2.95Å; D64-L67 PolarHBondContact O-N 3.34Å; D64-E68 WeakPolarHBondContact O-CB 3.13Å; D64-E68 PolarHBondContact O-N 3.15Å
65	L	55.2	Low	48.7	Very low	100 Å²	100	109 Å²	109	52%	0.524	55%	0.55	S	S	.	.	H	α-helix	trans	-64	-32.8	173.3	-75.4	166.7	0	0	0	112.3	K61 A69	K61-L65 HydrophobicContact CG-CD1 4.38Å; K61-L65 VanDerWaalsContact O-CB 3.24Å; K61-L65 WeakPolarHBondContact O-CB 3.49Å; K61-L65 WeakPolarHBondContact O-CD1 3.45Å; K61-L65 WeakPolarHBondContact O-CG 2.84Å; K61-L65 PolarHBondContact O-N 2.97Å; L65-A69 WeakPolarHBondContact O-CB 3.3Å; L65-A69 PolarHBondContact O-N 3.01Å
66	M	45.6	Very low	48	Very low	103 Å²	103	108.5 Å²	108.5	51%	0.507	56%	0.558	S	S	.	*	H	α-helix	trans	-72.5	-39.4	173.4	-82	178.6	152.8	0	0	111.8	M62 L63 D64 A69 V70	M62-M66 HydrophobicContact CE-CE 3.59Å; M62-M66 HydrophobicContact CE-SD 4.14Å; M62-M66 HydrophobicContact CG-SD 4.36Å; M62-M66 VanDerWaalsContact O-CB 3.24Å; M62-M66 WeakPolarHBondContact O-CB 3.37Å; M62-M66 WeakPolarHBondContact O-CG 3.4Å; M62-M66 PolarHBondContact O-N 3.38Å; L63-M66 CarbonylContact O-C 3.54Å; L63-M66 PolarHBondContact O-N 3.38Å; D64-M66 VanDerWaalsContact C-N 3.29Å; D64-M66 PolarHBondContact O-N 2.95Å; M66-A69 PolarHBondContact O-N 3.46Å; M66-V70 VanDerWaalsContact O-CB 3.3Å; M66-V70 WeakPolarHBondContact O-CB 3.48Å; M66-V70 WeakPolarHBondContact O-CG2 3.48Å; M66-V70 PolarHBondContact O-N 3.42Å
67	L	48.8	Very low	47.3	Very low	88 Å²	88	108.3 Å²	108.3	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-67	-40	174.6	-83.5	155.3	0	0	0	111.1	L63 D64 V70 N71	L63-L67 HydrophobicContact CG-CD1 4.13Å; L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 WeakPolarHBondContact O-CD1 3.43Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.24Å; D64-L67 PolarHBondContact O-N 3.34Å; L67-V70 PolarHBondContact O-N 3.43Å; L67-N71 WeakPolarHBondContact O-CB 3.18Å; L67-N71 PolarHBondContact O-N 2.97Å; L67-N71 PolarHBondContact O-ND2 2.95Å
68	E	46.5	Very low	46.1	Very low	118 Å²	118	105.7 Å²	105.7	55%	0.551	56%	0.555	S	S	*	*	H	α-helix	trans	-70.6	-38	175.4	-152.6	173.4	-154.6	0	0	110.8	D64 N71 N72	D64-E68 WeakPolarHBondContact O-CB 3.13Å; D64-E68 PolarHBondContact O-N 3.15Å; E68-N71 PolarHBondContact O-N 3.32Å; E68-N72 VanDerWaalsContact O-CB 3.26Å; E68-N72 WeakPolarHBondContact O-CB 3.49Å; E68-N72 VanDerWaalsContact O-CG 3.23Å; E68-N72 PolarHBondContact O-N 2.94Å; E68-N72 PolarHBondContact O-ND2 3.34Å; E68-N72 VanDerWaalsContact O-ND2 3.1Å
69	A	45.2	Very low	45.2	Very low	43 Å²	43	109.4 Å²	109.4	36%	0.355	57%	0.567	S	S	.	*	H	α-helix	trans	-66	-40.1	170.1	0	0	0	0	0	112.2	L65 M66 N72 I73	L65-A69 WeakPolarHBondContact O-CB 3.3Å; L65-A69 PolarHBondContact O-N 3.01Å; M66-A69 PolarHBondContact O-N 3.46Å; A69-N72 PolarHBondContact O-N 2.85Å; A69-I73 VanDerWaalsContact O-CB 3.23Å; A69-I73 WeakPolarHBondContact O-CB 3.34Å; A69-I73 VanDerWaalsContact O-CD1 3.3Å; A69-I73 WeakPolarHBondContact O-CD1 3.44Å; A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 2.92Å
70	V	50.3	Low	44.4	Very low	89 Å²	89	109.3 Å²	109.3	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-66.8	-38.9	176	166.3	0	0	0	0	111	M66 L67 I73 K74	M66-V70 VanDerWaalsContact O-CB 3.3Å; M66-V70 WeakPolarHBondContact O-CB 3.48Å; M66-V70 WeakPolarHBondContact O-CG2 3.48Å; M66-V70 PolarHBondContact O-N 3.42Å; L67-V70 PolarHBondContact O-N 3.43Å; V70-I73 PolarHBondContact O-N 3.29Å; V70-K74 WeakPolarHBondContact O-CB 3.4Å; V70-K74 PolarHBondContact O-N 3.34Å
71	N	47.3	Very low	43.7	Very low	90 Å²	90	112.3 Å²	112.3	48%	0.481	58%	0.582	S	S	.	*	H	α-helix	trans	-69.9	-39.3	175.1	-72.8	-28.2	0	0	0	111.9	L67 E68 K74	L67-N71 WeakPolarHBondContact O-CB 3.18Å; L67-N71 PolarHBondContact O-N 2.97Å; L67-N71 PolarHBondContact O-ND2 2.95Å; E68-N71 PolarHBondContact O-N 3.32Å; N71-K74 VanDerWaalsContact O-CB 3.3Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 3.34Å
72	N	43.6	Very low	43.2	Very low	106 Å²	106	109.6 Å²	109.6	57%	0.567	57%	0.573	S	S	*	*	H	α-helix	trans	-71.2	-29.4	173.8	-74.2	-33.6	0	0	0	112.9	E68 A69 A76	E68-N72 VanDerWaalsContact O-CB 3.26Å; E68-N72 WeakPolarHBondContact O-CB 3.49Å; E68-N72 VanDerWaalsContact O-CG 3.23Å; E68-N72 PolarHBondContact O-N 2.94Å; E68-N72 PolarHBondContact O-ND2 3.34Å; E68-N72 VanDerWaalsContact O-ND2 3.1Å; A69-N72 PolarHBondContact O-N 2.85Å; N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 2.83Å
73	I	42.9	Very low	42.6	Very low	93 Å²	93	107 Å²	107	48%	0.477	57%	0.574	S	S	.	*	H	α-helix	trans	-72.4	-31.3	171.6	-72	163.3	0	0	0	110.5	A69 V70 D75 A76 M77	A69-I73 VanDerWaalsContact O-CB 3.23Å; A69-I73 WeakPolarHBondContact O-CB 3.34Å; A69-I73 VanDerWaalsContact O-CD1 3.3Å; A69-I73 WeakPolarHBondContact O-CD1 3.44Å; A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 2.92Å; V70-I73 PolarHBondContact O-N 3.29Å; I73-D75 PolarHBondContact O-N 2.91Å; I73-A76 CarbonylContact O-C 3.49Å; I73-A76 PolarHBondContact O-N 3.02Å; I73-A76 VanDerWaalsContact O-N 3.11Å; I73-M77 HydrophobicContact CG2-CG 3.75Å; I73-M77 HydrophobicContact CG2-SD 4.26Å; I73-M77 WeakPolarHBondContact O-CB 3.26Å; I73-M77 VanDerWaalsContact O-CG 3.27Å; I73-M77 WeakPolarHBondContact O-CG 3.44Å; I73-M77 PolarHBondContact O-N 3.46Å
74	K	43.3	Very low	42.4	Very low	159 Å²	159	105.3 Å²	105.3	69%	0.691	58%	0.575	S	S	*	*	H	α-helix	trans	-60.5	-33.3	176.3	-156.3	178.3	-176.8	-179.6	0	112.5	V70 N71	V70-K74 WeakPolarHBondContact O-CB 3.4Å; V70-K74 PolarHBondContact O-N 3.34Å; N71-K74 VanDerWaalsContact O-CB 3.3Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 3.34Å
75	D	41.8	Very low	42.2	Very low	150 Å²	150	102.1 Å²	102.1	80%	0.802	56%	0.56	S	S	*	*	H	α-helix	trans	-90.1	-12.7	176.8	-68.5	-25.8	0	0	0	113.6	I73	I73-D75 PolarHBondContact O-N 2.91Å
76	A	36.9	Very low	41.7	Very low	75 Å²	75	103.8 Å²	103.8	62%	0.62	57%	0.574	S	S	*	*	H	α-helix	trans	-114.8	3.6	-179.1	0	0	0	0	0	114.6	N72 I73 P78	N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 2.83Å; I73-A76 CarbonylContact O-C 3.49Å; I73-A76 PolarHBondContact O-N 3.02Å; I73-A76 VanDerWaalsContact O-N 3.11Å; A76-P78 WeakPolarHBondContact O-CD 3.38Å
77	M	33	Very low	41.7	Very low	114 Å²	114	106.6 Å²	106.6	56%	0.562	58%	0.579	S	S	*	*			trans	-67.5	115.9	176.6	-94.9	176.3	60.7	0	0	109.7	I73 K79	I73-M77 HydrophobicContact CG2-CG 3.75Å; I73-M77 HydrophobicContact CG2-SD 4.26Å; I73-M77 WeakPolarHBondContact O-CB 3.26Å; I73-M77 VanDerWaalsContact O-CG 3.27Å; I73-M77 WeakPolarHBondContact O-CG 3.44Å; I73-M77 PolarHBondContact O-N 3.46Å; M77-K79 PolarHBondContact O-N 3.39Å
78	P	30.4	Very low	41.4	Very low	95 Å²	95	109.7 Å²	109.7	62%	0.617	59%	0.591	S	S	*	*			trans	-55.2	137.7	152.3	27	-31.4	0	0	0	105.6	A76 M80	A76-P78 WeakPolarHBondContact O-CD 3.38Å; P78-M80 PolarHBondContact O-N 2.82Å
79	K	35.3	Very low	41	Very low	180 Å²	180	111.1 Å²	111.1	78%	0.783	60%	0.602	S	S	*	*			trans	-51.5	90.5	172.5	-68.4	176.9	179.9	176.1	0	108	M77 Q81	M77-K79 PolarHBondContact O-N 3.39Å; K79-Q81 HydrophobicContact CB-CG 4.29Å; K79-Q81 PolarHBondContact O-N 3.25Å
80	M	34.7	Very low	40.7	Very low	153 Å²	153	114.8 Å²	114.8	75%	0.754	62%	0.615	S	S	*	*			trans	-73.7	67.6	162.9	-76.3	-168.4	-172.8	0	0	105.4	P78 I82	P78-M80 PolarHBondContact O-N 2.82Å; M80-I82 PolarHBondContact O-N 3Å; M80-I82 VanDerWaalsContact O-N 3.15Å
81	Q	34.7	Very low	40.2	Very low	151 Å²	151	117.8 Å²	117.8	71%	0.706	63%	0.628	S	S	*	*			trans	-54.6	115.6	155.1	-79	171.1	-30.3	0	0	104.1	K79 G83	K79-Q81 HydrophobicContact CB-CG 4.29Å; K79-Q81 PolarHBondContact O-N 3.25Å; Q81-G83 PolarHBondContact O-N 2.93Å
82	I	44.3	Very low	39.9	Very low	82 Å²	82	119.2 Å²	119.2	42%	0.421	64%	0.639	S	S	.	*			trans	-51.1	107.3	146.3	-64.6	166.4	0	0	0	102.3	M80 A84 K483	M80-I82 PolarHBondContact O-N 3Å; M80-I82 VanDerWaalsContact O-N 3.15Å; I82-A84 PolarHBondContact O-N 2.86Å; I82-K483 HydrophobicContact CD1-CD 4.44Å; I82-K483 HydrophobicContact CD1-CG 4.42Å
83	G	34.8	Very low	39.9	Very low	55 Å²	55	117 Å²	117	57%	0.567	64%	0.642	S	S	*	*			trans	-53.9	122.4	171.8	0	0	0	0	0	105	Q81	Q81-G83 PolarHBondContact O-N 2.93Å
84	A	43.3	Very low	40.3	Very low	66 Å²	66	121.4 Å²	121.4	55%	0.545	66%	0.661	S	S	.	*			trans	-44.3	132.5	165.2	0	0	0	0	0	106.1	I82 V86	I82-A84 PolarHBondContact O-N 2.86Å; A84-V86 PolarHBondContact O-N 2.81Å; A84-V86 VanDerWaalsContact O-N 3.12Å
85	P	47.8	Very low	41.1	Very low	34 Å²	34	119.7 Å²	119.7	22%	0.221	65%	0.65	C	S	.	*			trans	-50.9	131	-169.9	-8.7	11.3	0	0	0	108.5	R87 Y298 T299 Y376	P85-R87 PolarHBondContact O-N 2.7Å; P85-Y298 VanDerWaalsContact C-OH 3.24Å; P85-Y298 WeakPolarHBondContact CA-OH 3.32Å; P85-Y298 WeakPolarHBondContact CB-OH 3.34Å; P85-Y298 WeakPolarHBondContact CD-OH 3.27Å; P85-Y298 WeakPolarHBondContact CG-OH 3.42Å; P85-Y298 PolarHBondContact O-OH 3.03Å; P85-T299 HydrophobicContact CG-CG2 4.35Å; P85-Y376 HydrophobicContact CB-CE1 4.24Å; P85-Y376 HydrophobicContact CG-CD1 4.48Å; P85-Y376 HydrophobicContact CG-CE1 3.73Å
86	V	45.7	Very low	42.6	Very low	136 Å²	136	117.1 Å²	117.1	82%	0.824	64%	0.641	S	S	*	*			trans	-67.2	112.2	178.8	178.9	0	0	0	0	105.2	A84 Q88	A84-V86 PolarHBondContact O-N 2.81Å; A84-V86 VanDerWaalsContact O-N 3.12Å; V86-Q88 PolarHBondContact O-N 3.23Å
87	R	45.4	Very low	44.8	Very low	161 Å²	161	116.8 Å²	116.8	61%	0.608	63%	0.634	S	S	*	*			trans	-49.1	114.4	172.9	-170.3	178.1	-172.7	-175.2	0.3	106.7	P85 N89	P85-R87 PolarHBondContact O-N 2.7Å; R87-N89 PolarHBondContact O-N 2.58Å
88	Q	42.5	Very low	47.6	Very low	154 Å²	154	115.9 Å²	115.9	72%	0.72	63%	0.631	S	S	*	*			trans	-63.9	113.7	165	-74.8	-173.2	-11	0	0	104	V86 I90	V86-Q88 PolarHBondContact O-N 3.23Å; Q88-I90 PolarHBondContact O-N 3.27Å
89	N	37.8	Very low	50.6	Low	148 Å²	148	118.8 Å²	118.8	79%	0.791	64%	0.636	S	S	*	*			trans	-64.2	82.7	173.6	-79.4	-22	0	0	0	107.2	R87 D91	R87-N89 PolarHBondContact O-N 2.58Å; N89-D91 PolarHBondContact O-N 3.12Å
90	I	38.5	Very low	53.5	Low	119 Å²	119	112.1 Å²	112.1	61%	0.61	62%	0.618	S	S	*	*			trans	-70.9	115.6	161.5	-57.4	177.7	0	0	0	104	Q88 V92	Q88-I90 PolarHBondContact O-N 3.27Å; I90-V92 HydrophobicContact CB-CG2 4.34Å; I90-V92 HydrophobicContact CG2-CG2 3.78Å; I90-V92 PolarHBondContact O-N 3.36Å
91	D	39.1	Very low	56.5	Low	152 Å²	152	110.5 Å²	110.5	81%	0.813	61%	0.605	S	S	*	*			trans	-64.6	67.8	-180	-158.8	8.8	0	0	0	110.1	N89 G93	N89-D91 PolarHBondContact O-N 3.12Å; D91-G93 PolarHBondContact O-N 2.73Å
92	V	41	Very low	59.5	Low	120 Å²	120	104.9 Å²	104.9	73%	0.727	58%	0.577	S	S	*	*			trans	-91.5	84.6	171.8	-171.6	0	0	0	0	106	I90 E94	I90-V92 HydrophobicContact CB-CG2 4.34Å; I90-V92 HydrophobicContact CG2-CG2 3.78Å; I90-V92 PolarHBondContact O-N 3.36Å; V92-E94 PolarHBondContact O-N 3.02Å
93	G	44.5	Very low	62.1	Low	61 Å²	61	104.1 Å²	104.1	63%	0.629	58%	0.576	S	S	*	*			trans	15.4	98.5	173.9	0	0	0	0	0	115.1	D91 R95	D91-G93 PolarHBondContact O-N 2.73Å; G93-R95 PolarHBondContact O-N 2.66Å
94	E	50.7	Low	64.9	Low	185 Å²	185	105.9 Å²	105.9	86%	0.864	59%	0.586	S	S	*	*			trans	-36.8	100.7	-179.2	-69.1	-176.2	153.2	0	0	111.7	V92 P96	V92-E94 PolarHBondContact O-N 3.02Å; E94-P96 WeakPolarHBondContact O-CD 3.48Å; E94-P96 VanDerWaalsContact O-N 3.16Å
95	R	61.7	Low	67.5	Low	122 Å²	122	106.8 Å²	106.8	46%	0.46	59%	0.593	S	S	.	*			trans	-60.7	122.4	165.4	-78.4	-171.7	-176.3	156.4	10.7	105.9	G93 C97 E271	G93-R95 PolarHBondContact O-N 2.66Å; R95-C97 PolarHBondContact O-N 3.16Å; R95-C97 VanDerWaalsContact O-N 3.08Å; R95-E271 IonicContact CZ-OE1 3.24Å; R95-E271 IonicContact CZ-OE2 3.17Å; R95-E271 IonicContact NH1-OE1 3.83Å; R95-E271 PolarHBondContact NH1-OE1 2.9Å; R95-E271 IonicContact NH1-OE2 3.55Å; R95-E271 PolarHBondContact NH1-OE2 3.44Å; R95-E271 IonicContact NH2-OE1 3.78Å; R95-E271 PolarHBondContact NH2-OE1 3.3Å
96	P	72.2	Confident	69.8	Low	96 Å²	96	108 Å²	108	62%	0.623	60%	0.596	S	S	*	*			trans	-57.6	122.3	-177.3	19.9	-30	0	0	0	109.1	E94 L98	E94-P96 WeakPolarHBondContact O-CD 3.48Å; E94-P96 VanDerWaalsContact O-N 3.16Å; P96-L98 VanDerWaalsContact C-N 3.28Å; P96-L98 HydrophobicContact CB-CD2 4.29Å; P96-L98 PolarHBondContact O-N 3.04Å
97	C	84.4	Confident	72.3	Confident	69 Å²	69	102.9 Å²	102.9	47%	0.466	56%	0.563	S	S	.	*			trans	-66.9	88	174	163.1	0	0	0	0	108.3	R95 C181	R95-C97 PolarHBondContact O-N 3.16Å; R95-C97 VanDerWaalsContact O-N 3.08Å; C97-C181 HydrophobicContact CB-CB 4.04Å; C97-C181 WeakPolarHBondContact CB-SG 3.49Å; C97-C181 WeakPolarHBondContact SG-CB 3.13Å; C97-C181 CovalentContact SG-SG 2.02Å; C97-C181 PolarHBondContact SG-SG 2.96Å
98	L	91.3	Very high	74.8	Confident	95 Å²	95	100.3 Å²	100.3	50%	0.497	56%	0.556	S	S	.	*			trans	-73.1	143.2	179.9	-60.7	179	0	0	0	109.9	P96 R180	P96-L98 VanDerWaalsContact C-N 3.28Å; P96-L98 HydrophobicContact CB-CD2 4.29Å; P96-L98 PolarHBondContact O-N 3.04Å; L98-R180 HydrophobicContact CB-CB 3.92Å; L98-R180 CarbonylContact O-C 3.57Å; L98-R180 VanDerWaalsContact O-CB 3.29Å; L98-R180 WeakPolarHBondContact O-CB 3.25Å
99	Q	93.4	Very high	77.4	Confident	156 Å²	156	94.7 Å²	94.7	73%	0.729	53%	0.534	S	S	*	.			trans	-79.8	158.8	177.1	-64.3	-61.3	-36.2	0	0	111.8	R180	Q99-R180 PolarHBondContact O-NH1 3.39Å; Q99-R180 VanDerWaalsContact O-NH1 3.14Å
100	G	95.7	Very high	80.2	Confident	39 Å²	39	89.9 Å²	89.9	40%	0.402	51%	0.509	S	S	.	.	S	Bend	trans	80.4	-157.2	176.9	0	0	0	0	0	114.2	R180	G100-R180 PolarHBondContact O-N 3.14Å
101	Y	97.9	Very high	82.9	Confident	120 Å²	120	87 Å²	87	47%	0.471	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-119.1	148.1	-172.7	-60.2	-90.9	0	0	0	111.4	K177 F178 K179 R180	Y101-K177 HydrophobicContact CD1-CB 3.41Å; Y101-K177 VanDerWaalsContact CD1-CB 3.41Å; Y101-K177 HydrophobicContact CE1-CB 3.97Å; Y101-K177 HydrophobicContact CG-CB 3.8Å; Y101-F178 CarbonylContact C-O 3.19Å; Y101-F178 WeakPolarHBondContact CA-O 3.38Å; Y101-F178 WeakPolarHBondContact CB-O 3.33Å; Y101-K179 HydrophobicContact CD1-CG 4.02Å; Y101-K179 HydrophobicContact CE1-CG 3.55Å; Y101-R180 PolarHBondContact O-NH1 2.92Å; Y101-R180 PolarHBondContact O-NH2 2.81Å
102	Y	97.8	Very high	85.7	Confident	33 Å²	33	84.6 Å²	84.6	13%	0.129	48%	0.482	C	S	.	.			trans	-57.7	138.1	171.1	-68.8	-86.6	0	0	0	110.7	E106 L107 F178 K179 R180 L184 I215	Y102-E106 HydrophobicContact CD1-CB 4.23Å; Y102-L107 HydrophobicContact CD1-CD2 4.47Å; Y102-L107 HydrophobicContact CG-CD2 4.29Å; Y102-F178 HydrophobicContact CD2-CB 4.19Å; Y102-F178 WeakPolarHBondContact CD2-O 3.5Å; Y102-F178 PolarHBondContact N-O 3.26Å; Y102-K179 WeakPolarHBondContact CE2-O 2.83Å; Y102-R180 HydrophobicContact CD1-CG 4.13Å; Y102-R180 HydrophobicContact CD2-CG 3.87Å; Y102-R180 HydrophobicContact CE1-CG 4.14Å; Y102-R180 HydrophobicContact CE2-CB 4.22Å; Y102-R180 HydrophobicContact CE2-CG 3.86Å; Y102-R180 HydrophobicContact CG-CG 4Å; Y102-L184 HydrophobicContact CD2-CD1 4Å; Y102-L184 HydrophobicContact CD2-CG 4.26Å; Y102-L184 HydrophobicContact CE2-CB 4.2Å; Y102-L184 HydrophobicContact CE2-CD1 3.87Å; Y102-L184 HydrophobicContact CE2-CG 3.69Å; Y102-L184 PolarHBondContact OH-N 3.48Å; Y102-I215 HydrophobicContact CD1-CD1 3.79Å; Y102-I215 HydrophobicContact CE1-CD1 3.63Å
103	T	97.7	Very high	88.4	Confident	66 Å²	66	81.6 Å²	81.6	41%	0.405	46%	0.458	S	S	.	.			trans	-83.8	160.5	173.7	63.4	0	0	0	0	110.7	A105 E106 L107	T103-A105 PolarHBondContact O-N 3.4Å; T103-E106 VanDerWaalsContact CB-OE2 3.31Å; T103-E106 WeakPolarHBondContact CB-OE2 3.48Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.34Å; T103-E106 PolarHBondContact N-OE2 3.4Å; T103-E106 PolarHBondContact O-N 3.19Å; T103-E106 VanDerWaalsContact O-N 3.15Å; T103-E106 WeakPolarHBondContact OG1-CG 3.27Å; T103-E106 PolarHBondContact OG1-N 2.96Å; T103-E106 PolarHBondContact OG1-OE2 2.94Å; T103-L107 PolarHBondContact O-N 3.19Å; T103-L107 VanDerWaalsContact O-N 3.1Å
104	A	94.9	Very high	90.9	Very high	92 Å²	92	81.1 Å²	81.1	76%	0.76	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.1	174.1	0	0	0	0	0	112.8	L107 K108	A104-L107 CarbonylContact O-C 3.52Å; A104-L107 PolarHBondContact O-N 3.38Å; A104-K108 PolarHBondContact O-N 3.11Å
105	A	96.5	Very high	93.1	Very high	84 Å²	84	78.6 Å²	78.6	69%	0.694	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-38.5	176.3	0	0	0	0	0	112.3	T103 L107 K108	T103-A105 PolarHBondContact O-N 3.4Å; A105-L107 VanDerWaalsContact C-N 3.3Å; A105-K108 WeakPolarHBondContact O-CB 3.47Å; A105-K108 PolarHBondContact O-N 3.19Å
106	E	97.2	Very high	94.8	Very high	61 Å²	61	75.3 Å²	75.3	29%	0.285	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.2	173.5	-74.5	161.3	110.1	0	0	112.1	Y102 T103 K108 R180 I215	Y102-E106 HydrophobicContact CD1-CB 4.23Å; T103-E106 VanDerWaalsContact CB-OE2 3.31Å; T103-E106 WeakPolarHBondContact CB-OE2 3.48Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.34Å; T103-E106 PolarHBondContact N-OE2 3.4Å; T103-E106 PolarHBondContact O-N 3.19Å; T103-E106 VanDerWaalsContact O-N 3.15Å; T103-E106 WeakPolarHBondContact OG1-CG 3.27Å; T103-E106 PolarHBondContact OG1-N 2.96Å; T103-E106 PolarHBondContact OG1-OE2 2.94Å; E106-K108 VanDerWaalsContact C-N 3.3Å; E106-K108 PolarHBondContact O-N 2.93Å; E106-R180 VanDerWaalsContact CD-NH2 3.31Å; E106-R180 IonicContact OE1-CZ 2.68Å; E106-R180 IonicContact OE1-NE 2.73Å; E106-R180 PolarHBondContact OE1-NE 2.99Å; E106-R180 IonicContact OE1-NH2 3.75Å; E106-R180 PolarHBondContact OE1-NH2 3.21Å; E106-R180 VanDerWaalsContact OE1-NH2 3.16Å; E106-R180 IonicContact OE2-CZ 3.47Å; E106-R180 IonicContact OE2-NE 3.69Å; E106-R180 IonicContact OE2-NH2 3.38Å; E106-R180 PolarHBondContact OE2-NH2 3.01Å; E106-I215 HydrophobicContact CB-CD1 4.41Å; E106-I215 WeakPolarHBondContact O-CD1 3.09Å
107	L	97.8	Very high	95.9	Very high	28 Å²	28	75.3 Å²	75.3	15%	0.147	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	18.8	179.4	-62.3	177.5	0	0	0	113.9	Y102 T103 A104 A105 F178 L184 P213 I215 L216 E288	Y102-L107 HydrophobicContact CD1-CD2 4.47Å; Y102-L107 HydrophobicContact CG-CD2 4.29Å; T103-L107 PolarHBondContact O-N 3.19Å; T103-L107 VanDerWaalsContact O-N 3.1Å; A104-L107 CarbonylContact O-C 3.52Å; A104-L107 PolarHBondContact O-N 3.38Å; A105-L107 VanDerWaalsContact C-N 3.3Å; L107-F178 HydrophobicContact CD1-CD2 4.18Å; L107-L184 HydrophobicContact CD2-CD1 4.45Å; L107-P213 HydrophobicContact CB-CB 4.38Å; L107-P213 HydrophobicContact CB-CG 4.2Å; L107-P213 HydrophobicContact CD2-CB 4.08Å; L107-P213 HydrophobicContact CD2-CG 4.08Å; L107-I215 HydrophobicContact CD2-CD1 4.21Å; L107-L216 HydrophobicContact CD2-CD1 4.42Å; L107-E288 HydrophobicContact CD1-CG 4.48Å; L107-E288 HydrophobicContact CD2-CG 4.42Å
108	K	97.5	Very high	96.4	Very high	106 Å²	106	75.7 Å²	75.7	46%	0.461	43%	0.431	S	S	.	.			trans	-61.8	138.4	175.7	-168.7	-178.4	177.7	-172.9	0	110.5	A104 A105 E106 D112 P213 A214	A104-K108 PolarHBondContact O-N 3.11Å; A105-K108 WeakPolarHBondContact O-CB 3.47Å; A105-K108 PolarHBondContact O-N 3.19Å; E106-K108 VanDerWaalsContact C-N 3.3Å; E106-K108 PolarHBondContact O-N 2.93Å; K108-D112 VanDerWaalsContact CE-CG 3.46Å; K108-D112 WeakPolarHBondContact CE-OD1 3.41Å; K108-D112 VanDerWaalsContact CE-OD2 3.28Å; K108-D112 WeakPolarHBondContact CE-OD2 3.48Å; K108-D112 IonicContact NZ-OD1 2.71Å; K108-D112 PolarHBondContact NZ-OD1 3.4Å; K108-D112 IonicContact NZ-OD2 3.35Å; K108-D112 PolarHBondContact NZ-OD2 3.43Å; K108-P213 WeakPolarHBondContact O-CA 3.33Å; K108-A214 PolarHBondContact O-N 2.77Å
109	P	97.7	Very high	96.7	Very high	37 Å²	37	77.9 Å²	77.9	24%	0.24	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-65.1	164.8	179.6	27.6	-37.2	0	0	0	113.3	L111 Y210 S212	P109-L111 VanDerWaalsContact C-N 3.3Å; P109-L111 WeakPolarHBondContact CG-O 3.27Å; P109-L111 PolarHBondContact O-N 2.81Å; P109-Y210 VanDerWaalsContact CB-O 3.3Å; P109-Y210 WeakPolarHBondContact CB-O 3.13Å; P109-S212 VanDerWaalsContact CA-O 3.26Å; P109-S212 WeakPolarHBondContact CA-O 3.3Å
110	V	95.8	Very high	96.9	Very high	47 Å²	47	72 Å²	72	29%	0.285	42%	0.422	S	S	.	.	S	Bend	trans	-59.1	-42.6	175.7	177.2	0	0	0	0	111.6	L209 S212 A214 L217 I245	V110-L209 HydrophobicContact CB-CD2 4.25Å; V110-L209 HydrophobicContact CG1-CD2 3.93Å; V110-L209 PolarHBondContact N-O 2.86Å; V110-S212 PolarHBondContact N-O 3.12Å; V110-A214 HydrophobicContact CG2-CB 4.02Å; V110-L217 HydrophobicContact CG2-CB 4.09Å; V110-L217 HydrophobicContact CG2-CD2 3.94Å; V110-L217 HydrophobicContact CG2-CG 4.45Å; V110-I245 HydrophobicContact CG1-CD1 3.98Å; V110-I245 HydrophobicContact CG2-CD1 4.08Å
111	L	97.1	Very high	97	Very high	59 Å²	59	72.6 Å²	72.6	31%	0.309	42%	0.418	S	S	.	.	S	Bend	trans	-124.9	142.5	175.9	-63.9	179.8	0	0	0	110.4	P109 L209 Y210 F243	P109-L111 VanDerWaalsContact C-N 3.3Å; P109-L111 WeakPolarHBondContact CG-O 3.27Å; P109-L111 PolarHBondContact O-N 2.81Å; L111-L209 HydrophobicContact CB-CB 4.49Å; L111-L209 HydrophobicContact CD1-CB 3.99Å; L111-L209 HydrophobicContact CD1-CD1 3.93Å; L111-L209 HydrophobicContact CD1-CG 4.45Å; L111-L209 HydrophobicContact CG-CB 4.28Å; L111-L209 PolarHBondContact N-O 2.87Å; L111-L209 VanDerWaalsContact N-O 3.14Å; L111-Y210 HydrophobicContact CB-CD1 3.77Å; L111-Y210 HydrophobicContact CB-CE1 3.7Å; L111-Y210 HydrophobicContact CD1-CE1 4.38Å; L111-Y210 WeakPolarHBondContact O-CD1 3.35Å; L111-F243 HydrophobicContact CD1-CD1 4.06Å; L111-F243 HydrophobicContact CD1-CE1 3.9Å
112	D	97.3	Very high	97	Very high	100 Å²	100	67.1 Å²	67.1	54%	0.535	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-77.2	130.4	167.6	-69.2	-42.3	0	0	0	109.2	K108 Y210	K108-D112 VanDerWaalsContact CE-CG 3.46Å; K108-D112 WeakPolarHBondContact CE-OD1 3.41Å; K108-D112 VanDerWaalsContact CE-OD2 3.28Å; K108-D112 WeakPolarHBondContact CE-OD2 3.48Å; K108-D112 IonicContact NZ-OD1 2.71Å; K108-D112 PolarHBondContact NZ-OD1 3.4Å; K108-D112 IonicContact NZ-OD2 3.35Å; K108-D112 PolarHBondContact NZ-OD2 3.43Å; D112-Y210 WeakPolarHBondContact O-CE1 3.2Å
113	R	97.8	Very high	97	Very high	58 Å²	58	65.9 Å²	65.9	22%	0.219	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-67.6	129.1	175.8	-176.1	178.4	-74.6	151.1	-2.4	109.1	H161 Y210 Y284	R113-H161 VanDerWaalsContact CD-O 3.24Å; R113-H161 WeakPolarHBondContact CD-O 3.38Å; R113-H161 WeakPolarHBondContact CG-O 3.41Å; R113-H161 PolarHBondContact NE-O 3.5Å; R113-Y210 HydrophobicContact CB-CD1 3.98Å; R113-Y210 HydrophobicContact CB-CD2 4.48Å; R113-Y210 HydrophobicContact CB-CE1 4.45Å; R113-Y210 HydrophobicContact CB-CG 4.03Å; R113-Y210 HydrophobicContact CG-CD2 4.37Å; R113-Y210 HydrophobicContact CG-CG 4.41Å; R113-Y284 PolarHBondContact NH1-OH 3.12Å
114	P	97.6	Very high	97	Very high	50 Å²	50	63.9 Å²	63.9	33%	0.325	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-64.4	155	176.5	24.7	-31.6	0	0	0	111.1	Q116 H161	P114-Q116 PolarHBondContact O-N 3.1Å; P114-Q116 PolarHBondContact O-NE2 2.04Å; P114-H161 HydrophobicContact CG-CB 3.89Å
115	P	96.3	Very high	97.2	Very high	133 Å²	133	59.6 Å²	59.6	86%	0.864	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-53.6	135.3	171.9	-24.5	34.3	0	0	0	111.3
116	Q	96	Very high	97.3	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	34%	0.342	C	S	.	.			trans	-104.7	145.6	-179.9	-59.9	-57.5	-68.8	0	0	110.7	P114 S159 H161 D163	P114-Q116 PolarHBondContact O-N 3.1Å; P114-Q116 PolarHBondContact O-NE2 2.04Å; Q116-S159 PolarHBondContact OE1-OG 3.03Å; Q116-S159 VanDerWaalsContact OE1-OG 3.08Å; Q116-H161 VanDerWaalsContact CD-O 3.24Å; Q116-H161 PolarHBondContact NE2-O 3.21Å; Q116-H161 PolarHBondContact OE1-O 2.88Å; Q116-D163 VanDerWaalsContact CB-OD2 3.3Å; Q116-D163 WeakPolarHBondContact CB-OD2 3.43Å; Q116-D163 HydrophobicContact CG-CB 4.38Å; Q116-D163 WeakPolarHBondContact CG-OD2 3.43Å
117	D	96.3	Very high	97.3	Very high	95 Å²	95	60.4 Å²	60.4	51%	0.508	34%	0.341	S	S	.	.			trans	-78.3	118.4	169.6	174.9	9.2	0	0	0	109.5	N119 A120 A123	D117-N119 PolarHBondContact O-N 3.25Å; D117-N119 VanDerWaalsContact O-N 3.16Å; D117-N119 WeakPolarHBondContact OD1-CB 3.48Å; D117-N119 PolarHBondContact OD1-N 2.96Å; D117-A120 HydrophobicContact CB-CB 4.04Å; D117-A120 WeakPolarHBondContact O-CB 3.1Å; D117-A120 PolarHBondContact O-N 2.84Å; D117-A120 VanDerWaalsContact O-N 3.09Å; D117-A123 VanDerWaalsContact O-CB 3.3Å; D117-A123 WeakPolarHBondContact O-CB 3.21Å
118	S	95.3	Very high	97.3	Very high	78 Å²	78	61.1 Å²	61.1	55%	0.545	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.6	-179.5	58.6	0	0	0	0	114
119	N	96.3	Very high	97.2	Very high	141 Å²	141	63.5 Å²	63.5	75%	0.754	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-5.6	178.6	-59.2	-37.9	0	0	0	112.9	D117	D117-N119 PolarHBondContact O-N 3.25Å; D117-N119 VanDerWaalsContact O-N 3.16Å; D117-N119 WeakPolarHBondContact OD1-CB 3.48Å; D117-N119 PolarHBondContact OD1-N 2.96Å
120	A	97.9	Very high	97	Very high	33 Å²	33	62.7 Å²	62.7	27%	0.273	35%	0.348	S	S	.	.	S	Bend	trans	-65.6	153.4	179.1	0	0	0	0	0	111.7	D117 G122 A123	D117-A120 HydrophobicContact CB-CB 4.04Å; D117-A120 WeakPolarHBondContact O-CB 3.1Å; D117-A120 PolarHBondContact O-N 2.84Å; D117-A120 VanDerWaalsContact O-N 3.09Å; A120-G122 PolarHBondContact O-N 2.9Å; A120-A123 HydrophobicContact CB-CB 4.44Å; A120-A123 VanDerWaalsContact O-CB 3.24Å; A120-A123 WeakPolarHBondContact O-CB 3.32Å; A120-A123 PolarHBondContact O-N 3.27Å
121	P	98.1	Very high	96.8	Very high	51 Å²	51	65 Å²	65	33%	0.331	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	126.9	175.5	-26.7	35.2	0	0	0	112.1	A123 F128 I158	P121-A123 PolarHBondContact O-N 3.43Å; P121-F128 HydrophobicContact CB-CD1 4.09Å; P121-F128 HydrophobicContact CB-CD2 3.83Å; P121-F128 HydrophobicContact CB-CE1 4.15Å; P121-F128 HydrophobicContact CB-CE2 3.9Å; P121-F128 HydrophobicContact CB-CG 3.95Å; P121-F128 HydrophobicContact CB-CZ 4.06Å; P121-F128 HydrophobicContact CG-CE2 4.29Å; P121-F128 HydrophobicContact CG-CZ 4.39Å; P121-I158 HydrophobicContact CB-CG1 4.37Å
122	G	98.1	Very high	96.6	Very high	4 Å²	4	70 Å²	70	4%	0.041	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	13	178.8	0	0	0	0	0	115.3	A120 G125 K126 R162	A120-G122 PolarHBondContact O-N 2.9Å; G122-G125 PolarHBondContact O-N 3Å; G122-K126 WeakPolarHBondContact CA-O 3.03Å; G122-R162 WeakPolarHBondContact O-CD 3.43Å; G122-R162 PolarHBondContact O-NH1 3.5Å
123	A	98.3	Very high	96.5	Very high	8 Å²	8	67.1 Å²	67.1	7%	0.066	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-54.7	141.8	178.3	0	0	0	0	0	112	D117 A120 P121 G125 K126	D117-A123 VanDerWaalsContact O-CB 3.3Å; D117-A123 WeakPolarHBondContact O-CB 3.21Å; A120-A123 HydrophobicContact CB-CB 4.44Å; A120-A123 VanDerWaalsContact O-CB 3.24Å; A120-A123 WeakPolarHBondContact O-CB 3.32Å; A120-A123 PolarHBondContact O-N 3.27Å; P121-A123 PolarHBondContact O-N 3.43Å; A123-G125 PolarHBondContact O-N 3.25Å; A123-G125 VanDerWaalsContact O-N 3.16Å; A123-K126 WeakPolarHBondContact O-CB 3.34Å; A123-K126 WeakPolarHBondContact O-CG 3.44Å; A123-K126 PolarHBondContact O-N 2.78Å
124	S	98	Very high	96.5	Very high	24 Å²	24	66.7 Å²	66.7	17%	0.168	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	54.7	28.7	-178.4	-56.5	0	0	0	0	115	K126 D163 L164 K318	S124-K126 VanDerWaalsContact C-N 3.33Å; S124-K126 PolarHBondContact O-N 2.98Å; S124-D163 CarbonylContact C-O 3.48Å; S124-D163 WeakPolarHBondContact CA-O 3.41Å; S124-D163 VanDerWaalsContact CA-OD1 3.27Å; S124-D163 WeakPolarHBondContact CA-OD1 3.37Å; S124-D163 WeakPolarHBondContact CB-OD1 3.31Å; S124-D163 PolarHBondContact N-O 3.31Å; S124-D163 PolarHBondContact OG-OD1 3.05Å; S124-L164 CarbonylContact O-C 3.56Å; S124-K318 VanDerWaalsContact O-CE 3.22Å; S124-K318 WeakPolarHBondContact O-CE 3.33Å; S124-K318 PolarHBondContact O-NZ 3.37Å
125	G	98.1	Very high	96.4	Very high	2 Å²	2	68.8 Å²	68.8	2%	0.021	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	78.5	8.9	178.8	0	0	0	0	0	115.4	G122 A123 D163 E315 F316	G122-G125 PolarHBondContact O-N 3Å; A123-G125 PolarHBondContact O-N 3.25Å; A123-G125 VanDerWaalsContact O-N 3.16Å; G125-D163 PolarHBondContact N-O 3.09Å; G125-E315 WeakPolarHBondContact O-CA 3.47Å; G125-F316 PolarHBondContact O-N 2.95Å
126	K	98.3	Very high	96.5	Very high	127 Å²	127	68.8 Å²	68.8	55%	0.552	38%	0.38	S	S	*	.			trans	-73.3	156.8	-178	-63.6	173.1	-174	170.7	0	111.8	G122 A123 S124 F128	G122-K126 WeakPolarHBondContact CA-O 3.03Å; A123-K126 WeakPolarHBondContact O-CB 3.34Å; A123-K126 WeakPolarHBondContact O-CG 3.44Å; A123-K126 PolarHBondContact O-N 2.78Å; S124-K126 VanDerWaalsContact C-N 3.33Å; S124-K126 PolarHBondContact O-N 2.98Å; K126-F128 PolarHBondContact O-N 2.81Å
127	A	98.3	Very high	96.5	Very high	34 Å²	34	69.3 Å²	69.3	28%	0.281	38%	0.383	S	S	.	.			trans	-59.1	128.9	173.3	0	0	0	0	0	112.4	E315	A127-E315 HydrophobicContact CB-CB 3.91Å; A127-E315 HydrophobicContact CB-CG 4.27Å
128	F	97.9	Very high	96.6	Very high	44 Å²	44	68.1 Å²	68.1	19%	0.193	37%	0.374	C	S	.	.			trans	-98.5	106.4	166	179.7	-140.5	0	0	0	110.3	P121 K126 T130 A154 R157 I158 T313	P121-F128 HydrophobicContact CB-CD1 4.09Å; P121-F128 HydrophobicContact CB-CD2 3.83Å; P121-F128 HydrophobicContact CB-CE1 4.15Å; P121-F128 HydrophobicContact CB-CE2 3.9Å; P121-F128 HydrophobicContact CB-CG 3.95Å; P121-F128 HydrophobicContact CB-CZ 4.06Å; P121-F128 HydrophobicContact CG-CE2 4.29Å; P121-F128 HydrophobicContact CG-CZ 4.39Å; K126-F128 PolarHBondContact O-N 2.81Å; F128-T130 HydrophobicContact CD1-CG2 3.99Å; F128-T130 HydrophobicContact CE1-CG2 3.73Å; F128-T130 HydrophobicContact CZ-CG2 4.17Å; F128-T130 PolarHBondContact O-N 2.93Å; F128-A154 HydrophobicContact CD1-CB 3.83Å; F128-A154 HydrophobicContact CE1-CB 4.36Å; F128-R157 HydrophobicContact CE1-CB 3.96Å; F128-I158 HydrophobicContact CB-CD1 4.05Å; F128-I158 HydrophobicContact CB-CG1 4.39Å; F128-I158 HydrophobicContact CD1-CD1 4.3Å; F128-I158 HydrophobicContact CD1-CG1 4.18Å; F128-T313 PolarHBondContact N-O 2.89Å
129	K	95.6	Very high	96.7	Very high	156 Å²	156	70.1 Å²	70.1	68%	0.678	37%	0.373	S	S	*	.			trans	-86.9	110.2	177.5	-63.9	-176.6	-178.8	-179.7	0	110.1	T131	K129-T131 VanDerWaalsContact C-N 3.33Å; K129-T131 HydrophobicContact CB-CG2 4.43Å; K129-T131 PolarHBondContact O-N 3.29Å
130	T	92.9	Very high	96.8	Very high	20 Å²	20	66.3 Å²	66.3	12%	0.123	35%	0.35	C	S	.	.			trans	-82.5	74.7	177.1	63.9	0	0	0	0	110.3	F128 K141 N151 F153 A154	F128-T130 HydrophobicContact CD1-CG2 3.99Å; F128-T130 HydrophobicContact CE1-CG2 3.73Å; F128-T130 HydrophobicContact CZ-CG2 4.17Å; F128-T130 PolarHBondContact O-N 2.93Å; T130-K141 PolarHBondContact OG1-NZ 3.17Å; T130-N151 PolarHBondContact OG1-ND2 3.37Å; T130-F153 HydrophobicContact CG2-CD1 3.8Å; T130-F153 HydrophobicContact CG2-CE1 4.03Å; T130-A154 HydrophobicContact CG2-CB 3.87Å
131	T	91.9	Very high	96.7	Very high	96 Å²	96	66.4 Å²	66.4	59%	0.589	35%	0.345	S	S	*	.			trans	-103.9	158.4	177.7	53.8	0	0	0	0	111.8	K129 L133	K129-T131 VanDerWaalsContact C-N 3.33Å; K129-T131 HydrophobicContact CB-CG2 4.43Å; K129-T131 PolarHBondContact O-N 3.29Å; T131-L133 PolarHBondContact O-N 3.4Å
132	N	92.4	Very high	96.6	Very high	163 Å²	163	68.6 Å²	68.6	87%	0.872	35%	0.351	S	S	*	.	S	Bend	trans	59.6	41	178	-53.8	-28.8	0	0	0	113.7
133	L	95.8	Very high	96.6	Very high	39 Å²	39	76.7 Å²	76.7	20%	0.204	38%	0.38	C	S	.	.			trans	-72.8	141.8	176.8	-58	-175.5	0	0	0	110.7	T131 E137 Q138 K141 F153	T131-L133 PolarHBondContact O-N 3.4Å; L133-E137 HydrophobicContact CB-CB 3.9Å; L133-E137 HydrophobicContact CD2-CB 4.32Å; L133-E137 HydrophobicContact CG-CB 4.49Å; L133-Q138 HydrophobicContact CB-CB 4.45Å; L133-K141 HydrophobicContact CD1-CB 4.32Å; L133-K141 HydrophobicContact CD1-CD 3.85Å; L133-F153 HydrophobicContact CD1-CE1 4.22Å; L133-F153 HydrophobicContact CD1-CZ 4.35Å; L133-F153 HydrophobicContact CD2-CE1 3.7Å; L133-F153 HydrophobicContact CD2-CZ 3.69Å
134	S	96.9	Very high	96.5	Very high	49 Å²	49	76.8 Å²	76.8	34%	0.343	38%	0.382	S	S	.	.			trans	-61.2	165.9	164.3	60.7	0	0	0	0	111.1	E136 E137 Q138	S134-E136 PolarHBondContact O-N 3.19Å; S134-E137 WeakPolarHBondContact CB-OE2 3.3Å; S134-E137 PolarHBondContact N-OE2 2.81Å; S134-E137 PolarHBondContact O-N 3.06Å; S134-E137 WeakPolarHBondContact OG-CB 3.47Å; S134-E137 VanDerWaalsContact OG-CD 3.28Å; S134-E137 WeakPolarHBondContact OG-CG 3.43Å; S134-E137 PolarHBondContact OG-N 3.36Å; S134-E137 PolarHBondContact OG-OE2 3.38Å; S134-Q138 WeakPolarHBondContact O-CB 3.46Å; S134-Q138 PolarHBondContact O-N 3.04Å
135	V	96.4	Very high	96.4	Very high	95 Å²	95	78.6 Å²	78.6	58%	0.576	39%	0.387	S	S	*	.	H	α-helix	trans	-61.2	-37.2	179.4	176.3	0	0	0	0	111	K139	V135-K139 WeakPolarHBondContact O-CG 3.4Å; V135-K139 PolarHBondContact O-N 3.34Å
136	E	97	Very high	96.2	Very high	133 Å²	133	82.4 Å²	82.4	62%	0.621	42%	0.419	S	S	*	.	H	α-helix	trans	-67	-45.5	177.1	-67.8	69	-152.4	0	0	111.8	S134 K139 E140	S134-E136 PolarHBondContact O-N 3.19Å; E136-K139 PolarHBondContact O-N 3.25Å; E136-E140 PolarHBondContact O-N 3.4Å
137	E	97.6	Very high	96	Very high	63 Å²	63	80.6 Å²	80.6	29%	0.294	41%	0.411	S	S	.	.	H	α-helix	trans	-66.3	-37.7	177.6	-73.6	170.7	129.4	0	0	112.2	L133 S134 K139 E140 K141 F153	L133-E137 HydrophobicContact CB-CB 3.9Å; L133-E137 HydrophobicContact CD2-CB 4.32Å; L133-E137 HydrophobicContact CG-CB 4.49Å; S134-E137 WeakPolarHBondContact CB-OE2 3.3Å; S134-E137 PolarHBondContact N-OE2 2.81Å; S134-E137 PolarHBondContact O-N 3.06Å; S134-E137 WeakPolarHBondContact OG-CB 3.47Å; S134-E137 VanDerWaalsContact OG-CD 3.28Å; S134-E137 WeakPolarHBondContact OG-CG 3.43Å; S134-E137 PolarHBondContact OG-N 3.36Å; S134-E137 PolarHBondContact OG-OE2 3.38Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 2.8Å; E137-E140 WeakPolarHBondContact O-CB 3.38Å; E137-E140 PolarHBondContact O-N 2.75Å; E137-K141 WeakPolarHBondContact O-CB 3.14Å; E137-K141 PolarHBondContact O-N 2.82Å; E137-F153 HydrophobicContact CB-CE2 3.65Å; E137-F153 HydrophobicContact CB-CZ 3.85Å; E137-F153 HydrophobicContact CG-CE2 3.86Å; E137-F153 HydrophobicContact CG-CZ 3.99Å
138	Q	97.1	Very high	95.9	Very high	70 Å²	70	79.6 Å²	79.6	33%	0.327	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.7	-176.7	58.6	40.6	0	0	111	L133 S134 K141 E142	L133-Q138 HydrophobicContact CB-CB 4.45Å; S134-Q138 WeakPolarHBondContact O-CB 3.46Å; S134-Q138 PolarHBondContact O-N 3.04Å; Q138-K141 PolarHBondContact O-N 3.36Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.18Å; Q138-E142 PolarHBondContact NE2-OE1 3.04Å; Q138-E142 WeakPolarHBondContact O-CG 3.24Å; Q138-E142 PolarHBondContact O-N 3.39Å
139	K	97.4	Very high	95.8	Very high	121 Å²	121	79.1 Å²	79.1	53%	0.526	40%	0.402	S	S	.	.	H	α-helix	trans	-66.7	-34.9	173.5	-71.8	174.3	-177.9	174.4	0	113	V135 E136 E137 R143	V135-K139 WeakPolarHBondContact O-CG 3.4Å; V135-K139 PolarHBondContact O-N 3.34Å; E136-K139 PolarHBondContact O-N 3.25Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 2.8Å; K139-R143 WeakPolarHBondContact O-CB 3.19Å; K139-R143 VanDerWaalsContact O-CG 3.28Å; K139-R143 WeakPolarHBondContact O-CG 3.24Å; K139-R143 PolarHBondContact O-N 2.89Å; K139-R143 VanDerWaalsContact O-N 3.1Å; K139-R143 PolarHBondContact O-NE 3.17Å
140	E	97.8	Very high	95.9	Very high	60 Å²	60	71.7 Å²	71.7	28%	0.28	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-48	173	-173	-167.1	143.1	0	0	110.7	E136 E137 R143 G144 F153 R157	E136-E140 PolarHBondContact O-N 3.4Å; E137-E140 WeakPolarHBondContact O-CB 3.38Å; E137-E140 PolarHBondContact O-N 2.75Å; E140-R143 PolarHBondContact O-N 2.9Å; E140-G144 PolarHBondContact O-N 2.77Å; E140-F153 HydrophobicContact CB-CD2 3.95Å; E140-F153 HydrophobicContact CB-CE2 4.35Å; E140-F153 VanDerWaalsContact CD-CD2 3.43Å; E140-F153 HydrophobicContact CG-CD2 3.85Å; E140-F153 HydrophobicContact CG-CE2 4.47Å; E140-F153 WeakPolarHBondContact OE1-CD2 3.44Å; E140-R157 IonicContact OE1-CZ 2.89Å; E140-R157 IonicContact OE1-NH1 2.73Å; E140-R157 PolarHBondContact OE1-NH1 2.79Å; E140-R157 IonicContact OE1-NH2 3.97Å; E140-R157 PolarHBondContact OE1-NH2 3.24Å; E140-R157 IonicContact OE2-NH2 3.39Å; E140-R157 PolarHBondContact OE2-NH2 2.76Å; E140-R157 VanDerWaalsContact OE2-NH2 3.16Å
141	K	97.3	Very high	96.1	Very high	36 Å²	36	70.8 Å²	70.8	16%	0.157	36%	0.364	C	S	.	.	H	α-helix	trans	-57.3	-51.5	175.4	176.7	175.8	174.1	174.5	0	112.5	T130 L133 E137 Q138 R143 G144 E145 F153	T130-K141 PolarHBondContact OG1-NZ 3.17Å; L133-K141 HydrophobicContact CD1-CB 4.32Å; L133-K141 HydrophobicContact CD1-CD 3.85Å; E137-K141 WeakPolarHBondContact O-CB 3.14Å; E137-K141 PolarHBondContact O-N 2.82Å; Q138-K141 PolarHBondContact O-N 3.36Å; K141-R143 VanDerWaalsContact C-N 3.3Å; K141-R143 PolarHBondContact O-N 3.31Å; K141-G144 PolarHBondContact O-N 2.73Å; K141-G144 VanDerWaalsContact O-N 3.1Å; K141-E145 WeakPolarHBondContact CE-OE1 3.33Å; K141-E145 HydrophobicContact CG-CG 4.48Å; K141-E145 IonicContact NZ-OE1 3.95Å; K141-E145 PolarHBondContact O-N 2.72Å; K141-F153 HydrophobicContact CB-CB 3.87Å; K141-F153 HydrophobicContact CB-CD2 4.27Å; K141-F153 HydrophobicContact CB-CG 4.04Å; K141-F153 HydrophobicContact CG-CB 4.29Å
142	E	96.7	Very high	96.4	Very high	96 Å²	96	66.4 Å²	66.4	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-39.3	179.8	-74.6	167.4	-167.5	0	0	112.2	Q138 A146	Q138-E142 WeakPolarHBondContact CG-OE1 3.18Å; Q138-E142 PolarHBondContact NE2-OE1 3.04Å; Q138-E142 WeakPolarHBondContact O-CG 3.24Å; Q138-E142 PolarHBondContact O-N 3.39Å; E142-A146 VanDerWaalsContact O-CB 3.27Å; E142-A146 WeakPolarHBondContact O-CB 3.44Å; E142-A146 PolarHBondContact O-N 2.91Å
143	R	96.9	Very high	96.7	Very high	174 Å²	174	58.9 Å²	58.9	66%	0.657	30%	0.297	S	S	*	.	H	α-helix	trans	-64.7	-41.6	174.1	-75.5	-174.8	-63.2	167.4	2.4	112.1	K139 E140 K141 K147	K139-R143 WeakPolarHBondContact O-CB 3.19Å; K139-R143 VanDerWaalsContact O-CG 3.28Å; K139-R143 WeakPolarHBondContact O-CG 3.24Å; K139-R143 PolarHBondContact O-N 2.89Å; K139-R143 VanDerWaalsContact O-N 3.1Å; K139-R143 PolarHBondContact O-NE 3.17Å; E140-R143 PolarHBondContact O-N 2.9Å; K141-R143 VanDerWaalsContact C-N 3.3Å; K141-R143 PolarHBondContact O-N 3.31Å; R143-K147 VanDerWaalsContact O-CB 3.32Å; R143-K147 WeakPolarHBondContact O-CB 3.38Å; R143-K147 PolarHBondContact O-N 3.28Å
144	G	96.3	Very high	96.8	Very high	10 Å²	10	57 Å²	57	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-48.1	175.7	0	0	0	0	0	112.3	E140 K141 K147 H148	E140-G144 PolarHBondContact O-N 2.77Å; K141-G144 PolarHBondContact O-N 2.73Å; K141-G144 VanDerWaalsContact O-N 3.1Å; G144-K147 PolarHBondContact O-N 2.74Å; G144-H148 WeakPolarHBondContact O-CB 3.4Å; G144-H148 PolarHBondContact O-N 3.08Å
145	E	95.1	Very high	96.9	Very high	62 Å²	62	54.7 Å²	54.7	29%	0.29	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-43.1	177.6	-72.1	174.9	168.8	0	0	112	K141 K147 C149 F150	K141-E145 WeakPolarHBondContact CE-OE1 3.33Å; K141-E145 HydrophobicContact CG-CG 4.48Å; K141-E145 IonicContact NZ-OE1 3.95Å; K141-E145 PolarHBondContact O-N 2.72Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 3.45Å; E145-C149 WeakPolarHBondContact O-CA 3.24Å; E145-C149 PolarHBondContact O-N 2.96Å; E145-F150 WeakPolarHBondContact CA-O 3.42Å
146	A	94.3	Very high	97	Very high	83 Å²	83	54.3 Å²	54.3	69%	0.686	27%	0.266	S	S	*	.	H	α-helix	trans	-63.8	-38.3	177.4	0	0	0	0	0	112.6	E142	E142-A146 VanDerWaalsContact O-CB 3.27Å; E142-A146 WeakPolarHBondContact O-CB 3.44Å; E142-A146 PolarHBondContact O-N 2.91Å
147	K	94.9	Very high	97.1	Very high	89 Å²	89	52.1 Å²	52.1	39%	0.387	25%	0.252	S	S	.	.	H	α-helix	trans	-79.7	-44.2	-177.9	-176	176	176.1	-173.3	0	113	R143 G144 E145 D229	R143-K147 VanDerWaalsContact O-CB 3.32Å; R143-K147 WeakPolarHBondContact O-CB 3.38Å; R143-K147 PolarHBondContact O-N 3.28Å; G144-K147 PolarHBondContact O-N 2.74Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 3.45Å; K147-D229 VanDerWaalsContact CE-OD2 3.28Å; K147-D229 WeakPolarHBondContact CE-OD2 3.44Å; K147-D229 IonicContact NZ-OD1 3.67Å; K147-D229 PolarHBondContact NZ-OD1 3.48Å; K147-D229 IonicContact NZ-OD2 2.71Å; K147-D229 PolarHBondContact NZ-OD2 3.09Å
148	H	95.5	Very high	97.1	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.06	24%	0.24	C	C	.	.	H	α-helix	trans	-107.9	-9.3	-168.9	-59.8	-68.8	0	0	0	113.7	G144 F150 N195 R418	G144-H148 WeakPolarHBondContact O-CB 3.4Å; G144-H148 PolarHBondContact O-N 3.08Å; H148-F150 HydrophobicContact CB-CD1 3.92Å; H148-F150 HydrophobicContact CB-CD2 4.34Å; H148-F150 HydrophobicContact CB-CE1 3.61Å; H148-F150 HydrophobicContact CB-CE2 4.04Å; H148-F150 HydrophobicContact CB-CG 4.28Å; H148-F150 HydrophobicContact CB-CZ 3.65Å; H148-F150 WeakPolarHBondContact O-CD1 3.35Å; H148-F150 PolarHBondContact O-N 2.84Å; H148-N195 PolarHBondContact ND1-O 3.06Å; H148-R418 PolarHBondContact O-NH1 2.6Å
149	C	95.9	Very high	97.2	Very high	33 Å²	33	48 Å²	48	22%	0.223	24%	0.237	C	C	.	.	S	Bend	trans	59.4	24.3	-174.4	-62.4	0	0	0	0	113.9	E145 P422	E145-C149 WeakPolarHBondContact O-CA 3.24Å; E145-C149 PolarHBondContact O-N 2.96Å; C149-P422 HydrophobicContact CB-CB 4.42Å
150	F	97.2	Very high	97.2	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.22	C	C	.	.	S	Bend	trans	-150.1	166	168.8	61.9	-106	0	0	0	109.2	E145 H148 A152 E196 A197 T200 L311 F314 V416 R418	E145-F150 WeakPolarHBondContact CA-O 3.42Å; H148-F150 HydrophobicContact CB-CD1 3.92Å; H148-F150 HydrophobicContact CB-CD2 4.34Å; H148-F150 HydrophobicContact CB-CE1 3.61Å; H148-F150 HydrophobicContact CB-CE2 4.04Å; H148-F150 HydrophobicContact CB-CG 4.28Å; H148-F150 HydrophobicContact CB-CZ 3.65Å; H148-F150 WeakPolarHBondContact O-CD1 3.35Å; H148-F150 PolarHBondContact O-N 2.84Å; F150-A152 VanDerWaalsContact C-N 3.31Å; F150-A152 HydrophobicContact CD2-CB 4.32Å; F150-A152 HydrophobicContact CE2-CB 3.9Å; F150-A152 PolarHBondContact O-N 2.73Å; F150-E196 WeakPolarHBondContact CZ-OE1 3.49Å; F150-A197 HydrophobicContact CE2-CB 4.31Å; F150-A197 HydrophobicContact CZ-CB 3.93Å; F150-T200 HydrophobicContact CE2-CG2 3.76Å; F150-T200 HydrophobicContact CZ-CG2 3.68Å; F150-L311 HydrophobicContact CB-CB 3.86Å; F150-F314 HydrophobicContact CD2-CE2 4.03Å; F150-F314 AromaticContact CD2-CZ 3.68Å; F150-F314 HydrophobicContact CD2-CZ 3.68Å; F150-F314 HydrophobicContact CE2-CZ 4Å; F150-F314 HydrophobicContact CG-CZ 4.45Å; F150-V416 HydrophobicContact CB-CG1 4.03Å; F150-V416 HydrophobicContact CD1-CG1 4.28Å; F150-V416 HydrophobicContact CG-CG1 4.22Å; F150-R418 VanDerWaalsContact CE1-CZ 3.45Å
151	N	97.8	Very high	97.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.219	C	C	.	.			trans	-73.8	78.1	-178.8	-173.8	-4.3	0	0	0	111.7	T130 F153 A154 S155 L311 N312 F314	T130-N151 PolarHBondContact OG1-ND2 3.37Å; N151-F153 PolarHBondContact O-N 2.97Å; N151-F153 WeakPolarHBondContact OD1-CB 3.39Å; N151-F153 PolarHBondContact OD1-N 3.44Å; N151-A154 HydrophobicContact CB-CB 4.2Å; N151-A154 WeakPolarHBondContact O-CB 3.48Å; N151-A154 PolarHBondContact O-N 3.1Å; N151-A154 VanDerWaalsContact O-N 3.12Å; N151-A154 PolarHBondContact OD1-N 3.14Å; N151-S155 PolarHBondContact O-N 2.92Å; N151-L311 WeakPolarHBondContact CB-O 3.05Å; N151-L311 PolarHBondContact N-O 3.35Å; N151-N312 WeakPolarHBondContact CB-O 3.5Å; N151-N312 PolarHBondContact ND2-O 3.04Å; N151-F314 VanDerWaalsContact O-CE2 3.29Å; N151-F314 WeakPolarHBondContact O-CE2 3.04Å
152	A	97.9	Very high	97.3	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-31.5	178.6	0	0	0	0	0	112.4	F150 A154 S155 D156	F150-A152 VanDerWaalsContact C-N 3.31Å; F150-A152 HydrophobicContact CD2-CB 4.32Å; F150-A152 HydrophobicContact CE2-CB 3.9Å; F150-A152 PolarHBondContact O-N 2.73Å; A152-A154 VanDerWaalsContact C-N 3.3Å; A152-A154 PolarHBondContact O-N 3.35Å; A152-S155 WeakPolarHBondContact O-CB 3.44Å; A152-S155 PolarHBondContact O-N 3.26Å; A152-S155 VanDerWaalsContact O-N 3.09Å; A152-D156 PolarHBondContact O-N 2.93Å
153	F	98.5	Very high	97.4	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-41.5	174.1	175.6	-79	0	0	0	112.5	T130 L133 E137 E140 K141 N151 R157	T130-F153 HydrophobicContact CG2-CD1 3.8Å; T130-F153 HydrophobicContact CG2-CE1 4.03Å; L133-F153 HydrophobicContact CD1-CE1 4.22Å; L133-F153 HydrophobicContact CD1-CZ 4.35Å; L133-F153 HydrophobicContact CD2-CE1 3.7Å; L133-F153 HydrophobicContact CD2-CZ 3.69Å; E137-F153 HydrophobicContact CB-CE2 3.65Å; E137-F153 HydrophobicContact CB-CZ 3.85Å; E137-F153 HydrophobicContact CG-CE2 3.86Å; E137-F153 HydrophobicContact CG-CZ 3.99Å; E140-F153 HydrophobicContact CB-CD2 3.95Å; E140-F153 HydrophobicContact CB-CE2 4.35Å; E140-F153 VanDerWaalsContact CD-CD2 3.43Å; E140-F153 HydrophobicContact CG-CD2 3.85Å; E140-F153 HydrophobicContact CG-CE2 4.47Å; E140-F153 WeakPolarHBondContact OE1-CD2 3.44Å; K141-F153 HydrophobicContact CB-CB 3.87Å; K141-F153 HydrophobicContact CB-CD2 4.27Å; K141-F153 HydrophobicContact CB-CG 4.04Å; K141-F153 HydrophobicContact CG-CB 4.29Å; N151-F153 PolarHBondContact O-N 2.97Å; N151-F153 WeakPolarHBondContact OD1-CB 3.39Å; N151-F153 PolarHBondContact OD1-N 3.44Å; F153-R157 VanDerWaalsContact CD2-NH1 3.32Å; F153-R157 VanDerWaalsContact CZ-NE 3.33Å; F153-R157 PolarHBondContact O-NH1 3.49Å
154	A	98.4	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-48.8	172.9	0	0	0	0	0	110.8	F128 T130 N151 A152 D156 R157 I158 F314	F128-A154 HydrophobicContact CD1-CB 3.83Å; F128-A154 HydrophobicContact CE1-CB 4.36Å; T130-A154 HydrophobicContact CG2-CB 3.87Å; N151-A154 HydrophobicContact CB-CB 4.2Å; N151-A154 WeakPolarHBondContact O-CB 3.48Å; N151-A154 PolarHBondContact O-N 3.1Å; N151-A154 VanDerWaalsContact O-N 3.12Å; N151-A154 PolarHBondContact OD1-N 3.14Å; A152-A154 VanDerWaalsContact C-N 3.3Å; A152-A154 PolarHBondContact O-N 3.35Å; A154-D156 VanDerWaalsContact C-N 3.3Å; A154-D156 PolarHBondContact O-N 3.42Å; A154-R157 PolarHBondContact O-N 2.77Å; A154-R157 VanDerWaalsContact O-N 3.12Å; A154-I158 VanDerWaalsContact O-CG1 3.32Å; A154-I158 WeakPolarHBondContact O-CG1 3.21Å; A154-I158 PolarHBondContact O-N 3.04Å; A154-F314 HydrophobicContact CB-CD2 4.13Å
155	S	98.6	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56	-43.3	179.2	-174.7	0	0	0	0	112.5	N151 A152 R157 I158 S199 T200 R203	N151-S155 PolarHBondContact O-N 2.92Å; A152-S155 WeakPolarHBondContact O-CB 3.44Å; A152-S155 PolarHBondContact O-N 3.26Å; A152-S155 VanDerWaalsContact O-N 3.09Å; S155-R157 PolarHBondContact O-N 3.3Å; S155-I158 PolarHBondContact O-N 3.39Å; S155-I158 VanDerWaalsContact O-N 3.13Å; S155-S199 WeakPolarHBondContact CB-OG 3.35Å; S155-S199 WeakPolarHBondContact OG-CB 3.24Å; S155-S199 PolarHBondContact OG-OG 2.78Å; S155-T200 WeakPolarHBondContact OG-CG2 3.16Å; S155-R203 PolarHBondContact O-NH2 2.88Å; S155-R203 PolarHBondContact OG-NH1 3.01Å; S155-R203 PolarHBondContact OG-NH2 3.43Å
156	D	98.6	Very high	97.6	Very high	87 Å²	87	32.1 Å²	32.1	47%	0.465	18%	0.183	S	C	.	.	H	α-helix	trans	-66.8	-18.4	-177	-67.4	-17.2	0	0	0	113.2	A152 A154 S199	A152-D156 PolarHBondContact O-N 2.93Å; A154-D156 VanDerWaalsContact C-N 3.3Å; A154-D156 PolarHBondContact O-N 3.42Å; D156-S199 WeakPolarHBondContact OD1-CB 3.43Å; D156-S199 PolarHBondContact OD1-OG 2.83Å
157	R	98.4	Very high	97.8	Very high	88 Å²	88	30.3 Å²	30.3	33%	0.332	16%	0.161	S	C	.	.	H	α-helix	trans	-102.4	-4.4	178	-70.8	163.4	176.8	71.8	-2.2	113.3	F128 E140 F153 A154 S155	F128-R157 HydrophobicContact CE1-CB 3.96Å; E140-R157 IonicContact OE1-CZ 2.89Å; E140-R157 IonicContact OE1-NH1 2.73Å; E140-R157 PolarHBondContact OE1-NH1 2.79Å; E140-R157 IonicContact OE1-NH2 3.97Å; E140-R157 PolarHBondContact OE1-NH2 3.24Å; E140-R157 IonicContact OE2-NH2 3.39Å; E140-R157 PolarHBondContact OE2-NH2 2.76Å; E140-R157 VanDerWaalsContact OE2-NH2 3.16Å; F153-R157 VanDerWaalsContact CD2-NH1 3.32Å; F153-R157 VanDerWaalsContact CZ-NE 3.33Å; F153-R157 PolarHBondContact O-NH1 3.49Å; A154-R157 PolarHBondContact O-N 2.77Å; A154-R157 VanDerWaalsContact O-N 3.12Å; S155-R157 PolarHBondContact O-N 3.3Å
158	I	98.8	Very high	97.9	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	-95.9	132.4	174.5	-67.7	167.1	0	0	0	109	P121 F128 A154 S155 L160 R162 R203 F314	P121-I158 HydrophobicContact CB-CG1 4.37Å; F128-I158 HydrophobicContact CB-CD1 4.05Å; F128-I158 HydrophobicContact CB-CG1 4.39Å; F128-I158 HydrophobicContact CD1-CD1 4.3Å; F128-I158 HydrophobicContact CD1-CG1 4.18Å; A154-I158 VanDerWaalsContact O-CG1 3.32Å; A154-I158 WeakPolarHBondContact O-CG1 3.21Å; A154-I158 PolarHBondContact O-N 3.04Å; S155-I158 PolarHBondContact O-N 3.39Å; S155-I158 VanDerWaalsContact O-N 3.13Å; I158-L160 PolarHBondContact O-N 3.22Å; I158-R162 VanDerWaalsContact CG2-CD 3.45Å; I158-R162 HydrophobicContact CG2-CG 4.49Å; I158-R203 PolarHBondContact O-NH2 2.98Å; I158-F314 HydrophobicContact CD1-CB 3.42Å; I158-F314 VanDerWaalsContact CD1-CB 3.42Å; I158-F314 HydrophobicContact CD1-CG 3.99Å
159	S	98.7	Very high	98	Very high	39 Å²	39	27.9 Å²	27.9	27%	0.273	15%	0.153	S	C	.	.			trans	-48.7	137.1	178.6	175.9	0	0	0	0	112.4	Q116 H161 R162 R203	Q116-S159 PolarHBondContact OE1-OG 3.03Å; Q116-S159 VanDerWaalsContact OE1-OG 3.08Å; S159-H161 PolarHBondContact O-N 2.96Å; S159-H161 PolarHBondContact OG-N 3.44Å; S159-R162 PolarHBondContact OG-N 2.92Å; S159-R203 PolarHBondContact O-NE 3.21Å; S159-R203 VanDerWaalsContact O-NE 3.15Å
160	L	98.7	Very high	98.1	Very high	34 Å²	34	26.7 Å²	26.7	18%	0.178	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.3	169.6	-56.6	-178.1	0	0	0	111.9	I158 S199 L202 R203 H206	I158-L160 PolarHBondContact O-N 3.22Å; L160-S199 VanDerWaalsContact CD2-O 3.28Å; L160-S199 WeakPolarHBondContact CD2-O 3.46Å; L160-L202 HydrophobicContact CD1-CB 4.05Å; L160-L202 HydrophobicContact CD1-CD1 4.23Å; L160-L202 HydrophobicContact CD2-CB 4.34Å; L160-R203 HydrophobicContact CD2-CB 4.29Å; L160-H206 WeakPolarHBondContact O-CB 3.23Å
161	H	98.6	Very high	98.2	Very high	54 Å²	54	29.8 Å²	29.8	25%	0.25	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	9.3	-172.3	-41.2	-64.7	0	0	0	113	R113 P114 Q116 S159 D163 H206 Y210	R113-H161 VanDerWaalsContact CD-O 3.24Å; R113-H161 WeakPolarHBondContact CD-O 3.38Å; R113-H161 WeakPolarHBondContact CG-O 3.41Å; R113-H161 PolarHBondContact NE-O 3.5Å; P114-H161 HydrophobicContact CG-CB 3.89Å; Q116-H161 VanDerWaalsContact CD-O 3.24Å; Q116-H161 PolarHBondContact NE2-O 3.21Å; Q116-H161 PolarHBondContact OE1-O 2.88Å; S159-H161 PolarHBondContact O-N 2.96Å; S159-H161 PolarHBondContact OG-N 3.44Å; H161-D163 PolarHBondContact O-N 3.37Å; H161-H206 AromaticContact CE1-CE1 3.48Å; H161-H206 PolarHBondContact CE1-CE1 3.48Å; H161-H206 VanDerWaalsContact CE1-CE1 3.48Å; H161-H206 AromaticContact CE1-ND1 3.68Å; H161-H206 AromaticContact CE1-NE2 3.69Å; H161-H206 AromaticContact ND1-CE1 3.78Å; H161-H206 AromaticContact ND1-CG 3.78Å; H161-H206 AromaticContact ND1-ND1 3.5Å; H161-H206 PolarHBondContact ND1-ND1 2.89Å; H161-Y210 HydrophobicContact CB-CE2 3.88Å; H161-Y210 AromaticContact ND1-CE2 3.61Å; H161-Y210 AromaticContact ND1-CZ 3.69Å; H161-Y210 PolarHBondContact ND1-OH 3.1Å
162	R	98.6	Very high	98.2	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.026	18%	0.179	C	C	.	.			trans	-53.9	141.6	-172.8	81	179.3	-155.2	166.9	-11.9	111.4	G122 I158 S159 E281 F314	G122-R162 WeakPolarHBondContact O-CD 3.43Å; G122-R162 PolarHBondContact O-NH1 3.5Å; I158-R162 VanDerWaalsContact CG2-CD 3.45Å; I158-R162 HydrophobicContact CG2-CG 4.49Å; S159-R162 PolarHBondContact OG-N 2.92Å; R162-E281 IonicContact CZ-OE1 2.95Å; R162-E281 IonicContact CZ-OE2 2.67Å; R162-E281 IonicContact NE-OE1 3.57Å; R162-E281 PolarHBondContact NE-OE1 2.75Å; R162-E281 IonicContact NE-OE2 3.34Å; R162-E281 PolarHBondContact NE-OE2 3.49Å; R162-E281 IonicContact NH2-OE1 3.03Å; R162-E281 PolarHBondContact NH2-OE1 3.09Å; R162-E281 IonicContact NH2-OE2 3.63Å; R162-F314 PolarHBondContact NH1-O 3.35Å; R162-F314 PolarHBondContact NH2-O 3.09Å
163	D	98.3	Very high	98.2	Very high	27 Å²	27	32.7 Å²	32.7	14%	0.144	18%	0.179	C	C	.	.			trans	-78.8	167.4	165.3	67.7	92.5	0	0	0	111.1	Q116 S124 G125 H161 G165	Q116-D163 VanDerWaalsContact CB-OD2 3.3Å; Q116-D163 WeakPolarHBondContact CB-OD2 3.43Å; Q116-D163 HydrophobicContact CG-CB 4.38Å; Q116-D163 WeakPolarHBondContact CG-OD2 3.43Å; S124-D163 CarbonylContact C-O 3.48Å; S124-D163 WeakPolarHBondContact CA-O 3.41Å; S124-D163 VanDerWaalsContact CA-OD1 3.27Å; S124-D163 WeakPolarHBondContact CA-OD1 3.37Å; S124-D163 WeakPolarHBondContact CB-OD1 3.31Å; S124-D163 PolarHBondContact N-O 3.31Å; S124-D163 PolarHBondContact OG-OD1 3.05Å; G125-D163 PolarHBondContact N-O 3.09Å; H161-D163 PolarHBondContact O-N 3.37Å; D163-G165 VanDerWaalsContact OD1-CA 3.3Å; D163-G165 WeakPolarHBondContact OD1-CA 3.4Å; D163-G165 PolarHBondContact OD1-N 3.49Å
164	L	98.4	Very high	98.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.198	C	C	.	.			trans	-108.7	25.2	176.4	-60.8	178.1	0	0	0	111.2	S124 E281 F283 Y284 F316 K318	S124-L164 CarbonylContact O-C 3.56Å; L164-E281 HydrophobicContact CD1-CB 4.37Å; L164-F283 HydrophobicContact CB-CD2 3.93Å; L164-F283 HydrophobicContact CB-CE2 3.73Å; L164-F283 HydrophobicContact CD1-CD2 3.63Å; L164-F283 HydrophobicContact CD1-CE2 4.29Å; L164-F283 HydrophobicContact CG-CD2 4.44Å; L164-Y284 PolarHBondContact N-OH 3.21Å; L164-F316 HydrophobicContact CD1-CD2 3.85Å; L164-F316 HydrophobicContact CD1-CE2 3.6Å; L164-F316 HydrophobicContact CD1-CG 4.42Å; L164-F316 HydrophobicContact CD1-CZ 4Å; L164-F316 HydrophobicContact CD2-CB 4.15Å; L164-F316 HydrophobicContact CD2-CD2 3.79Å; L164-F316 HydrophobicContact CD2-CE2 4.4Å; L164-F316 HydrophobicContact CD2-CG 4.03Å; L164-F316 HydrophobicContact CG-CD2 4.46Å; L164-K318 WeakPolarHBondContact O-CE 3.39Å; L164-K318 PolarHBondContact O-NZ 2.95Å
165	G	97.3	Very high	98.1	Very high	11 Å²	11	42.9 Å²	42.9	11%	0.113	23%	0.228	C	C	.	.			trans	71.4	-154.9	-177.6	0	0	0	0	0	113.1	D163 Y284	D163-G165 VanDerWaalsContact OD1-CA 3.3Å; D163-G165 WeakPolarHBondContact OD1-CA 3.4Å; D163-G165 PolarHBondContact OD1-N 3.49Å; G165-Y284 WeakPolarHBondContact O-CE2 3.16Å; G165-Y284 PolarHBondContact O-OH 3.17Å
166	P	97.3	Very high	98.1	Very high	92 Å²	92	45.2 Å²	45.2	60%	0.597	24%	0.239	S	C	*	.	S	Bend	trans	-66.7	153.5	175.7	29	-34.5	0	0	0	111.4	T168	P166-T168 HydrophobicContact CG-CG2 4.33Å; P166-T168 PolarHBondContact O-N 3.3Å
167	D	97.8	Very high	98	Very high	44 Å²	44	47.5 Å²	47.5	24%	0.235	25%	0.245	C	C	.	.			trans	-70	114.3	170	-167.8	-16.9	0	0	0	109.3	R169 I174 F283 Y284	D167-R169 VanDerWaalsContact OD1-CB 3.32Å; D167-R169 WeakPolarHBondContact OD1-CB 3.41Å; D167-R169 WeakPolarHBondContact OD1-CG 3.41Å; D167-R169 IonicContact OD1-CZ 3.42Å; D167-R169 PolarHBondContact OD1-N 3.22Å; D167-R169 IonicContact OD1-NE 2.76Å; D167-R169 PolarHBondContact OD1-NE 3.29Å; D167-R169 IonicContact OD2-CZ 3.57Å; D167-R169 IonicContact OD2-NE 3.54Å; D167-R169 PolarHBondContact OD2-NE 3.23Å; D167-R169 IonicContact OD2-NH2 2.68Å; D167-R169 PolarHBondContact OD2-NH2 2.89Å; D167-I174 HydrophobicContact CB-CD1 4.2Å; D167-F283 WeakPolarHBondContact OD1-CE1 3.26Å; D167-Y284 HydrophobicContact CB-CD2 3.99Å
168	T	97.4	Very high	98	Very high	35 Å²	35	44.2 Å²	44.2	22%	0.215	23%	0.233	C	C	.	.			trans	-109.4	16.5	-178.2	57.9	0	0	0	0	112.5	P166 P319 S320 P321	P166-T168 HydrophobicContact CG-CG2 4.33Å; P166-T168 PolarHBondContact O-N 3.3Å; T168-P319 VanDerWaalsContact CB-O 3.25Å; T168-P319 WeakPolarHBondContact CB-O 3.46Å; T168-P319 CarbonylContact O-C 3.51Å; T168-P319 VanDerWaalsContact O-O 3.07Å; T168-P319 PolarHBondContact OG1-O 2.8Å; T168-S320 CarbonylContact O-C 3.48Å; T168-P321 WeakPolarHBondContact O-CA 3.13Å; T168-P321 WeakPolarHBondContact O-CD 3.25Å
169	R	97.9	Very high	97.9	Very high	16 Å²	16	49.4 Å²	49.4	6%	0.06	26%	0.255	C	S	.	.	S	Bend	trans	-65.2	161.8	172.4	-69.5	178.7	-60.7	157.9	4.9	111	D167 C173 I174 F283 Y284 G285 P319 C410 V412	D167-R169 VanDerWaalsContact OD1-CB 3.32Å; D167-R169 WeakPolarHBondContact OD1-CB 3.41Å; D167-R169 WeakPolarHBondContact OD1-CG 3.41Å; D167-R169 IonicContact OD1-CZ 3.42Å; D167-R169 PolarHBondContact OD1-N 3.22Å; D167-R169 IonicContact OD1-NE 2.76Å; D167-R169 PolarHBondContact OD1-NE 3.29Å; D167-R169 IonicContact OD2-CZ 3.57Å; D167-R169 IonicContact OD2-NE 3.54Å; D167-R169 PolarHBondContact OD2-NE 3.23Å; D167-R169 IonicContact OD2-NH2 2.68Å; D167-R169 PolarHBondContact OD2-NH2 2.89Å; R169-C173 HydrophobicContact CB-CB 4.03Å; R169-I174 HydrophobicContact CB-CG1 4.24Å; R169-F283 HydrophobicContact CG-CD1 4.06Å; R169-F283 HydrophobicContact CG-CE1 3.99Å; R169-Y284 PolarHBondContact NE-O 3.42Å; R169-Y284 PolarHBondContact NH1-O 3.28Å; R169-Y284 VanDerWaalsContact NH1-O 3.14Å; R169-Y284 PolarHBondContact NH2-O 3.38Å; R169-G285 PolarHBondContact NH1-O 3.49Å; R169-P319 HydrophobicContact CG-CB 4.19Å; R169-P319 HydrophobicContact CG-CG 3.63Å; R169-C410 WeakPolarHBondContact CD-O 3.49Å; R169-C410 PolarHBondContact NH1-O 2.85Å; R169-V412 HydrophobicContact CG-CG2 4.41Å
170	P	97.7	Very high	97.8	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.058	25%	0.25	C	C	.	.			trans	-49.7	140.6	169.2	-27.4	34.8	0	0	0	112	E172 C173 I174 E353	P170-E172 HydrophobicContact CB-CG 4.31Å; P170-E172 WeakPolarHBondContact CB-OE2 3.31Å; P170-E172 PolarHBondContact O-N 3.32Å; P170-C173 VanDerWaalsContact O-CB 3.28Å; P170-C173 WeakPolarHBondContact O-CB 3.48Å; P170-C173 PolarHBondContact O-N 3.02Å; P170-I174 PolarHBondContact O-N 2.96Å; P170-E353 HydrophobicContact CB-CB 3.92Å; P170-E353 HydrophobicContact CB-CG 3.98Å; P170-E353 HydrophobicContact CG-CB 3.83Å; P170-E353 HydrophobicContact CG-CG 3.68Å
171	P	97.8	Very high	97.6	Very high	66 Å²	66	50 Å²	50	43%	0.429	26%	0.256	S	S	.	.	H	α-helix	trans	-53	-39.6	-175.9	-28	35.2	0	0	0	113.7	C173 I174 E175	P171-C173 PolarHBondContact O-N 3.21Å; P171-I174 PolarHBondContact O-N 3.01Å; P171-E175 WeakPolarHBondContact O-CB 3.48Å; P171-E175 WeakPolarHBondContact O-CG 3.37Å; P171-E175 PolarHBondContact O-N 3.26Å
172	E	97.6	Very high	97.4	Very high	61 Å²	61	50.5 Å²	50.5	29%	0.285	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-28	177.9	63.2	-93.1	-142.3	0	0	113.4	P170 Q176 D352 E353 T354	P170-E172 HydrophobicContact CB-CG 4.31Å; P170-E172 WeakPolarHBondContact CB-OE2 3.31Å; P170-E172 PolarHBondContact O-N 3.32Å; E172-Q176 WeakPolarHBondContact O-CB 3.45Å; E172-Q176 PolarHBondContact O-N 2.88Å; E172-Q176 VanDerWaalsContact O-N 3.1Å; E172-D352 HydrophobicContact CG-CB 4.08Å; E172-E353 HydrophobicContact CG-CB 4.11Å; E172-E353 WeakPolarHBondContact OE1-CB 3.19Å; E172-E353 WeakPolarHBondContact OE1-CG 3.29Å; E172-E353 PolarHBondContact OE1-N 3.24Å; E172-T354 HydrophobicContact CB-CG2 4.12Å; E172-T354 HydrophobicContact CG-CG2 4.01Å
173	C	98.1	Very high	97.3	Very high	5 Å²	5	52 Å²	52	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-75.2	-37.6	174.6	-65.2	0	0	0	0	111.9	R169 P170 P171 C410	R169-C173 HydrophobicContact CB-CB 4.03Å; P170-C173 VanDerWaalsContact O-CB 3.28Å; P170-C173 WeakPolarHBondContact O-CB 3.48Å; P170-C173 PolarHBondContact O-N 3.02Å; P171-C173 PolarHBondContact O-N 3.21Å; C173-C410 WeakPolarHBondContact CA-SG 3.22Å; C173-C410 HydrophobicContact CB-CB 3.53Å; C173-C410 WeakPolarHBondContact CB-SG 3.08Å; C173-C410 WeakPolarHBondContact SG-CA 3.37Å; C173-C410 WeakPolarHBondContact SG-CB 3.31Å; C173-C410 CovalentContact SG-SG 2.04Å; C173-C410 PolarHBondContact SG-SG 2.76Å
174	I	97.9	Very high	97.3	Very high	81 Å²	81	51 Å²	51	42%	0.415	27%	0.269	S	S	.	.	H	α-helix	trans	-71.8	-38	178.5	-57.4	176.5	0	0	0	110	D167 R169 P170 P171	D167-I174 HydrophobicContact CB-CD1 4.2Å; R169-I174 HydrophobicContact CB-CG1 4.24Å; P170-I174 PolarHBondContact O-N 2.96Å; P171-I174 PolarHBondContact O-N 3.01Å
175	E	97.9	Very high	97.2	Very high	136 Å²	136	51.4 Å²	51.4	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-83.5	-13	-177.8	-67.3	177.4	-175.7	0	0	113.5	P171 K177	P171-E175 WeakPolarHBondContact O-CB 3.48Å; P171-E175 WeakPolarHBondContact O-CG 3.37Å; P171-E175 PolarHBondContact O-N 3.26Å; E175-K177 WeakPolarHBondContact O-CE 3.5Å; E175-K177 PolarHBondContact O-N 2.56Å
176	Q	98.1	Very high	97.3	Very high	49 Å²	49	51.8 Å²	51.8	23%	0.229	27%	0.271	C	S	.	.			trans	-51	134.4	-176.1	-165.3	174.9	13.5	0	0	112.1	E172 F178 T354	E172-Q176 WeakPolarHBondContact O-CB 3.45Å; E172-Q176 PolarHBondContact O-N 2.88Å; E172-Q176 VanDerWaalsContact O-N 3.1Å; Q176-F178 HydrophobicContact CB-CZ 4.31Å; Q176-F178 HydrophobicContact CG-CE1 4.02Å; Q176-F178 HydrophobicContact CG-CZ 3.95Å; Q176-T354 HydrophobicContact CG-CG2 4.39Å
177	K	98	Very high	97.4	Very high	135 Å²	135	47.4 Å²	47.4	59%	0.587	24%	0.243	S	C	*	.			trans	-114.9	137.6	175.7	-56.2	-58.5	174	-156.8	0	110.1	Y101 E175	Y101-K177 HydrophobicContact CD1-CB 3.41Å; Y101-K177 VanDerWaalsContact CD1-CB 3.41Å; Y101-K177 HydrophobicContact CE1-CB 3.97Å; Y101-K177 HydrophobicContact CG-CB 3.8Å; E175-K177 WeakPolarHBondContact O-CE 3.5Å; E175-K177 PolarHBondContact O-N 2.56Å
178	F	98	Very high	97.4	Very high	20 Å²	20	45.3 Å²	45.3	9%	0.088	23%	0.232	C	C	.	.			trans	-103.6	125.9	-178.6	-56.9	-74.9	0	0	0	110.4	Y101 Y102 L107 Q176 L184 E288 P289 A292	Y101-F178 CarbonylContact C-O 3.19Å; Y101-F178 WeakPolarHBondContact CA-O 3.38Å; Y101-F178 WeakPolarHBondContact CB-O 3.33Å; Y102-F178 HydrophobicContact CD2-CB 4.19Å; Y102-F178 WeakPolarHBondContact CD2-O 3.5Å; Y102-F178 PolarHBondContact N-O 3.26Å; L107-F178 HydrophobicContact CD1-CD2 4.18Å; Q176-F178 HydrophobicContact CB-CZ 4.31Å; Q176-F178 HydrophobicContact CG-CE1 4.02Å; Q176-F178 HydrophobicContact CG-CZ 3.95Å; F178-L184 HydrophobicContact CB-CD1 3.96Å; F178-L184 HydrophobicContact CB-CD2 4.39Å; F178-L184 HydrophobicContact CB-CG 4.44Å; F178-L184 HydrophobicContact CG-CD1 4.35Å; F178-E288 HydrophobicContact CD1-CB 4.22Å; F178-E288 HydrophobicContact CD2-CB 3.69Å; F178-E288 HydrophobicContact CD2-CG 4.25Å; F178-E288 HydrophobicContact CE1-CB 3.88Å; F178-E288 HydrophobicContact CE2-CB 3.31Å; F178-E288 HydrophobicContact CE2-CG 4.05Å; F178-E288 HydrophobicContact CG-CB 4.14Å; F178-E288 HydrophobicContact CZ-CB 3.42Å; F178-E288 VanDerWaalsContact CZ-CB 3.42Å; F178-P289 HydrophobicContact CE1-CG 4.43Å; F178-P289 HydrophobicContact CZ-CG 4.07Å; F178-A292 HydrophobicContact CD1-CB 3.61Å; F178-A292 HydrophobicContact CE1-CB 3.98Å
179	K	96.9	Very high	97.5	Very high	114 Å²	114	43.6 Å²	43.6	50%	0.496	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-66.4	145.9	179.2	-65.7	174.3	-175.8	167.3	0	109.4	Y101 Y102	Y101-K179 HydrophobicContact CD1-CG 4.02Å; Y101-K179 HydrophobicContact CE1-CG 3.55Å; Y102-K179 WeakPolarHBondContact CE2-O 2.83Å
180	R	96.1	Very high	97.6	Very high	43 Å²	43	42.9 Å²	42.9	16%	0.162	22%	0.219	C	C	.	.	S	Bend	trans	-80.1	-7.5	170	-64	-168.4	-173.4	93.8	1.1	113.2	L98 Q99 G100 Y101 Y102 E106 P182 P183	L98-R180 HydrophobicContact CB-CB 3.92Å; L98-R180 CarbonylContact O-C 3.57Å; L98-R180 VanDerWaalsContact O-CB 3.29Å; L98-R180 WeakPolarHBondContact O-CB 3.25Å; Q99-R180 PolarHBondContact O-NH1 3.39Å; Q99-R180 VanDerWaalsContact O-NH1 3.14Å; G100-R180 PolarHBondContact O-N 3.14Å; Y101-R180 PolarHBondContact O-NH1 2.92Å; Y101-R180 PolarHBondContact O-NH2 2.81Å; Y102-R180 HydrophobicContact CD1-CG 4.13Å; Y102-R180 HydrophobicContact CD2-CG 3.87Å; Y102-R180 HydrophobicContact CE1-CG 4.14Å; Y102-R180 HydrophobicContact CE2-CB 4.22Å; Y102-R180 HydrophobicContact CE2-CG 3.86Å; Y102-R180 HydrophobicContact CG-CG 4Å; E106-R180 VanDerWaalsContact CD-NH2 3.31Å; E106-R180 IonicContact OE1-CZ 2.68Å; E106-R180 IonicContact OE1-NE 2.73Å; E106-R180 PolarHBondContact OE1-NE 2.99Å; E106-R180 IonicContact OE1-NH2 3.75Å; E106-R180 PolarHBondContact OE1-NH2 3.21Å; E106-R180 VanDerWaalsContact OE1-NH2 3.16Å; E106-R180 IonicContact OE2-CZ 3.47Å; E106-R180 IonicContact OE2-NE 3.69Å; E106-R180 IonicContact OE2-NH2 3.38Å; E106-R180 PolarHBondContact OE2-NH2 3.01Å; R180-P182 CarbonylContact C-O 3.49Å; R180-P182 CarbonylContact O-C 3.55Å; R180-P183 WeakPolarHBondContact O-CA 3.4Å
181	C	94.1	Very high	97.6	Very high	44 Å²	44	42.5 Å²	42.5	30%	0.297	22%	0.216	S	C	.	.	S	Bend	trans	-137.8	121.7	175.3	-166.1	0	0	0	0	112.1	C97	C97-C181 HydrophobicContact CB-CB 4.04Å; C97-C181 WeakPolarHBondContact CB-SG 3.49Å; C97-C181 WeakPolarHBondContact SG-CB 3.13Å; C97-C181 CovalentContact SG-SG 2.02Å; C97-C181 PolarHBondContact SG-SG 2.96Å
182	P	94.5	Very high	97.7	Very high	63 Å²	63	40 Å²	40	41%	0.409	20%	0.2	S	C	.	.	S	Bend	cis	-56.8	146.8	-10.4	27.7	-34.7	0	0	0	111	R180 A295	R180-P182 CarbonylContact C-O 3.49Å; R180-P182 CarbonylContact O-C 3.55Å; P182-A295 HydrophobicContact CB-CB 4.38Å; P182-A295 HydrophobicContact CG-CB 4Å; P182-A295 WeakPolarHBondContact CG-O 3.36Å
183	P	96.1	Very high	97.7	Very high	39 Å²	39	37.4 Å²	37.4	25%	0.253	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-64.7	149.9	179.2	27.8	-34.4	0	0	0	110	R180	R180-P183 WeakPolarHBondContact O-CA 3.4Å
184	L	97.8	Very high	97.7	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.1	127.5	171	-67.4	178.2	0	0	0	108.9	Y102 L107 F178 L216 A292	Y102-L184 HydrophobicContact CD2-CD1 4Å; Y102-L184 HydrophobicContact CD2-CG 4.26Å; Y102-L184 HydrophobicContact CE2-CB 4.2Å; Y102-L184 HydrophobicContact CE2-CD1 3.87Å; Y102-L184 HydrophobicContact CE2-CG 3.69Å; Y102-L184 PolarHBondContact OH-N 3.48Å; L107-L184 HydrophobicContact CD2-CD1 4.45Å; F178-L184 HydrophobicContact CB-CD1 3.96Å; F178-L184 HydrophobicContact CB-CD2 4.39Å; F178-L184 HydrophobicContact CB-CG 4.44Å; F178-L184 HydrophobicContact CG-CD1 4.35Å; L184-L216 HydrophobicContact CB-CD1 4.46Å; L184-L216 HydrophobicContact CB-CD2 3.51Å; L184-L216 HydrophobicContact CD1-CD1 3.86Å; L184-L216 HydrophobicContact CD1-CD2 4.17Å; L184-L216 HydrophobicContact CG-CD2 4.5Å; L184-A292 VanDerWaalsContact CD2-CA 3.44Å; L184-A292 HydrophobicContact CD2-CB 3.64Å
185	P	98.1	Very high	97.6	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.071	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-68.8	153.8	178.4	28.4	-35.4	0	0	0	110.6	E271 T272 L291	P185-E271 HydrophobicContact CB-CB 3.85Å; P185-T272 HydrophobicContact CB-CG2 3.83Å; P185-T272 HydrophobicContact CG-CG2 3.63Å; P185-L291 WeakPolarHBondContact CD-O 3.29Å; P185-L291 HydrophobicContact CG-CB 4.12Å; P185-L291 HydrophobicContact CG-CD2 4.44Å; P185-L291 WeakPolarHBondContact O-CD1 3.39Å
186	T	98.8	Very high	97.6	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.11	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-75.3	150.6	167.8	55.1	0	0	0	0	110.7	L216 A270 E271 T272	T186-L216 CarbonylContact C-O 3.6Å; T186-L216 WeakPolarHBondContact CA-O 3.5Å; T186-A270 WeakPolarHBondContact O-CB 3.34Å; T186-E271 PolarHBondContact N-OE1 3.42Å; T186-E271 PolarHBondContact O-N 3.24Å; T186-E271 PolarHBondContact OG1-OE1 3.49Å; T186-T272 PolarHBondContact O-N 2.84Å; T186-T272 PolarHBondContact O-OG1 2.92Å; T186-T272 VanDerWaalsContact O-OG1 3.05Å
187	T	98.9	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.2	178.1	-156.3	0	0	0	0	113.6	V189 L216 L217 K218 T272 T274 L287 L291	T187-V189 HydrophobicContact CG2-CG2 4.07Å; T187-L216 PolarHBondContact N-O 3.42Å; T187-L217 HydrophobicContact CG2-CD1 4.33Å; T187-K218 WeakPolarHBondContact O-CB 3.1Å; T187-K218 PolarHBondContact O-N 3.16Å; T187-T272 WeakPolarHBondContact CA-O 3.19Å; T187-T272 WeakPolarHBondContact CA-OG1 3.3Å; T187-T272 WeakPolarHBondContact CB-OG1 3.31Å; T187-T272 PolarHBondContact OG1-O 3.39Å; T187-T272 PolarHBondContact OG1-OG1 2.92Å; T187-T274 PolarHBondContact OG1-OG1 3.4Å; T187-L287 HydrophobicContact CG2-CD1 4.13Å; T187-L287 HydrophobicContact CG2-CD2 4.03Å; T187-L291 HydrophobicContact CG2-CD1 4.34Å
188	S	98.9	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.2	165	-65.3	0	0	0	0	107.1	E219 T269 A270 T272 T274	S188-E219 WeakPolarHBondContact OG-CG 3.41Å; S188-E219 PolarHBondContact OG-OE1 2.76Å; S188-T269 PolarHBondContact OG-N 2.79Å; S188-A270 WeakPolarHBondContact OG-CB 3.49Å; S188-A270 PolarHBondContact OG-N 3.42Å; S188-A270 VanDerWaalsContact OG-N 3.15Å; S188-T272 PolarHBondContact N-O 3.21Å; S188-T274 PolarHBondContact O-N 2.81Å
189	V	98.9	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.3	176.1	175.9	0	0	0	0	108.6	T187 I191 V208 L217 E219 I220 I221 T274 L276	T187-V189 HydrophobicContact CG2-CG2 4.07Å; V189-I191 HydrophobicContact CG1-CD1 4.18Å; V189-I191 HydrophobicContact CG1-CG1 4.07Å; V189-V208 HydrophobicContact CB-CG1 4.47Å; V189-V208 HydrophobicContact CG1-CG1 4.34Å; V189-V208 HydrophobicContact CG1-CG2 4.36Å; V189-V208 HydrophobicContact CG2-CG1 4.07Å; V189-L217 HydrophobicContact CB-CD1 4.22Å; V189-L217 HydrophobicContact CG2-CD1 3.49Å; V189-L217 VanDerWaalsContact CG2-CD1 3.49Å; V189-E219 PolarHBondContact N-O 2.83Å; V189-I220 HydrophobicContact CB-CG1 4.38Å; V189-I220 CarbonylContact O-C 3.5Å; V189-I220 WeakPolarHBondContact O-CA 3.49Å; V189-I221 PolarHBondContact O-N 3.25Å; V189-T274 CarbonylContact C-O 3.47Å; V189-T274 VanDerWaalsContact CA-O 3.25Å; V189-T274 WeakPolarHBondContact CA-O 3.43Å; V189-T274 HydrophobicContact CG2-CG2 4.48Å; V189-L276 HydrophobicContact CG1-CD1 4Å; V189-L276 HydrophobicContact CG1-CG 4.4Å
190	I	98.9	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.9	-178.6	-61.6	163.7	0	0	0	108.6	I221 V223 A265 A268 L273 T274 F275 L276	I190-I221 WeakPolarHBondContact CA-O 3.21Å; I190-I221 HydrophobicContact CG1-CB 4.33Å; I190-I221 HydrophobicContact CG1-CD1 4.24Å; I190-V223 HydrophobicContact CG2-CG2 4.18Å; I190-A265 HydrophobicContact CD1-CB 4.26Å; I190-A268 HydrophobicContact CD1-CB 4.37Å; I190-L273 HydrophobicContact CD1-CB 4.39Å; I190-L273 HydrophobicContact CD1-CD2 4.03Å; I190-T274 PolarHBondContact N-O 3.36Å; I190-F275 HydrophobicContact CB-CD1 3.82Å; I190-F275 HydrophobicContact CB-CE1 3.96Å; I190-F275 HydrophobicContact CD1-CD1 4.28Å; I190-F275 HydrophobicContact CD1-CE1 3.61Å; I190-F275 HydrophobicContact CD1-CZ 3.94Å; I190-F275 HydrophobicContact CG1-CE1 4.4Å; I190-F275 HydrophobicContact CG2-CD1 3.97Å; I190-F275 HydrophobicContact CG2-CE1 3.98Å; I190-F275 WeakPolarHBondContact O-CA 3.27Å; I190-L276 PolarHBondContact O-N 3.34Å; I190-L276 VanDerWaalsContact O-N 3.08Å
191	I	98.9	Very high	97.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.1	178.7	-59.5	162.6	0	0	0	108.4	V189 L201 T204 V205 I220 I221 L222 V223 L276 A278	V189-I191 HydrophobicContact CG1-CD1 4.18Å; V189-I191 HydrophobicContact CG1-CG1 4.07Å; I191-L201 HydrophobicContact CG2-CD1 4.41Å; I191-T204 HydrophobicContact CD1-CG2 3.93Å; I191-V205 HydrophobicContact CD1-CG2 4.45Å; I191-I220 HydrophobicContact CD1-CG2 3.98Å; I191-I221 PolarHBondContact N-O 3.25Å; I191-L222 HydrophobicContact CB-CD2 3.79Å; I191-L222 HydrophobicContact CD1-CD2 3.93Å; I191-L222 HydrophobicContact CG1-CD2 4.39Å; I191-L222 HydrophobicContact CG2-CD2 4.28Å; I191-L222 CarbonylContact O-C 3.53Å; I191-L222 WeakPolarHBondContact O-CA 3.29Å; I191-V223 PolarHBondContact O-N 3.25Å; I191-L276 WeakPolarHBondContact CA-O 3.45Å; I191-L276 HydrophobicContact CG1-CB 4.1Å; I191-A278 HydrophobicContact CG2-CB 3.76Å
192	V	98.6	Very high	98.2	Very high	15 Å²	15	13.8 Å²	13.8	9%	0.091	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.5	173.4	177.5	0	0	0	0	109.3	V223 D225 L257 A260 R261	V192-V223 WeakPolarHBondContact CA-O 3.3Å; V192-V223 HydrophobicContact CG2-CB 4.19Å; V192-D225 HydrophobicContact CG1-CB 4.46Å; V192-L257 HydrophobicContact CB-CD1 3.85Å; V192-L257 HydrophobicContact CG1-CD1 3.96Å; V192-L257 HydrophobicContact CG2-CD1 4.2Å; V192-A260 HydrophobicContact CB-CB 4.32Å; V192-A260 HydrophobicContact CG1-CB 3.48Å; V192-A260 VanDerWaalsContact CG1-CB 3.48Å; V192-A260 HydrophobicContact CG2-CB 3.82Å; V192-R261 HydrophobicContact CG2-CB 4.44Å; V192-R261 HydrophobicContact CG2-CG 3.6Å
193	F	98.4	Very high	98.4	Very high	5 Å²	5	11.1 Å²	11.1	2%	0.022	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.8	175.1	70.2	-83.9	0	0	0	112.3	E196 L201 L222 V223 D224 D225 L232 L236 A278	F193-E196 HydrophobicContact CB-CB 4.09Å; F193-L201 HydrophobicContact CB-CD1 4.39Å; F193-L201 HydrophobicContact CD1-CD1 4.29Å; F193-L201 HydrophobicContact CD2-CD2 4.25Å; F193-L201 HydrophobicContact CE2-CD2 4.35Å; F193-L201 HydrophobicContact CG-CD1 4.33Å; F193-L201 HydrophobicContact CG-CD2 4.33Å; F193-L222 HydrophobicContact CD1-CB 4.48Å; F193-L222 HydrophobicContact CE1-CB 3.96Å; F193-V223 WeakPolarHBondContact CD1-O 3.42Å; F193-V223 PolarHBondContact N-O 2.8Å; F193-D224 HydrophobicContact CE1-CB 3.88Å; F193-D224 HydrophobicContact CE2-CB 3.89Å; F193-D224 HydrophobicContact CZ-CB 3.43Å; F193-D224 VanDerWaalsContact CZ-CB 3.43Å; F193-D225 PolarHBondContact O-N 2.87Å; F193-L232 HydrophobicContact CD2-CD1 4.12Å; F193-L232 HydrophobicContact CD2-CD2 4.42Å; F193-L232 HydrophobicContact CE2-CB 4.15Å; F193-L232 HydrophobicContact CE2-CD1 4.04Å; F193-L232 HydrophobicContact CE2-CD2 4.09Å; F193-L232 HydrophobicContact CE2-CG 4.32Å; F193-L236 HydrophobicContact CE1-CD2 4.41Å; F193-L236 HydrophobicContact CE2-CD2 4.26Å; F193-L236 HydrophobicContact CZ-CD2 3.71Å; F193-A278 HydrophobicContact CB-CB 3.74Å
194	H	97.2	Very high	98.5	Very high	21 Å²	21	9.2 Å²	9.2	10%	0.097	5%	0.047	C	C	.	.	S	Bend	trans	-145.9	111.1	172.2	176.7	73.5	0	0	0	108.8	E196 D225 A226 S227 R254 H423	H194-E196 PolarHBondContact O-N 3.08Å; H194-D225 HydrophobicContact CB-CB 4.34Å; H194-D225 PolarHBondContact ND1-O 3.15Å; H194-A226 PolarHBondContact CE1-O 3.18Å; H194-A226 PolarHBondContact ND1-O 3.08Å; H194-S227 WeakPolarHBondContact CA-OG 3.31Å; H194-R254 PolarHBondContact CE1-NE 2.78Å; H194-R254 PolarHBondContact NE2-NE 2.75Å; H194-H423 AromaticContact CD2-ND1 3.56Å; H194-H423 PolarHBondContact O-CE1 3.42Å; H194-H423 VanDerWaalsContact O-CE1 3.31Å
195	N	97.1	Very high	98.6	Very high	42 Å²	42	9 Å²	9	23%	0.225	5%	0.045	C	C	.	.	S	Bend	trans	52.9	37.2	-177.3	-61.7	-34.4	0	0	0	113.8	H148 S227 V228	H148-N195 PolarHBondContact ND1-O 3.06Å; N195-S227 PolarHBondContact N-OG 3.04Å; N195-S227 WeakPolarHBondContact OD1-CA 3.26Å; N195-V228 PolarHBondContact OD1-N 2.66Å
196	E	98.4	Very high	98.6	Very high	7 Å²	7	8.7 Å²	8.7	3%	0.033	4%	0.043	C	C	.	.			trans	-73.3	147.1	177.1	-170.6	57.4	-98.3	0	0	111	F150 F193 H194 T200 L201 Y231 A278 H279 R418	F150-E196 WeakPolarHBondContact CZ-OE1 3.49Å; F193-E196 HydrophobicContact CB-CB 4.09Å; H194-E196 PolarHBondContact O-N 3.08Å; E196-T200 PolarHBondContact OE1-OG1 3.08Å; E196-L201 HydrophobicContact CB-CB 4.43Å; E196-L201 HydrophobicContact CG-CB 4.02Å; E196-Y231 PolarHBondContact O-OH 2.84Å; E196-A278 HydrophobicContact CB-CB 4.25Å; E196-A278 HydrophobicContact CG-CB 3.76Å; E196-H279 IonicContact OE2-CE1 3.16Å; E196-H279 IonicContact OE2-CG 3.83Å; E196-H279 IonicContact OE2-ND1 2.71Å; E196-H279 PolarHBondContact OE2-ND1 3.38Å; E196-R418 IonicContact OE1-NH2 2.74Å; E196-R418 IonicContact OE2-NH2 2.77Å; E196-R418 PolarHBondContact OE2-NH2 2.81Å
197	A	98.4	Very high	98.6	Very high	3 Å²	3	8.1 Å²	8.1	3%	0.025	4%	0.039	C	C	.	.			trans	-64.7	140.9	175.9	0	0	0	0	0	110.6	F150 S199 T200 L201	F150-A197 HydrophobicContact CE2-CB 4.31Å; F150-A197 HydrophobicContact CZ-CB 3.93Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 2.83Å; A197-T200 PolarHBondContact O-N 2.77Å; A197-T200 PolarHBondContact O-OG1 3.2Å; A197-L201 WeakPolarHBondContact O-CB 3.12Å; A197-L201 PolarHBondContact O-N 2.96Å
198	W	98.8	Very high	98.6	Very high	52 Å²	52	8.1 Å²	8.1	20%	0.197	4%	0.039	C	C	.	.	H	α-helix	trans	-54.1	-44.6	-178.9	176.1	-90.8	0	0	0	112.3	L202 Y231 K235 L236 Y239	W198-L202 HydrophobicContact CD2-CD1 3.9Å; W198-L202 HydrophobicContact CD2-CG 4.48Å; W198-L202 HydrophobicContact CG-CD1 4.4Å; W198-L202 HydrophobicContact CH2-CD1 4.06Å; W198-L202 HydrophobicContact CZ2-CD1 3.36Å; W198-L202 WeakPolarHBondContact O-CB 3.31Å; W198-L202 PolarHBondContact O-N 2.92Å; W198-Y231 HydrophobicContact CB-CD2 4.09Å; W198-Y231 HydrophobicContact CB-CE2 4.12Å; W198-Y231 HydrophobicContact CE3-CD2 4.02Å; W198-Y231 VanDerWaalsContact CZ3-O 3.3Å; W198-Y231 WeakPolarHBondContact CZ3-O 3.43Å; W198-K235 HydrophobicContact CH2-CD 4.1Å; W198-K235 HydrophobicContact CH2-CG 3.8Å; W198-K235 HydrophobicContact CZ3-CB 4.5Å; W198-K235 HydrophobicContact CZ3-CD 4.07Å; W198-K235 HydrophobicContact CZ3-CG 3.96Å; W198-L236 HydrophobicContact CZ3-CB 4.1Å; W198-L236 HydrophobicContact CZ3-CD1 4.05Å; W198-Y239 HydrophobicContact CH2-CD2 4.35Å; W198-Y239 HydrophobicContact CH2-CG 4.01Å; W198-Y239 AromaticContact CZ2-CD2 3.98Å; W198-Y239 HydrophobicContact CZ2-CD2 3.98Å; W198-Y239 HydrophobicContact CZ2-CE2 4.47Å; W198-Y239 HydrophobicContact CZ2-CG 4.01Å
199	S	98.8	Very high	98.6	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.028	4%	0.04	C	C	.	.	H	α-helix	trans	-66.8	-40.9	-177.1	56	0	0	0	0	113.1	S155 D156 L160 A197 R203	S155-S199 WeakPolarHBondContact CB-OG 3.35Å; S155-S199 WeakPolarHBondContact OG-CB 3.24Å; S155-S199 PolarHBondContact OG-OG 2.78Å; D156-S199 WeakPolarHBondContact OD1-CB 3.43Å; D156-S199 PolarHBondContact OD1-OG 2.83Å; L160-S199 VanDerWaalsContact CD2-O 3.28Å; L160-S199 WeakPolarHBondContact CD2-O 3.46Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 2.83Å; S199-R203 WeakPolarHBondContact O-CB 3.37Å; S199-R203 PolarHBondContact O-N 2.95Å
200	T	98.6	Very high	98.6	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.018	5%	0.045	C	C	.	.	H	α-helix	trans	-72.5	-44.2	178.8	46.3	0	0	0	0	112	F150 S155 E196 A197 R203 T204 A278 H279 F314	F150-T200 HydrophobicContact CE2-CG2 3.76Å; F150-T200 HydrophobicContact CZ-CG2 3.68Å; S155-T200 WeakPolarHBondContact OG-CG2 3.16Å; E196-T200 PolarHBondContact OE1-OG1 3.08Å; A197-T200 PolarHBondContact O-N 2.77Å; A197-T200 PolarHBondContact O-OG1 3.2Å; T200-R203 PolarHBondContact O-N 3.3Å; T200-T204 PolarHBondContact O-N 3.45Å; T200-T204 PolarHBondContact O-OG1 2.05Å; T200-A278 CarbonylContact C-O 3.52Å; T200-A278 VanDerWaalsContact C-O 3.25Å; T200-H279 HydrophobicContact CG2-CB 4.49Å; T200-F314 HydrophobicContact CG2-CE1 3.91Å; T200-F314 HydrophobicContact CG2-CZ 4.06Å
201	L	98.9	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.1	-52.4	177	174.5	61.5	0	0	0	111	I191 F193 E196 A197 T204 V205 L222 L232 L236 A278	I191-L201 HydrophobicContact CG2-CD1 4.41Å; F193-L201 HydrophobicContact CB-CD1 4.39Å; F193-L201 HydrophobicContact CD1-CD1 4.29Å; F193-L201 HydrophobicContact CD2-CD2 4.25Å; F193-L201 HydrophobicContact CE2-CD2 4.35Å; F193-L201 HydrophobicContact CG-CD1 4.33Å; F193-L201 HydrophobicContact CG-CD2 4.33Å; E196-L201 HydrophobicContact CB-CB 4.43Å; E196-L201 HydrophobicContact CG-CB 4.02Å; A197-L201 WeakPolarHBondContact O-CB 3.12Å; A197-L201 PolarHBondContact O-N 2.96Å; L201-T204 WeakPolarHBondContact O-CB 3.46Å; L201-T204 PolarHBondContact O-N 2.92Å; L201-V205 PolarHBondContact O-N 3.3Å; L201-V205 VanDerWaalsContact O-N 3.13Å; L201-L222 HydrophobicContact CD1-CD2 4.48Å; L201-L232 HydrophobicContact CD2-CD2 3.77Å; L201-L236 HydrophobicContact CD2-CD1 4.19Å; L201-L236 HydrophobicContact CD2-CD2 3.93Å; L201-A278 VanDerWaalsContact CA-O 3.28Å; L201-A278 WeakPolarHBondContact CA-O 3.03Å; L201-A278 HydrophobicContact CD1-CB 3.89Å; L201-A278 PolarHBondContact N-O 3.19Å
202	L	98.8	Very high	98.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-71.9	-33	-178.3	-71.2	-173.5	0	0	0	113.3	L160 W198 T204 V205 H206 L236 Y239	L160-L202 HydrophobicContact CD1-CB 4.05Å; L160-L202 HydrophobicContact CD1-CD1 4.23Å; L160-L202 HydrophobicContact CD2-CB 4.34Å; W198-L202 HydrophobicContact CD2-CD1 3.9Å; W198-L202 HydrophobicContact CD2-CG 4.48Å; W198-L202 HydrophobicContact CG-CD1 4.4Å; W198-L202 HydrophobicContact CH2-CD1 4.06Å; W198-L202 HydrophobicContact CZ2-CD1 3.36Å; W198-L202 WeakPolarHBondContact O-CB 3.31Å; W198-L202 PolarHBondContact O-N 2.92Å; L202-T204 PolarHBondContact O-N 2.84Å; L202-V205 PolarHBondContact O-N 3.38Å; L202-H206 WeakPolarHBondContact O-CB 3.37Å; L202-H206 PolarHBondContact O-CD2 3.37Å; L202-H206 VanDerWaalsContact O-CD2 3.25Å; L202-H206 PolarHBondContact O-N 3.31Å; L202-L236 HydrophobicContact CD2-CD1 4.01Å; L202-Y239 HydrophobicContact CD1-CD1 3.7Å; L202-Y239 HydrophobicContact CD1-CE1 3.4Å; L202-Y239 VanDerWaalsContact CD1-CE1 3.4Å; L202-Y239 HydrophobicContact CD1-CE2 4.27Å; L202-Y239 HydrophobicContact CD1-CG 4.26Å; L202-Y239 HydrophobicContact CD2-CD1 3.66Å; L202-Y239 HydrophobicContact CD2-CE1 3.61Å; L202-Y239 HydrophobicContact CG-CD1 4.36Å; L202-Y239 HydrophobicContact CG-CE1 4.1Å
203	R	98.9	Very high	98.6	Very high	6 Å²	6	9.4 Å²	9.4	2%	0.023	5%	0.045	C	C	.	.	H	α-helix	trans	-60.4	-37.5	171.8	-171.1	178.7	-56.6	107.8	7.2	110.8	S155 I158 S159 L160 S199 T200 S207 E281	S155-R203 PolarHBondContact O-NH2 2.88Å; S155-R203 PolarHBondContact OG-NH1 3.01Å; S155-R203 PolarHBondContact OG-NH2 3.43Å; I158-R203 PolarHBondContact O-NH2 2.98Å; S159-R203 PolarHBondContact O-NE 3.21Å; S159-R203 VanDerWaalsContact O-NE 3.15Å; L160-R203 HydrophobicContact CD2-CB 4.29Å; S199-R203 WeakPolarHBondContact O-CB 3.37Å; S199-R203 PolarHBondContact O-N 2.95Å; T200-R203 PolarHBondContact O-N 3.3Å; R203-S207 WeakPolarHBondContact O-CB 3.3Å; R203-S207 PolarHBondContact O-N 3.3Å; R203-E281 HydrophobicContact CG-CG 4.12Å
204	T	98.9	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.3	-51.6	173.5	-53.2	0	0	0	0	111.4	I191 T200 L201 L202 H206 S207 V208 A278 H279 C280	I191-T204 HydrophobicContact CD1-CG2 3.93Å; T200-T204 PolarHBondContact O-N 3.45Å; T200-T204 PolarHBondContact O-OG1 2.05Å; L201-T204 WeakPolarHBondContact O-CB 3.46Å; L201-T204 PolarHBondContact O-N 2.92Å; L202-T204 PolarHBondContact O-N 2.84Å; T204-H206 PolarHBondContact O-N 3.49Å; T204-S207 PolarHBondContact O-N 3.43Å; T204-V208 WeakPolarHBondContact O-CG2 3.38Å; T204-V208 PolarHBondContact O-N 2.77Å; T204-A278 PolarHBondContact OG1-O 3.3Å; T204-A278 VanDerWaalsContact OG1-O 3.07Å; T204-H279 PolarHBondContact OG1-N 2.76Å; T204-C280 VanDerWaalsContact CA-O 3.31Å; T204-C280 WeakPolarHBondContact CA-O 3.05Å; T204-C280 HydrophobicContact CG2-CB 4.05Å; T204-C280 PolarHBondContact OG1-N 2.9Å; T204-C280 PolarHBondContact OG1-O 2.72Å
205	V	98.9	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.4	-49	179	175.7	0	0	0	0	111.6	I191 L201 L202 S207 V208 L209 I220 L222 V246	I191-V205 HydrophobicContact CD1-CG2 4.45Å; L201-V205 PolarHBondContact O-N 3.3Å; L201-V205 VanDerWaalsContact O-N 3.13Å; L202-V205 PolarHBondContact O-N 3.38Å; V205-S207 VanDerWaalsContact C-N 3.35Å; V205-S207 PolarHBondContact O-N 2.95Å; V205-V208 PolarHBondContact O-N 3.42Å; V205-L209 HydrophobicContact CG1-CD1 4.04Å; V205-L209 WeakPolarHBondContact O-CG 3.38Å; V205-L209 PolarHBondContact O-N 2.85Å; V205-I220 HydrophobicContact CG1-CD1 4.34Å; V205-L222 HydrophobicContact CG2-CD1 4.11Å; V205-L222 HydrophobicContact CG2-CD2 3.81Å; V205-V246 HydrophobicContact CG1-CG2 4.23Å
206	H	98.9	Very high	98.7	Very high	5 Å²	5	12.6 Å²	12.6	2%	0.023	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-43	176.9	-87	-71.8	0	0	0	112.1	L160 H161 L202 T204 V208 L209 Y210 Y239 F243	L160-H206 WeakPolarHBondContact O-CB 3.23Å; H161-H206 AromaticContact CE1-CE1 3.48Å; H161-H206 PolarHBondContact CE1-CE1 3.48Å; H161-H206 VanDerWaalsContact CE1-CE1 3.48Å; H161-H206 AromaticContact CE1-ND1 3.68Å; H161-H206 AromaticContact CE1-NE2 3.69Å; H161-H206 AromaticContact ND1-CE1 3.78Å; H161-H206 AromaticContact ND1-CG 3.78Å; H161-H206 AromaticContact ND1-ND1 3.5Å; H161-H206 PolarHBondContact ND1-ND1 2.89Å; L202-H206 WeakPolarHBondContact O-CB 3.37Å; L202-H206 PolarHBondContact O-CD2 3.37Å; L202-H206 VanDerWaalsContact O-CD2 3.25Å; L202-H206 PolarHBondContact O-N 3.31Å; T204-H206 PolarHBondContact O-N 3.49Å; H206-V208 VanDerWaalsContact C-N 3.32Å; H206-V208 PolarHBondContact O-N 2.78Å; H206-L209 PolarHBondContact O-N 3.47Å; H206-Y210 HydrophobicContact CB-CD2 4.12Å; H206-Y210 HydrophobicContact CB-CE2 3.7Å; H206-Y210 AromaticContact ND1-CE2 3.71Å; H206-Y210 AromaticContact ND1-CZ 3.66Å; H206-Y210 PolarHBondContact ND1-OH 3.18Å; H206-Y210 WeakPolarHBondContact O-CB 3.11Å; H206-Y210 WeakPolarHBondContact O-CD2 3.26Å; H206-Y210 VanDerWaalsContact O-CG 3.27Å; H206-Y210 PolarHBondContact O-N 2.97Å; H206-Y239 AromaticContact NE2-CZ 3.94Å; H206-Y239 PolarHBondContact NE2-OH 3.17Å; H206-F243 AromaticContact CE1-CZ 3.46Å; H206-F243 VanDerWaalsContact CE1-CZ 3.46Å; H206-F243 WeakPolarHBondContact CE1-CZ 3.2Å; H206-F243 AromaticContact NE2-CZ 3.75Å
207	S	98.9	Very high	98.7	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-59.2	-44.2	178.8	-167.6	0	0	0	0	111.4	R203 T204 V205 Y210 S211 C282	R203-S207 WeakPolarHBondContact O-CB 3.3Å; R203-S207 PolarHBondContact O-N 3.3Å; T204-S207 PolarHBondContact O-N 3.43Å; V205-S207 VanDerWaalsContact C-N 3.35Å; V205-S207 PolarHBondContact O-N 2.95Å; S207-Y210 PolarHBondContact O-N 3.12Å; S207-S211 WeakPolarHBondContact O-CB 3.2Å; S207-S211 PolarHBondContact O-N 3.4Å; S207-S211 VanDerWaalsContact O-N 3.11Å; S207-S211 PolarHBondContact O-OG 3.12Å; S207-C282 PolarHBondContact OG-N 2.85Å; S207-C282 PolarHBondContact OG-O 2.97Å
208	V	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-48.8	173.5	172.9	0	0	0	0	111	V189 T204 V205 H206 Y210 S211 S212 L217 I220 L276 W286	V189-V208 HydrophobicContact CB-CG1 4.47Å; V189-V208 HydrophobicContact CG1-CG1 4.34Å; V189-V208 HydrophobicContact CG1-CG2 4.36Å; V189-V208 HydrophobicContact CG2-CG1 4.07Å; T204-V208 WeakPolarHBondContact O-CG2 3.38Å; T204-V208 PolarHBondContact O-N 2.77Å; V205-V208 PolarHBondContact O-N 3.42Å; H206-V208 VanDerWaalsContact C-N 3.32Å; H206-V208 PolarHBondContact O-N 2.78Å; V208-Y210 VanDerWaalsContact C-N 3.31Å; V208-Y210 PolarHBondContact O-N 2.84Å; V208-S211 PolarHBondContact O-N 3.44Å; V208-S212 WeakPolarHBondContact O-CB 3.13Å; V208-S212 PolarHBondContact O-N 3.27Å; V208-S212 PolarHBondContact O-OG 3.36Å; V208-L217 HydrophobicContact CG1-CD1 4.29Å; V208-L217 HydrophobicContact CG1-CD2 3.82Å; V208-I220 HydrophobicContact CB-CD1 4.09Å; V208-I220 HydrophobicContact CG1-CD1 3.64Å; V208-I220 HydrophobicContact CG1-CG1 4.12Å; V208-L276 HydrophobicContact CG2-CD1 3.6Å; V208-W286 HydrophobicContact CG2-CZ2 4.49Å
209	L	98.8	Very high	98.7	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-34.8	-179.4	-69	168.1	0	0	0	113.4	V110 L111 V205 H206 L217 I220 F243 I245	V110-L209 HydrophobicContact CB-CD2 4.25Å; V110-L209 HydrophobicContact CG1-CD2 3.93Å; V110-L209 PolarHBondContact N-O 2.86Å; L111-L209 HydrophobicContact CB-CB 4.49Å; L111-L209 HydrophobicContact CD1-CB 3.99Å; L111-L209 HydrophobicContact CD1-CD1 3.93Å; L111-L209 HydrophobicContact CD1-CG 4.45Å; L111-L209 HydrophobicContact CG-CB 4.28Å; L111-L209 PolarHBondContact N-O 2.87Å; L111-L209 VanDerWaalsContact N-O 3.14Å; V205-L209 HydrophobicContact CG1-CD1 4.04Å; V205-L209 WeakPolarHBondContact O-CG 3.38Å; V205-L209 PolarHBondContact O-N 2.85Å; H206-L209 PolarHBondContact O-N 3.47Å; L209-L217 HydrophobicContact CD2-CD2 4.25Å; L209-I220 HydrophobicContact CD2-CD1 3.81Å; L209-I220 HydrophobicContact CG-CD1 3.86Å; L209-F243 HydrophobicContact CD1-CD1 3.75Å; L209-F243 HydrophobicContact CD1-CD2 4.37Å; L209-F243 HydrophobicContact CD1-CE1 4.01Å; L209-F243 HydrophobicContact CD1-CG 3.95Å; L209-F243 HydrophobicContact CD1-CZ 4.45Å; L209-I245 HydrophobicContact CD2-CD1 3.96Å; L209-I245 HydrophobicContact CD2-CG1 4.27Å
210	Y	98.7	Very high	98.7	Very high	27 Å²	27	15.5 Å²	15.5	11%	0.106	8%	0.083	C	C	.	.	H	α-helix	trans	-81.7	-18.8	-179.9	-65.7	-43.6	0	0	0	114.5	P109 L111 D112 R113 H161 H206 S207 V208	P109-Y210 VanDerWaalsContact CB-O 3.3Å; P109-Y210 WeakPolarHBondContact CB-O 3.13Å; L111-Y210 HydrophobicContact CB-CD1 3.77Å; L111-Y210 HydrophobicContact CB-CE1 3.7Å; L111-Y210 HydrophobicContact CD1-CE1 4.38Å; L111-Y210 WeakPolarHBondContact O-CD1 3.35Å; D112-Y210 WeakPolarHBondContact O-CE1 3.2Å; R113-Y210 HydrophobicContact CB-CD1 3.98Å; R113-Y210 HydrophobicContact CB-CD2 4.48Å; R113-Y210 HydrophobicContact CB-CE1 4.45Å; R113-Y210 HydrophobicContact CB-CG 4.03Å; R113-Y210 HydrophobicContact CG-CD2 4.37Å; R113-Y210 HydrophobicContact CG-CG 4.41Å; H161-Y210 HydrophobicContact CB-CE2 3.88Å; H161-Y210 AromaticContact ND1-CE2 3.61Å; H161-Y210 AromaticContact ND1-CZ 3.69Å; H161-Y210 PolarHBondContact ND1-OH 3.1Å; H206-Y210 HydrophobicContact CB-CD2 4.12Å; H206-Y210 HydrophobicContact CB-CE2 3.7Å; H206-Y210 AromaticContact ND1-CE2 3.71Å; H206-Y210 AromaticContact ND1-CZ 3.66Å; H206-Y210 PolarHBondContact ND1-OH 3.18Å; H206-Y210 WeakPolarHBondContact O-CB 3.11Å; H206-Y210 WeakPolarHBondContact O-CD2 3.26Å; H206-Y210 VanDerWaalsContact O-CG 3.27Å; H206-Y210 PolarHBondContact O-N 2.97Å; S207-Y210 PolarHBondContact O-N 3.12Å; V208-Y210 VanDerWaalsContact C-N 3.31Å; V208-Y210 PolarHBondContact O-N 2.84Å
211	S	98.2	Very high	98.7	Very high	13 Å²	13	15.4 Å²	15.4	9%	0.091	8%	0.082	C	C	.	.	H	α-helix	trans	-118.8	-6.9	-171.4	63.4	0	0	0	0	114.1	S207 V208 C282 W286	S207-S211 WeakPolarHBondContact O-CB 3.2Å; S207-S211 PolarHBondContact O-N 3.4Å; S207-S211 VanDerWaalsContact O-N 3.11Å; S207-S211 PolarHBondContact O-OG 3.12Å; V208-S211 PolarHBondContact O-N 3.44Å; S211-C282 WeakPolarHBondContact OG-CB 3.3Å; S211-W286 PolarHBondContact OG-NE1 3.42Å
212	S	98.8	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-104.1	125.1	-179.1	-51.8	0	0	0	0	110.8	P109 V110 V208 A214	P109-S212 VanDerWaalsContact CA-O 3.26Å; P109-S212 WeakPolarHBondContact CA-O 3.3Å; V110-S212 PolarHBondContact N-O 3.12Å; V208-S212 WeakPolarHBondContact O-CB 3.13Å; V208-S212 PolarHBondContact O-N 3.27Å; V208-S212 PolarHBondContact O-OG 3.36Å; S212-A214 PolarHBondContact O-N 3.17Å
213	P	98.7	Very high	98.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.013	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-55.3	135.8	175.8	-29.6	37.1	0	0	0	113.3	L107 K108 I215 L216 L217 E288	L107-P213 HydrophobicContact CB-CB 4.38Å; L107-P213 HydrophobicContact CB-CG 4.2Å; L107-P213 HydrophobicContact CD2-CB 4.08Å; L107-P213 HydrophobicContact CD2-CG 4.08Å; K108-P213 WeakPolarHBondContact O-CA 3.33Å; P213-I215 HydrophobicContact CB-CG1 4.48Å; P213-I215 PolarHBondContact O-N 2.99Å; P213-L216 HydrophobicContact CB-CB 4.39Å; P213-L216 HydrophobicContact CB-CD1 3.95Å; P213-L216 HydrophobicContact CB-CG 3.98Å; P213-L216 HydrophobicContact CG-CD1 3.94Å; P213-L216 PolarHBondContact O-N 3.24Å; P213-L217 PolarHBondContact O-N 2.03Å; P213-E288 HydrophobicContact CG-CG 4Å; P213-E288 WeakPolarHBondContact CG-OE1 3.11Å
214	A	98.3	Very high	98.7	Very high	53 Å²	53	15.3 Å²	15.3	44%	0.438	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.4	-174.8	0	0	0	0	0	113.8	K108 V110 S212 L216	K108-A214 PolarHBondContact O-N 2.77Å; V110-A214 HydrophobicContact CG2-CB 4.02Å; S212-A214 PolarHBondContact O-N 3.17Å; A214-L216 PolarHBondContact O-N 2.85Å
215	I	98	Very high	98.7	Very high	81 Å²	81	15.6 Å²	15.6	42%	0.415	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17	177.5	65.6	171.5	0	0	0	113.2	Y102 E106 L107 P213	Y102-I215 HydrophobicContact CD1-CD1 3.79Å; Y102-I215 HydrophobicContact CE1-CD1 3.63Å; E106-I215 HydrophobicContact CB-CD1 4.41Å; E106-I215 WeakPolarHBondContact O-CD1 3.09Å; L107-I215 HydrophobicContact CD2-CD1 4.21Å; P213-I215 HydrophobicContact CB-CG1 4.48Å; P213-I215 PolarHBondContact O-N 2.99Å
216	L	98.6	Very high	98.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-36	-176.4	-54.1	-178.4	0	0	0	112	L107 L184 T186 T187 P213 A214 K218 L287 E288 L291	L107-L216 HydrophobicContact CD2-CD1 4.42Å; L184-L216 HydrophobicContact CB-CD1 4.46Å; L184-L216 HydrophobicContact CB-CD2 3.51Å; L184-L216 HydrophobicContact CD1-CD1 3.86Å; L184-L216 HydrophobicContact CD1-CD2 4.17Å; L184-L216 HydrophobicContact CG-CD2 4.5Å; T186-L216 CarbonylContact C-O 3.6Å; T186-L216 WeakPolarHBondContact CA-O 3.5Å; T187-L216 PolarHBondContact N-O 3.42Å; P213-L216 HydrophobicContact CB-CB 4.39Å; P213-L216 HydrophobicContact CB-CD1 3.95Å; P213-L216 HydrophobicContact CB-CG 3.98Å; P213-L216 HydrophobicContact CG-CD1 3.94Å; P213-L216 PolarHBondContact O-N 3.24Å; A214-L216 PolarHBondContact O-N 2.85Å; L216-K218 PolarHBondContact O-N 2.86Å; L216-L287 HydrophobicContact CB-CD2 4.3Å; L216-E288 HydrophobicContact CD1-CG 4.08Å; L216-L291 HydrophobicContact CB-CD1 4.02Å; L216-L291 HydrophobicContact CD1-CD1 4.08Å; L216-L291 HydrophobicContact CG-CD1 4.48Å
217	L	98.8	Very high	98.5	Very high	8 Å²	8	16.8 Å²	16.8	4%	0.042	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	98.6	-177.5	-175.1	59.1	0	0	0	111.3	V110 T187 V189 V208 L209 P213 I220 I245	V110-L217 HydrophobicContact CG2-CB 4.09Å; V110-L217 HydrophobicContact CG2-CD2 3.94Å; V110-L217 HydrophobicContact CG2-CG 4.45Å; T187-L217 HydrophobicContact CG2-CD1 4.33Å; V189-L217 HydrophobicContact CB-CD1 4.22Å; V189-L217 HydrophobicContact CG2-CD1 3.49Å; V189-L217 VanDerWaalsContact CG2-CD1 3.49Å; V208-L217 HydrophobicContact CG1-CD1 4.29Å; V208-L217 HydrophobicContact CG1-CD2 3.82Å; L209-L217 HydrophobicContact CD2-CD2 4.25Å; P213-L217 PolarHBondContact O-N 2.03Å; L217-I220 HydrophobicContact CD1-CG1 4.16Å; L217-I220 HydrophobicContact CD2-CD1 4.15Å; L217-I220 HydrophobicContact CD2-CG1 4.13Å; L217-I245 HydrophobicContact CD2-CD1 3.95Å; L217-I245 HydrophobicContact CG-CD1 3.99Å
218	K	98.7	Very high	98.5	Very high	114 Å²	114	21.9 Å²	21.9	50%	0.496	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-46.2	-179.2	-175.1	66.5	175.9	-174.9	0	112	T187 L216 A270	T187-K218 WeakPolarHBondContact O-CB 3.1Å; T187-K218 PolarHBondContact O-N 3.16Å; L216-K218 PolarHBondContact O-N 2.86Å; K218-A270 HydrophobicContact CB-CB 3.79Å; K218-A270 HydrophobicContact CG-CB 4.13Å
219	E	98.7	Very high	98.4	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.019	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	155.9	-177.5	60	-165	151.2	0	0	111.6	S188 V189 I221 I245 K247 T269	S188-E219 WeakPolarHBondContact OG-CG 3.41Å; S188-E219 PolarHBondContact OG-OE1 2.76Å; V189-E219 PolarHBondContact N-O 2.83Å; E219-I221 HydrophobicContact CG-CD1 4.03Å; E219-I221 HydrophobicContact CG-CG1 4.08Å; E219-I245 CarbonylContact C-O 3.55Å; E219-I245 VanDerWaalsContact CA-O 3.28Å; E219-I245 WeakPolarHBondContact CA-O 3.3Å; E219-K247 IonicContact OE2-NZ 3.09Å; E219-K247 PolarHBondContact OE2-NZ 3.04Å; E219-T269 PolarHBondContact OE1-N 2.89Å; E219-T269 PolarHBondContact OE1-OG1 2.77Å
220	I	98.9	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.8	166.7	-55.8	178.4	0	0	0	107.3	V189 I191 V205 V208 L209 L217 L222 I245 V246 K247	V189-I220 HydrophobicContact CB-CG1 4.38Å; V189-I220 CarbonylContact O-C 3.5Å; V189-I220 WeakPolarHBondContact O-CA 3.49Å; I191-I220 HydrophobicContact CD1-CG2 3.98Å; V205-I220 HydrophobicContact CG1-CD1 4.34Å; V208-I220 HydrophobicContact CB-CD1 4.09Å; V208-I220 HydrophobicContact CG1-CD1 3.64Å; V208-I220 HydrophobicContact CG1-CG1 4.12Å; L209-I220 HydrophobicContact CD2-CD1 3.81Å; L209-I220 HydrophobicContact CG-CD1 3.86Å; L217-I220 HydrophobicContact CD1-CG1 4.16Å; L217-I220 HydrophobicContact CD2-CD1 4.15Å; L217-I220 HydrophobicContact CD2-CG1 4.13Å; I220-L222 HydrophobicContact CG2-CD2 4Å; I220-I245 PolarHBondContact N-O 3.01Å; I220-V246 HydrophobicContact CB-CG2 4.13Å; I220-V246 HydrophobicContact CD1-CG2 4.16Å; I220-V246 HydrophobicContact CG1-CG2 4.5Å; I220-V246 CarbonylContact O-C 3.56Å; I220-V246 WeakPolarHBondContact O-CA 3.27Å; I220-K247 PolarHBondContact O-N 2.97Å
221	I	98.9	Very high	98.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	107.3	-179.1	-60.3	159.4	0	0	0	107.7	V189 I190 I191 E219 V223 V249 V267 A268	V189-I221 PolarHBondContact O-N 3.25Å; I190-I221 WeakPolarHBondContact CA-O 3.21Å; I190-I221 HydrophobicContact CG1-CB 4.33Å; I190-I221 HydrophobicContact CG1-CD1 4.24Å; I191-I221 PolarHBondContact N-O 3.25Å; E219-I221 HydrophobicContact CG-CD1 4.03Å; E219-I221 HydrophobicContact CG-CG1 4.08Å; I221-V223 HydrophobicContact CG2-CG2 3.91Å; I221-V249 HydrophobicContact CG2-CG2 3.82Å; I221-V267 HydrophobicContact CD1-CG2 4.09Å; I221-V267 HydrophobicContact CG2-CG2 4Å; I221-A268 HydrophobicContact CD1-CB 3.75Å
222	L	98.9	Very high	98.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.4	172.7	-57.6	-175	0	0	0	108.6	I191 F193 L201 V205 I220 V240 V246 K247 I248 V249	I191-L222 HydrophobicContact CB-CD2 3.79Å; I191-L222 HydrophobicContact CD1-CD2 3.93Å; I191-L222 HydrophobicContact CG1-CD2 4.39Å; I191-L222 HydrophobicContact CG2-CD2 4.28Å; I191-L222 CarbonylContact O-C 3.53Å; I191-L222 WeakPolarHBondContact O-CA 3.29Å; F193-L222 HydrophobicContact CD1-CB 4.48Å; F193-L222 HydrophobicContact CE1-CB 3.96Å; L201-L222 HydrophobicContact CD1-CD2 4.48Å; V205-L222 HydrophobicContact CG2-CD1 4.11Å; V205-L222 HydrophobicContact CG2-CD2 3.81Å; I220-L222 HydrophobicContact CG2-CD2 4Å; L222-V240 HydrophobicContact CD1-CG1 4.14Å; L222-V246 HydrophobicContact CD1-CG1 4.01Å; L222-V246 HydrophobicContact CG-CG1 4.17Å; L222-K247 PolarHBondContact N-O 3.22Å; L222-I248 HydrophobicContact CB-CG1 4.02Å; L222-I248 HydrophobicContact CD1-CG1 4.13Å; L222-I248 CarbonylContact O-C 3.49Å; L222-I248 VanDerWaalsContact O-CA 3.3Å; L222-I248 WeakPolarHBondContact O-CA 3.49Å; L222-V249 PolarHBondContact O-N 3.47Å
223	V	98.8	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.2	178.1	-169.1	0	0	0	0	109.5	I190 I191 V192 F193 I221 D225 V249 A260 L263	I190-V223 HydrophobicContact CG2-CG2 4.18Å; I191-V223 PolarHBondContact O-N 3.25Å; V192-V223 WeakPolarHBondContact CA-O 3.3Å; V192-V223 HydrophobicContact CG2-CB 4.19Å; F193-V223 WeakPolarHBondContact CD1-O 3.42Å; F193-V223 PolarHBondContact N-O 2.8Å; I221-V223 HydrophobicContact CG2-CG2 3.91Å; V223-D225 PolarHBondContact O-N 3.35Å; V223-V249 CarbonylContact C-O 3.55Å; V223-V249 WeakPolarHBondContact CA-O 3.45Å; V223-V249 HydrophobicContact CG2-CB 4.45Å; V223-A260 HydrophobicContact CB-CB 4.49Å; V223-A260 HydrophobicContact CG1-CB 3.85Å; V223-L263 HydrophobicContact CG1-CD2 4.08Å; V223-L263 HydrophobicContact CG1-CG 4.47Å
224	D	98.7	Very high	98.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	111.9	174.3	-178.7	16.8	0	0	0	110.3	F193 A226 S227 V249 R250 Q251	F193-D224 HydrophobicContact CE1-CB 3.88Å; F193-D224 HydrophobicContact CE2-CB 3.89Å; F193-D224 HydrophobicContact CZ-CB 3.43Å; F193-D224 VanDerWaalsContact CZ-CB 3.43Å; D224-A226 VanDerWaalsContact C-N 3.26Å; D224-A226 PolarHBondContact O-N 3.26Å; D224-A226 VanDerWaalsContact O-N 3.12Å; D224-S227 WeakPolarHBondContact OD1-CB 3.2Å; D224-S227 PolarHBondContact OD1-N 3.22Å; D224-S227 PolarHBondContact OD1-OG 2.76Å; D224-V249 PolarHBondContact N-O 3.47Å; D224-R250 VanDerWaalsContact CG-NH1 3.34Å; D224-R250 WeakPolarHBondContact OD2-CD 3.41Å; D224-R250 IonicContact OD2-CZ 3.34Å; D224-R250 IonicContact OD2-NE 3.77Å; D224-R250 IonicContact OD2-NH1 3.54Å; D224-R250 PolarHBondContact OD2-NH1 3.12Å; D224-Q251 VanDerWaalsContact O-CB 3.29Å; D224-Q251 WeakPolarHBondContact O-CB 3.09Å; D224-Q251 PolarHBondContact O-N 3.26Å
225	D	97.9	Very high	98.3	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.032	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	65.4	173.2	-178.4	30.1	0	0	0	111	V192 F193 H194 V223 S227 Q251 R254 K255 G256 A260	V192-D225 HydrophobicContact CG1-CB 4.46Å; F193-D225 PolarHBondContact O-N 2.87Å; H194-D225 HydrophobicContact CB-CB 4.34Å; H194-D225 PolarHBondContact ND1-O 3.15Å; V223-D225 PolarHBondContact O-N 3.35Å; D225-S227 PolarHBondContact O-N 3.4Å; D225-Q251 PolarHBondContact OD1-NE2 2.79Å; D225-R254 WeakPolarHBondContact OD1-CA 3.25Å; D225-K255 PolarHBondContact OD1-N 2.85Å; D225-G256 PolarHBondContact OD1-N 2.9Å; D225-G256 WeakPolarHBondContact OD2-CA 3.31Å; D225-G256 PolarHBondContact OD2-N 2.89Å; D225-A260 HydrophobicContact CB-CB 4.2Å
226	A	97.4	Very high	98.3	Very high	23 Å²	23	40.7 Å²	40.7	19%	0.19	20%	0.202	C	C	.	.	S	Bend	trans	52.9	53.9	177.8	0	0	0	0	0	113.8	H194 D224 Q251 R254	H194-A226 PolarHBondContact CE1-O 3.18Å; H194-A226 PolarHBondContact ND1-O 3.08Å; D224-A226 VanDerWaalsContact C-N 3.26Å; D224-A226 PolarHBondContact O-N 3.26Å; D224-A226 VanDerWaalsContact O-N 3.12Å; A226-Q251 WeakPolarHBondContact CA-O 3.19Å; A226-Q251 WeakPolarHBondContact CB-O 3.39Å; A226-Q251 PolarHBondContact N-O 3.49Å; A226-R254 HydrophobicContact CB-CB 4.12Å
227	S	98	Very high	98.3	Very high	8 Å²	8	43.2 Å²	43.2	6%	0.056	22%	0.216	C	C	.	.			trans	-60.9	153.1	168.9	-59.7	0	0	0	0	111.5	H194 N195 D224 D225 H233	H194-S227 WeakPolarHBondContact CA-OG 3.31Å; N195-S227 PolarHBondContact N-OG 3.04Å; N195-S227 WeakPolarHBondContact OD1-CA 3.26Å; D224-S227 WeakPolarHBondContact OD1-CB 3.2Å; D224-S227 PolarHBondContact OD1-N 3.22Å; D224-S227 PolarHBondContact OD1-OG 2.76Å; D225-S227 PolarHBondContact O-N 3.4Å; S227-H233 PolarHBondContact O-CE1 3.22Å; S227-H233 PolarHBondContact O-NE2 3.07Å
228	V	97.1	Very high	98.3	Very high	112 Å²	112	48.4 Å²	48.4	68%	0.679	24%	0.24	S	C	*	.			trans	-108.4	-26.5	-178.9	-179.5	0	0	0	0	111.3	N195 E230	N195-V228 PolarHBondContact OD1-N 2.66Å; V228-E230 PolarHBondContact O-N 3.39Å
229	D	97.2	Very high	98.2	Very high	29 Å²	29	45.8 Å²	45.8	16%	0.155	23%	0.227	C	C	.	.			trans	-64.1	118.6	-178.4	-74.2	-33	0	0	0	112.2	K147 Y231 L232 H233	K147-D229 VanDerWaalsContact CE-OD2 3.28Å; K147-D229 WeakPolarHBondContact CE-OD2 3.44Å; K147-D229 IonicContact NZ-OD1 3.67Å; K147-D229 PolarHBondContact NZ-OD1 3.48Å; K147-D229 IonicContact NZ-OD2 2.71Å; K147-D229 PolarHBondContact NZ-OD2 3.09Å; D229-Y231 HydrophobicContact CB-CD1 3.98Å; D229-Y231 HydrophobicContact CB-CE1 3.5Å; D229-Y231 HydrophobicContact CB-CE2 4.12Å; D229-Y231 HydrophobicContact CB-CG 4.46Å; D229-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact O-N 3.08Å; D229-Y231 VanDerWaalsContact OD2-CZ 3.32Å; D229-Y231 PolarHBondContact OD2-OH 3.46Å; D229-L232 HydrophobicContact CB-CD1 4.03Å; D229-L232 HydrophobicContact CB-CG 4.18Å; D229-L232 WeakPolarHBondContact O-CB 3.39Å; D229-L232 PolarHBondContact O-N 3.01Å; D229-H233 PolarHBondContact O-CD2 3.4Å
230	E	97.9	Very high	98.2	Very high	174 Å²	174	46 Å²	46	81%	0.813	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-52.8	-37.1	-176	-69.7	-175.3	172.6	0	0	113.8	V228 L232 H233	V228-E230 PolarHBondContact O-N 3.39Å; E230-L232 PolarHBondContact O-N 3.18Å; E230-L232 VanDerWaalsContact O-N 3.14Å; E230-H233 PolarHBondContact O-N 3.31Å
231	Y	98	Very high	98.1	Very high	58 Å²	58	52.3 Å²	52.3	23%	0.227	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-65.3	-16.5	179.5	62.2	-103.4	0	0	0	113.6	E196 W198 D229 L236	E196-Y231 PolarHBondContact O-OH 2.84Å; W198-Y231 HydrophobicContact CB-CD2 4.09Å; W198-Y231 HydrophobicContact CB-CE2 4.12Å; W198-Y231 HydrophobicContact CE3-CD2 4.02Å; W198-Y231 VanDerWaalsContact CZ3-O 3.3Å; W198-Y231 WeakPolarHBondContact CZ3-O 3.43Å; D229-Y231 HydrophobicContact CB-CD1 3.98Å; D229-Y231 HydrophobicContact CB-CE1 3.5Å; D229-Y231 HydrophobicContact CB-CE2 4.12Å; D229-Y231 HydrophobicContact CB-CG 4.46Å; D229-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact O-N 3.08Å; D229-Y231 VanDerWaalsContact OD2-CZ 3.32Å; D229-Y231 PolarHBondContact OD2-OH 3.46Å; Y231-L236 PolarHBondContact O-N 3.35Å
232	L	98.5	Very high	97.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-86.6	-6.2	176.1	-65.5	176.8	0	0	0	112.8	F193 L201 D229 E230 L236 R250	F193-L232 HydrophobicContact CD2-CD1 4.12Å; F193-L232 HydrophobicContact CD2-CD2 4.42Å; F193-L232 HydrophobicContact CE2-CB 4.15Å; F193-L232 HydrophobicContact CE2-CD1 4.04Å; F193-L232 HydrophobicContact CE2-CD2 4.09Å; F193-L232 HydrophobicContact CE2-CG 4.32Å; L201-L232 HydrophobicContact CD2-CD2 3.77Å; D229-L232 HydrophobicContact CB-CD1 4.03Å; D229-L232 HydrophobicContact CB-CG 4.18Å; D229-L232 WeakPolarHBondContact O-CB 3.39Å; D229-L232 PolarHBondContact O-N 3.01Å; E230-L232 PolarHBondContact O-N 3.18Å; E230-L232 VanDerWaalsContact O-N 3.14Å; L232-L236 HydrophobicContact CD2-CD2 4.37Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; L232-R250 PolarHBondContact O-NH1 3.35Å; L232-R250 PolarHBondContact O-NH2 3.45Å
233	H	98.2	Very high	97.8	Very high	65 Å²	65	59.1 Å²	59.1	30%	0.301	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-116.6	177.9	-61.8	-78.8	0	0	0	111	S227 D229 E230 K235 L236 D237 R250	S227-H233 PolarHBondContact O-CE1 3.22Å; S227-H233 PolarHBondContact O-NE2 3.07Å; D229-H233 PolarHBondContact O-CD2 3.4Å; E230-H233 PolarHBondContact O-N 3.31Å; H233-K235 VanDerWaalsContact C-N 3.25Å; H233-K235 PolarHBondContact O-N 3.25Å; H233-K235 VanDerWaalsContact O-N 3.16Å; H233-L236 WeakPolarHBondContact O-CB 3.4Å; H233-L236 PolarHBondContact O-N 3.15Å; H233-D237 PolarHBondContact O-N 2.83Å; H233-R250 PolarHBondContact O-NH2 2.95Å
234	D	98.2	Very high	97.6	Very high	124 Å²	124	64.8 Å²	64.8	66%	0.663	33%	0.327	S	S	*	.	H	α-helix	trans	-55.7	-38.2	-172.7	-60.2	-23.2	0	0	0	112.8	L236 D237 E238	D234-L236 VanDerWaalsContact C-N 3.32Å; D234-L236 PolarHBondContact O-N 2.94Å; D234-D237 PolarHBondContact O-N 2.93Å; D234-E238 WeakPolarHBondContact O-CG 3.43Å; D234-E238 PolarHBondContact O-N 3.01Å
235	K	98.5	Very high	97.6	Very high	122 Å²	122	66.3 Å²	66.3	53%	0.53	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-40.3	177.8	-175.2	-175.5	176	-176.7	0	112	W198 H233 Y239	W198-K235 HydrophobicContact CH2-CD 4.1Å; W198-K235 HydrophobicContact CH2-CG 3.8Å; W198-K235 HydrophobicContact CZ3-CB 4.5Å; W198-K235 HydrophobicContact CZ3-CD 4.07Å; W198-K235 HydrophobicContact CZ3-CG 3.96Å; H233-K235 VanDerWaalsContact C-N 3.25Å; H233-K235 PolarHBondContact O-N 3.25Å; H233-K235 VanDerWaalsContact O-N 3.16Å; K235-Y239 WeakPolarHBondContact O-CB 3.49Å; K235-Y239 PolarHBondContact O-N 2.85Å; K235-Y239 VanDerWaalsContact O-N 3.08Å
236	L	98.6	Very high	97.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-70.6	-43.3	176.4	-176.3	64.4	0	0	0	110.4	F193 W198 L201 L202 Y231 L232 H233 D234 E238 Y239 V240 I248	F193-L236 HydrophobicContact CE1-CD2 4.41Å; F193-L236 HydrophobicContact CE2-CD2 4.26Å; F193-L236 HydrophobicContact CZ-CD2 3.71Å; W198-L236 HydrophobicContact CZ3-CB 4.1Å; W198-L236 HydrophobicContact CZ3-CD1 4.05Å; L201-L236 HydrophobicContact CD2-CD1 4.19Å; L201-L236 HydrophobicContact CD2-CD2 3.93Å; L202-L236 HydrophobicContact CD2-CD1 4.01Å; Y231-L236 PolarHBondContact O-N 3.35Å; L232-L236 HydrophobicContact CD2-CD2 4.37Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; H233-L236 WeakPolarHBondContact O-CB 3.4Å; H233-L236 PolarHBondContact O-N 3.15Å; D234-L236 VanDerWaalsContact C-N 3.32Å; D234-L236 PolarHBondContact O-N 2.94Å; L236-E238 VanDerWaalsContact C-N 3.34Å; L236-E238 PolarHBondContact O-N 3.15Å; L236-Y239 PolarHBondContact O-N 2.91Å; L236-V240 HydrophobicContact CD1-CG1 4.03Å; L236-V240 HydrophobicContact CG-CG1 4.41Å; L236-V240 WeakPolarHBondContact O-CG1 3.34Å; L236-V240 WeakPolarHBondContact O-CG2 3.29Å; L236-V240 PolarHBondContact O-N 2.79Å; L236-I248 HydrophobicContact CB-CD1 4.44Å; L236-I248 HydrophobicContact CD2-CD1 4.02Å; L236-I248 HydrophobicContact CG-CD1 3.75Å
237	D	97.8	Very high	97.6	Very high	56 Å²	56	70.5 Å²	70.5	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-56.6	-46.8	177.1	-73.6	1.6	0	0	0	111.3	H233 D234 K241 I248 R250	H233-D237 PolarHBondContact O-N 2.83Å; D234-D237 PolarHBondContact O-N 2.93Å; D237-K241 WeakPolarHBondContact O-CG 3.39Å; D237-I248 WeakPolarHBondContact OD1-CD1 3.39Å; D237-R250 IonicContact OD1-CZ 3.95Å; D237-R250 IonicContact OD1-NE 2.75Å; D237-R250 IonicContact OD1-NH2 3.36Å; D237-R250 PolarHBondContact OD1-NH2 2.85Å
238	E	98.3	Very high	97.6	Very high	117 Å²	117	71.9 Å²	71.9	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-40.8	176.4	-67.3	-51.5	139.4	0	0	112.6	D234 L236 V240 K241	D234-E238 WeakPolarHBondContact O-CG 3.43Å; D234-E238 PolarHBondContact O-N 3.01Å; L236-E238 VanDerWaalsContact C-N 3.34Å; L236-E238 PolarHBondContact O-N 3.15Å; E238-V240 PolarHBondContact O-N 3.11Å; E238-K241 PolarHBondContact O-N 3.09Å; E238-K241 IonicContact OE1-NZ 2.7Å; E238-K241 PolarHBondContact OE1-NZ 2.89Å; E238-K241 WeakPolarHBondContact OE2-CD 3.11Å; E238-K241 IonicContact OE2-NZ 3.64Å; E238-K241 PolarHBondContact OE2-NZ 3.13Å
239	Y	98.4	Very high	97.7	Very high	59 Å²	59	67.9 Å²	67.9	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-42.2	-178.7	-175.4	-91.4	0	0	0	112.4	W198 L202 H206 K235 L236 K241 Q242 F243	W198-Y239 HydrophobicContact CH2-CD2 4.35Å; W198-Y239 HydrophobicContact CH2-CG 4.01Å; W198-Y239 AromaticContact CZ2-CD2 3.98Å; W198-Y239 HydrophobicContact CZ2-CD2 3.98Å; W198-Y239 HydrophobicContact CZ2-CE2 4.47Å; W198-Y239 HydrophobicContact CZ2-CG 4.01Å; L202-Y239 HydrophobicContact CD1-CD1 3.7Å; L202-Y239 HydrophobicContact CD1-CE1 3.4Å; L202-Y239 VanDerWaalsContact CD1-CE1 3.4Å; L202-Y239 HydrophobicContact CD1-CE2 4.27Å; L202-Y239 HydrophobicContact CD1-CG 4.26Å; L202-Y239 HydrophobicContact CD2-CD1 3.66Å; L202-Y239 HydrophobicContact CD2-CE1 3.61Å; L202-Y239 HydrophobicContact CG-CD1 4.36Å; L202-Y239 HydrophobicContact CG-CE1 4.1Å; H206-Y239 AromaticContact NE2-CZ 3.94Å; H206-Y239 PolarHBondContact NE2-OH 3.17Å; K235-Y239 WeakPolarHBondContact O-CB 3.49Å; K235-Y239 PolarHBondContact O-N 2.85Å; K235-Y239 VanDerWaalsContact O-N 3.08Å; L236-Y239 PolarHBondContact O-N 2.91Å; Y239-K241 VanDerWaalsContact C-N 3.32Å; Y239-K241 PolarHBondContact O-N 2.89Å; Y239-Q242 WeakPolarHBondContact O-CG 3.44Å; Y239-Q242 PolarHBondContact O-NE2 3.39Å; Y239-F243 HydrophobicContact CD1-CE2 4.24Å; Y239-F243 AromaticContact CE1-CE2 3.82Å; Y239-F243 HydrophobicContact CE1-CE2 3.82Å; Y239-F243 HydrophobicContact CE1-CZ 4.26Å
240	V	97.8	Very high	97.7	Very high	7 Å²	7	70 Å²	70	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-76.3	-17.7	-174.9	-59.5	0	0	0	0	113.7	L222 L236 E238 Q242 F243 V246 I248	L222-V240 HydrophobicContact CD1-CG1 4.14Å; L236-V240 HydrophobicContact CD1-CG1 4.03Å; L236-V240 HydrophobicContact CG-CG1 4.41Å; L236-V240 WeakPolarHBondContact O-CG1 3.34Å; L236-V240 WeakPolarHBondContact O-CG2 3.29Å; L236-V240 PolarHBondContact O-N 2.79Å; E238-V240 PolarHBondContact O-N 3.11Å; V240-Q242 PolarHBondContact O-N 2.98Å; V240-Q242 VanDerWaalsContact O-N 3.08Å; V240-F243 PolarHBondContact O-N 2.73Å; V240-V246 HydrophobicContact CB-CB 4.27Å; V240-V246 HydrophobicContact CB-CG1 3.82Å; V240-V246 HydrophobicContact CG1-CG1 3.98Å; V240-V246 HydrophobicContact CG2-CG1 4.43Å; V240-I248 HydrophobicContact CB-CD1 4.49Å; V240-I248 HydrophobicContact CG1-CD1 4.25Å; V240-I248 HydrophobicContact CG2-CD1 3.48Å; V240-I248 VanDerWaalsContact CG2-CD1 3.48Å; V240-I248 HydrophobicContact CG2-CG1 4.03Å
241	K	96.4	Very high	97.6	Very high	134 Å²	134	62.6 Å²	62.6	58%	0.583	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.6	179.2	-80.5	173.3	-169.7	176.7	0	114	D237 E238 Y239 F243	D237-K241 WeakPolarHBondContact O-CG 3.39Å; E238-K241 PolarHBondContact O-N 3.09Å; E238-K241 IonicContact OE1-NZ 2.7Å; E238-K241 PolarHBondContact OE1-NZ 2.89Å; E238-K241 WeakPolarHBondContact OE2-CD 3.11Å; E238-K241 IonicContact OE2-NZ 3.64Å; E238-K241 PolarHBondContact OE2-NZ 3.13Å; Y239-K241 VanDerWaalsContact C-N 3.32Å; Y239-K241 PolarHBondContact O-N 2.89Å; K241-F243 PolarHBondContact O-N 3.02Å
242	Q	96.3	Very high	97.4	Very high	124 Å²	124	71.4 Å²	71.4	58%	0.579	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.4	176.1	75	-170.8	-69.5	0	0	112.7	Y239 V240	Y239-Q242 WeakPolarHBondContact O-CG 3.44Å; Y239-Q242 PolarHBondContact O-NE2 3.39Å; V240-Q242 PolarHBondContact O-N 2.98Å; V240-Q242 VanDerWaalsContact O-N 3.08Å
243	F	96.3	Very high	97.3	Very high	20 Å²	20	77.7 Å²	77.7	9%	0.088	37%	0.365	C	S	.	.	S	Bend	trans	-103	103.4	176.8	-46.1	-63.1	0	0	0	109.3	L111 H206 L209 Y239 V240 K241 I245 V246	L111-F243 HydrophobicContact CD1-CD1 4.06Å; L111-F243 HydrophobicContact CD1-CE1 3.9Å; H206-F243 AromaticContact CE1-CZ 3.46Å; H206-F243 VanDerWaalsContact CE1-CZ 3.46Å; H206-F243 WeakPolarHBondContact CE1-CZ 3.2Å; H206-F243 AromaticContact NE2-CZ 3.75Å; L209-F243 HydrophobicContact CD1-CD1 3.75Å; L209-F243 HydrophobicContact CD1-CD2 4.37Å; L209-F243 HydrophobicContact CD1-CE1 4.01Å; L209-F243 HydrophobicContact CD1-CG 3.95Å; L209-F243 HydrophobicContact CD1-CZ 4.45Å; Y239-F243 HydrophobicContact CD1-CE2 4.24Å; Y239-F243 AromaticContact CE1-CE2 3.82Å; Y239-F243 HydrophobicContact CE1-CE2 3.82Å; Y239-F243 HydrophobicContact CE1-CZ 4.26Å; V240-F243 PolarHBondContact O-N 2.73Å; K241-F243 PolarHBondContact O-N 3.02Å; F243-I245 PolarHBondContact O-N 3.41Å; F243-V246 HydrophobicContact CB-CB 3.98Å; F243-V246 HydrophobicContact CB-CG2 3.41Å; F243-V246 VanDerWaalsContact CB-CG2 3.41Å; F243-V246 HydrophobicContact CD2-CG2 4.12Å; F243-V246 HydrophobicContact CG-CG2 4.07Å; F243-V246 PolarHBondContact O-N 3.42Å
244	S	94.5	Very high	97	Very high	118 Å²	118	77.1 Å²	77.1	83%	0.825	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.7	-174.5	55.8	0	0	0	0	115.3
245	I	97.6	Very high	96.8	Very high	37 Å²	37	75.9 Å²	75.9	19%	0.19	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	0.7	-177.5	66.6	171.4	0	0	0	113.7	V110 L209 L217 E219 I220 F243	V110-I245 HydrophobicContact CG1-CD1 3.98Å; V110-I245 HydrophobicContact CG2-CD1 4.08Å; L209-I245 HydrophobicContact CD2-CD1 3.96Å; L209-I245 HydrophobicContact CD2-CG1 4.27Å; L217-I245 HydrophobicContact CD2-CD1 3.95Å; L217-I245 HydrophobicContact CG-CD1 3.99Å; E219-I245 CarbonylContact C-O 3.55Å; E219-I245 VanDerWaalsContact CA-O 3.28Å; E219-I245 WeakPolarHBondContact CA-O 3.3Å; I220-I245 PolarHBondContact N-O 3.01Å; F243-I245 PolarHBondContact O-N 3.41Å
246	V	98.5	Very high	96.5	Very high	12 Å²	12	70.1 Å²	70.1	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.6	178.4	-176.1	0	0	0	0	109.5	V205 I220 L222 V240 F243	V205-V246 HydrophobicContact CG1-CG2 4.23Å; I220-V246 HydrophobicContact CB-CG2 4.13Å; I220-V246 HydrophobicContact CD1-CG2 4.16Å; I220-V246 HydrophobicContact CG1-CG2 4.5Å; I220-V246 CarbonylContact O-C 3.56Å; I220-V246 WeakPolarHBondContact O-CA 3.27Å; L222-V246 HydrophobicContact CD1-CG1 4.01Å; L222-V246 HydrophobicContact CG-CG1 4.17Å; V240-V246 HydrophobicContact CB-CB 4.27Å; V240-V246 HydrophobicContact CB-CG1 3.82Å; V240-V246 HydrophobicContact CG1-CG1 3.98Å; V240-V246 HydrophobicContact CG2-CG1 4.43Å; F243-V246 HydrophobicContact CB-CB 3.98Å; F243-V246 HydrophobicContact CB-CG2 3.41Å; F243-V246 VanDerWaalsContact CB-CG2 3.41Å; F243-V246 HydrophobicContact CD2-CG2 4.12Å; F243-V246 HydrophobicContact CG-CG2 4.07Å; F243-V246 PolarHBondContact O-N 3.42Å
247	K	97.4	Very high	96.3	Very high	104 Å²	104	71.4 Å²	71.4	45%	0.452	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.1	179.6	-61.4	174.4	-173.8	163.9	0	109.8	E219 I220 L222	E219-K247 IonicContact OE2-NZ 3.09Å; E219-K247 PolarHBondContact OE2-NZ 3.04Å; I220-K247 PolarHBondContact O-N 2.97Å; L222-K247 PolarHBondContact N-O 3.22Å
248	I	98.5	Very high	96.1	Very high	37 Å²	37	68.8 Å²	68.8	19%	0.19	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.4	173.8	-60.3	161.9	0	0	0	109.3	L222 L236 D237 V240 R250	L222-I248 HydrophobicContact CB-CG1 4.02Å; L222-I248 HydrophobicContact CD1-CG1 4.13Å; L222-I248 CarbonylContact O-C 3.49Å; L222-I248 VanDerWaalsContact O-CA 3.3Å; L222-I248 WeakPolarHBondContact O-CA 3.49Å; L236-I248 HydrophobicContact CB-CD1 4.44Å; L236-I248 HydrophobicContact CD2-CD1 4.02Å; L236-I248 HydrophobicContact CG-CD1 3.75Å; D237-I248 WeakPolarHBondContact OD1-CD1 3.39Å; V240-I248 HydrophobicContact CB-CD1 4.49Å; V240-I248 HydrophobicContact CG1-CD1 4.25Å; V240-I248 HydrophobicContact CG2-CD1 3.48Å; V240-I248 VanDerWaalsContact CG2-CD1 3.48Å; V240-I248 HydrophobicContact CG2-CG1 4.03Å; I248-R250 HydrophobicContact CG2-CG 4.35Å; I248-R250 VanDerWaalsContact CG2-NE 3.28Å
249	V	98.4	Very high	96	Very high	29 Å²	29	65 Å²	65	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.4	174.1	-175.2	0	0	0	0	107.9	I221 L222 V223 D224 L263 V267	I221-V249 HydrophobicContact CG2-CG2 3.82Å; L222-V249 PolarHBondContact O-N 3.47Å; V223-V249 CarbonylContact C-O 3.55Å; V223-V249 WeakPolarHBondContact CA-O 3.45Å; V223-V249 HydrophobicContact CG2-CB 4.45Å; D224-V249 PolarHBondContact N-O 3.47Å; V249-L263 HydrophobicContact CG1-CD1 4.09Å; V249-L263 HydrophobicContact CG1-CD2 3.67Å; V249-L263 HydrophobicContact CG1-CG 3.68Å; V249-V267 HydrophobicContact CG2-CG2 3.91Å
250	R	98.3	Very high	95.9	Very high	72 Å²	72	62.2 Å²	62.2	27%	0.272	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.5	-174.8	-57.4	-64.5	-172.5	169.3	-7.5	110.7	D224 L232 H233 D237 I248	D224-R250 VanDerWaalsContact CG-NH1 3.34Å; D224-R250 WeakPolarHBondContact OD2-CD 3.41Å; D224-R250 IonicContact OD2-CZ 3.34Å; D224-R250 IonicContact OD2-NE 3.77Å; D224-R250 IonicContact OD2-NH1 3.54Å; D224-R250 PolarHBondContact OD2-NH1 3.12Å; L232-R250 PolarHBondContact O-NH1 3.35Å; L232-R250 PolarHBondContact O-NH2 3.45Å; H233-R250 PolarHBondContact O-NH2 2.95Å; D237-R250 IonicContact OD1-CZ 3.95Å; D237-R250 IonicContact OD1-NE 2.75Å; D237-R250 IonicContact OD1-NH2 3.36Å; D237-R250 PolarHBondContact OD1-NH2 2.85Å; I248-R250 HydrophobicContact CG2-CG 4.35Å; I248-R250 VanDerWaalsContact CG2-NE 3.28Å
251	Q	95.9	Very high	96	Very high	19 Å²	19	62 Å²	62	9%	0.089	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.4	165.7	-163.6	166.3	-113.3	0	0	108.8	D224 D225 A226 E253 L263	D224-Q251 VanDerWaalsContact O-CB 3.29Å; D224-Q251 WeakPolarHBondContact O-CB 3.09Å; D224-Q251 PolarHBondContact O-N 3.26Å; D225-Q251 PolarHBondContact OD1-NE2 2.79Å; A226-Q251 WeakPolarHBondContact CA-O 3.19Å; A226-Q251 WeakPolarHBondContact CB-O 3.39Å; A226-Q251 PolarHBondContact N-O 3.49Å; Q251-E253 VanDerWaalsContact C-N 3.3Å; Q251-E253 WeakPolarHBondContact CG-O 3.28Å; Q251-E253 PolarHBondContact O-N 2.82Å; Q251-L263 HydrophobicContact CB-CD2 4.14Å; Q251-L263 HydrophobicContact CG-CD2 4.46Å
252	R	94.1	Very high	96	Very high	244 Å²	244	56.8 Å²	56.8	92%	0.921	27%	0.268	S	S	*	.	S	Bend	trans	-70.4	-26.5	-172.3	-65.2	-176.3	-179.8	-177.9	-0.8	113.9
253	E	94.5	Very high	96.1	Very high	131 Å²	131	53.4 Å²	53.4	61%	0.612	25%	0.253	S	S	*	.	S	Bend	trans	-125.2	145.8	-178.7	-67.1	177.4	169.7	0	0	109.1	Q251 K255	Q251-E253 VanDerWaalsContact C-N 3.3Å; Q251-E253 WeakPolarHBondContact CG-O 3.28Å; Q251-E253 PolarHBondContact O-N 2.82Å; E253-K255 PolarHBondContact O-N 2.85Å; E253-K255 VanDerWaalsContact O-N 3.07Å
254	R	93.6	Very high	96.2	Very high	54 Å²	54	52.5 Å²	52.5	20%	0.204	25%	0.249	C	C	.	.			trans	-71.2	106.6	179.2	-171.4	172.4	-176.5	-93.8	-2.1	110.5	H194 D225 A226 S424	H194-R254 PolarHBondContact CE1-NE 2.78Å; H194-R254 PolarHBondContact NE2-NE 2.75Å; D225-R254 WeakPolarHBondContact OD1-CA 3.25Å; A226-R254 HydrophobicContact CB-CB 4.12Å; R254-S424 PolarHBondContact NH1-O 3.01Å; R254-S424 PolarHBondContact NH2-O 3.26Å
255	K	92.8	Very high	96.4	Very high	98 Å²	98	47.2 Å²	47.2	43%	0.426	21%	0.213	S	C	.	.			trans	-117.4	-4.3	-179.1	-60.2	-177.5	177.9	-174.3	0	113.5	D225 E253 T259	D225-K255 PolarHBondContact OD1-N 2.85Å; E253-K255 PolarHBondContact O-N 2.85Å; E253-K255 VanDerWaalsContact O-N 3.07Å; K255-T259 HydrophobicContact CB-CG2 3.96Å; K255-T259 HydrophobicContact CD-CG2 3.91Å; K255-T259 PolarHBondContact O-OG1 3.03Å
256	G	92.9	Very high	96.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.01	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	94.6	173.8	175.7	0	0	0	0	0	115	D225 I258 T259 A260 I386	D225-G256 PolarHBondContact OD1-N 2.9Å; D225-G256 WeakPolarHBondContact OD2-CA 3.31Å; D225-G256 PolarHBondContact OD2-N 2.89Å; G256-I258 VanDerWaalsContact C-N 3.28Å; G256-I258 PolarHBondContact O-N 3.35Å; G256-T259 PolarHBondContact O-N 3.35Å; G256-A260 WeakPolarHBondContact O-CB 3.47Å; G256-A260 PolarHBondContact O-N 3.49Å; G256-A260 VanDerWaalsContact O-N 3.09Å; G256-I386 CarbonylContact C-O 3.55Å; G256-I386 WeakPolarHBondContact CA-O 3.43Å
257	L	93.3	Very high	96.4	Very high	26 Å²	26	53 Å²	53	14%	0.136	25%	0.25	C	C	.	.	H	α-helix	trans	-53.1	-44.9	-177.9	179.7	64.4	0	0	0	112	V192 A260 R261 I386	V192-L257 HydrophobicContact CB-CD1 3.85Å; V192-L257 HydrophobicContact CG1-CD1 3.96Å; V192-L257 HydrophobicContact CG2-CD1 4.2Å; L257-A260 PolarHBondContact O-N 2.96Å; L257-R261 HydrophobicContact CD1-CG 4.12Å; L257-R261 HydrophobicContact CG-CG 4.43Å; L257-R261 WeakPolarHBondContact O-CB 3.31Å; L257-R261 WeakPolarHBondContact O-CG 3.36Å; L257-R261 PolarHBondContact O-N 2.89Å; L257-I386 PolarHBondContact N-O 3.08Å
258	I	94.3	Very high	96.5	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-54	-171.8	-59.1	169.7	0	0	0	110.3	G256 A260 R261 L262 Y380 M384 E390	G256-I258 VanDerWaalsContact C-N 3.28Å; G256-I258 PolarHBondContact O-N 3.35Å; I258-A260 VanDerWaalsContact C-N 3.3Å; I258-A260 PolarHBondContact O-N 3.15Å; I258-R261 PolarHBondContact O-N 2.86Å; I258-L262 HydrophobicContact CG2-CD1 4.4Å; I258-L262 WeakPolarHBondContact O-CG 3.48Å; I258-L262 PolarHBondContact O-N 3.3Å; I258-Y380 HydrophobicContact CG2-CD2 4.38Å; I258-Y380 HydrophobicContact CG2-CG 3.99Å; I258-M384 HydrophobicContact CD1-CB 3.22Å; I258-M384 HydrophobicContact CD1-CG 4.23Å; I258-M384 HydrophobicContact CD1-SD 4.05Å; I258-E390 HydrophobicContact CD1-CB 3.66Å; I258-E390 HydrophobicContact CD1-CG 4.2Å; I258-E390 HydrophobicContact CG1-CB 3.92Å; I258-E390 HydrophobicContact CG1-CG 3.98Å
259	T	96	Very high	96.5	Very high	37 Å²	37	50.6 Å²	50.6	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-40.7	178.3	-46.6	0	0	0	0	111.4	K255 G256 L262 L263	K255-T259 HydrophobicContact CB-CG2 3.96Å; K255-T259 HydrophobicContact CD-CG2 3.91Å; K255-T259 PolarHBondContact O-OG1 3.03Å; G256-T259 PolarHBondContact O-N 3.35Å; T259-L262 PolarHBondContact O-N 2.89Å; T259-L263 WeakPolarHBondContact O-CB 3.48Å; T259-L263 PolarHBondContact O-N 2.95Å
260	A	97.7	Very high	96.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-39.7	177.7	0	0	0	0	0	112.5	V192 V223 D225 G256 L257 I258 L263 G264	V192-A260 HydrophobicContact CB-CB 4.32Å; V192-A260 HydrophobicContact CG1-CB 3.48Å; V192-A260 VanDerWaalsContact CG1-CB 3.48Å; V192-A260 HydrophobicContact CG2-CB 3.82Å; V223-A260 HydrophobicContact CB-CB 4.49Å; V223-A260 HydrophobicContact CG1-CB 3.85Å; D225-A260 HydrophobicContact CB-CB 4.2Å; G256-A260 WeakPolarHBondContact O-CB 3.47Å; G256-A260 PolarHBondContact O-N 3.49Å; G256-A260 VanDerWaalsContact O-N 3.09Å; L257-A260 PolarHBondContact O-N 2.96Å; I258-A260 VanDerWaalsContact C-N 3.3Å; I258-A260 PolarHBondContact O-N 3.15Å; A260-L263 WeakPolarHBondContact O-CB 3.38Å; A260-L263 PolarHBondContact O-N 3.27Å; A260-G264 PolarHBondContact O-N 3.3Å
261	R	98.1	Very high	96.5	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-41.9	173.9	-77.7	-174.2	177.3	-177	-3	112.2	V192 L257 I258 L263 G264 A265 F275 D277 G364 G365 Y380	V192-R261 HydrophobicContact CG2-CB 4.44Å; V192-R261 HydrophobicContact CG2-CG 3.6Å; L257-R261 HydrophobicContact CD1-CG 4.12Å; L257-R261 HydrophobicContact CG-CG 4.43Å; L257-R261 WeakPolarHBondContact O-CB 3.31Å; L257-R261 WeakPolarHBondContact O-CG 3.36Å; L257-R261 PolarHBondContact O-N 2.89Å; I258-R261 PolarHBondContact O-N 2.86Å; R261-L263 VanDerWaalsContact C-N 3.33Å; R261-G264 PolarHBondContact O-N 3.45Å; R261-A265 WeakPolarHBondContact O-CB 3.49Å; R261-A265 PolarHBondContact O-N 2.85Å; R261-F275 HydrophobicContact CB-CD1 4.23Å; R261-F275 HydrophobicContact CB-CE1 3.79Å; R261-F275 HydrophobicContact CG-CD1 3.8Å; R261-F275 HydrophobicContact CG-CE1 3.9Å; R261-D277 IonicContact NH2-OD1 3.91Å; R261-D277 PolarHBondContact NH2-OD1 3.49Å; R261-G364 PolarHBondContact NH1-O 2.99Å; R261-G364 PolarHBondContact NH2-O 2.61Å; R261-G365 VanDerWaalsContact NH2-CA 3.34Å; R261-G365 PolarHBondContact NH2-O 2.81Å; R261-Y380 HydrophobicContact CB-CE2 4.29Å; R261-Y380 PolarHBondContact NH1-OH 3.06Å; R261-Y380 VanDerWaalsContact NH1-OH 3.1Å
262	L	97.8	Very high	96.6	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.131	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-40.4	175.3	-69.2	174.9	0	0	0	111.8	I258 T259 A265 T266 F374 Y380 E382	I258-L262 HydrophobicContact CG2-CD1 4.4Å; I258-L262 WeakPolarHBondContact O-CG 3.48Å; I258-L262 PolarHBondContact O-N 3.3Å; T259-L262 PolarHBondContact O-N 2.89Å; L262-A265 PolarHBondContact O-N 3.15Å; L262-T266 WeakPolarHBondContact O-CB 3.42Å; L262-T266 PolarHBondContact O-N 3.27Å; L262-T266 PolarHBondContact O-OG1 2.89Å; L262-F374 HydrophobicContact CD2-CE1 4.13Å; L262-F374 HydrophobicContact CD2-CZ 4.02Å; L262-Y380 HydrophobicContact CD2-CD2 4.26Å; L262-Y380 HydrophobicContact CG-CD2 4.48Å; L262-E382 HydrophobicContact CD1-CG 3.74Å
263	L	98.3	Very high	96.8	Very high	53 Å²	53	37.1 Å²	37.1	28%	0.277	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-45.7	174.2	179	58.8	0	0	0	111.6	V223 V249 Q251 T259 A260 R261 T266 V267	V223-L263 HydrophobicContact CG1-CD2 4.08Å; V223-L263 HydrophobicContact CG1-CG 4.47Å; V249-L263 HydrophobicContact CG1-CD1 4.09Å; V249-L263 HydrophobicContact CG1-CD2 3.67Å; V249-L263 HydrophobicContact CG1-CG 3.68Å; Q251-L263 HydrophobicContact CB-CD2 4.14Å; Q251-L263 HydrophobicContact CG-CD2 4.46Å; T259-L263 WeakPolarHBondContact O-CB 3.48Å; T259-L263 PolarHBondContact O-N 2.95Å; A260-L263 WeakPolarHBondContact O-CB 3.38Å; A260-L263 PolarHBondContact O-N 3.27Å; R261-L263 VanDerWaalsContact C-N 3.33Å; L263-T266 PolarHBondContact O-N 3.01Å; L263-V267 PolarHBondContact O-N 3.3Å
264	G	98.4	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-45.1	173.6	0	0	0	0	0	112.8	A260 R261 T266 V267 A268	A260-G264 PolarHBondContact O-N 3.3Å; R261-G264 PolarHBondContact O-N 3.45Å; G264-T266 VanDerWaalsContact C-N 3.31Å; G264-T266 PolarHBondContact O-N 3.33Å; G264-V267 WeakPolarHBondContact O-CG2 3.46Å; G264-V267 PolarHBondContact O-N 2.9Å; G264-A268 WeakPolarHBondContact O-CB 3.29Å; G264-A268 PolarHBondContact O-N 3.42Å; G264-A268 VanDerWaalsContact O-N 3.08Å
265	A	98.3	Very high	97.3	Very high	7 Å²	7	28.3 Å²	28.3	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-35	179.1	0	0	0	0	0	112.7	I190 R261 L262 V267 A268 L273 F275 F374	I190-A265 HydrophobicContact CD1-CB 4.26Å; R261-A265 WeakPolarHBondContact O-CB 3.49Å; R261-A265 PolarHBondContact O-N 2.85Å; L262-A265 PolarHBondContact O-N 3.15Å; A265-V267 PolarHBondContact O-N 3.43Å; A265-A268 PolarHBondContact O-N 3.04Å; A265-L273 HydrophobicContact CB-CD1 3.7Å; A265-F275 HydrophobicContact CB-CZ 4.47Å; A265-F374 HydrophobicContact CB-CD1 4.38Å; A265-F374 HydrophobicContact CB-CE1 3.84Å
266	T	97.8	Very high	97.6	Very high	108 Å²	108	23.8 Å²	23.8	66%	0.663	14%	0.137	S	C	*	.	H	α-helix	trans	-63.8	-39.9	178.7	-59.4	0	0	0	0	111.8	L262 L263 G264	L262-T266 WeakPolarHBondContact O-CB 3.42Å; L262-T266 PolarHBondContact O-N 3.27Å; L262-T266 PolarHBondContact O-OG1 2.89Å; L263-T266 PolarHBondContact O-N 3.01Å; G264-T266 VanDerWaalsContact C-N 3.31Å; G264-T266 PolarHBondContact O-N 3.33Å
267	V	98.3	Very high	97.9	Very high	63 Å²	63	25 Å²	25	38%	0.382	14%	0.144	S	C	.	.	H	α-helix	trans	-88.9	-12.1	-179.6	-55.7	0	0	0	0	113.6	I221 V249 L263 G264 A265	I221-V267 HydrophobicContact CD1-CG2 4.09Å; I221-V267 HydrophobicContact CG2-CG2 4Å; V249-V267 HydrophobicContact CG2-CG2 3.91Å; L263-V267 PolarHBondContact O-N 3.3Å; G264-V267 WeakPolarHBondContact O-CG2 3.46Å; G264-V267 PolarHBondContact O-N 2.9Å; A265-V267 PolarHBondContact O-N 3.43Å
268	A	98.6	Very high	98.1	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.017	14%	0.138	C	C	.	.			trans	-64.4	139.5	178.1	0	0	0	0	0	111.9	I190 I221 G264 A265 L273 K371	I190-A268 HydrophobicContact CD1-CB 4.37Å; I221-A268 HydrophobicContact CD1-CB 3.75Å; G264-A268 WeakPolarHBondContact O-CB 3.29Å; G264-A268 PolarHBondContact O-N 3.42Å; G264-A268 VanDerWaalsContact O-N 3.08Å; A265-A268 PolarHBondContact O-N 3.04Å; A268-L273 HydrophobicContact CB-CD2 3.48Å; A268-L273 VanDerWaalsContact CB-CD2 3.48Å; A268-K371 PolarHBondContact O-NZ 2.76Å
269	T	98.4	Very high	98.3	Very high	89 Å²	89	24.9 Å²	24.9	55%	0.546	14%	0.142	S	C	.	.			trans	-117.9	-7.1	-174.8	61	0	0	0	0	114.1	S188 E219	S188-T269 PolarHBondContact OG-N 2.79Å; E219-T269 PolarHBondContact OE1-N 2.89Å; E219-T269 PolarHBondContact OE1-OG1 2.77Å
270	A	98.4	Very high	98.4	Very high	5 Å²	5	23.1 Å²	23.1	4%	0.041	13%	0.132	C	C	.	.	S	Bend	trans	-78.6	170.2	178.3	0	0	0	0	0	113	T186 S188 K218	T186-A270 WeakPolarHBondContact O-CB 3.34Å; S188-A270 WeakPolarHBondContact OG-CB 3.49Å; S188-A270 PolarHBondContact OG-N 3.42Å; S188-A270 VanDerWaalsContact OG-N 3.15Å; K218-A270 HydrophobicContact CB-CB 3.79Å; K218-A270 HydrophobicContact CG-CB 4.13Å
271	E	98.5	Very high	98.5	Very high	73 Å²	73	23.5 Å²	23.5	34%	0.341	13%	0.133	S	C	.	.	S	Bend	trans	-72.3	-32.5	180	-66.6	158	-87.9	0	0	112.2	R95 P185 T186 K371	R95-E271 IonicContact CZ-OE1 3.24Å; R95-E271 IonicContact CZ-OE2 3.17Å; R95-E271 IonicContact NH1-OE1 3.83Å; R95-E271 PolarHBondContact NH1-OE1 2.9Å; R95-E271 IonicContact NH1-OE2 3.55Å; R95-E271 PolarHBondContact NH1-OE2 3.44Å; R95-E271 IonicContact NH2-OE1 3.78Å; R95-E271 PolarHBondContact NH2-OE1 3.3Å; P185-E271 HydrophobicContact CB-CB 3.85Å; T186-E271 PolarHBondContact N-OE1 3.42Å; T186-E271 PolarHBondContact O-N 3.24Å; T186-E271 PolarHBondContact OG1-OE1 3.49Å; E271-K371 WeakPolarHBondContact O-CB 3.18Å; E271-K371 PolarHBondContact O-N 3.36Å
272	T	98.9	Very high	98.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.2	175.4	60.1	0	0	0	0	111.9	P185 T186 T187 S188 L291 I294 I369	P185-T272 HydrophobicContact CB-CG2 3.83Å; P185-T272 HydrophobicContact CG-CG2 3.63Å; T186-T272 PolarHBondContact O-N 2.84Å; T186-T272 PolarHBondContact O-OG1 2.92Å; T186-T272 VanDerWaalsContact O-OG1 3.05Å; T187-T272 WeakPolarHBondContact CA-O 3.19Å; T187-T272 WeakPolarHBondContact CA-OG1 3.3Å; T187-T272 WeakPolarHBondContact CB-OG1 3.31Å; T187-T272 PolarHBondContact OG1-O 3.39Å; T187-T272 PolarHBondContact OG1-OG1 2.92Å; S188-T272 PolarHBondContact N-O 3.21Å; T272-L291 HydrophobicContact CG2-CD2 4.22Å; T272-L291 VanDerWaalsContact OG1-CD2 3.27Å; T272-L291 WeakPolarHBondContact OG1-CD2 3.17Å; T272-I294 HydrophobicContact CG2-CB 4.49Å; T272-I294 HydrophobicContact CG2-CD1 4.05Å; T272-I294 HydrophobicContact CG2-CG2 3.87Å; T272-I369 CarbonylContact C-O 3.53Å; T272-I369 VanDerWaalsContact CA-O 3.29Å; T272-I369 WeakPolarHBondContact CA-O 3.38Å; T272-I369 WeakPolarHBondContact CB-O 3.49Å
273	L	98.9	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130	170.3	-53	179.9	0	0	0	108.1	I190 A265 A268 F275 S368 I369 K371 F374	I190-L273 HydrophobicContact CD1-CB 4.39Å; I190-L273 HydrophobicContact CD1-CD2 4.03Å; A265-L273 HydrophobicContact CB-CD1 3.7Å; A268-L273 HydrophobicContact CB-CD2 3.48Å; A268-L273 VanDerWaalsContact CB-CD2 3.48Å; L273-F275 HydrophobicContact CB-CD2 4.46Å; L273-F275 HydrophobicContact CB-CE2 3.76Å; L273-F275 HydrophobicContact CB-CZ 4.11Å; L273-F275 HydrophobicContact CD1-CE2 4.19Å; L273-F275 HydrophobicContact CD1-CZ 3.99Å; L273-S368 CarbonylContact O-C 3.56Å; L273-S368 WeakPolarHBondContact O-CA 3.41Å; L273-I369 HydrophobicContact CB-CG2 4.14Å; L273-I369 PolarHBondContact N-O 3.33Å; L273-I369 PolarHBondContact O-N 2.88Å; L273-K371 HydrophobicContact CD1-CG 4.28Å; L273-K371 HydrophobicContact CD2-CB 4.19Å; L273-K371 HydrophobicContact CD2-CD 4.28Å; L273-K371 HydrophobicContact CD2-CG 4.08Å; L273-K371 HydrophobicContact CG-CB 4.02Å; L273-K371 HydrophobicContact CG-CG 4.17Å; L273-F374 HydrophobicContact CD1-CB 4.25Å; L273-F374 HydrophobicContact CD1-CD1 3.66Å; L273-F374 HydrophobicContact CD1-CE1 4.18Å; L273-F374 HydrophobicContact CD1-CG 4.01Å
274	T	98.9	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	108.6	172.6	-60.6	0	0	0	0	108.9	T187 S188 V189 I190 W286 F367 S368	T187-T274 PolarHBondContact OG1-OG1 3.4Å; S188-T274 PolarHBondContact O-N 2.81Å; V189-T274 CarbonylContact C-O 3.47Å; V189-T274 VanDerWaalsContact CA-O 3.25Å; V189-T274 WeakPolarHBondContact CA-O 3.43Å; V189-T274 HydrophobicContact CG2-CG2 4.48Å; I190-T274 PolarHBondContact N-O 3.36Å; T274-W286 HydrophobicContact CG2-CH2 3.69Å; T274-W286 HydrophobicContact CG2-CZ3 3.84Å; T274-F367 CarbonylContact C-O 3.47Å; T274-F367 WeakPolarHBondContact CA-O 3.41Å; T274-S368 WeakPolarHBondContact CB-OG 3.43Å; T274-S368 WeakPolarHBondContact CG2-OG 3.45Å; T274-S368 PolarHBondContact OG1-OG 2.7Å
275	F	98.9	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.9	177.9	-62	-84.7	0	0	0	110	I190 R261 A265 L273 L366 F367 I369 F374	I190-F275 HydrophobicContact CB-CD1 3.82Å; I190-F275 HydrophobicContact CB-CE1 3.96Å; I190-F275 HydrophobicContact CD1-CD1 4.28Å; I190-F275 HydrophobicContact CD1-CE1 3.61Å; I190-F275 HydrophobicContact CD1-CZ 3.94Å; I190-F275 HydrophobicContact CG1-CE1 4.4Å; I190-F275 HydrophobicContact CG2-CD1 3.97Å; I190-F275 HydrophobicContact CG2-CE1 3.98Å; I190-F275 WeakPolarHBondContact O-CA 3.27Å; R261-F275 HydrophobicContact CB-CD1 4.23Å; R261-F275 HydrophobicContact CB-CE1 3.79Å; R261-F275 HydrophobicContact CG-CD1 3.8Å; R261-F275 HydrophobicContact CG-CE1 3.9Å; A265-F275 HydrophobicContact CB-CZ 4.47Å; L273-F275 HydrophobicContact CB-CD2 4.46Å; L273-F275 HydrophobicContact CB-CE2 3.76Å; L273-F275 HydrophobicContact CB-CZ 4.11Å; L273-F275 HydrophobicContact CD1-CE2 4.19Å; L273-F275 HydrophobicContact CD1-CZ 3.99Å; F275-L366 VanDerWaalsContact O-CA 3.31Å; F275-L366 WeakPolarHBondContact O-CA 3.27Å; F275-F367 HydrophobicContact CB-CD1 4.07Å; F275-F367 HydrophobicContact CB-CE1 3.88Å; F275-F367 HydrophobicContact CB-CZ 4.45Å; F275-F367 HydrophobicContact CD2-CD1 4.14Å; F275-F367 HydrophobicContact CD2-CD2 4.17Å; F275-F367 AromaticContact CD2-CE1 3.52Å; F275-F367 HydrophobicContact CD2-CE1 3.52Å; F275-F367 AromaticContact CD2-CE2 3.56Å; F275-F367 HydrophobicContact CD2-CE2 3.56Å; F275-F367 HydrophobicContact CD2-CG 4.44Å; F275-F367 AromaticContact CD2-CZ 3.2Å; F275-F367 HydrophobicContact CD2-CZ 3.2Å; F275-F367 HydrophobicContact CE2-CE1 4.31Å; F275-F367 AromaticContact CE2-CE2 3.84Å; F275-F367 HydrophobicContact CE2-CE2 3.84Å; F275-F367 AromaticContact CE2-CZ 3.58Å; F275-F367 HydrophobicContact CE2-CZ 3.58Å; F275-F367 HydrophobicContact CG-CD1 4.48Å; F275-F367 AromaticContact CG-CE1 3.89Å; F275-F367 HydrophobicContact CG-CE1 3.89Å; F275-F367 HydrophobicContact CG-CZ 4Å; F275-F367 PolarHBondContact N-O 3.49Å; F275-F367 PolarHBondContact O-N 2.79Å; F275-I369 HydrophobicContact CE2-CG2 4.32Å; F275-F374 HydrophobicContact CZ-CZ 4.38Å
276	L	98.9	Very high	98.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.7	171.4	-66.8	178.2	0	0	0	109.4	V189 I190 I191 V208 W286 L366 V413	V189-L276 HydrophobicContact CG1-CD1 4Å; V189-L276 HydrophobicContact CG1-CG 4.4Å; I190-L276 PolarHBondContact O-N 3.34Å; I190-L276 VanDerWaalsContact O-N 3.08Å; I191-L276 WeakPolarHBondContact CA-O 3.45Å; I191-L276 HydrophobicContact CG1-CB 4.1Å; V208-L276 HydrophobicContact CG2-CD1 3.6Å; L276-W286 HydrophobicContact CD1-CH2 3.77Å; L276-W286 HydrophobicContact CD1-CZ2 4.35Å; L276-W286 HydrophobicContact CD1-CZ3 4.37Å; L276-W286 HydrophobicContact CD2-CH2 4.32Å; L276-W286 HydrophobicContact CD2-CZ3 4.11Å; L276-W286 HydrophobicContact CG-CH2 4.32Å; L276-L366 HydrophobicContact CD2-CB 4.16Å; L276-L366 HydrophobicContact CD2-CD2 3.78Å; L276-L366 HydrophobicContact CD2-CG 3.77Å; L276-V413 HydrophobicContact CD2-CG1 4.25Å
277	D	98.4	Very high	98.6	Very high	28 Å²	28	18.5 Å²	18.5	15%	0.15	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	160.6	169.3	-65.5	-21.9	0	0	0	110.3	R261 H279 C280 H415	R261-D277 IonicContact NH2-OD1 3.91Å; R261-D277 PolarHBondContact NH2-OD1 3.49Å; D277-H279 PolarHBondContact O-N 3.4Å; D277-H279 VanDerWaalsContact O-N 3.08Å; D277-C280 PolarHBondContact O-SG 3.4Å; D277-H415 IonicContact OD2-CD2 2.69Å; D277-H415 IonicContact OD2-NE2 3.76Å
278	A	98.5	Very high	98.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.008	9%	0.089	C	C	.	.	S	Bend	trans	-77.9	12.1	-171.4	0	0	0	0	0	115.4	I191 F193 E196 T200 L201 T204	I191-A278 HydrophobicContact CG2-CB 3.76Å; F193-A278 HydrophobicContact CB-CB 3.74Å; E196-A278 HydrophobicContact CB-CB 4.25Å; E196-A278 HydrophobicContact CG-CB 3.76Å; T200-A278 CarbonylContact C-O 3.52Å; T200-A278 VanDerWaalsContact C-O 3.25Å; L201-A278 VanDerWaalsContact CA-O 3.28Å; L201-A278 WeakPolarHBondContact CA-O 3.03Å; L201-A278 HydrophobicContact CD1-CB 3.89Å; L201-A278 PolarHBondContact N-O 3.19Å; T204-A278 PolarHBondContact OG1-O 3.3Å; T204-A278 VanDerWaalsContact OG1-O 3.07Å
279	H	98.6	Very high	98.7	Very high	23 Å²	23	16.4 Å²	16.4	11%	0.106	9%	0.088	C	C	.	.	S	Bend	trans	-141.1	54.1	-176.6	40	-83.8	0	0	0	109.6	E196 T200 T204 D277 H415 V416 R418	E196-H279 IonicContact OE2-CE1 3.16Å; E196-H279 IonicContact OE2-CG 3.83Å; E196-H279 IonicContact OE2-ND1 2.71Å; E196-H279 PolarHBondContact OE2-ND1 3.38Å; T200-H279 HydrophobicContact CG2-CB 4.49Å; T204-H279 PolarHBondContact OG1-N 2.76Å; D277-H279 PolarHBondContact O-N 3.4Å; D277-H279 VanDerWaalsContact O-N 3.08Å; H279-H415 AromaticContact CD2-CD2 3.82Å; H279-H415 AromaticContact CD2-NE2 3.48Å; H279-H415 PolarHBondContact CD2-NE2 2.72Å; H279-H415 AromaticContact NE2-NE2 3.26Å; H279-H415 PolarHBondContact NE2-NE2 2.73Å; H279-V416 HydrophobicContact CB-CB 4.25Å; H279-V416 HydrophobicContact CB-CG2 4.22Å; H279-V416 PolarHBondContact O-N 3.48Å; H279-V416 VanDerWaalsContact O-N 3.15Å; H279-R418 PolarHBondContact CE1-NH2 3.08Å; H279-R418 VanDerWaalsContact CG-NH2 3.33Å; H279-R418 PolarHBondContact ND1-NH2 2.89Å; H279-R418 PolarHBondContact NE2-NH2 2.97Å
280	C	98.9	Very high	98.7	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.007	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.2	-178	-70.3	0	0	0	0	112.1	T204 D277 V413 G414	T204-C280 VanDerWaalsContact CA-O 3.31Å; T204-C280 WeakPolarHBondContact CA-O 3.05Å; T204-C280 HydrophobicContact CG2-CB 4.05Å; T204-C280 PolarHBondContact OG1-N 2.9Å; T204-C280 PolarHBondContact OG1-O 2.72Å; D277-C280 PolarHBondContact O-SG 3.4Å; C280-V413 HydrophobicContact CB-CG1 3.97Å; C280-G414 CarbonylContact C-O 3.51Å; C280-G414 WeakPolarHBondContact CA-O 3.45Å; C280-G414 WeakPolarHBondContact CB-O 3.5Å
281	E	98.9	Very high	98.7	Very high	7 Å²	7	12 Å²	12	3%	0.033	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.8	169	-65.1	-176.9	-111.7	0	0	108.9	R162 L164 R203 I309 F316 G414	R162-E281 IonicContact CZ-OE1 2.95Å; R162-E281 IonicContact CZ-OE2 2.67Å; R162-E281 IonicContact NE-OE1 3.57Å; R162-E281 PolarHBondContact NE-OE1 2.75Å; R162-E281 IonicContact NE-OE2 3.34Å; R162-E281 PolarHBondContact NE-OE2 3.49Å; R162-E281 IonicContact NH2-OE1 3.03Å; R162-E281 PolarHBondContact NH2-OE1 3.09Å; R162-E281 IonicContact NH2-OE2 3.63Å; L164-E281 HydrophobicContact CD1-CB 4.37Å; R203-E281 HydrophobicContact CG-CG 4.12Å; E281-I309 HydrophobicContact CB-CD1 3.88Å; E281-I309 HydrophobicContact CG-CD1 3.84Å; E281-F316 HydrophobicContact CB-CD2 4.32Å; E281-F316 HydrophobicContact CB-CE2 4.16Å; E281-G414 PolarHBondContact N-O 2.89Å; E281-G414 PolarHBondContact O-N 2.59Å
282	C	98.9	Very high	98.7	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.8	-179.3	-61	0	0	0	0	111	S207 S211 W286	S207-C282 PolarHBondContact OG-N 2.85Å; S207-C282 PolarHBondContact OG-O 2.97Å; S211-C282 WeakPolarHBondContact OG-CB 3.3Å; C282-W286 HydrophobicContact CB-CD2 4.08Å; C282-W286 HydrophobicContact CB-CG 3.93Å; C282-W286 VanDerWaalsContact SG-CE2 3.59Å
283	F	98.7	Very high	98.7	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-79.6	171	173.5	-150.3	-110.4	0	0	0	111.1	L164 D167 R169 W286 F316 P319 V412	L164-F283 HydrophobicContact CB-CD2 3.93Å; L164-F283 HydrophobicContact CB-CE2 3.73Å; L164-F283 HydrophobicContact CD1-CD2 3.63Å; L164-F283 HydrophobicContact CD1-CE2 4.29Å; L164-F283 HydrophobicContact CG-CD2 4.44Å; D167-F283 WeakPolarHBondContact OD1-CE1 3.26Å; R169-F283 HydrophobicContact CG-CD1 4.06Å; R169-F283 HydrophobicContact CG-CE1 3.99Å; F283-W286 WeakPolarHBondContact O-CB 3.5Å; F283-F316 AromaticContact CD2-CE1 3.89Å; F283-F316 HydrophobicContact CD2-CE1 3.89Å; F283-F316 AromaticContact CD2-CZ 3.96Å; F283-F316 HydrophobicContact CD2-CZ 3.96Å; F283-F316 HydrophobicContact CE2-CE1 4.27Å; F283-P319 HydrophobicContact CD1-CG 4.18Å; F283-P319 HydrophobicContact CE1-CG 3.76Å; F283-P319 HydrophobicContact CZ-CG 4.08Å; F283-V412 HydrophobicContact CB-CB 3.79Å; F283-V412 HydrophobicContact CB-CG1 4.13Å; F283-V412 WeakPolarHBondContact CB-O 3.39Å; F283-V412 HydrophobicContact CD1-CB 4.49Å; F283-V412 HydrophobicContact CG-CB 4.31Å; F283-V412 HydrophobicContact CG-CG1 4.47Å; F283-V412 PolarHBondContact N-O 2.99Å
284	Y	98.3	Very high	98.7	Very high	68 Å²	68	11.2 Å²	11.2	27%	0.267	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	138.5	179.1	-51.1	-72.3	0	0	0	111.2	R113 L164 G165 D167 R169 W286	R113-Y284 PolarHBondContact NH1-OH 3.12Å; L164-Y284 PolarHBondContact N-OH 3.21Å; G165-Y284 WeakPolarHBondContact O-CE2 3.16Å; G165-Y284 PolarHBondContact O-OH 3.17Å; D167-Y284 HydrophobicContact CB-CD2 3.99Å; R169-Y284 PolarHBondContact NE-O 3.42Å; R169-Y284 PolarHBondContact NH1-O 3.28Å; R169-Y284 VanDerWaalsContact NH1-O 3.14Å; R169-Y284 PolarHBondContact NH2-O 3.38Å; Y284-W286 VanDerWaalsContact C-N 3.25Å; Y284-W286 PolarHBondContact O-N 3.2Å
285	G	98.1	Very high	98.7	Very high	20 Å²	20	12.6 Å²	12.6	21%	0.206	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	30.1	176.2	0	0	0	0	0	114.5	R169 E288 P289	R169-G285 PolarHBondContact NH1-O 3.49Å; G285-E288 VanDerWaalsContact C-OE2 3.27Å; G285-E288 WeakPolarHBondContact CA-OE2 3.34Å; G285-P289 WeakPolarHBondContact O-CD 3.29Å
286	W	98.8	Very high	98.6	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.099	C	C	.	.			trans	-73.4	-29.9	-176	76.2	-74.7	0	0	0	113.1	V208 S211 T274 L276 C282 F283 Y284 L290 S411 V413	V208-W286 HydrophobicContact CG2-CZ2 4.49Å; S211-W286 PolarHBondContact OG-NE1 3.42Å; T274-W286 HydrophobicContact CG2-CH2 3.69Å; T274-W286 HydrophobicContact CG2-CZ3 3.84Å; L276-W286 HydrophobicContact CD1-CH2 3.77Å; L276-W286 HydrophobicContact CD1-CZ2 4.35Å; L276-W286 HydrophobicContact CD1-CZ3 4.37Å; L276-W286 HydrophobicContact CD2-CH2 4.32Å; L276-W286 HydrophobicContact CD2-CZ3 4.11Å; L276-W286 HydrophobicContact CG-CH2 4.32Å; C282-W286 HydrophobicContact CB-CD2 4.08Å; C282-W286 HydrophobicContact CB-CG 3.93Å; C282-W286 VanDerWaalsContact SG-CE2 3.59Å; F283-W286 WeakPolarHBondContact O-CB 3.5Å; Y284-W286 VanDerWaalsContact C-N 3.25Å; Y284-W286 PolarHBondContact O-N 3.2Å; W286-L290 HydrophobicContact CE3-CD1 4.03Å; W286-L290 HydrophobicContact CZ3-CD1 4.08Å; W286-S411 WeakPolarHBondContact O-CB 3.19Å; W286-S411 PolarHBondContact O-OG 2.84Å; W286-V413 HydrophobicContact CB-CG2 4.27Å; W286-V413 HydrophobicContact CD2-CG2 3.96Å; W286-V413 HydrophobicContact CE3-CG2 3.41Å; W286-V413 VanDerWaalsContact CE3-CG2 3.41Å; W286-V413 HydrophobicContact CG-CG2 4.33Å; W286-V413 HydrophobicContact CZ3-CG2 4.06Å
287	L	98.9	Very high	98.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-87.4	-40.5	-166	-176	58.6	0	0	0	112.2	T187 L216 L290 L291	T187-L287 HydrophobicContact CG2-CD1 4.13Å; T187-L287 HydrophobicContact CG2-CD2 4.03Å; L216-L287 HydrophobicContact CB-CD2 4.3Å; L287-L290 WeakPolarHBondContact O-CB 3.13Å; L287-L290 PolarHBondContact O-N 3.39Å; L287-L290 VanDerWaalsContact O-N 3.16Å; L287-L291 HydrophobicContact CD1-CD1 3.84Å; L287-L291 HydrophobicContact CD1-CD2 4.28Å; L287-L291 HydrophobicContact CD1-CG 3.89Å; L287-L291 HydrophobicContact CD2-CD1 3.99Å; L287-L291 HydrophobicContact CG-CD1 3.61Å; L287-L291 HydrophobicContact CG-CG 4.02Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 2.99Å; L287-L291 VanDerWaalsContact O-N 3.1Å
288	E	98.8	Very high	98.5	Very high	20 Å²	20	21.6 Å²	21.6	9%	0.093	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-43.3	-173.4	-54	94	131.1	0	0	113.2	L107 F178 P213 L216 G285 L290 L291 A292	L107-E288 HydrophobicContact CD1-CG 4.48Å; L107-E288 HydrophobicContact CD2-CG 4.42Å; F178-E288 HydrophobicContact CD1-CB 4.22Å; F178-E288 HydrophobicContact CD2-CB 3.69Å; F178-E288 HydrophobicContact CD2-CG 4.25Å; F178-E288 HydrophobicContact CE1-CB 3.88Å; F178-E288 HydrophobicContact CE2-CB 3.31Å; F178-E288 HydrophobicContact CE2-CG 4.05Å; F178-E288 HydrophobicContact CG-CB 4.14Å; F178-E288 HydrophobicContact CZ-CB 3.42Å; F178-E288 VanDerWaalsContact CZ-CB 3.42Å; P213-E288 HydrophobicContact CG-CG 4Å; P213-E288 WeakPolarHBondContact CG-OE1 3.11Å; L216-E288 HydrophobicContact CD1-CG 4.08Å; G285-E288 VanDerWaalsContact C-OE2 3.27Å; G285-E288 WeakPolarHBondContact CA-OE2 3.34Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.33Å; E288-L291 PolarHBondContact O-N 2.96Å; E288-A292 WeakPolarHBondContact O-CB 3.27Å; E288-A292 PolarHBondContact O-N 3.33Å
289	P	98.9	Very high	98.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.013	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-35.9	176.2	-22.9	33.9	0	0	0	113.3	F178 G285 R293 M408 C410	F178-P289 HydrophobicContact CE1-CG 4.43Å; F178-P289 HydrophobicContact CZ-CG 4.07Å; G285-P289 WeakPolarHBondContact O-CD 3.29Å; P289-R293 WeakPolarHBondContact O-CB 3.27Å; P289-R293 PolarHBondContact O-N 3.31Å; P289-R293 VanDerWaalsContact O-N 3.16Å; P289-M408 HydrophobicContact CB-CB 4.44Å; P289-M408 HydrophobicContact CB-CE 4.44Å; P289-C410 HydrophobicContact CB-CB 4.31Å; P289-C410 HydrophobicContact CG-CB 3.95Å
290	L	98.9	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-51.6	178.3	-56.7	178.4	0	0	0	110.3	W286 L287 E288 R293 I294 V302 M408 S411	W286-L290 HydrophobicContact CE3-CD1 4.03Å; W286-L290 HydrophobicContact CZ3-CD1 4.08Å; L287-L290 WeakPolarHBondContact O-CB 3.13Å; L287-L290 PolarHBondContact O-N 3.39Å; L287-L290 VanDerWaalsContact O-N 3.16Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.33Å; L290-R293 PolarHBondContact O-N 3.34Å; L290-I294 WeakPolarHBondContact O-CG1 3.17Å; L290-I294 PolarHBondContact O-N 3.24Å; L290-I294 VanDerWaalsContact O-N 3.14Å; L290-V302 HydrophobicContact CB-CG2 3.83Å; L290-V302 HydrophobicContact CD2-CB 4.17Å; L290-V302 HydrophobicContact CD2-CG2 3.94Å; L290-V302 HydrophobicContact CG-CG2 4.47Å; L290-M408 HydrophobicContact CD2-CB 3.9Å; L290-M408 HydrophobicContact CD2-CG 3.82Å; L290-S411 WeakPolarHBondContact CD1-OG 3.21Å; L290-S411 WeakPolarHBondContact CG-OG 3.38Å
291	L	98.9	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.5	-36.2	-176.6	-59.7	-175.2	0	0	0	112.1	P185 T187 L216 T272 L287 E288 R293 I294 A295	P185-L291 WeakPolarHBondContact CD-O 3.29Å; P185-L291 HydrophobicContact CG-CB 4.12Å; P185-L291 HydrophobicContact CG-CD2 4.44Å; P185-L291 WeakPolarHBondContact O-CD1 3.39Å; T187-L291 HydrophobicContact CG2-CD1 4.34Å; L216-L291 HydrophobicContact CB-CD1 4.02Å; L216-L291 HydrophobicContact CD1-CD1 4.08Å; L216-L291 HydrophobicContact CG-CD1 4.48Å; T272-L291 HydrophobicContact CG2-CD2 4.22Å; T272-L291 VanDerWaalsContact OG1-CD2 3.27Å; T272-L291 WeakPolarHBondContact OG1-CD2 3.17Å; L287-L291 HydrophobicContact CD1-CD1 3.84Å; L287-L291 HydrophobicContact CD1-CD2 4.28Å; L287-L291 HydrophobicContact CD1-CG 3.89Å; L287-L291 HydrophobicContact CD2-CD1 3.99Å; L287-L291 HydrophobicContact CG-CD1 3.61Å; L287-L291 HydrophobicContact CG-CG 4.02Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 2.99Å; L287-L291 VanDerWaalsContact O-N 3.1Å; E288-L291 PolarHBondContact O-N 2.96Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.3Å; L291-I294 PolarHBondContact O-N 2.92Å; L291-A295 WeakPolarHBondContact O-CB 3.27Å; L291-A295 PolarHBondContact O-N 2.96Å
292	A	98.8	Very high	98.4	Very high	15 Å²	15	20.4 Å²	20.4	12%	0.124	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-43.5	173.5	0	0	0	0	0	111.3	F178 L184 E288 I294 A295 E296	F178-A292 HydrophobicContact CD1-CB 3.61Å; F178-A292 HydrophobicContact CE1-CB 3.98Å; L184-A292 VanDerWaalsContact CD2-CA 3.44Å; L184-A292 HydrophobicContact CD2-CB 3.64Å; E288-A292 WeakPolarHBondContact O-CB 3.27Å; E288-A292 PolarHBondContact O-N 3.33Å; A292-I294 PolarHBondContact O-N 3.39Å; A292-A295 WeakPolarHBondContact O-CB 3.42Å; A292-A295 PolarHBondContact O-N 3.44Å; A292-E296 WeakPolarHBondContact O-CG 3.44Å; A292-E296 PolarHBondContact O-N 3.44Å
293	R	98.7	Very high	98.4	Very high	40 Å²	40	20.6 Å²	20.6	15%	0.151	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-39	179.7	-177.7	56.2	-176.2	150.7	5.2	112.4	P289 L290 L291 E296 N297 A300 V302 E406 M408	P289-R293 WeakPolarHBondContact O-CB 3.27Å; P289-R293 PolarHBondContact O-N 3.31Å; P289-R293 VanDerWaalsContact O-N 3.16Å; L290-R293 PolarHBondContact O-N 3.34Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.3Å; R293-E296 IonicContact NH1-OE2 3.48Å; R293-E296 PolarHBondContact O-N 3Å; R293-N297 PolarHBondContact O-N 3.19Å; R293-A300 HydrophobicContact CG-CB 4.4Å; R293-V302 HydrophobicContact CB-CG1 4.02Å; R293-V302 HydrophobicContact CG-CG1 3.55Å; R293-E406 WeakPolarHBondContact CG-OE2 3.3Å; R293-E406 IonicContact CZ-OE1 3.57Å; R293-E406 IonicContact CZ-OE2 2.72Å; R293-E406 IonicContact NE-OE1 3.52Å; R293-E406 IonicContact NE-OE2 2.78Å; R293-E406 PolarHBondContact NE-OE2 3.01Å; R293-E406 IonicContact NH2-OE1 2.79Å; R293-E406 PolarHBondContact NH2-OE1 2.8Å; R293-E406 IonicContact NH2-OE2 2.73Å; R293-E406 PolarHBondContact NH2-OE2 2.86Å; R293-M408 HydrophobicContact CB-CE 4.37Å; R293-M408 HydrophobicContact CB-SD 4.17Å; R293-M408 HydrophobicContact CG-SD 4.05Å
294	I	98.8	Very high	98.4	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-66.9	-37.5	173.7	-63.5	166.3	0	0	0	111.1	T272 L290 L291 A292 E296 N297 Y298 V302	T272-I294 HydrophobicContact CG2-CB 4.49Å; T272-I294 HydrophobicContact CG2-CD1 4.05Å; T272-I294 HydrophobicContact CG2-CG2 3.87Å; L290-I294 WeakPolarHBondContact O-CG1 3.17Å; L290-I294 PolarHBondContact O-N 3.24Å; L290-I294 VanDerWaalsContact O-N 3.14Å; L291-I294 PolarHBondContact O-N 2.92Å; A292-I294 PolarHBondContact O-N 3.39Å; I294-E296 VanDerWaalsContact C-N 3.3Å; I294-E296 PolarHBondContact O-N 3.46Å; I294-N297 CarbonylContact O-C 3.25Å; I294-N297 PolarHBondContact O-N 3.02Å; I294-Y298 VanDerWaalsContact O-CA 3.25Å; I294-Y298 WeakPolarHBondContact O-CA 3.48Å; I294-Y298 PolarHBondContact O-N 2.89Å; I294-Y298 VanDerWaalsContact O-N 3.09Å; I294-V302 HydrophobicContact CD1-CG2 3.8Å; I294-V302 HydrophobicContact CG1-CG2 3.82Å
295	A	97.9	Very high	98.4	Very high	30 Å²	30	19 Å²	19	25%	0.248	10%	0.102	C	C	.	.	H	α-helix	trans	-62	-38.4	176.2	0	0	0	0	0	112.1	P182 L291 A292	P182-A295 HydrophobicContact CB-CB 4.38Å; P182-A295 HydrophobicContact CG-CB 4Å; P182-A295 WeakPolarHBondContact CG-O 3.36Å; L291-A295 WeakPolarHBondContact O-CB 3.27Å; L291-A295 PolarHBondContact O-N 2.96Å; A292-A295 WeakPolarHBondContact O-CB 3.42Å; A292-A295 PolarHBondContact O-N 3.44Å
296	E	97.3	Very high	98.4	Very high	131 Å²	131	19.1 Å²	19.1	61%	0.612	10%	0.098	S	C	*	.	H	α-helix	trans	-74.1	-38.1	175.4	-69.3	179.3	171.4	0	0	112.9	A292 R293 I294	A292-E296 WeakPolarHBondContact O-CG 3.44Å; A292-E296 PolarHBondContact O-N 3.44Å; R293-E296 IonicContact NH1-OE2 3.48Å; R293-E296 PolarHBondContact O-N 3Å; I294-E296 VanDerWaalsContact C-N 3.3Å; I294-E296 PolarHBondContact O-N 3.46Å
297	N	97.6	Very high	98.3	Very high	31 Å²	31	19.6 Å²	19.6	17%	0.166	10%	0.102	C	C	.	.			trans	-141.6	96.5	-179.7	-174.7	10.1	0	0	0	110.8	R293 I294 T299 A300 Q404	R293-N297 PolarHBondContact O-N 3.19Å; I294-N297 CarbonylContact O-C 3.25Å; I294-N297 PolarHBondContact O-N 3.02Å; N297-T299 PolarHBondContact O-N 2.64Å; N297-T299 VanDerWaalsContact O-N 3.1Å; N297-T299 PolarHBondContact OD1-N 2.83Å; N297-T299 PolarHBondContact OD1-OG1 2.89Å; N297-A300 HydrophobicContact CB-CB 4.18Å; N297-A300 WeakPolarHBondContact O-CB 3.42Å; N297-A300 PolarHBondContact O-N 2.84Å; N297-Q404 PolarHBondContact ND2-OE1 2.92Å; N297-Q404 VanDerWaalsContact ND2-OE1 3.12Å
298	Y	96.4	Very high	98.3	Very high	56 Å²	56	21.5 Å²	21.5	22%	0.22	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.1	-173.8	82.3	-85.7	0	0	0	114.2	P85 I294 A300 Y373	P85-Y298 VanDerWaalsContact C-OH 3.24Å; P85-Y298 WeakPolarHBondContact CA-OH 3.32Å; P85-Y298 WeakPolarHBondContact CB-OH 3.34Å; P85-Y298 WeakPolarHBondContact CD-OH 3.27Å; P85-Y298 WeakPolarHBondContact CG-OH 3.42Å; P85-Y298 PolarHBondContact O-OH 3.03Å; I294-Y298 VanDerWaalsContact O-CA 3.25Å; I294-Y298 WeakPolarHBondContact O-CA 3.48Å; I294-Y298 PolarHBondContact O-N 2.89Å; I294-Y298 VanDerWaalsContact O-N 3.09Å; Y298-A300 VanDerWaalsContact C-N 3.34Å; Y298-Y373 HydrophobicContact CD2-CD2 4.49Å; Y298-Y373 HydrophobicContact CE2-CD2 4.18Å; Y298-Y373 WeakPolarHBondContact O-CB 3.5Å
299	T	98.2	Very high	98.3	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.043	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.8	174.1	72.1	0	0	0	0	113	P85 N297 Y373 G403 Q404	P85-T299 HydrophobicContact CG-CG2 4.35Å; N297-T299 PolarHBondContact O-N 2.64Å; N297-T299 VanDerWaalsContact O-N 3.1Å; N297-T299 PolarHBondContact OD1-N 2.83Å; N297-T299 PolarHBondContact OD1-OG1 2.89Å; T299-Y373 HydrophobicContact CG2-CD2 4.04Å; T299-Y373 HydrophobicContact CG2-CE2 3.78Å; T299-Y373 VanDerWaalsContact O-CE1 3.29Å; T299-Y373 WeakPolarHBondContact O-CE1 3.11Å; T299-G403 WeakPolarHBondContact O-CA 3.21Å; T299-Q404 PolarHBondContact O-N 3.24Å
300	A	98.7	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130	173.3	0	0	0	0	0	110.2	R293 N297 Y298 V302 Q404	R293-A300 HydrophobicContact CG-CB 4.4Å; N297-A300 HydrophobicContact CB-CB 4.18Å; N297-A300 WeakPolarHBondContact O-CB 3.42Å; N297-A300 PolarHBondContact O-N 2.84Å; Y298-A300 VanDerWaalsContact C-N 3.34Å; A300-V302 HydrophobicContact CB-CG1 3.95Å; A300-Q404 WeakPolarHBondContact CA-O 3.41Å
301	V	98.9	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.5	169.9	-175.4	0	0	0	0	106.3	F362 F367 I369 Y373 M394 V398 Q404 L405 E406	V301-F362 HydrophobicContact CG1-CE2 4.33Å; V301-F367 HydrophobicContact CG1-CD2 3.68Å; V301-F367 HydrophobicContact CG1-CE2 4.21Å; V301-F367 HydrophobicContact CG1-CG 4.45Å; V301-I369 HydrophobicContact CB-CD1 4.49Å; V301-I369 HydrophobicContact CG1-CB 4.43Å; V301-I369 HydrophobicContact CG1-CD1 4.35Å; V301-I369 HydrophobicContact CG2-CD1 3.49Å; V301-I369 VanDerWaalsContact CG2-CD1 3.49Å; V301-I369 HydrophobicContact CG2-CG1 3.9Å; V301-Y373 HydrophobicContact CG2-CD1 4.42Å; V301-Y373 HydrophobicContact CG2-CE1 4.1Å; V301-M394 HydrophobicContact CG1-CE 4.32Å; V301-V398 HydrophobicContact CG2-CG1 3.92Å; V301-V398 HydrophobicContact CG2-CG2 3.86Å; V301-Q404 PolarHBondContact N-O 3.42Å; V301-L405 HydrophobicContact CB-CD1 3.66Å; V301-L405 HydrophobicContact CG1-CD1 3.72Å; V301-L405 WeakPolarHBondContact O-CA 3.36Å; V301-E406 PolarHBondContact O-N 2.94Å
302	V	98.8	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131	-163.5	-61.8	0	0	0	0	110.7	L290 R293 I294 A300 F367 S368 E406 M408	L290-V302 HydrophobicContact CB-CG2 3.83Å; L290-V302 HydrophobicContact CD2-CB 4.17Å; L290-V302 HydrophobicContact CD2-CG2 3.94Å; L290-V302 HydrophobicContact CG-CG2 4.47Å; R293-V302 HydrophobicContact CB-CG1 4.02Å; R293-V302 HydrophobicContact CG-CG1 3.55Å; I294-V302 HydrophobicContact CD1-CG2 3.8Å; I294-V302 HydrophobicContact CG1-CG2 3.82Å; A300-V302 HydrophobicContact CB-CG1 3.95Å; V302-F367 CarbonylContact O-C 3.53Å; V302-F367 VanDerWaalsContact O-CA 3.31Å; V302-F367 WeakPolarHBondContact O-CA 3.31Å; V302-F367 WeakPolarHBondContact O-CB 3.45Å; V302-S368 PolarHBondContact N-O 3.18Å; V302-S368 PolarHBondContact O-N 2.83Å; V302-E406 CarbonylContact C-O 3.52Å; V302-E406 WeakPolarHBondContact CA-O 3.23Å; V302-E406 HydrophobicContact CG1-CB 4.35Å; V302-M408 HydrophobicContact CB-CG 4.27Å
303	S	98.8	Very high	98.1	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.035	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.5	-179.8	-51	0	0	0	0	110	E406 I407 M408	S303-E406 PolarHBondContact N-O 2.78Å; S303-I407 CarbonylContact O-C 3.58Å; S303-I407 WeakPolarHBondContact O-CA 3.13Å; S303-M408 PolarHBondContact O-N 3.46Å
304	P	98.8	Very high	98.1	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.019	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	159.4	164.8	31.5	-34.5	0	0	0	110.1	I306 L366 S411 V413	P304-I306 HydrophobicContact CG-CG1 4.33Å; P304-I306 PolarHBondContact O-N 2.82Å; P304-L366 WeakPolarHBondContact CD-O 3.32Å; P304-L366 HydrophobicContact CG-CB 3.84Å; P304-L366 HydrophobicContact CG-CD2 4.14Å; P304-S411 CarbonylContact C-O 3.56Å; P304-S411 VanDerWaalsContact CA-O 3.28Å; P304-S411 WeakPolarHBondContact CA-O 3.36Å; P304-S411 WeakPolarHBondContact CB-O 3.32Å; P304-S411 WeakPolarHBondContact CB-OG 3.28Å; P304-V413 HydrophobicContact CB-CB 4.15Å; P304-V413 HydrophobicContact CB-CG2 3.76Å; P304-V413 HydrophobicContact CG-CB 4.04Å; P304-V413 HydrophobicContact CG-CG2 3.87Å
305	D	98	Very high	98	Very high	34 Å²	34	30.7 Å²	30.7	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117.6	157.3	-170.8	13.9	0	0	0	108.8	A307 H326 I407 S411 V412 V413	D305-A307 PolarHBondContact O-N 2.7Å; D305-H326 IonicContact OD2-ND1 3.36Å; D305-I407 HydrophobicContact CB-CG2 4.21Å; D305-S411 PolarHBondContact N-O 3.43Å; D305-V412 WeakPolarHBondContact O-CA 3.48Å; D305-V413 PolarHBondContact O-N 2.75Å
306	I	98.1	Very high	98.1	Very high	22 Å²	22	29.5 Å²	29.5	11%	0.113	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106	-168.5	-54.8	175.5	0	0	0	108.8	P304 W339 A363 L366 V413 H415 F417	P304-I306 HydrophobicContact CG-CG1 4.33Å; P304-I306 PolarHBondContact O-N 2.82Å; I306-W339 HydrophobicContact CD1-CH2 4.47Å; I306-W339 HydrophobicContact CD1-CZ2 4.46Å; I306-A363 HydrophobicContact CD1-CB 3.86Å; I306-L366 HydrophobicContact CD1-CB 4.36Å; I306-L366 HydrophobicContact CD1-CD1 4.39Å; I306-V413 CarbonylContact C-O 3.59Å; I306-V413 WeakPolarHBondContact CA-O 3.46Å; I306-H415 HydrophobicContact CG2-CB 3.67Å; I306-F417 HydrophobicContact CB-CZ 4.45Å; I306-F417 HydrophobicContact CG2-CE2 3.95Å; I306-F417 HydrophobicContact CG2-CZ 3.58Å
307	A	97.2	Very high	98.1	Very high	11 Å²	11	27.5 Å²	27.5	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	147.5	173.6	0	0	0	0	0	110.8	D305 F316 N317 V412 V413 G414 H415	D305-A307 PolarHBondContact O-N 2.7Å; A307-F316 HydrophobicContact CB-CE1 3.74Å; A307-F316 HydrophobicContact CB-CZ 3.76Å; A307-N317 WeakPolarHBondContact CB-O 3.48Å; A307-V412 HydrophobicContact CB-CG1 3.87Å; A307-V413 PolarHBondContact N-O 3.17Å; A307-G414 CarbonylContact O-C 3.45Å; A307-G414 VanDerWaalsContact O-CA 3.29Å; A307-G414 WeakPolarHBondContact O-CA 3.22Å; A307-H415 PolarHBondContact O-N 2.81Å
308	S	97.4	Very high	98	Very high	39 Å²	39	29.5 Å²	29.5	27%	0.273	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.7	172.4	-174.7	0	0	0	0	110.5	N317	S308-N317 WeakPolarHBondContact O-CB 3.4Å; S308-N317 PolarHBondContact O-N 3.25Å
309	I	98.7	Very high	97.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.1	160.7	-58.8	169.8	0	0	0	106.5	E281 L311 F314 E315 F316 H415 V416	E281-I309 HydrophobicContact CB-CD1 3.88Å; E281-I309 HydrophobicContact CG-CD1 3.84Å; I309-L311 PolarHBondContact O-N 2.9Å; I309-F314 HydrophobicContact CG2-CB 4.37Å; I309-F314 HydrophobicContact CG2-CD1 4.02Å; I309-F314 HydrophobicContact CG2-CG 4.39Å; I309-E315 CarbonylContact C-O 3.58Å; I309-E315 WeakPolarHBondContact CA-O 3.28Å; I309-F316 HydrophobicContact CD1-CD2 4.16Å; I309-F316 HydrophobicContact CD1-CE2 4.46Å; I309-F316 HydrophobicContact CG1-CD2 3.8Å; I309-F316 HydrophobicContact CG1-CE2 4.32Å; I309-H415 PolarHBondContact N-O 3.46Å; I309-V416 HydrophobicContact CB-CG2 3.91Å; I309-V416 HydrophobicContact CD1-CG2 4.36Å; I309-V416 HydrophobicContact CG2-CG2 3.84Å
310	D	98.4	Very high	97.6	Very high	48 Å²	48	29.7 Å²	29.7	26%	0.257	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-62.3	124.8	-176.5	177.9	-99.3	0	0	0	111.1	N312 T313 F314 E315	D310-N312 PolarHBondContact O-N 3.12Å; D310-N312 VanDerWaalsContact O-N 3.11Å; D310-N312 WeakPolarHBondContact OD1-CA 3.42Å; D310-N312 WeakPolarHBondContact OD1-CB 3.35Å; D310-N312 PolarHBondContact OD1-N 3.48Å; D310-T313 WeakPolarHBondContact CB-OG1 3.1Å; D310-T313 WeakPolarHBondContact OD1-CB 3.43Å; D310-T313 PolarHBondContact OD1-N 3.45Å; D310-T313 PolarHBondContact OD1-OG1 3.49Å; D310-F314 VanDerWaalsContact O-CA 3.22Å; D310-F314 WeakPolarHBondContact O-CA 3.45Å; D310-F314 PolarHBondContact O-N 2.72Å; D310-E315 HydrophobicContact CB-CB 4.31Å; D310-E315 PolarHBondContact N-O 2.59Å
311	L	97.4	Very high	97.2	Very high	34 Å²	34	32.3 Å²	32.3	18%	0.178	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.3	-174.8	69.3	128.1	0	0	0	114.3	F150 N151 I309 V416 F417	F150-L311 HydrophobicContact CB-CB 3.86Å; N151-L311 WeakPolarHBondContact CB-O 3.05Å; N151-L311 PolarHBondContact N-O 3.35Å; I309-L311 PolarHBondContact O-N 2.9Å; L311-V416 HydrophobicContact CB-CG1 4.06Å; L311-F417 WeakPolarHBondContact CD2-O 3.42Å
312	N	97	Very high	96.6	Very high	75 Å²	75	42.5 Å²	42.5	40%	0.401	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-35.9	-175.5	-58.4	-63.1	0	0	0	112.4	N151 D310	N151-N312 WeakPolarHBondContact CB-O 3.5Å; N151-N312 PolarHBondContact ND2-O 3.04Å; D310-N312 PolarHBondContact O-N 3.12Å; D310-N312 VanDerWaalsContact O-N 3.11Å; D310-N312 WeakPolarHBondContact OD1-CA 3.42Å; D310-N312 WeakPolarHBondContact OD1-CB 3.35Å; D310-N312 PolarHBondContact OD1-N 3.48Å
313	T	98.2	Very high	95.3	Very high	29 Å²	29	43.5 Å²	43.5	18%	0.178	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-11.3	-171.1	63.3	0	0	0	0	113.5	F128 D310 E315	F128-T313 PolarHBondContact N-O 2.89Å; D310-T313 WeakPolarHBondContact CB-OG1 3.1Å; D310-T313 WeakPolarHBondContact OD1-CB 3.43Å; D310-T313 PolarHBondContact OD1-N 3.45Å; D310-T313 PolarHBondContact OD1-OG1 3.49Å; T313-E315 PolarHBondContact O-N 2.84Å; T313-E315 PolarHBondContact OG1-N 2.66Å
314	F	98.6	Very high	94	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.244	C	C	.	.			trans	57.1	24.9	-174.5	-79.3	-105.8	0	0	0	113.7	F150 N151 A154 I158 R162 T200 I309 D310 F316 V416	F150-F314 HydrophobicContact CD2-CE2 4.03Å; F150-F314 AromaticContact CD2-CZ 3.68Å; F150-F314 HydrophobicContact CD2-CZ 3.68Å; F150-F314 HydrophobicContact CE2-CZ 4Å; F150-F314 HydrophobicContact CG-CZ 4.45Å; N151-F314 VanDerWaalsContact O-CE2 3.29Å; N151-F314 WeakPolarHBondContact O-CE2 3.04Å; A154-F314 HydrophobicContact CB-CD2 4.13Å; I158-F314 HydrophobicContact CD1-CB 3.42Å; I158-F314 VanDerWaalsContact CD1-CB 3.42Å; I158-F314 HydrophobicContact CD1-CG 3.99Å; R162-F314 PolarHBondContact NH1-O 3.35Å; R162-F314 PolarHBondContact NH2-O 3.09Å; T200-F314 HydrophobicContact CG2-CE1 3.91Å; T200-F314 HydrophobicContact CG2-CZ 4.06Å; I309-F314 HydrophobicContact CG2-CB 4.37Å; I309-F314 HydrophobicContact CG2-CD1 4.02Å; I309-F314 HydrophobicContact CG2-CG 4.39Å; D310-F314 VanDerWaalsContact O-CA 3.22Å; D310-F314 WeakPolarHBondContact O-CA 3.45Å; D310-F314 PolarHBondContact O-N 2.72Å; F314-F316 PolarHBondContact O-N 3.41Å; F314-V416 HydrophobicContact CE1-CG2 3.97Å; F314-V416 HydrophobicContact CZ-CG2 4.41Å
315	E	98.8	Very high	93.2	Very high	87 Å²	87	52.7 Å²	52.7	41%	0.407	28%	0.283	S	S	.	.			trans	-64.3	130.3	167.9	-172.7	163.5	-148.6	0	0	109.7	G125 A127 I309 D310 T313	G125-E315 WeakPolarHBondContact O-CA 3.47Å; A127-E315 HydrophobicContact CB-CB 3.91Å; A127-E315 HydrophobicContact CB-CG 4.27Å; I309-E315 CarbonylContact C-O 3.58Å; I309-E315 WeakPolarHBondContact CA-O 3.28Å; D310-E315 HydrophobicContact CB-CB 4.31Å; D310-E315 PolarHBondContact N-O 2.59Å; T313-E315 PolarHBondContact O-N 2.84Å; T313-E315 PolarHBondContact OG1-N 2.66Å
316	F	98.6	Very high	92.9	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-92.6	119.3	175.7	-170.9	-72.8	0	0	0	109.1	G125 L164 E281 F283 A307 I309 F314 K318 V412 G414	G125-F316 PolarHBondContact O-N 2.95Å; L164-F316 HydrophobicContact CD1-CD2 3.85Å; L164-F316 HydrophobicContact CD1-CE2 3.6Å; L164-F316 HydrophobicContact CD1-CG 4.42Å; L164-F316 HydrophobicContact CD1-CZ 4Å; L164-F316 HydrophobicContact CD2-CB 4.15Å; L164-F316 HydrophobicContact CD2-CD2 3.79Å; L164-F316 HydrophobicContact CD2-CE2 4.4Å; L164-F316 HydrophobicContact CD2-CG 4.03Å; L164-F316 HydrophobicContact CG-CD2 4.46Å; E281-F316 HydrophobicContact CB-CD2 4.32Å; E281-F316 HydrophobicContact CB-CE2 4.16Å; F283-F316 AromaticContact CD2-CE1 3.89Å; F283-F316 HydrophobicContact CD2-CE1 3.89Å; F283-F316 AromaticContact CD2-CZ 3.96Å; F283-F316 HydrophobicContact CD2-CZ 3.96Å; F283-F316 HydrophobicContact CE2-CE1 4.27Å; A307-F316 HydrophobicContact CB-CE1 3.74Å; A307-F316 HydrophobicContact CB-CZ 3.76Å; I309-F316 HydrophobicContact CD1-CD2 4.16Å; I309-F316 HydrophobicContact CD1-CE2 4.46Å; I309-F316 HydrophobicContact CG1-CD2 3.8Å; I309-F316 HydrophobicContact CG1-CE2 4.32Å; F314-F316 PolarHBondContact O-N 3.41Å; F316-K318 HydrophobicContact CD1-CG 3.92Å; F316-K318 PolarHBondContact O-N 3.4Å; F316-V412 HydrophobicContact CE1-CG1 4.43Å; F316-V412 HydrophobicContact CZ-CG1 4.25Å; F316-G414 VanDerWaalsContact CE2-CA 3.41Å
317	N	96.9	Very high	92.7	Very high	90 Å²	90	53.9 Å²	53.9	48%	0.481	29%	0.289	S	S	.	.			trans	-74.3	95.6	174.1	-73.8	-17.4	0	0	0	110.2	A307 S308	A307-N317 WeakPolarHBondContact CB-O 3.48Å; S308-N317 WeakPolarHBondContact O-CB 3.4Å; S308-N317 PolarHBondContact O-N 3.25Å
318	K	95.9	Very high	92.7	Very high	73 Å²	73	53.8 Å²	53.8	32%	0.317	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-69.6	150.1	-174.8	-60.2	-172.9	-170.1	-171	0	112.3	S124 L164 F316	S124-K318 VanDerWaalsContact O-CE 3.22Å; S124-K318 WeakPolarHBondContact O-CE 3.33Å; S124-K318 PolarHBondContact O-NZ 3.37Å; L164-K318 WeakPolarHBondContact O-CE 3.39Å; L164-K318 PolarHBondContact O-NZ 2.95Å; F316-K318 HydrophobicContact CD1-CG 3.92Å; F316-K318 PolarHBondContact O-N 3.4Å
319	P	94.4	Very high	92.7	Very high	21 Å²	21	51.9 Å²	51.9	14%	0.136	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-62.4	152.6	172.3	27.7	-34.1	0	0	0	110.9	T168 R169 F283 V412	T168-P319 VanDerWaalsContact CB-O 3.25Å; T168-P319 WeakPolarHBondContact CB-O 3.46Å; T168-P319 CarbonylContact O-C 3.51Å; T168-P319 VanDerWaalsContact O-O 3.07Å; T168-P319 PolarHBondContact OG1-O 2.8Å; R169-P319 HydrophobicContact CG-CB 4.19Å; R169-P319 HydrophobicContact CG-CG 3.63Å; F283-P319 HydrophobicContact CD1-CG 4.18Å; F283-P319 HydrophobicContact CE1-CG 3.76Å; F283-P319 HydrophobicContact CZ-CG 4.08Å; P319-V412 HydrophobicContact CB-CG2 4.21Å; P319-V412 HydrophobicContact CG-CG2 4.21Å
320	S	91.4	Very high	92.5	Very high	45 Å²	45	53.1 Å²	53.1	32%	0.315	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-94.8	138.1	175.1	174.5	0	0	0	0	110.5	T168 Y322 G323	T168-S320 CarbonylContact O-C 3.48Å; S320-Y322 PolarHBondContact O-N 2.99Å; S320-Y322 PolarHBondContact OG-N 3.37Å; S320-G323 PolarHBondContact O-N 3.31Å
321	P	90.7	Very high	92.3	Very high	55 Å²	55	51 Å²	51	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.3	-179.6	29.5	-35.8	0	0	0	113.2	T168 G323	T168-P321 WeakPolarHBondContact O-CA 3.13Å; T168-P321 WeakPolarHBondContact O-CD 3.25Å; P321-G323 VanDerWaalsContact C-N 3.28Å
322	Y	87.4	Confident	91.8	Very high	214 Å²	214	51.8 Å²	51.8	84%	0.839	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	6.9	179.7	-55.2	-69.6	0	0	0	113.5	S320	S320-Y322 PolarHBondContact O-N 2.99Å; S320-Y322 PolarHBondContact OG-N 3.37Å
323	G	71.6	Confident	91.4	Very high	22 Å²	22	49 Å²	49	23%	0.227	26%	0.256	C	S	.	.			trans	76.5	138.3	-165.1	0	0	0	0	0	111.1	S320 P321	S320-G323 PolarHBondContact O-N 3.31Å; P321-G323 VanDerWaalsContact C-N 3.28Å
324	S	70.6	Confident	90.8	Very high	47 Å²	47	48.7 Å²	48.7	33%	0.329	26%	0.255	S	S	.	.			trans	-89.3	159.3	173.4	29.9	0	0	0	0	110.9	H326	S324-H326 PolarHBondContact O-CD2 3.13Å; S324-H326 PolarHBondContact O-N 2.92Å; S324-H326 PolarHBondContact OG-CE1 3.46Å; S324-H326 PolarHBondContact OG-ND1 3.31Å; S324-H326 VanDerWaalsContact OG-ND1 3.11Å
325	N	81.3	Confident	90.5	Very high	154 Å²	154	48.9 Å²	48.9	82%	0.824	26%	0.256	S	S	*	.			trans	-65.1	89.2	156.3	-78.1	-25	0	0	0	107.6
326	H	92.8	Very high	90	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.069	26%	0.255	C	S	.	.			trans	-63.9	148.7	179.5	-59.5	-57.6	0	0	0	111	D305 S324 L342 E353 I357	D305-H326 IonicContact OD2-ND1 3.36Å; S324-H326 PolarHBondContact O-CD2 3.13Å; S324-H326 PolarHBondContact O-N 2.92Å; S324-H326 PolarHBondContact OG-CE1 3.46Å; S324-H326 PolarHBondContact OG-ND1 3.31Å; S324-H326 VanDerWaalsContact OG-ND1 3.11Å; H326-L342 HydrophobicContact CB-CD1 3.94Å; H326-L342 HydrophobicContact CB-CD2 4.5Å; H326-L342 HydrophobicContact CB-CG 4.12Å; H326-E353 IonicContact CD2-OE1 3.62Å; H326-E353 IonicContact CD2-OE2 3.16Å; H326-E353 IonicContact CE1-OE2 3.5Å; H326-E353 PolarHBondContact CE1-OE2 2.89Å; H326-E353 IonicContact NE2-OE1 2.99Å; H326-E353 PolarHBondContact NE2-OE1 3.42Å; H326-E353 IonicContact NE2-OE2 3.18Å; H326-E353 PolarHBondContact NE2-OE2 3.4Å; H326-I357 HydrophobicContact CB-CD1 3.64Å
327	N	93.4	Very high	89.7	Confident	66 Å²	66	49.8 Å²	49.8	35%	0.353	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	152	169.5	-61.5	-50.2	0	0	0	109.8	W339 E340	N327-W339 HydrophobicContact CB-CB 4.06Å; N327-W339 HydrophobicContact CB-CD2 4.37Å; N327-W339 HydrophobicContact CB-CE3 3.81Å; N327-E340 CarbonylContact C-O 3.55Å; N327-E340 WeakPolarHBondContact CA-O 3.3Å
328	R	96.5	Very high	89.4	Confident	8 Å²	8	46.4 Å²	46.4	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	156.3	164.5	67.8	-177.8	-169.4	170.1	-0.9	109.1	W339 E340 L342 P343 I357 E495	R328-W339 WeakPolarHBondContact O-CA 3.48Å; R328-E340 HydrophobicContact CG-CG 3.82Å; R328-E340 IonicContact CZ-OE1 3.98Å; R328-E340 PolarHBondContact N-O 2.05Å; R328-E340 IonicContact NE-OE1 3.36Å; R328-E340 PolarHBondContact NE-OE1 2.92Å; R328-E340 IonicContact NH2-OE1 3.66Å; R328-E340 PolarHBondContact NH2-OE1 3.33Å; R328-E340 PolarHBondContact O-N 2.78Å; R328-L342 HydrophobicContact CB-CD2 3.74Å; R328-L342 HydrophobicContact CG-CD2 4.04Å; R328-P343 VanDerWaalsContact CZ-CD 3.47Å; R328-I357 HydrophobicContact CB-CG2 4.31Å; R328-E495 IonicContact CZ-OE2 3.2Å; R328-E495 IonicContact NH1-OE2 2.95Å; R328-E495 PolarHBondContact NH1-OE2 3.49Å; R328-E495 IonicContact NH2-OE2 2.66Å; R328-E495 PolarHBondContact NH2-OE2 2.91Å
329	G	97.3	Very high	89.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.3	175.7	0	0	0	0	0	111.9	G338 T359 P360 T361	G329-G338 WeakPolarHBondContact CA-O 3.24Å; G329-T359 PolarHBondContact N-OG1 3.31Å; G329-P360 VanDerWaalsContact O-CD 3.28Å; G329-P360 WeakPolarHBondContact O-CD 3.16Å; G329-T361 VanDerWaalsContact CA-O 3.32Å; G329-T361 WeakPolarHBondContact CA-O 3.34Å; G329-T361 PolarHBondContact O-N 3.1Å; G329-T361 PolarHBondContact O-OG1 3.41Å
330	N	95.4	Very high	89	Confident	26 Å²	26	48.6 Å²	48.6	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-174.1	170.8	67.3	15.4	0	0	0	112	G338 W339 E340 T361 Y493	N330-G338 PolarHBondContact N-O 3.32Å; N330-G338 PolarHBondContact O-N 3.13Å; N330-G338 WeakPolarHBondContact OD1-CA 3.23Å; N330-G338 PolarHBondContact OD1-N 3.28Å; N330-G338 PolarHBondContact OD1-O 2.87Å; N330-G338 VanDerWaalsContact OD1-O 3.13Å; N330-W339 PolarHBondContact OD1-N 3.08Å; N330-E340 HydrophobicContact CB-CG 4.06Å; N330-E340 WeakPolarHBondContact ND2-CB 3.03Å; N330-E340 PolarHBondContact ND2-OE2 3.27Å; N330-T361 WeakPolarHBondContact CA-OG1 3.46Å; N330-T361 PolarHBondContact N-OG1 3.2Å; N330-T361 VanDerWaalsContact N-OG1 3.08Å; N330-T361 PolarHBondContact O-OG1 3.19Å; N330-Y493 HydrophobicContact CB-CE1 3.89Å; N330-Y493 WeakPolarHBondContact CB-OH 3.37Å
331	F	94.1	Very high	89.1	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.022	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.2	167.3	70.4	-78.3	0	0	0	109.7	W333 L335 S336 T361 I392 F396 F485 Y488 L489 Y493	F331-W333 HydrophobicContact CE2-CE3 4.43Å; F331-W333 HydrophobicContact CE2-CZ3 4.44Å; F331-L335 HydrophobicContact CD2-CD2 4.01Å; F331-L335 HydrophobicContact CE2-CD2 4.4Å; F331-S336 VanDerWaalsContact CA-O 3.22Å; F331-S336 WeakPolarHBondContact CA-O 3.24Å; F331-T361 HydrophobicContact CB-CG2 4.3Å; F331-T361 HydrophobicContact CD1-CG2 3.91Å; F331-I392 HydrophobicContact CB-CD1 4.07Å; F331-F396 AromaticContact CD1-CE1 3.85Å; F331-F396 HydrophobicContact CD1-CE1 3.85Å; F331-F396 AromaticContact CD1-CZ 3.98Å; F331-F396 HydrophobicContact CD1-CZ 3.98Å; F331-F396 HydrophobicContact CD2-CZ 4.09Å; F331-F396 AromaticContact CE1-CE1 3.75Å; F331-F396 HydrophobicContact CE1-CE1 3.75Å; F331-F396 AromaticContact CE1-CZ 3.9Å; F331-F396 HydrophobicContact CE1-CZ 3.9Å; F331-F396 HydrophobicContact CE2-CZ 4.03Å; F331-F396 HydrophobicContact CG-CE1 4.38Å; F331-F396 HydrophobicContact CG-CZ 4.1Å; F331-F396 HydrophobicContact CZ-CE1 4.21Å; F331-F396 AromaticContact CZ-CZ 3.94Å; F331-F396 HydrophobicContact CZ-CZ 3.94Å; F331-F485 HydrophobicContact CE2-CZ 4.41Å; F331-F485 HydrophobicContact CZ-CE1 4.43Å; F331-F485 AromaticContact CZ-CZ 3.86Å; F331-F485 HydrophobicContact CZ-CZ 3.86Å; F331-Y488 AromaticContact CE1-CE1 3.92Å; F331-Y488 HydrophobicContact CE1-CE1 3.92Å; F331-Y488 HydrophobicContact CZ-CE1 4.49Å; F331-L489 HydrophobicContact CZ-CD2 4.39Å; F331-Y493 HydrophobicContact CD1-CD1 4.23Å; F331-Y493 HydrophobicContact CD1-CE1 4.2Å; F331-Y493 AromaticContact CE1-CD1 3.82Å; F331-Y493 HydrophobicContact CE1-CD1 3.82Å; F331-Y493 HydrophobicContact CE1-CE1 4.13Å
332	D	87.3	Confident	89.4	Confident	50 Å²	50	47.9 Å²	47.9	27%	0.267	25%	0.253	S	S	.	.			trans	-90.7	169.3	165.7	71.3	16.5	0	0	0	111.3	S334 L335 S336	D332-S334 PolarHBondContact O-N 3.35Å; D332-S334 VanDerWaalsContact O-N 3.09Å; D332-S334 VanDerWaalsContact OD1-C 3.27Å; D332-S334 VanDerWaalsContact OD1-CA 3.25Å; D332-S334 WeakPolarHBondContact OD1-CA 3.48Å; D332-S334 VanDerWaalsContact OD1-CB 3.28Å; D332-S334 WeakPolarHBondContact OD1-CB 3.45Å; D332-S334 PolarHBondContact OD1-N 3.37Å; D332-L335 WeakPolarHBondContact O-CA 3.12Å; D332-L335 PolarHBondContact O-N 3.39Å; D332-L335 PolarHBondContact OD1-N 2.79Å; D332-L335 VanDerWaalsContact OD1-N 3.11Å; D332-S336 PolarHBondContact N-O 3.04Å; D332-S336 WeakPolarHBondContact OD1-CB 3.43Å; D332-S336 PolarHBondContact OD1-N 3.23Å; D332-S336 PolarHBondContact OD1-OG 2.82Å
333	W	88.7	Confident	89.6	Confident	15 Å²	15	38.7 Å²	38.7	6%	0.057	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	5	178.6	-67.3	100.3	0	0	0	114.4	F331 L335 M444 Y447 I450 F451 F485 L489 Y497 V498 P499	F331-W333 HydrophobicContact CE2-CE3 4.43Å; F331-W333 HydrophobicContact CE2-CZ3 4.44Å; W333-L335 VanDerWaalsContact C-N 3.33Å; W333-M444 HydrophobicContact CE3-CE 4.3Å; W333-M444 HydrophobicContact CZ3-CE 3.97Å; W333-Y447 HydrophobicContact CH2-CD1 4.27Å; W333-I450 HydrophobicContact CB-CG2 3.96Å; W333-I450 HydrophobicContact CD2-CG2 3.67Å; W333-I450 HydrophobicContact CE3-CB 3.87Å; W333-I450 HydrophobicContact CE3-CD1 4.18Å; W333-I450 HydrophobicContact CE3-CG2 3.5Å; W333-I450 VanDerWaalsContact CE3-CG2 3.5Å; W333-I450 HydrophobicContact CG-CG2 3.87Å; W333-I450 HydrophobicContact CH2-CD1 4.07Å; W333-I450 HydrophobicContact CZ3-CB 4.23Å; W333-I450 HydrophobicContact CZ3-CD1 3.86Å; W333-I450 HydrophobicContact CZ3-CG2 4.23Å; W333-F451 WeakPolarHBondContact O-CA 3.45Å; W333-F485 HydrophobicContact CH2-CE1 4.33Å; W333-F485 HydrophobicContact CZ3-CE1 4.44Å; W333-L489 HydrophobicContact CH2-CD1 4.36Å; W333-L489 HydrophobicContact CH2-CD2 4.37Å; W333-Y497 PolarHBondContact NE1-O 3.4Å; W333-V498 HydrophobicContact CH2-CG1 4.05Å; W333-V498 HydrophobicContact CZ2-CB 4.14Å; W333-V498 HydrophobicContact CZ2-CG1 3.93Å; W333-V498 HydrophobicContact CZ2-CG2 4.06Å; W333-P499 HydrophobicContact CD2-CG 4.32Å; W333-P499 HydrophobicContact CG-CG 4.03Å
334	S	85.1	Confident	90.6	Very high	24 Å²	24	42.8 Å²	42.8	17%	0.168	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.5	163.3	-56.8	0	0	0	0	111.9	D332 S336 Q436	D332-S334 PolarHBondContact O-N 3.35Å; D332-S334 VanDerWaalsContact O-N 3.09Å; D332-S334 VanDerWaalsContact OD1-C 3.27Å; D332-S334 VanDerWaalsContact OD1-CA 3.25Å; D332-S334 WeakPolarHBondContact OD1-CA 3.48Å; D332-S334 VanDerWaalsContact OD1-CB 3.28Å; D332-S334 WeakPolarHBondContact OD1-CB 3.45Å; D332-S334 PolarHBondContact OD1-N 3.37Å; S334-S336 PolarHBondContact O-N 3.24Å; S334-Q436 PolarHBondContact O-NE2 2.9Å; S334-Q436 VanDerWaalsContact O-NE2 3.15Å
335	L	92.3	Very high	91.7	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.243	C	C	.	.			trans	58.9	32.8	-176.6	-59	176	0	0	0	113.4	F331 D332 W333 F396 Q436 L439 A440 M444 F451	F331-L335 HydrophobicContact CD2-CD2 4.01Å; F331-L335 HydrophobicContact CE2-CD2 4.4Å; D332-L335 WeakPolarHBondContact O-CA 3.12Å; D332-L335 PolarHBondContact O-N 3.39Å; D332-L335 PolarHBondContact OD1-N 2.79Å; D332-L335 VanDerWaalsContact OD1-N 3.11Å; W333-L335 VanDerWaalsContact C-N 3.33Å; L335-F396 HydrophobicContact CD2-CE2 4.41Å; L335-Q436 HydrophobicContact CB-CG 4.15Å; L335-Q436 HydrophobicContact CD1-CB 4.11Å; L335-Q436 PolarHBondContact O-NE2 2.82Å; L335-L439 HydrophobicContact CD1-CD1 4Å; L335-L439 HydrophobicContact CD1-CG 4.46Å; L335-L439 HydrophobicContact CD2-CD1 4.48Å; L335-A440 HydrophobicContact CD1-CB 4.17Å; L335-M444 HydrophobicContact CD1-SD 3.85Å; L335-M444 HydrophobicContact CD2-CE 3.91Å; L335-M444 HydrophobicContact CD2-SD 3.63Å; L335-M444 HydrophobicContact CG-SD 4.3Å; L335-F451 HydrophobicContact CB-CD2 4.36Å; L335-F451 HydrophobicContact CB-CE2 4.29Å; L335-F451 HydrophobicContact CD1-CB 4.3Å; L335-F451 HydrophobicContact CD1-CD1 3.65Å; L335-F451 HydrophobicContact CD1-CD2 3.76Å; L335-F451 HydrophobicContact CD1-CE1 3.81Å; L335-F451 HydrophobicContact CD1-CE2 3.91Å; L335-F451 HydrophobicContact CD1-CG 3.63Å; L335-F451 HydrophobicContact CD1-CZ 3.95Å; L335-F451 HydrophobicContact CG-CB 4.41Å; L335-F451 HydrophobicContact CG-CD1 4.48Å; L335-F451 HydrophobicContact CG-CD2 3.75Å; L335-F451 HydrophobicContact CG-CE2 4.1Å; L335-F451 HydrophobicContact CG-CG 3.97Å
336	S	88.3	Confident	92.4	Very high	54 Å²	54	38.2 Å²	38.2	38%	0.378	21%	0.205	S	C	.	.			trans	-89.3	138.4	169.9	-49.9	0	0	0	0	109.7	F331 D332 S334	F331-S336 VanDerWaalsContact CA-O 3.22Å; F331-S336 WeakPolarHBondContact CA-O 3.24Å; D332-S336 PolarHBondContact N-O 3.04Å; D332-S336 WeakPolarHBondContact OD1-CB 3.43Å; D332-S336 PolarHBondContact OD1-N 3.23Å; D332-S336 PolarHBondContact OD1-OG 2.82Å; S334-S336 PolarHBondContact O-N 3.24Å
337	F	93.1	Very high	92.4	Very high	58 Å²	58	42.2 Å²	42.2	25%	0.254	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	144.5	171.1	174.1	-98.2	0	0	0	111	W339 F362 A363 I392	F337-W339 HydrophobicContact CE1-CD2 4.07Å; F337-W339 AromaticContact CE1-CE2 3.53Å; F337-W339 HydrophobicContact CE1-CG 4.42Å; F337-W339 AromaticContact CE1-CZ2 3.8Å; F337-W339 HydrophobicContact CE1-CZ2 3.8Å; F337-W339 AromaticContact CE1-NE1 3.56Å; F337-W339 AromaticContact CZ-CD2 3.91Å; F337-W339 HydrophobicContact CZ-CD2 3.91Å; F337-W339 AromaticContact CZ-CE2 3.63Å; F337-W339 HydrophobicContact CZ-CE3 4.16Å; F337-W339 AromaticContact CZ-CH2 3.95Å; F337-W339 HydrophobicContact CZ-CH2 3.95Å; F337-W339 AromaticContact CZ-CZ2 3.66Å; F337-W339 HydrophobicContact CZ-CZ2 3.66Å; F337-W339 HydrophobicContact CZ-CZ3 4.19Å; F337-F362 WeakPolarHBondContact CD2-O 3.45Å; F337-F362 WeakPolarHBondContact CE2-O 3.46Å; F337-A363 HydrophobicContact CE1-CB 3.85Å; F337-A363 HydrophobicContact CE2-CB 4.4Å; F337-A363 HydrophobicContact CZ-CB 3.77Å; F337-I392 HydrophobicContact CB-CD1 4.15Å; F337-I392 HydrophobicContact CD2-CD1 4.35Å
338	G	90.4	Very high	92.5	Very high	19 Å²	19	46.7 Å²	46.7	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	-177.8	172.1	0	0	0	0	0	112.7	G329 N330	G329-G338 WeakPolarHBondContact CA-O 3.24Å; N330-G338 PolarHBondContact N-O 3.32Å; N330-G338 PolarHBondContact O-N 3.13Å; N330-G338 WeakPolarHBondContact OD1-CA 3.23Å; N330-G338 PolarHBondContact OD1-N 3.28Å; N330-G338 PolarHBondContact OD1-O 2.87Å; N330-G338 VanDerWaalsContact OD1-O 3.13Å
339	W	92.2	Very high	92.5	Very high	96 Å²	96	50.6 Å²	50.6	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.7	177.7	-65.9	107.1	0	0	0	109.9	I306 N327 R328 N330 F337 A363 I407	I306-W339 HydrophobicContact CD1-CH2 4.47Å; I306-W339 HydrophobicContact CD1-CZ2 4.46Å; N327-W339 HydrophobicContact CB-CB 4.06Å; N327-W339 HydrophobicContact CB-CD2 4.37Å; N327-W339 HydrophobicContact CB-CE3 3.81Å; R328-W339 WeakPolarHBondContact O-CA 3.48Å; N330-W339 PolarHBondContact OD1-N 3.08Å; F337-W339 HydrophobicContact CE1-CD2 4.07Å; F337-W339 AromaticContact CE1-CE2 3.53Å; F337-W339 HydrophobicContact CE1-CG 4.42Å; F337-W339 AromaticContact CE1-CZ2 3.8Å; F337-W339 HydrophobicContact CE1-CZ2 3.8Å; F337-W339 AromaticContact CE1-NE1 3.56Å; F337-W339 AromaticContact CZ-CD2 3.91Å; F337-W339 HydrophobicContact CZ-CD2 3.91Å; F337-W339 AromaticContact CZ-CE2 3.63Å; F337-W339 HydrophobicContact CZ-CE3 4.16Å; F337-W339 AromaticContact CZ-CH2 3.95Å; F337-W339 HydrophobicContact CZ-CH2 3.95Å; F337-W339 AromaticContact CZ-CZ2 3.66Å; F337-W339 HydrophobicContact CZ-CZ2 3.66Å; F337-W339 HydrophobicContact CZ-CZ3 4.19Å; W339-A363 HydrophobicContact CH2-CB 4.44Å; W339-A363 HydrophobicContact CZ2-CB 4.09Å; W339-I407 HydrophobicContact CZ3-CD1 4.05Å
340	E	90.3	Very high	92.5	Very high	43 Å²	43	51.9 Å²	51.9	20%	0.201	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.1	171.3	60.8	176.3	-150.9	0	0	111.7	N327 R328 N330 Y493	N327-E340 CarbonylContact C-O 3.55Å; N327-E340 WeakPolarHBondContact CA-O 3.3Å; R328-E340 HydrophobicContact CG-CG 3.82Å; R328-E340 IonicContact CZ-OE1 3.98Å; R328-E340 PolarHBondContact N-O 2.05Å; R328-E340 IonicContact NE-OE1 3.36Å; R328-E340 PolarHBondContact NE-OE1 2.92Å; R328-E340 IonicContact NH2-OE1 3.66Å; R328-E340 PolarHBondContact NH2-OE1 3.33Å; R328-E340 PolarHBondContact O-N 2.78Å; N330-E340 HydrophobicContact CB-CG 4.06Å; N330-E340 WeakPolarHBondContact ND2-CB 3.03Å; N330-E340 PolarHBondContact ND2-OE2 3.27Å; E340-Y493 WeakPolarHBondContact OE1-CE2 3.4Å; E340-Y493 PolarHBondContact OE1-OH 2.02Å; E340-Y493 PolarHBondContact OE2-OH 3.23Å
341	S	93.4	Very high	92.5	Very high	77 Å²	77	58.7 Å²	58.7	54%	0.538	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	152.5	174.7	-55	0	0	0	0	111.9
342	L	95.2	Very high	92.6	Very high	9 Å²	9	61 Å²	61	5%	0.047	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-63.8	140.4	177.5	-52.1	-172.1	0	0	0	112.3	H326 R328 K347 I357	H326-L342 HydrophobicContact CB-CD1 3.94Å; H326-L342 HydrophobicContact CB-CD2 4.5Å; H326-L342 HydrophobicContact CB-CG 4.12Å; R328-L342 HydrophobicContact CB-CD2 3.74Å; R328-L342 HydrophobicContact CG-CD2 4.04Å; L342-K347 HydrophobicContact CB-CG 3.98Å; L342-K347 WeakPolarHBondContact O-CE 3.36Å; L342-K347 PolarHBondContact O-NZ 2.91Å; L342-I357 HydrophobicContact CD1-CD1 3.94Å; L342-I357 HydrophobicContact CD1-CG1 4.09Å; L342-I357 HydrophobicContact CD1-CG2 4.18Å; L342-I357 HydrophobicContact CD2-CD1 4.46Å; L342-I357 HydrophobicContact CD2-CG2 3.47Å; L342-I357 VanDerWaalsContact CD2-CG2 3.47Å; L342-I357 HydrophobicContact CG-CG2 4.48Å
343	P	92.6	Very high	93.1	Very high	20 Å²	20	59.7 Å²	59.7	13%	0.13	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-72.1	159	171.1	32.4	-36.6	0	0	0	111.3	R328 H345 E346 K347 E495	R328-P343 VanDerWaalsContact CZ-CD 3.47Å; P343-H345 VanDerWaalsContact C-N 3.33Å; P343-H345 WeakPolarHBondContact CG-NE2 3.08Å; P343-H345 PolarHBondContact O-N 2.98Å; P343-E346 HydrophobicContact CG-CB 3.92Å; P343-E346 PolarHBondContact O-N 2.77Å; P343-E346 VanDerWaalsContact O-N 3.13Å; P343-K347 PolarHBondContact O-N 3.35Å; P343-K347 VanDerWaalsContact O-N 3.13Å; P343-E495 HydrophobicContact CB-CG 4.08Å
344	D	92.6	Very high	93.5	Very high	109 Å²	109	60.6 Å²	60.6	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-62.5	-36.5	-172.5	-66.7	-23.9	0	0	0	113.5	E346 K347 Q348	D344-E346 VanDerWaalsContact C-N 3.3Å; D344-E346 PolarHBondContact O-N 3.33Å; D344-K347 PolarHBondContact O-N 3.11Å; D344-K347 IonicContact OD1-NZ 3.93Å; D344-Q348 WeakPolarHBondContact O-CB 3.43Å; D344-Q348 VanDerWaalsContact O-CG 3.22Å; D344-Q348 WeakPolarHBondContact O-CG 3.49Å; D344-Q348 PolarHBondContact O-N 2.97Å
345	H	93.2	Very high	94.1	Very high	98 Å²	98	62.9 Å²	62.9	45%	0.454	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-35.4	178.1	71	86.2	0	0	0	112.1	P343 Q348 R349 E495	P343-H345 VanDerWaalsContact C-N 3.33Å; P343-H345 WeakPolarHBondContact CG-NE2 3.08Å; P343-H345 PolarHBondContact O-N 2.98Å; H345-Q348 PolarHBondContact O-N 2.89Å; H345-R349 WeakPolarHBondContact O-CB 3.18Å; H345-R349 PolarHBondContact O-N 2.69Å; H345-E495 IonicContact CD2-OE1 3.5Å; H345-E495 PolarHBondContact CD2-OE1 3.3Å; H345-E495 IonicContact CE1-OE1 3.72Å; H345-E495 IonicContact NE2-OE1 2.7Å; H345-E495 PolarHBondContact NE2-OE1 3.03Å
346	E	95.7	Very high	94.4	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.028	31%	0.31	C	S	.	.	H	α-helix	trans	-74.1	-37.5	178.2	-177.1	61.6	-175.6	0	0	110.9	P343 D344 Q348 R349 R350 I357 K358	P343-E346 HydrophobicContact CG-CB 3.92Å; P343-E346 PolarHBondContact O-N 2.77Å; P343-E346 VanDerWaalsContact O-N 3.13Å; D344-E346 VanDerWaalsContact C-N 3.3Å; D344-E346 PolarHBondContact O-N 3.33Å; E346-Q348 VanDerWaalsContact C-N 3.33Å; E346-Q348 PolarHBondContact O-N 2.62Å; E346-R349 PolarHBondContact O-N 3.01Å; E346-R349 IonicContact OE1-CZ 2.82Å; E346-R349 IonicContact OE1-NE 3.43Å; E346-R349 IonicContact OE1-NH2 3.63Å; E346-R349 PolarHBondContact OE1-NH2 2.59Å; E346-R349 IonicContact OE2-CZ 2.6Å; E346-R349 IonicContact OE2-NE 2.88Å; E346-R349 PolarHBondContact OE2-NE 3.12Å; E346-R349 IonicContact OE2-NH2 3.89Å; E346-R350 WeakPolarHBondContact O-CG 3.4Å; E346-R350 PolarHBondContact O-N 2.88Å; E346-I357 WeakPolarHBondContact OE1-CA 3.46Å; E346-K358 PolarHBondContact OE1-N 3.08Å
347	K	94.2	Very high	94.9	Very high	100 Å²	100	61 Å²	61	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-42.6	170.6	-66.8	175	-175.6	158	0	111.7	L342 P343 D344	L342-K347 HydrophobicContact CB-CG 3.98Å; L342-K347 WeakPolarHBondContact O-CE 3.36Å; L342-K347 PolarHBondContact O-NZ 2.91Å; P343-K347 PolarHBondContact O-N 3.35Å; P343-K347 VanDerWaalsContact O-N 3.13Å; D344-K347 PolarHBondContact O-N 3.11Å; D344-K347 IonicContact OD1-NZ 3.93Å
348	Q	95.3	Very high	95.2	Very high	159 Å²	159	62 Å²	62	74%	0.743	30%	0.297	S	S	*	.	H	α-helix	trans	-69.8	-32.3	179	-72.1	168.4	15.8	0	0	113	D344 H345 E346	D344-Q348 WeakPolarHBondContact O-CB 3.43Å; D344-Q348 VanDerWaalsContact O-CG 3.22Å; D344-Q348 WeakPolarHBondContact O-CG 3.49Å; D344-Q348 PolarHBondContact O-N 2.97Å; H345-Q348 PolarHBondContact O-N 2.89Å; E346-Q348 VanDerWaalsContact C-N 3.33Å; E346-Q348 PolarHBondContact O-N 2.62Å
349	R	96.8	Very high	95.6	Very high	90 Å²	90	61.1 Å²	61.1	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-68	-36	178.5	-170.8	-167.1	65.2	72.3	0.1	112.2	H345 E346 P356	H345-R349 WeakPolarHBondContact O-CB 3.18Å; H345-R349 PolarHBondContact O-N 2.69Å; E346-R349 PolarHBondContact O-N 3.01Å; E346-R349 IonicContact OE1-CZ 2.82Å; E346-R349 IonicContact OE1-NE 3.43Å; E346-R349 IonicContact OE1-NH2 3.63Å; E346-R349 PolarHBondContact OE1-NH2 2.59Å; E346-R349 IonicContact OE2-CZ 2.6Å; E346-R349 IonicContact OE2-NE 2.88Å; E346-R349 PolarHBondContact OE2-NE 3.12Å; E346-R349 IonicContact OE2-NH2 3.89Å; R349-P356 PolarHBondContact NH2-O 3.04Å
350	R	96.4	Very high	95.9	Very high	27 Å²	27	56.6 Å²	56.6	10%	0.102	27%	0.271	C	S	.	.			trans	-81	125.4	-177.8	-64.9	173.2	66.7	-117.2	-4.7	109.7	E346 E353 Y355	E346-R350 WeakPolarHBondContact O-CG 3.4Å; E346-R350 PolarHBondContact O-N 2.88Å; R350-E353 IonicContact CZ-OE1 3.52Å; R350-E353 IonicContact CZ-OE2 3.67Å; R350-E353 IonicContact NH1-OE1 2.73Å; R350-E353 PolarHBondContact NH1-OE1 2.7Å; R350-E353 IonicContact NH1-OE2 2.84Å; R350-E353 IonicContact NH2-OE1 3.18Å; R350-E353 PolarHBondContact NH2-OE1 3.44Å; R350-E353 VanDerWaalsContact NH2-OE1 3.16Å; R350-E353 IonicContact NH2-OE2 3.86Å; R350-E353 PolarHBondContact NH2-OE2 3.48Å; R350-Y355 PolarHBondContact NE-O 2.81Å
351	K	95.7	Very high	96.3	Very high	169 Å²	169	54.5 Å²	54.5	74%	0.735	26%	0.261	S	S	*	.	S	Bend	trans	-89	-30.7	-179.5	-59.8	-173	-172.1	169.6	0	112.9	Y355	K351-Y355 HydrophobicContact CB-CD2 4.36Å; K351-Y355 HydrophobicContact CB-CE2 3.86Å; K351-Y355 WeakPolarHBondContact CD-OH 3.38Å; K351-Y355 HydrophobicContact CG-CE1 4.33Å; K351-Y355 HydrophobicContact CG-CE2 4.35Å
352	D	96.1	Very high	96.5	Very high	54 Å²	54	51 Å²	51	29%	0.289	24%	0.236	S	C	.	.	S	Bend	trans	-157.2	179.4	-179.5	61	57	0	0	0	109.1	E172 T354 Y355	E172-D352 HydrophobicContact CG-CB 4.08Å; D352-T354 VanDerWaalsContact C-N 3.27Å; D352-T354 PolarHBondContact O-N 2.82Å; D352-T354 WeakPolarHBondContact OD1-CA 3.29Å; D352-T354 VanDerWaalsContact OD1-CB 3.26Å; D352-T354 WeakPolarHBondContact OD1-CB 3.46Å; D352-T354 PolarHBondContact OD1-N 3.23Å; D352-T354 PolarHBondContact OD1-OG1 3.25Å; D352-Y355 PolarHBondContact O-N 3.43Å; D352-Y355 WeakPolarHBondContact OD1-CD2 3.5Å
353	E	97.2	Very high	96.4	Very high	23 Å²	23	51.9 Å²	51.9	11%	0.107	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.9	-174.1	-67.9	-64.1	147.1	0	0	115.1	P170 E172 H326 R350 Y355 P409 C410	P170-E353 HydrophobicContact CB-CB 3.92Å; P170-E353 HydrophobicContact CB-CG 3.98Å; P170-E353 HydrophobicContact CG-CB 3.83Å; P170-E353 HydrophobicContact CG-CG 3.68Å; E172-E353 HydrophobicContact CG-CB 4.11Å; E172-E353 WeakPolarHBondContact OE1-CB 3.19Å; E172-E353 WeakPolarHBondContact OE1-CG 3.29Å; E172-E353 PolarHBondContact OE1-N 3.24Å; H326-E353 IonicContact CD2-OE1 3.62Å; H326-E353 IonicContact CD2-OE2 3.16Å; H326-E353 IonicContact CE1-OE2 3.5Å; H326-E353 PolarHBondContact CE1-OE2 2.89Å; H326-E353 IonicContact NE2-OE1 2.99Å; H326-E353 PolarHBondContact NE2-OE1 3.42Å; H326-E353 IonicContact NE2-OE2 3.18Å; H326-E353 PolarHBondContact NE2-OE2 3.4Å; R350-E353 IonicContact CZ-OE1 3.52Å; R350-E353 IonicContact CZ-OE2 3.67Å; R350-E353 IonicContact NH1-OE1 2.73Å; R350-E353 PolarHBondContact NH1-OE1 2.7Å; R350-E353 IonicContact NH1-OE2 2.84Å; R350-E353 IonicContact NH2-OE1 3.18Å; R350-E353 PolarHBondContact NH2-OE1 3.44Å; R350-E353 VanDerWaalsContact NH2-OE1 3.16Å; R350-E353 IonicContact NH2-OE2 3.86Å; R350-E353 PolarHBondContact NH2-OE2 3.48Å; E353-Y355 PolarHBondContact O-N 3.18Å; E353-P409 WeakPolarHBondContact OE2-CB 3.25Å; E353-P409 WeakPolarHBondContact OE2-CG 3.46Å; E353-C410 PolarHBondContact O-SG 2.92Å; E353-C410 VanDerWaalsContact O-SG 3.34Å
354	T	97.8	Very high	96.3	Very high	34 Å²	34	51 Å²	51	21%	0.209	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.1	171.8	76	0	0	0	0	112.7	E172 Q176 D352	E172-T354 HydrophobicContact CB-CG2 4.12Å; E172-T354 HydrophobicContact CG-CG2 4.01Å; Q176-T354 HydrophobicContact CG-CG2 4.39Å; D352-T354 VanDerWaalsContact C-N 3.27Å; D352-T354 PolarHBondContact O-N 2.82Å; D352-T354 WeakPolarHBondContact OD1-CA 3.29Å; D352-T354 VanDerWaalsContact OD1-CB 3.26Å; D352-T354 WeakPolarHBondContact OD1-CB 3.46Å; D352-T354 PolarHBondContact OD1-N 3.23Å; D352-T354 PolarHBondContact OD1-OG1 3.25Å
355	Y	98.1	Very high	96.2	Very high	71 Å²	71	46.2 Å²	46.2	28%	0.278	22%	0.216	S	C	.	.	S	Bend	trans	-75.6	131.5	178.9	-78.2	-115.4	0	0	0	110.9	R350 K351 D352 E353	R350-Y355 PolarHBondContact NE-O 2.81Å; K351-Y355 HydrophobicContact CB-CD2 4.36Å; K351-Y355 HydrophobicContact CB-CE2 3.86Å; K351-Y355 WeakPolarHBondContact CD-OH 3.38Å; K351-Y355 HydrophobicContact CG-CE1 4.33Å; K351-Y355 HydrophobicContact CG-CE2 4.35Å; D352-Y355 PolarHBondContact O-N 3.43Å; D352-Y355 WeakPolarHBondContact OD1-CD2 3.5Å; E353-Y355 PolarHBondContact O-N 3.18Å
356	P	98.4	Very high	96.5	Very high	17 Å²	17	41.7 Å²	41.7	11%	0.11	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-57.3	147	174.3	22.6	-32.1	0	0	0	110.3	R349 E406 M408	R349-P356 PolarHBondContact NH2-O 3.04Å; P356-E406 HydrophobicContact CB-CB 3.92Å; P356-E406 HydrophobicContact CB-CG 4.02Å; P356-M408 HydrophobicContact CB-SD 3.61Å
357	I	98.6	Very high	96.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.6	166.6	-65	167.7	0	0	0	107.7	H326 R328 L342 E346 T359 E406 I407 P409	H326-I357 HydrophobicContact CB-CD1 3.64Å; R328-I357 HydrophobicContact CB-CG2 4.31Å; L342-I357 HydrophobicContact CD1-CD1 3.94Å; L342-I357 HydrophobicContact CD1-CG1 4.09Å; L342-I357 HydrophobicContact CD1-CG2 4.18Å; L342-I357 HydrophobicContact CD2-CD1 4.46Å; L342-I357 HydrophobicContact CD2-CG2 3.47Å; L342-I357 VanDerWaalsContact CD2-CG2 3.47Å; L342-I357 HydrophobicContact CG-CG2 4.48Å; E346-I357 WeakPolarHBondContact OE1-CA 3.46Å; I357-T359 PolarHBondContact O-N 2.9Å; I357-E406 CarbonylContact O-C 3.58Å; I357-E406 WeakPolarHBondContact O-CA 3.37Å; I357-I407 HydrophobicContact CB-CB 4.24Å; I357-I407 PolarHBondContact N-O 3.39Å; I357-I407 PolarHBondContact O-N 3.06Å; I357-P409 HydrophobicContact CD1-CG 3.65Å; I357-P409 HydrophobicContact CG1-CG 4.03Å
358	K	98.5	Very high	96.9	Very high	80 Å²	80	36.8 Å²	36.8	35%	0.348	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.7	171.3	-70.3	-175.9	176.5	-176	0	110.1	E346 W399	E346-K358 PolarHBondContact OE1-N 3.08Å; K358-W399 HydrophobicContact CB-CH2 4.46Å; K358-W399 HydrophobicContact CD-CH2 4.3Å; K358-W399 HydrophobicContact CG-CH2 4.35Å
359	T	98.7	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.			trans	-121.6	127.4	-175.2	-168.6	0	0	0	0	111.2	G329 I357 T361 W399 L405 I407	G329-T359 PolarHBondContact N-OG1 3.31Å; I357-T359 PolarHBondContact O-N 2.9Å; T359-T361 VanDerWaalsContact C-N 3.3Å; T359-T361 WeakPolarHBondContact CB-O 3.47Å; T359-T361 WeakPolarHBondContact CG2-O 3.47Å; T359-T361 PolarHBondContact O-N 3.27Å; T359-T361 PolarHBondContact OG1-O 3Å; T359-W399 PolarHBondContact O-NE1 2.96Å; T359-L405 HydrophobicContact CG2-CB 4.18Å; T359-L405 HydrophobicContact CG2-CD2 4.13Å; T359-L405 HydrophobicContact CG2-CG 3.84Å; T359-L405 PolarHBondContact N-O 2.97Å; T359-I407 HydrophobicContact CG2-CD1 4.19Å; T359-I407 HydrophobicContact CG2-CG1 3.99Å
360	P	98.5	Very high	97.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.126	C	C	.	.	S	Bend	trans	-54.2	-47.5	175.7	-28.9	34	0	0	0	112.4	G329 W399 Y488 Y493	G329-P360 VanDerWaalsContact O-CD 3.28Å; G329-P360 WeakPolarHBondContact O-CD 3.16Å; P360-W399 VanDerWaalsContact O-CD1 3.32Å; P360-W399 PolarHBondContact O-NE1 2.94Å; P360-Y488 PolarHBondContact O-OH 3.3Å; P360-Y493 HydrophobicContact CB-CD1 3.73Å; P360-Y493 HydrophobicContact CB-CD2 4.36Å; P360-Y493 HydrophobicContact CB-CE1 4.33Å; P360-Y493 HydrophobicContact CB-CG 3.76Å; P360-Y493 HydrophobicContact CG-CD1 4Å; P360-Y493 HydrophobicContact CG-CD2 3.72Å; P360-Y493 HydrophobicContact CG-CE1 4.46Å; P360-Y493 HydrophobicContact CG-CE2 4.21Å; P360-Y493 HydrophobicContact CG-CG 3.61Å
361	T	98.7	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-130.2	168.6	175.5	69.3	0	0	0	0	110.6	G329 N330 F331 T359 I392 S395 F396	G329-T361 VanDerWaalsContact CA-O 3.32Å; G329-T361 WeakPolarHBondContact CA-O 3.34Å; G329-T361 PolarHBondContact O-N 3.1Å; G329-T361 PolarHBondContact O-OG1 3.41Å; N330-T361 WeakPolarHBondContact CA-OG1 3.46Å; N330-T361 PolarHBondContact N-OG1 3.2Å; N330-T361 VanDerWaalsContact N-OG1 3.08Å; N330-T361 PolarHBondContact O-OG1 3.19Å; F331-T361 HydrophobicContact CB-CG2 4.3Å; F331-T361 HydrophobicContact CD1-CG2 3.91Å; T359-T361 VanDerWaalsContact C-N 3.3Å; T359-T361 WeakPolarHBondContact CB-O 3.47Å; T359-T361 WeakPolarHBondContact CG2-O 3.47Å; T359-T361 PolarHBondContact O-N 3.27Å; T359-T361 PolarHBondContact OG1-O 3Å; T361-I392 HydrophobicContact CG2-CD1 3.96Å; T361-S395 VanDerWaalsContact CA-OG 3.31Å; T361-S395 WeakPolarHBondContact CA-OG 3.48Å; T361-F396 HydrophobicContact CG2-CE1 4.37Å
362	F	98.1	Very high	97.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	11%	0.114	C	C	.	.			trans	-125.6	159.3	171.8	75.2	-30.1	0	0	0	110.8	V301 F337 G364 F367 N391 M394 S395 L405	V301-F362 HydrophobicContact CG1-CE2 4.33Å; F337-F362 WeakPolarHBondContact CD2-O 3.45Å; F337-F362 WeakPolarHBondContact CE2-O 3.46Å; F362-G364 PolarHBondContact O-N 3.18Å; F362-F367 HydrophobicContact CD2-CB 4.06Å; F362-F367 HydrophobicContact CD2-CD1 4.34Å; F362-F367 HydrophobicContact CD2-CG 4.24Å; F362-F367 HydrophobicContact CE2-CB 3.89Å; F362-F367 AromaticContact CE2-CD1 3.52Å; F362-F367 HydrophobicContact CE2-CD1 3.52Å; F362-F367 HydrophobicContact CE2-CD2 4.03Å; F362-F367 AromaticContact CE2-CE1 3.94Å; F362-F367 HydrophobicContact CE2-CE1 3.94Å; F362-F367 HydrophobicContact CE2-CE2 4.41Å; F362-F367 AromaticContact CE2-CG 3.56Å; F362-F367 HydrophobicContact CE2-CG 3.56Å; F362-F367 HydrophobicContact CE2-CZ 4.36Å; F362-F367 HydrophobicContact CZ-CD1 4.31Å; F362-F367 HydrophobicContact CZ-CE1 4.31Å; F362-N391 HydrophobicContact CD1-CB 4.3Å; F362-N391 HydrophobicContact CE1-CB 4.06Å; F362-N391 VanDerWaalsContact CE1-O 3.23Å; F362-N391 WeakPolarHBondContact CE1-O 3.45Å; F362-N391 PolarHBondContact O-ND2 2.8Å; F362-M394 HydrophobicContact CE1-CB 4.15Å; F362-M394 HydrophobicContact CE1-CG 4.39Å; F362-M394 HydrophobicContact CZ-CB 4.29Å; F362-M394 HydrophobicContact CZ-CG 4.15Å; F362-M394 HydrophobicContact CZ-SD 3.84Å; F362-S395 VanDerWaalsContact CD1-OG 3.27Å; F362-S395 WeakPolarHBondContact CD1-OG 3.37Å; F362-S395 PolarHBondContact N-OG 3.45Å; F362-L405 HydrophobicContact CB-CD1 4.3Å; F362-L405 HydrophobicContact CB-CD2 3.87Å; F362-L405 HydrophobicContact CB-CG 4.14Å; F362-L405 HydrophobicContact CD1-CD1 4.34Å; F362-L405 HydrophobicContact CD1-CD2 4.01Å; F362-L405 HydrophobicContact CD2-CD1 4.06Å; F362-L405 HydrophobicContact CE2-CD1 4.45Å; F362-L405 HydrophobicContact CG-CD1 4Å; F362-L405 HydrophobicContact CG-CD2 4.03Å; F362-L405 HydrophobicContact CG-CG 4.33Å
363	A	94.3	Very high	97.5	Very high	29 Å²	29	19.7 Å²	19.7	24%	0.24	10%	0.101	C	C	.	.			trans	-63.8	-26.4	178.1	0	0	0	0	0	112.2	I306 F337 W339 G365	I306-A363 HydrophobicContact CD1-CB 3.86Å; F337-A363 HydrophobicContact CE1-CB 3.85Å; F337-A363 HydrophobicContact CE2-CB 4.4Å; F337-A363 HydrophobicContact CZ-CB 3.77Å; W339-A363 HydrophobicContact CH2-CB 4.44Å; W339-A363 HydrophobicContact CZ2-CB 4.09Å; A363-G365 PolarHBondContact O-N 3.14Å
364	G	90	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	82.2	-23.1	176	0	0	0	0	0	114.9	R261 F362 F367	R261-G364 PolarHBondContact NH1-O 2.99Å; R261-G364 PolarHBondContact NH2-O 2.61Å; F362-G364 PolarHBondContact O-N 3.18Å; G364-F367 WeakPolarHBondContact O-CD1 3.3Å; G364-F367 WeakPolarHBondContact O-CE1 3.39Å
365	G	90.9	Very high	97.6	Very high	10 Å²	10	22.7 Å²	22.7	10%	0.103	11%	0.112	C	C	.	.	S	Bend	trans	-60	-47.2	175.7	0	0	0	0	0	113.2	R261 A363	R261-G365 VanDerWaalsContact NH2-CA 3.34Å; R261-G365 PolarHBondContact NH2-O 2.81Å; A363-G365 PolarHBondContact O-N 3.14Å
366	L	98.6	Very high	97.6	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	12%	0.116	C	C	.	.	S	Bend	trans	-126.6	116.2	-171	-66.9	75.9	0	0	0	110.8	F275 L276 P304 I306 V413	F275-L366 VanDerWaalsContact O-CA 3.31Å; F275-L366 WeakPolarHBondContact O-CA 3.27Å; L276-L366 HydrophobicContact CD2-CB 4.16Å; L276-L366 HydrophobicContact CD2-CD2 3.78Å; L276-L366 HydrophobicContact CD2-CG 3.77Å; P304-L366 WeakPolarHBondContact CD-O 3.32Å; P304-L366 HydrophobicContact CG-CB 3.84Å; P304-L366 HydrophobicContact CG-CD2 4.14Å; I306-L366 HydrophobicContact CD1-CB 4.36Å; I306-L366 HydrophobicContact CD1-CD1 4.39Å; L366-V413 HydrophobicContact CD2-CB 3.63Å; L366-V413 HydrophobicContact CD2-CG1 3.36Å; L366-V413 HydrophobicContact CD2-CG2 4.46Å
367	F	98.9	Very high	97.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	161.3	175.4	69	-79.9	0	0	0	112.5	T274 F275 V301 V302 F362 G364 I369 Y380 M394	T274-F367 CarbonylContact C-O 3.47Å; T274-F367 WeakPolarHBondContact CA-O 3.41Å; F275-F367 HydrophobicContact CB-CD1 4.07Å; F275-F367 HydrophobicContact CB-CE1 3.88Å; F275-F367 HydrophobicContact CB-CZ 4.45Å; F275-F367 HydrophobicContact CD2-CD1 4.14Å; F275-F367 HydrophobicContact CD2-CD2 4.17Å; F275-F367 AromaticContact CD2-CE1 3.52Å; F275-F367 HydrophobicContact CD2-CE1 3.52Å; F275-F367 AromaticContact CD2-CE2 3.56Å; F275-F367 HydrophobicContact CD2-CE2 3.56Å; F275-F367 HydrophobicContact CD2-CG 4.44Å; F275-F367 AromaticContact CD2-CZ 3.2Å; F275-F367 HydrophobicContact CD2-CZ 3.2Å; F275-F367 HydrophobicContact CE2-CE1 4.31Å; F275-F367 AromaticContact CE2-CE2 3.84Å; F275-F367 HydrophobicContact CE2-CE2 3.84Å; F275-F367 AromaticContact CE2-CZ 3.58Å; F275-F367 HydrophobicContact CE2-CZ 3.58Å; F275-F367 HydrophobicContact CG-CD1 4.48Å; F275-F367 AromaticContact CG-CE1 3.89Å; F275-F367 HydrophobicContact CG-CE1 3.89Å; F275-F367 HydrophobicContact CG-CZ 4Å; F275-F367 PolarHBondContact N-O 3.49Å; F275-F367 PolarHBondContact O-N 2.79Å; V301-F367 HydrophobicContact CG1-CD2 3.68Å; V301-F367 HydrophobicContact CG1-CE2 4.21Å; V301-F367 HydrophobicContact CG1-CG 4.45Å; V302-F367 CarbonylContact O-C 3.53Å; V302-F367 VanDerWaalsContact O-CA 3.31Å; V302-F367 WeakPolarHBondContact O-CA 3.31Å; V302-F367 WeakPolarHBondContact O-CB 3.45Å; F362-F367 HydrophobicContact CD2-CB 4.06Å; F362-F367 HydrophobicContact CD2-CD1 4.34Å; F362-F367 HydrophobicContact CD2-CG 4.24Å; F362-F367 HydrophobicContact CE2-CB 3.89Å; F362-F367 AromaticContact CE2-CD1 3.52Å; F362-F367 HydrophobicContact CE2-CD1 3.52Å; F362-F367 HydrophobicContact CE2-CD2 4.03Å; F362-F367 AromaticContact CE2-CE1 3.94Å; F362-F367 HydrophobicContact CE2-CE1 3.94Å; F362-F367 HydrophobicContact CE2-CE2 4.41Å; F362-F367 AromaticContact CE2-CG 3.56Å; F362-F367 HydrophobicContact CE2-CG 3.56Å; F362-F367 HydrophobicContact CE2-CZ 4.36Å; F362-F367 HydrophobicContact CZ-CD1 4.31Å; F362-F367 HydrophobicContact CZ-CE1 4.31Å; G364-F367 WeakPolarHBondContact O-CD1 3.3Å; G364-F367 WeakPolarHBondContact O-CE1 3.39Å; F367-I369 HydrophobicContact CD2-CB 4.27Å; F367-I369 HydrophobicContact CD2-CG2 4.26Å; F367-I369 HydrophobicContact CE2-CB 4.17Å; F367-I369 HydrophobicContact CE2-CG2 3.78Å; F367-Y380 WeakPolarHBondContact CE1-OH 3.41Å; F367-Y380 WeakPolarHBondContact CZ-OH 3.3Å; F367-M394 HydrophobicContact CE2-CE 3.86Å; F367-M394 HydrophobicContact CE2-SD 4.4Å; F367-M394 HydrophobicContact CZ-CE 4.18Å; F367-M394 HydrophobicContact CZ-SD 4.16Å
368	S	98.9	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.1	168	-57.4	0	0	0	0	111.6	L273 T274 V302	L273-S368 CarbonylContact O-C 3.56Å; L273-S368 WeakPolarHBondContact O-CA 3.41Å; T274-S368 WeakPolarHBondContact CB-OG 3.43Å; T274-S368 WeakPolarHBondContact CG2-OG 3.45Å; T274-S368 PolarHBondContact OG1-OG 2.7Å; V302-S368 PolarHBondContact N-O 3.18Å; V302-S368 PolarHBondContact O-N 2.83Å
369	I	98.9	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.9	177.8	-170.5	170.1	0	0	0	110.1	T272 L273 F275 V301 F367 K371 Y373 F374 M394	T272-I369 CarbonylContact C-O 3.53Å; T272-I369 VanDerWaalsContact CA-O 3.29Å; T272-I369 WeakPolarHBondContact CA-O 3.38Å; T272-I369 WeakPolarHBondContact CB-O 3.49Å; L273-I369 HydrophobicContact CB-CG2 4.14Å; L273-I369 PolarHBondContact N-O 3.33Å; L273-I369 PolarHBondContact O-N 2.88Å; F275-I369 HydrophobicContact CE2-CG2 4.32Å; V301-I369 HydrophobicContact CB-CD1 4.49Å; V301-I369 HydrophobicContact CG1-CB 4.43Å; V301-I369 HydrophobicContact CG1-CD1 4.35Å; V301-I369 HydrophobicContact CG2-CD1 3.49Å; V301-I369 VanDerWaalsContact CG2-CD1 3.49Å; V301-I369 HydrophobicContact CG2-CG1 3.9Å; F367-I369 HydrophobicContact CD2-CB 4.27Å; F367-I369 HydrophobicContact CD2-CG2 4.26Å; F367-I369 HydrophobicContact CE2-CB 4.17Å; F367-I369 HydrophobicContact CE2-CG2 3.78Å; I369-K371 PolarHBondContact O-N 3.19Å; I369-Y373 HydrophobicContact CD1-CD1 3.91Å; I369-Y373 HydrophobicContact CD1-CE1 4.5Å; I369-Y373 HydrophobicContact CG1-CD1 4.03Å; I369-F374 HydrophobicContact CD1-CB 3.95Å; I369-F374 HydrophobicContact CD1-CD2 4.12Å; I369-F374 HydrophobicContact CG1-CB 4.28Å; I369-F374 HydrophobicContact CG2-CB 3.92Å; I369-F374 HydrophobicContact CG2-CD2 4.11Å; I369-F374 HydrophobicContact CG2-CG 4.27Å; I369-M394 HydrophobicContact CD1-CE 3.69Å
370	S	98.9	Very high	97.5	Very high	12 Å²	12	20.5 Å²	20.5	8%	0.084	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	132.4	166.2	162.9	0	0	0	0	110.1	E372 Y373 F374	S370-E372 VanDerWaalsContact C-N 3.33Å; S370-E372 PolarHBondContact O-N 3.08Å; S370-E372 PolarHBondContact OG-N 3.35Å; S370-Y373 PolarHBondContact O-N 3.21Å; S370-Y373 PolarHBondContact OG-N 2.9Å; S370-F374 WeakPolarHBondContact O-CB 3.37Å; S370-F374 PolarHBondContact O-N 3.42Å
371	K	98.7	Very high	97.4	Very high	43 Å²	43	20.8 Å²	20.8	19%	0.187	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-45.5	178.2	-176.7	-178	178.1	-169.9	0	110.8	A268 E271 L273 I369 Y373 F374 E375	A268-K371 PolarHBondContact O-NZ 2.76Å; E271-K371 WeakPolarHBondContact O-CB 3.18Å; E271-K371 PolarHBondContact O-N 3.36Å; L273-K371 HydrophobicContact CD1-CG 4.28Å; L273-K371 HydrophobicContact CD2-CB 4.19Å; L273-K371 HydrophobicContact CD2-CD 4.28Å; L273-K371 HydrophobicContact CD2-CG 4.08Å; L273-K371 HydrophobicContact CG-CB 4.02Å; L273-K371 HydrophobicContact CG-CG 4.17Å; I369-K371 PolarHBondContact O-N 3.19Å; K371-Y373 VanDerWaalsContact C-N 3.31Å; K371-Y373 PolarHBondContact O-N 3.27Å; K371-F374 WeakPolarHBondContact O-CB 3.12Å; K371-F374 PolarHBondContact O-N 3.19Å; K371-E375 WeakPolarHBondContact CE-OE1 3.25Å; K371-E375 IonicContact NZ-OE1 3.16Å; K371-E375 WeakPolarHBondContact O-CG 3.37Å; K371-E375 PolarHBondContact O-N 2.7Å
372	E	98.4	Very high	97.3	Very high	83 Å²	83	26 Å²	26	39%	0.388	13%	0.131	S	C	.	.	H	α-helix	trans	-59.2	-43.8	176.2	-175.5	-175	173.1	0	0	111	S370 E375 Y376	S370-E372 VanDerWaalsContact C-N 3.33Å; S370-E372 PolarHBondContact O-N 3.08Å; S370-E372 PolarHBondContact OG-N 3.35Å; E372-E375 PolarHBondContact O-N 3.33Å; E372-Y376 VanDerWaalsContact O-CB 3.26Å; E372-Y376 WeakPolarHBondContact O-CB 3.49Å; E372-Y376 PolarHBondContact O-N 2.7Å
373	Y	98.6	Very high	97.2	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-69	-38.4	178.2	-171.9	-119.4	0	0	0	112.4	Y298 T299 V301 I369 S370 K371 E375 Y376 I377 G403	Y298-Y373 HydrophobicContact CD2-CD2 4.49Å; Y298-Y373 HydrophobicContact CE2-CD2 4.18Å; Y298-Y373 WeakPolarHBondContact O-CB 3.5Å; T299-Y373 HydrophobicContact CG2-CD2 4.04Å; T299-Y373 HydrophobicContact CG2-CE2 3.78Å; T299-Y373 VanDerWaalsContact O-CE1 3.29Å; T299-Y373 WeakPolarHBondContact O-CE1 3.11Å; V301-Y373 HydrophobicContact CG2-CD1 4.42Å; V301-Y373 HydrophobicContact CG2-CE1 4.1Å; I369-Y373 HydrophobicContact CD1-CD1 3.91Å; I369-Y373 HydrophobicContact CD1-CE1 4.5Å; I369-Y373 HydrophobicContact CG1-CD1 4.03Å; S370-Y373 PolarHBondContact O-N 3.21Å; S370-Y373 PolarHBondContact OG-N 2.9Å; K371-Y373 VanDerWaalsContact C-N 3.31Å; K371-Y373 PolarHBondContact O-N 3.27Å; Y373-E375 VanDerWaalsContact C-N 3.31Å; Y373-E375 PolarHBondContact O-N 2.73Å; Y373-Y376 AromaticContact CD2-CD1 3.99Å; Y373-Y376 HydrophobicContact CD2-CD1 3.99Å; Y373-Y376 AromaticContact CE2-CD1 3.98Å; Y373-Y376 HydrophobicContact CE2-CD1 3.98Å; Y373-Y376 HydrophobicContact CE2-CE1 4.46Å; Y373-Y376 PolarHBondContact O-N 2.93Å; Y373-I377 HydrophobicContact CE1-CB 4.49Å; Y373-I377 HydrophobicContact CE2-CB 4.33Å; Y373-I377 HydrophobicContact CE2-CD1 4.3Å; Y373-I377 VanDerWaalsContact O-CB 3.29Å; Y373-I377 WeakPolarHBondContact O-CB 3.26Å; Y373-I377 WeakPolarHBondContact O-CG2 3.22Å; Y373-I377 PolarHBondContact O-N 3.13Å; Y373-G403 WeakPolarHBondContact OH-CA 3.38Å; Y373-G403 PolarHBondContact OH-N 2.58Å
374	F	98.7	Very high	97.3	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-42.8	174.9	-179.7	-106.6	0	0	0	111.6	L262 A265 L273 F275 I369 S370 K371 S379 Y380 M394	L262-F374 HydrophobicContact CD2-CE1 4.13Å; L262-F374 HydrophobicContact CD2-CZ 4.02Å; A265-F374 HydrophobicContact CB-CD1 4.38Å; A265-F374 HydrophobicContact CB-CE1 3.84Å; L273-F374 HydrophobicContact CD1-CB 4.25Å; L273-F374 HydrophobicContact CD1-CD1 3.66Å; L273-F374 HydrophobicContact CD1-CE1 4.18Å; L273-F374 HydrophobicContact CD1-CG 4.01Å; F275-F374 HydrophobicContact CZ-CZ 4.38Å; I369-F374 HydrophobicContact CD1-CB 3.95Å; I369-F374 HydrophobicContact CD1-CD2 4.12Å; I369-F374 HydrophobicContact CG1-CB 4.28Å; I369-F374 HydrophobicContact CG2-CB 3.92Å; I369-F374 HydrophobicContact CG2-CD2 4.11Å; I369-F374 HydrophobicContact CG2-CG 4.27Å; S370-F374 WeakPolarHBondContact O-CB 3.37Å; S370-F374 PolarHBondContact O-N 3.42Å; K371-F374 WeakPolarHBondContact O-CB 3.12Å; K371-F374 PolarHBondContact O-N 3.19Å; F374-S379 VanDerWaalsContact CE1-CB 3.45Å; F374-S379 WeakPolarHBondContact O-CA 3.02Å; F374-S379 PolarHBondContact O-N 2.86Å; F374-Y380 HydrophobicContact CE2-CD2 4.12Å; F374-Y380 HydrophobicContact CE2-CE2 4.07Å; F374-Y380 AromaticContact CZ-CD2 3.88Å; F374-Y380 HydrophobicContact CZ-CD2 3.88Å; F374-Y380 HydrophobicContact CZ-CE2 4.11Å; F374-M394 HydrophobicContact CD2-CE 4.07Å; F374-M394 HydrophobicContact CE2-CE 4.26Å
375	E	98.2	Very high	97.3	Very high	115 Å²	115	31.8 Å²	31.8	54%	0.537	15%	0.153	S	C	.	.	H	α-helix	trans	-68.7	-48.5	174.6	-68.7	171.1	-177.1	0	0	111.4	K371 E372 Y373 I377 G378	K371-E375 WeakPolarHBondContact CE-OE1 3.25Å; K371-E375 IonicContact NZ-OE1 3.16Å; K371-E375 WeakPolarHBondContact O-CG 3.37Å; K371-E375 PolarHBondContact O-N 2.7Å; E372-E375 PolarHBondContact O-N 3.33Å; Y373-E375 VanDerWaalsContact C-N 3.31Å; Y373-E375 PolarHBondContact O-N 2.73Å; E375-I377 VanDerWaalsContact C-N 3.33Å; E375-I377 PolarHBondContact O-N 3.26Å; E375-G378 PolarHBondContact O-N 2.7Å
376	Y	98.1	Very high	97.3	Very high	92 Å²	92	32.1 Å²	32.1	36%	0.361	15%	0.153	S	C	.	.	H	α-helix	trans	-56.4	-44.5	-178.9	174.3	-98.6	0	0	0	113.2	P85 E372 Y373 G378 R479 L480	P85-Y376 HydrophobicContact CB-CE1 4.24Å; P85-Y376 HydrophobicContact CG-CD1 4.48Å; P85-Y376 HydrophobicContact CG-CE1 3.73Å; E372-Y376 VanDerWaalsContact O-CB 3.26Å; E372-Y376 WeakPolarHBondContact O-CB 3.49Å; E372-Y376 PolarHBondContact O-N 2.7Å; Y373-Y376 AromaticContact CD2-CD1 3.99Å; Y373-Y376 HydrophobicContact CD2-CD1 3.99Å; Y373-Y376 AromaticContact CE2-CD1 3.98Å; Y373-Y376 HydrophobicContact CE2-CD1 3.98Å; Y373-Y376 HydrophobicContact CE2-CE1 4.46Å; Y373-Y376 PolarHBondContact O-N 2.93Å; Y376-G378 PolarHBondContact O-N 3.05Å; Y376-R479 PolarHBondContact O-NH2 2.81Å; Y376-R479 VanDerWaalsContact O-NH2 3.12Å; Y376-L480 HydrophobicContact CD1-CD2 4.28Å; Y376-L480 HydrophobicContact CE1-CD2 3.55Å; Y376-L480 HydrophobicContact CE2-CD2 3.95Å; Y376-L480 WeakPolarHBondContact OH-CD2 3.33Å
377	I	97.6	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	3.1	-178.6	-154.3	60.2	0	0	0	112.2	Y373 E375 R397 C401 L480	Y373-I377 HydrophobicContact CE1-CB 4.49Å; Y373-I377 HydrophobicContact CE2-CB 4.33Å; Y373-I377 HydrophobicContact CE2-CD1 4.3Å; Y373-I377 VanDerWaalsContact O-CB 3.29Å; Y373-I377 WeakPolarHBondContact O-CB 3.26Å; Y373-I377 WeakPolarHBondContact O-CG2 3.22Å; Y373-I377 PolarHBondContact O-N 3.13Å; E375-I377 VanDerWaalsContact C-N 3.33Å; E375-I377 PolarHBondContact O-N 3.26Å; I377-R397 HydrophobicContact CG1-CG 4.26Å; I377-R397 WeakPolarHBondContact O-CD 3.28Å; I377-R397 PolarHBondContact O-NH1 3.49Å; I377-C401 HydrophobicContact CD1-CB 3.5Å; I377-L480 HydrophobicContact CD1-CD1 3.73Å
378	G	97.6	Very high	96.6	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	32.5	174	0	0	0	0	0	114.6	E375 Y376 Y380 R473	E375-G378 PolarHBondContact O-N 2.7Å; Y376-G378 PolarHBondContact O-N 3.05Å; G378-Y380 PolarHBondContact O-N 3.49Å; G378-R473 PolarHBondContact O-NH1 3.25Å
379	S	97.8	Very high	96.4	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	18%	0.177	C	C	.	.			trans	41.7	-112.8	172.6	67.3	0	0	0	0	114.2	F374 R397	F374-S379 VanDerWaalsContact CE1-CB 3.45Å; F374-S379 WeakPolarHBondContact O-CA 3.02Å; F374-S379 PolarHBondContact O-N 2.86Å; S379-R397 PolarHBondContact O-NH1 3.37Å; S379-R397 PolarHBondContact O-NH2 2.97Å
380	Y	98.2	Very high	96.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	18%	0.178	C	C	.	.	S	Bend	trans	-118.4	165.7	167.1	-77.3	-68	0	0	0	110.7	I258 R261 L262 F367 F374 G378 E382 E390 M394 R473	I258-Y380 HydrophobicContact CG2-CD2 4.38Å; I258-Y380 HydrophobicContact CG2-CG 3.99Å; R261-Y380 HydrophobicContact CB-CE2 4.29Å; R261-Y380 PolarHBondContact NH1-OH 3.06Å; R261-Y380 VanDerWaalsContact NH1-OH 3.1Å; L262-Y380 HydrophobicContact CD2-CD2 4.26Å; L262-Y380 HydrophobicContact CG-CD2 4.48Å; F367-Y380 WeakPolarHBondContact CE1-OH 3.41Å; F367-Y380 WeakPolarHBondContact CZ-OH 3.3Å; F374-Y380 HydrophobicContact CE2-CD2 4.12Å; F374-Y380 HydrophobicContact CE2-CE2 4.07Å; F374-Y380 AromaticContact CZ-CD2 3.88Å; F374-Y380 HydrophobicContact CZ-CD2 3.88Å; F374-Y380 HydrophobicContact CZ-CE2 4.11Å; G378-Y380 PolarHBondContact O-N 3.49Å; Y380-E382 PolarHBondContact O-N 3.16Å; Y380-E390 HydrophobicContact CD1-CB 4.04Å; Y380-E390 HydrophobicContact CD1-CG 4.39Å; Y380-E390 HydrophobicContact CE1-CB 3.99Å; Y380-E390 HydrophobicContact CE1-CG 3.9Å; Y380-M394 HydrophobicContact CD1-SD 4.47Å; Y380-M394 HydrophobicContact CE1-CB 4.27Å; Y380-M394 HydrophobicContact CE1-SD 3.72Å; Y380-R473 PolarHBondContact O-NH1 2.98Å
381	D	97.9	Very high	96.3	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	18%	0.177	C	C	.	.			trans	-74.6	103.2	166	-177.9	13.4	0	0	0	110.1	E383 M384 R438 R473	D381-E383 PolarHBondContact O-N 3.25Å; D381-E383 VanDerWaalsContact O-N 3.08Å; D381-E383 PolarHBondContact OD1-N 3.3Å; D381-M384 HydrophobicContact CB-CE 4.34Å; D381-M384 HydrophobicContact CB-CG 3.99Å; D381-M384 HydrophobicContact CB-SD 4.27Å; D381-M384 WeakPolarHBondContact O-CB 3.34Å; D381-M384 PolarHBondContact O-N 3.14Å; D381-R438 VanDerWaalsContact CG-NH2 3.31Å; D381-R438 IonicContact OD1-CZ 3.56Å; D381-R438 IonicContact OD1-NE 2.71Å; D381-R438 IonicContact OD1-NH2 3.65Å; D381-R438 PolarHBondContact OD1-NH2 2.87Å; D381-R438 IonicContact OD2-CZ 3.72Å; D381-R438 VanDerWaalsContact OD2-CZ 3.24Å; D381-R438 IonicContact OD2-NE 3.78Å; D381-R438 PolarHBondContact OD2-NE 3.33Å; D381-R438 IonicContact OD2-NH2 2.84Å; D381-R438 PolarHBondContact OD2-NH2 3.36Å; D381-R473 HydrophobicContact CB-CG 4.47Å
382	E	95.3	Very high	96.3	Very high	110 Å²	110	36.3 Å²	36.3	51%	0.514	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.9	-176.7	-67.1	167.9	-170.5	0	0	114.2	L262 Y380 K472	L262-E382 HydrophobicContact CD1-CG 3.74Å; Y380-E382 PolarHBondContact O-N 3.16Å; E382-K472 IonicContact OE2-NZ 3.68Å
383	E	96.4	Very high	96.3	Very high	100 Å²	100	32.5 Å²	32.5	47%	0.467	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1	-178.2	-64.1	-65.2	142.7	0	0	113	D381 R434 R438	D381-E383 PolarHBondContact O-N 3.25Å; D381-E383 VanDerWaalsContact O-N 3.08Å; D381-E383 PolarHBondContact OD1-N 3.3Å; E383-R434 PolarHBondContact O-NH1 3.3Å; E383-R434 PolarHBondContact O-NH2 2.88Å; E383-R434 VanDerWaalsContact O-NH2 3.12Å; E383-R438 VanDerWaalsContact CB-NH2 3.31Å
384	M	96	Very high	96.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	15%	0.15	C	C	.	.			trans	-75.6	134.6	167.6	-73.1	-173.3	174.6	0	0	110.1	I258 D381 E390 E393 N435 R438 L439	I258-M384 HydrophobicContact CD1-CB 3.22Å; I258-M384 HydrophobicContact CD1-CG 4.23Å; I258-M384 HydrophobicContact CD1-SD 4.05Å; D381-M384 HydrophobicContact CB-CE 4.34Å; D381-M384 HydrophobicContact CB-CG 3.99Å; D381-M384 HydrophobicContact CB-SD 4.27Å; D381-M384 WeakPolarHBondContact O-CB 3.34Å; D381-M384 PolarHBondContact O-N 3.14Å; M384-E390 HydrophobicContact SD-CB 3.99Å; M384-E393 HydrophobicContact CE-CB 3.79Å; M384-E393 HydrophobicContact CE-CG 3.77Å; M384-N435 VanDerWaalsContact CA-OD1 3.31Å; M384-N435 WeakPolarHBondContact CA-OD1 3.32Å; M384-N435 HydrophobicContact CB-CB 4.42Å; M384-N435 HydrophobicContact CE-CB 4.46Å; M384-N435 WeakPolarHBondContact CE-O 3.19Å; M384-N435 HydrophobicContact CG-CB 4.03Å; M384-N435 HydrophobicContact SD-CB 4.24Å; M384-R438 HydrophobicContact CE-CB 4.47Å; M384-L439 HydrophobicContact CE-CB 3.99Å
385	E	91.8	Very high	96.3	Very high	49 Å²	49	32.1 Å²	32.1	23%	0.229	15%	0.149	C	C	.	.			trans	-109.3	147.5	-170.7	-62.9	169.4	108.1	0	0	111.7	W387 K427 V431 R434 N435	E385-W387 PolarHBondContact O-N 2.64Å; E385-K427 IonicContact OE1-NZ 2.66Å; E385-K427 PolarHBondContact OE1-NZ 3.19Å; E385-V431 HydrophobicContact CB-CG1 3.66Å; E385-V431 WeakPolarHBondContact O-CG1 3.47Å; E385-R434 IonicContact OE2-CZ 3.56Å; E385-R434 IonicContact OE2-NE 3.88Å; E385-R434 IonicContact OE2-NH1 3.24Å; E385-R434 PolarHBondContact OE2-NH1 2.91Å; E385-N435 PolarHBondContact N-OD1 2.93Å; E385-N435 PolarHBondContact O-ND2 3.06Å
386	I	90.3	Very high	96.4	Very high	18 Å²	18	26.7 Å²	26.7	9%	0.092	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	59.9	-81.8	172.6	-51.8	-52.3	0	0	0	113.9	G256 L257 F425 V431	G256-I386 CarbonylContact C-O 3.55Å; G256-I386 WeakPolarHBondContact CA-O 3.43Å; L257-I386 PolarHBondContact N-O 3.08Å; I386-F425 HydrophobicContact CG2-CD1 3.97Å; I386-F425 HydrophobicContact CG2-CE1 3.95Å; I386-V431 HydrophobicContact CB-CG1 4.21Å; I386-V431 HydrophobicContact CG1-CG1 4.34Å
387	W	91.9	Very high	96.4	Very high	124 Å²	124	22.3 Å²	22.3	47%	0.47	11%	0.106	S	C	.	.	S	Bend	trans	-168.4	150.7	-174.8	178.3	80.6	0	0	0	110.2	E385 F425 I432	E385-W387 PolarHBondContact O-N 2.64Å; W387-F425 HydrophobicContact CE3-CZ 4.5Å; W387-I432 HydrophobicContact CE3-CD1 4.26Å; W387-I432 HydrophobicContact CZ3-CD1 4.19Å
388	G	90.6	Very high	96.4	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	108.5	132.1	167.9	0	0	0	0	0	112.3	E390 N435	G388-E390 VanDerWaalsContact C-N 3.31Å; G388-E390 VanDerWaalsContact CA-OE2 3.32Å; G388-E390 WeakPolarHBondContact CA-OE2 3.28Å; G388-E390 PolarHBondContact N-OE2 3.28Å; G388-E390 PolarHBondContact O-N 2.69Å; G388-N435 WeakPolarHBondContact O-CB 3.28Å; G388-N435 PolarHBondContact O-ND2 2.77Å
389	G	94.6	Very high	96.5	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	11%	0.105	C	C	.	.	S	Bend	trans	88.2	-20.5	177.8	0	0	0	0	0	114.6	N391 I392 E393 L439	G389-N391 VanDerWaalsContact C-N 3.28Å; G389-N391 PolarHBondContact O-N 3.49Å; G389-I392 PolarHBondContact O-N 2.78Å; G389-E393 WeakPolarHBondContact O-CB 3.5Å; G389-E393 PolarHBondContact O-N 3.02Å; G389-L439 WeakPolarHBondContact O-CD2 2.89Å
390	E	97.6	Very high	96.6	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-32.5	-176.4	79.6	-67.9	167.4	0	0	113	I258 Y380 M384 G388 M394	I258-E390 HydrophobicContact CD1-CB 3.66Å; I258-E390 HydrophobicContact CD1-CG 4.2Å; I258-E390 HydrophobicContact CG1-CB 3.92Å; I258-E390 HydrophobicContact CG1-CG 3.98Å; Y380-E390 HydrophobicContact CD1-CB 4.04Å; Y380-E390 HydrophobicContact CD1-CG 4.39Å; Y380-E390 HydrophobicContact CE1-CB 3.99Å; Y380-E390 HydrophobicContact CE1-CG 3.9Å; M384-E390 HydrophobicContact SD-CB 3.99Å; G388-E390 VanDerWaalsContact C-N 3.31Å; G388-E390 VanDerWaalsContact CA-OE2 3.32Å; G388-E390 WeakPolarHBondContact CA-OE2 3.28Å; G388-E390 PolarHBondContact N-OE2 3.28Å; G388-E390 PolarHBondContact O-N 2.69Å; E390-M394 VanDerWaalsContact O-CB 3.27Å; E390-M394 WeakPolarHBondContact O-CB 3.39Å; E390-M394 PolarHBondContact O-N 3.33Å
391	N	97.9	Very high	96.6	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.064	10%	0.101	C	C	.	.	H	α-helix	trans	-69.9	-39.3	176.7	67	-49.5	0	0	0	111.4	F362 G389 S395	F362-N391 HydrophobicContact CD1-CB 4.3Å; F362-N391 HydrophobicContact CE1-CB 4.06Å; F362-N391 VanDerWaalsContact CE1-O 3.23Å; F362-N391 WeakPolarHBondContact CE1-O 3.45Å; F362-N391 PolarHBondContact O-ND2 2.8Å; G389-N391 VanDerWaalsContact C-N 3.28Å; G389-N391 PolarHBondContact O-N 3.49Å; N391-S395 WeakPolarHBondContact O-CB 3.27Å; N391-S395 PolarHBondContact O-N 3.45Å; N391-S395 PolarHBondContact O-OG 3.17Å
392	I	98.6	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-71	-43.5	175.5	-56.4	-55.5	0	0	0	110.7	F331 F337 T361 G389 M394 S395 F396 L439	F331-I392 HydrophobicContact CB-CD1 4.07Å; F337-I392 HydrophobicContact CB-CD1 4.15Å; F337-I392 HydrophobicContact CD2-CD1 4.35Å; T361-I392 HydrophobicContact CG2-CD1 3.96Å; G389-I392 PolarHBondContact O-N 2.78Å; I392-M394 PolarHBondContact O-N 3.03Å; I392-S395 WeakPolarHBondContact O-CB 3.25Å; I392-S395 PolarHBondContact O-N 2.87Å; I392-F396 HydrophobicContact CG2-CD1 4.46Å; I392-F396 HydrophobicContact CG2-CD2 4.09Å; I392-F396 HydrophobicContact CG2-CE1 3.93Å; I392-F396 HydrophobicContact CG2-CE2 3.52Å; I392-F396 HydrophobicContact CG2-CZ 3.43Å; I392-F396 VanDerWaalsContact CG2-CZ 3.43Å; I392-F396 WeakPolarHBondContact O-CG 3.14Å; I392-F396 PolarHBondContact O-N 2.92Å; I392-L439 HydrophobicContact CB-CD2 4.13Å; I392-L439 HydrophobicContact CG2-CD1 4.08Å; I392-L439 HydrophobicContact CG2-CD2 4.31Å
393	E	98.8	Very high	96.7	Very high	3 Å²	3	18.3 Å²	18.3	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-56.5	-49.4	175.7	-170.3	-80.4	162.2	0	0	111.8	M384 G389 S395 F396 R397 L439 W443 R473	M384-E393 HydrophobicContact CE-CB 3.79Å; M384-E393 HydrophobicContact CE-CG 3.77Å; G389-E393 WeakPolarHBondContact O-CB 3.5Å; G389-E393 PolarHBondContact O-N 3.02Å; E393-S395 VanDerWaalsContact C-N 3.31Å; E393-S395 PolarHBondContact O-N 3.32Å; E393-F396 PolarHBondContact O-N 3.35Å; E393-R397 VanDerWaalsContact O-CB 3.27Å; E393-R397 WeakPolarHBondContact O-CB 3.21Å; E393-R397 PolarHBondContact O-N 3.1Å; E393-R397 IonicContact OE1-NE 2.81Å; E393-R397 PolarHBondContact OE1-NE 3.39Å; E393-R397 VanDerWaalsContact OE1-NE 3.12Å; E393-R397 IonicContact OE2-CZ 3.61Å; E393-R397 IonicContact OE2-NE 3.71Å; E393-R397 PolarHBondContact OE2-NE 3.03Å; E393-R397 VanDerWaalsContact OE2-NE 3.09Å; E393-R397 IonicContact OE2-NH2 2.76Å; E393-R397 PolarHBondContact OE2-NH2 2.72Å; E393-L439 HydrophobicContact CB-CB 3.64Å; E393-L439 HydrophobicContact CB-CD2 4.22Å; E393-L439 HydrophobicContact CB-CG 4.49Å; E393-L439 HydrophobicContact CG-CB 3.71Å; E393-W443 PolarHBondContact OE1-NE1 2.87Å; E393-R473 IonicContact OE1-CZ 2.73Å; E393-R473 IonicContact OE1-NE 3.14Å; E393-R473 IonicContact OE1-NH2 2.79Å; E393-R473 PolarHBondContact OE1-NH2 3.15Å; E393-R473 IonicContact OE2-NH2 3.26Å
394	M	98.8	Very high	96.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.3	-35.7	-179.9	-174.4	168.7	-178.2	0	0	110.9	V301 F362 F367 I369 F374 Y380 E390 I392 V398	V301-M394 HydrophobicContact CG1-CE 4.32Å; F362-M394 HydrophobicContact CE1-CB 4.15Å; F362-M394 HydrophobicContact CE1-CG 4.39Å; F362-M394 HydrophobicContact CZ-CB 4.29Å; F362-M394 HydrophobicContact CZ-CG 4.15Å; F362-M394 HydrophobicContact CZ-SD 3.84Å; F367-M394 HydrophobicContact CE2-CE 3.86Å; F367-M394 HydrophobicContact CE2-SD 4.4Å; F367-M394 HydrophobicContact CZ-CE 4.18Å; F367-M394 HydrophobicContact CZ-SD 4.16Å; I369-M394 HydrophobicContact CD1-CE 3.69Å; F374-M394 HydrophobicContact CD2-CE 4.07Å; F374-M394 HydrophobicContact CE2-CE 4.26Å; Y380-M394 HydrophobicContact CD1-SD 4.47Å; Y380-M394 HydrophobicContact CE1-CB 4.27Å; Y380-M394 HydrophobicContact CE1-SD 3.72Å; E390-M394 VanDerWaalsContact O-CB 3.27Å; E390-M394 WeakPolarHBondContact O-CB 3.39Å; E390-M394 PolarHBondContact O-N 3.33Å; I392-M394 PolarHBondContact O-N 3.03Å; M394-V398 HydrophobicContact CE-CG2 4.45Å; M394-V398 HydrophobicContact CG-CG2 4.04Å; M394-V398 VanDerWaalsContact O-CB 3.3Å; M394-V398 WeakPolarHBondContact O-CB 3.29Å; M394-V398 WeakPolarHBondContact O-CG2 3.21Å; M394-V398 PolarHBondContact O-N 3.18Å
395	S	98.9	Very high	96.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-51.7	176.1	-60.9	0	0	0	0	111.8	T361 F362 N391 I392 E393 V398 W399 L405	T361-S395 VanDerWaalsContact CA-OG 3.31Å; T361-S395 WeakPolarHBondContact CA-OG 3.48Å; F362-S395 VanDerWaalsContact CD1-OG 3.27Å; F362-S395 WeakPolarHBondContact CD1-OG 3.37Å; F362-S395 PolarHBondContact N-OG 3.45Å; N391-S395 WeakPolarHBondContact O-CB 3.27Å; N391-S395 PolarHBondContact O-N 3.45Å; N391-S395 PolarHBondContact O-OG 3.17Å; I392-S395 WeakPolarHBondContact O-CB 3.25Å; I392-S395 PolarHBondContact O-N 2.87Å; E393-S395 VanDerWaalsContact C-N 3.31Å; E393-S395 PolarHBondContact O-N 3.32Å; S395-V398 PolarHBondContact O-N 3.15Å; S395-W399 PolarHBondContact O-N 2.86Å; S395-L405 WeakPolarHBondContact OG-CD2 3.39Å
396	F	98.8	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.5	-48.2	179.2	-67.5	-10.1	0	0	0	111.1	F331 L335 T361 I392 E393 W399 Q400 L439 W443 M444 F485 Y488	F331-F396 AromaticContact CD1-CE1 3.85Å; F331-F396 HydrophobicContact CD1-CE1 3.85Å; F331-F396 AromaticContact CD1-CZ 3.98Å; F331-F396 HydrophobicContact CD1-CZ 3.98Å; F331-F396 HydrophobicContact CD2-CZ 4.09Å; F331-F396 AromaticContact CE1-CE1 3.75Å; F331-F396 HydrophobicContact CE1-CE1 3.75Å; F331-F396 AromaticContact CE1-CZ 3.9Å; F331-F396 HydrophobicContact CE1-CZ 3.9Å; F331-F396 HydrophobicContact CE2-CZ 4.03Å; F331-F396 HydrophobicContact CG-CE1 4.38Å; F331-F396 HydrophobicContact CG-CZ 4.1Å; F331-F396 HydrophobicContact CZ-CE1 4.21Å; F331-F396 AromaticContact CZ-CZ 3.94Å; F331-F396 HydrophobicContact CZ-CZ 3.94Å; L335-F396 HydrophobicContact CD2-CE2 4.41Å; T361-F396 HydrophobicContact CG2-CE1 4.37Å; I392-F396 HydrophobicContact CG2-CD1 4.46Å; I392-F396 HydrophobicContact CG2-CD2 4.09Å; I392-F396 HydrophobicContact CG2-CE1 3.93Å; I392-F396 HydrophobicContact CG2-CE2 3.52Å; I392-F396 HydrophobicContact CG2-CZ 3.43Å; I392-F396 VanDerWaalsContact CG2-CZ 3.43Å; I392-F396 WeakPolarHBondContact O-CG 3.14Å; I392-F396 PolarHBondContact O-N 2.92Å; E393-F396 PolarHBondContact O-N 3.35Å; F396-W399 PolarHBondContact O-N 2.74Å; F396-Q400 WeakPolarHBondContact O-CB 3.37Å; F396-Q400 VanDerWaalsContact O-CG 3.27Å; F396-Q400 WeakPolarHBondContact O-CG 3.37Å; F396-Q400 PolarHBondContact O-N 3.12Å; F396-Q400 PolarHBondContact O-OE1 3.14Å; F396-L439 HydrophobicContact CD2-CD1 3.95Å; F396-L439 HydrophobicContact CE2-CD1 3.8Å; F396-W443 HydrophobicContact CB-CB 3.97Å; F396-W443 HydrophobicContact CB-CG 4.24Å; F396-W443 HydrophobicContact CD2-CB 4.06Å; F396-M444 HydrophobicContact CD2-CG 4.27Å; F396-M444 HydrophobicContact CE2-CG 3.87Å; F396-M444 HydrophobicContact CE2-SD 4.21Å; F396-F485 AromaticContact CD1-CE2 3.94Å; F396-F485 HydrophobicContact CD1-CE2 3.94Å; F396-F485 AromaticContact CD2-CE2 3.72Å; F396-F485 HydrophobicContact CD2-CE2 3.72Å; F396-F485 HydrophobicContact CD2-CZ 4.43Å; F396-F485 AromaticContact CE1-CE2 3.87Å; F396-F485 HydrophobicContact CE1-CE2 3.87Å; F396-F485 HydrophobicContact CE1-CZ 4.09Å; F396-F485 AromaticContact CE2-CE2 3.63Å; F396-F485 HydrophobicContact CE2-CE2 3.63Å; F396-F485 AromaticContact CE2-CZ 3.88Å; F396-F485 HydrophobicContact CE2-CZ 3.88Å; F396-F485 AromaticContact CG-CE2 3.89Å; F396-F485 HydrophobicContact CG-CE2 3.89Å; F396-F485 AromaticContact CZ-CE2 3.71Å; F396-F485 HydrophobicContact CZ-CE2 3.71Å; F396-F485 AromaticContact CZ-CZ 3.69Å; F396-F485 HydrophobicContact CZ-CZ 3.69Å; F396-Y488 AromaticContact CD1-CE1 3.96Å; F396-Y488 HydrophobicContact CD1-CE1 3.96Å; F396-Y488 HydrophobicContact CD1-CE2 4.08Å; F396-Y488 AromaticContact CD1-CZ 3.68Å; F396-Y488 AromaticContact CE1-CE1 3.78Å; F396-Y488 HydrophobicContact CE1-CE1 3.78Å; F396-Y488 AromaticContact CE1-CZ 3.77Å
397	R	98.8	Very high	97.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.3	-49.6	178.2	175.6	164.8	47.5	95.1	2.3	112.8	I377 S379 E393 W399 Q400 C401 W443 R473	I377-R397 HydrophobicContact CG1-CG 4.26Å; I377-R397 WeakPolarHBondContact O-CD 3.28Å; I377-R397 PolarHBondContact O-NH1 3.49Å; S379-R397 PolarHBondContact O-NH1 3.37Å; S379-R397 PolarHBondContact O-NH2 2.97Å; E393-R397 VanDerWaalsContact O-CB 3.27Å; E393-R397 WeakPolarHBondContact O-CB 3.21Å; E393-R397 PolarHBondContact O-N 3.1Å; E393-R397 IonicContact OE1-NE 2.81Å; E393-R397 PolarHBondContact OE1-NE 3.39Å; E393-R397 VanDerWaalsContact OE1-NE 3.12Å; E393-R397 IonicContact OE2-CZ 3.61Å; E393-R397 IonicContact OE2-NE 3.71Å; E393-R397 PolarHBondContact OE2-NE 3.03Å; E393-R397 VanDerWaalsContact OE2-NE 3.09Å; E393-R397 IonicContact OE2-NH2 2.76Å; E393-R397 PolarHBondContact OE2-NH2 2.72Å; R397-W399 VanDerWaalsContact C-N 3.34Å; R397-W399 PolarHBondContact O-N 3.43Å; R397-Q400 PolarHBondContact O-N 3.09Å; R397-C401 WeakPolarHBondContact O-CB 3.48Å; R397-C401 PolarHBondContact O-N 2.74Å; R397-C401 PolarHBondContact O-SG 2.92Å; R397-W443 HydrophobicContact CB-CD2 4.21Å; R397-W443 HydrophobicContact CB-CE3 4.37Å; R397-W443 HydrophobicContact CB-CH2 3.83Å; R397-W443 HydrophobicContact CB-CZ2 3.64Å; R397-W443 HydrophobicContact CB-CZ3 4.17Å; R397-W443 VanDerWaalsContact CD-CZ2 3.47Å; R397-W443 HydrophobicContact CG-CH2 3.58Å; R397-W443 HydrophobicContact CG-CZ2 3.58Å; R397-W443 HydrophobicContact CG-CZ3 4.28Å; R397-R473 VanDerWaalsContact CD-NH2 3.31Å
398	V	98.8	Very high	98	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.5	-49.6	-179.4	166	0	0	0	0	110.1	V301 M394 S395 G402 G403	V301-V398 HydrophobicContact CG2-CG1 3.92Å; V301-V398 HydrophobicContact CG2-CG2 3.86Å; M394-V398 HydrophobicContact CE-CG2 4.45Å; M394-V398 HydrophobicContact CG-CG2 4.04Å; M394-V398 VanDerWaalsContact O-CB 3.3Å; M394-V398 WeakPolarHBondContact O-CB 3.29Å; M394-V398 WeakPolarHBondContact O-CG2 3.21Å; M394-V398 PolarHBondContact O-N 3.18Å; S395-V398 PolarHBondContact O-N 3.15Å; V398-G402 PolarHBondContact O-N 3.43Å; V398-G403 VanDerWaalsContact O-CA 3.29Å; V398-G403 WeakPolarHBondContact O-CA 3.33Å; V398-G403 PolarHBondContact O-N 2.83Å
399	W	98.8	Very high	98.3	Very high	12 Å²	12	7.7 Å²	7.7	5%	0.045	5%	0.05	C	C	.	.	H	α-helix	trans	-67.3	-50.1	180	-81.3	120	0	0	0	113.2	K358 T359 P360 S395 F396 R397 C401 G402 Q404 L405 W487 Y488 I492	K358-W399 HydrophobicContact CB-CH2 4.46Å; K358-W399 HydrophobicContact CD-CH2 4.3Å; K358-W399 HydrophobicContact CG-CH2 4.35Å; T359-W399 PolarHBondContact O-NE1 2.96Å; P360-W399 VanDerWaalsContact O-CD1 3.32Å; P360-W399 PolarHBondContact O-NE1 2.94Å; S395-W399 PolarHBondContact O-N 2.86Å; F396-W399 PolarHBondContact O-N 2.74Å; R397-W399 VanDerWaalsContact C-N 3.34Å; R397-W399 PolarHBondContact O-N 3.43Å; W399-C401 PolarHBondContact O-N 2.79Å; W399-G402 PolarHBondContact O-N 2.96Å; W399-Q404 HydrophobicContact CH2-CB 4.19Å; W399-Q404 HydrophobicContact CH2-CG 4.36Å; W399-Q404 HydrophobicContact CZ3-CB 4.23Å; W399-Q404 HydrophobicContact CZ3-CG 4.04Å; W399-L405 HydrophobicContact CZ2-CB 4.02Å; W399-L405 WeakPolarHBondContact CZ2-O 3.41Å; W399-W487 WeakPolarHBondContact O-CZ3 3.46Å; W399-Y488 HydrophobicContact CB-CD2 3.76Å; W399-Y488 HydrophobicContact CB-CE2 3.89Å; W399-Y488 AromaticContact CD1-CE2 3.75Å; W399-Y488 HydrophobicContact CG-CD2 4.3Å; W399-Y488 HydrophobicContact CG-CE2 4.01Å; W399-I492 HydrophobicContact CB-CG1 4.15Å; W399-I492 HydrophobicContact CD2-CB 4.47Å; W399-I492 HydrophobicContact CD2-CD1 3.78Å; W399-I492 HydrophobicContact CD2-CG1 3.95Å; W399-I492 HydrophobicContact CD2-CG2 3.68Å; W399-I492 HydrophobicContact CE3-CD1 3.32Å; W399-I492 HydrophobicContact CE3-CG1 3.98Å; W399-I492 HydrophobicContact CE3-CG2 4.36Å; W399-I492 HydrophobicContact CG-CD1 4.41Å; W399-I492 HydrophobicContact CG-CG1 4.07Å; W399-I492 HydrophobicContact CG-CG2 3.78Å; W399-I492 HydrophobicContact CH2-CD1 4.35Å; W399-I492 HydrophobicContact CZ2-CG2 4.17Å; W399-I492 HydrophobicContact CZ3-CD1 3.65Å
400	Q	98.8	Very high	98.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.9	-31.3	-177.5	-73	177.2	-93.8	0	0	111.9	F396 R397 W443 C482 K483 N484	F396-Q400 WeakPolarHBondContact O-CB 3.37Å; F396-Q400 VanDerWaalsContact O-CG 3.27Å; F396-Q400 WeakPolarHBondContact O-CG 3.37Å; F396-Q400 PolarHBondContact O-N 3.12Å; F396-Q400 PolarHBondContact O-OE1 3.14Å; R397-Q400 PolarHBondContact O-N 3.09Å; Q400-W443 HydrophobicContact CB-CE3 4.37Å; Q400-W443 HydrophobicContact CB-CZ3 4.37Å; Q400-W443 PolarHBondContact NE2-O 2.84Å; Q400-W443 VanDerWaalsContact NE2-O 3.15Å; Q400-W443 PolarHBondContact OE1-O 2.84Å; Q400-C482 HydrophobicContact CB-CB 4.22Å; Q400-C482 CarbonylContact O-C 3.1Å; Q400-C482 VanDerWaalsContact O-CA 3.27Å; Q400-C482 WeakPolarHBondContact O-CA 3.33Å; Q400-K483 WeakPolarHBondContact CB-O 3.29Å; Q400-K483 WeakPolarHBondContact CG-O 3.38Å; Q400-K483 PolarHBondContact NE2-O 3.35Å; Q400-K483 PolarHBondContact O-N 3.09Å; Q400-N484 VanDerWaalsContact NE2-C 3.33Å
401	C	98.6	Very high	98.6	Very high	12 Å²	12	7.3 Å²	7.3	8%	0.081	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	15.7	-178.9	-53.4	0	0	0	0	113.9	I377 R397 W399 W443 L480 C482	I377-C401 HydrophobicContact CD1-CB 3.5Å; R397-C401 WeakPolarHBondContact O-CB 3.48Å; R397-C401 PolarHBondContact O-N 2.74Å; R397-C401 PolarHBondContact O-SG 2.92Å; W399-C401 PolarHBondContact O-N 2.79Å; C401-W443 VanDerWaalsContact SG-CH2 3.58Å; C401-W443 VanDerWaalsContact SG-CZ3 3.56Å; C401-L480 HydrophobicContact CB-CB 4.34Å; C401-L480 HydrophobicContact CB-CD1 4.25Å; C401-C482 HydrophobicContact CB-CB 4.02Å; C401-C482 WeakPolarHBondContact CB-SG 3.39Å; C401-C482 WeakPolarHBondContact SG-CB 3.14Å; C401-C482 CovalentContact SG-SG 2.03Å; C401-C482 PolarHBondContact SG-SG 3.33Å
402	G	97.4	Very high	98.6	Very high	38 Å²	38	6.9 Å²	6.9	39%	0.392	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	5.1	167.2	0	0	0	0	0	116.5	V398 W399	V398-G402 PolarHBondContact O-N 3.43Å; W399-G402 PolarHBondContact O-N 2.96Å
403	G	98.3	Very high	98.6	Very high	4 Å²	4	6.9 Å²	6.9	4%	0.041	5%	0.045	C	C	.	.			trans	-81.4	-173.5	171.7	0	0	0	0	0	113.6	T299 Y373 V398	T299-G403 WeakPolarHBondContact O-CA 3.21Å; Y373-G403 WeakPolarHBondContact OH-CA 3.38Å; Y373-G403 PolarHBondContact OH-N 2.58Å; V398-G403 VanDerWaalsContact O-CA 3.29Å; V398-G403 WeakPolarHBondContact O-CA 3.33Å; V398-G403 PolarHBondContact O-N 2.83Å
404	Q	98.4	Very high	98.6	Very high	52 Å²	52	6.8 Å²	6.8	24%	0.243	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.7	175.1	-64.1	-178.8	-9.2	0	0	109.7	N297 T299 A300 V301 W399 E406	N297-Q404 PolarHBondContact ND2-OE1 2.92Å; N297-Q404 VanDerWaalsContact ND2-OE1 3.12Å; T299-Q404 PolarHBondContact O-N 3.24Å; A300-Q404 WeakPolarHBondContact CA-O 3.41Å; V301-Q404 PolarHBondContact N-O 3.42Å; W399-Q404 HydrophobicContact CH2-CB 4.19Å; W399-Q404 HydrophobicContact CH2-CG 4.36Å; W399-Q404 HydrophobicContact CZ3-CB 4.23Å; W399-Q404 HydrophobicContact CZ3-CG 4.04Å; Q404-E406 HydrophobicContact CB-CG 4.35Å; Q404-E406 PolarHBondContact OE1-OE1 3Å; Q404-E406 VanDerWaalsContact OE1-OE1 3.14Å
405	L	98.8	Very high	98.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.8	173.7	-158.8	66.4	0	0	0	108.6	V301 T359 F362 S395 W399	V301-L405 HydrophobicContact CB-CD1 3.66Å; V301-L405 HydrophobicContact CG1-CD1 3.72Å; V301-L405 WeakPolarHBondContact O-CA 3.36Å; T359-L405 HydrophobicContact CG2-CB 4.18Å; T359-L405 HydrophobicContact CG2-CD2 4.13Å; T359-L405 HydrophobicContact CG2-CG 3.84Å; T359-L405 PolarHBondContact N-O 2.97Å; F362-L405 HydrophobicContact CB-CD1 4.3Å; F362-L405 HydrophobicContact CB-CD2 3.87Å; F362-L405 HydrophobicContact CB-CG 4.14Å; F362-L405 HydrophobicContact CD1-CD1 4.34Å; F362-L405 HydrophobicContact CD1-CD2 4.01Å; F362-L405 HydrophobicContact CD2-CD1 4.06Å; F362-L405 HydrophobicContact CE2-CD1 4.45Å; F362-L405 HydrophobicContact CG-CD1 4Å; F362-L405 HydrophobicContact CG-CD2 4.03Å; F362-L405 HydrophobicContact CG-CG 4.33Å; S395-L405 WeakPolarHBondContact OG-CD2 3.39Å; W399-L405 HydrophobicContact CZ2-CB 4.02Å; W399-L405 WeakPolarHBondContact CZ2-O 3.41Å
406	E	98.9	Very high	98.6	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.009	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.9	-169.2	-63	176.3	158.2	0	0	112.1	R293 V301 V302 S303 P356 I357 Q404	R293-E406 WeakPolarHBondContact CG-OE2 3.3Å; R293-E406 IonicContact CZ-OE1 3.57Å; R293-E406 IonicContact CZ-OE2 2.72Å; R293-E406 IonicContact NE-OE1 3.52Å; R293-E406 IonicContact NE-OE2 2.78Å; R293-E406 PolarHBondContact NE-OE2 3.01Å; R293-E406 IonicContact NH2-OE1 2.79Å; R293-E406 PolarHBondContact NH2-OE1 2.8Å; R293-E406 IonicContact NH2-OE2 2.73Å; R293-E406 PolarHBondContact NH2-OE2 2.86Å; V301-E406 PolarHBondContact O-N 2.94Å; V302-E406 CarbonylContact C-O 3.52Å; V302-E406 WeakPolarHBondContact CA-O 3.23Å; V302-E406 HydrophobicContact CG1-CB 4.35Å; S303-E406 PolarHBondContact N-O 2.78Å; P356-E406 HydrophobicContact CB-CB 3.92Å; P356-E406 HydrophobicContact CB-CG 4.02Å; I357-E406 CarbonylContact O-C 3.58Å; I357-E406 WeakPolarHBondContact O-CA 3.37Å; Q404-E406 HydrophobicContact CB-CG 4.35Å; Q404-E406 PolarHBondContact OE1-OE1 3Å; Q404-E406 VanDerWaalsContact OE1-OE1 3.14Å
407	I	98.8	Very high	98.3	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.026	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.5	168.5	-62.7	164.3	0	0	0	107.7	S303 D305 W339 I357 T359 P409	S303-I407 CarbonylContact O-C 3.58Å; S303-I407 WeakPolarHBondContact O-CA 3.13Å; D305-I407 HydrophobicContact CB-CG2 4.21Å; W339-I407 HydrophobicContact CZ3-CD1 4.05Å; I357-I407 HydrophobicContact CB-CB 4.24Å; I357-I407 PolarHBondContact N-O 3.39Å; I357-I407 PolarHBondContact O-N 3.06Å; T359-I407 HydrophobicContact CG2-CD1 4.19Å; T359-I407 HydrophobicContact CG2-CG1 3.99Å; I407-P409 WeakPolarHBondContact O-CD 3.44Å
408	M	98.6	Very high	97.7	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.03	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	104.4	177.7	-62.9	-54.1	-62.1	0	0	109.9	P289 L290 R293 V302 S303 P356 C410 S411	P289-M408 HydrophobicContact CB-CB 4.44Å; P289-M408 HydrophobicContact CB-CE 4.44Å; L290-M408 HydrophobicContact CD2-CB 3.9Å; L290-M408 HydrophobicContact CD2-CG 3.82Å; R293-M408 HydrophobicContact CB-CE 4.37Å; R293-M408 HydrophobicContact CB-SD 4.17Å; R293-M408 HydrophobicContact CG-SD 4.05Å; V302-M408 HydrophobicContact CB-CG 4.27Å; S303-M408 PolarHBondContact O-N 3.46Å; P356-M408 HydrophobicContact CB-SD 3.61Å; M408-C410 VanDerWaalsContact C-N 3.28Å; M408-C410 PolarHBondContact O-N 2.71Å; M408-S411 WeakPolarHBondContact O-CA 3.32Å; M408-S411 WeakPolarHBondContact O-CB 3.43Å; M408-S411 PolarHBondContact O-N 2.81Å
409	P	98.2	Very high	96.6	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.039	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-30.8	-175.6	-25.4	37.2	0	0	0	114.3	E353 I357 I407 S411	E353-P409 WeakPolarHBondContact OE2-CB 3.25Å; E353-P409 WeakPolarHBondContact OE2-CG 3.46Å; I357-P409 HydrophobicContact CD1-CG 3.65Å; I357-P409 HydrophobicContact CG1-CG 4.03Å; I407-P409 WeakPolarHBondContact O-CD 3.44Å; P409-S411 PolarHBondContact O-N 2.82Å
410	C	98.4	Very high	95.4	Very high	1 Å²	1	26 Å²	26	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-16.9	173.9	-61.6	0	0	0	0	113.4	R169 C173 P289 E353 M408	R169-C410 WeakPolarHBondContact CD-O 3.49Å; R169-C410 PolarHBondContact NH1-O 2.85Å; C173-C410 WeakPolarHBondContact CA-SG 3.22Å; C173-C410 HydrophobicContact CB-CB 3.53Å; C173-C410 WeakPolarHBondContact CB-SG 3.08Å; C173-C410 WeakPolarHBondContact SG-CA 3.37Å; C173-C410 WeakPolarHBondContact SG-CB 3.31Å; C173-C410 CovalentContact SG-SG 2.04Å; C173-C410 PolarHBondContact SG-SG 2.76Å; P289-C410 HydrophobicContact CB-CB 4.31Å; P289-C410 HydrophobicContact CG-CB 3.95Å; E353-C410 PolarHBondContact O-SG 2.92Å; E353-C410 VanDerWaalsContact O-SG 3.34Å; M408-C410 VanDerWaalsContact C-N 3.28Å; M408-C410 PolarHBondContact O-N 2.71Å
411	S	98.8	Very high	94.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.9	174.1	-179.5	0	0	0	0	109.4	W286 L290 P304 D305 M408 P409	W286-S411 WeakPolarHBondContact O-CB 3.19Å; W286-S411 PolarHBondContact O-OG 2.84Å; L290-S411 WeakPolarHBondContact CD1-OG 3.21Å; L290-S411 WeakPolarHBondContact CG-OG 3.38Å; P304-S411 CarbonylContact C-O 3.56Å; P304-S411 VanDerWaalsContact CA-O 3.28Å; P304-S411 WeakPolarHBondContact CA-O 3.36Å; P304-S411 WeakPolarHBondContact CB-O 3.32Å; P304-S411 WeakPolarHBondContact CB-OG 3.28Å; D305-S411 PolarHBondContact N-O 3.43Å; M408-S411 WeakPolarHBondContact O-CA 3.32Å; M408-S411 WeakPolarHBondContact O-CB 3.43Å; M408-S411 PolarHBondContact O-N 2.81Å; P409-S411 PolarHBondContact O-N 2.82Å
412	V	98.7	Very high	93.1	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.2	-179	-178.7	0	0	0	0	109.9	R169 F283 D305 A307 F316 P319	R169-V412 HydrophobicContact CG-CG2 4.41Å; F283-V412 HydrophobicContact CB-CB 3.79Å; F283-V412 HydrophobicContact CB-CG1 4.13Å; F283-V412 WeakPolarHBondContact CB-O 3.39Å; F283-V412 HydrophobicContact CD1-CB 4.49Å; F283-V412 HydrophobicContact CG-CB 4.31Å; F283-V412 HydrophobicContact CG-CG1 4.47Å; F283-V412 PolarHBondContact N-O 2.99Å; D305-V412 WeakPolarHBondContact O-CA 3.48Å; A307-V412 HydrophobicContact CB-CG1 3.87Å; F316-V412 HydrophobicContact CE1-CG1 4.43Å; F316-V412 HydrophobicContact CZ-CG1 4.25Å; P319-V412 HydrophobicContact CB-CG2 4.21Å; P319-V412 HydrophobicContact CG-CG2 4.21Å
413	V	98.9	Very high	92.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.4	173.3	-175.9	0	0	0	0	108.9	L276 C280 W286 P304 D305 I306 A307 L366	L276-V413 HydrophobicContact CD2-CG1 4.25Å; C280-V413 HydrophobicContact CB-CG1 3.97Å; W286-V413 HydrophobicContact CB-CG2 4.27Å; W286-V413 HydrophobicContact CD2-CG2 3.96Å; W286-V413 HydrophobicContact CE3-CG2 3.41Å; W286-V413 VanDerWaalsContact CE3-CG2 3.41Å; W286-V413 HydrophobicContact CG-CG2 4.33Å; W286-V413 HydrophobicContact CZ3-CG2 4.06Å; P304-V413 HydrophobicContact CB-CB 4.15Å; P304-V413 HydrophobicContact CB-CG2 3.76Å; P304-V413 HydrophobicContact CG-CB 4.04Å; P304-V413 HydrophobicContact CG-CG2 3.87Å; D305-V413 PolarHBondContact O-N 2.75Å; I306-V413 CarbonylContact C-O 3.59Å; I306-V413 WeakPolarHBondContact CA-O 3.46Å; A307-V413 PolarHBondContact N-O 3.17Å; L366-V413 HydrophobicContact CD2-CB 3.63Å; L366-V413 HydrophobicContact CD2-CG1 3.36Å; L366-V413 HydrophobicContact CD2-CG2 4.46Å
414	G	98.6	Very high	90.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	142.9	173.8	0	0	0	0	0	111.4	C280 E281 A307 F316	C280-G414 CarbonylContact C-O 3.51Å; C280-G414 WeakPolarHBondContact CA-O 3.45Å; C280-G414 WeakPolarHBondContact CB-O 3.5Å; E281-G414 PolarHBondContact N-O 2.89Å; E281-G414 PolarHBondContact O-N 2.59Å; A307-G414 CarbonylContact O-C 3.45Å; A307-G414 VanDerWaalsContact O-CA 3.29Å; A307-G414 WeakPolarHBondContact O-CA 3.22Å; F316-G414 VanDerWaalsContact CE2-CA 3.41Å
415	H	98.6	Very high	89.7	Confident	20 Å²	20	34.6 Å²	34.6	9%	0.093	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.3	177.5	171.6	-89.5	0	0	0	110.2	D277 H279 I306 A307 I309 F417	D277-H415 IonicContact OD2-CD2 2.69Å; D277-H415 IonicContact OD2-NE2 3.76Å; H279-H415 AromaticContact CD2-CD2 3.82Å; H279-H415 AromaticContact CD2-NE2 3.48Å; H279-H415 PolarHBondContact CD2-NE2 2.72Å; H279-H415 AromaticContact NE2-NE2 3.26Å; H279-H415 PolarHBondContact NE2-NE2 2.73Å; I306-H415 HydrophobicContact CG2-CB 3.67Å; A307-H415 PolarHBondContact O-N 2.81Å; I309-H415 PolarHBondContact N-O 3.46Å; H415-F417 HydrophobicContact CB-CE2 4.18Å; H415-F417 HydrophobicContact CB-CZ 4.37Å; H415-F417 AromaticContact CE1-CD1 3.9Å; H415-F417 AromaticContact ND1-CD1 3.47Å; H415-F417 WeakPolarHBondContact ND1-CD1 3.31Å; H415-F417 AromaticContact ND1-CD2 3.77Å; H415-F417 AromaticContact ND1-CE1 3.58Å; H415-F417 AromaticContact ND1-CE2 3.88Å; H415-F417 AromaticContact ND1-CG 3.57Å; H415-F417 AromaticContact ND1-CZ 3.8Å; H415-F417 WeakPolarHBondContact O-CD2 3.4Å; H415-F417 PolarHBondContact O-N 2.82Å; H415-F417 VanDerWaalsContact O-N 3.08Å
416	V	98.3	Very high	88.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	93.4	174.5	-176.4	0	0	0	0	109.8	F150 H279 I309 L311 F314 R418	F150-V416 HydrophobicContact CB-CG1 4.03Å; F150-V416 HydrophobicContact CD1-CG1 4.28Å; F150-V416 HydrophobicContact CG-CG1 4.22Å; H279-V416 HydrophobicContact CB-CB 4.25Å; H279-V416 HydrophobicContact CB-CG2 4.22Å; H279-V416 PolarHBondContact O-N 3.48Å; H279-V416 VanDerWaalsContact O-N 3.15Å; I309-V416 HydrophobicContact CB-CG2 3.91Å; I309-V416 HydrophobicContact CD1-CG2 4.36Å; I309-V416 HydrophobicContact CG2-CG2 3.84Å; L311-V416 HydrophobicContact CB-CG1 4.06Å; F314-V416 HydrophobicContact CE1-CG2 3.97Å; F314-V416 HydrophobicContact CZ-CG2 4.41Å; V416-R418 PolarHBondContact O-N 2.78Å
417	F	92.1	Very high	86.8	Confident	72 Å²	72	45.4 Å²	45.4	32%	0.316	24%	0.243	S	C	.	.			trans	-71.3	128.4	176.9	-70.4	-81	0	0	0	111.1	I306 L311 H415	I306-F417 HydrophobicContact CB-CZ 4.45Å; I306-F417 HydrophobicContact CG2-CE2 3.95Å; I306-F417 HydrophobicContact CG2-CZ 3.58Å; L311-F417 WeakPolarHBondContact CD2-O 3.42Å; H415-F417 HydrophobicContact CB-CE2 4.18Å; H415-F417 HydrophobicContact CB-CZ 4.37Å; H415-F417 AromaticContact CE1-CD1 3.9Å; H415-F417 AromaticContact ND1-CD1 3.47Å; H415-F417 WeakPolarHBondContact ND1-CD1 3.31Å; H415-F417 AromaticContact ND1-CD2 3.77Å; H415-F417 AromaticContact ND1-CE1 3.58Å; H415-F417 AromaticContact ND1-CE2 3.88Å; H415-F417 AromaticContact ND1-CG 3.57Å; H415-F417 AromaticContact ND1-CZ 3.8Å; H415-F417 WeakPolarHBondContact O-CD2 3.4Å; H415-F417 PolarHBondContact O-N 2.82Å; H415-F417 VanDerWaalsContact O-N 3.08Å
418	R	87.9	Confident	85.7	Confident	50 Å²	50	46.7 Å²	46.7	19%	0.189	26%	0.258	C	S	.	.			trans	-107.7	143.1	-179.5	-51.4	178.7	-157.9	-159.6	8.7	109.8	H148 F150 E196 H279 V416 K420 P422	H148-R418 PolarHBondContact O-NH1 2.6Å; F150-R418 VanDerWaalsContact CE1-CZ 3.45Å; E196-R418 IonicContact OE1-NH2 2.74Å; E196-R418 IonicContact OE2-NH2 2.77Å; E196-R418 PolarHBondContact OE2-NH2 2.81Å; H279-R418 PolarHBondContact CE1-NH2 3.08Å; H279-R418 VanDerWaalsContact CG-NH2 3.33Å; H279-R418 PolarHBondContact ND1-NH2 2.89Å; H279-R418 PolarHBondContact NE2-NH2 2.97Å; V416-R418 PolarHBondContact O-N 2.78Å; R418-K420 VanDerWaalsContact C-N 3.29Å; R418-K420 WeakPolarHBondContact CB-O 3.49Å; R418-P422 VanDerWaalsContact NH1-CG 3.34Å
419	S	73.9	Confident	84.6	Confident	109 Å²	109	51.1 Å²	51.1	76%	0.762	29%	0.286	S	S	*	.	S	Bend	trans	-78.2	-16.2	175.9	-46.7	0	0	0	0	113.1
420	K	74.3	Confident	83.8	Confident	162 Å²	162	55.3 Å²	55.3	70%	0.704	31%	0.305	S	S	*	.	S	Bend	trans	-141.5	148	180	-65.6	-179	-178	176.9	0	109.3	R418	R418-K420 VanDerWaalsContact C-N 3.29Å; R418-K420 WeakPolarHBondContact CB-O 3.49Å
421	S	76.2	Confident	83.3	Confident	61 Å²	61	55.5 Å²	55.5	43%	0.427	31%	0.306	S	S	.	.			trans	-70.6	130.4	172	-175.9	0	0	0	0	109.7	H423	S421-H423 PolarHBondContact O-N 2.88Å; S421-H423 PolarHBondContact OG-N 3.17Å
422	P	72.5	Confident	82.9	Confident	39 Å²	39	57.3 Å²	57.3	25%	0.253	32%	0.315	S	S	.	.			trans	-75.2	-9.2	174.8	37.1	-42.6	0	0	0	112.2	C149 R418	C149-P422 HydrophobicContact CB-CB 4.42Å; R418-P422 VanDerWaalsContact NH1-CG 3.34Å
423	H	77.1	Confident	82.6	Confident	66 Å²	66	57.5 Å²	57.5	31%	0.306	32%	0.317	S	S	.	.	S	Bend	trans	-95.6	140.6	-166.7	-61.1	-45.3	0	0	0	112	H194 S421	H194-H423 AromaticContact CD2-ND1 3.56Å; H194-H423 PolarHBondContact O-CE1 3.42Å; H194-H423 VanDerWaalsContact O-CE1 3.31Å; S421-H423 PolarHBondContact O-N 2.88Å; S421-H423 PolarHBondContact OG-N 3.17Å
424	S	71.9	Confident	82.5	Confident	79 Å²	79	59.1 Å²	59.1	55%	0.552	32%	0.323	S	S	*	.			trans	-70.9	146.9	167.5	63.1	0	0	0	0	110.4	R254 P426	R254-S424 PolarHBondContact NH1-O 3.01Å; R254-S424 PolarHBondContact NH2-O 3.26Å; S424-P426 WeakPolarHBondContact O-CD 3.46Å
425	F	74.9	Confident	82.4	Confident	42 Å²	42	59.1 Å²	59.1	18%	0.184	32%	0.323	C	S	.	.			trans	-109.2	98.1	171.4	-71	-97	0	0	0	107.6	I386 W387 K427 G428 I432	I386-F425 HydrophobicContact CG2-CD1 3.97Å; I386-F425 HydrophobicContact CG2-CE1 3.95Å; W387-F425 HydrophobicContact CE3-CZ 4.5Å; F425-K427 PolarHBondContact O-N 3.01Å; F425-G428 WeakPolarHBondContact CB-O 3.47Å; F425-G428 WeakPolarHBondContact O-CA 3.42Å; F425-G428 PolarHBondContact O-N 3.08Å; F425-I432 HydrophobicContact CE1-CD1 4.01Å; F425-I432 HydrophobicContact CE1-CG1 4.11Å; F425-I432 HydrophobicContact CZ-CD1 4.16Å
426	P	66.6	Low	82.3	Confident	90 Å²	90	59 Å²	59	58%	0.584	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-30.4	-172.9	-29	33.3	0	0	0	113.9	S424	S424-P426 WeakPolarHBondContact O-CD 3.46Å
427	K	69	Low	82.3	Confident	139 Å²	139	58.9 Å²	58.9	60%	0.604	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	14.6	177.2	-59.6	-179.5	-178	175.8	0	113	E385 F425 V431	E385-K427 IonicContact OE1-NZ 2.66Å; E385-K427 PolarHBondContact OE1-NZ 3.19Å; F425-K427 PolarHBondContact O-N 3.01Å; K427-V431 HydrophobicContact CB-CG2 3.77Å
428	G	76.5	Confident	82.6	Confident	32 Å²	32	55.5 Å²	55.5	33%	0.33	31%	0.307	S	S	.	.			trans	77	177.2	-175.6	0	0	0	0	0	114.3	F425 Q430 V431	F425-G428 WeakPolarHBondContact CB-O 3.47Å; F425-G428 WeakPolarHBondContact O-CA 3.42Å; F425-G428 PolarHBondContact O-N 3.08Å; G428-Q430 PolarHBondContact O-N 3.34Å; G428-V431 WeakPolarHBondContact O-CG2 3.44Å; G428-V431 PolarHBondContact O-N 3.48Å
429	T	76.1	Confident	83.1	Confident	100 Å²	100	53.2 Å²	53.2	61%	0.613	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.3	-179.5	50.2	0	0	0	0	113.5	V431 I432	T429-V431 PolarHBondContact O-N 3.48Å; T429-V431 VanDerWaalsContact O-N 3.08Å; T429-I432 PolarHBondContact O-N 3.4Å
430	Q	80.3	Confident	84.3	Confident	93 Å²	93	48 Å²	48	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-55.1	-26.2	173.7	-165.5	-165.3	23.6	0	0	112.4	G428 I432 A433 R434 I461	G428-Q430 PolarHBondContact O-N 3.34Å; Q430-I432 VanDerWaalsContact C-N 3.25Å; Q430-I432 PolarHBondContact O-N 3.48Å; Q430-A433 PolarHBondContact O-N 3.26Å; Q430-R434 PolarHBondContact O-N 3.04Å; Q430-I461 HydrophobicContact CG-CD1 4.04Å
431	V	89.3	Confident	85.4	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-54.9	-41.1	174.8	172	0	0	0	0	111.9	E385 I386 K427 G428 T429 R434 N435	E385-V431 HydrophobicContact CB-CG1 3.66Å; E385-V431 WeakPolarHBondContact O-CG1 3.47Å; I386-V431 HydrophobicContact CB-CG1 4.21Å; I386-V431 HydrophobicContact CG1-CG1 4.34Å; K427-V431 HydrophobicContact CB-CG2 3.77Å; G428-V431 WeakPolarHBondContact O-CG2 3.44Å; G428-V431 PolarHBondContact O-N 3.48Å; T429-V431 PolarHBondContact O-N 3.48Å; T429-V431 VanDerWaalsContact O-N 3.08Å; V431-R434 WeakPolarHBondContact O-CB 3.49Å; V431-R434 PolarHBondContact O-N 3.29Å; V431-N435 VanDerWaalsContact O-CG 3.26Å; V431-N435 PolarHBondContact O-N 2.99Å; V431-N435 PolarHBondContact O-OD1 3.49Å
432	I	90.3	Very high	86.5	Confident	39 Å²	39	39 Å²	39	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-47.3	179.7	-59.2	170.6	0	0	0	109.8	W387 F425 T429 Q430 R434 N435 Q436	W387-I432 HydrophobicContact CE3-CD1 4.26Å; W387-I432 HydrophobicContact CZ3-CD1 4.19Å; F425-I432 HydrophobicContact CE1-CD1 4.01Å; F425-I432 HydrophobicContact CE1-CG1 4.11Å; F425-I432 HydrophobicContact CZ-CD1 4.16Å; T429-I432 PolarHBondContact O-N 3.4Å; Q430-I432 VanDerWaalsContact C-N 3.25Å; Q430-I432 PolarHBondContact O-N 3.48Å; I432-R434 VanDerWaalsContact C-N 3.29Å; I432-R434 PolarHBondContact O-N 2.99Å; I432-N435 PolarHBondContact O-N 2.73Å; I432-Q436 HydrophobicContact CG2-CG 4.49Å; I432-Q436 WeakPolarHBondContact O-CG 3.3Å; I432-Q436 PolarHBondContact O-N 3.08Å
433	A	91.5	Very high	87.8	Confident	7 Å²	7	37.1 Å²	37.1	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-38.6	177.1	0	0	0	0	0	111.6	Q430 Q436 V437 D457 I461	Q430-A433 PolarHBondContact O-N 3.26Å; A433-Q436 PolarHBondContact O-N 2.85Å; A433-V437 VanDerWaalsContact O-CG2 3.32Å; A433-V437 WeakPolarHBondContact O-CG2 3.46Å; A433-V437 PolarHBondContact O-N 3.37Å; A433-D457 HydrophobicContact CB-CB 4.28Å; A433-I461 HydrophobicContact CB-CD1 3.97Å
434	R	95.8	Very high	88.8	Confident	35 Å²	35	34 Å²	34	13%	0.132	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-49.2	174.3	-177.3	-178.7	164.1	-87.5	-12.2	111.2	E383 E385 Q430 V431 I432 Q436 V437 R438 I461 F467	E383-R434 PolarHBondContact O-NH1 3.3Å; E383-R434 PolarHBondContact O-NH2 2.88Å; E383-R434 VanDerWaalsContact O-NH2 3.12Å; E385-R434 IonicContact OE2-CZ 3.56Å; E385-R434 IonicContact OE2-NE 3.88Å; E385-R434 IonicContact OE2-NH1 3.24Å; E385-R434 PolarHBondContact OE2-NH1 2.91Å; Q430-R434 PolarHBondContact O-N 3.04Å; V431-R434 WeakPolarHBondContact O-CB 3.49Å; V431-R434 PolarHBondContact O-N 3.29Å; I432-R434 VanDerWaalsContact C-N 3.29Å; I432-R434 PolarHBondContact O-N 2.99Å; R434-Q436 VanDerWaalsContact C-N 3.32Å; R434-Q436 PolarHBondContact O-N 2.99Å; R434-V437 PolarHBondContact O-N 3.29Å; R434-R438 WeakPolarHBondContact O-CG 3.39Å; R434-R438 PolarHBondContact O-N 3.26Å; R434-I461 HydrophobicContact CB-CD1 4.25Å; R434-F467 PolarHBondContact NH2-O 3.35Å
435	N	97.1	Very high	90.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-41.9	177.7	-64.1	-11.8	0	0	0	111.4	M384 E385 G388 V431 I432 R438 L439	M384-N435 VanDerWaalsContact CA-OD1 3.31Å; M384-N435 WeakPolarHBondContact CA-OD1 3.32Å; M384-N435 HydrophobicContact CB-CB 4.42Å; M384-N435 HydrophobicContact CE-CB 4.46Å; M384-N435 WeakPolarHBondContact CE-O 3.19Å; M384-N435 HydrophobicContact CG-CB 4.03Å; M384-N435 HydrophobicContact SD-CB 4.24Å; E385-N435 PolarHBondContact N-OD1 2.93Å; E385-N435 PolarHBondContact O-ND2 3.06Å; G388-N435 WeakPolarHBondContact O-CB 3.28Å; G388-N435 PolarHBondContact O-ND2 2.77Å; V431-N435 VanDerWaalsContact O-CG 3.26Å; V431-N435 PolarHBondContact O-N 2.99Å; V431-N435 PolarHBondContact O-OD1 3.49Å; I432-N435 PolarHBondContact O-N 2.73Å; N435-R438 WeakPolarHBondContact O-CB 3.33Å; N435-R438 PolarHBondContact O-N 2.98Å; N435-L439 PolarHBondContact O-N 3.1Å; N435-L439 VanDerWaalsContact O-N 3.1Å
436	Q	97.2	Very high	91.1	Very high	16 Å²	16	34.5 Å²	34.5	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-37.3	175.6	-71.7	174.8	-35.3	0	0	112.8	S334 L335 I432 A433 R434 R438 L439 A440 F451	S334-Q436 PolarHBondContact O-NE2 2.9Å; S334-Q436 VanDerWaalsContact O-NE2 3.15Å; L335-Q436 HydrophobicContact CB-CG 4.15Å; L335-Q436 HydrophobicContact CD1-CB 4.11Å; L335-Q436 PolarHBondContact O-NE2 2.82Å; I432-Q436 HydrophobicContact CG2-CG 4.49Å; I432-Q436 WeakPolarHBondContact O-CG 3.3Å; I432-Q436 PolarHBondContact O-N 3.08Å; A433-Q436 PolarHBondContact O-N 2.85Å; R434-Q436 VanDerWaalsContact C-N 3.32Å; R434-Q436 PolarHBondContact O-N 2.99Å; Q436-R438 VanDerWaalsContact C-N 3.34Å; Q436-L439 WeakPolarHBondContact O-CG 3.47Å; Q436-L439 PolarHBondContact O-N 2.95Å; Q436-A440 VanDerWaalsContact O-CB 3.25Å; Q436-A440 WeakPolarHBondContact O-CB 3.47Å; Q436-A440 PolarHBondContact O-N 2.88Å; Q436-F451 HydrophobicContact CB-CE1 4.13Å; Q436-F451 HydrophobicContact CB-CE2 4.4Å; Q436-F451 HydrophobicContact CB-CZ 3.63Å
437	V	98.3	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-42.4	172.2	171.3	0	0	0	0	110.7	A433 R434 L439 A440 E441 F451 Y452 A458 I461 V462 F467	A433-V437 VanDerWaalsContact O-CG2 3.32Å; A433-V437 WeakPolarHBondContact O-CG2 3.46Å; A433-V437 PolarHBondContact O-N 3.37Å; R434-V437 PolarHBondContact O-N 3.29Å; V437-L439 PolarHBondContact O-N 3.37Å; V437-A440 PolarHBondContact O-N 3.19Å; V437-E441 HydrophobicContact CG1-CG 4.18Å; V437-E441 WeakPolarHBondContact O-CB 3.35Å; V437-E441 WeakPolarHBondContact O-CG 3.39Å; V437-E441 PolarHBondContact O-N 2.96Å; V437-F451 HydrophobicContact CG2-CE1 4.21Å; V437-Y452 HydrophobicContact CG1-CE1 4.46Å; V437-Y452 HydrophobicContact CG2-CE1 4.11Å; V437-A458 HydrophobicContact CG2-CB 3.61Å; V437-I461 HydrophobicContact CB-CG2 4.23Å; V437-I461 HydrophobicContact CG1-CG2 4.16Å; V437-I461 HydrophobicContact CG2-CB 4.25Å; V437-I461 HydrophobicContact CG2-CG2 4.09Å; V437-V462 HydrophobicContact CG1-CG2 3.55Å; V437-V462 HydrophobicContact CG2-CG2 4.13Å; V437-F467 HydrophobicContact CB-CB 4.23Å; V437-F467 HydrophobicContact CG1-CB 3.64Å; V437-F467 HydrophobicContact CG1-CD1 3.57Å; V437-F467 HydrophobicContact CG1-CE1 4.37Å; V437-F467 HydrophobicContact CG1-CG 3.69Å
438	R	98.5	Very high	93.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-58.7	-46.7	178.2	-67.1	-179.8	63.9	74	5	112	D381 E383 M384 R434 N435 Q436 V442 F467 D469 L470	D381-R438 VanDerWaalsContact CG-NH2 3.31Å; D381-R438 IonicContact OD1-CZ 3.56Å; D381-R438 IonicContact OD1-NE 2.71Å; D381-R438 IonicContact OD1-NH2 3.65Å; D381-R438 PolarHBondContact OD1-NH2 2.87Å; D381-R438 IonicContact OD2-CZ 3.72Å; D381-R438 VanDerWaalsContact OD2-CZ 3.24Å; D381-R438 IonicContact OD2-NE 3.78Å; D381-R438 PolarHBondContact OD2-NE 3.33Å; D381-R438 IonicContact OD2-NH2 2.84Å; D381-R438 PolarHBondContact OD2-NH2 3.36Å; E383-R438 VanDerWaalsContact CB-NH2 3.31Å; M384-R438 HydrophobicContact CE-CB 4.47Å; R434-R438 WeakPolarHBondContact O-CG 3.39Å; R434-R438 PolarHBondContact O-N 3.26Å; N435-R438 WeakPolarHBondContact O-CB 3.33Å; N435-R438 PolarHBondContact O-N 2.98Å; Q436-R438 VanDerWaalsContact C-N 3.34Å; R438-V442 WeakPolarHBondContact O-CG2 3.33Å; R438-V442 PolarHBondContact O-N 3.29Å; R438-F467 WeakPolarHBondContact CD-O 3.34Å; R438-F467 HydrophobicContact CG-CB 4.1Å; R438-F467 WeakPolarHBondContact CG-O 3.36Å; R438-F467 PolarHBondContact NH1-O 3.1Å; R438-D469 PolarHBondContact NH1-O 3.25Å; R438-D469 PolarHBondContact NH2-O 3.47Å; R438-L470 HydrophobicContact CB-CD2 3.91Å; R438-L470 HydrophobicContact CG-CD2 4.04Å; R438-L470 VanDerWaalsContact CZ-CD2 3.49Å
439	L	98.4	Very high	94.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-38.3	177.9	81.5	86.5	0	0	0	112.1	L335 M384 G389 I392 E393 F396 N435 Q436 V437 V442 W443 M444	L335-L439 HydrophobicContact CD1-CD1 4Å; L335-L439 HydrophobicContact CD1-CG 4.46Å; L335-L439 HydrophobicContact CD2-CD1 4.48Å; M384-L439 HydrophobicContact CE-CB 3.99Å; G389-L439 WeakPolarHBondContact O-CD2 2.89Å; I392-L439 HydrophobicContact CB-CD2 4.13Å; I392-L439 HydrophobicContact CG2-CD1 4.08Å; I392-L439 HydrophobicContact CG2-CD2 4.31Å; E393-L439 HydrophobicContact CB-CB 3.64Å; E393-L439 HydrophobicContact CB-CD2 4.22Å; E393-L439 HydrophobicContact CB-CG 4.49Å; E393-L439 HydrophobicContact CG-CB 3.71Å; F396-L439 HydrophobicContact CD2-CD1 3.95Å; F396-L439 HydrophobicContact CE2-CD1 3.8Å; N435-L439 PolarHBondContact O-N 3.1Å; N435-L439 VanDerWaalsContact O-N 3.1Å; Q436-L439 WeakPolarHBondContact O-CG 3.47Å; Q436-L439 PolarHBondContact O-N 2.95Å; V437-L439 PolarHBondContact O-N 3.37Å; L439-V442 PolarHBondContact O-N 3.18Å; L439-W443 WeakPolarHBondContact O-CB 3.46Å; L439-W443 PolarHBondContact O-N 3.43Å; L439-M444 HydrophobicContact CD1-SD 4.31Å
440	A	98.6	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-44.5	-179.4	0	0	0	0	0	111.5	L335 Q436 V437 V442 M444 K448 F451 Y452	L335-A440 HydrophobicContact CD1-CB 4.17Å; Q436-A440 VanDerWaalsContact O-CB 3.25Å; Q436-A440 WeakPolarHBondContact O-CB 3.47Å; Q436-A440 PolarHBondContact O-N 2.88Å; V437-A440 PolarHBondContact O-N 3.19Å; A440-V442 VanDerWaalsContact C-N 3.29Å; A440-V442 PolarHBondContact O-N 2.9Å; A440-M444 HydrophobicContact CB-CG 4.46Å; A440-M444 HydrophobicContact CB-SD 3.67Å; A440-M444 WeakPolarHBondContact O-CB 3.46Å; A440-M444 PolarHBondContact O-N 2.73Å; A440-M444 VanDerWaalsContact O-N 3.14Å; A440-K448 HydrophobicContact CB-CB 3.95Å; A440-F451 HydrophobicContact CB-CD1 4.02Å; A440-F451 HydrophobicContact CB-CE1 4.41Å; A440-Y452 HydrophobicContact CB-CE1 4.22Å
441	E	98.6	Very high	95.9	Very high	32 Å²	32	20.5 Å²	20.5	15%	0.15	10%	0.096	C	C	.	.	H	α-helix	trans	-59.4	-37.5	176.6	-79.4	-57.2	134.8	0	0	113	V437 K448 Y452 F467 L470 F474	V437-E441 HydrophobicContact CG1-CG 4.18Å; V437-E441 WeakPolarHBondContact O-CB 3.35Å; V437-E441 WeakPolarHBondContact O-CG 3.39Å; V437-E441 PolarHBondContact O-N 2.96Å; E441-K448 VanDerWaalsContact CD-NZ 3.28Å; E441-K448 IonicContact OE1-NZ 3.23Å; E441-K448 PolarHBondContact OE1-NZ 3.38Å; E441-K448 IonicContact OE2-NZ 2.7Å; E441-K448 PolarHBondContact OE2-NZ 3.05Å; E441-Y452 VanDerWaalsContact CD-OH 3.3Å; E441-Y452 WeakPolarHBondContact CG-OH 3.47Å; E441-Y452 PolarHBondContact OE1-OH 3.46Å; E441-F467 HydrophobicContact CG-CE1 4.5Å; E441-F467 HydrophobicContact CG-CE2 4.22Å; E441-F467 HydrophobicContact CG-CZ 4.17Å; E441-L470 HydrophobicContact CB-CD1 3.33Å; E441-L470 HydrophobicContact CG-CD1 3.97Å; E441-F474 WeakPolarHBondContact O-CZ 3.39Å
442	V	98.8	Very high	96	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-85	-42.4	-176.8	-178.2	0	0	0	0	111.9	R438 L439 A440 L470 R473 F474 K477	R438-V442 WeakPolarHBondContact O-CG2 3.33Å; R438-V442 PolarHBondContact O-N 3.29Å; L439-V442 PolarHBondContact O-N 3.18Å; A440-V442 VanDerWaalsContact C-N 3.29Å; A440-V442 PolarHBondContact O-N 2.9Å; V442-L470 HydrophobicContact CG2-CB 4.23Å; V442-L470 HydrophobicContact CG2-CD1 4.07Å; V442-L470 HydrophobicContact CG2-CD2 3.98Å; V442-L470 HydrophobicContact CG2-CG 4.33Å; V442-R473 HydrophobicContact CG1-CB 4.04Å; V442-R473 HydrophobicContact CG2-CB 3.76Å; V442-F474 HydrophobicContact CG1-CD1 4.49Å; V442-F474 HydrophobicContact CG2-CE1 4.45Å; V442-F474 HydrophobicContact CG2-CE2 4.47Å; V442-F474 HydrophobicContact CG2-CZ 4.29Å; V442-K477 HydrophobicContact CG1-CD 4.33Å; V442-K477 VanDerWaalsContact O-CD 3.24Å; V442-K477 WeakPolarHBondContact O-CD 3.29Å; V442-K477 WeakPolarHBondContact O-CE 3.44Å; V442-K477 PolarHBondContact O-NZ 3.41Å
443	W	98.8	Very high	95.7	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-109.8	-24.6	-162.7	-62.5	107.8	0	0	0	115.2	E393 F396 R397 Q400 C401 L439 K477 C482 F485	E393-W443 PolarHBondContact OE1-NE1 2.87Å; F396-W443 HydrophobicContact CB-CB 3.97Å; F396-W443 HydrophobicContact CB-CG 4.24Å; F396-W443 HydrophobicContact CD2-CB 4.06Å; R397-W443 HydrophobicContact CB-CD2 4.21Å; R397-W443 HydrophobicContact CB-CE3 4.37Å; R397-W443 HydrophobicContact CB-CH2 3.83Å; R397-W443 HydrophobicContact CB-CZ2 3.64Å; R397-W443 HydrophobicContact CB-CZ3 4.17Å; R397-W443 VanDerWaalsContact CD-CZ2 3.47Å; R397-W443 HydrophobicContact CG-CH2 3.58Å; R397-W443 HydrophobicContact CG-CZ2 3.58Å; R397-W443 HydrophobicContact CG-CZ3 4.28Å; Q400-W443 HydrophobicContact CB-CE3 4.37Å; Q400-W443 HydrophobicContact CB-CZ3 4.37Å; Q400-W443 PolarHBondContact NE2-O 2.84Å; Q400-W443 VanDerWaalsContact NE2-O 3.15Å; Q400-W443 PolarHBondContact OE1-O 2.84Å; C401-W443 VanDerWaalsContact SG-CH2 3.58Å; C401-W443 VanDerWaalsContact SG-CZ3 3.56Å; L439-W443 WeakPolarHBondContact O-CB 3.46Å; L439-W443 PolarHBondContact O-N 3.43Å; W443-K477 HydrophobicContact CE3-CD 4.37Å; W443-K477 HydrophobicContact CH2-CB 3.96Å; W443-K477 HydrophobicContact CH2-CG 4.18Å; W443-K477 HydrophobicContact CZ3-CB 4.23Å; W443-K477 HydrophobicContact CZ3-CD 4.23Å; W443-K477 HydrophobicContact CZ3-CG 3.91Å; W443-C482 HydrophobicContact CZ3-CB 4.06Å; W443-F485 WeakPolarHBondContact O-CB 3.47Å; W443-F485 VanDerWaalsContact O-CD2 3.31Å; W443-F485 WeakPolarHBondContact O-CD2 3.42Å
444	M	98.6	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.1	C	C	.	.			trans	-94.2	-2.5	-169.4	-65.4	178.3	69.2	0	0	115.2	W333 L335 F396 L439 A440 E446 Y447 K448 F451 F485	W333-M444 HydrophobicContact CE3-CE 4.3Å; W333-M444 HydrophobicContact CZ3-CE 3.97Å; L335-M444 HydrophobicContact CD1-SD 3.85Å; L335-M444 HydrophobicContact CD2-CE 3.91Å; L335-M444 HydrophobicContact CD2-SD 3.63Å; L335-M444 HydrophobicContact CG-SD 4.3Å; F396-M444 HydrophobicContact CD2-CG 4.27Å; F396-M444 HydrophobicContact CE2-CG 3.87Å; F396-M444 HydrophobicContact CE2-SD 4.21Å; L439-M444 HydrophobicContact CD1-SD 4.31Å; A440-M444 HydrophobicContact CB-CG 4.46Å; A440-M444 HydrophobicContact CB-SD 3.67Å; A440-M444 WeakPolarHBondContact O-CB 3.46Å; A440-M444 PolarHBondContact O-N 2.73Å; A440-M444 VanDerWaalsContact O-N 3.14Å; M444-E446 PolarHBondContact O-N 2.94Å; M444-Y447 WeakPolarHBondContact O-CB 3.4Å; M444-Y447 WeakPolarHBondContact O-CD2 3.37Å; M444-Y447 PolarHBondContact O-N 3.33Å; M444-K448 HydrophobicContact CB-CB 4.1Å; M444-F451 HydrophobicContact CE-CB 4.48Å; M444-F485 HydrophobicContact CB-CD1 4.39Å; M444-F485 HydrophobicContact CB-CG 4.38Å; M444-F485 HydrophobicContact CE-CE1 4.28Å; M444-F485 HydrophobicContact CE-CZ 4.41Å; M444-F485 HydrophobicContact CG-CD2 4.3Å; M444-F485 HydrophobicContact CG-CE1 4.28Å; M444-F485 HydrophobicContact CG-CE2 4.02Å; M444-F485 HydrophobicContact CG-CZ 4Å
445	D	98.4	Very high	94.5	Very high	40 Å²	40	22.5 Å²	22.5	21%	0.214	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	48.5	-126.2	-180	-54.1	-42.4	0	0	0	111.5	Y447 K448 K477 N484 F485	D445-Y447 VanDerWaalsContact C-N 3.3Å; D445-Y447 PolarHBondContact O-N 2.91Å; D445-K448 VanDerWaalsContact O-CD 3.26Å; D445-K448 WeakPolarHBondContact O-CD 3.27Å; D445-K448 WeakPolarHBondContact O-CE 3.34Å; D445-K448 WeakPolarHBondContact O-CG 3.32Å; D445-K477 IonicContact OD1-NZ 2.73Å; D445-K477 PolarHBondContact OD1-NZ 2.98Å; D445-N484 VanDerWaalsContact OD2-CA 3.26Å; D445-N484 WeakPolarHBondContact OD2-CA 3.41Å; D445-N484 WeakPolarHBondContact OD2-CB 3.22Å; D445-F485 HydrophobicContact CB-CB 4.43Å; D445-F485 PolarHBondContact OD2-N 2.81Å
446	E	97.6	Very high	93.8	Very high	91 Å²	91	26.8 Å²	26.8	43%	0.425	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-70.7	-19.4	178.1	64.2	-89.3	-150.9	0	0	114.5	M444 K448 E449 L501	M444-E446 PolarHBondContact O-N 2.94Å; E446-K448 PolarHBondContact O-N 3.02Å; E446-E449 PolarHBondContact O-N 3.42Å; E446-L501 HydrophobicContact CB-CD2 4.38Å; E446-L501 HydrophobicContact CG-CD1 3.65Å; E446-L501 HydrophobicContact CG-CD2 3.95Å; E446-L501 HydrophobicContact CG-CG 4.48Å; E446-L501 WeakPolarHBondContact O-CD2 3.37Å
447	Y	97	Very high	93.2	Very high	26 Å²	26	30 Å²	30	10%	0.102	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-75.1	-12.4	-176	-58.3	-93.1	0	0	0	113.2	W333 M444 D445 E449 I450 F485 T486 L489 V498 L501	W333-Y447 HydrophobicContact CH2-CD1 4.27Å; M444-Y447 WeakPolarHBondContact O-CB 3.4Å; M444-Y447 WeakPolarHBondContact O-CD2 3.37Å; M444-Y447 PolarHBondContact O-N 3.33Å; D445-Y447 VanDerWaalsContact C-N 3.3Å; D445-Y447 PolarHBondContact O-N 2.91Å; Y447-E449 PolarHBondContact O-N 2.91Å; Y447-I450 HydrophobicContact CD1-CD1 4.06Å; Y447-I450 VanDerWaalsContact O-CB 3.31Å; Y447-I450 WeakPolarHBondContact O-CB 3.1Å; Y447-I450 PolarHBondContact O-N 3.38Å; Y447-I450 VanDerWaalsContact O-N 3.09Å; Y447-F485 HydrophobicContact CD2-CB 4.01Å; Y447-F485 AromaticContact CD2-CD1 3.57Å; Y447-F485 HydrophobicContact CD2-CD1 3.57Å; Y447-F485 HydrophobicContact CD2-CG 4.28Å; Y447-F485 HydrophobicContact CE2-CB 4.39Å; Y447-F485 HydrophobicContact CE2-CD1 4.3Å; Y447-F485 AromaticContact CG-CD1 3.74Å; Y447-F485 HydrophobicContact CG-CD1 3.74Å; Y447-F485 HydrophobicContact CG-CE1 4.34Å; Y447-T486 WeakPolarHBondContact CE2-OG1 3.44Å; Y447-T486 PolarHBondContact OH-OG1 2.82Å; Y447-L489 HydrophobicContact CD1-CD1 3.7Å; Y447-L489 HydrophobicContact CD2-CD1 4.29Å; Y447-L489 HydrophobicContact CE1-CD1 3.48Å; Y447-L489 VanDerWaalsContact CE1-CD1 3.48Å; Y447-L489 HydrophobicContact CE2-CD1 4.08Å; Y447-L489 HydrophobicContact CG-CD1 4.1Å; Y447-V498 HydrophobicContact CD1-CG1 3.85Å; Y447-V498 HydrophobicContact CE1-CG1 3.72Å; Y447-L501 HydrophobicContact CD1-CD2 3.72Å; Y447-L501 HydrophobicContact CD1-CG 4.43Å; Y447-L501 HydrophobicContact CE1-CD1 4.49Å; Y447-L501 HydrophobicContact CE1-CD2 4.19Å; Y447-L501 HydrophobicContact CE1-CG 4.46Å; Y447-L501 HydrophobicContact CG-CD2 4.05Å
448	K	97.1	Very high	92.8	Very high	41 Å²	41	30 Å²	30	18%	0.178	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-27.3	172.7	67.9	-168.6	178.1	174.3	0	113.1	A440 E441 M444 D445 E446 I450 F451 Y452	A440-K448 HydrophobicContact CB-CB 3.95Å; E441-K448 VanDerWaalsContact CD-NZ 3.28Å; E441-K448 IonicContact OE1-NZ 3.23Å; E441-K448 PolarHBondContact OE1-NZ 3.38Å; E441-K448 IonicContact OE2-NZ 2.7Å; E441-K448 PolarHBondContact OE2-NZ 3.05Å; M444-K448 HydrophobicContact CB-CB 4.1Å; D445-K448 VanDerWaalsContact O-CD 3.26Å; D445-K448 WeakPolarHBondContact O-CD 3.27Å; D445-K448 WeakPolarHBondContact O-CE 3.34Å; D445-K448 WeakPolarHBondContact O-CG 3.32Å; E446-K448 PolarHBondContact O-N 3.02Å; K448-I450 PolarHBondContact O-N 3.47Å; K448-F451 WeakPolarHBondContact O-CB 3.45Å; K448-F451 PolarHBondContact O-N 2.76Å; K448-F451 VanDerWaalsContact O-N 3.09Å; K448-Y452 HydrophobicContact CB-CE2 3.9Å; K448-Y452 HydrophobicContact CD-CE2 3.88Å; K448-Y452 HydrophobicContact CG-CD2 4.27Å; K448-Y452 HydrophobicContact CG-CE2 3.62Å; K448-Y452 WeakPolarHBondContact O-CD2 3.41Å; K448-Y452 VanDerWaalsContact O-CG 3.31Å; K448-Y452 PolarHBondContact O-N 3.42Å
449	E	93.8	Very high	92.4	Very high	94 Å²	94	31.7 Å²	31.7	44%	0.439	16%	0.161	S	C	.	.	H	α-helix	trans	-63.8	-30.3	177.1	-61.7	-55.1	144.5	0	0	112.4	E446 Y447 F451 Y452 R453	E446-E449 PolarHBondContact O-N 3.42Å; Y447-E449 PolarHBondContact O-N 2.91Å; E449-F451 VanDerWaalsContact C-N 3.32Å; E449-F451 PolarHBondContact O-N 3.38Å; E449-Y452 PolarHBondContact O-N 3.19Å; E449-R453 WeakPolarHBondContact O-CB 3.49Å; E449-R453 PolarHBondContact O-N 3.48Å
450	I	90.1	Very high	92	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-42.3	174.8	-59.8	177.1	0	0	0	110	W333 Y447 K448 R454 V498 P499 L501	W333-I450 HydrophobicContact CB-CG2 3.96Å; W333-I450 HydrophobicContact CD2-CG2 3.67Å; W333-I450 HydrophobicContact CE3-CB 3.87Å; W333-I450 HydrophobicContact CE3-CD1 4.18Å; W333-I450 HydrophobicContact CE3-CG2 3.5Å; W333-I450 VanDerWaalsContact CE3-CG2 3.5Å; W333-I450 HydrophobicContact CG-CG2 3.87Å; W333-I450 HydrophobicContact CH2-CD1 4.07Å; W333-I450 HydrophobicContact CZ3-CB 4.23Å; W333-I450 HydrophobicContact CZ3-CD1 3.86Å; W333-I450 HydrophobicContact CZ3-CG2 4.23Å; Y447-I450 HydrophobicContact CD1-CD1 4.06Å; Y447-I450 VanDerWaalsContact O-CB 3.31Å; Y447-I450 WeakPolarHBondContact O-CB 3.1Å; Y447-I450 PolarHBondContact O-N 3.38Å; Y447-I450 VanDerWaalsContact O-N 3.09Å; K448-I450 PolarHBondContact O-N 3.47Å; I450-R454 WeakPolarHBondContact O-CD 3.48Å; I450-R454 PolarHBondContact O-NH1 3.14Å; I450-V498 HydrophobicContact CD1-CG1 4.15Å; I450-P499 HydrophobicContact CD1-CB 4.32Å; I450-P499 VanDerWaalsContact CD1-O 3.3Å; I450-P499 WeakPolarHBondContact CD1-O 3.45Å; I450-P499 HydrophobicContact CG2-CB 3.9Å; I450-P499 HydrophobicContact CG2-CG 3.67Å; I450-L501 HydrophobicContact CD1-CD2 4.02Å; I450-L501 HydrophobicContact CG1-CD2 4.18Å
451	F	90.9	Very high	91.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-48.1	176.9	164.2	-117.4	0	0	0	111.6	W333 L335 Q436 V437 A440 M444 K448 E449 R453 R454 N455 A458	W333-F451 WeakPolarHBondContact O-CA 3.45Å; L335-F451 HydrophobicContact CB-CD2 4.36Å; L335-F451 HydrophobicContact CB-CE2 4.29Å; L335-F451 HydrophobicContact CD1-CB 4.3Å; L335-F451 HydrophobicContact CD1-CD1 3.65Å; L335-F451 HydrophobicContact CD1-CD2 3.76Å; L335-F451 HydrophobicContact CD1-CE1 3.81Å; L335-F451 HydrophobicContact CD1-CE2 3.91Å; L335-F451 HydrophobicContact CD1-CG 3.63Å; L335-F451 HydrophobicContact CD1-CZ 3.95Å; L335-F451 HydrophobicContact CG-CB 4.41Å; L335-F451 HydrophobicContact CG-CD1 4.48Å; L335-F451 HydrophobicContact CG-CD2 3.75Å; L335-F451 HydrophobicContact CG-CE2 4.1Å; L335-F451 HydrophobicContact CG-CG 3.97Å; Q436-F451 HydrophobicContact CB-CE1 4.13Å; Q436-F451 HydrophobicContact CB-CE2 4.4Å; Q436-F451 HydrophobicContact CB-CZ 3.63Å; V437-F451 HydrophobicContact CG2-CE1 4.21Å; A440-F451 HydrophobicContact CB-CD1 4.02Å; A440-F451 HydrophobicContact CB-CE1 4.41Å; M444-F451 HydrophobicContact CE-CB 4.48Å; K448-F451 WeakPolarHBondContact O-CB 3.45Å; K448-F451 PolarHBondContact O-N 2.76Å; K448-F451 VanDerWaalsContact O-N 3.09Å; E449-F451 VanDerWaalsContact C-N 3.32Å; E449-F451 PolarHBondContact O-N 3.38Å; F451-R453 VanDerWaalsContact C-N 3.25Å; F451-R453 PolarHBondContact O-N 3.2Å; F451-R454 PolarHBondContact O-N 2.81Å; F451-N455 HydrophobicContact CD2-CB 4.23Å; F451-N455 HydrophobicContact CE2-CB 3.75Å; F451-N455 HydrophobicContact CZ-CB 4.23Å; F451-N455 PolarHBondContact O-N 2.82Å; F451-A458 HydrophobicContact CD1-CB 4.32Å; F451-A458 HydrophobicContact CE1-CB 3.45Å; F451-A458 VanDerWaalsContact CE1-CB 3.45Å; F451-A458 HydrophobicContact CE2-CB 4.29Å; F451-A458 HydrophobicContact CZ-CB 3.43Å; F451-A458 VanDerWaalsContact CZ-CB 3.43Å
452	Y	90.4	Very high	91.7	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-35.4	-179.8	-60.2	-24.3	0	0	0	112.7	V437 A440 E441 K448 E449 R454 N455 A458 V462	V437-Y452 HydrophobicContact CG1-CE1 4.46Å; V437-Y452 HydrophobicContact CG2-CE1 4.11Å; A440-Y452 HydrophobicContact CB-CE1 4.22Å; E441-Y452 VanDerWaalsContact CD-OH 3.3Å; E441-Y452 WeakPolarHBondContact CG-OH 3.47Å; E441-Y452 PolarHBondContact OE1-OH 3.46Å; K448-Y452 HydrophobicContact CB-CE2 3.9Å; K448-Y452 HydrophobicContact CD-CE2 3.88Å; K448-Y452 HydrophobicContact CG-CD2 4.27Å; K448-Y452 HydrophobicContact CG-CE2 3.62Å; K448-Y452 WeakPolarHBondContact O-CD2 3.41Å; K448-Y452 VanDerWaalsContact O-CG 3.31Å; K448-Y452 PolarHBondContact O-N 3.42Å; E449-Y452 PolarHBondContact O-N 3.19Å; Y452-R454 VanDerWaalsContact C-N 3.29Å; Y452-R454 PolarHBondContact O-N 2.68Å; Y452-N455 CarbonylContact O-C 3.55Å; Y452-N455 VanDerWaalsContact O-O 3.12Å; Y452-A458 HydrophobicContact CD1-CB 4.1Å; Y452-V462 HydrophobicContact CD1-CG2 4.04Å; Y452-V462 HydrophobicContact CD2-CG2 4.2Å; Y452-V462 HydrophobicContact CE1-CG2 3.58Å; Y452-V462 HydrophobicContact CE2-CG1 4.27Å; Y452-V462 HydrophobicContact CE2-CG2 3.71Å; Y452-V462 HydrophobicContact CG-CG2 4.35Å
453	R	84.9	Confident	91.5	Very high	60 Å²	60	46.1 Å²	46.1	23%	0.226	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-30.7	175.8	-163.7	-174	-61.1	137.1	6.8	113.3	E449 F451 D500 L501 P503 Y543 E545	E449-R453 WeakPolarHBondContact O-CB 3.49Å; E449-R453 PolarHBondContact O-N 3.48Å; F451-R453 VanDerWaalsContact C-N 3.25Å; F451-R453 PolarHBondContact O-N 3.2Å; R453-D500 PolarHBondContact NH1-O 3.22Å; R453-L501 PolarHBondContact NH2-O 2.95Å; R453-P503 VanDerWaalsContact NH1-CG 3.31Å; R453-Y543 WeakPolarHBondContact CD-OH 3.1Å; R453-Y543 HydrophobicContact CG-CE2 4.11Å; R453-Y543 WeakPolarHBondContact CG-OH 3.28Å; R453-E545 IonicContact NH1-OE1 3.53Å; R453-E545 PolarHBondContact NH1-OE1 3.39Å; R453-E545 VanDerWaalsContact NH1-OE1 3.14Å
454	R	80.6	Confident	91.3	Very high	23 Å²	23	51.4 Å²	51.4	9%	0.087	25%	0.25	C	S	.	.	H	α-helix	trans	-88	-27.9	-178	-73.2	167.3	177.1	62.7	8.3	112.9	I450 F451 Y452 E545 N555 I556	I450-R454 WeakPolarHBondContact O-CD 3.48Å; I450-R454 PolarHBondContact O-NH1 3.14Å; F451-R454 PolarHBondContact O-N 2.81Å; Y452-R454 VanDerWaalsContact C-N 3.29Å; Y452-R454 PolarHBondContact O-N 2.68Å; R454-E545 IonicContact CZ-OE1 2.84Å; R454-E545 IonicContact NH1-OE1 3.54Å; R454-E545 PolarHBondContact NH1-OE1 2.89Å; R454-E545 VanDerWaalsContact NH2-CD 3.32Å; R454-E545 IonicContact NH2-OE1 3.46Å; R454-E545 PolarHBondContact NH2-OE1 2.88Å; R454-E545 IonicContact NH2-OE2 3.48Å; R454-E545 PolarHBondContact NH2-OE2 2.75Å; R454-E545 VanDerWaalsContact NH2-OE2 3.13Å; R454-N555 PolarHBondContact NE-O 2.92Å; R454-N555 PolarHBondContact NH2-ND2 2.8Å; R454-N555 PolarHBondContact NH2-OD1 2.84Å; R454-I556 HydrophobicContact CB-CD1 4.41Å; R454-I556 HydrophobicContact CG-CD1 4.03Å
455	N	81.5	Confident	91.1	Very high	33 Å²	33	59.5 Å²	59.5	18%	0.176	29%	0.286	C	S	.	.			trans	-118.7	100.2	-178.2	-171.3	-33.4	0	0	0	110.6	F451 Y452 D457 A458 A459	F451-N455 HydrophobicContact CD2-CB 4.23Å; F451-N455 HydrophobicContact CE2-CB 3.75Å; F451-N455 HydrophobicContact CZ-CB 4.23Å; F451-N455 PolarHBondContact O-N 2.82Å; Y452-N455 CarbonylContact O-C 3.55Å; Y452-N455 VanDerWaalsContact O-O 3.12Å; N455-D457 VanDerWaalsContact C-N 3.31Å; N455-D457 PolarHBondContact O-N 2.71Å; N455-D457 WeakPolarHBondContact OD1-CB 3.41Å; N455-D457 PolarHBondContact OD1-N 2.63Å; N455-A458 HydrophobicContact CB-CB 3.88Å; N455-A458 WeakPolarHBondContact O-CB 3.49Å; N455-A458 PolarHBondContact O-N 2.84Å; N455-A458 VanDerWaalsContact O-N 3.16Å; N455-A458 PolarHBondContact OD1-N 3.41Å; N455-A459 PolarHBondContact O-N 3.13Å
456	T	81.2	Confident	90.9	Very high	90 Å²	90	59.9 Å²	59.9	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-64.2	-33.3	-177.7	49.5	0	0	0	0	113	A459 K460	T456-A459 PolarHBondContact O-N 3.46Å; T456-K460 WeakPolarHBondContact O-CB 3.45Å; T456-K460 PolarHBondContact O-N 3.41Å
457	D	85.3	Confident	90.8	Very high	82 Å²	82	56.9 Å²	56.9	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-41.8	174	-75.8	-30	0	0	0	111.1	A433 N455 K460 I461	A433-D457 HydrophobicContact CB-CB 4.28Å; N455-D457 VanDerWaalsContact C-N 3.31Å; N455-D457 PolarHBondContact O-N 2.71Å; N455-D457 WeakPolarHBondContact OD1-CB 3.41Å; N455-D457 PolarHBondContact OD1-N 2.63Å; D457-K460 PolarHBondContact O-N 2.95Å; D457-I461 WeakPolarHBondContact O-CD1 3.36Å; D457-I461 VanDerWaalsContact O-CG1 3.25Å; D457-I461 WeakPolarHBondContact O-CG1 3.28Å; D457-I461 PolarHBondContact O-N 3.04Å
458	A	90	Very high	90.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-48.4	174.5	0	0	0	0	0	111.6	V437 F451 Y452 N455 K460 I461 V462	V437-A458 HydrophobicContact CG2-CB 3.61Å; F451-A458 HydrophobicContact CD1-CB 4.32Å; F451-A458 HydrophobicContact CE1-CB 3.45Å; F451-A458 VanDerWaalsContact CE1-CB 3.45Å; F451-A458 HydrophobicContact CE2-CB 4.29Å; F451-A458 HydrophobicContact CZ-CB 3.43Å; F451-A458 VanDerWaalsContact CZ-CB 3.43Å; Y452-A458 HydrophobicContact CD1-CB 4.1Å; N455-A458 HydrophobicContact CB-CB 3.88Å; N455-A458 WeakPolarHBondContact O-CB 3.49Å; N455-A458 PolarHBondContact O-N 2.84Å; N455-A458 VanDerWaalsContact O-N 3.16Å; N455-A458 PolarHBondContact OD1-N 3.41Å; A458-K460 VanDerWaalsContact C-N 3.28Å; A458-K460 PolarHBondContact O-N 2.96Å; A458-I461 PolarHBondContact O-N 2.86Å; A458-I461 VanDerWaalsContact O-N 3.15Å; A458-V462 WeakPolarHBondContact O-CG2 3.41Å; A458-V462 PolarHBondContact O-N 2.79Å
459	A	89.8	Confident	90.8	Very high	39 Å²	39	60.5 Å²	60.5	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-57.8	-40.6	176	0	0	0	0	0	112.4	N455 T456 V462 K463	N455-A459 PolarHBondContact O-N 3.13Å; T456-A459 PolarHBondContact O-N 3.46Å; A459-V462 PolarHBondContact O-N 2.86Å; A459-K463 WeakPolarHBondContact O-CB 3.42Å; A459-K463 PolarHBondContact O-N 3.08Å
460	K	90.7	Very high	91	Very high	109 Å²	109	56.5 Å²	56.5	47%	0.474	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-44.8	175.9	-177.4	179.7	176.8	-177.1	0	111.8	T456 D457 A458 V462 K463 Q464	T456-K460 WeakPolarHBondContact O-CB 3.45Å; T456-K460 PolarHBondContact O-N 3.41Å; D457-K460 PolarHBondContact O-N 2.95Å; A458-K460 VanDerWaalsContact C-N 3.28Å; A458-K460 PolarHBondContact O-N 2.96Å; K460-V462 VanDerWaalsContact C-N 3.31Å; K460-V462 PolarHBondContact O-N 3.3Å; K460-K463 PolarHBondContact O-N 3.29Å; K460-Q464 WeakPolarHBondContact O-CB 3.35Å; K460-Q464 VanDerWaalsContact O-CG 3.26Å; K460-Q464 WeakPolarHBondContact O-CG 3.17Å; K460-Q464 PolarHBondContact O-N 2.89Å
461	I	94.1	Very high	91.4	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-42.8	176.9	-71.4	164.5	0	0	0	110.7	Q430 A433 R434 V437 D457 A458 Q464 K465 A466 F467	Q430-I461 HydrophobicContact CG-CD1 4.04Å; A433-I461 HydrophobicContact CB-CD1 3.97Å; R434-I461 HydrophobicContact CB-CD1 4.25Å; V437-I461 HydrophobicContact CB-CG2 4.23Å; V437-I461 HydrophobicContact CG1-CG2 4.16Å; V437-I461 HydrophobicContact CG2-CB 4.25Å; V437-I461 HydrophobicContact CG2-CG2 4.09Å; D457-I461 WeakPolarHBondContact O-CD1 3.36Å; D457-I461 VanDerWaalsContact O-CG1 3.25Å; D457-I461 WeakPolarHBondContact O-CG1 3.28Å; D457-I461 PolarHBondContact O-N 3.04Å; A458-I461 PolarHBondContact O-N 2.86Å; A458-I461 VanDerWaalsContact O-N 3.15Å; I461-Q464 CarbonylContact O-C 3.49Å; I461-Q464 PolarHBondContact O-N 2.85Å; I461-K465 WeakPolarHBondContact O-CA 3.11Å; I461-K465 PolarHBondContact O-N 3.47Å; I461-A466 HydrophobicContact CG2-CB 4.23Å; I461-A466 PolarHBondContact O-N 2.81Å; I461-F467 HydrophobicContact CG2-CB 3.86Å; I461-F467 HydrophobicContact CG2-CD1 4.21Å
462	V	95.7	Very high	91.7	Very high	38 Å²	38	66 Å²	66	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-49.8	176.6	174.7	0	0	0	0	111.1	V437 Y452 A458 A459 K460 Q464 K465	V437-V462 HydrophobicContact CG1-CG2 3.55Å; V437-V462 HydrophobicContact CG2-CG2 4.13Å; Y452-V462 HydrophobicContact CD1-CG2 4.04Å; Y452-V462 HydrophobicContact CD2-CG2 4.2Å; Y452-V462 HydrophobicContact CE1-CG2 3.58Å; Y452-V462 HydrophobicContact CE2-CG1 4.27Å; Y452-V462 HydrophobicContact CE2-CG2 3.71Å; Y452-V462 HydrophobicContact CG-CG2 4.35Å; A458-V462 WeakPolarHBondContact O-CG2 3.41Å; A458-V462 PolarHBondContact O-N 2.79Å; A459-V462 PolarHBondContact O-N 2.86Å; K460-V462 VanDerWaalsContact C-N 3.31Å; K460-V462 PolarHBondContact O-N 3.3Å; V462-Q464 PolarHBondContact O-N 3.13Å; V462-K465 PolarHBondContact O-N 3.4Å
463	K	94.1	Very high	92.1	Very high	187 Å²	187	66 Å²	66	81%	0.813	34%	0.344	S	S	*	.	H	α-helix	trans	-58	-35.6	178.2	-173.7	174.8	-178.1	173.8	0	112.3	A459 K460	A459-K463 WeakPolarHBondContact O-CB 3.42Å; A459-K463 PolarHBondContact O-N 3.08Å; K460-K463 PolarHBondContact O-N 3.29Å
464	Q	95.4	Very high	92.7	Very high	112 Å²	112	66.2 Å²	66.2	52%	0.523	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.4	178.4	-66.1	177.3	-9.1	0	0	113.5	K460 I461 V462 A466	K460-Q464 WeakPolarHBondContact O-CB 3.35Å; K460-Q464 VanDerWaalsContact O-CG 3.26Å; K460-Q464 WeakPolarHBondContact O-CG 3.17Å; K460-Q464 PolarHBondContact O-N 2.89Å; I461-Q464 CarbonylContact O-C 3.49Å; I461-Q464 PolarHBondContact O-N 2.85Å; V462-Q464 PolarHBondContact O-N 3.13Å; Q464-A466 HydrophobicContact CB-CB 4.18Å; Q464-A466 PolarHBondContact O-N 3.44Å
465	K	94.7	Very high	93.6	Very high	171 Å²	171	71.2 Å²	71.2	74%	0.743	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	34.9	-170.7	-59.8	-174.5	176.3	-175.3	0	113.1	I461 V462 F467	I461-K465 WeakPolarHBondContact O-CA 3.11Å; I461-K465 PolarHBondContact O-N 3.47Å; V462-K465 PolarHBondContact O-N 3.4Å; K465-F467 VanDerWaalsContact C-N 3.26Å; K465-F467 PolarHBondContact O-N 2.75Å
466	A	94.8	Very high	94.3	Very high	47 Å²	47	70.8 Å²	70.8	39%	0.388	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9	-173.7	0	0	0	0	0	113.8	I461 Q464	I461-A466 HydrophobicContact CG2-CB 4.23Å; I461-A466 PolarHBondContact O-N 2.81Å; Q464-A466 HydrophobicContact CB-CB 4.18Å; Q464-A466 PolarHBondContact O-N 3.44Å
467	F	95.5	Very high	95.1	Very high	29 Å²	29	67.6 Å²	67.6	13%	0.127	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.2	-179.8	54.3	-96.3	0	0	0	114	R434 V437 R438 E441 I461 K465 L470	R434-F467 PolarHBondContact NH2-O 3.35Å; V437-F467 HydrophobicContact CB-CB 4.23Å; V437-F467 HydrophobicContact CG1-CB 3.64Å; V437-F467 HydrophobicContact CG1-CD1 3.57Å; V437-F467 HydrophobicContact CG1-CE1 4.37Å; V437-F467 HydrophobicContact CG1-CG 3.69Å; R438-F467 WeakPolarHBondContact CD-O 3.34Å; R438-F467 HydrophobicContact CG-CB 4.1Å; R438-F467 WeakPolarHBondContact CG-O 3.36Å; R438-F467 PolarHBondContact NH1-O 3.1Å; E441-F467 HydrophobicContact CG-CE1 4.5Å; E441-F467 HydrophobicContact CG-CE2 4.22Å; E441-F467 HydrophobicContact CG-CZ 4.17Å; I461-F467 HydrophobicContact CG2-CB 3.86Å; I461-F467 HydrophobicContact CG2-CD1 4.21Å; K465-F467 VanDerWaalsContact C-N 3.26Å; K465-F467 PolarHBondContact O-N 2.75Å; F467-L470 HydrophobicContact CD2-CD1 3.77Å; F467-L470 HydrophobicContact CD2-CG 4.07Å; F467-L470 HydrophobicContact CE2-CD1 3.56Å; F467-L470 HydrophobicContact CE2-CG 4.09Å
468	G	96	Very high	95.7	Very high	39 Å²	39	70 Å²	70	40%	0.402	36%	0.355	S	S	.	.			trans	82.2	-175.8	178.7	0	0	0	0	0	113.6
469	D	97.4	Very high	96.1	Very high	104 Å²	104	76 Å²	76	56%	0.556	38%	0.378	S	S	*	.			trans	-73.2	140.8	-179.8	-178.7	32.7	0	0	0	111.8	R438 S471	R438-D469 PolarHBondContact NH1-O 3.25Å; R438-D469 PolarHBondContact NH2-O 3.47Å; D469-S471 WeakPolarHBondContact OD1-CB 3.31Å; D469-S471 PolarHBondContact OD1-N 2.82Å; D469-S471 PolarHBondContact OD1-OG 3.38Å; D469-S471 WeakPolarHBondContact OD2-CB 3.38Å; D469-S471 PolarHBondContact OD2-OG 3.23Å
470	L	98.1	Very high	96.5	Very high	9 Å²	9	74.9 Å²	74.9	5%	0.047	37%	0.366	C	S	.	.			trans	-119.8	2.8	179.5	-64.4	176.4	0	0	0	112.4	R438 E441 V442 F467 K472 R473 F474	R438-L470 HydrophobicContact CB-CD2 3.91Å; R438-L470 HydrophobicContact CG-CD2 4.04Å; R438-L470 VanDerWaalsContact CZ-CD2 3.49Å; E441-L470 HydrophobicContact CB-CD1 3.33Å; E441-L470 HydrophobicContact CG-CD1 3.97Å; V442-L470 HydrophobicContact CG2-CB 4.23Å; V442-L470 HydrophobicContact CG2-CD1 4.07Å; V442-L470 HydrophobicContact CG2-CD2 3.98Å; V442-L470 HydrophobicContact CG2-CG 4.33Å; F467-L470 HydrophobicContact CD2-CD1 3.77Å; F467-L470 HydrophobicContact CD2-CG 4.07Å; F467-L470 HydrophobicContact CE2-CD1 3.56Å; F467-L470 HydrophobicContact CE2-CG 4.09Å; L470-K472 VanDerWaalsContact C-N 3.33Å; L470-K472 PolarHBondContact O-N 3Å; L470-R473 PolarHBondContact O-N 3.08Å; L470-F474 HydrophobicContact CB-CD2 3.79Å; L470-F474 HydrophobicContact CB-CE2 3.62Å; L470-F474 HydrophobicContact CD1-CE2 4.11Å; L470-F474 WeakPolarHBondContact O-CD2 3.33Å; L470-F474 PolarHBondContact O-N 3.25Å
471	S	98	Very high	96.8	Very high	72 Å²	72	77.3 Å²	77.3	50%	0.503	38%	0.379	S	S	.	.	H	α-helix	trans	-53.6	-46.1	-172.7	-60.1	0	0	0	0	112.7	D469 R473 F474 E475	D469-S471 WeakPolarHBondContact OD1-CB 3.31Å; D469-S471 PolarHBondContact OD1-N 2.82Å; D469-S471 PolarHBondContact OD1-OG 3.38Å; D469-S471 WeakPolarHBondContact OD2-CB 3.38Å; D469-S471 PolarHBondContact OD2-OG 3.23Å; S471-R473 VanDerWaalsContact C-N 3.3Å; S471-R473 PolarHBondContact O-N 3.13Å; S471-F474 PolarHBondContact O-N 3.22Å; S471-E475 WeakPolarHBondContact O-CB 3.35Å; S471-E475 PolarHBondContact O-N 3.45Å
472	K	97.9	Very high	97	Very high	128 Å²	128	78.1 Å²	78.1	56%	0.557	39%	0.385	S	S	*	.	H	α-helix	trans	-59.5	-38.2	176.2	-67.5	-178.1	178.8	177.3	0	112.8	E382 L470 I476	E382-K472 IonicContact OE2-NZ 3.68Å; L470-K472 VanDerWaalsContact C-N 3.33Å; L470-K472 PolarHBondContact O-N 3Å; K472-I476 WeakPolarHBondContact O-CG1 3.1Å; K472-I476 PolarHBondContact O-N 2.87Å; K472-I476 VanDerWaalsContact O-N 3.17Å
473	R	98.4	Very high	97.2	Very high	12 Å²	12	80 Å²	80	5%	0.045	39%	0.39	C	S	.	.	H	α-helix	trans	-73.9	-39.9	-178.3	-56.2	-51.2	-61.9	174.1	-1.8	111.1	G378 Y380 D381 E393 R397 V442 L470 S471 I476 K477	G378-R473 PolarHBondContact O-NH1 3.25Å; Y380-R473 PolarHBondContact O-NH1 2.98Å; D381-R473 HydrophobicContact CB-CG 4.47Å; E393-R473 IonicContact OE1-CZ 2.73Å; E393-R473 IonicContact OE1-NE 3.14Å; E393-R473 IonicContact OE1-NH2 2.79Å; E393-R473 PolarHBondContact OE1-NH2 3.15Å; E393-R473 IonicContact OE2-NH2 3.26Å; R397-R473 VanDerWaalsContact CD-NH2 3.31Å; V442-R473 HydrophobicContact CG1-CB 4.04Å; V442-R473 HydrophobicContact CG2-CB 3.76Å; L470-R473 PolarHBondContact O-N 3.08Å; S471-R473 VanDerWaalsContact C-N 3.3Å; S471-R473 PolarHBondContact O-N 3.13Å; R473-I476 PolarHBondContact O-N 2.86Å; R473-K477 PolarHBondContact O-N 2.87Å
474	F	98.4	Very high	97.4	Very high	65 Å²	65	74.9 Å²	74.9	29%	0.285	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-41	171.8	-75.8	-61.3	0	0	0	112.3	E441 V442 L470 S471 I476 K477 H478	E441-F474 WeakPolarHBondContact O-CZ 3.39Å; V442-F474 HydrophobicContact CG1-CD1 4.49Å; V442-F474 HydrophobicContact CG2-CE1 4.45Å; V442-F474 HydrophobicContact CG2-CE2 4.47Å; V442-F474 HydrophobicContact CG2-CZ 4.29Å; L470-F474 HydrophobicContact CB-CD2 3.79Å; L470-F474 HydrophobicContact CB-CE2 3.62Å; L470-F474 HydrophobicContact CD1-CE2 4.11Å; L470-F474 WeakPolarHBondContact O-CD2 3.33Å; L470-F474 PolarHBondContact O-N 3.25Å; S471-F474 PolarHBondContact O-N 3.22Å; F474-I476 VanDerWaalsContact C-N 3.31Å; F474-I476 PolarHBondContact O-N 2.93Å; F474-K477 PolarHBondContact O-N 3.06Å; F474-H478 PolarHBondContact O-CD2 2.71Å; F474-H478 VanDerWaalsContact O-CG 3.31Å; F474-H478 PolarHBondContact O-N 2.88Å
475	E	97.9	Very high	97.5	Very high	127 Å²	127	69.5 Å²	69.5	59%	0.593	35%	0.347	S	S	*	.	H	α-helix	trans	-56.8	-44.9	174.9	-174	-174.8	166.3	0	0	111.4	S471 H478 R479	S471-E475 WeakPolarHBondContact O-CB 3.35Å; S471-E475 PolarHBondContact O-N 3.45Å; E475-H478 PolarHBondContact O-N 2.98Å; E475-R479 WeakPolarHBondContact O-CB 3.13Å; E475-R479 PolarHBondContact O-N 3.07Å
476	I	97.3	Very high	97.7	Very high	24 Å²	24	63.1 Å²	63.1	12%	0.123	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-48.7	175.1	-67	164.6	0	0	0	110.9	K472 R473 F474 H478 R479 L480	K472-I476 WeakPolarHBondContact O-CG1 3.1Å; K472-I476 PolarHBondContact O-N 2.87Å; K472-I476 VanDerWaalsContact O-N 3.17Å; R473-I476 PolarHBondContact O-N 2.86Å; F474-I476 VanDerWaalsContact C-N 3.31Å; F474-I476 PolarHBondContact O-N 2.93Å; I476-H478 VanDerWaalsContact C-N 3.27Å; I476-H478 PolarHBondContact O-N 3.15Å; I476-R479 PolarHBondContact O-N 3.35Å; I476-L480 HydrophobicContact CG2-CD1 3.69Å; I476-L480 HydrophobicContact CG2-CG 4.32Å; I476-L480 WeakPolarHBondContact O-CB 3.28Å; I476-L480 WeakPolarHBondContact O-CG 3.34Å; I476-L480 PolarHBondContact O-N 3.11Å
477	K	97.9	Very high	97.9	Very high	23 Å²	23	64.2 Å²	64.2	10%	0.1	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-42.2	178.4	-174.3	177.9	180	-177.2	0	111.7	V442 W443 D445 R473 F474 Q481 C482	V442-K477 HydrophobicContact CG1-CD 4.33Å; V442-K477 VanDerWaalsContact O-CD 3.24Å; V442-K477 WeakPolarHBondContact O-CD 3.29Å; V442-K477 WeakPolarHBondContact O-CE 3.44Å; V442-K477 PolarHBondContact O-NZ 3.41Å; W443-K477 HydrophobicContact CE3-CD 4.37Å; W443-K477 HydrophobicContact CH2-CB 3.96Å; W443-K477 HydrophobicContact CH2-CG 4.18Å; W443-K477 HydrophobicContact CZ3-CB 4.23Å; W443-K477 HydrophobicContact CZ3-CD 4.23Å; W443-K477 HydrophobicContact CZ3-CG 3.91Å; D445-K477 IonicContact OD1-NZ 2.73Å; D445-K477 PolarHBondContact OD1-NZ 2.98Å; R473-K477 PolarHBondContact O-N 2.87Å; F474-K477 PolarHBondContact O-N 3.06Å; K477-Q481 PolarHBondContact O-N 3.27Å; K477-C482 HydrophobicContact CG-CB 4.09Å; K477-C482 PolarHBondContact O-N 2.9Å; K477-C482 VanDerWaalsContact O-N 3.12Å; K477-C482 PolarHBondContact O-SG 3.34Å
478	H	97.9	Very high	98	Very high	134 Å²	134	62.9 Å²	62.9	62%	0.62	31%	0.31	S	S	*	.	H	α-helix	trans	-73.6	-48	179.1	-66.6	-46	0	0	0	112.9	F474 E475 I476 L480 Q481	F474-H478 PolarHBondContact O-CD2 2.71Å; F474-H478 VanDerWaalsContact O-CG 3.31Å; F474-H478 PolarHBondContact O-N 2.88Å; E475-H478 PolarHBondContact O-N 2.98Å; I476-H478 VanDerWaalsContact C-N 3.27Å; I476-H478 PolarHBondContact O-N 3.15Å; H478-L480 VanDerWaalsContact C-N 3.28Å; H478-L480 PolarHBondContact O-N 2.89Å; H478-Q481 PolarHBondContact O-N 2.55Å
479	R	97.8	Very high	98	Very high	125 Å²	125	61.2 Å²	61.2	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-41.2	179.8	179.4	179.1	61.3	78.9	-0.1	111.8	Y376 E475 I476 Q481	Y376-R479 PolarHBondContact O-NH2 2.81Å; Y376-R479 VanDerWaalsContact O-NH2 3.12Å; E475-R479 WeakPolarHBondContact O-CB 3.13Å; E475-R479 PolarHBondContact O-N 3.07Å; I476-R479 PolarHBondContact O-N 3.35Å; R479-Q481 VanDerWaalsContact C-N 3.29Å
480	L	97.6	Very high	97.9	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.079	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.6	179.9	-63.1	-178.5	0	0	0	113.6	Y376 I377 C401 I476 H478 C482	Y376-L480 HydrophobicContact CD1-CD2 4.28Å; Y376-L480 HydrophobicContact CE1-CD2 3.55Å; Y376-L480 HydrophobicContact CE2-CD2 3.95Å; Y376-L480 WeakPolarHBondContact OH-CD2 3.33Å; I377-L480 HydrophobicContact CD1-CD1 3.73Å; C401-L480 HydrophobicContact CB-CB 4.34Å; C401-L480 HydrophobicContact CB-CD1 4.25Å; I476-L480 HydrophobicContact CG2-CD1 3.69Å; I476-L480 HydrophobicContact CG2-CG 4.32Å; I476-L480 WeakPolarHBondContact O-CB 3.28Å; I476-L480 WeakPolarHBondContact O-CG 3.34Å; I476-L480 PolarHBondContact O-N 3.11Å; H478-L480 VanDerWaalsContact C-N 3.28Å; H478-L480 PolarHBondContact O-N 2.89Å; L480-C482 VanDerWaalsContact CB-SG 3.56Å; L480-C482 PolarHBondContact O-N 2.83Å
481	Q	98.2	Very high	97.8	Very high	160 Å²	160	65 Å²	65	75%	0.748	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	43.3	-179.8	-54.9	-177.9	13.2	0	0	112.7	K477 H478 R479	K477-Q481 PolarHBondContact O-N 3.27Å; H478-Q481 PolarHBondContact O-N 2.55Å; R479-Q481 VanDerWaalsContact C-N 3.29Å
482	C	98.6	Very high	97.8	Very high	20 Å²	20	62.9 Å²	62.9	14%	0.135	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-64.7	145	-174.1	-48.2	0	0	0	0	111.4	Q400 C401 W443 K477 L480	Q400-C482 HydrophobicContact CB-CB 4.22Å; Q400-C482 CarbonylContact O-C 3.1Å; Q400-C482 VanDerWaalsContact O-CA 3.27Å; Q400-C482 WeakPolarHBondContact O-CA 3.33Å; C401-C482 HydrophobicContact CB-CB 4.02Å; C401-C482 WeakPolarHBondContact CB-SG 3.39Å; C401-C482 WeakPolarHBondContact SG-CB 3.14Å; C401-C482 CovalentContact SG-SG 2.03Å; C401-C482 PolarHBondContact SG-SG 3.33Å; W443-C482 HydrophobicContact CZ3-CB 4.06Å; K477-C482 HydrophobicContact CG-CB 4.09Å; K477-C482 PolarHBondContact O-N 2.9Å; K477-C482 VanDerWaalsContact O-N 3.12Å; K477-C482 PolarHBondContact O-SG 3.34Å; L480-C482 VanDerWaalsContact CB-SG 3.56Å; L480-C482 PolarHBondContact O-N 2.83Å
483	K	98.7	Very high	97.7	Very high	76 Å²	76	57.1 Å²	57.1	33%	0.33	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-66.7	156.6	174.3	-57.8	-57.4	-168.3	-166.2	0	111	I82 Q400 W487	I82-K483 HydrophobicContact CD1-CD 4.44Å; I82-K483 HydrophobicContact CD1-CG 4.42Å; Q400-K483 WeakPolarHBondContact CB-O 3.29Å; Q400-K483 WeakPolarHBondContact CG-O 3.38Å; Q400-K483 PolarHBondContact NE2-O 3.35Å; Q400-K483 PolarHBondContact O-N 3.09Å; K483-W487 HydrophobicContact CB-CB 3.93Å; K483-W487 HydrophobicContact CB-CD2 3.54Å; K483-W487 HydrophobicContact CB-CE3 3.52Å; K483-W487 HydrophobicContact CB-CG 3.71Å; K483-W487 HydrophobicContact CB-CZ3 4.28Å; K483-W487 HydrophobicContact CG-CD2 3.68Å; K483-W487 HydrophobicContact CG-CE3 3.93Å; K483-W487 HydrophobicContact CG-CG 3.98Å; K483-W487 HydrophobicContact CG-CZ2 4.42Å; K483-W487 HydrophobicContact CG-CZ3 4.41Å
484	N	98.5	Very high	97.4	Very high	80 Å²	80	59.6 Å²	59.6	43%	0.428	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-76.7	171.3	177.3	70.2	2.3	0	0	0	112.1	Q400 D445 T486 W487 Y488	Q400-N484 VanDerWaalsContact NE2-C 3.33Å; D445-N484 VanDerWaalsContact OD2-CA 3.26Å; D445-N484 WeakPolarHBondContact OD2-CA 3.41Å; D445-N484 WeakPolarHBondContact OD2-CB 3.22Å; N484-T486 VanDerWaalsContact C-N 3.35Å; N484-W487 WeakPolarHBondContact O-CB 3.42Å; N484-W487 PolarHBondContact O-N 3.23Å; N484-W487 VanDerWaalsContact OD1-CB 3.29Å; N484-W487 WeakPolarHBondContact OD1-CB 3.44Å; N484-W487 PolarHBondContact OD1-N 3.12Å; N484-Y488 PolarHBondContact O-N 3.06Å
485	F	98.6	Very high	96.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71.1	-30.6	-177.3	-156.7	-112.7	0	0	0	112.5	F331 W333 F396 W443 M444 D445 Y447 W487 Y488 L489	F331-F485 HydrophobicContact CE2-CZ 4.41Å; F331-F485 HydrophobicContact CZ-CE1 4.43Å; F331-F485 AromaticContact CZ-CZ 3.86Å; F331-F485 HydrophobicContact CZ-CZ 3.86Å; W333-F485 HydrophobicContact CH2-CE1 4.33Å; W333-F485 HydrophobicContact CZ3-CE1 4.44Å; F396-F485 AromaticContact CD1-CE2 3.94Å; F396-F485 HydrophobicContact CD1-CE2 3.94Å; F396-F485 AromaticContact CD2-CE2 3.72Å; F396-F485 HydrophobicContact CD2-CE2 3.72Å; F396-F485 HydrophobicContact CD2-CZ 4.43Å; F396-F485 AromaticContact CE1-CE2 3.87Å; F396-F485 HydrophobicContact CE1-CE2 3.87Å; F396-F485 HydrophobicContact CE1-CZ 4.09Å; F396-F485 AromaticContact CE2-CE2 3.63Å; F396-F485 HydrophobicContact CE2-CE2 3.63Å; F396-F485 AromaticContact CE2-CZ 3.88Å; F396-F485 HydrophobicContact CE2-CZ 3.88Å; F396-F485 AromaticContact CG-CE2 3.89Å; F396-F485 HydrophobicContact CG-CE2 3.89Å; F396-F485 AromaticContact CZ-CE2 3.71Å; F396-F485 HydrophobicContact CZ-CE2 3.71Å; F396-F485 AromaticContact CZ-CZ 3.69Å; F396-F485 HydrophobicContact CZ-CZ 3.69Å; W443-F485 WeakPolarHBondContact O-CB 3.47Å; W443-F485 VanDerWaalsContact O-CD2 3.31Å; W443-F485 WeakPolarHBondContact O-CD2 3.42Å; M444-F485 HydrophobicContact CB-CD1 4.39Å; M444-F485 HydrophobicContact CB-CG 4.38Å; M444-F485 HydrophobicContact CE-CE1 4.28Å; M444-F485 HydrophobicContact CE-CZ 4.41Å; M444-F485 HydrophobicContact CG-CD2 4.3Å; M444-F485 HydrophobicContact CG-CE1 4.28Å; M444-F485 HydrophobicContact CG-CE2 4.02Å; M444-F485 HydrophobicContact CG-CZ 4Å; D445-F485 HydrophobicContact CB-CB 4.43Å; D445-F485 PolarHBondContact OD2-N 2.81Å; Y447-F485 HydrophobicContact CD2-CB 4.01Å; Y447-F485 AromaticContact CD2-CD1 3.57Å; Y447-F485 HydrophobicContact CD2-CD1 3.57Å; Y447-F485 HydrophobicContact CD2-CG 4.28Å; Y447-F485 HydrophobicContact CE2-CB 4.39Å; Y447-F485 HydrophobicContact CE2-CD1 4.3Å; Y447-F485 AromaticContact CG-CD1 3.74Å; Y447-F485 HydrophobicContact CG-CD1 3.74Å; Y447-F485 HydrophobicContact CG-CE1 4.34Å; F485-W487 VanDerWaalsContact C-N 3.27Å; F485-W487 PolarHBondContact O-N 3.01Å; F485-Y488 HydrophobicContact CD2-CD1 4.06Å; F485-Y488 HydrophobicContact CD2-CG 4.39Å; F485-Y488 AromaticContact CE2-CD1 3.64Å; F485-Y488 HydrophobicContact CE2-CD1 3.64Å; F485-Y488 HydrophobicContact CE2-CE1 4.05Å; F485-Y488 HydrophobicContact CE2-CG 4.3Å; F485-Y488 AromaticContact CZ-CD1 3.99Å; F485-Y488 HydrophobicContact CZ-CD1 3.99Å; F485-Y488 HydrophobicContact CZ-CE1 4.2Å; F485-Y488 WeakPolarHBondContact O-CB 3.4Å; F485-Y488 PolarHBondContact O-N 3.46Å; F485-Y488 VanDerWaalsContact O-N 3.08Å; F485-L489 HydrophobicContact CD1-CD1 3.81Å; F485-L489 HydrophobicContact CD1-CD2 4.4Å; F485-L489 HydrophobicContact CD1-CG 3.96Å; F485-L489 HydrophobicContact CE1-CD1 3.96Å; F485-L489 HydrophobicContact CE1-CD2 3.85Å; F485-L489 HydrophobicContact CE1-CG 3.94Å; F485-L489 HydrophobicContact CZ-CD2 4.31Å; F485-L489 WeakPolarHBondContact O-CG 3.46Å; F485-L489 PolarHBondContact O-N 3.29Å
486	T	97.8	Very high	96.5	Very high	36 Å²	36	54.6 Å²	54.6	22%	0.221	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-42.8	170.4	-49.2	0	0	0	0	111.4	Y447 N484 Y488 L489 N490	Y447-T486 WeakPolarHBondContact CE2-OG1 3.44Å; Y447-T486 PolarHBondContact OH-OG1 2.82Å; N484-T486 VanDerWaalsContact C-N 3.35Å; T486-Y488 VanDerWaalsContact C-N 3.34Å; T486-L489 PolarHBondContact O-N 3.26Å; T486-N490 WeakPolarHBondContact O-CB 3.4Å; T486-N490 VanDerWaalsContact O-CG 3.25Å; T486-N490 PolarHBondContact O-N 3.32Å; T486-N490 PolarHBondContact O-ND2 3.08Å
487	W	98.4	Very high	95.9	Very high	71 Å²	71	54 Å²	54	27%	0.269	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174.9	175.2	92.3	0	0	0	111.1	W399 K483 N484 F485 N490 N491 I492	W399-W487 WeakPolarHBondContact O-CZ3 3.46Å; K483-W487 HydrophobicContact CB-CB 3.93Å; K483-W487 HydrophobicContact CB-CD2 3.54Å; K483-W487 HydrophobicContact CB-CE3 3.52Å; K483-W487 HydrophobicContact CB-CG 3.71Å; K483-W487 HydrophobicContact CB-CZ3 4.28Å; K483-W487 HydrophobicContact CG-CD2 3.68Å; K483-W487 HydrophobicContact CG-CE3 3.93Å; K483-W487 HydrophobicContact CG-CG 3.98Å; K483-W487 HydrophobicContact CG-CZ2 4.42Å; K483-W487 HydrophobicContact CG-CZ3 4.41Å; N484-W487 WeakPolarHBondContact O-CB 3.42Å; N484-W487 PolarHBondContact O-N 3.23Å; N484-W487 VanDerWaalsContact OD1-CB 3.29Å; N484-W487 WeakPolarHBondContact OD1-CB 3.44Å; N484-W487 PolarHBondContact OD1-N 3.12Å; F485-W487 VanDerWaalsContact C-N 3.27Å; F485-W487 PolarHBondContact O-N 3.01Å; W487-N490 PolarHBondContact O-N 3.49Å; W487-N491 HydrophobicContact CD2-CB 4.36Å; W487-N491 HydrophobicContact CZ2-CB 4.16Å; W487-N491 PolarHBondContact NE1-ND2 2.81Å; W487-N491 VanDerWaalsContact O-CB 3.29Å; W487-N491 WeakPolarHBondContact O-CB 3.4Å; W487-N491 PolarHBondContact O-N 2.75Å; W487-N491 PolarHBondContact O-ND2 2.77Å; W487-I492 HydrophobicContact CH2-CD1 3.89Å; W487-I492 HydrophobicContact CH2-CG1 4.08Å; W487-I492 HydrophobicContact CZ3-CD1 4.22Å; W487-I492 HydrophobicContact CZ3-CG1 3.88Å
488	Y	98.8	Very high	95.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-50.3	177.4	171.6	-92.2	0	0	0	111.4	F331 P360 F396 W399 N484 F485 T486 N490 N491 I492 Y493	F331-Y488 AromaticContact CE1-CE1 3.92Å; F331-Y488 HydrophobicContact CE1-CE1 3.92Å; F331-Y488 HydrophobicContact CZ-CE1 4.49Å; P360-Y488 PolarHBondContact O-OH 3.3Å; F396-Y488 AromaticContact CD1-CE1 3.96Å; F396-Y488 HydrophobicContact CD1-CE1 3.96Å; F396-Y488 HydrophobicContact CD1-CE2 4.08Å; F396-Y488 AromaticContact CD1-CZ 3.68Å; F396-Y488 AromaticContact CE1-CE1 3.78Å; F396-Y488 HydrophobicContact CE1-CE1 3.78Å; F396-Y488 AromaticContact CE1-CZ 3.77Å; W399-Y488 HydrophobicContact CB-CD2 3.76Å; W399-Y488 HydrophobicContact CB-CE2 3.89Å; W399-Y488 AromaticContact CD1-CE2 3.75Å; W399-Y488 HydrophobicContact CG-CD2 4.3Å; W399-Y488 HydrophobicContact CG-CE2 4.01Å; N484-Y488 PolarHBondContact O-N 3.06Å; F485-Y488 HydrophobicContact CD2-CD1 4.06Å; F485-Y488 HydrophobicContact CD2-CG 4.39Å; F485-Y488 AromaticContact CE2-CD1 3.64Å; F485-Y488 HydrophobicContact CE2-CD1 3.64Å; F485-Y488 HydrophobicContact CE2-CE1 4.05Å; F485-Y488 HydrophobicContact CE2-CG 4.3Å; F485-Y488 AromaticContact CZ-CD1 3.99Å; F485-Y488 HydrophobicContact CZ-CD1 3.99Å; F485-Y488 HydrophobicContact CZ-CE1 4.2Å; F485-Y488 WeakPolarHBondContact O-CB 3.4Å; F485-Y488 PolarHBondContact O-N 3.46Å; F485-Y488 VanDerWaalsContact O-N 3.08Å; T486-Y488 VanDerWaalsContact C-N 3.34Å; Y488-N490 VanDerWaalsContact C-N 3.34Å; Y488-N490 PolarHBondContact O-N 3.16Å; Y488-N491 PolarHBondContact O-N 3.34Å; Y488-I492 HydrophobicContact CD2-CB 3.84Å; Y488-I492 HydrophobicContact CD2-CG1 3.91Å; Y488-I492 HydrophobicContact CD2-CG2 4.1Å; Y488-I492 HydrophobicContact CE2-CB 3.92Å; Y488-I492 HydrophobicContact CE2-CG1 4.36Å; Y488-I492 HydrophobicContact CE2-CG2 3.67Å; Y488-I492 HydrophobicContact CG-CB 4.43Å; Y488-I492 WeakPolarHBondContact O-CA 3.34Å; Y488-I492 VanDerWaalsContact O-CB 3.27Å; Y488-I492 WeakPolarHBondContact O-CB 3.43Å; Y488-I492 PolarHBondContact O-N 3.06Å; Y488-Y493 PolarHBondContact O-N 2.9Å
489	L	96.1	Very high	94.7	Very high	4 Å²	4	49 Å²	49	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-42.9	177.7	-63.6	172.5	0	0	0	111.5	F331 W333 Y447 F485 T486 Y493 P494 V496 V498	F331-L489 HydrophobicContact CZ-CD2 4.39Å; W333-L489 HydrophobicContact CH2-CD1 4.36Å; W333-L489 HydrophobicContact CH2-CD2 4.37Å; Y447-L489 HydrophobicContact CD1-CD1 3.7Å; Y447-L489 HydrophobicContact CD2-CD1 4.29Å; Y447-L489 HydrophobicContact CE1-CD1 3.48Å; Y447-L489 VanDerWaalsContact CE1-CD1 3.48Å; Y447-L489 HydrophobicContact CE2-CD1 4.08Å; Y447-L489 HydrophobicContact CG-CD1 4.1Å; F485-L489 HydrophobicContact CD1-CD1 3.81Å; F485-L489 HydrophobicContact CD1-CD2 4.4Å; F485-L489 HydrophobicContact CD1-CG 3.96Å; F485-L489 HydrophobicContact CE1-CD1 3.96Å; F485-L489 HydrophobicContact CE1-CD2 3.85Å; F485-L489 HydrophobicContact CE1-CG 3.94Å; F485-L489 HydrophobicContact CZ-CD2 4.31Å; F485-L489 WeakPolarHBondContact O-CG 3.46Å; F485-L489 PolarHBondContact O-N 3.29Å; T486-L489 PolarHBondContact O-N 3.26Å; L489-Y493 CarbonylContact O-C 3.57Å; L489-Y493 VanDerWaalsContact O-O 3.13Å; L489-P494 WeakPolarHBondContact O-CA 3.49Å; L489-V496 HydrophobicContact CD2-CG1 3.62Å; L489-V498 HydrophobicContact CD1-CG1 4.39Å; L489-V498 HydrophobicContact CD1-CG2 4.04Å; L489-V498 HydrophobicContact CD2-CG2 4.45Å
490	N	95.3	Very high	94	Very high	98 Å²	98	45 Å²	45	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-76.1	-27.3	-176.7	-70.9	-19.3	0	0	0	114.7	T486 W487 Y488	T486-N490 WeakPolarHBondContact O-CB 3.4Å; T486-N490 VanDerWaalsContact O-CG 3.25Å; T486-N490 PolarHBondContact O-N 3.32Å; T486-N490 PolarHBondContact O-ND2 3.08Å; W487-N490 PolarHBondContact O-N 3.49Å; Y488-N490 VanDerWaalsContact C-N 3.34Å; Y488-N490 PolarHBondContact O-N 3.16Å
491	N	96.7	Very high	93.4	Very high	95 Å²	95	46.6 Å²	46.6	51%	0.508	24%	0.239	S	C	.	.	H	α-helix	trans	-112.1	-30	-170.5	-65.6	-95.8	0	0	0	113.4	W487 Y488	W487-N491 HydrophobicContact CD2-CB 4.36Å; W487-N491 HydrophobicContact CZ2-CB 4.16Å; W487-N491 PolarHBondContact NE1-ND2 2.81Å; W487-N491 VanDerWaalsContact O-CB 3.29Å; W487-N491 WeakPolarHBondContact O-CB 3.4Å; W487-N491 PolarHBondContact O-N 2.75Å; W487-N491 PolarHBondContact O-ND2 2.77Å; Y488-N491 PolarHBondContact O-N 3.34Å
492	I	97.7	Very high	92.7	Very high	27 Å²	27	45.8 Å²	45.8	14%	0.138	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-42.5	-174.7	-54.2	-51.3	0	0	0	110.8	W399 W487 Y488 P494	W399-I492 HydrophobicContact CB-CG1 4.15Å; W399-I492 HydrophobicContact CD2-CB 4.47Å; W399-I492 HydrophobicContact CD2-CD1 3.78Å; W399-I492 HydrophobicContact CD2-CG1 3.95Å; W399-I492 HydrophobicContact CD2-CG2 3.68Å; W399-I492 HydrophobicContact CE3-CD1 3.32Å; W399-I492 HydrophobicContact CE3-CG1 3.98Å; W399-I492 HydrophobicContact CE3-CG2 4.36Å; W399-I492 HydrophobicContact CG-CD1 4.41Å; W399-I492 HydrophobicContact CG-CG1 4.07Å; W399-I492 HydrophobicContact CG-CG2 3.78Å; W399-I492 HydrophobicContact CH2-CD1 4.35Å; W399-I492 HydrophobicContact CZ2-CG2 4.17Å; W399-I492 HydrophobicContact CZ3-CD1 3.65Å; W487-I492 HydrophobicContact CH2-CD1 3.89Å; W487-I492 HydrophobicContact CH2-CG1 4.08Å; W487-I492 HydrophobicContact CZ3-CD1 4.22Å; W487-I492 HydrophobicContact CZ3-CG1 3.88Å; Y488-I492 HydrophobicContact CD2-CB 3.84Å; Y488-I492 HydrophobicContact CD2-CG1 3.91Å; Y488-I492 HydrophobicContact CD2-CG2 4.1Å; Y488-I492 HydrophobicContact CE2-CB 3.92Å; Y488-I492 HydrophobicContact CE2-CG1 4.36Å; Y488-I492 HydrophobicContact CE2-CG2 3.67Å; Y488-I492 HydrophobicContact CG-CB 4.43Å; Y488-I492 WeakPolarHBondContact O-CA 3.34Å; Y488-I492 VanDerWaalsContact O-CB 3.27Å; Y488-I492 WeakPolarHBondContact O-CB 3.43Å; Y488-I492 PolarHBondContact O-N 3.06Å; I492-P494 VanDerWaalsContact C-CD 3.45Å
493	Y	96.1	Very high	92	Very high	8 Å²	8	45.8 Å²	45.8	3%	0.031	24%	0.24	C	C	.	.			trans	-131.8	58.4	-177.7	-161.4	-170.2	0	0	0	113.5	N330 F331 E340 P360 Y488 L489 E495 V496	N330-Y493 HydrophobicContact CB-CE1 3.89Å; N330-Y493 WeakPolarHBondContact CB-OH 3.37Å; F331-Y493 HydrophobicContact CD1-CD1 4.23Å; F331-Y493 HydrophobicContact CD1-CE1 4.2Å; F331-Y493 AromaticContact CE1-CD1 3.82Å; F331-Y493 HydrophobicContact CE1-CD1 3.82Å; F331-Y493 HydrophobicContact CE1-CE1 4.13Å; E340-Y493 WeakPolarHBondContact OE1-CE2 3.4Å; E340-Y493 PolarHBondContact OE1-OH 2.02Å; E340-Y493 PolarHBondContact OE2-OH 3.23Å; P360-Y493 HydrophobicContact CB-CD1 3.73Å; P360-Y493 HydrophobicContact CB-CD2 4.36Å; P360-Y493 HydrophobicContact CB-CE1 4.33Å; P360-Y493 HydrophobicContact CB-CG 3.76Å; P360-Y493 HydrophobicContact CG-CD1 4Å; P360-Y493 HydrophobicContact CG-CD2 3.72Å; P360-Y493 HydrophobicContact CG-CE1 4.46Å; P360-Y493 HydrophobicContact CG-CE2 4.21Å; P360-Y493 HydrophobicContact CG-CG 3.61Å; Y488-Y493 PolarHBondContact O-N 2.9Å; L489-Y493 CarbonylContact O-C 3.57Å; L489-Y493 VanDerWaalsContact O-O 3.13Å; Y493-E495 HydrophobicContact CD2-CB 4.48Å; Y493-E495 HydrophobicContact CE2-CB 4.35Å; Y493-E495 PolarHBondContact O-N 2.84Å; Y493-V496 HydrophobicContact CD1-CB 3.68Å; Y493-V496 HydrophobicContact CD1-CG1 4.21Å; Y493-V496 HydrophobicContact CD1-CG2 4.03Å; Y493-V496 HydrophobicContact CD2-CB 4Å; Y493-V496 HydrophobicContact CE1-CB 3.64Å; Y493-V496 HydrophobicContact CE1-CG2 3.63Å; Y493-V496 HydrophobicContact CE2-CB 3.97Å; Y493-V496 HydrophobicContact CG-CB 3.85Å; Y493-V496 HydrophobicContact CG-CG1 4.27Å; Y493-V496 WeakPolarHBondContact O-CG1 3.14Å; Y493-V496 PolarHBondContact O-N 3.16Å
494	P	91.6	Very high	91.5	Very high	63 Å²	63	46.3 Å²	46.3	41%	0.409	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13	-176.1	29.9	-36.1	0	0	0	113.7	L489 I492 V496	L489-P494 WeakPolarHBondContact O-CA 3.49Å; I492-P494 VanDerWaalsContact C-CD 3.45Å; P494-V496 VanDerWaalsContact C-N 3.33Å
495	E	87.9	Confident	91	Very high	71 Å²	71	44.9 Å²	44.9	33%	0.332	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.9	176.8	-54.8	80.2	-165.5	0	0	113.3	R328 P343 H345 Y493 Y497	R328-E495 IonicContact CZ-OE2 3.2Å; R328-E495 IonicContact NH1-OE2 2.95Å; R328-E495 PolarHBondContact NH1-OE2 3.49Å; R328-E495 IonicContact NH2-OE2 2.66Å; R328-E495 PolarHBondContact NH2-OE2 2.91Å; P343-E495 HydrophobicContact CB-CG 4.08Å; H345-E495 IonicContact CD2-OE1 3.5Å; H345-E495 PolarHBondContact CD2-OE1 3.3Å; H345-E495 IonicContact CE1-OE1 3.72Å; H345-E495 IonicContact NE2-OE1 2.7Å; H345-E495 PolarHBondContact NE2-OE1 3.03Å; Y493-E495 HydrophobicContact CD2-CB 4.48Å; Y493-E495 HydrophobicContact CE2-CB 4.35Å; Y493-E495 PolarHBondContact O-N 2.84Å; E495-Y497 PolarHBondContact O-N 3.28Å
496	V	88.4	Confident	90.6	Very high	16 Å²	16	45.8 Å²	45.8	10%	0.097	25%	0.247	C	C	.	.	S	Bend	trans	-68	132.7	178.4	77.4	0	0	0	0	109.5	L489 Y493 P494 V498	L489-V496 HydrophobicContact CD2-CG1 3.62Å; Y493-V496 HydrophobicContact CD1-CB 3.68Å; Y493-V496 HydrophobicContact CD1-CG1 4.21Å; Y493-V496 HydrophobicContact CD1-CG2 4.03Å; Y493-V496 HydrophobicContact CD2-CB 4Å; Y493-V496 HydrophobicContact CE1-CB 3.64Å; Y493-V496 HydrophobicContact CE1-CG2 3.63Å; Y493-V496 HydrophobicContact CE2-CB 3.97Å; Y493-V496 HydrophobicContact CG-CB 3.85Å; Y493-V496 HydrophobicContact CG-CG1 4.27Å; Y493-V496 WeakPolarHBondContact O-CG1 3.14Å; Y493-V496 PolarHBondContact O-N 3.16Å; P494-V496 VanDerWaalsContact C-N 3.33Å; V496-V498 HydrophobicContact CG1-CG2 3.94Å
497	Y	84.4	Confident	90.2	Very high	11 Å²	11	44.1 Å²	44.1	4%	0.043	24%	0.238	C	C	.	.			trans	-73.6	132.5	165.9	161.1	-99.4	0	0	0	108.8	W333 E495 P499 R553 E559	W333-Y497 PolarHBondContact NE1-O 3.4Å; E495-Y497 PolarHBondContact O-N 3.28Å; Y497-P499 HydrophobicContact CD1-CG 4.22Å; Y497-P499 HydrophobicContact CE1-CB 4.18Å; Y497-P499 HydrophobicContact CE1-CG 3.68Å; Y497-R553 VanDerWaalsContact CE2-NH1 3.25Å; Y497-R553 VanDerWaalsContact OH-CD 3.31Å; Y497-R553 WeakPolarHBondContact OH-CD 3.4Å; Y497-R553 VanDerWaalsContact OH-CZ 3.32Å; Y497-R553 PolarHBondContact OH-NE 3.07Å; Y497-R553 PolarHBondContact OH-NH1 2.99Å; Y497-E559 VanDerWaalsContact CB-OE1 3.28Å; Y497-E559 WeakPolarHBondContact CB-OE1 3.2Å; Y497-E559 WeakPolarHBondContact CB-OE2 3.43Å; Y497-E559 HydrophobicContact CD1-CG 3.36Å; Y497-E559 WeakPolarHBondContact CD1-OE1 3.26Å; Y497-E559 WeakPolarHBondContact CD1-OE2 3.4Å; Y497-E559 HydrophobicContact CE1-CG 3.79Å; Y497-E559 VanDerWaalsContact CG-CD 3.41Å; Y497-E559 HydrophobicContact CG-CG 4.1Å
498	V	86.8	Confident	89.9	Confident	49 Å²	49	43.2 Å²	43.2	30%	0.297	24%	0.235	S	C	.	.			trans	-109.3	111.6	178.7	-174.2	0	0	0	0	107.9	W333 Y447 I450 L489 V496	W333-V498 HydrophobicContact CH2-CG1 4.05Å; W333-V498 HydrophobicContact CZ2-CB 4.14Å; W333-V498 HydrophobicContact CZ2-CG1 3.93Å; W333-V498 HydrophobicContact CZ2-CG2 4.06Å; Y447-V498 HydrophobicContact CD1-CG1 3.85Å; Y447-V498 HydrophobicContact CE1-CG1 3.72Å; I450-V498 HydrophobicContact CD1-CG1 4.15Å; L489-V498 HydrophobicContact CD1-CG1 4.39Å; L489-V498 HydrophobicContact CD1-CG2 4.04Å; L489-V498 HydrophobicContact CD2-CG2 4.45Å; V496-V498 HydrophobicContact CG1-CG2 3.94Å
499	P	84.6	Confident	89.7	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.019	24%	0.235	C	C	.	.			trans	-56.7	156.6	171.2	-22.3	29.8	0	0	0	112	W333 I450 Y497 L501	W333-P499 HydrophobicContact CD2-CG 4.32Å; W333-P499 HydrophobicContact CG-CG 4.03Å; I450-P499 HydrophobicContact CD1-CB 4.32Å; I450-P499 VanDerWaalsContact CD1-O 3.3Å; I450-P499 WeakPolarHBondContact CD1-O 3.45Å; I450-P499 HydrophobicContact CG2-CB 3.9Å; I450-P499 HydrophobicContact CG2-CG 3.67Å; Y497-P499 HydrophobicContact CD1-CG 4.22Å; Y497-P499 HydrophobicContact CE1-CB 4.18Å; Y497-P499 HydrophobicContact CE1-CG 3.68Å; P499-L501 PolarHBondContact O-N 3.36Å
500	D	83.4	Confident	89.7	Confident	42 Å²	42	46.9 Å²	46.9	23%	0.225	25%	0.251	C	S	.	.			trans	-59.7	126	175.8	-68.7	-24.7	0	0	0	109.9	R453 N502 P503 A548	R453-D500 PolarHBondContact NH1-O 3.22Å; D500-N502 PolarHBondContact O-N 3.1Å; D500-P503 HydrophobicContact CB-CB 4.27Å; D500-A548 PolarHBondContact OD2-N 3.2Å
501	L	85.1	Confident	89.7	Confident	48 Å²	48	42.3 Å²	42.3	25%	0.251	23%	0.226	S	C	.	.	S	Bend	trans	-54.7	-42.1	173.2	-73.6	171.5	0	0	0	110.4	E446 Y447 I450 R453 P499	E446-L501 HydrophobicContact CB-CD2 4.38Å; E446-L501 HydrophobicContact CG-CD1 3.65Å; E446-L501 HydrophobicContact CG-CD2 3.95Å; E446-L501 HydrophobicContact CG-CG 4.48Å; E446-L501 WeakPolarHBondContact O-CD2 3.37Å; Y447-L501 HydrophobicContact CD1-CD2 3.72Å; Y447-L501 HydrophobicContact CD1-CG 4.43Å; Y447-L501 HydrophobicContact CE1-CD1 4.49Å; Y447-L501 HydrophobicContact CE1-CD2 4.19Å; Y447-L501 HydrophobicContact CE1-CG 4.46Å; Y447-L501 HydrophobicContact CG-CD2 4.05Å; I450-L501 HydrophobicContact CD1-CD2 4.02Å; I450-L501 HydrophobicContact CG1-CD2 4.18Å; R453-L501 PolarHBondContact NH2-O 2.95Å; P499-L501 PolarHBondContact O-N 3.36Å
502	N	84.2	Confident	89.6	Confident	144 Å²	144	40.9 Å²	40.9	77%	0.77	22%	0.221	S	C	*	.	S	Bend	trans	-127.6	85.6	176.3	-58.3	-66.1	0	0	0	108.2	D500	D500-N502 PolarHBondContact O-N 3.1Å
503	P	83.4	Confident	89.4	Confident	20 Å²	20	41.2 Å²	41.2	13%	0.13	23%	0.231	C	C	.	.			trans	-62.8	154.3	177.1	30.8	-35.8	0	0	0	108.6	R453 D500 I505 E545	R453-P503 VanDerWaalsContact NH1-CG 3.31Å; D500-P503 HydrophobicContact CB-CB 4.27Å; P503-I505 VanDerWaalsContact C-N 3.27Å; P503-I505 PolarHBondContact O-N 3.33Å; P503-E545 HydrophobicContact CB-CB 4.48Å
504	V	87.4	Confident	89.2	Confident	87 Å²	87	43.1 Å²	43.1	53%	0.527	24%	0.24	S	C	.	.	S	Bend	trans	-58.6	-46.7	-178.9	-176.4	0	0	0	0	109.6	Y546	V504-Y546 HydrophobicContact CB-CD1 3.93Å; V504-Y546 HydrophobicContact CG1-CD1 4.05Å; V504-Y546 HydrophobicContact CG1-CE1 4.49Å; V504-Y546 HydrophobicContact CG2-CD1 4.45Å; V504-Y546 PolarHBondContact N-O 3.16Å
505	I	89	Confident	89.2	Confident	49 Å²	49	45.1 Å²	45.1	25%	0.251	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.9	173.2	-54.6	175.9	0	0	0	108.1	P503 Y546 I591 F629	P503-I505 VanDerWaalsContact C-N 3.27Å; P503-I505 PolarHBondContact O-N 3.33Å; I505-Y546 PolarHBondContact O-N 3.39Å; I505-I591 HydrophobicContact CD1-CD1 4.42Å; I505-F629 HydrophobicContact CG2-CB 4.15Å; I505-F629 HydrophobicContact CG2-CD1 4.49Å; I505-F629 HydrophobicContact CG2-CD2 3.6Å; I505-F629 HydrophobicContact CG2-CE2 4.12Å; I505-F629 HydrophobicContact CG2-CG 3.82Å
506	S	89.3	Confident	89.6	Confident	19 Å²	19	43.9 Å²	43.9	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.8	170.5	62.1	0	0	0	0	110.7	F544 Q631	S506-F544 CarbonylContact C-O 3.6Å; S506-F544 WeakPolarHBondContact CA-O 3.13Å; S506-Q631 WeakPolarHBondContact O-CA 3.38Å; S506-Q631 WeakPolarHBondContact O-CG 3.43Å
507	G	89.1	Confident	89.9	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.3	-131.2	178	0	0	0	0	0	111	Y543 F544 S630	G507-Y543 WeakPolarHBondContact O-CA 3.18Å; G507-F544 PolarHBondContact N-O 3.3Å; G507-F544 PolarHBondContact O-N 3.3Å; G507-S630 CarbonylContact C-O 3.59Å; G507-S630 VanDerWaalsContact CA-O 3.27Å; G507-S630 WeakPolarHBondContact CA-O 3.49Å
508	Y	91.9	Very high	90.5	Very high	52 Å²	52	42.6 Å²	42.6	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	155.6	179.8	60.9	-89.2	0	0	0	112.3	K510 C517 Q542 F629 S630 N632	Y508-K510 HydrophobicContact CD2-CB 4.07Å; Y508-K510 HydrophobicContact CE2-CB 4.07Å; Y508-C517 VanDerWaalsContact CD2-SG 3.53Å; Y508-Q542 WeakPolarHBondContact CA-O 3.33Å; Y508-F629 WeakPolarHBondContact O-CD2 3.24Å; Y508-S630 PolarHBondContact N-O 2.9Å; Y508-S630 PolarHBondContact O-N 3.16Å; Y508-N632 WeakPolarHBondContact CD1-OD1 3.48Å
509	I	95.7	Very high	90.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.6	179.3	-56.8	176.5	0	0	0	108.1	C517 L518 F544 I552 L597 W627 F629	I509-C517 CarbonylContact O-C 3.55Å; I509-C517 WeakPolarHBondContact O-CA 3.18Å; I509-L518 HydrophobicContact CB-CB 4.06Å; I509-L518 HydrophobicContact CB-CD2 4.5Å; I509-L518 HydrophobicContact CD1-CD2 4.09Å; I509-L518 HydrophobicContact CG2-CB 4.44Å; I509-L518 PolarHBondContact O-N 3.37Å; I509-F544 HydrophobicContact CD1-CB 3.81Å; I509-F544 HydrophobicContact CD1-CD1 4.4Å; I509-F544 HydrophobicContact CD1-CD2 4.03Å; I509-F544 HydrophobicContact CD1-CG 3.82Å; I509-F544 HydrophobicContact CG1-CB 4.17Å; I509-F544 HydrophobicContact CG1-CD2 4.13Å; I509-F544 HydrophobicContact CG1-CG 4.3Å; I509-I552 HydrophobicContact CD1-CG2 3.7Å; I509-L597 HydrophobicContact CG2-CD1 4.01Å; I509-W627 HydrophobicContact CG2-CB 4.1Å; I509-W627 HydrophobicContact CG2-CD2 4.12Å; I509-W627 HydrophobicContact CG2-CE3 3.6Å; I509-W627 HydrophobicContact CG2-CG 4.37Å; I509-W627 HydrophobicContact CG2-CZ3 4.27Å; I509-F629 HydrophobicContact CD1-CD1 4.07Å; I509-F629 HydrophobicContact CD1-CE1 3.64Å; I509-F629 HydrophobicContact CD1-CE2 4.49Å; I509-F629 HydrophobicContact CD1-CZ 3.89Å; I509-F629 HydrophobicContact CG1-CD1 3.85Å; I509-F629 HydrophobicContact CG1-CD2 3.97Å; I509-F629 HydrophobicContact CG1-CE1 3.75Å; I509-F629 HydrophobicContact CG1-CE2 3.86Å; I509-F629 HydrophobicContact CG1-CG 3.96Å; I509-F629 HydrophobicContact CG1-CZ 3.76Å
510	K	95.9	Very high	91.2	Very high	80 Å²	80	40.6 Å²	40.6	35%	0.348	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.3	-176.3	179.9	176.8	179	-177.6	0	111.3	Y508 W627 I628	Y508-K510 HydrophobicContact CD2-CB 4.07Å; Y508-K510 HydrophobicContact CE2-CB 4.07Å; K510-W627 CarbonylContact O-C 3.52Å; K510-W627 WeakPolarHBondContact O-CA 3.22Å; K510-I628 PolarHBondContact N-O 3.09Å; K510-I628 PolarHBondContact O-N 3.47Å
511	S	95.7	Very high	91.5	Very high	1 Å²	1	39 Å²	39	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143	171.2	-175.7	0	0	0	0	111.2	G513 Q514 L516 A608	S511-G513 PolarHBondContact OG-N 3.01Å; S511-Q514 CarbonylContact C-O 3.01Å; S511-L516 PolarHBondContact N-O 3.49Å; S511-A608 WeakPolarHBondContact OG-CB 3.45Å
512	V	94.9	Very high	91.5	Very high	65 Å²	65	44.6 Å²	44.6	39%	0.394	25%	0.248	S	C	.	.	S	Bend	trans	-81	-36.2	172.3	176.8	0	0	0	0	111.2	Q514 K626 I628	V512-Q514 VanDerWaalsContact C-N 3.3Å; V512-Q514 PolarHBondContact O-N 2.91Å; V512-K626 HydrophobicContact CB-CB 3.74Å; V512-K626 HydrophobicContact CG1-CB 4.45Å; V512-K626 HydrophobicContact CG2-CB 3.66Å; V512-K626 PolarHBondContact N-O 2.74Å; V512-I628 HydrophobicContact CG2-CD1 3.99Å; V512-I628 HydrophobicContact CG2-CG1 3.74Å
513	G	92.7	Very high	91.2	Very high	35 Å²	35	43.8 Å²	43.8	36%	0.361	24%	0.244	S	C	.	.	S	Bend	trans	-74	-17.4	-177.6	0	0	0	0	0	114.7	S511 P623	S511-G513 PolarHBondContact OG-N 3.01Å; G513-P623 WeakPolarHBondContact CA-O 3.15Å; G513-P623 PolarHBondContact N-O 2.72Å
514	Q	92.4	Very high	91.2	Very high	47 Å²	47	43.3 Å²	43.3	22%	0.22	24%	0.24	C	C	.	.	S	Bend	trans	-148.5	150.1	177	59.6	-172.9	6.8	0	0	111.3	S511 V512 L516 A608 L624	S511-Q514 CarbonylContact C-O 3.01Å; V512-Q514 VanDerWaalsContact C-N 3.3Å; V512-Q514 PolarHBondContact O-N 2.91Å; Q514-L516 HydrophobicContact CG-CB 4.17Å; Q514-L516 HydrophobicContact CG-CD1 4.36Å; Q514-L516 HydrophobicContact CG-CG 4.3Å; Q514-L516 PolarHBondContact O-N 2.97Å; Q514-A608 PolarHBondContact NE2-O 3.4Å; Q514-L624 HydrophobicContact CG-CD2 4.28Å
515	P	91.6	Very high	90.8	Very high	105 Å²	105	43.1 Å²	43.1	68%	0.682	23%	0.233	S	C	*	.	S	Bend	trans	-77.5	41.2	-176.5	35	-37.9	0	0	0	112.9
516	L	95.8	Very high	90.5	Very high	45 Å²	45	42.2 Å²	42.2	24%	0.236	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.2	-177.4	-56.1	178.1	0	0	0	110.6	S511 Q514 M532 Y533	S511-L516 PolarHBondContact N-O 3.49Å; Q514-L516 HydrophobicContact CG-CB 4.17Å; Q514-L516 HydrophobicContact CG-CD1 4.36Å; Q514-L516 HydrophobicContact CG-CG 4.3Å; Q514-L516 PolarHBondContact O-N 2.97Å; L516-M532 HydrophobicContact CB-CB 4.1Å; L516-M532 HydrophobicContact CB-CE 3.73Å; L516-M532 HydrophobicContact CD1-CB 3.82Å; L516-Y533 CarbonylContact C-O 3.58Å; L516-Y533 VanDerWaalsContact CA-O 3.3Å; L516-Y533 WeakPolarHBondContact CA-O 3.44Å; L516-Y533 WeakPolarHBondContact CB-O 3.13Å
517	C	95.5	Very high	90.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.4	176.8	-78.3	0	0	0	0	110.2	Y508 I509 D519 Y533 C535	Y508-C517 VanDerWaalsContact CD2-SG 3.53Å; I509-C517 CarbonylContact O-C 3.55Å; I509-C517 WeakPolarHBondContact O-CA 3.18Å; C517-D519 PolarHBondContact O-N 2.56Å; C517-Y533 PolarHBondContact N-O 3Å; C517-Y533 PolarHBondContact O-N 3.36Å; C517-C535 VanDerWaalsContact CA-SG 3.6Å; C517-C535 HydrophobicContact CB-CB 4.02Å; C517-C535 WeakPolarHBondContact CB-SG 3.48Å; C517-C535 PolarHBondContact N-SG 3.48Å; C517-C535 WeakPolarHBondContact SG-CB 3.37Å; C517-C535 CovalentContact SG-SG 2.04Å; C517-C535 PolarHBondContact SG-SG 2.61Å
518	L	95.9	Very high	90.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	130.7	167.1	-170.4	65.4	0	0	0	108.5	I509 L530 M532 F544 L562 P613 W627	I509-L518 HydrophobicContact CB-CB 4.06Å; I509-L518 HydrophobicContact CB-CD2 4.5Å; I509-L518 HydrophobicContact CD1-CD2 4.09Å; I509-L518 HydrophobicContact CG2-CB 4.44Å; I509-L518 PolarHBondContact O-N 3.37Å; L518-L530 HydrophobicContact CD1-CB 4.03Å; L518-L530 HydrophobicContact CD1-CD2 3.73Å; L518-L530 HydrophobicContact CD2-CD2 3.85Å; L518-L530 HydrophobicContact CG-CD2 3.7Å; L518-M532 HydrophobicContact CD1-SD 4.5Å; L518-F544 HydrophobicContact CB-CE2 4.08Å; L518-F544 HydrophobicContact CB-CZ 4.42Å; L518-F544 HydrophobicContact CD2-CE1 4.08Å; L518-F544 HydrophobicContact CD2-CE2 4.02Å; L518-F544 HydrophobicContact CD2-CZ 3.73Å; L518-F544 HydrophobicContact CG-CE2 4Å; L518-F544 HydrophobicContact CG-CZ 3.83Å; L518-F544 WeakPolarHBondContact O-CE2 3.48Å; L518-L562 HydrophobicContact CD2-CD1 4.42Å; L518-P613 HydrophobicContact CD1-CB 4.15Å; L518-P613 HydrophobicContact CD1-CG 3.51Å; L518-W627 HydrophobicContact CB-CZ3 4.35Å
519	D	94.5	Very high	90.2	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.032	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.7	-175.8	-166.1	-56.1	0	0	0	109.3	C517 G521 L530 I531 H536 N541 Q542	C517-D519 PolarHBondContact O-N 2.56Å; D519-G521 PolarHBondContact O-N 2.71Å; D519-G521 PolarHBondContact OD1-N 3.16Å; D519-L530 WeakPolarHBondContact O-CB 3.38Å; D519-I531 HydrophobicContact CB-CG1 3.9Å; D519-I531 PolarHBondContact N-O 2.9Å; D519-I531 PolarHBondContact O-N 3.3Å; D519-H536 IonicContact OD2-NE2 2.96Å; D519-N541 WeakPolarHBondContact OD1-CB 3.13Å; D519-Q542 HydrophobicContact CB-CG 4.1Å; D519-Q542 WeakPolarHBondContact OD2-CG 3.41Å; D519-Q542 PolarHBondContact OD2-NE2 3.27Å
520	V	92.5	Very high	90.1	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.024	28%	0.275	C	S	.	.			trans	-72.4	-16.5	-178.3	-55.3	0	0	0	0	112.9	N524 N541 F544 H554 L571	V520-N524 HydrophobicContact CB-CB 4.24Å; V520-N524 WeakPolarHBondContact O-CB 3.41Å; V520-N524 PolarHBondContact O-ND2 3.25Å; V520-N541 HydrophobicContact CG2-CB 3.74Å; V520-N541 PolarHBondContact N-O 2.82Å; V520-N541 VanDerWaalsContact N-O 3.15Å; V520-F544 HydrophobicContact CG1-CE1 4.16Å; V520-F544 HydrophobicContact CG1-CZ 3.79Å; V520-H554 HydrophobicContact CG1-CB 4.21Å; V520-L571 HydrophobicContact CB-CD1 3.93Å; V520-L571 HydrophobicContact CG1-CD1 3.41Å; V520-L571 VanDerWaalsContact CG1-CD1 3.41Å
521	G	89.9	Confident	90.1	Very high	9 Å²	9	46 Å²	46	9%	0.093	27%	0.27	C	S	.	.			trans	74.6	176.1	-176.2	0	0	0	0	0	113.3	D519	D519-G521 PolarHBondContact O-N 2.71Å; D519-G521 PolarHBondContact OD1-N 3.16Å
522	E	84.1	Confident	90.1	Very high	165 Å²	165	47 Å²	47	77%	0.771	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	134.1	-177.7	-65.6	-174.2	176.5	0	0	112.4	N524	E522-N524 VanDerWaalsContact C-N 3.29Å; E522-N524 PolarHBondContact O-N 3.32Å
523	N	78.2	Confident	90.1	Very high	126 Å²	126	49.9 Å²	49.9	67%	0.674	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	40.6	173.8	-61.7	-47.4	0	0	0	113.6	Q525 K528	N523-Q525 PolarHBondContact O-N 3.17Å; N523-K528 PolarHBondContact O-NZ 3.24Å
524	N	82.4	Confident	90.2	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.059	29%	0.288	C	S	.	.			trans	-85.8	96.2	174.1	-164.7	-17.4	0	0	0	111.1	V520 E522 G526 K528	V520-N524 HydrophobicContact CB-CB 4.24Å; V520-N524 WeakPolarHBondContact O-CB 3.41Å; V520-N524 PolarHBondContact O-ND2 3.25Å; E522-N524 VanDerWaalsContact C-N 3.29Å; E522-N524 PolarHBondContact O-N 3.32Å; N524-G526 VanDerWaalsContact C-N 3.33Å; N524-G526 PolarHBondContact OD1-N 3.07Å; N524-K528 PolarHBondContact ND2-O 3.36Å
525	Q	79.2	Confident	90.1	Very high	82 Å²	82	52.2 Å²	52.2	38%	0.383	29%	0.291	S	S	.	.			trans	-96.3	14.5	179.9	-67.6	-66.7	-25.3	0	0	112.6	N523 K558	N523-Q525 PolarHBondContact O-N 3.17Å; Q525-K558 VanDerWaalsContact OE1-CD 3.24Å; Q525-K558 VanDerWaalsContact OE1-NZ 3.11Å
526	G	83.8	Confident	89.9	Confident	31 Å²	31	50.6 Å²	50.6	32%	0.32	27%	0.274	S	S	.	.	S	Bend	trans	103.7	146.5	-168.7	0	0	0	0	0	112.6	N524 K528 L571	N524-G526 VanDerWaalsContact C-N 3.33Å; N524-G526 PolarHBondContact OD1-N 3.07Å; G526-K528 VanDerWaalsContact C-N 3.34Å; G526-K528 PolarHBondContact O-N 3.3Å; G526-L571 CarbonylContact C-O 3.55Å; G526-L571 VanDerWaalsContact CA-O 3.3Å; G526-L571 WeakPolarHBondContact CA-O 3.45Å
527	G	83.4	Confident	89.2	Confident	46 Å²	46	50.3 Å²	50.3	47%	0.474	28%	0.283	S	S	.	.	S	Bend	trans	84.7	-6.8	176.7	0	0	0	0	0	115.8	L571	G527-L571 PolarHBondContact N-O 3.41Å
528	K	88.6	Confident	88.4	Confident	100 Å²	100	56.5 Å²	56.5	44%	0.435	32%	0.315	S	S	.	.	S	Bend	trans	-95.9	148.7	173.5	-65.4	-178.8	-178.8	172.5	0	111.3	N523 N524 G526	N523-K528 PolarHBondContact O-NZ 3.24Å; N524-K528 PolarHBondContact ND2-O 3.36Å; G526-K528 VanDerWaalsContact C-N 3.34Å; G526-K528 PolarHBondContact O-N 3.3Å
529	P	90.5	Very high	87.7	Confident	41 Å²	41	56.7 Å²	56.7	27%	0.266	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-65.4	154.1	171.5	30.1	-34.8	0	0	0	110.8	L568 H612	P529-L568 HydrophobicContact CB-CB 4.3Å; P529-L568 HydrophobicContact CB-CD1 3.99Å; P529-L568 HydrophobicContact CG-CD1 4.41Å; P529-H612 HydrophobicContact CB-CB 4.32Å
530	L	94.6	Very high	87.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-80.2	167.3	171.5	-67.8	81.9	0	0	0	110	L518 D519 F544 L562 V569 L571 H612 P613	L518-L530 HydrophobicContact CD1-CB 4.03Å; L518-L530 HydrophobicContact CD1-CD2 3.73Å; L518-L530 HydrophobicContact CD2-CD2 3.85Å; L518-L530 HydrophobicContact CG-CD2 3.7Å; D519-L530 WeakPolarHBondContact O-CB 3.38Å; L530-F544 HydrophobicContact CD2-CE1 4.2Å; L530-F544 HydrophobicContact CD2-CZ 3.99Å; L530-L562 HydrophobicContact CD1-CD1 3.86Å; L530-L562 HydrophobicContact CD2-CD1 3.64Å; L530-L562 HydrophobicContact CG-CD1 4.44Å; L530-V569 HydrophobicContact CD1-CG1 4.37Å; L530-V569 WeakPolarHBondContact CD1-O 3.26Å; L530-L571 HydrophobicContact CD1-CG 4.05Å; L530-L571 HydrophobicContact CD2-CG 4.42Å; L530-L571 HydrophobicContact CG-CG 4.39Å; L530-H612 PolarHBondContact O-ND1 3.41Å; L530-P613 HydrophobicContact CB-CG 4.32Å; L530-P613 WeakPolarHBondContact O-CD 3.46Å
531	I	95.4	Very high	86.9	Confident	45 Å²	45	61.2 Å²	61.2	23%	0.231	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	166	175.1	67.2	177.1	0	0	0	110.4	D519 Y533	D519-I531 HydrophobicContact CB-CG1 3.9Å; D519-I531 PolarHBondContact N-O 2.9Å; D519-I531 PolarHBondContact O-N 3.3Å; I531-Y533 HydrophobicContact CD1-CD2 4.26Å
532	M	95.5	Very high	87	Confident	22 Å²	22	60.8 Å²	60.8	11%	0.108	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.4	165	-63.4	-58.4	-53.2	0	0	108.9	L516 L518 A608 P613 W627	L516-M532 HydrophobicContact CB-CB 4.1Å; L516-M532 HydrophobicContact CB-CE 3.73Å; L516-M532 HydrophobicContact CD1-CB 3.82Å; L518-M532 HydrophobicContact CD1-SD 4.5Å; M532-A608 HydrophobicContact CE-CB 4.11Å; M532-A608 HydrophobicContact SD-CB 4.08Å; M532-P613 HydrophobicContact CG-CG 4.23Å; M532-P613 HydrophobicContact SD-CG 3.79Å; M532-W627 HydrophobicContact CE-CH2 3.94Å; M532-W627 HydrophobicContact CE-CZ3 3.85Å; M532-W627 HydrophobicContact SD-CH2 3.69Å; M532-W627 HydrophobicContact SD-CZ3 4.11Å
533	Y	95.1	Very high	87.3	Confident	127 Å²	127	53.3 Å²	53.3	50%	0.498	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.7	-177.7	-159.3	-99.9	0	0	0	112.2	L516 C517 I531 C535	L516-Y533 CarbonylContact C-O 3.58Å; L516-Y533 VanDerWaalsContact CA-O 3.3Å; L516-Y533 WeakPolarHBondContact CA-O 3.44Å; L516-Y533 WeakPolarHBondContact CB-O 3.13Å; C517-Y533 PolarHBondContact N-O 3Å; C517-Y533 PolarHBondContact O-N 3.36Å; I531-Y533 HydrophobicContact CD1-CD2 4.26Å; Y533-C535 PolarHBondContact O-N 2.91Å
534	T	94.9	Very high	87.9	Confident	89 Å²	89	47.3 Å²	47.3	55%	0.546	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	126.2	176.2	-55.7	0	0	0	0	110.1	H536 Q542	T534-H536 PolarHBondContact O-N 3.11Å; T534-H536 VanDerWaalsContact O-N 3.1Å; T534-Q542 PolarHBondContact O-NE2 3.5Å
535	C	91.6	Very high	88.4	Confident	41 Å²	41	46.9 Å²	46.9	28%	0.277	28%	0.277	S	S	.	.			trans	-62.1	113.1	177.1	-63	0	0	0	0	110.1	C517 Y533	C517-C535 VanDerWaalsContact CA-SG 3.6Å; C517-C535 HydrophobicContact CB-CB 4.02Å; C517-C535 WeakPolarHBondContact CB-SG 3.48Å; C517-C535 PolarHBondContact N-SG 3.48Å; C517-C535 WeakPolarHBondContact SG-CB 3.37Å; C517-C535 CovalentContact SG-SG 2.04Å; C517-C535 PolarHBondContact SG-SG 2.61Å; Y533-C535 PolarHBondContact O-N 2.91Å
536	H	86.6	Confident	89	Confident	71 Å²	71	43.9 Å²	43.9	33%	0.329	26%	0.262	S	S	.	.			trans	-107.3	-13.9	-176.5	56.5	69.7	0	0	0	113.6	D519 T534 L538 G539 Q542	D519-H536 IonicContact OD2-NE2 2.96Å; T534-H536 PolarHBondContact O-N 3.11Å; T534-H536 VanDerWaalsContact O-N 3.1Å; H536-L538 HydrophobicContact CB-CD1 4.31Å; H536-L538 HydrophobicContact CB-CG 4.18Å; H536-L538 VanDerWaalsContact ND1-CB 3.27Å; H536-L538 WeakPolarHBondContact ND1-CB 3.18Å; H536-L538 WeakPolarHBondContact ND1-CG 3.32Å; H536-L538 PolarHBondContact ND1-N 3.22Å; H536-L538 VanDerWaalsContact ND1-N 3.11Å; H536-L538 WeakPolarHBondContact O-CG 2.99Å; H536-L538 PolarHBondContact O-N 2.99Å; H536-G539 PolarHBondContact CE1-O 3.08Å; H536-Q542 PolarHBondContact CD2-NE2 3.37Å; H536-Q542 PolarHBondContact CD2-OE1 3.48Å; H536-Q542 VanDerWaalsContact N-OE1 3.08Å; H536-Q542 WeakPolarHBondContact NE2-CG 3.46Å; H536-Q542 PolarHBondContact NE2-NE2 2.82Å; H536-Q542 PolarHBondContact NE2-OE1 2.78Å
537	G	80.9	Confident	89.3	Confident	40 Å²	40	42.5 Å²	42.5	41%	0.412	25%	0.248	S	C	.	.	S	Bend	trans	66.6	16.7	176.1	0	0	0	0	0	114.5
538	L	78.1	Confident	89.5	Confident	129 Å²	129	43.1 Å²	43.1	68%	0.675	25%	0.248	S	C	*	.			trans	-94.6	4	-176.9	-51.9	174.8	0	0	0	112.7	H536 G540	H536-L538 HydrophobicContact CB-CD1 4.31Å; H536-L538 HydrophobicContact CB-CG 4.18Å; H536-L538 VanDerWaalsContact ND1-CB 3.27Å; H536-L538 WeakPolarHBondContact ND1-CB 3.18Å; H536-L538 WeakPolarHBondContact ND1-CG 3.32Å; H536-L538 PolarHBondContact ND1-N 3.22Å; H536-L538 VanDerWaalsContact ND1-N 3.11Å; H536-L538 WeakPolarHBondContact O-CG 2.99Å; H536-L538 PolarHBondContact O-N 2.99Å; L538-G540 PolarHBondContact O-N 3.34Å
539	G	82.2	Confident	89.6	Confident	6 Å²	6	41.3 Å²	41.3	6%	0.062	24%	0.241	C	C	.	.			trans	65.1	-123.4	-168.7	0	0	0	0	0	111.1	H536 N541 Q542	H536-G539 PolarHBondContact CE1-O 3.08Å; G539-N541 PolarHBondContact O-N 3.35Å; G539-Q542 PolarHBondContact O-N 3Å
540	G	82.4	Confident	89.7	Confident	39 Å²	39	43.2 Å²	43.2	40%	0.402	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	53.8	-120.7	177.8	0	0	0	0	0	111.8	L538 Q542 Y543 H554	L538-G540 PolarHBondContact O-N 3.34Å; G540-Q542 PolarHBondContact O-N 3.48Å; G540-Y543 VanDerWaalsContact O-CB 3.24Å; G540-Y543 WeakPolarHBondContact O-CB 3.48Å; G540-Y543 PolarHBondContact O-N 2.79Å; G540-Y543 VanDerWaalsContact O-N 3.08Å; G540-H554 PolarHBondContact O-CE1 3.11Å; G540-H554 VanDerWaalsContact O-CE1 3.31Å
541	N	88.6	Confident	89.7	Confident	65 Å²	65	43.2 Å²	43.2	35%	0.348	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.9	-19.5	179.6	-70	-1.7	0	0	0	114.6	D519 V520 G539	D519-N541 WeakPolarHBondContact OD1-CB 3.13Å; V520-N541 HydrophobicContact CG2-CB 3.74Å; V520-N541 PolarHBondContact N-O 2.82Å; V520-N541 VanDerWaalsContact N-O 3.15Å; G539-N541 PolarHBondContact O-N 3.35Å
542	Q	91.4	Very high	89.7	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-98.9	6.7	177.6	-65.8	-176.6	-1.2	0	0	112.7	Y508 D519 T534 H536 G539 G540 F544	Y508-Q542 WeakPolarHBondContact CA-O 3.33Å; D519-Q542 HydrophobicContact CB-CG 4.1Å; D519-Q542 WeakPolarHBondContact OD2-CG 3.41Å; D519-Q542 PolarHBondContact OD2-NE2 3.27Å; T534-Q542 PolarHBondContact O-NE2 3.5Å; H536-Q542 PolarHBondContact CD2-NE2 3.37Å; H536-Q542 PolarHBondContact CD2-OE1 3.48Å; H536-Q542 VanDerWaalsContact N-OE1 3.08Å; H536-Q542 WeakPolarHBondContact NE2-CG 3.46Å; H536-Q542 PolarHBondContact NE2-NE2 2.82Å; H536-Q542 PolarHBondContact NE2-OE1 2.78Å; G539-Q542 PolarHBondContact O-N 3Å; G540-Q542 PolarHBondContact O-N 3.48Å; Q542-F544 WeakPolarHBondContact O-CD2 3.48Å
543	Y	89	Confident	89.6	Confident	7 Å²	7	40.1 Å²	40.1	3%	0.027	23%	0.23	C	C	.	.			trans	-81.5	125.4	179	-177.2	-95.4	0	0	0	111.8	R453 G507 G540 E545 H554 I556	R453-Y543 WeakPolarHBondContact CD-OH 3.1Å; R453-Y543 HydrophobicContact CG-CE2 4.11Å; R453-Y543 WeakPolarHBondContact CG-OH 3.28Å; G507-Y543 WeakPolarHBondContact O-CA 3.18Å; G540-Y543 VanDerWaalsContact O-CB 3.24Å; G540-Y543 WeakPolarHBondContact O-CB 3.48Å; G540-Y543 PolarHBondContact O-N 2.79Å; G540-Y543 VanDerWaalsContact O-N 3.08Å; Y543-E545 HydrophobicContact CE1-CG 3.62Å; Y543-E545 WeakPolarHBondContact OH-CG 3.36Å; Y543-E545 PolarHBondContact OH-OE1 3.47Å; Y543-H554 PolarHBondContact O-ND1 3.45Å; Y543-I556 HydrophobicContact CD1-CD1 3.33Å; Y543-I556 HydrophobicContact CD1-CG1 3.95Å; Y543-I556 HydrophobicContact CE1-CD1 3.92Å; Y543-I556 HydrophobicContact CG-CD1 3.72Å; Y543-I556 HydrophobicContact CG-CG1 4.35Å
544	F	92.3	Very high	89.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148	172	-63	-86.8	0	0	0	111.4	S506 G507 I509 L518 V520 L530 Q542 I552 R553 H554 F629	S506-F544 CarbonylContact C-O 3.6Å; S506-F544 WeakPolarHBondContact CA-O 3.13Å; G507-F544 PolarHBondContact N-O 3.3Å; G507-F544 PolarHBondContact O-N 3.3Å; I509-F544 HydrophobicContact CD1-CB 3.81Å; I509-F544 HydrophobicContact CD1-CD1 4.4Å; I509-F544 HydrophobicContact CD1-CD2 4.03Å; I509-F544 HydrophobicContact CD1-CG 3.82Å; I509-F544 HydrophobicContact CG1-CB 4.17Å; I509-F544 HydrophobicContact CG1-CD2 4.13Å; I509-F544 HydrophobicContact CG1-CG 4.3Å; L518-F544 HydrophobicContact CB-CE2 4.08Å; L518-F544 HydrophobicContact CB-CZ 4.42Å; L518-F544 HydrophobicContact CD2-CE1 4.08Å; L518-F544 HydrophobicContact CD2-CE2 4.02Å; L518-F544 HydrophobicContact CD2-CZ 3.73Å; L518-F544 HydrophobicContact CG-CE2 4Å; L518-F544 HydrophobicContact CG-CZ 3.83Å; L518-F544 WeakPolarHBondContact O-CE2 3.48Å; V520-F544 HydrophobicContact CG1-CE1 4.16Å; V520-F544 HydrophobicContact CG1-CZ 3.79Å; L530-F544 HydrophobicContact CD2-CE1 4.2Å; L530-F544 HydrophobicContact CD2-CZ 3.99Å; Q542-F544 WeakPolarHBondContact O-CD2 3.48Å; F544-I552 HydrophobicContact CB-CG2 4.18Å; F544-I552 HydrophobicContact CD1-CG2 3.8Å; F544-I552 HydrophobicContact CG-CG2 4.27Å; F544-R553 CarbonylContact C-O 3.52Å; F544-R553 WeakPolarHBondContact CA-O 3.41Å; F544-H554 HydrophobicContact CD1-CB 4.07Å; F544-H554 HydrophobicContact CE1-CB 3.95Å; F544-F629 HydrophobicContact CB-CE2 4.24Å; F544-F629 HydrophobicContact CB-CZ 3.66Å; F544-F629 WeakPolarHBondContact O-CE2 3.38Å; F544-F629 WeakPolarHBondContact O-CZ 3.32Å
545	E	92	Very high	88.9	Confident	3 Å²	3	30.7 Å²	30.7	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.9	170.2	-69.6	179.7	169.1	0	0	109.8	R453 R454 P503 Y543 I552 R553 N555	R453-E545 IonicContact NH1-OE1 3.53Å; R453-E545 PolarHBondContact NH1-OE1 3.39Å; R453-E545 VanDerWaalsContact NH1-OE1 3.14Å; R454-E545 IonicContact CZ-OE1 2.84Å; R454-E545 IonicContact NH1-OE1 3.54Å; R454-E545 PolarHBondContact NH1-OE1 2.89Å; R454-E545 VanDerWaalsContact NH2-CD 3.32Å; R454-E545 IonicContact NH2-OE1 3.46Å; R454-E545 PolarHBondContact NH2-OE1 2.88Å; R454-E545 IonicContact NH2-OE2 3.48Å; R454-E545 PolarHBondContact NH2-OE2 2.75Å; R454-E545 VanDerWaalsContact NH2-OE2 3.13Å; P503-E545 HydrophobicContact CB-CB 4.48Å; Y543-E545 HydrophobicContact CE1-CG 3.62Å; Y543-E545 WeakPolarHBondContact OH-CG 3.36Å; Y543-E545 PolarHBondContact OH-OE1 3.47Å; E545-I552 CarbonylContact O-C 3.59Å; E545-I552 WeakPolarHBondContact O-CA 3.49Å; E545-R553 HydrophobicContact CB-CB 4.38Å; E545-R553 PolarHBondContact N-O 3.15Å; E545-R553 PolarHBondContact O-N 2.79Å; E545-N555 PolarHBondContact OE2-ND2 3.48Å; E545-N555 PolarHBondContact OE2-OD1 2.92Å
546	Y	92.9	Very high	88.1	Confident	19 Å²	19	30.1 Å²	30.1	8%	0.075	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.4	167.4	-171.9	-115.6	0	0	0	109.3	V504 I505 H550 E551 I552 W589 I591	V504-Y546 HydrophobicContact CB-CD1 3.93Å; V504-Y546 HydrophobicContact CG1-CD1 4.05Å; V504-Y546 HydrophobicContact CG1-CE1 4.49Å; V504-Y546 HydrophobicContact CG2-CD1 4.45Å; V504-Y546 PolarHBondContact N-O 3.16Å; I505-Y546 PolarHBondContact O-N 3.39Å; Y546-H550 HydrophobicContact CE2-CB 4.38Å; Y546-H550 PolarHBondContact OH-CD2 3.12Å; Y546-E551 WeakPolarHBondContact CA-O 3.4Å; Y546-I552 HydrophobicContact CD2-CG1 3.98Å; Y546-W589 VanDerWaalsContact CE2-O 3.3Å; Y546-W589 WeakPolarHBondContact CE2-O 3.33Å; Y546-W589 PolarHBondContact OH-O 2.93Å; Y546-I591 HydrophobicContact CD1-CD1 3.89Å; Y546-I591 HydrophobicContact CD2-CD1 4.04Å; Y546-I591 HydrophobicContact CD2-CG1 4.39Å; Y546-I591 HydrophobicContact CE1-CD1 4.11Å; Y546-I591 HydrophobicContact CE1-CG1 4.39Å; Y546-I591 HydrophobicContact CE2-CD1 4.23Å; Y546-I591 HydrophobicContact CE2-CG1 4.12Å; Y546-I591 HydrophobicContact CG-CD1 3.87Å
547	S	90.1	Very high	87.2	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.014	19%	0.192	C	C	.	.			trans	-81.5	161.3	-174.8	75.6	0	0	0	0	112.7	Q549 H550 E551	S547-Q549 PolarHBondContact O-N 3.47Å; S547-Q549 VanDerWaalsContact O-N 3.15Å; S547-Q549 PolarHBondContact OG-N 3.07Å; S547-H550 PolarHBondContact O-N 2.71Å; S547-H550 PolarHBondContact OG-N 3.13Å; S547-E551 PolarHBondContact N-O 2.84Å; S547-E551 WeakPolarHBondContact OG-CB 3.29Å; S547-E551 PolarHBondContact OG-N 3.21Å; S547-E551 PolarHBondContact OG-OE2 3.17Å
548	A	87.5	Confident	86.9	Confident	59 Å²	59	35.8 Å²	35.8	49%	0.488	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	170.5	0	0	0	0	0	113.1	D500 H550	D500-A548 PolarHBondContact OD2-N 3.2Å; A548-H550 VanDerWaalsContact C-N 3.29Å
549	Q	89.6	Confident	87.2	Confident	61 Å²	61	32.1 Å²	32.1	29%	0.285	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	12.1	176.6	-66.3	73.9	34.2	0	0	113.4	S547 E551 Y576 V583	S547-Q549 PolarHBondContact O-N 3.47Å; S547-Q549 VanDerWaalsContact O-N 3.15Å; S547-Q549 PolarHBondContact OG-N 3.07Å; Q549-E551 VanDerWaalsContact C-N 3.33Å; Q549-E551 PolarHBondContact O-N 2.85Å; Q549-Y576 HydrophobicContact CG-CD1 4.09Å; Q549-Y576 HydrophobicContact CG-CE1 3.84Å; Q549-V583 HydrophobicContact CB-CG2 3.71Å; Q549-V583 HydrophobicContact CG-CG2 4.26Å
550	H	93.8	Very high	87.6	Confident	82 Å²	82	32.1 Å²	32.1	38%	0.38	17%	0.171	S	C	.	.	S	Bend	trans	65.9	30.5	178	-58.8	-174.6	0	0	0	113.7	Y546 S547 A548 I588 W589	Y546-H550 HydrophobicContact CE2-CB 4.38Å; Y546-H550 PolarHBondContact OH-CD2 3.12Å; S547-H550 PolarHBondContact O-N 2.71Å; S547-H550 PolarHBondContact OG-N 3.13Å; A548-H550 VanDerWaalsContact C-N 3.29Å; H550-I588 HydrophobicContact CB-CG2 4.04Å; H550-I588 CarbonylContact O-C 3.53Å; H550-I588 WeakPolarHBondContact O-CA 3.47Å; H550-W589 WeakPolarHBondContact CB-O 3.18Å; H550-W589 PolarHBondContact O-N 3.16Å
551	E	94.6	Very high	88.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.			trans	-96.9	142.6	173	-61.6	159.1	112.6	0	0	110.4	Y546 S547 Q549 R553 C561 Y576 V583	Y546-E551 WeakPolarHBondContact CA-O 3.4Å; S547-E551 PolarHBondContact N-O 2.84Å; S547-E551 WeakPolarHBondContact OG-CB 3.29Å; S547-E551 PolarHBondContact OG-N 3.21Å; S547-E551 PolarHBondContact OG-OE2 3.17Å; Q549-E551 VanDerWaalsContact C-N 3.33Å; Q549-E551 PolarHBondContact O-N 2.85Å; E551-R553 HydrophobicContact CB-CG 3.94Å; E551-R553 IonicContact OE1-CZ 3.12Å; E551-R553 IonicContact OE1-NE 3.97Å; E551-R553 IonicContact OE1-NH2 2.97Å; E551-R553 PolarHBondContact OE1-NH2 2.86Å; E551-R553 IonicContact OE2-CZ 3.68Å; E551-R553 IonicContact OE2-NE 2.92Å; E551-R553 PolarHBondContact OE2-NE 2.86Å; E551-R553 IonicContact OE2-NH2 3.13Å; E551-R553 PolarHBondContact OE2-NH2 2.94Å; E551-C561 PolarHBondContact OE1-SG 3.49Å; E551-C561 VanDerWaalsContact OE1-SG 3.41Å; E551-Y576 WeakPolarHBondContact OE1-CB 3.38Å; E551-V583 HydrophobicContact CG-CG1 3.6Å; E551-V583 HydrophobicContact CG-CG2 4.33Å
552	I	95.5	Very high	88.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	104.9	166.3	-62.9	171	0	0	0	107.3	I509 F544 E545 Y546 C561 L562 W589 L597	I509-I552 HydrophobicContact CD1-CG2 3.7Å; F544-I552 HydrophobicContact CB-CG2 4.18Å; F544-I552 HydrophobicContact CD1-CG2 3.8Å; F544-I552 HydrophobicContact CG-CG2 4.27Å; E545-I552 CarbonylContact O-C 3.59Å; E545-I552 WeakPolarHBondContact O-CA 3.49Å; Y546-I552 HydrophobicContact CD2-CG1 3.98Å; I552-C561 WeakPolarHBondContact O-CA 2.98Å; I552-L562 HydrophobicContact CB-CB 3.86Å; I552-L562 HydrophobicContact CB-CD2 4.22Å; I552-L562 HydrophobicContact CD1-CD2 3.91Å; I552-L562 HydrophobicContact CG2-CB 4.13Å; I552-L562 HydrophobicContact CG2-CD2 4.23Å; I552-L562 WeakPolarHBondContact O-CB 3.33Å; I552-L562 PolarHBondContact O-N 2.72Å; I552-W589 HydrophobicContact CD1-CB 3.74Å; I552-W589 HydrophobicContact CD1-CD2 4.22Å; I552-W589 HydrophobicContact CD1-CG 3.78Å; I552-W589 HydrophobicContact CG1-CB 4.01Å; I552-W589 HydrophobicContact CG1-CG 4.14Å; I552-L597 HydrophobicContact CD1-CD1 4.19Å; I552-L597 HydrophobicContact CD1-CD2 4.15Å
553	R	92.7	Very high	88.7	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.4	-171.8	-65.6	-178.7	165.8	-106.2	-0.4	110.9	Y497 F544 E545 E551 L560 C574 Y576	Y497-R553 VanDerWaalsContact CE2-NH1 3.25Å; Y497-R553 VanDerWaalsContact OH-CD 3.31Å; Y497-R553 WeakPolarHBondContact OH-CD 3.4Å; Y497-R553 VanDerWaalsContact OH-CZ 3.32Å; Y497-R553 PolarHBondContact OH-NE 3.07Å; Y497-R553 PolarHBondContact OH-NH1 2.99Å; F544-R553 CarbonylContact C-O 3.52Å; F544-R553 WeakPolarHBondContact CA-O 3.41Å; E545-R553 HydrophobicContact CB-CB 4.38Å; E545-R553 PolarHBondContact N-O 3.15Å; E545-R553 PolarHBondContact O-N 2.79Å; E551-R553 HydrophobicContact CB-CG 3.94Å; E551-R553 IonicContact OE1-CZ 3.12Å; E551-R553 IonicContact OE1-NE 3.97Å; E551-R553 IonicContact OE1-NH2 2.97Å; E551-R553 PolarHBondContact OE1-NH2 2.86Å; E551-R553 IonicContact OE2-CZ 3.68Å; E551-R553 IonicContact OE2-NE 2.92Å; E551-R553 PolarHBondContact OE2-NE 2.86Å; E551-R553 IonicContact OE2-NH2 3.13Å; E551-R553 PolarHBondContact OE2-NH2 2.94Å; R553-L560 CarbonylContact C-O 3.53Å; R553-L560 VanDerWaalsContact CA-O 3.31Å; R553-L560 WeakPolarHBondContact CA-O 3.46Å; R553-C574 PolarHBondContact NH1-SG 3.5Å; R553-Y576 PolarHBondContact NH2-O 3.34Å
554	H	90.8	Very high	89	Confident	11 Å²	11	28 Å²	28	5%	0.051	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	98.5	161	178.3	75.9	0	0	0	107.4	V520 G540 Y543 F544 L560 L571	V520-H554 HydrophobicContact CG1-CB 4.21Å; G540-H554 PolarHBondContact O-CE1 3.11Å; G540-H554 VanDerWaalsContact O-CE1 3.31Å; Y543-H554 PolarHBondContact O-ND1 3.45Å; F544-H554 HydrophobicContact CD1-CB 4.07Å; F544-H554 HydrophobicContact CE1-CB 3.95Å; H554-L560 PolarHBondContact N-O 2.98Å; H554-L560 WeakPolarHBondContact O-CB 3.48Å; H554-L560 PolarHBondContact O-N 2.91Å; H554-L560 VanDerWaalsContact O-N 3.13Å; H554-L571 HydrophobicContact CB-CD1 3.91Å; H554-L571 HydrophobicContact CB-CD2 4.21Å
555	N	83.7	Confident	88.9	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.037	15%	0.15	C	C	.	.			trans	-126.3	48.5	-167	58.6	-1.4	0	0	0	112.7	R454 E545 K558	R454-N555 PolarHBondContact NE-O 2.92Å; R454-N555 PolarHBondContact NH2-ND2 2.8Å; R454-N555 PolarHBondContact NH2-OD1 2.84Å; E545-N555 PolarHBondContact OE2-ND2 3.48Å; E545-N555 PolarHBondContact OE2-OD1 2.92Å; N555-K558 WeakPolarHBondContact CA-O 3.42Å
556	I	75.8	Confident	88.4	Confident	29 Å²	29	37.8 Å²	37.8	15%	0.149	19%	0.19	C	C	.	.	S	Bend	trans	-83.6	-63.8	172	-56.6	-58.1	0	0	0	110.7	R454 Y543	R454-I556 HydrophobicContact CB-CD1 4.41Å; R454-I556 HydrophobicContact CG-CD1 4.03Å; Y543-I556 HydrophobicContact CD1-CD1 3.33Å; Y543-I556 HydrophobicContact CD1-CG1 3.95Å; Y543-I556 HydrophobicContact CE1-CD1 3.92Å; Y543-I556 HydrophobicContact CG-CD1 3.72Å; Y543-I556 HydrophobicContact CG-CG1 4.35Å
557	Q	67.2	Low	88.1	Confident	128 Å²	128	38.5 Å²	38.5	60%	0.598	20%	0.203	S	C	*	.	S	Bend	trans	-98.6	-36.3	-177.3	-63.7	176.8	6.2	0	0	113.1
558	K	75.3	Confident	88.2	Confident	103 Å²	103	42.1 Å²	42.1	45%	0.448	22%	0.222	S	C	.	.	S	Bend	trans	-138.2	153.3	178	-74.3	-174.3	178.6	170	0	108.5	Q525 N555 L560	Q525-K558 VanDerWaalsContact OE1-CD 3.24Å; Q525-K558 VanDerWaalsContact OE1-NZ 3.11Å; N555-K558 WeakPolarHBondContact CA-O 3.42Å; K558-L560 VanDerWaalsContact C-N 3.29Å; K558-L560 HydrophobicContact CB-CD1 4.41Å; K558-L560 HydrophobicContact CB-CD2 4.14Å; K558-L560 HydrophobicContact CB-CG 3.92Å; K558-L560 PolarHBondContact O-N 3.47Å
559	E	83.1	Confident	88.5	Confident	52 Å²	52	39.4 Å²	39.4	24%	0.243	20%	0.199	C	C	.	.			trans	-75.2	85.3	172.1	-68.7	154.4	-143.7	0	0	110.3	Y497 A573 C574	Y497-E559 VanDerWaalsContact CB-OE1 3.28Å; Y497-E559 WeakPolarHBondContact CB-OE1 3.2Å; Y497-E559 WeakPolarHBondContact CB-OE2 3.43Å; Y497-E559 HydrophobicContact CD1-CG 3.36Å; Y497-E559 WeakPolarHBondContact CD1-OE1 3.26Å; Y497-E559 WeakPolarHBondContact CD1-OE2 3.4Å; Y497-E559 HydrophobicContact CE1-CG 3.79Å; Y497-E559 VanDerWaalsContact CG-CD 3.41Å; Y497-E559 HydrophobicContact CG-CG 4.1Å; E559-A573 WeakPolarHBondContact O-CA 3.49Å; E559-C574 HydrophobicContact CB-CB 4.47Å; E559-C574 PolarHBondContact O-N 3.45Å
560	L	90.8	Very high	88.7	Confident	6 Å²	6	39 Å²	39	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.4	176.8	-57	178.1	0	0	0	110.2	R553 H554 K558 L571 K572 C574	R553-L560 CarbonylContact C-O 3.53Å; R553-L560 VanDerWaalsContact CA-O 3.31Å; R553-L560 WeakPolarHBondContact CA-O 3.46Å; H554-L560 PolarHBondContact N-O 2.98Å; H554-L560 WeakPolarHBondContact O-CB 3.48Å; H554-L560 PolarHBondContact O-N 2.91Å; H554-L560 VanDerWaalsContact O-N 3.13Å; K558-L560 VanDerWaalsContact C-N 3.29Å; K558-L560 HydrophobicContact CB-CD1 4.41Å; K558-L560 HydrophobicContact CB-CD2 4.14Å; K558-L560 HydrophobicContact CB-CG 3.92Å; K558-L560 PolarHBondContact O-N 3.47Å; L560-L571 HydrophobicContact CB-CB 4.07Å; L560-L571 HydrophobicContact CB-CD1 4.17Å; L560-L571 HydrophobicContact CB-CD2 4.19Å; L560-L571 HydrophobicContact CB-CG 4.38Å; L560-L571 HydrophobicContact CD1-CB 4.11Å; L560-L571 HydrophobicContact CD1-CD1 3.99Å; L560-K572 CarbonylContact C-O 3.51Å; L560-K572 VanDerWaalsContact CA-O 3.3Å; L560-K572 WeakPolarHBondContact CA-O 3.45Å; L560-C574 PolarHBondContact O-SG 3.14Å
561	C	94.1	Very high	88.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.9	177.9	-79.7	0	0	0	0	108.7	E551 I552 H563 K572 C574 Q587	E551-C561 PolarHBondContact OE1-SG 3.49Å; E551-C561 VanDerWaalsContact OE1-SG 3.41Å; I552-C561 WeakPolarHBondContact O-CA 2.98Å; C561-H563 PolarHBondContact O-N 2.88Å; C561-K572 PolarHBondContact N-O 3.31Å; C561-K572 PolarHBondContact O-N 2.56Å; C561-C574 HydrophobicContact CB-CB 4.07Å; C561-C574 WeakPolarHBondContact CB-SG 3.34Å; C561-C574 PolarHBondContact N-SG 3.34Å; C561-C574 VanDerWaalsContact SG-CA 3.57Å; C561-C574 WeakPolarHBondContact SG-CB 3.3Å; C561-C574 CovalentContact SG-SG 2.05Å; C561-C574 PolarHBondContact SG-SG 2.04Å; C561-Q587 HydrophobicContact CB-CB 4.35Å; C561-Q587 HydrophobicContact CB-CG 4.02Å
562	L	96	Very high	88.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	120.6	170.8	-162.4	72.1	0	0	0	108.4	L518 L530 I552 V569 L571 W589 L606	L518-L562 HydrophobicContact CD2-CD1 4.42Å; L530-L562 HydrophobicContact CD1-CD1 3.86Å; L530-L562 HydrophobicContact CD2-CD1 3.64Å; L530-L562 HydrophobicContact CG-CD1 4.44Å; I552-L562 HydrophobicContact CB-CB 3.86Å; I552-L562 HydrophobicContact CB-CD2 4.22Å; I552-L562 HydrophobicContact CD1-CD2 3.91Å; I552-L562 HydrophobicContact CG2-CB 4.13Å; I552-L562 HydrophobicContact CG2-CD2 4.23Å; I552-L562 WeakPolarHBondContact O-CB 3.33Å; I552-L562 PolarHBondContact O-N 2.72Å; L562-V569 HydrophobicContact CD1-CG1 3.32Å; L562-V569 HydrophobicContact CD2-CG1 4.17Å; L562-V569 HydrophobicContact CG-CG1 3.49Å; L562-V569 VanDerWaalsContact CG-CG1 3.49Å; L562-L571 HydrophobicContact CD1-CD2 4.35Å; L562-W589 HydrophobicContact CB-CZ2 4.49Å; L562-W589 HydrophobicContact CD2-CD2 4.19Å; L562-W589 HydrophobicContact CD2-CH2 4.21Å; L562-W589 HydrophobicContact CD2-CZ2 3.74Å; L562-W589 HydrophobicContact CG-CZ2 3.86Å; L562-W589 PolarHBondContact O-NE1 3.27Å; L562-L606 HydrophobicContact CD2-CD2 4.41Å
563	H	96.3	Very high	88.3	Confident	22 Å²	22	41.9 Å²	41.9	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.6	-171.2	-174.8	90.5	0	0	0	109.7	C561 Q570 K572 E586 Q587	C561-H563 PolarHBondContact O-N 2.88Å; H563-Q570 PolarHBondContact N-O 3.19Å; H563-Q570 PolarHBondContact O-N 3.34Å; H563-K572 HydrophobicContact CB-CB 4.12Å; H563-K572 HydrophobicContact CB-CD 4.26Å; H563-K572 HydrophobicContact CB-CG 4.06Å; H563-K572 PolarHBondContact CD2-NZ 3.26Å; H563-K572 PolarHBondContact NE2-NZ 3.27Å; H563-E586 WeakPolarHBondContact CE1-CB 3.01Å; H563-Q587 HydrophobicContact CB-CG 4.4Å
564	A	94.3	Very high	88.2	Confident	2 Å²	2	42 Å²	42	2%	0.017	22%	0.222	C	C	.	.			trans	-64	132.8	174.4	0	0	0	0	0	110.8	E586 W589 N599 L602 L615	A564-E586 HydrophobicContact CB-CB 4.24Å; A564-E586 VanDerWaalsContact CB-O 3.24Å; A564-E586 WeakPolarHBondContact CB-O 3.44Å; A564-E586 PolarHBondContact N-O 3.41Å; A564-W589 HydrophobicContact CB-CH2 4.38Å; A564-W589 HydrophobicContact CB-CZ2 4.03Å; A564-N599 HydrophobicContact CB-CB 4.12Å; A564-N599 VanDerWaalsContact CB-CG 3.45Å; A564-N599 WeakPolarHBondContact CB-ND2 3.36Å; A564-L602 HydrophobicContact CB-CD1 3.93Å; A564-L602 HydrophobicContact CB-CG 4.43Å; A564-L615 HydrophobicContact CB-CD1 3.52Å
565	A	90	Very high	88.2	Confident	26 Å²	26	43.8 Å²	43.8	22%	0.215	23%	0.234	C	C	.	.			trans	-140.4	158.5	172.6	0	0	0	0	0	109.4	G567	A565-G567 VanDerWaalsContact C-N 3.32Å; A565-G567 PolarHBondContact O-N 3.45Å
566	Q	83.2	Confident	88.3	Confident	184 Å²	184	46.3 Å²	46.3	86%	0.86	24%	0.243	S	C	*	.	S	Bend	trans	-68.7	92.5	171	-70.4	171.4	1.4	0	0	108.5
567	G	86.7	Confident	88.4	Confident	34 Å²	34	50.3 Å²	50.3	35%	0.351	26%	0.259	S	S	.	.	S	Bend	trans	122.9	-128.2	-174.3	0	0	0	0	0	112.3	A565 S614 L615	A565-G567 VanDerWaalsContact C-N 3.32Å; A565-G567 PolarHBondContact O-N 3.45Å; G567-S614 VanDerWaalsContact O-CA 3.31Å; G567-S614 WeakPolarHBondContact O-CA 3.4Å; G567-S614 VanDerWaalsContact O-CB 3.3Å; G567-S614 WeakPolarHBondContact O-CB 3.15Å; G567-L615 PolarHBondContact O-N 2.71Å
568	L	91.5	Very high	88.7	Confident	78 Å²	78	45.1 Å²	45.1	41%	0.408	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-71.1	136.6	-177.2	-56.2	-174.6	0	0	0	111.4	P529 H612	P529-L568 HydrophobicContact CB-CB 4.3Å; P529-L568 HydrophobicContact CB-CD1 3.99Å; P529-L568 HydrophobicContact CG-CD1 4.41Å; L568-H612 HydrophobicContact CD1-CB 3.93Å; L568-H612 HydrophobicContact CD2-CB 3.66Å; L568-H612 HydrophobicContact CG-CB 4.31Å
569	V	92.7	Very high	88.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	26%	0.256	C	S	.	.			trans	-77.7	141.6	173.9	174.5	0	0	0	0	109.9	L530 L562 W589 L606 P613 L615	L530-V569 HydrophobicContact CD1-CG1 4.37Å; L530-V569 WeakPolarHBondContact CD1-O 3.26Å; L562-V569 HydrophobicContact CD1-CG1 3.32Å; L562-V569 HydrophobicContact CD2-CG1 4.17Å; L562-V569 HydrophobicContact CG-CG1 3.49Å; L562-V569 VanDerWaalsContact CG-CG1 3.49Å; V569-W589 HydrophobicContact CG1-CZ2 4.27Å; V569-W589 HydrophobicContact CG2-CH2 4.17Å; V569-L606 HydrophobicContact CB-CD1 4.04Å; V569-L606 HydrophobicContact CG1-CD1 4.39Å; V569-L606 HydrophobicContact CG2-CD1 3.51Å; V569-P613 PolarHBondContact N-O 3.14Å; V569-L615 HydrophobicContact CG2-CD1 4.45Å; V569-L615 HydrophobicContact CG2-CG 3.85Å
570	Q	93.7	Very high	87.5	Confident	53 Å²	53	56.2 Å²	56.2	25%	0.248	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161	-176.4	-63.2	179.8	-30.2	0	0	110.6	H563	H563-Q570 PolarHBondContact N-O 3.19Å; H563-Q570 PolarHBondContact O-N 3.34Å
571	L	93.3	Very high	87	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.3	159.6	-76.7	-176.7	0	0	0	109.7	V520 G526 G527 L530 H554 L560 L562	V520-L571 HydrophobicContact CB-CD1 3.93Å; V520-L571 HydrophobicContact CG1-CD1 3.41Å; V520-L571 VanDerWaalsContact CG1-CD1 3.41Å; G526-L571 CarbonylContact C-O 3.55Å; G526-L571 VanDerWaalsContact CA-O 3.3Å; G526-L571 WeakPolarHBondContact CA-O 3.45Å; G527-L571 PolarHBondContact N-O 3.41Å; L530-L571 HydrophobicContact CD1-CG 4.05Å; L530-L571 HydrophobicContact CD2-CG 4.42Å; L530-L571 HydrophobicContact CG-CG 4.39Å; H554-L571 HydrophobicContact CB-CD1 3.91Å; H554-L571 HydrophobicContact CB-CD2 4.21Å; L560-L571 HydrophobicContact CB-CB 4.07Å; L560-L571 HydrophobicContact CB-CD1 4.17Å; L560-L571 HydrophobicContact CB-CD2 4.19Å; L560-L571 HydrophobicContact CB-CG 4.38Å; L560-L571 HydrophobicContact CD1-CB 4.11Å; L560-L571 HydrophobicContact CD1-CD1 3.99Å; L562-L571 HydrophobicContact CD1-CD2 4.35Å
572	K	93.2	Very high	86.6	Confident	79 Å²	79	63.9 Å²	63.9	34%	0.343	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	162	170.5	-69.6	-169.4	-175.2	166.7	0	109.9	L560 C561 H563 C574	L560-K572 CarbonylContact C-O 3.51Å; L560-K572 VanDerWaalsContact CA-O 3.3Å; L560-K572 WeakPolarHBondContact CA-O 3.45Å; C561-K572 PolarHBondContact N-O 3.31Å; C561-K572 PolarHBondContact O-N 2.56Å; H563-K572 HydrophobicContact CB-CB 4.12Å; H563-K572 HydrophobicContact CB-CD 4.26Å; H563-K572 HydrophobicContact CB-CG 4.06Å; H563-K572 PolarHBondContact CD2-NZ 3.26Å; H563-K572 PolarHBondContact NE2-NZ 3.27Å; K572-C574 PolarHBondContact O-N 2.82Å
573	A	91.1	Very high	86.3	Confident	64 Å²	64	65.4 Å²	65.4	53%	0.529	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	132.9	172.4	0	0	0	0	0	110.2	E559 T575 Q587	E559-A573 WeakPolarHBondContact O-CA 3.49Å; A573-T575 PolarHBondContact O-N 2.67Å; A573-Q587 PolarHBondContact O-NE2 3.02Å
574	C	89.6	Confident	86.2	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.02	35%	0.354	C	S	.	.			trans	-61.3	131.6	175.7	-66.7	0	0	0	0	109.9	R553 E559 L560 C561 K572	R553-C574 PolarHBondContact NH1-SG 3.5Å; E559-C574 HydrophobicContact CB-CB 4.47Å; E559-C574 PolarHBondContact O-N 3.45Å; L560-C574 PolarHBondContact O-SG 3.14Å; C561-C574 HydrophobicContact CB-CB 4.07Å; C561-C574 WeakPolarHBondContact CB-SG 3.34Å; C561-C574 PolarHBondContact N-SG 3.34Å; C561-C574 VanDerWaalsContact SG-CA 3.57Å; C561-C574 WeakPolarHBondContact SG-CB 3.3Å; C561-C574 CovalentContact SG-SG 2.05Å; C561-C574 PolarHBondContact SG-SG 2.04Å; K572-C574 PolarHBondContact O-N 2.82Å
575	T	89.9	Confident	86.2	Confident	49 Å²	49	67.4 Å²	67.4	30%	0.301	36%	0.363	S	S	.	.	S	Bend	trans	-77.8	-33.7	178.8	52.5	0	0	0	0	110.8	A573 T581 V582 T584 Q587	A573-T575 PolarHBondContact O-N 2.67Å; T575-T581 WeakPolarHBondContact O-CB 3.28Å; T575-V582 PolarHBondContact OG1-O 3.34Å; T575-T584 HydrophobicContact CG2-CG2 3.56Å; T575-T584 PolarHBondContact OG1-N 2.95Å; T575-Q587 PolarHBondContact OG1-OE1 3.02Å
576	Y	86.1	Confident	86.5	Confident	59 Å²	59	68.6 Å²	68.6	23%	0.231	37%	0.365	C	S	.	.			trans	-83.4	119.5	171	-174.8	-107.6	0	0	0	111.5	Q549 E551 R553 T581 V583	Q549-Y576 HydrophobicContact CG-CD1 4.09Å; Q549-Y576 HydrophobicContact CG-CE1 3.84Å; E551-Y576 WeakPolarHBondContact OE1-CB 3.38Å; R553-Y576 PolarHBondContact NH2-O 3.34Å; Y576-T581 WeakPolarHBondContact CD2-O 3.06Å; Y576-V583 HydrophobicContact CD2-CG2 4.32Å; Y576-V583 HydrophobicContact CG-CG2 4.02Å
577	K	78.1	Confident	87.1	Confident	114 Å²	114	59.9 Å²	59.9	50%	0.496	32%	0.324	S	S	.	.			trans	-125.9	18.6	177	-61	-169.5	174.5	-168.5	0	112.6	T581	K577-T581 HydrophobicContact CB-CG2 4.48Å; K577-T581 PolarHBondContact N-OG1 3.42Å
578	G	73.6	Confident	87.6	Confident	19 Å²	19	60.4 Å²	60.4	20%	0.196	32%	0.318	C	S	.	.	S	Bend	trans	85.8	-167.5	-169.2	0	0	0	0	0	112.7	T581	G578-T581 PolarHBondContact N-OG1 3.03Å; G578-T581 WeakPolarHBondContact O-CB 3.34Å; G578-T581 PolarHBondContact O-N 3.18Å; G578-T581 VanDerWaalsContact O-N 3.14Å; G578-T581 PolarHBondContact O-OG1 2.89Å
579	H	65.1	Low	87.9	Confident	169 Å²	169	56.7 Å²	56.7	78%	0.782	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	4	113.6	179.5	-75.7	-72.5	0	0	0	117.6	T581	H579-T581 PolarHBondContact O-N 3.47Å
580	K	67.3	Low	88.1	Confident	219 Å²	219	60.1 Å²	60.1	95%	0.952	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-9.2	176.6	-56.7	-178.7	179.3	177.9	0	116.6
581	T	81.2	Confident	88.1	Confident	53 Å²	53	60.6 Å²	60.6	33%	0.325	32%	0.318	S	S	.	.			trans	-84.9	153.3	171.8	69.1	0	0	0	0	111.1	T575 Y576 K577 G578 H579	T575-T581 WeakPolarHBondContact O-CB 3.28Å; Y576-T581 WeakPolarHBondContact CD2-O 3.06Å; K577-T581 HydrophobicContact CB-CG2 4.48Å; K577-T581 PolarHBondContact N-OG1 3.42Å; G578-T581 PolarHBondContact N-OG1 3.03Å; G578-T581 WeakPolarHBondContact O-CB 3.34Å; G578-T581 PolarHBondContact O-N 3.18Å; G578-T581 VanDerWaalsContact O-N 3.14Å; G578-T581 PolarHBondContact O-OG1 2.89Å; H579-T581 PolarHBondContact O-N 3.47Å
582	V	86.1	Confident	88.1	Confident	114 Å²	114	63.8 Å²	63.8	69%	0.691	33%	0.333	S	S	*	.			trans	-125.8	147.3	-180	-67.2	0	0	0	0	109.6	T575	T575-V582 PolarHBondContact OG1-O 3.34Å
583	V	89.6	Confident	88	Confident	31 Å²	31	70.4 Å²	70.4	19%	0.188	36%	0.362	C	S	.	.			trans	-71.6	131.9	173.5	-168.2	0	0	0	0	108.8	Q549 E551 Y576 Q587 I588	Q549-V583 HydrophobicContact CB-CG2 3.71Å; Q549-V583 HydrophobicContact CG-CG2 4.26Å; E551-V583 HydrophobicContact CG-CG1 3.6Å; E551-V583 HydrophobicContact CG-CG2 4.33Å; Y576-V583 HydrophobicContact CD2-CG2 4.32Å; Y576-V583 HydrophobicContact CG-CG2 4.02Å; V583-Q587 HydrophobicContact CG1-CB 4.11Å; V583-I588 HydrophobicContact CB-CG1 4.33Å; V583-I588 HydrophobicContact CG1-CD1 4.47Å; V583-I588 HydrophobicContact CG1-CG1 3.68Å
584	T	93.6	Very high	88	Confident	46 Å²	46	69.7 Å²	69.7	28%	0.282	35%	0.349	S	S	.	.			trans	-79.7	150.6	171.9	70.5	0	0	0	0	111.5	T575 E586 Q587 I588	T575-T584 HydrophobicContact CG2-CG2 3.56Å; T575-T584 PolarHBondContact OG1-N 2.95Å; T584-E586 VanDerWaalsContact CB-OE2 3.25Å; T584-E586 WeakPolarHBondContact CB-OE2 3.43Å; T584-E586 PolarHBondContact O-N 3.47Å; T584-E586 VanDerWaalsContact O-N 3.13Å; T584-E586 PolarHBondContact OG1-OE2 3.37Å; T584-E586 VanDerWaalsContact OG1-OE2 3.06Å; T584-Q587 PolarHBondContact O-N 3.37Å; T584-I588 PolarHBondContact O-N 3.08Å
585	G	94.9	Very high	88.2	Confident	20 Å²	20	73.7 Å²	73.7	21%	0.206	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-57.7	-30.8	-175.5	0	0	0	0	0	114.1	Q587 I588 N599 F601	G585-Q587 PolarHBondContact O-N 3.48Å; G585-I588 PolarHBondContact O-N 3.35Å; G585-N599 PolarHBondContact O-ND2 2.68Å; G585-N599 VanDerWaalsContact O-ND2 3.08Å; G585-F601 VanDerWaalsContact O-CB 3.24Å; G585-F601 WeakPolarHBondContact O-CB 3.47Å
586	E	95.9	Very high	88.6	Confident	52 Å²	52	71.4 Å²	71.4	24%	0.243	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-67.7	-20.3	176.5	-56.9	84.5	172.1	0	0	113.4	H563 A564 T584 F601	H563-E586 WeakPolarHBondContact CE1-CB 3.01Å; A564-E586 HydrophobicContact CB-CB 4.24Å; A564-E586 VanDerWaalsContact CB-O 3.24Å; A564-E586 WeakPolarHBondContact CB-O 3.44Å; A564-E586 PolarHBondContact N-O 3.41Å; T584-E586 VanDerWaalsContact CB-OE2 3.25Å; T584-E586 WeakPolarHBondContact CB-OE2 3.43Å; T584-E586 PolarHBondContact O-N 3.47Å; T584-E586 VanDerWaalsContact O-N 3.13Å; T584-E586 PolarHBondContact OG1-OE2 3.37Å; T584-E586 VanDerWaalsContact OG1-OE2 3.06Å; E586-F601 HydrophobicContact CG-CD1 3.74Å; E586-F601 HydrophobicContact CG-CE1 3.72Å; E586-F601 VanDerWaalsContact OE1-CE1 3.26Å; E586-F601 WeakPolarHBondContact OE1-CE1 3.34Å; E586-F601 WeakPolarHBondContact OE1-CZ 3.42Å
587	Q	96.4	Very high	89.1	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-100.9	-1.3	179.6	-67.6	-177.3	-24.1	0	0	113.1	C561 H563 A573 T575 V583 T584 G585 W589	C561-Q587 HydrophobicContact CB-CB 4.35Å; C561-Q587 HydrophobicContact CB-CG 4.02Å; H563-Q587 HydrophobicContact CB-CG 4.4Å; A573-Q587 PolarHBondContact O-NE2 3.02Å; T575-Q587 PolarHBondContact OG1-OE1 3.02Å; V583-Q587 HydrophobicContact CG1-CB 4.11Å; T584-Q587 PolarHBondContact O-N 3.37Å; G585-Q587 PolarHBondContact O-N 3.48Å; Q587-W589 VanDerWaalsContact O-CD1 3.31Å
588	I	96.9	Very high	90	Very high	45 Å²	45	65.4 Å²	65.4	23%	0.231	33%	0.328	C	S	.	.			trans	-84.6	130.3	174.5	-60.8	176.6	0	0	0	109.1	H550 V583 T584 G585 N599 P600	H550-I588 HydrophobicContact CB-CG2 4.04Å; H550-I588 CarbonylContact O-C 3.53Å; H550-I588 WeakPolarHBondContact O-CA 3.47Å; V583-I588 HydrophobicContact CB-CG1 4.33Å; V583-I588 HydrophobicContact CG1-CD1 4.47Å; V583-I588 HydrophobicContact CG1-CG1 3.68Å; T584-I588 PolarHBondContact O-N 3.08Å; G585-I588 PolarHBondContact O-N 3.35Å; I588-N599 PolarHBondContact O-ND2 3.35Å; I588-P600 HydrophobicContact CB-CG 4.21Å; I588-P600 HydrophobicContact CG2-CG 3.64Å; I588-P600 WeakPolarHBondContact O-CD 3.31Å
589	W	97.3	Very high	91.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.319	C	S	.	.			trans	-133.8	134.4	177.4	-65.4	88.5	0	0	0	109.8	Y546 H550 I552 L562 A564 V569 Q587 L597 Y598 N599 L606 L615	Y546-W589 VanDerWaalsContact CE2-O 3.3Å; Y546-W589 WeakPolarHBondContact CE2-O 3.33Å; Y546-W589 PolarHBondContact OH-O 2.93Å; H550-W589 WeakPolarHBondContact CB-O 3.18Å; H550-W589 PolarHBondContact O-N 3.16Å; I552-W589 HydrophobicContact CD1-CB 3.74Å; I552-W589 HydrophobicContact CD1-CD2 4.22Å; I552-W589 HydrophobicContact CD1-CG 3.78Å; I552-W589 HydrophobicContact CG1-CB 4.01Å; I552-W589 HydrophobicContact CG1-CG 4.14Å; L562-W589 HydrophobicContact CB-CZ2 4.49Å; L562-W589 HydrophobicContact CD2-CD2 4.19Å; L562-W589 HydrophobicContact CD2-CH2 4.21Å; L562-W589 HydrophobicContact CD2-CZ2 3.74Å; L562-W589 HydrophobicContact CG-CZ2 3.86Å; L562-W589 PolarHBondContact O-NE1 3.27Å; A564-W589 HydrophobicContact CB-CH2 4.38Å; A564-W589 HydrophobicContact CB-CZ2 4.03Å; V569-W589 HydrophobicContact CG1-CZ2 4.27Å; V569-W589 HydrophobicContact CG2-CH2 4.17Å; Q587-W589 VanDerWaalsContact O-CD1 3.31Å; W589-L597 HydrophobicContact CE3-CB 4.38Å; W589-Y598 CarbonylContact C-O 3.59Å; W589-Y598 WeakPolarHBondContact CA-O 3.41Å; W589-N599 HydrophobicContact CD2-CB 4.49Å; W589-N599 HydrophobicContact CE3-CB 4.08Å; W589-N599 HydrophobicContact CH2-CB 4.26Å; W589-N599 HydrophobicContact CZ3-CB 3.95Å; W589-L606 HydrophobicContact CH2-CD1 4.4Å; W589-L606 HydrophobicContact CZ3-CB 4.07Å; W589-L615 HydrophobicContact CH2-CD1 4.35Å; W589-L615 HydrophobicContact CH2-CD2 3.7Å; W589-L615 HydrophobicContact CH2-CG 4.28Å; W589-L615 HydrophobicContact CZ3-CD2 3.82Å
590	E	96.4	Very high	92.7	Very high	72 Å²	72	58.3 Å²	58.3	34%	0.336	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.9	175.1	-65.1	178.4	-179.2	0	0	109.4	Q592 Y598	E590-Q592 PolarHBondContact O-N 3.23Å; E590-Y598 HydrophobicContact CB-CD1 4.29Å; E590-Y598 PolarHBondContact N-O 3.01Å; E590-Y598 PolarHBondContact O-N 2.83Å
591	I	94.6	Very high	94	Very high	63 Å²	63	53.3 Å²	53.3	32%	0.323	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.9	170.5	-50.2	179.4	0	0	0	107.6	I505 Y546 L597 F629	I505-I591 HydrophobicContact CD1-CD1 4.42Å; Y546-I591 HydrophobicContact CD1-CD1 3.89Å; Y546-I591 HydrophobicContact CD2-CD1 4.04Å; Y546-I591 HydrophobicContact CD2-CG1 4.39Å; Y546-I591 HydrophobicContact CE1-CD1 4.11Å; Y546-I591 HydrophobicContact CE1-CG1 4.39Å; Y546-I591 HydrophobicContact CE2-CD1 4.23Å; Y546-I591 HydrophobicContact CE2-CG1 4.12Å; Y546-I591 HydrophobicContact CG-CD1 3.87Å; I591-L597 HydrophobicContact CB-CD2 4.4Å; I591-L597 HydrophobicContact CG1-CD2 3.75Å; I591-L597 HydrophobicContact CG2-CD2 4.45Å; I591-F629 HydrophobicContact CD1-CD1 4.02Å
592	Q	93.9	Very high	94.8	Very high	67 Å²	67	52.7 Å²	52.7	31%	0.313	27%	0.266	S	S	.	.			trans	-82.8	162.1	-176.6	-63.8	-162.5	-8.4	0	0	112.7	E590 D594 Q595 L596	E590-Q592 PolarHBondContact O-N 3.23Å; Q592-D594 WeakPolarHBondContact CB-OD1 3.25Å; Q592-D594 PolarHBondContact O-N 3.24Å; Q592-Q595 PolarHBondContact O-N 3.41Å; Q592-L596 HydrophobicContact CB-CB 4.31Å; Q592-L596 PolarHBondContact N-O 3.07Å
593	K	91	Very high	95.3	Very high	219 Å²	219	54.8 Å²	54.8	95%	0.952	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.5	-177.4	-67.8	-177.3	-179.7	178.3	0	113.7	Q595	K593-Q595 VanDerWaalsContact C-N 3.26Å
594	D	91.2	Very high	95.6	Very high	49 Å²	49	55.6 Å²	55.6	26%	0.262	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12.1	176.5	58.5	-3.6	0	0	0	113.3	Q592 L596 P620	Q592-D594 WeakPolarHBondContact CB-OD1 3.25Å; Q592-D594 PolarHBondContact O-N 3.24Å; D594-L596 VanDerWaalsContact C-N 3.27Å; D594-L596 PolarHBondContact O-N 3.19Å; D594-L596 WeakPolarHBondContact OD1-CG 3.15Å; D594-L596 PolarHBondContact OD1-N 3.14Å; D594-L596 WeakPolarHBondContact OD2-CD1 3.46Å; D594-P620 HydrophobicContact CB-CB 4.45Å; D594-P620 WeakPolarHBondContact OD2-CB 3.38Å; D594-P620 WeakPolarHBondContact OD2-CG 3.47Å
595	Q	93.9	Very high	95.8	Very high	86 Å²	86	53.4 Å²	53.4	40%	0.402	26%	0.255	S	S	.	.	S	Bend	trans	70	16.6	179.1	-56.9	171.1	45.5	0	0	114.3	Q592 K593 K626 W627	Q592-Q595 PolarHBondContact O-N 3.41Å; K593-Q595 VanDerWaalsContact C-N 3.26Å; Q595-K626 HydrophobicContact CB-CB 4.18Å; Q595-K626 HydrophobicContact CB-CG 4.4Å; Q595-K626 WeakPolarHBondContact O-CA 3.21Å; Q595-W627 PolarHBondContact O-N 3.05Å
596	L	96.8	Very high	95.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-75.7	139.2	171.7	-60.9	179.2	0	0	0	110.8	Q592 D594 C618 P620 Q625	Q592-L596 HydrophobicContact CB-CB 4.31Å; Q592-L596 PolarHBondContact N-O 3.07Å; D594-L596 VanDerWaalsContact C-N 3.27Å; D594-L596 PolarHBondContact O-N 3.19Å; D594-L596 WeakPolarHBondContact OD1-CG 3.15Å; D594-L596 PolarHBondContact OD1-N 3.14Å; D594-L596 WeakPolarHBondContact OD2-CD1 3.46Å; L596-C618 HydrophobicContact CD1-CB 4.41Å; L596-P620 HydrophobicContact CD1-CB 4.45Å; L596-P620 HydrophobicContact CD1-CG 4.06Å; L596-Q625 HydrophobicContact CD2-CB 3.56Å; L596-Q625 WeakPolarHBondContact CD2-O 3.34Å
597	L	97.1	Very high	96	Very high	3 Å²	3	50 Å²	50	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	98.3	164.7	-69.1	179.9	0	0	0	108.5	I509 I552 W589 I591 C605 L606 W627	I509-L597 HydrophobicContact CG2-CD1 4.01Å; I552-L597 HydrophobicContact CD1-CD1 4.19Å; I552-L597 HydrophobicContact CD1-CD2 4.15Å; W589-L597 HydrophobicContact CE3-CB 4.38Å; I591-L597 HydrophobicContact CB-CD2 4.4Å; I591-L597 HydrophobicContact CG1-CD2 3.75Å; I591-L597 HydrophobicContact CG2-CD2 4.45Å; L597-C605 WeakPolarHBondContact O-CA 3.45Å; L597-L606 HydrophobicContact CB-CB 4Å; L597-L606 HydrophobicContact CD1-CD2 3.87Å; L597-L606 PolarHBondContact O-N 3.16Å; L597-W627 HydrophobicContact CD1-CB 3.84Å; L597-W627 HydrophobicContact CD1-CD2 4.14Å; L597-W627 HydrophobicContact CD1-CG 3.62Å; L597-W627 HydrophobicContact CG-CB 3.93Å; L597-W627 HydrophobicContact CG-CG 3.9Å
598	Y	97.6	Very high	95.9	Very high	44 Å²	44	50 Å²	50	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.7	-172.5	174.9	-116.2	0	0	0	111.5	W589 E590 P600 K603 M604 C618	W589-Y598 CarbonylContact C-O 3.59Å; W589-Y598 WeakPolarHBondContact CA-O 3.41Å; E590-Y598 HydrophobicContact CB-CD1 4.29Å; E590-Y598 PolarHBondContact N-O 3.01Å; E590-Y598 PolarHBondContact O-N 2.83Å; Y598-P600 HydrophobicContact CD1-CB 4.36Å; Y598-P600 HydrophobicContact CE1-CB 3.8Å; Y598-K603 HydrophobicContact CE2-CB 4.41Å; Y598-M604 WeakPolarHBondContact CD2-O 3.39Å; Y598-C618 VanDerWaalsContact CD2-SG 3.58Å
599	N	97.9	Very high	95.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	112.7	168.2	178	-96.2	0	0	0	109.6	A564 G585 I588 W589 F601 L602 K603 M604	A564-N599 HydrophobicContact CB-CB 4.12Å; A564-N599 VanDerWaalsContact CB-CG 3.45Å; A564-N599 WeakPolarHBondContact CB-ND2 3.36Å; G585-N599 PolarHBondContact O-ND2 2.68Å; G585-N599 VanDerWaalsContact O-ND2 3.08Å; I588-N599 PolarHBondContact O-ND2 3.35Å; W589-N599 HydrophobicContact CD2-CB 4.49Å; W589-N599 HydrophobicContact CE3-CB 4.08Å; W589-N599 HydrophobicContact CH2-CB 4.26Å; W589-N599 HydrophobicContact CZ3-CB 3.95Å; N599-F601 VanDerWaalsContact C-N 3.3Å; N599-F601 PolarHBondContact O-N 3.04Å; N599-F601 PolarHBondContact OD1-N 3.25Å; N599-L602 PolarHBondContact OD1-N 2.68Å; N599-K603 VanDerWaalsContact O-CA 3.29Å; N599-K603 WeakPolarHBondContact O-CA 3.36Å; N599-K603 PolarHBondContact O-N 2.99Å; N599-M604 PolarHBondContact N-O 2.75Å; N599-M604 PolarHBondContact O-N 3.02Å
600	P	96.6	Very high	95.1	Very high	38 Å²	38	55.4 Å²	55.4	25%	0.247	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.4	-175.8	26.2	-33.4	0	0	0	113.8	I588 Y598	I588-P600 HydrophobicContact CB-CG 4.21Å; I588-P600 HydrophobicContact CG2-CG 3.64Å; I588-P600 WeakPolarHBondContact O-CD 3.31Å; Y598-P600 HydrophobicContact CD1-CB 4.36Å; Y598-P600 HydrophobicContact CE1-CB 3.8Å
601	F	95.9	Very high	94.5	Very high	114 Å²	114	59 Å²	59	50%	0.5	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-48.9	-179.6	178.4	-105.6	0	0	0	112.3	G585 E586 N599	G585-F601 VanDerWaalsContact O-CB 3.24Å; G585-F601 WeakPolarHBondContact O-CB 3.47Å; E586-F601 HydrophobicContact CG-CD1 3.74Å; E586-F601 HydrophobicContact CG-CE1 3.72Å; E586-F601 VanDerWaalsContact OE1-CE1 3.26Å; E586-F601 WeakPolarHBondContact OE1-CE1 3.34Å; E586-F601 WeakPolarHBondContact OE1-CZ 3.42Å; N599-F601 VanDerWaalsContact C-N 3.3Å; N599-F601 PolarHBondContact O-N 3.04Å; N599-F601 PolarHBondContact OD1-N 3.25Å
602	L	96.1	Very high	94.5	Very high	41 Å²	41	58.5 Å²	58.5	22%	0.215	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.4	175.8	-62.5	-174	0	0	0	113.2	A564 N599 M604 L615	A564-L602 HydrophobicContact CB-CD1 3.93Å; A564-L602 HydrophobicContact CB-CG 4.43Å; N599-L602 PolarHBondContact OD1-N 2.68Å; L602-M604 VanDerWaalsContact C-N 3.31Å; L602-M604 HydrophobicContact CB-CB 4.45Å; L602-M604 HydrophobicContact CB-CG 4.34Å; L602-M604 HydrophobicContact CB-SD 4.38Å; L602-M604 WeakPolarHBondContact O-CG 3.28Å; L602-M604 PolarHBondContact O-N 3.15Å; L602-L615 HydrophobicContact CD1-CD1 3.69Å
603	K	96.8	Very high	94.6	Very high	157 Å²	157	55.4 Å²	55.4	68%	0.683	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	41.2	-175	-53.6	178.9	-179.3	177.4	0	112.7	Y598 N599	Y598-K603 HydrophobicContact CE2-CB 4.41Å; N599-K603 VanDerWaalsContact O-CA 3.29Å; N599-K603 WeakPolarHBondContact O-CA 3.36Å; N599-K603 PolarHBondContact O-N 2.99Å
604	M	97.4	Very high	94.8	Very high	48 Å²	48	46 Å²	46	24%	0.236	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.5	-175.7	-66.8	179.8	83.6	0	0	110.7	Y598 N599 L602 L615 V616	Y598-M604 WeakPolarHBondContact CD2-O 3.39Å; N599-M604 PolarHBondContact N-O 2.75Å; N599-M604 PolarHBondContact O-N 3.02Å; L602-M604 VanDerWaalsContact C-N 3.31Å; L602-M604 HydrophobicContact CB-CB 4.45Å; L602-M604 HydrophobicContact CB-CG 4.34Å; L602-M604 HydrophobicContact CB-SD 4.38Å; L602-M604 WeakPolarHBondContact O-CG 3.28Å; L602-M604 PolarHBondContact O-N 3.15Å; M604-L615 HydrophobicContact CB-CB 4Å; M604-L615 HydrophobicContact CB-CD2 4.11Å; M604-L615 HydrophobicContact CB-CG 4.44Å; M604-L615 HydrophobicContact CE-CB 4.21Å; M604-L615 VanDerWaalsContact CE-O 3.23Å; M604-L615 WeakPolarHBondContact CE-O 3.43Å; M604-L615 HydrophobicContact SD-CB 4.26Å; M604-V616 WeakPolarHBondContact CA-O 3.08Å; M604-V616 WeakPolarHBondContact CB-O 2.86Å
605	C	97.3	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.4	-178.7	-70.9	0	0	0	0	111.1	L597 S607 V616 C618	L597-C605 WeakPolarHBondContact O-CA 3.45Å; C605-S607 PolarHBondContact O-N 3.44Å; C605-V616 PolarHBondContact N-O 2.68Å; C605-V616 PolarHBondContact O-N 3.24Å; C605-C618 HydrophobicContact CB-CB 3.96Å; C605-C618 WeakPolarHBondContact CB-SG 3.32Å; C605-C618 PolarHBondContact N-SG 2.89Å; C605-C618 WeakPolarHBondContact SG-CB 3.4Å; C605-C618 CovalentContact SG-SG 2.05Å; C605-C618 PolarHBondContact SG-SG 3.1Å
606	L	97.4	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.9	176.3	-171.6	70.5	0	0	0	110.4	L562 V569 W589 L597 P613 Q625 W627	L562-L606 HydrophobicContact CD2-CD2 4.41Å; V569-L606 HydrophobicContact CB-CD1 4.04Å; V569-L606 HydrophobicContact CG1-CD1 4.39Å; V569-L606 HydrophobicContact CG2-CD1 3.51Å; W589-L606 HydrophobicContact CH2-CD1 4.4Å; W589-L606 HydrophobicContact CZ3-CB 4.07Å; L597-L606 HydrophobicContact CB-CB 4Å; L597-L606 HydrophobicContact CD1-CD2 3.87Å; L597-L606 PolarHBondContact O-N 3.16Å; L606-P613 HydrophobicContact CD1-CB 3.95Å; L606-Q625 WeakPolarHBondContact O-CA 3.22Å; L606-W627 HydrophobicContact CD2-CD2 4.5Å; L606-W627 HydrophobicContact CD2-CH2 4.24Å; L606-W627 HydrophobicContact CD2-CZ2 3.65Å; L606-W627 HydrophobicContact CG-CZ2 3.74Å; L606-W627 PolarHBondContact O-NE1 2.76Å
607	S	96.5	Very high	95.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.5	173.3	-177.8	0	0	0	0	111.3	C605 N609 P613 S614	C605-S607 PolarHBondContact O-N 3.44Å; S607-N609 PolarHBondContact O-N 3.1Å; S607-N609 VanDerWaalsContact OG-CB 3.31Å; S607-N609 WeakPolarHBondContact OG-CB 3.24Å; S607-N609 PolarHBondContact OG-N 2.73Å; S607-P613 WeakPolarHBondContact O-CA 3.44Å; S607-S614 PolarHBondContact N-O 3.46Å; S607-S614 PolarHBondContact O-N 3.33Å; S607-S614 VanDerWaalsContact O-N 3.17Å
608	A	95.1	Very high	95.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.			trans	-84.1	7.4	173	0	0	0	0	0	113.1	S511 Q514 M532 L624 W627	S511-A608 WeakPolarHBondContact OG-CB 3.45Å; Q514-A608 PolarHBondContact NE2-O 3.4Å; M532-A608 HydrophobicContact CE-CB 4.11Å; M532-A608 HydrophobicContact SD-CB 4.08Å; A608-L624 HydrophobicContact CB-CD2 4.47Å; A608-L624 WeakPolarHBondContact CB-O 3.27Å; A608-L624 PolarHBondContact N-O 3.27Å; A608-W627 HydrophobicContact CB-CH2 3.57Å; A608-W627 HydrophobicContact CB-CZ2 3.68Å; A608-W627 HydrophobicContact CB-CZ3 4.4Å
609	N	90.7	Very high	95.1	Very high	106 Å²	106	50.2 Å²	50.2	57%	0.567	28%	0.277	S	S	*	.			trans	-73.1	127.7	-177.7	-169.8	27.4	0	0	0	111.8	S607 L624	S607-N609 PolarHBondContact O-N 3.1Å; S607-N609 VanDerWaalsContact OG-CB 3.31Å; S607-N609 WeakPolarHBondContact OG-CB 3.24Å; S607-N609 PolarHBondContact OG-N 2.73Å; N609-L624 HydrophobicContact CB-CD1 3.97Å
610	G	86.9	Confident	94.9	Very high	52 Å²	52	53.3 Å²	53.3	54%	0.536	30%	0.297	S	S	.	.	S	Bend	trans	91.6	-173.2	-176	0	0	0	0	0	113.6
611	E	84.6	Confident	94.9	Very high	149 Å²	149	56.2 Å²	56.2	70%	0.696	32%	0.318	S	S	*	.	S	Bend	trans	-71.7	-35.8	179.8	-174.3	176.8	179.7	0	0	112.3
612	H	93.7	Very high	95	Very high	52 Å²	52	52.7 Å²	52.7	24%	0.241	31%	0.305	C	S	.	.	S	Bend	trans	-116.6	130.3	-177.8	-62.6	-58	0	0	0	110.8	P529 L530 L568 S614	P529-H612 HydrophobicContact CB-CB 4.32Å; L530-H612 PolarHBondContact O-ND1 3.41Å; L568-H612 HydrophobicContact CD1-CB 3.93Å; L568-H612 HydrophobicContact CD2-CB 3.66Å; L568-H612 HydrophobicContact CG-CB 4.31Å; H612-S614 PolarHBondContact O-N 3.35Å
613	P	95.1	Very high	94.9	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	31%	0.314	C	S	.	.			trans	-58.7	137.1	174.8	-23	33.5	0	0	0	112	L518 L530 M532 V569 L606 S607	L518-P613 HydrophobicContact CD1-CB 4.15Å; L518-P613 HydrophobicContact CD1-CG 3.51Å; L530-P613 HydrophobicContact CB-CG 4.32Å; L530-P613 WeakPolarHBondContact O-CD 3.46Å; M532-P613 HydrophobicContact CG-CG 4.23Å; M532-P613 HydrophobicContact SD-CG 3.79Å; V569-P613 PolarHBondContact N-O 3.14Å; L606-P613 HydrophobicContact CD1-CB 3.95Å; S607-P613 WeakPolarHBondContact O-CA 3.44Å
614	S	96.1	Very high	94.9	Very high	23 Å²	23	48.1 Å²	48.1	16%	0.161	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160	-175.1	59.9	0	0	0	0	112	G567 S607 H612	G567-S614 VanDerWaalsContact O-CA 3.31Å; G567-S614 WeakPolarHBondContact O-CA 3.4Å; G567-S614 VanDerWaalsContact O-CB 3.3Å; G567-S614 WeakPolarHBondContact O-CB 3.15Å; S607-S614 PolarHBondContact N-O 3.46Å; S607-S614 PolarHBondContact O-N 3.33Å; S607-S614 VanDerWaalsContact O-N 3.17Å; H612-S614 PolarHBondContact O-N 3.35Å
615	L	96.4	Very high	94.9	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.9	173.4	-77.5	177.4	0	0	0	110.9	A564 G567 V569 W589 L602 M604	A564-L615 HydrophobicContact CB-CD1 3.52Å; G567-L615 PolarHBondContact O-N 2.71Å; V569-L615 HydrophobicContact CG2-CD1 4.45Å; V569-L615 HydrophobicContact CG2-CG 3.85Å; W589-L615 HydrophobicContact CH2-CD1 4.35Å; W589-L615 HydrophobicContact CH2-CD2 3.7Å; W589-L615 HydrophobicContact CH2-CG 4.28Å; W589-L615 HydrophobicContact CZ3-CD2 3.82Å; L602-L615 HydrophobicContact CD1-CD1 3.69Å; M604-L615 HydrophobicContact CB-CB 4Å; M604-L615 HydrophobicContact CB-CD2 4.11Å; M604-L615 HydrophobicContact CB-CG 4.44Å; M604-L615 HydrophobicContact CE-CB 4.21Å; M604-L615 VanDerWaalsContact CE-O 3.23Å; M604-L615 WeakPolarHBondContact CE-O 3.43Å; M604-L615 HydrophobicContact SD-CB 4.26Å
616	V	96.1	Very high	94.9	Very high	43 Å²	43	48.8 Å²	48.8	26%	0.261	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	169.3	177.2	-60.3	0	0	0	0	110.9	M604 C605 C618 Q625	M604-V616 WeakPolarHBondContact CA-O 3.08Å; M604-V616 WeakPolarHBondContact CB-O 2.86Å; C605-V616 PolarHBondContact N-O 2.68Å; C605-V616 PolarHBondContact O-N 3.24Å; V616-C618 PolarHBondContact O-N 3.27Å; V616-Q625 HydrophobicContact CG2-CG 4.11Å; V616-Q625 VanDerWaalsContact CG2-NE2 3.29Å
617	S	96.6	Very high	94.9	Very high	97 Å²	97	49.1 Å²	49.1	68%	0.678	29%	0.294	S	S	*	.			trans	-59.3	131.3	171	-61.7	0	0	0	0	110.8	N619 Q625	S617-N619 PolarHBondContact O-N 3.07Å; S617-Q625 PolarHBondContact O-NE2 3.39Å; S617-Q625 VanDerWaalsContact O-NE2 3.12Å; S617-Q625 PolarHBondContact O-OE1 3.29Å
618	C	96.8	Very high	94.7	Very high	50 Å²	50	52.2 Å²	52.2	34%	0.338	31%	0.31	S	S	.	.			trans	-62.2	123.2	-177	-65	0	0	0	0	112.1	L596 Y598 C605 V616	L596-C618 HydrophobicContact CD1-CB 4.41Å; Y598-C618 VanDerWaalsContact CD2-SG 3.58Å; C605-C618 HydrophobicContact CB-CB 3.96Å; C605-C618 WeakPolarHBondContact CB-SG 3.32Å; C605-C618 PolarHBondContact N-SG 2.89Å; C605-C618 WeakPolarHBondContact SG-CB 3.4Å; C605-C618 CovalentContact SG-SG 2.05Å; C605-C618 PolarHBondContact SG-SG 3.1Å; V616-C618 PolarHBondContact O-N 3.27Å
619	N	96.9	Very high	94.6	Very high	73 Å²	73	53.7 Å²	53.7	39%	0.39	32%	0.316	S	S	.	.			trans	-133.2	100.9	175.5	-178.6	2.1	0	0	0	110.1	S617 S621 D622	S617-N619 PolarHBondContact O-N 3.07Å; N619-S621 PolarHBondContact O-N 3.39Å; N619-S621 WeakPolarHBondContact OD1-CB 3.3Å; N619-S621 PolarHBondContact OD1-N 2.93Å; N619-D622 HydrophobicContact CB-CB 4.02Å; N619-D622 WeakPolarHBondContact O-CB 3.34Å; N619-D622 PolarHBondContact O-N 3.23Å
620	P	94.8	Very high	94.2	Very high	64 Å²	64	50 Å²	50	42%	0.416	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.1	179.3	-23.8	33.1	0	0	0	114.9	D594 L596 K626	D594-P620 HydrophobicContact CB-CB 4.45Å; D594-P620 WeakPolarHBondContact OD2-CB 3.38Å; D594-P620 WeakPolarHBondContact OD2-CG 3.47Å; L596-P620 HydrophobicContact CD1-CB 4.45Å; L596-P620 HydrophobicContact CD1-CG 4.06Å; P620-K626 WeakPolarHBondContact O-CE 3.3Å; P620-K626 PolarHBondContact O-NZ 2.81Å
621	S	95.8	Very high	93.8	Very high	100 Å²	100	54 Å²	54	70%	0.699	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.6	176.5	-59.1	0	0	0	0	113	N619 P623	N619-S621 PolarHBondContact O-N 3.39Å; N619-S621 WeakPolarHBondContact OD1-CB 3.3Å; N619-S621 PolarHBondContact OD1-N 2.93Å; S621-P623 WeakPolarHBondContact O-CD 3.3Å
622	D	96.9	Very high	92.7	Very high	40 Å²	40	49.4 Å²	49.4	21%	0.214	28%	0.284	C	S	.	.			trans	-79.9	113.8	-178.4	-177.1	-3.9	0	0	0	110.5	N619 L624 Q625	N619-D622 HydrophobicContact CB-CB 4.02Å; N619-D622 WeakPolarHBondContact O-CB 3.34Å; N619-D622 PolarHBondContact O-N 3.23Å; D622-L624 PolarHBondContact O-N 3.07Å; D622-L624 WeakPolarHBondContact OD1-CB 3.34Å; D622-L624 PolarHBondContact OD1-N 3.35Å; D622-Q625 HydrophobicContact CB-CB 4.47Å; D622-Q625 HydrophobicContact CB-CG 4.1Å; D622-Q625 PolarHBondContact O-N 3.46Å; D622-Q625 PolarHBondContact OD2-NE2 2.77Å
623	P	95.6	Very high	90.5	Very high	64 Å²	64	58 Å²	58	42%	0.416	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-67.7	-21.3	-179.4	31.2	-36.8	0	0	0	112.9	G513 S621 Q625 K626	G513-P623 WeakPolarHBondContact CA-O 3.15Å; G513-P623 PolarHBondContact N-O 2.72Å; S621-P623 WeakPolarHBondContact O-CD 3.3Å; P623-Q625 PolarHBondContact O-N 3.18Å; P623-K626 PolarHBondContact O-N 2.71Å
624	L	96.4	Very high	90.3	Very high	38 Å²	38	60.8 Å²	60.8	20%	0.199	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-73.9	-14.6	176.6	-65.9	170.4	0	0	0	112.8	Q514 A608 N609 D622	Q514-L624 HydrophobicContact CG-CD2 4.28Å; A608-L624 HydrophobicContact CB-CD2 4.47Å; A608-L624 WeakPolarHBondContact CB-O 3.27Å; A608-L624 PolarHBondContact N-O 3.27Å; N609-L624 HydrophobicContact CB-CD1 3.97Å; D622-L624 PolarHBondContact O-N 3.07Å; D622-L624 WeakPolarHBondContact OD1-CB 3.34Å; D622-L624 PolarHBondContact OD1-N 3.35Å
625	Q	97.1	Very high	90	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.033	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-93.9	-4.1	173.5	-61.1	-174.5	30	0	0	113.4	L596 L606 V616 S617 D622 P623 W627	L596-Q625 HydrophobicContact CD2-CB 3.56Å; L596-Q625 WeakPolarHBondContact CD2-O 3.34Å; L606-Q625 WeakPolarHBondContact O-CA 3.22Å; V616-Q625 HydrophobicContact CG2-CG 4.11Å; V616-Q625 VanDerWaalsContact CG2-NE2 3.29Å; S617-Q625 PolarHBondContact O-NE2 3.39Å; S617-Q625 VanDerWaalsContact O-NE2 3.12Å; S617-Q625 PolarHBondContact O-OE1 3.29Å; D622-Q625 HydrophobicContact CB-CB 4.47Å; D622-Q625 HydrophobicContact CB-CG 4.1Å; D622-Q625 PolarHBondContact O-N 3.46Å; D622-Q625 PolarHBondContact OD2-NE2 2.77Å; P623-Q625 PolarHBondContact O-N 3.18Å; Q625-W627 PolarHBondContact O-NE1 2.81Å
626	K	97.3	Very high	89.6	Confident	55 Å²	55	65.8 Å²	65.8	24%	0.239	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-94.6	132.3	-179.2	-67.6	-177.9	-178.8	176.7	0	110.8	V512 Q595 P620 P623	V512-K626 HydrophobicContact CB-CB 3.74Å; V512-K626 HydrophobicContact CG1-CB 4.45Å; V512-K626 HydrophobicContact CG2-CB 3.66Å; V512-K626 PolarHBondContact N-O 2.74Å; Q595-K626 HydrophobicContact CB-CB 4.18Å; Q595-K626 HydrophobicContact CB-CG 4.4Å; Q595-K626 WeakPolarHBondContact O-CA 3.21Å; P620-K626 WeakPolarHBondContact O-CE 3.3Å; P620-K626 PolarHBondContact O-NZ 2.81Å; P623-K626 PolarHBondContact O-N 2.71Å
627	W	96.5	Very high	89.2	Confident	7 Å²	7	67.1 Å²	67.1	3%	0.027	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.4	-174.3	-59.6	92.1	0	0	0	111.7	I509 K510 L518 M532 Q595 L597 L606 A608 Q625	I509-W627 HydrophobicContact CG2-CB 4.1Å; I509-W627 HydrophobicContact CG2-CD2 4.12Å; I509-W627 HydrophobicContact CG2-CE3 3.6Å; I509-W627 HydrophobicContact CG2-CG 4.37Å; I509-W627 HydrophobicContact CG2-CZ3 4.27Å; K510-W627 CarbonylContact O-C 3.52Å; K510-W627 WeakPolarHBondContact O-CA 3.22Å; L518-W627 HydrophobicContact CB-CZ3 4.35Å; M532-W627 HydrophobicContact CE-CH2 3.94Å; M532-W627 HydrophobicContact CE-CZ3 3.85Å; M532-W627 HydrophobicContact SD-CH2 3.69Å; M532-W627 HydrophobicContact SD-CZ3 4.11Å; Q595-W627 PolarHBondContact O-N 3.05Å; L597-W627 HydrophobicContact CD1-CB 3.84Å; L597-W627 HydrophobicContact CD1-CD2 4.14Å; L597-W627 HydrophobicContact CD1-CG 3.62Å; L597-W627 HydrophobicContact CG-CB 3.93Å; L597-W627 HydrophobicContact CG-CG 3.9Å; L606-W627 HydrophobicContact CD2-CD2 4.5Å; L606-W627 HydrophobicContact CD2-CH2 4.24Å; L606-W627 HydrophobicContact CD2-CZ2 3.65Å; L606-W627 HydrophobicContact CG-CZ2 3.74Å; L606-W627 PolarHBondContact O-NE1 2.76Å; A608-W627 HydrophobicContact CB-CH2 3.57Å; A608-W627 HydrophobicContact CB-CZ2 3.68Å; A608-W627 HydrophobicContact CB-CZ3 4.4Å; Q625-W627 PolarHBondContact O-NE1 2.81Å
628	I	94	Very high	88.8	Confident	67 Å²	67	65.3 Å²	65.3	34%	0.344	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.1	173.5	-52.8	175	0	0	0	107.4	K510 V512 S630	K510-I628 PolarHBondContact N-O 3.09Å; K510-I628 PolarHBondContact O-N 3.47Å; V512-I628 HydrophobicContact CG2-CD1 3.99Å; V512-I628 HydrophobicContact CG2-CG1 3.74Å; I628-S630 VanDerWaalsContact CG2-OG 3.26Å; I628-S630 WeakPolarHBondContact CG2-OG 3.37Å
629	F	91.7	Very high	88.2	Confident	30 Å²	30	66.3 Å²	66.3	13%	0.132	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	108.6	170.2	-147.4	144.1	0	0	0	108.1	I505 Y508 I509 F544 I591	I505-F629 HydrophobicContact CG2-CB 4.15Å; I505-F629 HydrophobicContact CG2-CD1 4.49Å; I505-F629 HydrophobicContact CG2-CD2 3.6Å; I505-F629 HydrophobicContact CG2-CE2 4.12Å; I505-F629 HydrophobicContact CG2-CG 3.82Å; Y508-F629 WeakPolarHBondContact O-CD2 3.24Å; I509-F629 HydrophobicContact CD1-CD1 4.07Å; I509-F629 HydrophobicContact CD1-CE1 3.64Å; I509-F629 HydrophobicContact CD1-CE2 4.49Å; I509-F629 HydrophobicContact CD1-CZ 3.89Å; I509-F629 HydrophobicContact CG1-CD1 3.85Å; I509-F629 HydrophobicContact CG1-CD2 3.97Å; I509-F629 HydrophobicContact CG1-CE1 3.75Å; I509-F629 HydrophobicContact CG1-CE2 3.86Å; I509-F629 HydrophobicContact CG1-CG 3.96Å; I509-F629 HydrophobicContact CG1-CZ 3.76Å; F544-F629 HydrophobicContact CB-CE2 4.24Å; F544-F629 HydrophobicContact CB-CZ 3.66Å; F544-F629 WeakPolarHBondContact O-CE2 3.38Å; F544-F629 WeakPolarHBondContact O-CZ 3.32Å; I591-F629 HydrophobicContact CD1-CD1 4.02Å
630	S	82.3	Confident	87.6	Confident	30 Å²	30	65.8 Å²	65.8	21%	0.21	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149	-176.3	-59.6	0	0	0	0	111	G507 Y508 I628	G507-S630 CarbonylContact C-O 3.59Å; G507-S630 VanDerWaalsContact CA-O 3.27Å; G507-S630 WeakPolarHBondContact CA-O 3.49Å; Y508-S630 PolarHBondContact N-O 2.9Å; Y508-S630 PolarHBondContact O-N 3.16Å; I628-S630 VanDerWaalsContact CG2-OG 3.26Å; I628-S630 WeakPolarHBondContact CG2-OG 3.37Å
631	Q	78.1	Confident	87.1	Confident	134 Å²	134	65.9 Å²	65.9	63%	0.626	36%	0.359	S	S	*	.			trans	-73	149.4	169.7	-63.5	-175.1	-0.8	0	0	109.8	S506	S506-Q631 WeakPolarHBondContact O-CA 3.38Å; S506-Q631 WeakPolarHBondContact O-CG 3.43Å
632	N	63.3	Low	86.3	Confident	53 Å²	53	63.1 Å²	63.1	28%	0.283	33%	0.33	S	S	.	.			trans	-69.3	128.6	164.9	-69.8	-32.3	0	0	0	107.6	Y508	Y508-N632 WeakPolarHBondContact CD1-OD1 3.48Å
633	D	47	Very low	85.4	Confident	232 Å²	232	65.2 Å²	65.2	100%	1.241	34%	0.341	S	S	*	.			trans	-64.2	0	175.1	-79.2	-31.3	0	0	0	113.3

Retrieved 633 of 633 residues in 1117.1 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).