A0A087XS82_POEFO Loading...

alpha-1,2-Mannosidase

Involved in glycoprotein quality control targeting of misfolded glycoproteins for degradation. It primarily trims a single alpha-1,2-linked mannose residue from Man(9)GlcNAc(2) to produce Man(8)GlcNAc(2), but at high enzyme concentrations, as found in the ER quality control compartment (ERQC), it further trims the carbohydrates to Man(5-6)GlcNAc(2).

AlphaFold DB , UniProt , Accession A0A087XS82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 651 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	44.3	Very low	38	Very low	234 Å²	234	157 Å²	157	100%	1.153	85%	0.846	S	S	*	*				0	119.2	0	-79.1	174.5	170.5	0	0	108.4
2	H	32.3	Very low	37.6	Very low	202 Å²	202	153.5 Å²	153.5	94%	0.935	83%	0.833	S	S	*	*			trans	178.5	141	144.3	-87.4	-48.7	0	0	0	106.8
3	A	35.8	Very low	36.9	Very low	94 Å²	94	154.3 Å²	154.3	78%	0.777	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-103.3	146.5	-173.5	0	0	0	0	0	111.1
4	P	45.8	Very low	36.7	Very low	131 Å²	131	157.4 Å²	157.4	85%	0.851	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-70	147.9	171.7	-15.3	30.4	0	0	0	112.2
5	S	41.9	Very low	36.3	Very low	116 Å²	116	155.5 Å²	155.5	81%	0.811	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-73	151.5	-179.9	41.8	0	0	0	0	113.5
6	R	41.8	Very low	36	Very low	231 Å²	231	150.4 Å²	150.4	87%	0.872	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75	146.9	167.7	-70.3	178.3	173	174.5	-2.6	110.5
7	P	44.4	Very low	35.7	Very low	105 Å²	105	151.2 Å²	151.2	68%	0.682	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-81.4	135.8	163.9	32.3	-31.5	0	0	0	111.2
8	D	32.3	Very low	35.5	Very low	158 Å²	158	151.4 Å²	151.4	85%	0.845	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-82.7	143.4	172.7	-71	-47.3	0	0	0	111.5
9	Y	35.6	Very low	35.2	Very low	224 Å²	224	150.4 Å²	150.4	88%	0.878	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-99.6	125.1	173.4	-76.7	-94.8	0	0	0	110.5
10	V	32.7	Very low	34.9	Very low	130 Å²	130	146.7 Å²	146.7	79%	0.788	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-93	121.1	172.6	178.3	0	0	0	0	109.6	V12	V10-V12 HydrophobicContact CG1-CG2 4.33Å
11	S	31.3	Very low	34.6	Very low	102 Å²	102	145.6 Å²	145.6	71%	0.713	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.5	124	169.6	50.2	0	0	0	0	110.7
12	V	32.5	Very low	33.9	Very low	115 Å²	115	145 Å²	145	70%	0.697	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-99.6	116.5	176.4	-177	0	0	0	0	109.4	V10 F14	V10-V12 HydrophobicContact CG1-CG2 4.33Å; V12-F14 HydrophobicContact CG1-CD2 4.06Å; V12-F14 HydrophobicContact CG1-CE2 4.01Å
13	H	29.3	Very low	34	Very low	164 Å²	164	143.4 Å²	143.4	76%	0.759	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.3	133.7	168.5	-88.6	-82.1	0	0	0	110.4
14	F	33.3	Very low	33.9	Very low	198 Å²	198	145.2 Å²	145.2	87%	0.868	80%	0.798	S	S	*	*			trans	-114	135.2	159.7	-94	-86.8	0	0	0	110.1	V12	V12-F14 HydrophobicContact CG1-CD2 4.06Å; V12-F14 HydrophobicContact CG1-CE2 4.01Å
15	T	31.6	Very low	33.2	Very low	128 Å²	128	142.6 Å²	142.6	79%	0.785	79%	0.794	S	S	*	*			trans	-131.8	128.4	-175.1	45.8	0	0	0	0	111.8
16	G	30.7	Very low	33.1	Very low	75 Å²	75	146.7 Å²	146.7	77%	0.773	80%	0.797	S	S	*	*			trans	90.4	148.4	163	0	0	0	0	0	115.7
17	Q	31.6	Very low	32.8	Very low	164 Å²	164	144.5 Å²	144.5	77%	0.766	80%	0.797	S	S	*	*			cis	-165.1	154.6	2.2	-130.3	-171.2	11.6	0	0	112.4
18	Q	31.7	Very low	32.6	Very low	154 Å²	154	151.7 Å²	151.7	72%	0.72	81%	0.811	S	S	*	*			trans	66.4	145.1	158.1	-58.3	-176.2	40.3	0	0	117.6
19	T	30.1	Very low	32.9	Very low	132 Å²	132	155.6 Å²	155.6	81%	0.81	81%	0.814	S	S	*	*			cis	-162.6	155.6	-11.3	15.6	0	0	0	0	107.5
20	G	29.8	Very low	33.3	Very low	76 Å²	76	156.2 Å²	156.2	78%	0.784	82%	0.815	S	S	*	*			cis	144.3	105.3	-6.3	0	0	0	0	0	113.2
21	S	28.5	Very low	33.8	Very low	125 Å²	125	157 Å²	157	87%	0.874	81%	0.809	S	S	*	*			trans	-139.7	122.7	171.3	-172.9	0	0	0	0	112
22	Y	28.4	Very low	35.4	Very low	220 Å²	220	155.3 Å²	155.3	86%	0.863	80%	0.798	S	S	*	*			trans	-96.5	136.6	177.5	-105.9	-107.3	0	0	0	109.7
23	N	35.3	Very low	37	Very low	169 Å²	169	159.4 Å²	159.4	90%	0.904	80%	0.802	S	S	*	*			trans	-136.6	133.5	158.5	-150.8	-9	0	0	0	110.5
24	N	33.1	Very low	38.5	Very low	133 Å²	133	159.3 Å²	159.3	71%	0.711	80%	0.795	S	S	*	*			trans	-121.1	82.7	-152.6	-162.2	4.9	0	0	0	112.3
25	G	30.6	Very low	40.3	Very low	75 Å²	75	159.4 Å²	159.4	77%	0.773	79%	0.79	S	S	*	*			trans	-92.4	112.4	176.5	0	0	0	0	0	112.7	Q27	G25-Q27 PolarHBondContact O-N 3.41Å
26	K	41.6	Very low	42.3	Very low	202 Å²	202	159.2 Å²	159.2	88%	0.878	78%	0.778	S	S	*	*			trans	-70.6	109.4	176.7	-71.7	175.4	179.1	171.9	0	111.5
27	Q	35.2	Very low	44.5	Very low	185 Å²	185	159.5 Å²	159.5	86%	0.864	76%	0.756	S	S	*	*			trans	-131.4	146.3	155.5	-86.5	-171.8	-16.7	0	0	112.1	G25 R29	G25-Q27 PolarHBondContact O-N 3.41Å; Q27-R29 PolarHBondContact O-N 2.77Å
28	W	38.7	Very low	46.7	Very low	256 Å²	256	157.6 Å²	157.6	97%	0.97	75%	0.745	S	S	*	*			trans	-61.1	108.1	-168.5	-125.5	23	0	0	0	112.8	R30	W28-R30 PolarHBondContact O-N 2.74Å
29	R	39.1	Very low	49.2	Very low	240 Å²	240	157.8 Å²	157.8	91%	0.906	75%	0.746	S	S	*	*			trans	-79.2	106.2	167.4	-71.6	-171.3	-178.1	-173.5	1.4	110	Q27 Q31	Q27-R29 PolarHBondContact O-N 2.77Å; R29-Q31 PolarHBondContact O-N 3.18Å; R29-Q31 VanDerWaalsContact O-N 3.11Å
30	R	44.9	Very low	51.7	Low	238 Å²	238	154 Å²	154	90%	0.898	72%	0.72	S	S	*	*			trans	-56.3	113.6	166.3	-77.1	-176	172.3	-170	-1.6	109.4	W28 S32	W28-R30 PolarHBondContact O-N 2.74Å; R30-S32 PolarHBondContact O-N 3.46Å
31	Q	43.1	Very low	54.5	Low	145 Å²	145	153.1 Å²	153.1	68%	0.678	70%	0.702	S	S	*	*			trans	-68.8	119.5	171.6	-70.7	-174	-7.6	0	0	109.2	R29 Y33	R29-Q31 PolarHBondContact O-N 3.18Å; R29-Q31 VanDerWaalsContact O-N 3.11Å; Q31-Y33 PolarHBondContact O-N 3.05Å; Q31-Y33 VanDerWaalsContact O-N 3.17Å
32	S	63.6	Low	57	Low	67 Å²	67	158.2 Å²	158.2	47%	0.469	70%	0.702	S	S	.	*			trans	-65.6	115.4	177.6	176.6	0	0	0	0	111	R30 W34 R35	R30-S32 PolarHBondContact O-N 3.46Å; S32-W34 PolarHBondContact O-N 2.82Å; S32-W34 WeakPolarHBondContact OG-CB 3.46Å; S32-W34 PolarHBondContact OG-N 3.11Å; S32-R35 PolarHBondContact O-N 3.3Å
33	Y	66.5	Low	59.7	Low	201 Å²	201	153.9 Å²	153.9	79%	0.788	69%	0.693	S	S	*	*	H	α-helix	trans	-50.5	-29.6	172.9	-71.8	-87.7	0	0	0	112.5	Q31 R35 K36 W37	Q31-Y33 PolarHBondContact O-N 3.05Å; Q31-Y33 VanDerWaalsContact O-N 3.17Å; Y33-R35 VanDerWaalsContact C-N 3.29Å; Y33-R35 PolarHBondContact O-N 2.63Å; Y33-K36 PolarHBondContact O-N 2.67Å; Y33-K36 VanDerWaalsContact O-N 3.16Å; Y33-W37 PolarHBondContact O-N 3.33Å
34	W	61.4	Low	62.2	Low	162 Å²	162	150.5 Å²	150.5	61%	0.614	67%	0.672	S	S	*	*	H	α-helix	trans	-62.8	-30.8	179.8	-150.9	80.8	0	0	0	113.6	S32 K38	S32-W34 PolarHBondContact O-N 2.82Å; S32-W34 WeakPolarHBondContact OG-CB 3.46Å; S32-W34 PolarHBondContact OG-N 3.11Å; W34-K38 HydrophobicContact CE3-CD 4.13Å; W34-K38 HydrophobicContact CH2-CD 4.36Å; W34-K38 HydrophobicContact CZ3-CD 3.89Å; W34-K38 VanDerWaalsContact CZ3-NZ 3.31Å; W34-K38 PolarHBondContact O-N 3.36Å; W34-K38 VanDerWaalsContact O-N 3.15Å
35	R	70.9	Confident	64.8	Low	201 Å²	201	147.9 Å²	147.9	76%	0.758	65%	0.652	S	S	*	*	H	α-helix	trans	-72.4	-39.8	174	-69.3	-171.6	-177.6	-178.5	1	111.8	S32 Y33 K38 Q39	S32-R35 PolarHBondContact O-N 3.3Å; Y33-R35 VanDerWaalsContact C-N 3.29Å; Y33-R35 PolarHBondContact O-N 2.63Å; R35-K38 PolarHBondContact O-N 3.29Å; R35-Q39 PolarHBondContact O-N 3.18Å
36	K	73.8	Confident	67.5	Low	124 Å²	124	148 Å²	148	54%	0.539	64%	0.642	S	S	.	*	H	α-helix	trans	-66.3	-39.6	172.9	-74.2	-175.9	175.8	177	0	111.6	Y33 K38 Q39 L40	Y33-K36 PolarHBondContact O-N 2.67Å; Y33-K36 VanDerWaalsContact O-N 3.16Å; K36-K38 VanDerWaalsContact C-N 3.31Å; K36-K38 PolarHBondContact O-N 3.42Å; K36-Q39 WeakPolarHBondContact O-CB 3.32Å; K36-Q39 PolarHBondContact O-N 3.21Å; K36-L40 PolarHBondContact O-N 2.85Å
37	W	77.1	Confident	69.8	Low	81 Å²	81	143.2 Å²	143.2	31%	0.307	63%	0.625	S	S	.	*	H	α-helix	trans	-57.4	-43	174	-173.7	-109	0	0	0	112.3	Y33 Q39 L40 R45 F48 L49	Y33-W37 PolarHBondContact O-N 3.33Å; W37-Q39 PolarHBondContact O-N 3.39Å; W37-L40 HydrophobicContact CE3-CD1 3.89Å; W37-L40 HydrophobicContact CZ3-CD1 4.17Å; W37-L40 PolarHBondContact O-N 3.46Å; W37-R45 HydrophobicContact CD2-CG 4.45Å; W37-R45 HydrophobicContact CH2-CB 4.12Å; W37-R45 HydrophobicContact CH2-CG 4.29Å; W37-R45 HydrophobicContact CZ2-CB 3.96Å; W37-R45 HydrophobicContact CZ2-CG 4.02Å; W37-R45 PolarHBondContact O-NE 3.4Å; W37-R45 VanDerWaalsContact O-NE 3.1Å; W37-R45 PolarHBondContact O-NH2 3.29Å; W37-F48 HydrophobicContact CH2-CB 4.01Å; W37-F48 HydrophobicContact CZ3-CB 3.87Å; W37-F48 HydrophobicContact CZ3-CD1 4.04Å; W37-F48 HydrophobicContact CZ3-CG 4Å; W37-L49 HydrophobicContact CH2-CD2 4.46Å; W37-L49 HydrophobicContact CH2-CG 4.15Å; W37-L49 HydrophobicContact CZ2-CD1 4.46Å; W37-L49 HydrophobicContact CZ2-CG 4.31Å
38	K	76.8	Confident	72.5	Confident	123 Å²	123	140.2 Å²	140.2	54%	0.535	61%	0.609	S	S	.	*	H	α-helix	trans	-68.3	-13.6	175.6	-80.2	-168.3	170.5	-173.5	0	114.8	W34 R35 K36 R45	W34-K38 HydrophobicContact CE3-CD 4.13Å; W34-K38 HydrophobicContact CH2-CD 4.36Å; W34-K38 HydrophobicContact CZ3-CD 3.89Å; W34-K38 VanDerWaalsContact CZ3-NZ 3.31Å; W34-K38 PolarHBondContact O-N 3.36Å; W34-K38 VanDerWaalsContact O-N 3.15Å; R35-K38 PolarHBondContact O-N 3.29Å; K36-K38 VanDerWaalsContact C-N 3.31Å; K36-K38 PolarHBondContact O-N 3.42Å; K38-R45 VanDerWaalsContact C-NH2 3.33Å; K38-R45 PolarHBondContact O-NH2 3.34Å
39	Q	84.5	Confident	74.9	Confident	159 Å²	159	132.6 Å²	132.6	74%	0.743	59%	0.587	S	S	*	*	H	α-helix	trans	-88.7	-17.8	174.9	-70.6	172.7	-32.5	0	0	113.6	R35 K36 W37	R35-Q39 PolarHBondContact O-N 3.18Å; K36-Q39 WeakPolarHBondContact O-CB 3.32Å; K36-Q39 PolarHBondContact O-N 3.21Å; W37-Q39 PolarHBondContact O-N 3.39Å
40	L	83.8	Confident	77.4	Confident	51 Å²	51	127.5 Å²	127.5	27%	0.267	57%	0.572	S	S	.	*	S	Bend	trans	-71	145.2	177.3	-65.6	175.9	0	0	0	111.8	K36 W37 Q44 R45	K36-L40 PolarHBondContact O-N 2.85Å; W37-L40 HydrophobicContact CE3-CD1 3.89Å; W37-L40 HydrophobicContact CZ3-CD1 4.17Å; W37-L40 PolarHBondContact O-N 3.46Å; L40-Q44 HydrophobicContact CB-CB 4.06Å; L40-Q44 HydrophobicContact CD2-CB 4.28Å; L40-R45 HydrophobicContact CB-CG 3.8Å; L40-R45 VanDerWaalsContact O-CZ 3.25Å; L40-R45 PolarHBondContact O-NE 3.44Å; L40-R45 PolarHBondContact O-NH2 3.44Å
41	S	88.3	Confident	79.6	Confident	58 Å²	58	120.6 Å²	120.6	41%	0.406	55%	0.551	S	S	.	*			trans	-67.2	162.7	174.1	81.3	0	0	0	0	112.1	L43 Q44 R45	S41-L43 VanDerWaalsContact C-N 3.25Å; S41-L43 PolarHBondContact O-N 3.13Å; S41-Q44 PolarHBondContact O-N 2.97Å; S41-Q44 VanDerWaalsContact O-N 3.16Å; S41-Q44 WeakPolarHBondContact OG-CG 3.43Å; S41-Q44 PolarHBondContact OG-N 3.32Å; S41-R45 WeakPolarHBondContact O-CG 3.37Å; S41-R45 PolarHBondContact O-N 3.22Å
42	R	80.3	Confident	81.9	Confident	232 Å²	232	118.5 Å²	118.5	88%	0.875	54%	0.543	S	S	*	.	H	α-helix	trans	-56.3	-40.7	177	-72	-174.8	176.3	-175.1	-1.3	111.9	S46	R42-S46 PolarHBondContact O-N 2.95Å; R42-S46 VanDerWaalsContact O-N 3.12Å
43	L	85.6	Confident	83.2	Confident	130 Å²	130	119.2 Å²	119.2	68%	0.681	55%	0.545	S	S	*	.	H	α-helix	trans	-62.8	-47.4	176.2	-165.8	87.7	0	0	0	111.6	S41 R45 S46 L47	S41-L43 VanDerWaalsContact C-N 3.25Å; S41-L43 PolarHBondContact O-N 3.13Å; L43-R45 PolarHBondContact O-N 3.18Å; L43-S46 WeakPolarHBondContact O-CB 3.29Å; L43-S46 PolarHBondContact O-N 3.41Å; L43-L47 PolarHBondContact O-N 2.83Å
44	Q	86.4	Confident	84.5	Confident	98 Å²	98	113.2 Å²	113.2	46%	0.458	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-40.2	-179.6	-74.5	170.7	-29	0	0	112.4	L40 S41 L47 F48	L40-Q44 HydrophobicContact CB-CB 4.06Å; L40-Q44 HydrophobicContact CD2-CB 4.28Å; S41-Q44 PolarHBondContact O-N 2.97Å; S41-Q44 VanDerWaalsContact O-N 3.16Å; S41-Q44 WeakPolarHBondContact OG-CG 3.43Å; S41-Q44 PolarHBondContact OG-N 3.32Å; Q44-L47 PolarHBondContact O-N 3.01Å; Q44-F48 WeakPolarHBondContact O-CB 3.38Å; Q44-F48 PolarHBondContact O-N 3.36Å
45	R	89	Confident	85.9	Confident	77 Å²	77	111 Å²	111	29%	0.291	53%	0.525	S	S	.	.	H	α-helix	trans	-65.7	-40.2	175.5	-64.9	-178.9	-150.9	-179.3	5.1	111.9	W37 K38 L40 S41 L43 F48 L49	W37-R45 HydrophobicContact CD2-CG 4.45Å; W37-R45 HydrophobicContact CH2-CB 4.12Å; W37-R45 HydrophobicContact CH2-CG 4.29Å; W37-R45 HydrophobicContact CZ2-CB 3.96Å; W37-R45 HydrophobicContact CZ2-CG 4.02Å; W37-R45 PolarHBondContact O-NE 3.4Å; W37-R45 VanDerWaalsContact O-NE 3.1Å; W37-R45 PolarHBondContact O-NH2 3.29Å; K38-R45 VanDerWaalsContact C-NH2 3.33Å; K38-R45 PolarHBondContact O-NH2 3.34Å; L40-R45 HydrophobicContact CB-CG 3.8Å; L40-R45 VanDerWaalsContact O-CZ 3.25Å; L40-R45 PolarHBondContact O-NE 3.44Å; L40-R45 PolarHBondContact O-NH2 3.44Å; S41-R45 WeakPolarHBondContact O-CG 3.37Å; S41-R45 PolarHBondContact O-N 3.22Å; L43-R45 PolarHBondContact O-N 3.18Å; R45-F48 PolarHBondContact O-N 2.84Å; R45-L49 WeakPolarHBondContact O-CG 3.47Å; R45-L49 PolarHBondContact O-N 2.98Å
46	S	86.9	Confident	86.8	Confident	79 Å²	79	108.1 Å²	108.1	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-62.1	-46.9	175.9	-165	0	0	0	0	111.4	R42 L43 F48 L49 F50	R42-S46 PolarHBondContact O-N 2.95Å; R42-S46 VanDerWaalsContact O-N 3.12Å; L43-S46 WeakPolarHBondContact O-CB 3.29Å; L43-S46 PolarHBondContact O-N 3.41Å; S46-F48 VanDerWaalsContact C-N 3.34Å; S46-F48 PolarHBondContact O-N 3.46Å; S46-L49 PolarHBondContact O-N 2.78Å; S46-F50 WeakPolarHBondContact O-CB 3.42Å; S46-F50 PolarHBondContact O-N 3.21Å
47	L	89.8	Confident	87.6	Confident	100 Å²	100	107 Å²	107	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-58.1	-42.4	174	-107.9	156.5	0	0	0	112.6	L43 Q44 F50 M51	L43-L47 PolarHBondContact O-N 2.83Å; Q44-L47 PolarHBondContact O-N 3.01Å; L47-F50 PolarHBondContact O-N 3.11Å; L47-M51 WeakPolarHBondContact O-CG 3.47Å; L47-M51 PolarHBondContact O-N 3.01Å
48	F	91.4	Very high	88.1	Confident	123 Å²	123	106.2 Å²	106.2	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-68	-39.3	179.5	-139.9	-80.6	0	0	0	112.5	W37 Q44 R45 S46 L52	W37-F48 HydrophobicContact CH2-CB 4.01Å; W37-F48 HydrophobicContact CZ3-CB 3.87Å; W37-F48 HydrophobicContact CZ3-CD1 4.04Å; W37-F48 HydrophobicContact CZ3-CG 4Å; Q44-F48 WeakPolarHBondContact O-CB 3.38Å; Q44-F48 PolarHBondContact O-N 3.36Å; R45-F48 PolarHBondContact O-N 2.84Å; S46-F48 VanDerWaalsContact C-N 3.34Å; S46-F48 PolarHBondContact O-N 3.46Å; F48-L52 HydrophobicContact CD1-CD1 4.33Å; F48-L52 PolarHBondContact O-N 3.31Å; F48-L52 VanDerWaalsContact O-N 3.1Å
49	L	89.8	Confident	88.6	Confident	95 Å²	95	102.2 Å²	102.2	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-67.6	-42.4	174.1	-72.5	168.5	0	0	0	111.5	W37 R45 S46 M51 L52 V53	W37-L49 HydrophobicContact CH2-CD2 4.46Å; W37-L49 HydrophobicContact CH2-CG 4.15Å; W37-L49 HydrophobicContact CZ2-CD1 4.46Å; W37-L49 HydrophobicContact CZ2-CG 4.31Å; R45-L49 WeakPolarHBondContact O-CG 3.47Å; R45-L49 PolarHBondContact O-N 2.98Å; S46-L49 PolarHBondContact O-N 2.78Å; L49-M51 PolarHBondContact O-N 2.85Å; L49-L52 WeakPolarHBondContact O-CB 3.49Å; L49-L52 PolarHBondContact O-N 3.43Å; L49-V53 WeakPolarHBondContact O-CG2 3.06Å; L49-V53 PolarHBondContact O-N 3.26Å
50	F	92.2	Very high	88.6	Confident	134 Å²	134	99.4 Å²	99.4	59%	0.588	51%	0.507	S	S	*	.	H	α-helix	trans	-60	-45	175.9	-177.8	-96.8	0	0	0	111.7	S46 L47 L52 V53 L54	S46-F50 WeakPolarHBondContact O-CB 3.42Å; S46-F50 PolarHBondContact O-N 3.21Å; L47-F50 PolarHBondContact O-N 3.11Å; F50-L52 VanDerWaalsContact C-N 3.34Å; F50-L52 PolarHBondContact O-N 2.95Å; F50-V53 PolarHBondContact O-N 3.38Å; F50-L54 WeakPolarHBondContact O-CB 3.2Å; F50-L54 PolarHBondContact O-N 2.83Å
51	M	89.8	Confident	88.5	Confident	93 Å²	93	99.8 Å²	99.8	46%	0.458	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-37.3	175.2	-72.4	-62.1	-64.4	0	0	112.7	L47 L49 L54 L55	L47-M51 WeakPolarHBondContact O-CG 3.47Å; L47-M51 PolarHBondContact O-N 3.01Å; L49-M51 PolarHBondContact O-N 2.85Å; M51-L54 HydrophobicContact SD-CD2 4.34Å; M51-L55 WeakPolarHBondContact O-CB 3.26Å; M51-L55 VanDerWaalsContact O-CG 3.24Å; M51-L55 WeakPolarHBondContact O-CG 3.16Å; M51-L55 PolarHBondContact O-N 2.98Å
52	L	91.3	Very high	88	Confident	100 Å²	100	100.3 Å²	100.3	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-44.5	174.3	-96	163.4	0	0	0	112.3	F48 L49 F50 L55 F56	F48-L52 HydrophobicContact CD1-CD1 4.33Å; F48-L52 PolarHBondContact O-N 3.31Å; F48-L52 VanDerWaalsContact O-N 3.1Å; L49-L52 WeakPolarHBondContact O-CB 3.49Å; L49-L52 PolarHBondContact O-N 3.43Å; F50-L52 VanDerWaalsContact C-N 3.34Å; F50-L52 PolarHBondContact O-N 2.95Å; L52-L55 PolarHBondContact O-N 2.69Å; L52-F56 WeakPolarHBondContact O-CB 3.33Å; L52-F56 PolarHBondContact O-N 3.48Å
53	V	92.5	Very high	87.8	Confident	83 Å²	83	96.9 Å²	96.9	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-65.4	-42.8	176.6	172.2	0	0	0	0	110.9	L49 F50 F56 I57	L49-V53 WeakPolarHBondContact O-CG2 3.06Å; L49-V53 PolarHBondContact O-N 3.26Å; F50-V53 PolarHBondContact O-N 3.38Å; V53-F56 PolarHBondContact O-N 3.07Å; V53-I57 HydrophobicContact CG1-CD1 3.79Å; V53-I57 HydrophobicContact CG1-CG1 4.47Å; V53-I57 WeakPolarHBondContact O-CG1 3.39Å; V53-I57 PolarHBondContact O-N 3.24Å
54	L	92.3	Very high	87.1	Confident	75 Å²	75	93.5 Å²	93.5	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-47.4	175.8	-172.2	73.1	0	0	0	111.3	F50 M51 F56 I57 C58	F50-L54 WeakPolarHBondContact O-CB 3.2Å; F50-L54 PolarHBondContact O-N 2.83Å; M51-L54 HydrophobicContact SD-CD2 4.34Å; L54-F56 VanDerWaalsContact C-N 3.31Å; L54-F56 PolarHBondContact O-N 3.38Å; L54-I57 PolarHBondContact O-N 3.06Å; L54-C58 WeakPolarHBondContact O-CB 3.41Å; L54-C58 PolarHBondContact O-N 2.92Å; L54-C58 PolarHBondContact O-SG 2.9Å
55	L	90.7	Very high	86.5	Confident	114 Å²	114	92.4 Å²	92.4	60%	0.597	50%	0.5	S	S	*	.	H	α-helix	trans	-62.5	-36.5	176.6	-75.2	169.8	0	0	0	112.4	M51 L52 G59	M51-L55 WeakPolarHBondContact O-CB 3.26Å; M51-L55 VanDerWaalsContact O-CG 3.24Å; M51-L55 WeakPolarHBondContact O-CG 3.16Å; M51-L55 PolarHBondContact O-N 2.98Å; L52-L55 PolarHBondContact O-N 2.69Å; L55-G59 PolarHBondContact O-N 3.49Å
56	F	90.3	Very high	85.6	Confident	141 Å²	141	92.6 Å²	92.6	62%	0.618	51%	0.51	S	S	*	.	H	α-helix	trans	-66.2	-45.5	175.1	-175.6	-104.9	0	0	0	111.9	L52 V53 L54 G59 L60	L52-F56 WeakPolarHBondContact O-CB 3.33Å; L52-F56 PolarHBondContact O-N 3.48Å; V53-F56 PolarHBondContact O-N 3.07Å; L54-F56 VanDerWaalsContact C-N 3.31Å; L54-F56 PolarHBondContact O-N 3.38Å; F56-G59 PolarHBondContact O-N 3.08Å; F56-L60 HydrophobicContact CD1-CD1 4.02Å; F56-L60 HydrophobicContact CE1-CD1 3.56Å; F56-L60 HydrophobicContact CE1-CG 4.31Å; F56-L60 HydrophobicContact CZ-CD1 3.98Å; F56-L60 HydrophobicContact CZ-CG 4.4Å; F56-L60 WeakPolarHBondContact O-CG 3.34Å; F56-L60 PolarHBondContact O-N 3.21Å
57	I	90.8	Very high	84.8	Confident	101 Å²	101	91.4 Å²	91.4	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-46	176.5	-67	166.9	0	0	0	110.8	V53 L54 G59 L60 A61	V53-I57 HydrophobicContact CG1-CD1 3.79Å; V53-I57 HydrophobicContact CG1-CG1 4.47Å; V53-I57 WeakPolarHBondContact O-CG1 3.39Å; V53-I57 PolarHBondContact O-N 3.24Å; L54-I57 PolarHBondContact O-N 3.06Å; I57-G59 VanDerWaalsContact C-N 3.3Å; I57-G59 PolarHBondContact O-N 3.31Å; I57-L60 PolarHBondContact O-N 3.42Å; I57-A61 WeakPolarHBondContact O-CB 3.49Å; I57-A61 PolarHBondContact O-N 3.42Å
58	C	87.7	Confident	83.9	Confident	64 Å²	64	94.2 Å²	94.2	43%	0.432	51%	0.507	S	S	.	.	H	α-helix	trans	-60.4	-40.3	173.6	-69.9	0	0	0	0	111.6	L54 A61 S62	L54-C58 WeakPolarHBondContact O-CB 3.41Å; L54-C58 PolarHBondContact O-N 2.92Å; L54-C58 PolarHBondContact O-SG 2.9Å; C58-A61 PolarHBondContact O-N 3.49Å; C58-S62 VanDerWaalsContact O-CB 3.31Å; C58-S62 WeakPolarHBondContact O-CB 3.47Å; C58-S62 PolarHBondContact O-N 3.47Å; C58-S62 PolarHBondContact O-OG 3.08Å
59	G	87.6	Confident	82.8	Confident	39 Å²	39	94.5 Å²	94.5	40%	0.402	51%	0.51	S	S	.	.	H	α-helix	trans	-59.2	-47.5	175.1	0	0	0	0	0	112.7	L55 F56 I57 S62 Y63	L55-G59 PolarHBondContact O-N 3.49Å; F56-G59 PolarHBondContact O-N 3.08Å; I57-G59 VanDerWaalsContact C-N 3.3Å; I57-G59 PolarHBondContact O-N 3.31Å; G59-S62 PolarHBondContact O-N 3.01Å; G59-Y63 VanDerWaalsContact O-CB 3.24Å; G59-Y63 WeakPolarHBondContact O-CB 3.43Å; G59-Y63 PolarHBondContact O-N 3.48Å
60	L	84.8	Confident	81.3	Confident	100 Å²	100	95.2 Å²	95.2	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-43.3	176	-69.7	175.5	0	0	0	112.4	F56 I57 Y63 S64	F56-L60 HydrophobicContact CD1-CD1 4.02Å; F56-L60 HydrophobicContact CE1-CD1 3.56Å; F56-L60 HydrophobicContact CE1-CG 4.31Å; F56-L60 HydrophobicContact CZ-CD1 3.98Å; F56-L60 HydrophobicContact CZ-CG 4.4Å; F56-L60 WeakPolarHBondContact O-CG 3.34Å; F56-L60 PolarHBondContact O-N 3.21Å; I57-L60 PolarHBondContact O-N 3.42Å; L60-Y63 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-N 2.99Å
61	A	80.7	Confident	79.9	Confident	60 Å²	60	98.6 Å²	98.6	50%	0.496	52%	0.523	S	S	.	.	H	α-helix	trans	-61.9	-48.8	176.6	0	0	0	0	0	111.4	I57 C58 Y63 S64	I57-A61 WeakPolarHBondContact O-CB 3.49Å; I57-A61 PolarHBondContact O-N 3.42Å; C58-A61 PolarHBondContact O-N 3.49Å; A61-Y63 PolarHBondContact O-N 3.32Å; A61-S64 PolarHBondContact O-N 3.47Å; A61-S64 PolarHBondContact O-OG 2.85Å
62	S	78.1	Confident	78.7	Confident	68 Å²	68	95.5 Å²	95.5	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-37.4	177.2	-63	0	0	0	0	112.6	C58 G59 S64 S65 V66	C58-S62 VanDerWaalsContact O-CB 3.31Å; C58-S62 WeakPolarHBondContact O-CB 3.47Å; C58-S62 PolarHBondContact O-N 3.47Å; C58-S62 PolarHBondContact O-OG 3.08Å; G59-S62 PolarHBondContact O-N 3.01Å; S62-S64 VanDerWaalsContact C-N 3.28Å; S62-S64 PolarHBondContact O-N 3.38Å; S62-S65 PolarHBondContact O-N 3.2Å; S62-V66 WeakPolarHBondContact O-CG2 3.48Å; S62-V66 PolarHBondContact O-N 3.03Å
63	Y	75.4	Confident	77.2	Confident	160 Å²	160	97.7 Å²	97.7	63%	0.627	52%	0.52	S	S	*	.	H	α-helix	trans	-57.4	-40.9	177.7	-177.8	-102.9	0	0	0	111.9	G59 L60 A61 S65 T67	G59-Y63 VanDerWaalsContact O-CB 3.24Å; G59-Y63 WeakPolarHBondContact O-CB 3.43Å; G59-Y63 PolarHBondContact O-N 3.48Å; L60-Y63 PolarHBondContact O-N 3.46Å; A61-Y63 PolarHBondContact O-N 3.32Å; Y63-S65 VanDerWaalsContact C-N 3.27Å; Y63-S65 PolarHBondContact O-N 2.62Å; Y63-T67 HydrophobicContact CD1-CG2 4.25Å; Y63-T67 HydrophobicContact CD2-CG2 4.18Å; Y63-T67 HydrophobicContact CE1-CG2 3.92Å; Y63-T67 HydrophobicContact CE2-CG2 3.84Å; Y63-T67 HydrophobicContact CG-CG2 4.38Å; Y63-T67 WeakPolarHBondContact O-CB 3.4Å; Y63-T67 VanDerWaalsContact O-CG2 3.31Å; Y63-T67 WeakPolarHBondContact O-CG2 3.39Å; Y63-T67 PolarHBondContact O-N 2.89Å; Y63-T67 PolarHBondContact O-OG1 2.7Å
64	S	71.4	Confident	75.4	Confident	60 Å²	60	98.8 Å²	98.8	42%	0.42	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-31.3	175.4	80.8	0	0	0	0	113.5	L60 A61 S62 T67 K68	L60-S64 PolarHBondContact O-N 2.99Å; A61-S64 PolarHBondContact O-N 3.47Å; A61-S64 PolarHBondContact O-OG 2.85Å; S62-S64 VanDerWaalsContact C-N 3.28Å; S62-S64 PolarHBondContact O-N 3.38Å; S64-T67 PolarHBondContact O-OG1 2.94Å; S64-K68 WeakPolarHBondContact O-CD 3.05Å; S64-K68 VanDerWaalsContact O-CG 3.25Å; S64-K68 WeakPolarHBondContact O-CG 3.41Å; S64-K68 PolarHBondContact O-N 2.91Å
65	S	73.5	Confident	73.5	Confident	74 Å²	74	97.6 Å²	97.6	52%	0.517	52%	0.52	S	S	.	.	H	α-helix	trans	-83	-44.8	-179.5	-158	0	0	0	0	111.3	S62 Y63 T67 K68 Q69	S62-S65 PolarHBondContact O-N 3.2Å; Y63-S65 VanDerWaalsContact C-N 3.27Å; Y63-S65 PolarHBondContact O-N 2.62Å; S65-T67 PolarHBondContact O-N 2.69Å; S65-K68 PolarHBondContact O-N 3.26Å; S65-Q69 WeakPolarHBondContact O-CB 3.47Å; S65-Q69 PolarHBondContact O-N 2.86Å
66	V	71.8	Confident	71.7	Confident	82 Å²	82	97.3 Å²	97.3	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-62.6	-42.8	176.6	173.5	0	0	0	0	111.2	S62 Q69 L70	S62-V66 WeakPolarHBondContact O-CG2 3.48Å; S62-V66 PolarHBondContact O-N 3.03Å; V66-Q69 PolarHBondContact O-N 2.88Å; V66-L70 WeakPolarHBondContact O-CB 3.45Å; V66-L70 PolarHBondContact O-N 3.11Å
67	T	69.5	Low	69.5	Low	54 Å²	54	99.7 Å²	99.7	33%	0.331	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-38.1	177.2	50	0	0	0	0	112.7	Y63 S64 S65 L70 R71	Y63-T67 HydrophobicContact CD1-CG2 4.25Å; Y63-T67 HydrophobicContact CD2-CG2 4.18Å; Y63-T67 HydrophobicContact CE1-CG2 3.92Å; Y63-T67 HydrophobicContact CE2-CG2 3.84Å; Y63-T67 HydrophobicContact CG-CG2 4.38Å; Y63-T67 WeakPolarHBondContact O-CB 3.4Å; Y63-T67 VanDerWaalsContact O-CG2 3.31Å; Y63-T67 WeakPolarHBondContact O-CG2 3.39Å; Y63-T67 PolarHBondContact O-N 2.89Å; Y63-T67 PolarHBondContact O-OG1 2.7Å; S64-T67 PolarHBondContact O-OG1 2.94Å; S65-T67 PolarHBondContact O-N 2.69Å; T67-L70 PolarHBondContact O-N 3.16Å; T67-R71 WeakPolarHBondContact O-CB 3.14Å; T67-R71 PolarHBondContact O-N 3.28Å
68	K	69.9	Low	67.6	Low	158 Å²	158	101 Å²	101	69%	0.687	53%	0.528	S	S	*	.	H	α-helix	trans	-62.5	-43.3	170.9	-75.8	174.7	-177	179.8	0	111.8	S64 S65 R71 G72	S64-K68 WeakPolarHBondContact O-CD 3.05Å; S64-K68 VanDerWaalsContact O-CG 3.25Å; S64-K68 WeakPolarHBondContact O-CG 3.41Å; S64-K68 PolarHBondContact O-N 2.91Å; S65-K68 PolarHBondContact O-N 3.26Å; K68-R71 PolarHBondContact O-N 3.31Å; K68-G72 PolarHBondContact O-N 3.07Å
69	Q	68.4	Low	65.5	Low	130 Å²	130	103.9 Å²	103.9	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-68.7	-34	178.7	-161.9	175.9	13.8	0	0	112.6	S65 V66 K73	S65-Q69 WeakPolarHBondContact O-CB 3.47Å; S65-Q69 PolarHBondContact O-N 2.86Å; V66-Q69 PolarHBondContact O-N 2.88Å; Q69-K73 PolarHBondContact O-N 2.75Å; Q69-K73 VanDerWaalsContact O-N 3.11Å
70	L	58.5	Low	63.4	Low	109 Å²	109	108.6 Å²	108.6	57%	0.571	55%	0.546	S	S	*	.	H	α-helix	trans	-68	-44.8	173.1	-136.1	76.6	0	0	0	111.5	V66 T67 G72 K73 L74	V66-L70 WeakPolarHBondContact O-CB 3.45Å; V66-L70 PolarHBondContact O-N 3.11Å; T67-L70 PolarHBondContact O-N 3.16Å; L70-G72 VanDerWaalsContact C-N 3.35Å; L70-G72 PolarHBondContact O-N 3.09Å; L70-K73 PolarHBondContact O-N 2.8Å; L70-L74 WeakPolarHBondContact O-CD1 3.38Å; L70-L74 PolarHBondContact O-N 2.76Å
71	R	63.8	Low	61.4	Low	206 Å²	206	108.2 Å²	108.2	78%	0.777	55%	0.548	S	S	*	.	H	α-helix	trans	-62.7	-40.2	176.5	-176.5	175.7	-88.1	-174.8	-6.9	111.6	T67 K68 K73 L74 S75	T67-R71 WeakPolarHBondContact O-CB 3.14Å; T67-R71 PolarHBondContact O-N 3.28Å; K68-R71 PolarHBondContact O-N 3.31Å; R71-K73 VanDerWaalsContact C-N 3.34Å; R71-K73 PolarHBondContact O-N 3.24Å; R71-L74 PolarHBondContact O-N 3.15Å; R71-S75 PolarHBondContact O-N 2.82Å; R71-S75 PolarHBondContact O-OG 3.12Å
72	G	64.3	Low	59.6	Low	28 Å²	28	112.4 Å²	112.4	29%	0.289	56%	0.558	S	S	.	*	H	α-helix	trans	-64.5	-33.3	173.3	0	0	0	0	0	114	K68 L70 S75 L76	K68-G72 PolarHBondContact O-N 3.07Å; L70-G72 VanDerWaalsContact C-N 3.35Å; L70-G72 PolarHBondContact O-N 3.09Å; G72-S75 PolarHBondContact O-OG 2.73Å; G72-S75 VanDerWaalsContact O-OG 3.11Å; G72-L76 WeakPolarHBondContact O-CG 3.46Å; G72-L76 PolarHBondContact O-N 3.16Å; G72-L76 VanDerWaalsContact O-N 3.14Å
73	K	60.3	Low	57.5	Low	145 Å²	145	113.3 Å²	113.3	63%	0.63	56%	0.564	S	S	*	*	H	α-helix	trans	-73.3	-29.7	172.5	-79	-171.7	175.2	-173.9	0	113.4	Q69 L70 R71 R77	Q69-K73 PolarHBondContact O-N 2.75Å; Q69-K73 VanDerWaalsContact O-N 3.11Å; L70-K73 PolarHBondContact O-N 2.8Å; R71-K73 VanDerWaalsContact C-N 3.34Å; R71-K73 PolarHBondContact O-N 3.24Å; K73-R77 PolarHBondContact O-N 3.08Å
74	L	53.4	Low	55.6	Low	106 Å²	106	112.2 Å²	112.2	56%	0.555	57%	0.569	S	S	*	*	H	α-helix	trans	-69.8	-46.8	170.2	-94.6	82.8	0	0	0	111.4	L70 R71 L76 R77 E78	L70-L74 WeakPolarHBondContact O-CD1 3.38Å; L70-L74 PolarHBondContact O-N 2.76Å; R71-L74 PolarHBondContact O-N 3.15Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.23Å; L74-R77 WeakPolarHBondContact O-CA 3.47Å; L74-R77 WeakPolarHBondContact O-CB 3.48Å; L74-R77 PolarHBondContact O-N 3.18Å; L74-E78 PolarHBondContact O-N 2.86Å
75	S	53.1	Low	54.1	Low	51 Å²	51	116 Å²	116	36%	0.357	58%	0.583	S	S	.	*	H	α-helix	trans	-65	-34.3	-178.3	64.3	0	0	0	0	113.2	R71 G72 R77 E78 Q79	R71-S75 PolarHBondContact O-N 2.82Å; R71-S75 PolarHBondContact O-OG 3.12Å; G72-S75 PolarHBondContact O-OG 2.73Å; G72-S75 VanDerWaalsContact O-OG 3.11Å; S75-R77 VanDerWaalsContact C-N 3.31Å; S75-R77 PolarHBondContact O-N 3.39Å; S75-E78 PolarHBondContact O-N 3.12Å; S75-Q79 PolarHBondContact O-N 3.49Å
76	L	51.6	Low	52.2	Low	107 Å²	107	120.1 Å²	120.1	56%	0.56	60%	0.598	S	S	*	*	H	α-helix	trans	-64.3	-36.3	172.1	-76.6	167.3	0	0	0	112.2	G72 L74 Q79 E80	G72-L76 WeakPolarHBondContact O-CG 3.46Å; G72-L76 PolarHBondContact O-N 3.16Å; G72-L76 VanDerWaalsContact O-N 3.14Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.23Å; L76-Q79 PolarHBondContact O-N 3.32Å; L76-E80 PolarHBondContact O-N 2.98Å
77	R	45	Very low	50.2	Low	192 Å²	192	124.9 Å²	124.9	73%	0.725	62%	0.615	S	S	*	*	H	α-helix	trans	-72.3	-31	177	-167.7	175.2	-179.1	179.3	-0.3	112.4	K73 L74 S75 T81	K73-R77 PolarHBondContact O-N 3.08Å; L74-R77 WeakPolarHBondContact O-CA 3.47Å; L74-R77 WeakPolarHBondContact O-CB 3.48Å; L74-R77 PolarHBondContact O-N 3.18Å; S75-R77 VanDerWaalsContact C-N 3.31Å; S75-R77 PolarHBondContact O-N 3.39Å; R77-T81 PolarHBondContact O-N 2.88Å; R77-T81 PolarHBondContact O-OG1 2.73Å
78	E	50.8	Low	48.2	Very low	128 Å²	128	131.8 Å²	131.8	60%	0.598	64%	0.641	S	S	*	*	H	α-helix	trans	-70.7	-42.8	170.8	-71.4	171.3	148.1	0	0	110.9	L74 S75 E80 T81 E82	L74-E78 PolarHBondContact O-N 2.86Å; S75-E78 PolarHBondContact O-N 3.12Å; E78-E80 PolarHBondContact O-N 3.2Å; E78-T81 WeakPolarHBondContact O-CA 3.36Å; E78-T81 WeakPolarHBondContact O-CB 3.49Å; E78-T81 PolarHBondContact O-N 3.38Å; E78-E82 PolarHBondContact O-N 3.31Å
79	Q	44.2	Very low	46.4	Very low	124 Å²	124	129.8 Å²	129.8	58%	0.579	64%	0.644	S	S	*	*	H	α-helix	trans	-65.8	-34.7	175.8	-76.3	-171.9	-54.9	0	0	114.2	S75 L76 T81 S83	S75-Q79 PolarHBondContact O-N 3.49Å; L76-Q79 PolarHBondContact O-N 3.32Å; Q79-T81 PolarHBondContact O-N 2.92Å; Q79-S83 VanDerWaalsContact O-CB 3.29Å; Q79-S83 WeakPolarHBondContact O-CB 3.48Å; Q79-S83 PolarHBondContact O-N 3.08Å; Q79-S83 PolarHBondContact O-OG 3.34Å
80	E	43.1	Very low	44.5	Very low	139 Å²	139	132.6 Å²	132.6	65%	0.65	65%	0.654	S	S	*	*	H	α-helix	trans	-65.3	-23.1	170	-78.7	-174.7	151	0	0	112.8	L76 E78 N84	L76-E80 PolarHBondContact O-N 2.98Å; E78-E80 PolarHBondContact O-N 3.2Å; E80-N84 PolarHBondContact O-ND2 3.46Å
81	T	42.4	Very low	43.1	Very low	92 Å²	92	137 Å²	137	56%	0.564	67%	0.669	S	S	*	*	H	α-helix	trans	-85.7	-39.3	178.9	-50.2	0	0	0	0	111.6	R77 E78 Q79	R77-T81 PolarHBondContact O-N 2.88Å; R77-T81 PolarHBondContact O-OG1 2.73Å; E78-T81 WeakPolarHBondContact O-CA 3.36Å; E78-T81 WeakPolarHBondContact O-CB 3.49Å; E78-T81 PolarHBondContact O-N 3.38Å; Q79-T81 PolarHBondContact O-N 2.92Å
82	E	42.5	Very low	41.6	Very low	148 Å²	148	131.6 Å²	131.6	69%	0.692	66%	0.66	S	S	*	*	H	α-helix	trans	-75.7	-33.8	177.2	-69.6	-168.8	136.7	0	0	113.6	E78 N84 I85	E78-E82 PolarHBondContact O-N 3.31Å; E82-N84 PolarHBondContact O-N 3.17Å; E82-N84 VanDerWaalsContact O-N 3.1Å; E82-I85 PolarHBondContact O-N 3.47Å
83	S	34.7	Very low	40	Very low	87 Å²	87	138.9 Å²	138.9	61%	0.608	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-12.2	-179.3	50.8	0	0	0	0	114.7	Q79	Q79-S83 VanDerWaalsContact O-CB 3.29Å; Q79-S83 WeakPolarHBondContact O-CB 3.48Å; Q79-S83 PolarHBondContact O-N 3.08Å; Q79-S83 PolarHBondContact O-OG 3.34Å
84	N	36.5	Very low	38.6	Very low	137 Å²	137	138 Å²	138	73%	0.733	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-0.1	177.6	-81.3	-66.5	0	0	0	114.9	E80 E82	E80-N84 PolarHBondContact O-ND2 3.46Å; E82-N84 PolarHBondContact O-N 3.17Å; E82-N84 VanDerWaalsContact O-N 3.1Å
85	I	38.7	Very low	37.5	Very low	139 Å²	139	140.8 Å²	140.8	71%	0.713	71%	0.708	S	S	*	*	S	Bend	trans	-108.2	-7.8	-174.3	-62.1	-177.9	0	0	0	113.6	E82	E82-I85 PolarHBondContact O-N 3.47Å
86	L	33.6	Very low	36.6	Very low	161 Å²	161	144 Å²	144	84%	0.843	73%	0.727	S	S	*	*			trans	-113.4	70.1	-179.8	-124.5	99.6	0	0	0	115.2
87	Q	29.4	Very low	35.6	Very low	181 Å²	181	147.5 Å²	147.5	85%	0.846	74%	0.741	S	S	*	*			trans	-139.2	87.6	157	-78	-162.6	0.2	0	0	112.9
88	K	29.1	Very low	35.9	Very low	200 Å²	200	143.4 Å²	143.4	87%	0.87	74%	0.739	S	S	*	*	S	Bend		176.5	159.1	127.4	-95.3	164.7	-176.2	178.2	0	111.9
89	P	31.8	Very low	34.8	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	76%	0.755	S	S	*	*			trans	-104.8	142.9	-142.5	37.4	-36	0	0	0	117.4
90	F	28.2	Very low	34.2	Very low	188 Å²	188	147.4 Å²	147.4	83%	0.825	77%	0.765	S	S	*	*			trans	32.8	122.6	131.2	-123.8	-93.5	0	0	0	121.3	P92	F90-P92 HydrophobicContact CE1-CG 4.36Å
91	K	29.3	Very low	33.4	Very low	201 Å²	201	149.9 Å²	149.9	87%	0.874	78%	0.776	S	S	*	*				-166.2	133.9	127.9	-107.3	176.6	-173	-175	0	110.9
92	P	32.7	Very low	32.7	Very low	93 Å²	93	148.6 Å²	148.6	60%	0.604	78%	0.781	S	S	*	*			trans	-100.3	147	179.2	36.7	-31.9	0	0	0	112.9	F90	F90-P92 HydrophobicContact CE1-CG 4.36Å
93	H	29.1	Very low	32	Very low	181 Å²	181	150.5 Å²	150.5	84%	0.838	79%	0.791	S	S	*	*			trans	-143.4	105.9	161.2	-90.3	-56.9	0	0	0	112.9
94	V	32.2	Very low	31.6	Very low	128 Å²	128	153.3 Å²	153.3	78%	0.776	80%	0.799	S	S	*	*				27.8	119.3	129.4	-173.9	0	0	0	0	118.2
95	L	29.9	Very low	32	Very low	164 Å²	164	151.3 Å²	151.3	86%	0.859	79%	0.793	S	S	*	*			trans	-69.8	147.5	160.3	-80.5	161.3	0	0	0	112
96	P	34.2	Very low	31.4	Very low	118 Å²	118	152 Å²	152	77%	0.766	80%	0.797	S	S	*	*				-129.8	140	129.8	34.3	-24.7	0	0	0	113.5
97	E	29.4	Very low	30.9	Very low	181 Å²	181	151.1 Å²	151.1	85%	0.846	79%	0.793	S	S	*	*			trans	-74.6	177.7	158.2	-89.3	-166.9	147.2	0	0	111.1
98	P	51.5	Low	30.9	Very low	105 Å²	105	149.1 Å²	149.1	68%	0.682	78%	0.784	S	S	*	*			cis	-138.4	155.4	-38.3	35.9	-20.5	0	0	0	113.3
99	V	29.2	Very low	30.7	Very low	153 Å²	153	146.7 Å²	146.7	93%	0.927	78%	0.775	S	S	*	*			trans	-143.6	145.4	158.4	-173.7	0	0	0	0	111.1
100	K	30	Very low	30.3	Very low	183 Å²	183	148 Å²	148	80%	0.796	78%	0.775	S	S	*	*			trans	-104.7	161.4	-176.9	-74.7	179.4	173.8	176.5	0	113.7
101	Q	26.9	Very low	30.2	Very low	191 Å²	191	144 Å²	144	89%	0.893	77%	0.771	S	S	*	*			trans	82.5	137.2	147.2	-85	172.6	-32.1	0	0	122.6
102	G	27.7	Very low	30.1	Very low	65 Å²	65	142.4 Å²	142.4	67%	0.67	77%	0.766	S	S	*	*			trans	84	106.5	157.8	0	0	0	0	0	116
103	Q	27.1	Very low	29.7	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	78%	0.778	S	S	*	*				46.3	116	77.5	-68.3	-179.4	-58.9	0	0	111.8
104	D	27.4	Very low	29.6	Very low	145 Å²	145	150.3 Å²	150.3	78%	0.775	78%	0.783	S	S	*	*				-169.1	-169.5	51.8	-115.3	-11.9	0	0	0	109.7
105	P	43.8	Very low	29.3	Very low	95 Å²	95	152.2 Å²	152.2	62%	0.617	79%	0.788	S	S	*	*			cis	-137.4	177.6	-31.8	37.7	-19.5	0	0	0	115.2
106	L	26.3	Very low	29.2	Very low	153 Å²	153	148.5 Å²	148.5	80%	0.801	78%	0.775	S	S	*	*			trans	67.7	132.2	149.6	-74.2	163	0	0	0	124
107	L	24.8	Very low	29	Very low	143 Å²	143	150.1 Å²	150.1	75%	0.749	78%	0.778	S	S	*	*			trans	6.7	150.1	150.4	-86.1	66	0	0	0	120.9
108	E	27.3	Very low	29.1	Very low	140 Å²	140	150.8 Å²	150.8	65%	0.654	78%	0.778	S	S	*	*			cis	-165.6	164.4	24.6	-137.7	-172.9	128.9	0	0	113.9
109	Q	26.6	Very low	28	Very low	148 Å²	148	158 Å²	158	69%	0.692	79%	0.791	S	S	*	*			trans	63.2	144.1	157.7	-66.3	-174.6	23.8	0	0	119
110	L	23.5	Very low	28	Very low	143 Å²	143	154 Å²	154	75%	0.749	78%	0.781	S	S	*	*			cis	-159.1	164	7	-120.5	164.7	0	0	0	111.2
111	S	25.7	Very low	28	Very low	106 Å²	106	151.3 Å²	151.3	74%	0.741	78%	0.783	S	S	*	*			trans	108.2	99.1	156.2	80.2	0	0	0	0	121.8
112	Q	26.4	Very low	28.4	Very low	166 Å²	166	148.4 Å²	148.4	78%	0.776	78%	0.78	S	S	*	*			trans	62.2	106.7	136.6	-58.3	-162	7	0	0	124.1
113	R	24.7	Very low	28.5	Very low	225 Å²	225	151.9 Å²	151.9	85%	0.849	79%	0.788	S	S	*	*				62.7	119.5	124	-67.9	179.2	170.1	174.6	-2.7	120.7
114	K	27	Very low	28.6	Very low	216 Å²	216	150.9 Å²	150.9	94%	0.939	79%	0.788	S	S	*	*			trans	-134.2	142.1	130.7	-86.2	-174.5	178.6	172.9	0	110.8
115	L	26.7	Very low	28.6	Very low	168 Å²	168	151.9 Å²	151.9	88%	0.88	79%	0.792	S	S	*	*			trans	-119.9	155.1	175.1	-117.1	167.1	0	0	0	108.9
116	S	27.9	Very low	28	Very low	85 Å²	85	154.9 Å²	154.9	59%	0.594	80%	0.803	S	S	*	*			trans	-77.8	161.2	176.8	56.5	0	0	0	0	112.6
117	N	29.1	Very low	27.9	Very low	153 Å²	153	159 Å²	159	82%	0.818	81%	0.808	S	S	*	*				177	152	111.2	-88.1	-18.7	0	0	0	114.8
118	K	31.5	Very low	28	Very low	194 Å²	194	160.4 Å²	160.4	84%	0.843	82%	0.815	S	S	*	*			trans	-76.3	154.5	159.9	-60.3	173.5	176.3	177.8	0	110.1
119	R	29.3	Very low	28.1	Very low	256 Å²	256	162.2 Å²	162.2	97%	0.966	82%	0.824	S	S	*	*			trans	-178.4	163	131.4	-100.3	164.1	-171.9	-161.7	1.8	112.4
120	G	28.1	Very low	28	Very low	70 Å²	70	165.5 Å²	165.5	72%	0.722	84%	0.836	S	S	*	*			trans	-90	-160.5	-168.2	0	0	0	0	0	116.6
121	P	31	Very low	28.1	Very low	127 Å²	127	168.6 Å²	168.6	83%	0.825	84%	0.843	S	S	*	*			trans	-85.1	160.9	-161.9	34.3	-37	0	0	0	115.1
122	P	34.9	Very low	28.1	Very low	130 Å²	130	167 Å²	167	84%	0.844	84%	0.844	S	S	*	*			trans	-95.9	155.7	-170.1	37.2	-35.7	0	0	0	115.2
123	V	29.5	Very low	28.1	Very low	137 Å²	137	166.5 Å²	166.5	83%	0.83	85%	0.847	S	S	*	*			trans	-106.6	142.2	167.3	171.5	0	0	0	0	109.6
124	L	28.9	Very low	28.2	Very low	169 Å²	169	160.5 Å²	160.5	89%	0.885	85%	0.845	S	S	*	*			trans	-73.1	142.8	174.4	-80.7	154.2	0	0	0	111.8
125	L	28.6	Very low	28.2	Very low	165 Å²	165	155.8 Å²	155.8	86%	0.864	84%	0.839	S	S	*	*			trans	-146	150.9	165.1	-126.8	147.1	0	0	0	113.4
126	N	29.9	Very low	28.2	Very low	159 Å²	159	155.3 Å²	155.3	85%	0.85	84%	0.837	S	S	*	*			trans	-72.7	168.9	-164.6	-71.6	-42	0	0	0	115.6
127	R	24.9	Very low	28.1	Very low	238 Å²	238	159.2 Å²	159.2	90%	0.898	85%	0.85	S	S	*	*			trans	-118.4	124.3	169.7	-149.8	-173.3	-153.7	-172.9	7.6	109.2
128	L	26.5	Very low	27.9	Very low	173 Å²	173	159.9 Å²	159.9	91%	0.906	85%	0.853	S	S	*	*			trans	-176.7	155	132.5	-99	164.2	0	0	0	111.4
129	Q	29.2	Very low	27.7	Very low	179 Å²	179	155.4 Å²	155.4	84%	0.836	85%	0.846	S	S	*	*			trans	-108.1	155.9	-163	-55.5	164.3	-55.4	0	0	112.8
130	K	25.1	Very low	27.5	Very low	216 Å²	216	152.4 Å²	152.4	94%	0.939	84%	0.843	S	S	*	*				-158.9	160.4	123.8	-118.9	175.5	-179.8	179.3	0	113.4
131	K	26.3	Very low	27.2	Very low	208 Å²	208	155.2 Å²	155.2	90%	0.904	85%	0.846	S	S	*	*			trans	-93.3	161.4	-168.9	-65.9	173.8	168.6	-179	0	113.4
132	G	24.6	Very low	26.9	Very low	73 Å²	73	159.1 Å²	159.1	75%	0.753	85%	0.85	S	S	*	*			trans	175.8	88.8	157.2	0	0	0	0	0	116.5
133	N	25.8	Very low	26.4	Very low	156 Å²	156	159 Å²	159	83%	0.834	85%	0.846	S	S	*	*			trans	10.6	124.8	154.6	-57.8	-0.8	0	0	0	120.1
134	A	27.8	Very low	26.2	Very low	99 Å²	99	156.7 Å²	156.7	82%	0.818	84%	0.842	S	S	*	*				76.1	143.5	92.6	0	0	0	0	0	114.5
135	S	27.5	Very low	26.1	Very low	116 Å²	116	156.1 Å²	156.1	81%	0.811	84%	0.84	S	S	*	*			cis	-154.7	166.8	25.8	52.5	0	0	0	0	114.5
136	N	26.7	Very low	26	Very low	158 Å²	158	155.7 Å²	155.7	85%	0.845	84%	0.836	S	S	*	*			trans	-70	151.5	175.7	-57.2	-29.1	0	0	0	114.3
137	I	25.3	Very low	25.8	Very low	167 Å²	167	157.2 Å²	157.2	86%	0.856	84%	0.836	S	S	*	*			trans	-138.9	143.1	134.4	-65.2	-170.5	0	0	0	108.3
138	L	25.4	Very low	25.8	Very low	167 Å²	167	155.7 Å²	155.7	87%	0.874	84%	0.836	S	S	*	*			trans	-130.5	128.1	179.8	-171.4	136.5	0	0	0	108.4
139	S	25.7	Very low	25.8	Very low	101 Å²	101	156 Å²	156	71%	0.706	83%	0.832	S	S	*	*			trans	-154.7	110.3	173	60.8	0	0	0	0	113.2
140	E	25.1	Very low	25.7	Very low	192 Å²	192	150.9 Å²	150.9	90%	0.897	83%	0.828	S	S	*	*			trans	58.2	130.9	143.4	-59.9	-169.6	146.2	0	0	122.5
141	V	23.1	Very low	25.7	Very low	130 Å²	130	150.1 Å²	150.1	79%	0.788	83%	0.827	S	S	*	*			trans	-83.7	133.5	173.1	173.3	0	0	0	0	110	V143	V141-V143 HydrophobicContact CG1-CG2 4.38Å
142	K	24.3	Very low	25.7	Very low	208 Å²	208	149 Å²	149	90%	0.904	83%	0.826	S	S	*	*			trans	-128.7	132.2	151.1	-84.5	-173.3	175.7	176.7	0	110
143	V	25.3	Very low	25.9	Very low	127 Å²	127	154.6 Å²	154.6	77%	0.77	83%	0.832	S	S	*	*			trans	-81.2	136.1	179.1	176.7	0	0	0	0	109.4	V141	V141-V143 HydrophobicContact CG1-CG2 4.38Å
144	A	25.1	Very low	25.8	Very low	89 Å²	89	158.6 Å²	158.6	74%	0.736	84%	0.835	S	S	*	*			trans	-150.4	124.7	161.7	0	0	0	0	0	109.3
145	D	26.5	Very low	25.8	Very low	157 Å²	157	160.3 Å²	160.3	84%	0.84	84%	0.835	S	S	*	*			trans	-68	127.3	178.1	-66.6	-71.4	0	0	0	112.1
146	I	25.7	Very low	25.9	Very low	156 Å²	156	161.8 Å²	161.8	80%	0.8	83%	0.833	S	S	*	*			trans	-137.6	119.5	158.5	-62.9	-174.9	0	0	0	109
147	K	25.8	Very low	26	Very low	191 Å²	191	158.7 Å²	158.7	83%	0.83	82%	0.824	S	S	*	*			trans	-59.1	137.2	167.9	-65.2	171.7	175.5	177.8	0	109.6
148	K	25.5	Very low	26.8	Very low	207 Å²	207	158.4 Å²	158.4	90%	0.9	81%	0.812	S	S	*	*			trans	-105.8	117.4	160	-87.6	-167.3	168.5	-167.8	0	109.9
149	E	26.3	Very low	27.1	Very low	178 Å²	178	160.6 Å²	160.6	83%	0.832	81%	0.808	S	S	*	*			trans	-72.7	163.7	169.3	-68.6	165.6	151.9	0	0	110
150	G	26.5	Very low	27.5	Very low	72 Å²	72	160.3 Å²	160.3	74%	0.742	82%	0.821	S	S	*	*			trans	-68.7	153.3	-171.4	0	0	0	0	0	114	E152	G150-E152 PolarHBondContact O-N 2.9Å
151	E	24.7	Very low	27.6	Very low	200 Å²	200	154.9 Å²	154.9	94%	0.935	81%	0.809	S	S	*	*			trans	-79.2	111.5	170.5	-66.3	-179.7	141.7	0	0	109.3
152	E	27.7	Very low	27.9	Very low	186 Å²	186	155 Å²	155	87%	0.869	81%	0.811	S	S	*	*			trans	-72.3	132.4	167.8	-70.2	-176.7	140.8	0	0	110.5	G150 R154	G150-E152 PolarHBondContact O-N 2.9Å; E152-R154 PolarHBondContact O-N 3.2Å
153	E	27.7	Very low	28.1	Very low	190 Å²	190	152.5 Å²	152.5	89%	0.888	81%	0.805	S	S	*	*			trans	-62	121.4	172.7	-72.4	-175.7	117.6	0	0	110.5	V155	E153-V155 PolarHBondContact O-N 3.37Å; E153-V155 VanDerWaalsContact O-N 3.08Å
154	R	24.6	Very low	28.2	Very low	239 Å²	239	153.1 Å²	153.1	90%	0.902	80%	0.804	S	S	*	*			trans	-71.3	105.7	176.3	-67.1	-176.1	-172.6	175.3	3.4	110.6	E152 I156	E152-R154 PolarHBondContact O-N 3.2Å; R154-I156 PolarHBondContact O-N 2.72Å
155	V	28.3	Very low	28.2	Very low	135 Å²	135	155.5 Å²	155.5	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-60.6	119.7	166.9	-179.7	0	0	0	0	109.3	E153 S157	E153-V155 PolarHBondContact O-N 3.37Å; E153-V155 VanDerWaalsContact O-N 3.08Å; V155-S157 PolarHBondContact O-N 3.5Å
156	I	29.3	Very low	28.3	Very low	148 Å²	148	154.8 Å²	154.8	76%	0.759	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.7	120.4	176.4	-62	175.6	0	0	0	108.5	R154	R154-I156 PolarHBondContact O-N 2.72Å
157	S	29.3	Very low	28.5	Very low	93 Å²	93	156 Å²	156	65%	0.65	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.6	131.1	176.8	177.6	0	0	0	0	111.6	V155 R159	V155-S157 PolarHBondContact O-N 3.5Å; S157-R159 PolarHBondContact O-N 3.08Å
158	W	41.3	Very low	28.5	Very low	160 Å²	160	152 Å²	152	61%	0.606	82%	0.815	S	S	*	*	S	Bend	trans	-73.1	-0.8	-178	-70.7	98.6	0	0	0	115	N575	W158-N575 HydrophobicContact CH2-CB 4.06Å
159	R	31.2	Very low	28.8	Very low	213 Å²	213	148.3 Å²	148.3	80%	0.804	81%	0.81	S	S	*	*	S	Bend	trans	-126.7	116.4	173.3	-64.4	-174.3	-175	-133.8	-1.4	109.9	S157 A161	S157-R159 PolarHBondContact O-N 3.08Å; R159-A161 VanDerWaalsContact C-N 3.25Å; R159-A161 PolarHBondContact O-N 3.22Å
160	G	34.6	Very low	29.2	Very low	95 Å²	95	147.9 Å²	147.9	98%	0.979	81%	0.814	S	S	*	*			trans	-71.3	76.4	173.8	0	0	0	0	0	112.1
161	A	27.8	Very low	29.3	Very low	78 Å²	78	147.9 Å²	147.9	65%	0.645	81%	0.814	S	S	*	*			trans	-149.6	128	168.7	0	0	0	0	0	109.4	R159	R159-A161 VanDerWaalsContact C-N 3.25Å; R159-A161 PolarHBondContact O-N 3.22Å
162	V	29.2	Very low	29.4	Very low	134 Å²	134	144.2 Å²	144.2	81%	0.812	81%	0.805	S	S	*	*			trans	-76.6	131.3	170.8	178.3	0	0	0	0	108
163	I	27.6	Very low	29.8	Very low	155 Å²	155	143.9 Å²	143.9	80%	0.795	80%	0.801	S	S	*	*			trans	-114.6	116.8	166.8	-60.4	178.6	0	0	0	106.5
164	D	26.9	Very low	30	Very low	139 Å²	139	142.4 Å²	142.4	74%	0.743	80%	0.799	S	S	*	*			trans	-65.6	139.3	176.3	-73.9	-48	0	0	0	111.1	V166	D164-V166 PolarHBondContact O-N 2.9Å; D164-V166 VanDerWaalsContact O-N 3.12Å
165	T	26.3	Very low	30.5	Very low	140 Å²	140	134.6 Å²	134.6	86%	0.859	79%	0.793	S	S	*	*			trans	-71.5	105	177.4	43	0	0	0	0	110.9	Q167	T165-Q167 PolarHBondContact O-N 2.88Å
166	V	27.9	Very low	30.6	Very low	141 Å²	141	137.2 Å²	137.2	86%	0.855	80%	0.797	S	S	*	*			trans	-65.9	119.3	170.7	180	0	0	0	0	109.3	D164 A168	D164-V166 PolarHBondContact O-N 2.9Å; D164-V166 VanDerWaalsContact O-N 3.12Å; V166-A168 PolarHBondContact O-N 3.47Å
167	Q	29.3	Very low	31	Very low	183 Å²	183	138.2 Å²	138.2	86%	0.855	80%	0.803	S	S	*	*			trans	-63	120.7	172.5	-70.5	174.3	-66	0	0	110.3	T165	T165-Q167 PolarHBondContact O-N 2.88Å
168	A	27.8	Very low	31.4	Very low	105 Å²	105	143 Å²	143	87%	0.868	81%	0.813	S	S	*	*			trans	-86.8	115.6	165.1	0	0	0	0	0	109.3	V166	V166-A168 PolarHBondContact O-N 3.47Å
169	T	30.9	Very low	31.3	Very low	130 Å²	130	144.2 Å²	144.2	80%	0.798	83%	0.825	S	S	*	*			trans	-80.1	153.3	171.8	46.7	0	0	0	0	111.7
170	D	34.9	Very low	31.9	Very low	170 Å²	170	137.5 Å²	137.5	91%	0.909	81%	0.805	S	S	*	*			trans	-46.7	137.6	175.3	-97.6	-47.4	0	0	0	114.1
171	G	27.3	Very low	32.4	Very low	72 Å²	72	136.7 Å²	136.7	74%	0.742	78%	0.784	S	S	*	*			trans	-159.3	123.8	174.3	0	0	0	0	0	110.4
172	T	28.7	Very low	33.3	Very low	123 Å²	123	137.9 Å²	137.9	76%	0.755	79%	0.785	S	S	*	*			trans	-103.3	133.5	-159.4	-43.7	0	0	0	0	113.7
173	K	35.7	Very low	34.1	Very low	179 Å²	179	133.6 Å²	133.6	78%	0.778	77%	0.769	S	S	*	*			trans	73.2	148.5	150.8	-88.5	177.2	-176.6	-177.1	0	122.3
174	D	32.3	Very low	35.1	Very low	158 Å²	158	130.2 Å²	130.2	85%	0.845	75%	0.752	S	S	*	*			trans	84.8	122.6	164.5	-52.6	-22.3	0	0	0	115.8
175	G	33.3	Very low	36.3	Very low	76 Å²	76	131 Å²	131	78%	0.784	74%	0.744	S	S	*	*			cis	150.7	71.5	4.5	0	0	0	0	0	111.5
176	E	31.5	Very low	38	Very low	190 Å²	190	129.4 Å²	129.4	89%	0.888	73%	0.731	S	S	*	*			trans	-146.3	116.5	172.9	-127.5	177.4	-146.4	0	0	111.5	K178	E176-K178 PolarHBondContact O-N 3.22Å
177	N	36.6	Very low	39.7	Very low	169 Å²	169	127.1 Å²	127.1	90%	0.904	72%	0.717	S	S	*	*			trans	-78.3	112.2	179.3	-77	-26.6	0	0	0	110.4
178	K	38.8	Very low	41.5	Very low	194 Å²	194	122.9 Å²	122.9	84%	0.843	70%	0.7	S	S	*	*			trans	-107.4	113.4	147.4	-81.8	-178.7	177.1	172.3	0	108.4	E176 D180	E176-K178 PolarHBondContact O-N 3.22Å; K178-D180 VanDerWaalsContact C-N 3.29Å; K178-D180 PolarHBondContact O-N 2.86Å
179	E	38.2	Very low	43.7	Very low	185 Å²	185	124.6 Å²	124.6	86%	0.864	69%	0.69	S	S	*	*			trans	-66.6	91.2	169.6	-71	-176.1	138.7	0	0	109.3	S181	E179-S181 VanDerWaalsContact C-N 3.25Å; E179-S181 PolarHBondContact O-N 3.32Å
180	D	44.3	Very low	45.8	Very low	72 Å²	72	119 Å²	119	39%	0.385	66%	0.657	S	S	.	*			trans	-65.2	89.2	167.3	-123.2	-1.4	0	0	0	108.4	K178 N184 R185	K178-D180 VanDerWaalsContact C-N 3.29Å; K178-D180 PolarHBondContact O-N 2.86Å; D180-N184 PolarHBondContact OD1-ND2 3.44Å; D180-R185 IonicContact OD2-CZ 3.51Å; D180-R185 IonicContact OD2-NE 2.73Å; D180-R185 PolarHBondContact OD2-NE 2.86Å; D180-R185 IonicContact OD2-NH2 2.63Å; D180-R185 PolarHBondContact OD2-NH2 2.96Å
181	S	45.6	Very low	47.8	Very low	77 Å²	77	117.2 Å²	117.2	54%	0.538	64%	0.641	S	S	.	*			trans	-54.2	136	174.9	-74.7	0	0	0	0	109.6	E179 G183 N184	E179-S181 VanDerWaalsContact C-N 3.25Å; E179-S181 PolarHBondContact O-N 3.32Å; S181-G183 PolarHBondContact O-N 2.68Å; S181-N184 WeakPolarHBondContact O-CB 3.44Å; S181-N184 PolarHBondContact O-N 2.95Å
182	P	46.8	Very low	50.6	Low	103 Å²	103	117.6 Å²	117.6	67%	0.669	63%	0.628	S	S	*	*	H	α-helix	trans	-58	-24.6	-172.3	17	-29.2	0	0	0	114.3	N186	P182-N186 PolarHBondContact O-N 3.21Å
183	G	46.4	Very low	53.2	Low	45 Å²	45	115 Å²	115	46%	0.464	61%	0.609	S	S	.	*	H	α-helix	trans	-62.4	-36.4	170.9	0	0	0	0	0	114.4	S181 N186 V187	S181-G183 PolarHBondContact O-N 2.68Å; G183-N186 PolarHBondContact O-N 3.01Å; G183-V187 WeakPolarHBondContact O-CG2 3.38Å; G183-V187 PolarHBondContact O-N 3.42Å; G183-V187 VanDerWaalsContact O-N 3.08Å
184	N	47.9	Very low	55.7	Low	84 Å²	84	108 Å²	108	45%	0.449	58%	0.58	S	S	.	*	H	α-helix	trans	-70.5	-36	-175.7	-159.6	36.9	0	0	0	112	D180 S181 N188	D180-N184 PolarHBondContact OD1-ND2 3.44Å; S181-N184 WeakPolarHBondContact O-CB 3.44Å; S181-N184 PolarHBondContact O-N 2.95Å; N184-N188 PolarHBondContact O-N 2.9Å; N184-N188 VanDerWaalsContact O-N 3.15Å; N184-N188 PolarHBondContact O-ND2 2.96Å
185	R	52.3	Low	58.5	Low	154 Å²	154	104.4 Å²	104.4	58%	0.581	56%	0.563	S	S	*	*	H	α-helix	trans	-68.8	-43.4	175.1	-69.1	-174.7	176.6	169.4	3.5	112.1	D180 V187 N188 Q189	D180-R185 IonicContact OD2-CZ 3.51Å; D180-R185 IonicContact OD2-NE 2.73Å; D180-R185 PolarHBondContact OD2-NE 2.86Å; D180-R185 IonicContact OD2-NH2 2.63Å; D180-R185 PolarHBondContact OD2-NH2 2.96Å; R185-V187 PolarHBondContact O-N 3.14Å; R185-N188 PolarHBondContact O-N 3.48Å; R185-Q189 WeakPolarHBondContact O-CB 3.38Å; R185-Q189 PolarHBondContact O-N 2.82Å
186	N	60.8	Low	61.5	Low	107 Å²	107	106.5 Å²	106.5	57%	0.572	55%	0.553	S	S	*	*	H	α-helix	trans	-64.7	-38.9	178.3	-71.6	-7.8	0	0	0	112.4	P182 G183 S190	P182-N186 PolarHBondContact O-N 3.21Å; G183-N186 PolarHBondContact O-N 3.01Å; N186-S190 WeakPolarHBondContact O-CB 3.39Å; N186-S190 PolarHBondContact O-N 2.92Å
187	V	63.6	Low	64.6	Low	93 Å²	93	98.4 Å²	98.4	56%	0.564	51%	0.514	S	S	*	.	H	α-helix	trans	-65.4	-45.3	175.4	171.1	0	0	0	0	111.3	G183 R185 S190 K191	G183-V187 WeakPolarHBondContact O-CG2 3.38Å; G183-V187 PolarHBondContact O-N 3.42Å; G183-V187 VanDerWaalsContact O-N 3.08Å; R185-V187 PolarHBondContact O-N 3.14Å; V187-S190 WeakPolarHBondContact O-CB 3.07Å; V187-S190 PolarHBondContact O-N 3.06Å; V187-K191 PolarHBondContact O-N 3.47Å; V187-K191 VanDerWaalsContact O-N 3.08Å
188	N	68.3	Low	67.6	Low	94 Å²	94	91.4 Å²	91.4	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-43.4	176.3	-77.7	-22.6	0	0	0	112.3	N184 R185 S190 K191 V192	N184-N188 PolarHBondContact O-N 2.9Å; N184-N188 VanDerWaalsContact O-N 3.15Å; N184-N188 PolarHBondContact O-ND2 2.96Å; R185-N188 PolarHBondContact O-N 3.48Å; N188-S190 VanDerWaalsContact C-N 3.34Å; N188-S190 PolarHBondContact O-N 3.25Å; N188-K191 PolarHBondContact O-N 2.71Å; N188-V192 WeakPolarHBondContact O-CG2 3.49Å; N188-V192 PolarHBondContact O-N 3.18Å
189	Q	72.9	Confident	70.4	Confident	141 Å²	141	85.1 Å²	85.1	66%	0.659	45%	0.45	S	S	*	.	H	α-helix	trans	-64.4	-38.1	177.2	-171.2	175	9.1	0	0	112.3	R185 L193	R185-Q189 WeakPolarHBondContact O-CB 3.38Å; R185-Q189 PolarHBondContact O-N 2.82Å; Q189-L193 PolarHBondContact O-N 2.91Å; Q189-L193 VanDerWaalsContact O-N 3.08Å
190	S	75	Confident	73.3	Confident	14 Å²	14	77.3 Å²	77.3	10%	0.098	42%	0.417	C	S	.	.	H	α-helix	trans	-57.7	-51.5	173.6	-172.1	0	0	0	0	112	N186 V187 N188 V192 L193 E194 R561 E621	N186-S190 WeakPolarHBondContact O-CB 3.39Å; N186-S190 PolarHBondContact O-N 2.92Å; V187-S190 WeakPolarHBondContact O-CB 3.07Å; V187-S190 PolarHBondContact O-N 3.06Å; N188-S190 VanDerWaalsContact C-N 3.34Å; N188-S190 PolarHBondContact O-N 3.25Å; S190-V192 VanDerWaalsContact C-N 3.33Å; S190-V192 PolarHBondContact O-N 3.37Å; S190-L193 PolarHBondContact O-N 3.34Å; S190-L193 VanDerWaalsContact O-N 3.17Å; S190-E194 PolarHBondContact O-N 3.36Å; S190-R561 PolarHBondContact OG-NH1 2.99Å; S190-R561 PolarHBondContact OG-NH2 2.88Å; S190-E621 PolarHBondContact OG-OE2 2.7Å; S190-E621 VanDerWaalsContact OG-OE2 3.06Å
191	K	78.5	Confident	75.9	Confident	131 Å²	131	73.9 Å²	73.9	57%	0.57	40%	0.399	S	S	*	.	H	α-helix	trans	-67.9	-32.5	-176	-169	168.3	-173.7	170.3	0	112.8	V187 N188 T195	V187-K191 PolarHBondContact O-N 3.47Å; V187-K191 VanDerWaalsContact O-N 3.08Å; N188-K191 PolarHBondContact O-N 2.71Å; K191-T195 WeakPolarHBondContact O-CB 3.49Å; K191-T195 PolarHBondContact O-N 3.37Å; K191-T195 VanDerWaalsContact O-N 3.08Å; K191-T195 PolarHBondContact O-OG1 2.94Å
192	V	84.1	Confident	78.4	Confident	80 Å²	80	72.7 Å²	72.7	49%	0.485	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-48.6	170.4	170.4	0	0	0	0	110.4	N188 S190 E194 T195 E196	N188-V192 WeakPolarHBondContact O-CG2 3.49Å; N188-V192 PolarHBondContact O-N 3.18Å; S190-V192 VanDerWaalsContact C-N 3.33Å; S190-V192 PolarHBondContact O-N 3.37Å; V192-E194 PolarHBondContact O-N 3.49Å; V192-T195 PolarHBondContact O-N 3.44Å; V192-E196 HydrophobicContact CG1-CG 4.4Å; V192-E196 WeakPolarHBondContact O-CG 3.48Å; V192-E196 PolarHBondContact O-N 3.08Å
193	L	85.4	Confident	80.9	Confident	68 Å²	68	72.5 Å²	72.5	36%	0.356	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-40.5	179.7	-177.1	65	0	0	0	112.9	Q189 S190 E196 R197	Q189-L193 PolarHBondContact O-N 2.91Å; Q189-L193 VanDerWaalsContact O-N 3.08Å; S190-L193 PolarHBondContact O-N 3.34Å; S190-L193 VanDerWaalsContact O-N 3.17Å; L193-E196 PolarHBondContact O-N 3.07Å; L193-R197 HydrophobicContact CD1-CG 4.27Å; L193-R197 WeakPolarHBondContact O-CB 3.19Å; L193-R197 VanDerWaalsContact O-CG 3.29Å; L193-R197 WeakPolarHBondContact O-CG 3.43Å; L193-R197 PolarHBondContact O-N 2.66Å
194	E	88	Confident	83.4	Confident	33 Å²	33	70.4 Å²	70.4	15%	0.154	35%	0.351	C	S	.	.	H	α-helix	trans	-53.4	-55.6	169.7	167.3	-178	-146.9	0	0	110.6	S190 V192 E196 R197 M198 E621	S190-E194 PolarHBondContact O-N 3.36Å; V192-E194 PolarHBondContact O-N 3.49Å; E194-E196 VanDerWaalsContact C-N 3.34Å; E194-E196 PolarHBondContact O-N 2.96Å; E194-R197 PolarHBondContact O-N 2.94Å; E194-M198 HydrophobicContact CG-SD 3.73Å; E194-M198 WeakPolarHBondContact O-CB 3.48Å; E194-M198 WeakPolarHBondContact O-CG 3.38Å; E194-M198 PolarHBondContact O-N 2.77Å; E194-E621 HydrophobicContact CB-CG 4.47Å; E194-E621 HydrophobicContact CG-CG 4.37Å; E194-E621 WeakPolarHBondContact OE1-CB 3.41Å; E194-E621 PolarHBondContact OE1-N 3.35Å
195	T	89.9	Confident	85.8	Confident	82 Å²	82	66.4 Å²	66.4	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-43.7	-177.7	-55	0	0	0	0	111.6	K191 V192 E199	K191-T195 WeakPolarHBondContact O-CB 3.49Å; K191-T195 PolarHBondContact O-N 3.37Å; K191-T195 VanDerWaalsContact O-N 3.08Å; K191-T195 PolarHBondContact O-OG1 2.94Å; V192-T195 PolarHBondContact O-N 3.44Å; T195-E199 WeakPolarHBondContact O-CB 3.34Å; T195-E199 PolarHBondContact O-N 3.08Å
196	E	96.1	Very high	88	Confident	120 Å²	120	62.9 Å²	62.9	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-63.2	-44.6	177.3	-74.2	177.2	178.4	0	0	112.5	V192 L193 E194 A200	V192-E196 HydrophobicContact CG1-CG 4.4Å; V192-E196 WeakPolarHBondContact O-CG 3.48Å; V192-E196 PolarHBondContact O-N 3.08Å; L193-E196 PolarHBondContact O-N 3.07Å; E194-E196 VanDerWaalsContact C-N 3.34Å; E194-E196 PolarHBondContact O-N 2.96Å; E196-A200 WeakPolarHBondContact O-CB 3.41Å; E196-A200 PolarHBondContact O-N 3.44Å
197	R	98.1	Very high	89.8	Confident	21 Å²	21	59.6 Å²	59.6	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-69.4	-41.1	-179.9	-70.7	-174.7	171.7	172.6	-0.8	111.9	L193 E194 A200 V201 D565 W568 F619	L193-R197 HydrophobicContact CD1-CG 4.27Å; L193-R197 WeakPolarHBondContact O-CB 3.19Å; L193-R197 VanDerWaalsContact O-CG 3.29Å; L193-R197 WeakPolarHBondContact O-CG 3.43Å; L193-R197 PolarHBondContact O-N 2.66Å; E194-R197 PolarHBondContact O-N 2.94Å; R197-A200 PolarHBondContact O-N 3.06Å; R197-V201 WeakPolarHBondContact O-CG2 3.47Å; R197-V201 PolarHBondContact O-N 3.2Å; R197-D565 IonicContact CZ-OD1 3.74Å; R197-D565 VanDerWaalsContact CZ-OD1 3.26Å; R197-D565 IonicContact NH1-OD1 2.53Å; R197-D565 PolarHBondContact NH1-OD1 3.2Å; R197-D565 IonicContact NH2-OD1 2.86Å; R197-D565 PolarHBondContact NH2-OD1 2.84Å; R197-W568 HydrophobicContact CB-CE3 4.07Å; R197-W568 HydrophobicContact CB-CZ3 4.03Å; R197-W568 HydrophobicContact CG-CD2 3.91Å; R197-W568 HydrophobicContact CG-CE3 3.59Å; R197-W568 HydrophobicContact CG-CH2 4.27Å; R197-W568 HydrophobicContact CG-CZ3 3.79Å; R197-F619 HydrophobicContact CB-CB 3.95Å; R197-F619 HydrophobicContact CB-CD1 4.13Å; R197-F619 HydrophobicContact CB-CD2 3.68Å; R197-F619 HydrophobicContact CB-CE2 4.23Å; R197-F619 HydrophobicContact CB-CG 3.64Å
198	M	98.2	Very high	91.5	Very high	21 Å²	21	55.1 Å²	55.1	10%	0.103	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-41.5	176	-70.1	178	73.6	0	0	112.2	E194 V201 R202 Y616 F619 L625	E194-M198 HydrophobicContact CG-SD 3.73Å; E194-M198 WeakPolarHBondContact O-CB 3.48Å; E194-M198 WeakPolarHBondContact O-CG 3.38Å; E194-M198 PolarHBondContact O-N 2.77Å; M198-V201 WeakPolarHBondContact O-CB 3.47Å; M198-V201 PolarHBondContact O-N 3.39Å; M198-R202 PolarHBondContact O-N 3.15Å; M198-R202 VanDerWaalsContact O-N 3.08Å; M198-Y616 HydrophobicContact CB-CD2 4.13Å; M198-Y616 HydrophobicContact CB-CE2 4Å; M198-Y616 HydrophobicContact CE-CD1 4.26Å; M198-Y616 HydrophobicContact CE-CD2 4.08Å; M198-Y616 HydrophobicContact CE-CE1 3.75Å; M198-Y616 HydrophobicContact CE-CE2 3.53Å; M198-Y616 HydrophobicContact CE-CG 4.43Å; M198-Y616 HydrophobicContact CG-CD2 4.39Å; M198-Y616 HydrophobicContact CG-CE2 4.44Å; M198-F619 HydrophobicContact CG-CB 3.8Å; M198-L625 HydrophobicContact CE-CD2 4.48Å
199	E	98.3	Very high	93	Very high	63 Å²	63	51 Å²	51	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-68.7	-34.3	176.5	-165	60.4	-146.4	0	0	111.9	T195 V201 R202 E203 R206	T195-E199 WeakPolarHBondContact O-CB 3.34Å; T195-E199 PolarHBondContact O-N 3.08Å; E199-V201 PolarHBondContact O-N 3.44Å; E199-R202 WeakPolarHBondContact O-CB 3.16Å; E199-R202 PolarHBondContact O-N 3.43Å; E199-R202 VanDerWaalsContact O-N 3.16Å; E199-R202 WeakPolarHBondContact OE2-CD 3.41Å; E199-R202 IonicContact OE2-CZ 2.63Å; E199-R202 IonicContact OE2-NE 3.96Å; E199-R202 IonicContact OE2-NH1 3.7Å; E199-R202 PolarHBondContact OE2-NH1 3.28Å; E199-E203 WeakPolarHBondContact O-CG 3.45Å; E199-E203 PolarHBondContact O-N 2.79Å; E199-R206 IonicContact OE1-CZ 2.78Å; E199-R206 IonicContact OE1-NH1 3.7Å; E199-R206 PolarHBondContact OE1-NH1 3.04Å; E199-R206 IonicContact OE1-NH2 2.74Å
200	A	98.6	Very high	94.2	Very high	21 Å²	21	49.5 Å²	49.5	17%	0.174	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-30.6	172	0	0	0	0	0	113	E196 R197 A204 W568	E196-A200 WeakPolarHBondContact O-CB 3.41Å; E196-A200 PolarHBondContact O-N 3.44Å; R197-A200 PolarHBondContact O-N 3.06Å; A200-A204 WeakPolarHBondContact O-CB 3.23Å; A200-A204 PolarHBondContact O-N 2.63Å; A200-W568 HydrophobicContact CB-CH2 3.67Å; A200-W568 HydrophobicContact CB-CZ3 3.73Å
201	V	98.9	Very high	95.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.2	-42.5	171.7	179.1	0	0	0	0	111.4	R197 M198 E199 E203 A204 F205 L249 L571 L612 F615 Y616 F619	R197-V201 WeakPolarHBondContact O-CG2 3.47Å; R197-V201 PolarHBondContact O-N 3.2Å; M198-V201 WeakPolarHBondContact O-CB 3.47Å; M198-V201 PolarHBondContact O-N 3.39Å; E199-V201 PolarHBondContact O-N 3.44Å; V201-E203 VanDerWaalsContact C-N 3.33Å; V201-E203 PolarHBondContact O-N 2.86Å; V201-A204 WeakPolarHBondContact O-CB 3.39Å; V201-A204 PolarHBondContact O-N 3.45Å; V201-F205 WeakPolarHBondContact O-CB 3.39Å; V201-F205 PolarHBondContact O-N 3.46Å; V201-L249 HydrophobicContact CG1-CD2 4.39Å; V201-L571 HydrophobicContact CG2-CD2 3.58Å; V201-L612 HydrophobicContact CG1-CB 4.19Å; V201-L612 HydrophobicContact CG1-CD2 4.37Å; V201-L612 VanDerWaalsContact CG1-O 3.26Å; V201-L612 WeakPolarHBondContact CG1-O 3.36Å; V201-F615 HydrophobicContact CG1-CB 4.21Å; V201-F615 HydrophobicContact CG2-CB 3.69Å; V201-Y616 HydrophobicContact CB-CD2 4.47Å; V201-F619 HydrophobicContact CG2-CD2 3.72Å; V201-F619 HydrophobicContact CG2-CE2 3.67Å
202	R	98.8	Very high	96.3	Very high	51 Å²	51	42.6 Å²	42.6	19%	0.192	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-42.5	173	-72.8	166.8	171.6	161.2	0.5	112	M198 E199 F205 R206 L249 Y616	M198-R202 PolarHBondContact O-N 3.15Å; M198-R202 VanDerWaalsContact O-N 3.08Å; E199-R202 WeakPolarHBondContact O-CB 3.16Å; E199-R202 PolarHBondContact O-N 3.43Å; E199-R202 VanDerWaalsContact O-N 3.16Å; E199-R202 WeakPolarHBondContact OE2-CD 3.41Å; E199-R202 IonicContact OE2-CZ 2.63Å; E199-R202 IonicContact OE2-NE 3.96Å; E199-R202 IonicContact OE2-NH1 3.7Å; E199-R202 PolarHBondContact OE2-NH1 3.28Å; R202-F205 WeakPolarHBondContact O-CB 3.41Å; R202-F205 PolarHBondContact O-N 2.76Å; R202-R206 WeakPolarHBondContact O-CB 3.42Å; R202-R206 WeakPolarHBondContact O-CG 3.27Å; R202-R206 PolarHBondContact O-N 2.76Å; R202-L249 HydrophobicContact CG-CB 4.29Å; R202-L249 HydrophobicContact CG-CD2 4.47Å; R202-L249 HydrophobicContact CG-CG 4.35Å; R202-L249 PolarHBondContact NE-O 2.77Å; R202-L249 PolarHBondContact NH2-O 2.92Å; R202-Y616 HydrophobicContact CG-CE2 4.1Å; R202-Y616 PolarHBondContact NH2-OH 3.31Å
203	E	98.6	Very high	97	Very high	100 Å²	100	42.9 Å²	42.9	47%	0.467	20%	0.202	S	C	.	.	H	α-helix	trans	-68	-34.9	176.4	-73.9	-63.2	103.2	0	0	112.8	E199 V201 R206 H207	E199-E203 WeakPolarHBondContact O-CG 3.45Å; E199-E203 PolarHBondContact O-N 2.79Å; V201-E203 VanDerWaalsContact C-N 3.33Å; V201-E203 PolarHBondContact O-N 2.86Å; E203-R206 WeakPolarHBondContact OE1-CD 3.21Å; E203-R206 IonicContact OE1-CZ 3.32Å; E203-R206 IonicContact OE1-NH1 3.76Å; E203-R206 PolarHBondContact OE1-NH1 3.39Å; E203-H207 VanDerWaalsContact O-CB 3.28Å; E203-H207 WeakPolarHBondContact O-CB 3.39Å; E203-H207 PolarHBondContact O-N 2.99Å
204	A	98.9	Very high	97.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-44.1	169.8	0	0	0	0	0	111.3	A200 V201 H207 A208 L571 Y585 L612	A200-A204 WeakPolarHBondContact O-CB 3.23Å; A200-A204 PolarHBondContact O-N 2.63Å; V201-A204 WeakPolarHBondContact O-CB 3.39Å; V201-A204 PolarHBondContact O-N 3.45Å; A204-H207 PolarHBondContact O-N 2.65Å; A204-A208 WeakPolarHBondContact O-CB 3.15Å; A204-A208 PolarHBondContact O-N 2.6Å; A204-L571 HydrophobicContact CB-CD1 4.49Å; A204-Y585 WeakPolarHBondContact CA-OH 3.28Å; A204-Y585 WeakPolarHBondContact CB-OH 3.49Å; A204-Y585 WeakPolarHBondContact O-CE2 3.36Å; A204-L612 HydrophobicContact CB-CD1 4.4Å; A204-L612 HydrophobicContact CB-CD2 4.05Å
205	F	98.9	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-52.3	176.3	-171.1	-76.8	0	0	0	111.4	V201 R202 H207 A208 W209 A242 T245 M246 L249 L251 L608 L612	V201-F205 WeakPolarHBondContact O-CB 3.39Å; V201-F205 PolarHBondContact O-N 3.46Å; R202-F205 WeakPolarHBondContact O-CB 3.41Å; R202-F205 PolarHBondContact O-N 2.76Å; F205-H207 VanDerWaalsContact C-N 3.3Å; F205-H207 PolarHBondContact O-N 2.83Å; F205-A208 WeakPolarHBondContact O-CB 3.35Å; F205-A208 PolarHBondContact O-N 3.41Å; F205-W209 HydrophobicContact CD1-CB 4.13Å; F205-W209 HydrophobicContact CE1-CB 3.87Å; F205-W209 HydrophobicContact CE1-CD2 4.36Å; F205-W209 HydrophobicContact CE1-CG 4.07Å; F205-W209 VanDerWaalsContact O-CB 3.3Å; F205-W209 WeakPolarHBondContact O-CB 3.3Å; F205-W209 PolarHBondContact O-N 2.94Å; F205-A242 HydrophobicContact CE2-CB 4.36Å; F205-A242 HydrophobicContact CZ-CB 4.06Å; F205-T245 HydrophobicContact CD2-CG2 3.71Å; F205-T245 HydrophobicContact CE2-CG2 3.47Å; F205-T245 VanDerWaalsContact CE2-CG2 3.47Å; F205-T245 HydrophobicContact CZ-CG2 4.48Å; F205-M246 HydrophobicContact CE1-CG 3.51Å; F205-M246 HydrophobicContact CE1-SD 4.21Å; F205-M246 HydrophobicContact CE2-CG 4.44Å; F205-M246 HydrophobicContact CZ-CG 3.37Å; F205-M246 HydrophobicContact CZ-SD 4.25Å; F205-L249 HydrophobicContact CB-CD2 3.75Å; F205-L249 HydrophobicContact CD2-CD2 3.88Å; F205-L249 HydrophobicContact CG-CD2 3.86Å; F205-L251 HydrophobicContact CB-CD1 4.25Å; F205-L251 HydrophobicContact CD1-CD1 3.23Å; F205-L251 HydrophobicContact CE1-CD1 3.75Å; F205-L251 HydrophobicContact CG-CD1 3.85Å; F205-L608 HydrophobicContact CD2-CD2 3.96Å; F205-L608 HydrophobicContact CE2-CB 3.99Å; F205-L608 HydrophobicContact CE2-CD1 4.39Å; F205-L608 HydrophobicContact CE2-CD2 3.98Å; F205-L608 HydrophobicContact CE2-CG 4.34Å; F205-L608 HydrophobicContact CZ-CD1 4.39Å; F205-L612 HydrophobicContact CB-CD1 3.87Å; F205-L612 HydrophobicContact CD2-CB 4.46Å; F205-L612 HydrophobicContact CD2-CD1 4.05Å; F205-L612 HydrophobicContact CG-CD1 4.39Å
206	R	98.9	Very high	98.6	Very high	80 Å²	80	41.7 Å²	41.7	30%	0.302	19%	0.187	S	C	.	.	H	α-helix	trans	-58.1	-39.9	178	-71.4	179.8	-169	122	4.3	112.1	E199 R202 E203 K210 L251 E254	E199-R206 IonicContact OE1-CZ 2.78Å; E199-R206 IonicContact OE1-NH1 3.7Å; E199-R206 PolarHBondContact OE1-NH1 3.04Å; E199-R206 IonicContact OE1-NH2 2.74Å; R202-R206 WeakPolarHBondContact O-CB 3.42Å; R202-R206 WeakPolarHBondContact O-CG 3.27Å; R202-R206 PolarHBondContact O-N 2.76Å; E203-R206 WeakPolarHBondContact OE1-CD 3.21Å; E203-R206 IonicContact OE1-CZ 3.32Å; E203-R206 IonicContact OE1-NH1 3.76Å; E203-R206 PolarHBondContact OE1-NH1 3.39Å; R206-K210 VanDerWaalsContact O-CB 3.22Å; R206-K210 WeakPolarHBondContact O-CB 3.43Å; R206-K210 PolarHBondContact O-N 3.42Å; R206-L251 HydrophobicContact CG-CD2 4.35Å; R206-L251 VanDerWaalsContact NH2-CD2 3.29Å; R206-E254 IonicContact NE-OE1 3.35Å
207	H	98.9	Very high	98.7	Very high	37 Å²	37	39.9 Å²	39.9	17%	0.171	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-40.1	174.9	-179.6	93.4	0	0	0	112.6	E203 A204 F205 G211 K579 V580 G583 G584 Y585	E203-H207 VanDerWaalsContact O-CB 3.28Å; E203-H207 WeakPolarHBondContact O-CB 3.39Å; E203-H207 PolarHBondContact O-N 2.99Å; A204-H207 PolarHBondContact O-N 2.65Å; F205-H207 VanDerWaalsContact C-N 3.3Å; F205-H207 PolarHBondContact O-N 2.83Å; H207-G211 PolarHBondContact O-N 3.08Å; H207-K579 WeakPolarHBondContact CD2-CE 3.37Å; H207-K579 VanDerWaalsContact CE1-CE 3.45Å; H207-K579 WeakPolarHBondContact CE1-CE 3.44Å; H207-K579 VanDerWaalsContact ND1-CE 3.27Å; H207-K579 WeakPolarHBondContact ND1-CE 3.23Å; H207-V580 PolarHBondContact CE1-O 3.09Å; H207-V580 PolarHBondContact NE2-O 2.67Å; H207-G583 WeakPolarHBondContact NE2-CA 3.16Å; H207-G583 WeakPolarHBondContact O-CA 3.48Å; H207-G584 PolarHBondContact NE2-O 2.83Å; H207-G584 PolarHBondContact O-N 3.08Å; H207-Y585 HydrophobicContact CB-CE2 4.39Å; H207-Y585 AromaticContact CD2-CE2 3.62Å
208	A	98.9	Very high	98.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.9	-49.7	177.3	0	0	0	0	0	111.6	A204 F205 K210 G211 Y212 Y585 M603 F607 L608	A204-A208 WeakPolarHBondContact O-CB 3.15Å; A204-A208 PolarHBondContact O-N 2.6Å; F205-A208 WeakPolarHBondContact O-CB 3.35Å; F205-A208 PolarHBondContact O-N 3.41Å; A208-K210 PolarHBondContact O-N 2.97Å; A208-G211 PolarHBondContact O-N 2.85Å; A208-G211 VanDerWaalsContact O-N 3.09Å; A208-Y212 PolarHBondContact O-N 3.01Å; A208-Y212 VanDerWaalsContact O-N 3.09Å; A208-Y585 HydrophobicContact CB-CD2 3.79Å; A208-Y585 HydrophobicContact CB-CE2 4.02Å; A208-M603 HydrophobicContact CB-CE 4.24Å; A208-M603 HydrophobicContact CB-SD 3.95Å; A208-F607 HydrophobicContact CB-CE1 4.4Å; A208-L608 HydrophobicContact CB-CD2 3.64Å
209	W	98.9	Very high	98.7	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-38.8	178	-169.7	-117.6	0	0	0	112.9	F205 G211 Y212 K213 W217 L239 A242 M246 A258 L608	F205-W209 HydrophobicContact CD1-CB 4.13Å; F205-W209 HydrophobicContact CE1-CB 3.87Å; F205-W209 HydrophobicContact CE1-CD2 4.36Å; F205-W209 HydrophobicContact CE1-CG 4.07Å; F205-W209 VanDerWaalsContact O-CB 3.3Å; F205-W209 WeakPolarHBondContact O-CB 3.3Å; F205-W209 PolarHBondContact O-N 2.94Å; W209-G211 VanDerWaalsContact C-N 3.31Å; W209-G211 PolarHBondContact O-N 3.06Å; W209-Y212 HydrophobicContact CD2-CD1 4.42Å; W209-Y212 AromaticContact CE3-CD1 3.75Å; W209-Y212 HydrophobicContact CE3-CD1 3.75Å; W209-Y212 HydrophobicContact CE3-CG 4.3Å; W209-Y212 AromaticContact CH2-CD1 3.82Å; W209-Y212 HydrophobicContact CH2-CD1 3.82Å; W209-Y212 AromaticContact CH2-CE1 3.89Å; W209-Y212 HydrophobicContact CH2-CE1 3.89Å; W209-Y212 HydrophobicContact CZ2-CD1 4.47Å; W209-Y212 AromaticContact CZ3-CD1 3.41Å; W209-Y212 HydrophobicContact CZ3-CD1 3.41Å; W209-Y212 VanDerWaalsContact CZ3-CD1 3.41Å; W209-Y212 AromaticContact CZ3-CE1 3.8Å; W209-Y212 HydrophobicContact CZ3-CE1 3.8Å; W209-Y212 HydrophobicContact CZ3-CG 4.22Å; W209-Y212 PolarHBondContact O-N 2.89Å; W209-Y212 VanDerWaalsContact O-N 3.16Å; W209-K213 WeakPolarHBondContact O-CB 3.34Å; W209-K213 PolarHBondContact O-N 2.99Å; W209-W217 HydrophobicContact CH2-CZ3 4.19Å; W209-W217 HydrophobicContact CZ2-CH2 4.26Å; W209-W217 AromaticContact CZ2-CZ3 3.58Å; W209-W217 HydrophobicContact CZ2-CZ3 3.58Å; W209-L239 HydrophobicContact CH2-CB 4.19Å; W209-L239 HydrophobicContact CH2-CG 4.04Å; W209-A242 HydrophobicContact CZ3-CB 4.09Å; W209-M246 HydrophobicContact CD2-SD 4.33Å; W209-M246 HydrophobicContact CH2-CE 3.91Å; W209-M246 HydrophobicContact CH2-SD 4.2Å; W209-M246 HydrophobicContact CZ2-CE 3.93Å; W209-M246 HydrophobicContact CZ2-SD 3.75Å; W209-A258 HydrophobicContact CH2-CB 4.41Å; W209-A258 HydrophobicContact CZ2-CB 4.15Å; W209-L608 HydrophobicContact CE3-CD1 3.82Å; W209-L608 HydrophobicContact CZ3-CD1 4.3Å
210	K	98.7	Very high	98.7	Very high	111 Å²	111	37.6 Å²	37.6	48%	0.483	17%	0.168	S	C	.	.	H	α-helix	trans	-54.8	-48	171.5	-179.1	-167.1	170.5	-164.1	0	111.3	R206 A208 Y212 K213 E214	R206-K210 VanDerWaalsContact O-CB 3.22Å; R206-K210 WeakPolarHBondContact O-CB 3.43Å; R206-K210 PolarHBondContact O-N 3.42Å; A208-K210 PolarHBondContact O-N 2.97Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; K210-Y212 PolarHBondContact O-N 2.94Å; K210-K213 PolarHBondContact O-N 3.26Å; K210-E214 WeakPolarHBondContact O-CB 3.33Å; K210-E214 PolarHBondContact O-N 2.96Å
211	G	98.8	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-41.9	177.8	0	0	0	0	0	112.1	H207 A208 W209 Y215 L222	H207-G211 PolarHBondContact O-N 3.08Å; A208-G211 PolarHBondContact O-N 2.85Å; A208-G211 VanDerWaalsContact O-N 3.09Å; W209-G211 VanDerWaalsContact C-N 3.31Å; W209-G211 PolarHBondContact O-N 3.06Å; G211-Y215 WeakPolarHBondContact O-CD2 3.37Å; G211-Y215 PolarHBondContact O-N 2.79Å; G211-Y215 VanDerWaalsContact O-N 3.12Å; G211-L222 VanDerWaalsContact O-CD1 3.31Å; G211-L222 WeakPolarHBondContact O-CD1 3.33Å
212	Y	98.9	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-50.5	176.4	179.6	-100.5	0	0	0	111.5	A208 W209 K210 E214 Y215 A216 W217 G218 H219 L222 T238 L239	A208-Y212 PolarHBondContact O-N 3.01Å; A208-Y212 VanDerWaalsContact O-N 3.09Å; W209-Y212 HydrophobicContact CD2-CD1 4.42Å; W209-Y212 AromaticContact CE3-CD1 3.75Å; W209-Y212 HydrophobicContact CE3-CD1 3.75Å; W209-Y212 HydrophobicContact CE3-CG 4.3Å; W209-Y212 AromaticContact CH2-CD1 3.82Å; W209-Y212 HydrophobicContact CH2-CD1 3.82Å; W209-Y212 AromaticContact CH2-CE1 3.89Å; W209-Y212 HydrophobicContact CH2-CE1 3.89Å; W209-Y212 HydrophobicContact CZ2-CD1 4.47Å; W209-Y212 AromaticContact CZ3-CD1 3.41Å; W209-Y212 HydrophobicContact CZ3-CD1 3.41Å; W209-Y212 VanDerWaalsContact CZ3-CD1 3.41Å; W209-Y212 AromaticContact CZ3-CE1 3.8Å; W209-Y212 HydrophobicContact CZ3-CE1 3.8Å; W209-Y212 HydrophobicContact CZ3-CG 4.22Å; W209-Y212 PolarHBondContact O-N 2.89Å; W209-Y212 VanDerWaalsContact O-N 3.16Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; K210-Y212 PolarHBondContact O-N 2.94Å; Y212-E214 VanDerWaalsContact C-N 3.35Å; Y212-E214 PolarHBondContact O-N 2.94Å; Y212-Y215 PolarHBondContact O-N 3.12Å; Y212-A216 HydrophobicContact CD2-CB 3.71Å; Y212-A216 HydrophobicContact CE2-CB 3.91Å; Y212-A216 WeakPolarHBondContact CE2-O 3.27Å; Y212-A216 VanDerWaalsContact CZ-O 3.27Å; Y212-A216 CarbonylContact O-C 3.21Å; Y212-A216 VanDerWaalsContact O-CA 3.29Å; Y212-A216 WeakPolarHBondContact O-CA 3.39Å; Y212-A216 PolarHBondContact O-N 3.42Å; Y212-A216 PolarHBondContact OH-O 3.39Å; Y212-W217 HydrophobicContact CD1-CE3 4.33Å; Y212-W217 HydrophobicContact CE1-CE3 4.11Å; Y212-W217 PolarHBondContact O-N 2.87Å; Y212-G218 PolarHBondContact OH-N 2.77Å; Y212-H219 WeakPolarHBondContact CE2-O 3.26Å; Y212-H219 PolarHBondContact OH-O 2.86Å; Y212-L222 HydrophobicContact CD2-CB 4.31Å; Y212-T238 HydrophobicContact CD2-CG2 3.64Å; Y212-T238 HydrophobicContact CE2-CG2 3.82Å; Y212-T238 HydrophobicContact CG-CG2 4.07Å; Y212-L239 HydrophobicContact CE1-CB 3.94Å
213	K	98.6	Very high	98.7	Very high	86 Å²	86	39 Å²	39	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-63	-35.3	179.1	-172.5	177.4	-179.8	-177.8	0	113.5	W209 K210 W217 E257	W209-K213 WeakPolarHBondContact O-CB 3.34Å; W209-K213 PolarHBondContact O-N 2.99Å; K210-K213 PolarHBondContact O-N 3.26Å; K213-W217 HydrophobicContact CB-CE3 4.09Å; K213-W217 HydrophobicContact CB-CZ3 4.46Å; K213-W217 HydrophobicContact CG-CE3 3.89Å; K213-W217 HydrophobicContact CG-CZ3 4.18Å; K213-E257 WeakPolarHBondContact CE-OE2 3.04Å; K213-E257 IonicContact NZ-OE1 2.77Å; K213-E257 PolarHBondContact NZ-OE1 3.47Å; K213-E257 IonicContact NZ-OE2 3.18Å; K213-E257 PolarHBondContact NZ-OE2 3.42Å
214	E	98.6	Very high	98.7	Very high	108 Å²	108	34.3 Å²	34.3	51%	0.505	15%	0.147	S	C	.	.	H	α-helix	trans	-78.9	-32	-179.3	-157.5	179.8	137.6	0	0	113	K210 Y212	K210-E214 WeakPolarHBondContact O-CB 3.33Å; K210-E214 PolarHBondContact O-N 2.96Å; Y212-E214 VanDerWaalsContact C-N 3.35Å; Y212-E214 PolarHBondContact O-N 2.94Å
215	Y	98.8	Very high	98.7	Very high	49 Å²	49	37.8 Å²	37.8	19%	0.192	17%	0.168	C	C	.	.	H	α-helix	trans	-127.8	-9.1	-167.8	-51.7	-48.8	0	0	0	116.5	G211 Y212 L222 R227	G211-Y215 WeakPolarHBondContact O-CD2 3.37Å; G211-Y215 PolarHBondContact O-N 2.79Å; G211-Y215 VanDerWaalsContact O-N 3.12Å; Y212-Y215 PolarHBondContact O-N 3.12Å; Y215-L222 HydrophobicContact CD2-CD1 4.41Å; Y215-R227 HydrophobicContact CD1-CB 3.82Å; Y215-R227 HydrophobicContact CD2-CB 3.85Å; Y215-R227 HydrophobicContact CD2-CG 4.06Å; Y215-R227 HydrophobicContact CE1-CB 4.01Å; Y215-R227 HydrophobicContact CE1-CG 4.38Å; Y215-R227 HydrophobicContact CE2-CB 4Å; Y215-R227 HydrophobicContact CE2-CG 3.79Å; Y215-R227 HydrophobicContact CG-CB 3.75Å; Y215-R227 HydrophobicContact CG-CG 4.45Å
216	A	98.7	Very high	98.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.187	C	C	.	.			trans	-146.4	17	-171.8	0	0	0	0	0	114.2	Y212 G218 H219 L222	Y212-A216 HydrophobicContact CD2-CB 3.71Å; Y212-A216 HydrophobicContact CE2-CB 3.91Å; Y212-A216 WeakPolarHBondContact CE2-O 3.27Å; Y212-A216 VanDerWaalsContact CZ-O 3.27Å; Y212-A216 CarbonylContact O-C 3.21Å; Y212-A216 VanDerWaalsContact O-CA 3.29Å; Y212-A216 WeakPolarHBondContact O-CA 3.39Å; Y212-A216 PolarHBondContact O-N 3.42Å; Y212-A216 PolarHBondContact OH-O 3.39Å; A216-G218 PolarHBondContact O-N 3.19Å; A216-H219 WeakPolarHBondContact O-CB 3.4Å; A216-H219 PolarHBondContact O-N 3Å; A216-L222 HydrophobicContact CB-CB 4.09Å; A216-L222 HydrophobicContact CB-CD1 3.91Å
217	W	98.7	Very high	98.6	Very high	82 Å²	82	44 Å²	44	31%	0.311	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	119.4	-175.6	-176.1	-106.7	0	0	0	113	W209 Y212 K213 H219 L239 E257 W261	W209-W217 HydrophobicContact CH2-CZ3 4.19Å; W209-W217 HydrophobicContact CZ2-CH2 4.26Å; W209-W217 AromaticContact CZ2-CZ3 3.58Å; W209-W217 HydrophobicContact CZ2-CZ3 3.58Å; Y212-W217 HydrophobicContact CD1-CE3 4.33Å; Y212-W217 HydrophobicContact CE1-CE3 4.11Å; Y212-W217 PolarHBondContact O-N 2.87Å; K213-W217 HydrophobicContact CB-CE3 4.09Å; K213-W217 HydrophobicContact CB-CZ3 4.46Å; K213-W217 HydrophobicContact CG-CE3 3.89Å; K213-W217 HydrophobicContact CG-CZ3 4.18Å; W217-H219 PolarHBondContact O-N 3.48Å; W217-L239 HydrophobicContact CE3-CD1 4.49Å; W217-L239 HydrophobicContact CH2-CD1 4.08Å; W217-L239 HydrophobicContact CZ2-CD1 4.29Å; W217-L239 HydrophobicContact CZ3-CD1 4.19Å; W217-E257 HydrophobicContact CH2-CB 4.12Å; W217-W261 HydrophobicContact CZ2-CB 3.99Å; W217-W261 HydrophobicContact CZ2-CG 4.46Å; W217-W261 AromaticContact NE1-CD1 3.59Å
218	G	97.8	Very high	98.6	Very high	11 Å²	11	44.4 Å²	44.4	11%	0.113	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	2.7	-178.4	0	0	0	0	0	115.4	Y212 A216 G236 W261	Y212-G218 PolarHBondContact OH-N 2.77Å; A216-G218 PolarHBondContact O-N 3.19Å; G218-G236 WeakPolarHBondContact O-CA 3.34Å; G218-W261 VanDerWaalsContact CA-CE2 3.49Å; G218-W261 VanDerWaalsContact CA-CZ2 3.46Å; G218-W261 WeakPolarHBondContact O-CZ2 3.43Å
219	H	98.6	Very high	98.6	Very high	47 Å²	47	49.1 Å²	49.1	22%	0.218	23%	0.226	C	C	.	.	S	Bend	trans	-95.3	163.2	170.5	-60.7	-65.7	0	0	0	110.6	Y212 A216 W217 Y229 E231	Y212-H219 WeakPolarHBondContact CE2-O 3.26Å; Y212-H219 PolarHBondContact OH-O 2.86Å; A216-H219 WeakPolarHBondContact O-CB 3.4Å; A216-H219 PolarHBondContact O-N 3Å; W217-H219 PolarHBondContact O-N 3.48Å; H219-Y229 HydrophobicContact CB-CD2 3.62Å; H219-Y229 HydrophobicContact CB-CE2 4.31Å; H219-Y229 HydrophobicContact CB-CG 3.73Å; H219-Y229 AromaticContact CD2-CD1 3.52Å; H219-Y229 AromaticContact CD2-CD2 3.81Å; H219-Y229 AromaticContact CD2-CE1 3.62Å; H219-Y229 AromaticContact CD2-CE2 3.89Å; H219-Y229 AromaticContact CD2-CG 3.62Å; H219-Y229 AromaticContact CD2-CZ 3.79Å; H219-Y229 AromaticContact CE1-CE1 3.98Å; H219-Y229 AromaticContact CE1-CE2 3.47Å; H219-Y229 VanDerWaalsContact CE1-CE2 3.47Å; H219-Y229 WeakPolarHBondContact CE1-CE2 3.48Å; H219-Y229 AromaticContact CE1-CZ 3.41Å; H219-Y229 VanDerWaalsContact CE1-CZ 3.41Å; H219-Y229 AromaticContact CG-CD1 3.95Å; H219-Y229 AromaticContact CG-CD2 3.36Å; H219-Y229 AromaticContact CG-CE2 3.58Å; H219-Y229 AromaticContact CG-CG 3.55Å; H219-Y229 AromaticContact CG-CZ 3.98Å; H219-Y229 AromaticContact ND1-CD2 3.56Å; H219-Y229 AromaticContact ND1-CE2 3.31Å; H219-Y229 VanDerWaalsContact ND1-CE2 3.31Å; H219-Y229 WeakPolarHBondContact ND1-CE2 3.38Å; H219-Y229 AromaticContact ND1-CZ 3.76Å; H219-Y229 AromaticContact NE2-CD1 3.92Å; H219-Y229 AromaticContact NE2-CE1 3.48Å; H219-Y229 WeakPolarHBondContact NE2-CE1 3.35Å; H219-Y229 AromaticContact NE2-CE2 3.81Å; H219-Y229 AromaticContact NE2-CZ 3.4Å; H219-E231 IonicContact CE1-OE1 2.75Å; H219-E231 IonicContact CG-OE1 3.69Å; H219-E231 IonicContact ND1-OE1 3.75Å; H219-E231 PolarHBondContact ND1-OE1 3.16Å
220	D	98.4	Very high	98.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-64.7	-45.8	-173.8	-66.7	-25.1	0	0	0	113.4	E231 W232 F233 G234 L235 G236 L237 T238	D220-E231 PolarHBondContact N-OE2 3.09Å; D220-W232 VanDerWaalsContact OD2-CD1 3.26Å; D220-W232 PolarHBondContact OD2-N 3.24Å; D220-F233 WeakPolarHBondContact OD2-CA 3.43Å; D220-F233 PolarHBondContact OD2-N 3Å; D220-G234 PolarHBondContact OD1-N 3.39Å; D220-G234 PolarHBondContact OD2-N 3.09Å; D220-L235 PolarHBondContact OD1-N 2.85Å; D220-G236 PolarHBondContact OD1-N 3.45Å; D220-G236 VanDerWaalsContact OD1-N 3.1Å; D220-L237 HydrophobicContact CB-CB 3.77Å; D220-L237 PolarHBondContact OD1-N 3.32Å; D220-T238 WeakPolarHBondContact O-CB 3.16Å; D220-T238 PolarHBondContact O-N 3.43Å; D220-T238 PolarHBondContact O-OG1 2.85Å
221	E	98.6	Very high	98.5	Very high	7 Å²	7	49 Å²	49	3%	0.033	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141	-166.8	-61.7	164.1	150.5	0	0	111.8	Y229 S230 W232 K602	E221-Y229 CarbonylContact O-C 3.58Å; E221-Y229 WeakPolarHBondContact O-CA 3.47Å; E221-Y229 VanDerWaalsContact O-CB 3.26Å; E221-Y229 WeakPolarHBondContact O-CB 3.31Å; E221-S230 WeakPolarHBondContact CB-OG 3.22Å; E221-S230 PolarHBondContact N-O 2.66Å; E221-S230 PolarHBondContact O-N 3.43Å; E221-S230 WeakPolarHBondContact OE2-CB 3.28Å; E221-S230 PolarHBondContact OE2-OG 3.03Å; E221-W232 PolarHBondContact OE1-NE1 2.8Å; E221-W232 VanDerWaalsContact OE1-NE1 3.1Å; E221-K602 VanDerWaalsContact CD-NZ 3.27Å; E221-K602 WeakPolarHBondContact OE1-CE 3.41Å; E221-K602 IonicContact OE1-NZ 2.8Å; E221-K602 PolarHBondContact OE1-NZ 2.74Å; E221-K602 WeakPolarHBondContact OE2-CE 3.27Å; E221-K602 IonicContact OE2-NZ 3.73Å; E221-K602 PolarHBondContact OE2-NZ 3.27Å
222	L	98.9	Very high	98.1	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.2	175.3	174.1	66.5	0	0	0	111.3	G211 Y212 Y215 A216 P224 K602 M603	G211-L222 VanDerWaalsContact O-CD1 3.31Å; G211-L222 WeakPolarHBondContact O-CD1 3.33Å; Y212-L222 HydrophobicContact CD2-CB 4.31Å; Y215-L222 HydrophobicContact CD2-CD1 4.41Å; A216-L222 HydrophobicContact CB-CB 4.09Å; A216-L222 HydrophobicContact CB-CD1 3.91Å; L222-P224 HydrophobicContact CD2-CB 3.91Å; L222-P224 HydrophobicContact CG-CB 4.03Å; L222-P224 WeakPolarHBondContact O-CD 3.42Å; L222-K602 CarbonylContact O-C 3.59Å; L222-M603 HydrophobicContact CB-CB 4.09Å; L222-M603 HydrophobicContact CB-CE 4.15Å; L222-M603 HydrophobicContact CD2-CB 4.49Å; L222-M603 HydrophobicContact CD2-CE 3.82Å; L222-M603 HydrophobicContact CD2-SD 4.05Å; L222-M603 PolarHBondContact O-N 2.86Å
223	R	98.8	Very high	97.5	Very high	95 Å²	95	54.3 Å²	54.3	36%	0.358	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	88	165.5	-61.4	-170.7	59.6	-164.9	-10.7	109.1	V225 S226 R227 S228 Y229 D601	R223-V225 PolarHBondContact O-N 2.69Å; R223-S226 WeakPolarHBondContact CB-OG 3.31Å; R223-R227 WeakPolarHBondContact O-CA 3.43Å; R223-R227 PolarHBondContact O-N 3.18Å; R223-S228 WeakPolarHBondContact CA-O 3.29Å; R223-S228 WeakPolarHBondContact CB-O 3.48Å; R223-S228 PolarHBondContact N-O 3.38Å; R223-S228 PolarHBondContact O-N 3.18Å; R223-Y229 WeakPolarHBondContact CD-O 3.27Å; R223-D601 WeakPolarHBondContact CB-O 3.48Å; R223-D601 WeakPolarHBondContact CG-O 3.5Å; R223-D601 IonicContact CZ-OD2 3.96Å; R223-D601 PolarHBondContact NE-O 3.01Å; R223-D601 IonicContact NE-OD2 1.98Å; R223-D601 PolarHBondContact NE-OD2 2.95Å; R223-D601 IonicContact NH2-OD2 2.72Å; R223-D601 PolarHBondContact NH2-OD2 3.23Å
224	P	98.6	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-24.5	-160.3	30.4	-38.4	0	0	0	114.1	L222 V580	L222-P224 HydrophobicContact CD2-CB 3.91Å; L222-P224 HydrophobicContact CG-CB 4.03Å; L222-P224 WeakPolarHBondContact O-CD 3.42Å; P224-V580 HydrophobicContact CB-CB 4.13Å; P224-V580 HydrophobicContact CB-CG1 4.41Å; P224-V580 HydrophobicContact CB-CG2 3.97Å; P224-V580 HydrophobicContact CG-CG2 3.95Å
225	V	98.4	Very high	97.1	Very high	74 Å²	74	45.8 Å²	45.8	45%	0.448	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-41.2	-179.8	-174.2	0	0	0	0	110.1	R223 V580 T586 P599 D601	R223-V225 PolarHBondContact O-N 2.69Å; V225-V580 HydrophobicContact CG2-CG2 4.07Å; V225-T586 HydrophobicContact CG2-CG2 4.24Å; V225-P599 HydrophobicContact CG2-CB 4.02Å; V225-D601 WeakPolarHBondContact CA-OD1 3.5Å; V225-D601 HydrophobicContact CB-CB 4.02Å; V225-D601 VanDerWaalsContact CB-OD1 3.29Å; V225-D601 WeakPolarHBondContact CB-OD1 3.27Å; V225-D601 HydrophobicContact CG2-CB 4.24Å; V225-D601 PolarHBondContact N-OD1 3.39Å
226	S	98.5	Very high	97	Very high	58 Å²	58	43.4 Å²	43.4	41%	0.406	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11	174.6	59.9	0	0	0	0	114.1	R223 D601	R223-S226 WeakPolarHBondContact CB-OG 3.31Å; S226-D601 WeakPolarHBondContact CB-OD2 3.36Å; S226-D601 PolarHBondContact N-OD1 2.94Å; S226-D601 PolarHBondContact OG-OD1 3.47Å; S226-D601 PolarHBondContact OG-OD2 2.8Å
227	R	98.7	Very high	97	Very high	152 Å²	152	43.4 Å²	43.4	57%	0.574	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	53.8	-176.6	-53.3	179.6	-150.3	163.8	7.7	111.1	Y215 R223	Y215-R227 HydrophobicContact CD1-CB 3.82Å; Y215-R227 HydrophobicContact CD2-CB 3.85Å; Y215-R227 HydrophobicContact CD2-CG 4.06Å; Y215-R227 HydrophobicContact CE1-CB 4.01Å; Y215-R227 HydrophobicContact CE1-CG 4.38Å; Y215-R227 HydrophobicContact CE2-CB 4Å; Y215-R227 HydrophobicContact CE2-CG 3.79Å; Y215-R227 HydrophobicContact CG-CB 3.75Å; Y215-R227 HydrophobicContact CG-CG 4.45Å; R223-R227 WeakPolarHBondContact O-CA 3.43Å; R223-R227 PolarHBondContact O-N 3.18Å
228	S	98.6	Very high	97	Very high	46 Å²	46	39.5 Å²	39.5	32%	0.322	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	-162.7	-176	-165.9	0	0	0	0	109.2	R223	R223-S228 WeakPolarHBondContact CA-O 3.29Å; R223-S228 WeakPolarHBondContact CB-O 3.48Å; R223-S228 PolarHBondContact N-O 3.38Å; R223-S228 PolarHBondContact O-N 3.18Å
229	Y	98.6	Very high	97	Very high	99 Å²	99	39 Å²	39	39%	0.388	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	166	-177.4	57	-90.7	0	0	0	112.1	H219 E221 R223 E231	H219-Y229 HydrophobicContact CB-CD2 3.62Å; H219-Y229 HydrophobicContact CB-CE2 4.31Å; H219-Y229 HydrophobicContact CB-CG 3.73Å; H219-Y229 AromaticContact CD2-CD1 3.52Å; H219-Y229 AromaticContact CD2-CD2 3.81Å; H219-Y229 AromaticContact CD2-CE1 3.62Å; H219-Y229 AromaticContact CD2-CE2 3.89Å; H219-Y229 AromaticContact CD2-CG 3.62Å; H219-Y229 AromaticContact CD2-CZ 3.79Å; H219-Y229 AromaticContact CE1-CE1 3.98Å; H219-Y229 AromaticContact CE1-CE2 3.47Å; H219-Y229 VanDerWaalsContact CE1-CE2 3.47Å; H219-Y229 WeakPolarHBondContact CE1-CE2 3.48Å; H219-Y229 AromaticContact CE1-CZ 3.41Å; H219-Y229 VanDerWaalsContact CE1-CZ 3.41Å; H219-Y229 AromaticContact CG-CD1 3.95Å; H219-Y229 AromaticContact CG-CD2 3.36Å; H219-Y229 AromaticContact CG-CE2 3.58Å; H219-Y229 AromaticContact CG-CG 3.55Å; H219-Y229 AromaticContact CG-CZ 3.98Å; H219-Y229 AromaticContact ND1-CD2 3.56Å; H219-Y229 AromaticContact ND1-CE2 3.31Å; H219-Y229 VanDerWaalsContact ND1-CE2 3.31Å; H219-Y229 WeakPolarHBondContact ND1-CE2 3.38Å; H219-Y229 AromaticContact ND1-CZ 3.76Å; H219-Y229 AromaticContact NE2-CD1 3.92Å; H219-Y229 AromaticContact NE2-CE1 3.48Å; H219-Y229 WeakPolarHBondContact NE2-CE1 3.35Å; H219-Y229 AromaticContact NE2-CE2 3.81Å; H219-Y229 AromaticContact NE2-CZ 3.4Å; E221-Y229 CarbonylContact O-C 3.58Å; E221-Y229 WeakPolarHBondContact O-CA 3.47Å; E221-Y229 VanDerWaalsContact O-CB 3.26Å; E221-Y229 WeakPolarHBondContact O-CB 3.31Å; R223-Y229 WeakPolarHBondContact CD-O 3.27Å; Y229-E231 HydrophobicContact CD2-CG 3.96Å; Y229-E231 HydrophobicContact CE2-CG 3.99Å
230	S	97.8	Very high	97	Very high	30 Å²	30	36.8 Å²	36.8	21%	0.21	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	157.6	163.9	34.6	0	0	0	0	110.7	E221	E221-S230 WeakPolarHBondContact CB-OG 3.22Å; E221-S230 PolarHBondContact N-O 2.66Å; E221-S230 PolarHBondContact O-N 3.43Å; E221-S230 WeakPolarHBondContact OE2-CB 3.28Å; E221-S230 PolarHBondContact OE2-OG 3.03Å
231	E	96.9	Very high	97.1	Very high	86 Å²	86	36.8 Å²	36.8	40%	0.402	18%	0.176	S	C	.	.			trans	-133.9	138.5	179.7	-61	-80.9	-133	0	0	108.4	H219 D220 Y229	H219-E231 IonicContact CE1-OE1 2.75Å; H219-E231 IonicContact CG-OE1 3.69Å; H219-E231 IonicContact ND1-OE1 3.75Å; H219-E231 PolarHBondContact ND1-OE1 3.16Å; D220-E231 PolarHBondContact N-OE2 3.09Å; Y229-E231 HydrophobicContact CD2-CG 3.96Å; Y229-E231 HydrophobicContact CE2-CG 3.99Å
232	W	89.8	Confident	97.1	Very high	105 Å²	105	36.4 Å²	36.4	40%	0.398	17%	0.174	S	C	.	.	S	Bend	trans	-139.9	-44.3	172.1	55.8	-47.4	0	0	0	111.3	D220 E221 L237 E278	D220-W232 VanDerWaalsContact OD2-CD1 3.26Å; D220-W232 PolarHBondContact OD2-N 3.24Å; E221-W232 PolarHBondContact OE1-NE1 2.8Å; E221-W232 VanDerWaalsContact OE1-NE1 3.1Å; W232-L237 HydrophobicContact CZ2-CD2 3.63Å; W232-E278 HydrophobicContact CH2-CB 4.42Å; W232-E278 HydrophobicContact CH2-CG 4.25Å; W232-E278 HydrophobicContact CZ3-CG 4.3Å
233	F	88.1	Confident	97.1	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.026	17%	0.174	C	C	.	.	S	Bend	trans	-84.9	-39.6	164.7	-59.7	-75	0	0	0	112	D220 L235 L237 V274 E278 S279	D220-F233 WeakPolarHBondContact OD2-CA 3.43Å; D220-F233 PolarHBondContact OD2-N 3Å; F233-L235 HydrophobicContact CB-CB 4.02Å; F233-L235 HydrophobicContact CB-CD1 4.04Å; F233-L235 HydrophobicContact CB-CG 3.95Å; F233-L237 HydrophobicContact CD2-CB 4.46Å; F233-L237 HydrophobicContact CD2-CD1 4Å; F233-L237 HydrophobicContact CD2-CD2 3.98Å; F233-L237 HydrophobicContact CD2-CG 4.39Å; F233-L237 HydrophobicContact CE2-CD1 3.99Å; F233-L237 HydrophobicContact CE2-CD2 3.88Å; F233-V274 HydrophobicContact CD1-CB 3.73Å; F233-V274 HydrophobicContact CD1-CG1 3.76Å; F233-V274 HydrophobicContact CE1-CB 3.83Å; F233-V274 HydrophobicContact CE1-CG1 4.39Å; F233-E278 HydrophobicContact CZ-CB 3.69Å; F233-S279 WeakPolarHBondContact CE1-OG 3.45Å
234	G	93.1	Very high	97.1	Very high	11 Å²	11	31.9 Å²	31.9	11%	0.113	16%	0.157	C	C	.	.			trans	63.9	40.9	-166.1	0	0	0	0	0	111.7	D220 K270	D220-G234 PolarHBondContact OD1-N 3.39Å; D220-G234 PolarHBondContact OD2-N 3.09Å; G234-K270 WeakPolarHBondContact O-CD 3.26Å; G234-K270 PolarHBondContact O-NZ 3.45Å
235	L	95.1	Very high	97.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.157	C	C	.	.	S	Bend	trans	-122	8.7	-175.2	-66.2	177.1	0	0	0	113.3	D220 F233 I240 W261 L266 F268 K270 I283 I327	D220-L235 PolarHBondContact OD1-N 2.85Å; F233-L235 HydrophobicContact CB-CB 4.02Å; F233-L235 HydrophobicContact CB-CD1 4.04Å; F233-L235 HydrophobicContact CB-CG 3.95Å; L235-I240 WeakPolarHBondContact O-CD1 3.35Å; L235-W261 WeakPolarHBondContact O-CH2 3.04Å; L235-L266 WeakPolarHBondContact O-CD1 3.14Å; L235-F268 HydrophobicContact CD1-CD1 4Å; L235-F268 HydrophobicContact CD1-CE1 4.16Å; L235-F268 HydrophobicContact CD2-CD1 3.92Å; L235-F268 HydrophobicContact CD2-CE1 4.33Å; L235-K270 HydrophobicContact CD2-CD 4.49Å; L235-I283 HydrophobicContact CB-CD1 4.14Å; L235-I283 HydrophobicContact CD1-CD1 3.66Å; L235-I327 HydrophobicContact CD1-CD1 3.83Å; L235-I327 HydrophobicContact CD2-CD1 4.24Å
236	G	96.8	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.			trans	73.3	37.8	-179.1	0	0	0	0	0	111.7	G218 D220 T238 L239 I240	G218-G236 WeakPolarHBondContact O-CA 3.34Å; D220-G236 PolarHBondContact OD1-N 3.45Å; D220-G236 VanDerWaalsContact OD1-N 3.1Å; G236-T238 PolarHBondContact O-N 3.06Å; G236-L239 WeakPolarHBondContact O-CA 3.43Å; G236-L239 VanDerWaalsContact O-CB 3.32Å; G236-L239 WeakPolarHBondContact O-CB 3.44Å; G236-L239 PolarHBondContact O-N 3.37Å; G236-I240 PolarHBondContact O-N 2.99Å
237	L	98.2	Very high	97.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-42.8	-60.7	-172.3	-172.1	69.4	0	0	0	113.7	D220 W232 F233 L239 I240 D241 R282 I283	D220-L237 HydrophobicContact CB-CB 3.77Å; D220-L237 PolarHBondContact OD1-N 3.32Å; W232-L237 HydrophobicContact CZ2-CD2 3.63Å; F233-L237 HydrophobicContact CD2-CB 4.46Å; F233-L237 HydrophobicContact CD2-CD1 4Å; F233-L237 HydrophobicContact CD2-CD2 3.98Å; F233-L237 HydrophobicContact CD2-CG 4.39Å; F233-L237 HydrophobicContact CE2-CD1 3.99Å; F233-L237 HydrophobicContact CE2-CD2 3.88Å; L237-L239 PolarHBondContact O-N 2.94Å; L237-L239 VanDerWaalsContact O-N 3.12Å; L237-I240 PolarHBondContact O-N 3.25Å; L237-D241 WeakPolarHBondContact O-CB 3.46Å; L237-D241 PolarHBondContact O-N 3.3Å; L237-R282 HydrophobicContact CD1-CB 3.75Å; L237-R282 HydrophobicContact CD1-CG 4.31Å; L237-I283 HydrophobicContact CD1-CD1 4.17Å; L237-I283 HydrophobicContact CD1-CG1 3.8Å
238	T	98.8	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.2	-27.7	-179.3	-64.8	0	0	0	0	113.6	Y212 D220 G236 A242 L608	Y212-T238 HydrophobicContact CD2-CG2 3.64Å; Y212-T238 HydrophobicContact CE2-CG2 3.82Å; Y212-T238 HydrophobicContact CG-CG2 4.07Å; D220-T238 WeakPolarHBondContact O-CB 3.16Å; D220-T238 PolarHBondContact O-N 3.43Å; D220-T238 PolarHBondContact O-OG1 2.85Å; G236-T238 PolarHBondContact O-N 3.06Å; T238-A242 WeakPolarHBondContact O-CB 3.36Å; T238-A242 PolarHBondContact O-N 2.77Å; T238-L608 HydrophobicContact CG2-CD1 3.82Å
239	L	98.8	Very high	97.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-71.3	-48.4	174.3	-178.8	155.5	0	0	0	110.8	W209 Y212 W217 G236 L237 A242 L243 A258 W261 V262	W209-L239 HydrophobicContact CH2-CB 4.19Å; W209-L239 HydrophobicContact CH2-CG 4.04Å; Y212-L239 HydrophobicContact CE1-CB 3.94Å; W217-L239 HydrophobicContact CE3-CD1 4.49Å; W217-L239 HydrophobicContact CH2-CD1 4.08Å; W217-L239 HydrophobicContact CZ2-CD1 4.29Å; W217-L239 HydrophobicContact CZ3-CD1 4.19Å; G236-L239 WeakPolarHBondContact O-CA 3.43Å; G236-L239 VanDerWaalsContact O-CB 3.32Å; G236-L239 WeakPolarHBondContact O-CB 3.44Å; G236-L239 PolarHBondContact O-N 3.37Å; L237-L239 PolarHBondContact O-N 2.94Å; L237-L239 VanDerWaalsContact O-N 3.12Å; L239-A242 PolarHBondContact O-N 3.12Å; L239-L243 HydrophobicContact CD2-CD2 4.4Å; L239-L243 WeakPolarHBondContact O-CG 3.32Å; L239-L243 PolarHBondContact O-N 3.22Å; L239-A258 HydrophobicContact CD1-CB 4.25Å; L239-A258 HydrophobicContact CD2-CB 4.01Å; L239-A258 HydrophobicContact CG-CB 3.92Å; L239-W261 HydrophobicContact CD1-CB 3.97Å; L239-W261 HydrophobicContact CD1-CD2 3.69Å; L239-W261 HydrophobicContact CD1-CE3 3.67Å; L239-W261 HydrophobicContact CD1-CG 3.82Å; L239-W261 HydrophobicContact CD1-CZ3 4.44Å; L239-W261 HydrophobicContact CD2-CD2 4.45Å; L239-W261 HydrophobicContact CD2-CE3 3.6Å; L239-W261 HydrophobicContact CD2-CZ3 4.07Å; L239-W261 HydrophobicContact CG-CE3 4.21Å; L239-V262 HydrophobicContact CD2-CG2 3.74Å
240	I	98.8	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-46.2	-179.2	-60.9	173.7	0	0	0	110.7	L235 G236 L237 A242 L243 L266 I283 L287	L235-I240 WeakPolarHBondContact O-CD1 3.35Å; G236-I240 PolarHBondContact O-N 2.99Å; L237-I240 PolarHBondContact O-N 3.25Å; I240-A242 PolarHBondContact O-N 3.27Å; I240-L243 HydrophobicContact CG2-CD1 4.36Å; I240-L243 WeakPolarHBondContact O-CB 3.44Å; I240-L243 PolarHBondContact O-N 3.41Å; I240-L266 HydrophobicContact CD1-CD1 3.94Å; I240-L266 HydrophobicContact CD1-CD2 3.75Å; I240-L266 HydrophobicContact CG1-CD2 4.42Å; I240-I283 HydrophobicContact CD1-CG2 4.06Å; I240-I283 HydrophobicContact CG2-CG2 4.44Å; I240-L287 HydrophobicContact CG2-CD2 4.26Å; I240-L287 HydrophobicContact CG2-CG 4.03Å
241	D	98.7	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.9	-28.3	178.5	-137.7	49	0	0	0	112.3	L237 R282 S605 F606 G609 H638	L237-D241 WeakPolarHBondContact O-CB 3.46Å; L237-D241 PolarHBondContact O-N 3.3Å; D241-R282 WeakPolarHBondContact OD1-CB 3.42Å; D241-S605 VanDerWaalsContact CG-OG 3.31Å; D241-S605 WeakPolarHBondContact OD2-CB 3.4Å; D241-S605 PolarHBondContact OD2-OG 2.84Å; D241-F606 PolarHBondContact OD2-N 2.96Å; D241-G609 WeakPolarHBondContact O-CA 3.3Å; D241-H638 PolarHBondContact O-CE1 3.21Å; D241-H638 IonicContact OD1-NE2 2.67Å; D241-H638 PolarHBondContact OD1-NE2 3.1Å
242	A	98.9	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.6	-176.5	0	0	0	0	0	114.6	F205 W209 T238 L239 I240 D244 T245 M246 L608	F205-A242 HydrophobicContact CE2-CB 4.36Å; F205-A242 HydrophobicContact CZ-CB 4.06Å; W209-A242 HydrophobicContact CZ3-CB 4.09Å; T238-A242 WeakPolarHBondContact O-CB 3.36Å; T238-A242 PolarHBondContact O-N 2.77Å; L239-A242 PolarHBondContact O-N 3.12Å; I240-A242 PolarHBondContact O-N 3.27Å; A242-D244 PolarHBondContact O-N 3.06Å; A242-T245 PolarHBondContact O-N 3Å; A242-M246 HydrophobicContact CB-CE 4.3Å; A242-M246 WeakPolarHBondContact O-CG 3.26Å; A242-M246 PolarHBondContact O-N 3.36Å; A242-L608 HydrophobicContact CB-CB 3.89Å; A242-L608 HydrophobicContact CB-CD1 4.16Å
243	L	98.9	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-51.6	-173.7	-76.5	167.6	0	0	0	112.6	L239 I240 M246 W247 F255 A258 V262 L287 T290 F299	L239-L243 HydrophobicContact CD2-CD2 4.4Å; L239-L243 WeakPolarHBondContact O-CG 3.32Å; L239-L243 PolarHBondContact O-N 3.22Å; I240-L243 HydrophobicContact CG2-CD1 4.36Å; I240-L243 WeakPolarHBondContact O-CB 3.44Å; I240-L243 PolarHBondContact O-N 3.41Å; L243-M246 HydrophobicContact CD2-CE 4.26Å; L243-M246 PolarHBondContact O-N 2.89Å; L243-W247 PolarHBondContact O-N 2.73Å; L243-W247 VanDerWaalsContact O-N 3.12Å; L243-F255 HydrophobicContact CB-CE2 4.3Å; L243-F255 HydrophobicContact CD2-CD2 4.34Å; L243-F255 HydrophobicContact CD2-CE2 4.07Å; L243-F255 WeakPolarHBondContact O-CD2 3.29Å; L243-A258 HydrophobicContact CD2-CB 3.81Å; L243-V262 HydrophobicContact CD1-CG2 4.21Å; L243-L287 HydrophobicContact CD1-CD2 4.44Å; L243-T290 HydrophobicContact CB-CG2 4.03Å; L243-T290 WeakPolarHBondContact CB-OG1 3.17Å; L243-T290 HydrophobicContact CD1-CG2 4.44Å; L243-F299 HydrophobicContact CD1-CD1 4.09Å; L243-F299 HydrophobicContact CD1-CE1 3.68Å; L243-F299 HydrophobicContact CD2-CE1 4.17Å; L243-F299 HydrophobicContact CD2-CZ 4.46Å
244	D	98.9	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.7	-33.4	179.7	65.3	-13.1	0	0	0	111.8	A242 W247 I248 L293 K613 H638 P639	A242-D244 PolarHBondContact O-N 3.06Å; D244-W247 WeakPolarHBondContact O-CB 3.31Å; D244-W247 PolarHBondContact O-N 3.03Å; D244-I248 WeakPolarHBondContact O-CB 3.38Å; D244-I248 WeakPolarHBondContact O-CD1 3.41Å; D244-I248 WeakPolarHBondContact O-CG1 3.48Å; D244-I248 PolarHBondContact O-N 3.4Å; D244-L293 HydrophobicContact CB-CD1 3.7Å; D244-K613 VanDerWaalsContact OD1-CE 3.26Å; D244-K613 WeakPolarHBondContact OD1-CE 3.38Å; D244-K613 IonicContact OD1-NZ 3.46Å; D244-K613 PolarHBondContact OD1-NZ 3.3Å; D244-K613 IonicContact OD2-NZ 3.27Å; D244-K613 PolarHBondContact OD2-NZ 3.22Å; D244-H638 VanDerWaalsContact CG-ND1 3.3Å; D244-H638 IonicContact OD1-CE1 3.97Å; D244-H638 IonicContact OD1-ND1 3.7Å; D244-H638 PolarHBondContact OD1-ND1 3.47Å; D244-H638 WeakPolarHBondContact OD2-CA 3.37Å; D244-H638 IonicContact OD2-CE1 3.88Å; D244-H638 IonicContact OD2-CG 2.74Å; D244-H638 IonicContact OD2-ND1 3.81Å; D244-H638 PolarHBondContact OD2-ND1 3Å; D244-P639 VanDerWaalsContact OD2-CD 3.25Å; D244-P639 WeakPolarHBondContact OD2-CD 3.38Å
245	T	98.9	Very high	98.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.2	-49	169.8	-52	0	0	0	0	111.2	F205 A242 W247 I248 L249 L608 G609 K613	F205-T245 HydrophobicContact CD2-CG2 3.71Å; F205-T245 HydrophobicContact CE2-CG2 3.47Å; F205-T245 VanDerWaalsContact CE2-CG2 3.47Å; F205-T245 HydrophobicContact CZ-CG2 4.48Å; A242-T245 PolarHBondContact O-N 3Å; T245-W247 PolarHBondContact O-N 2.99Å; T245-I248 PolarHBondContact O-N 3.26Å; T245-L249 HydrophobicContact CG2-CD1 3.72Å; T245-L249 HydrophobicContact CG2-CD2 4.06Å; T245-L249 HydrophobicContact CG2-CG 4.46Å; T245-L249 WeakPolarHBondContact O-CB 3.18Å; T245-L249 WeakPolarHBondContact O-CD1 3.36Å; T245-L249 PolarHBondContact O-N 3.04Å; T245-L608 WeakPolarHBondContact CB-O 3.44Å; T245-L608 VanDerWaalsContact CG2-O 3.31Å; T245-L608 WeakPolarHBondContact CG2-O 3.27Å; T245-L608 PolarHBondContact OG1-O 2.86Å; T245-G609 PolarHBondContact OG1-O 3.17Å; T245-K613 HydrophobicContact CG2-CB 4.09Å; T245-K613 WeakPolarHBondContact OG1-CE 3.5Å
246	M	98.9	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.4	-39.8	176.4	-72.2	-177.6	-73.1	0	0	111.3	F205 W209 A242 L243 D250 L251 E254 F255 A258	F205-M246 HydrophobicContact CE1-CG 3.51Å; F205-M246 HydrophobicContact CE1-SD 4.21Å; F205-M246 HydrophobicContact CE2-CG 4.44Å; F205-M246 HydrophobicContact CZ-CG 3.37Å; F205-M246 HydrophobicContact CZ-SD 4.25Å; W209-M246 HydrophobicContact CD2-SD 4.33Å; W209-M246 HydrophobicContact CH2-CE 3.91Å; W209-M246 HydrophobicContact CH2-SD 4.2Å; W209-M246 HydrophobicContact CZ2-CE 3.93Å; W209-M246 HydrophobicContact CZ2-SD 3.75Å; A242-M246 HydrophobicContact CB-CE 4.3Å; A242-M246 WeakPolarHBondContact O-CG 3.26Å; A242-M246 PolarHBondContact O-N 3.36Å; L243-M246 HydrophobicContact CD2-CE 4.26Å; L243-M246 PolarHBondContact O-N 2.89Å; M246-D250 PolarHBondContact O-N 3.01Å; M246-L251 HydrophobicContact CB-CB 4.27Å; M246-L251 WeakPolarHBondContact O-CA 3.42Å; M246-L251 PolarHBondContact O-N 3.38Å; M246-E254 HydrophobicContact CG-CB 4.42Å; M246-E254 VanDerWaalsContact SD-C 3.57Å; M246-E254 HydrophobicContact SD-CB 3.67Å; M246-F255 HydrophobicContact CB-CB 4.08Å; M246-F255 HydrophobicContact CB-CD2 4.36Å; M246-A258 HydrophobicContact CE-CB 3.59Å
247	W	98.8	Very high	98.6	Very high	79 Å²	79	27.9 Å²	27.9	30%	0.299	13%	0.129	S	C	.	.	H	α-helix	trans	-65.7	-44.9	176.7	-168.4	-94	0	0	0	113.2	L243 D244 T245 D250 K252 F255 L293 T294	L243-W247 PolarHBondContact O-N 2.73Å; L243-W247 VanDerWaalsContact O-N 3.12Å; D244-W247 WeakPolarHBondContact O-CB 3.31Å; D244-W247 PolarHBondContact O-N 3.03Å; T245-W247 PolarHBondContact O-N 2.99Å; W247-D250 PolarHBondContact O-N 3.01Å; W247-K252 HydrophobicContact CD2-CD 4.39Å; W247-K252 HydrophobicContact CE3-CD 3.86Å; W247-K252 HydrophobicContact CZ3-CD 3.96Å; W247-K252 PolarHBondContact O-NZ 3.47Å; W247-F255 HydrophobicContact CB-CD2 4.39Å; W247-F255 AromaticContact CE3-CD1 3.81Å; W247-F255 HydrophobicContact CE3-CD1 3.81Å; W247-F255 HydrophobicContact CE3-CD2 4.23Å; W247-F255 AromaticContact CE3-CE1 3.84Å; W247-F255 HydrophobicContact CE3-CE1 3.84Å; W247-F255 HydrophobicContact CE3-CE2 4.26Å; W247-F255 HydrophobicContact CE3-CG 4.01Å; W247-F255 HydrophobicContact CE3-CZ 4.07Å; W247-F255 AromaticContact CZ3-CD1 3.97Å; W247-F255 HydrophobicContact CZ3-CD1 3.97Å; W247-F255 AromaticContact CZ3-CE1 3.92Å; W247-F255 HydrophobicContact CZ3-CE1 3.92Å; W247-F255 HydrophobicContact CZ3-CZ 4.49Å; W247-L293 HydrophobicContact CG-CB 4.22Å; W247-L293 PolarHBondContact NE1-O 3.13Å; W247-T294 HydrophobicContact CD2-CG2 3.58Å; W247-T294 HydrophobicContact CE3-CG2 3.51Å; W247-T294 HydrophobicContact CG-CG2 4.26Å; W247-T294 HydrophobicContact CH2-CG2 3.95Å; W247-T294 HydrophobicContact CZ2-CG2 4.02Å; W247-T294 HydrophobicContact CZ3-CG2 3.71Å
248	I	98.8	Very high	98.6	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-68.5	-40	-178.9	-69.9	164.3	0	0	0	111.7	D244 T245 D250 L293 K613 Y616 L617 L625 I626 P639	D244-I248 WeakPolarHBondContact O-CB 3.38Å; D244-I248 WeakPolarHBondContact O-CD1 3.41Å; D244-I248 WeakPolarHBondContact O-CG1 3.48Å; D244-I248 PolarHBondContact O-N 3.4Å; T245-I248 PolarHBondContact O-N 3.26Å; I248-D250 PolarHBondContact O-N 3.47Å; I248-L293 HydrophobicContact CD1-CD1 4.16Å; I248-L293 HydrophobicContact CG1-CD1 4.09Å; I248-K613 HydrophobicContact CD1-CD 4.13Å; I248-K613 HydrophobicContact CD1-CG 4.24Å; I248-Y616 HydrophobicContact CG2-CD1 3.93Å; I248-Y616 HydrophobicContact CG2-CE1 4.07Å; I248-Y616 WeakPolarHBondContact O-CE1 3.22Å; I248-Y616 PolarHBondContact O-OH 3.36Å; I248-L617 HydrophobicContact CG2-CD2 4.01Å; I248-L617 HydrophobicContact CG2-CG 4.47Å; I248-L625 HydrophobicContact CG2-CD1 4.31Å; I248-I626 HydrophobicContact CD1-CD1 4.11Å; I248-I626 HydrophobicContact CD1-CG1 4.03Å; I248-I626 HydrophobicContact CG1-CD1 4.09Å; I248-I626 HydrophobicContact CG1-CG1 4.2Å; I248-P639 HydrophobicContact CD1-CG 4.39Å
249	L	98.6	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.6	178.3	-87.8	59	0	0	0	113.5	V201 R202 F205 T245 L251 Y616	V201-L249 HydrophobicContact CG1-CD2 4.39Å; R202-L249 HydrophobicContact CG-CB 4.29Å; R202-L249 HydrophobicContact CG-CD2 4.47Å; R202-L249 HydrophobicContact CG-CG 4.35Å; R202-L249 PolarHBondContact NE-O 2.77Å; R202-L249 PolarHBondContact NH2-O 2.92Å; F205-L249 HydrophobicContact CB-CD2 3.75Å; F205-L249 HydrophobicContact CD2-CD2 3.88Å; F205-L249 HydrophobicContact CG-CD2 3.86Å; T245-L249 HydrophobicContact CG2-CD1 3.72Å; T245-L249 HydrophobicContact CG2-CD2 4.06Å; T245-L249 HydrophobicContact CG2-CG 4.46Å; T245-L249 WeakPolarHBondContact O-CB 3.18Å; T245-L249 WeakPolarHBondContact O-CD1 3.36Å; T245-L249 PolarHBondContact O-N 3.04Å; L249-L251 VanDerWaalsContact C-N 3.35Å; L249-L251 HydrophobicContact CB-CD1 4.02Å; L249-L251 HydrophobicContact CB-CG 3.91Å; L249-L251 HydrophobicContact CD2-CD1 4.19Å; L249-Y616 HydrophobicContact CB-CE2 4.47Å; L249-Y616 HydrophobicContact CD1-CD1 3.65Å; L249-Y616 HydrophobicContact CD1-CD2 4.05Å; L249-Y616 HydrophobicContact CD1-CE1 4.23Å; L249-Y616 HydrophobicContact CD1-CG 3.52Å; L249-Y616 HydrophobicContact CG-CD1 4.18Å; L249-Y616 HydrophobicContact CG-CD2 3.76Å; L249-Y616 HydrophobicContact CG-CE1 4.45Å; L249-Y616 HydrophobicContact CG-CE2 4.07Å; L249-Y616 HydrophobicContact CG-CG 3.79Å
250	D	98.1	Very high	98.6	Very high	100 Å²	100	36.6 Å²	36.6	54%	0.535	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	32.2	-174.2	-157.3	34.4	0	0	0	114.2	M246 W247 I248 K252	M246-D250 PolarHBondContact O-N 3.01Å; W247-D250 PolarHBondContact O-N 3.01Å; I248-D250 PolarHBondContact O-N 3.47Å; D250-K252 VanDerWaalsContact C-N 3.3Å; D250-K252 PolarHBondContact O-N 3.13Å; D250-K252 WeakPolarHBondContact OD1-CE 3.31Å; D250-K252 IonicContact OD1-NZ 2.74Å
251	L	98.6	Very high	98.6	Very high	2 Å²	2	38 Å²	38	1%	0.01	17%	0.172	C	C	.	.			trans	-91.4	60.6	177.3	-59.4	-179.9	0	0	0	110.5	F205 R206 M246 L249 Q253 E254 F255	F205-L251 HydrophobicContact CB-CD1 4.25Å; F205-L251 HydrophobicContact CD1-CD1 3.23Å; F205-L251 HydrophobicContact CE1-CD1 3.75Å; F205-L251 HydrophobicContact CG-CD1 3.85Å; R206-L251 HydrophobicContact CG-CD2 4.35Å; R206-L251 VanDerWaalsContact NH2-CD2 3.29Å; M246-L251 HydrophobicContact CB-CB 4.27Å; M246-L251 WeakPolarHBondContact O-CA 3.42Å; M246-L251 PolarHBondContact O-N 3.38Å; L249-L251 VanDerWaalsContact C-N 3.35Å; L249-L251 HydrophobicContact CB-CD1 4.02Å; L249-L251 HydrophobicContact CB-CG 3.91Å; L249-L251 HydrophobicContact CD2-CD1 4.19Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 2.8Å; L251-E254 HydrophobicContact CB-CB 4.34Å; L251-E254 PolarHBondContact O-N 2.77Å; L251-F255 WeakPolarHBondContact O-CB 3.41Å; L251-F255 PolarHBondContact O-N 2.81Å
252	K	98.1	Very high	98.6	Very high	76 Å²	76	38 Å²	38	33%	0.33	17%	0.172	S	C	.	.	H	α-helix	trans	-66.8	-26.9	-171.1	-55.5	-51.2	-170.1	-165.7	0	114	W247 D250 E256	W247-K252 HydrophobicContact CD2-CD 4.39Å; W247-K252 HydrophobicContact CE3-CD 3.86Å; W247-K252 HydrophobicContact CZ3-CD 3.96Å; W247-K252 PolarHBondContact O-NZ 3.47Å; D250-K252 VanDerWaalsContact C-N 3.3Å; D250-K252 PolarHBondContact O-N 3.13Å; D250-K252 WeakPolarHBondContact OD1-CE 3.31Å; D250-K252 IonicContact OD1-NZ 2.74Å; K252-E256 PolarHBondContact O-N 3.41Å; K252-E256 VanDerWaalsContact O-N 3.13Å
253	Q	98.1	Very high	98.6	Very high	146 Å²	146	40.4 Å²	40.4	68%	0.682	19%	0.192	S	C	*	.	H	α-helix	trans	-71.3	-49.3	176.7	-179.2	178.4	-8.7	0	0	110.7	L251 F255 E256 E257	L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 2.8Å; Q253-F255 VanDerWaalsContact C-N 3.26Å; Q253-F255 PolarHBondContact O-N 3.27Å; Q253-E256 PolarHBondContact O-N 2.73Å; Q253-E257 PolarHBondContact O-N 2.88Å
254	E	98.5	Very high	98.6	Very high	33 Å²	33	44.4 Å²	44.4	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-36.7	176.4	-62.7	91.3	149.5	0	0	111.4	R206 M246 L251 A258	R206-E254 IonicContact NE-OE1 3.35Å; M246-E254 HydrophobicContact CG-CB 4.42Å; M246-E254 VanDerWaalsContact SD-C 3.57Å; M246-E254 HydrophobicContact SD-CB 3.67Å; L251-E254 HydrophobicContact CB-CB 4.34Å; L251-E254 PolarHBondContact O-N 2.77Å; E254-A258 PolarHBondContact O-N 3.25Å
255	F	98.8	Very high	98.5	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-48.8	173.2	-179.1	-94.6	0	0	0	112.9	L243 M246 W247 L251 Q253 E257 A258 R259 T290 T294 F299	L243-F255 HydrophobicContact CB-CE2 4.3Å; L243-F255 HydrophobicContact CD2-CD2 4.34Å; L243-F255 HydrophobicContact CD2-CE2 4.07Å; L243-F255 WeakPolarHBondContact O-CD2 3.29Å; M246-F255 HydrophobicContact CB-CB 4.08Å; M246-F255 HydrophobicContact CB-CD2 4.36Å; W247-F255 HydrophobicContact CB-CD2 4.39Å; W247-F255 AromaticContact CE3-CD1 3.81Å; W247-F255 HydrophobicContact CE3-CD1 3.81Å; W247-F255 HydrophobicContact CE3-CD2 4.23Å; W247-F255 AromaticContact CE3-CE1 3.84Å; W247-F255 HydrophobicContact CE3-CE1 3.84Å; W247-F255 HydrophobicContact CE3-CE2 4.26Å; W247-F255 HydrophobicContact CE3-CG 4.01Å; W247-F255 HydrophobicContact CE3-CZ 4.07Å; W247-F255 AromaticContact CZ3-CD1 3.97Å; W247-F255 HydrophobicContact CZ3-CD1 3.97Å; W247-F255 AromaticContact CZ3-CE1 3.92Å; W247-F255 HydrophobicContact CZ3-CE1 3.92Å; W247-F255 HydrophobicContact CZ3-CZ 4.49Å; L251-F255 WeakPolarHBondContact O-CB 3.41Å; L251-F255 PolarHBondContact O-N 2.81Å; Q253-F255 VanDerWaalsContact C-N 3.26Å; Q253-F255 PolarHBondContact O-N 3.27Å; F255-E257 VanDerWaalsContact C-N 3.35Å; F255-E257 PolarHBondContact O-N 3.2Å; F255-A258 PolarHBondContact O-N 2.97Å; F255-R259 HydrophobicContact CD1-CB 4.41Å; F255-R259 HydrophobicContact CE1-CB 4.1Å; F255-R259 HydrophobicContact CE1-CG 4.18Å; F255-R259 HydrophobicContact CZ-CB 4.45Å; F255-R259 WeakPolarHBondContact O-CB 3.3Å; F255-R259 PolarHBondContact O-N 3.09Å; F255-T290 HydrophobicContact CE2-CG2 3.61Å; F255-T290 HydrophobicContact CZ-CG2 3.71Å; F255-T294 HydrophobicContact CE1-CG2 4Å; F255-T294 HydrophobicContact CE2-CG2 4.2Å; F255-T294 HydrophobicContact CZ-CG2 3.49Å; F255-T294 VanDerWaalsContact CZ-CG2 3.49Å; F255-F299 HydrophobicContact CE2-CZ 4.35Å; F255-F299 AromaticContact CZ-CE2 3.85Å; F255-F299 HydrophobicContact CZ-CE2 3.85Å; F255-F299 AromaticContact CZ-CZ 3.73Å; F255-F299 HydrophobicContact CZ-CZ 3.73Å
256	E	98.7	Very high	98.5	Very high	79 Å²	79	50.1 Å²	50.1	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-41	-177.6	-169.3	61.1	-147.1	0	0	111.4	K252 Q253 A258 R259 E260	K252-E256 PolarHBondContact O-N 3.41Å; K252-E256 VanDerWaalsContact O-N 3.13Å; Q253-E256 PolarHBondContact O-N 2.73Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 2.86Å; E256-R259 PolarHBondContact O-N 2.98Å; E256-R259 VanDerWaalsContact OE1-CD 3.32Å; E256-R259 WeakPolarHBondContact OE1-CD 3.43Å; E256-R259 IonicContact OE1-NH1 3.65Å; E256-R259 PolarHBondContact OE1-NH1 3.35Å; E256-E260 WeakPolarHBondContact O-CG 3.46Å; E256-E260 PolarHBondContact O-N 3.32Å
257	E	98.3	Very high	98.3	Very high	52 Å²	52	52.7 Å²	52.7	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-40.2	175.2	-64.7	177.5	150.4	0	0	112.5	K213 W217 Q253 F255 W261	K213-E257 WeakPolarHBondContact CE-OE2 3.04Å; K213-E257 IonicContact NZ-OE1 2.77Å; K213-E257 PolarHBondContact NZ-OE1 3.47Å; K213-E257 IonicContact NZ-OE2 3.18Å; K213-E257 PolarHBondContact NZ-OE2 3.42Å; W217-E257 HydrophobicContact CH2-CB 4.12Å; Q253-E257 PolarHBondContact O-N 2.88Å; F255-E257 VanDerWaalsContact C-N 3.35Å; F255-E257 PolarHBondContact O-N 3.2Å; E257-W261 PolarHBondContact O-N 3.07Å
258	A	98.7	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.8	-38.4	175.5	0	0	0	0	0	112	W209 L239 L243 M246 E254 F255 E256 W261 V262	W209-A258 HydrophobicContact CH2-CB 4.41Å; W209-A258 HydrophobicContact CZ2-CB 4.15Å; L239-A258 HydrophobicContact CD1-CB 4.25Å; L239-A258 HydrophobicContact CD2-CB 4.01Å; L239-A258 HydrophobicContact CG-CB 3.92Å; L243-A258 HydrophobicContact CD2-CB 3.81Å; M246-A258 HydrophobicContact CE-CB 3.59Å; E254-A258 PolarHBondContact O-N 3.25Å; F255-A258 PolarHBondContact O-N 2.97Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 2.86Å; A258-W261 WeakPolarHBondContact O-CB 3.32Å; A258-W261 PolarHBondContact O-N 3.32Å; A258-V262 WeakPolarHBondContact O-CG2 3.35Å; A258-V262 PolarHBondContact O-N 3.3Å
259	R	98.7	Very high	98	Very high	65 Å²	65	53.7 Å²	53.7	25%	0.245	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-37.2	178.2	-177.6	-100.6	174.1	-156.1	-7.6	111.9	F255 E256 V262 A263 D296 L298 F299	F255-R259 HydrophobicContact CD1-CB 4.41Å; F255-R259 HydrophobicContact CE1-CB 4.1Å; F255-R259 HydrophobicContact CE1-CG 4.18Å; F255-R259 HydrophobicContact CZ-CB 4.45Å; F255-R259 WeakPolarHBondContact O-CB 3.3Å; F255-R259 PolarHBondContact O-N 3.09Å; E256-R259 PolarHBondContact O-N 2.98Å; E256-R259 VanDerWaalsContact OE1-CD 3.32Å; E256-R259 WeakPolarHBondContact OE1-CD 3.43Å; E256-R259 IonicContact OE1-NH1 3.65Å; E256-R259 PolarHBondContact OE1-NH1 3.35Å; R259-V262 PolarHBondContact O-N 3.29Å; R259-A263 PolarHBondContact O-N 3.33Å; R259-D296 IonicContact CZ-OD2 2.65Å; R259-D296 IonicContact NE-OD2 3.61Å; R259-D296 PolarHBondContact NE-OD2 2.98Å; R259-D296 IonicContact NH2-OD1 3.41Å; R259-D296 IonicContact NH2-OD2 3.48Å; R259-D296 PolarHBondContact NH2-OD2 3.21Å; R259-L298 HydrophobicContact CG-CD2 4.39Å; R259-F299 HydrophobicContact CB-CZ 3.98Å; R259-F299 HydrophobicContact CG-CE1 4.46Å; R259-F299 HydrophobicContact CG-CE2 3.97Å; R259-F299 HydrophobicContact CG-CZ 3.47Å; R259-F299 VanDerWaalsContact CG-CZ 3.47Å
260	E	98.7	Very high	97.7	Very high	119 Å²	119	58.3 Å²	58.3	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-59.1	-45.8	168.5	-75.8	-174.4	166.7	0	0	111.7	E256 V262 A263 S264	E256-E260 WeakPolarHBondContact O-CG 3.46Å; E256-E260 PolarHBondContact O-N 3.32Å; E260-V262 PolarHBondContact O-N 2.86Å; E260-A263 WeakPolarHBondContact O-CB 3.38Å; E260-A263 PolarHBondContact O-N 3.45Å; E260-A263 VanDerWaalsContact O-N 3.11Å; E260-S264 PolarHBondContact O-N 3.49Å; E260-S264 PolarHBondContact O-OG 3.48Å
261	W	98.7	Very high	97.5	Very high	29 Å²	29	58.4 Å²	58.4	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-39.2	176.6	-177.1	93.9	0	0	0	112.7	W217 G218 L235 L239 E257 A258 A263 S264 E265 L266	W217-W261 HydrophobicContact CZ2-CB 3.99Å; W217-W261 HydrophobicContact CZ2-CG 4.46Å; W217-W261 AromaticContact NE1-CD1 3.59Å; G218-W261 VanDerWaalsContact CA-CE2 3.49Å; G218-W261 VanDerWaalsContact CA-CZ2 3.46Å; G218-W261 WeakPolarHBondContact O-CZ2 3.43Å; L235-W261 WeakPolarHBondContact O-CH2 3.04Å; L239-W261 HydrophobicContact CD1-CB 3.97Å; L239-W261 HydrophobicContact CD1-CD2 3.69Å; L239-W261 HydrophobicContact CD1-CE3 3.67Å; L239-W261 HydrophobicContact CD1-CG 3.82Å; L239-W261 HydrophobicContact CD1-CZ3 4.44Å; L239-W261 HydrophobicContact CD2-CD2 4.45Å; L239-W261 HydrophobicContact CD2-CE3 3.6Å; L239-W261 HydrophobicContact CD2-CZ3 4.07Å; L239-W261 HydrophobicContact CG-CE3 4.21Å; E257-W261 PolarHBondContact O-N 3.07Å; A258-W261 WeakPolarHBondContact O-CB 3.32Å; A258-W261 PolarHBondContact O-N 3.32Å; W261-A263 VanDerWaalsContact C-N 3.27Å; W261-A263 PolarHBondContact O-N 3.33Å; W261-S264 PolarHBondContact O-N 2.83Å; W261-E265 VanDerWaalsContact CD1-CG 3.48Å; W261-E265 HydrophobicContact CD2-CB 4.06Å; W261-E265 HydrophobicContact CG-CB 4.15Å; W261-E265 HydrophobicContact CG-CG 4.13Å; W261-E265 HydrophobicContact CZ2-CB 4.11Å; W261-E265 PolarHBondContact O-N 2.88Å; W261-L266 HydrophobicContact CE3-CB 4.37Å; W261-L266 HydrophobicContact CH2-CB 4.3Å; W261-L266 HydrophobicContact CH2-CD1 4.13Å; W261-L266 HydrophobicContact CZ3-CB 3.85Å; W261-L266 HydrophobicContact CZ3-CD1 4.08Å; W261-L266 HydrophobicContact CZ3-CG 4.39Å; W261-L266 PolarHBondContact O-N 3.37Å
262	V	98.8	Very high	97.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-36.7	173	170.8	0	0	0	0	111.2	L239 L243 A258 R259 E260 L266 L298 F299 K302	L239-V262 HydrophobicContact CD2-CG2 3.74Å; L243-V262 HydrophobicContact CD1-CG2 4.21Å; A258-V262 WeakPolarHBondContact O-CG2 3.35Å; A258-V262 PolarHBondContact O-N 3.3Å; R259-V262 PolarHBondContact O-N 3.29Å; E260-V262 PolarHBondContact O-N 2.86Å; V262-L266 HydrophobicContact CG1-CD2 4.05Å; V262-L266 HydrophobicContact CG2-CD2 4.4Å; V262-L298 HydrophobicContact CG1-CD2 4.14Å; V262-L298 HydrophobicContact CG1-CG 4.19Å; V262-F299 HydrophobicContact CB-CE1 4.28Å; V262-F299 HydrophobicContact CG1-CD1 4.1Å; V262-F299 HydrophobicContact CG1-CE1 3.96Å; V262-F299 HydrophobicContact CG2-CE1 4.3Å; V262-K302 HydrophobicContact CG1-CG 4.13Å; V262-K302 WeakPolarHBondContact O-CE 3.47Å; V262-K302 PolarHBondContact O-NZ 3.17Å
263	A	98.6	Very high	97.4	Very high	50 Å²	50	60 Å²	60	41%	0.413	31%	0.308	S	S	.	.	H	α-helix	trans	-68.1	-48.8	176.6	0	0	0	0	0	112.3	R259 E260 W261 L298	R259-A263 PolarHBondContact O-N 3.33Å; E260-A263 WeakPolarHBondContact O-CB 3.38Å; E260-A263 PolarHBondContact O-N 3.45Å; E260-A263 VanDerWaalsContact O-N 3.11Å; W261-A263 VanDerWaalsContact C-N 3.27Å; W261-A263 PolarHBondContact O-N 3.33Å; A263-L298 HydrophobicContact CB-CD1 4.46Å; A263-L298 HydrophobicContact CB-CD2 3.83Å
264	S	97.9	Very high	97.4	Very high	85 Å²	85	53.2 Å²	53.2	59%	0.594	28%	0.276	S	S	*	.	H	α-helix	trans	-90.9	-40.6	-171.2	73.2	0	0	0	0	115.2	E260 W261	E260-S264 PolarHBondContact O-N 3.49Å; E260-S264 PolarHBondContact O-OG 3.48Å; W261-S264 PolarHBondContact O-N 2.83Å
265	E	97.8	Very high	97.3	Very high	114 Å²	114	52.9 Å²	52.9	53%	0.533	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-32	-167.7	-53.6	-46.8	123.5	0	0	114.2	W261 T267	W261-E265 VanDerWaalsContact CD1-CG 3.48Å; W261-E265 HydrophobicContact CD2-CB 4.06Å; W261-E265 HydrophobicContact CG-CB 4.15Å; W261-E265 HydrophobicContact CG-CG 4.13Å; W261-E265 HydrophobicContact CZ2-CB 4.11Å; W261-E265 PolarHBondContact O-N 2.88Å; E265-T267 PolarHBondContact O-N 3.36Å; E265-T267 VanDerWaalsContact O-N 3.07Å
266	L	97.9	Very high	97.3	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.031	28%	0.275	C	S	.	.			trans	-67.1	111.8	-173.7	-178.5	58.5	0	0	0	111.7	L235 I240 W261 V262 F268 K302	L235-L266 WeakPolarHBondContact O-CD1 3.14Å; I240-L266 HydrophobicContact CD1-CD1 3.94Å; I240-L266 HydrophobicContact CD1-CD2 3.75Å; I240-L266 HydrophobicContact CG1-CD2 4.42Å; W261-L266 HydrophobicContact CE3-CB 4.37Å; W261-L266 HydrophobicContact CH2-CB 4.3Å; W261-L266 HydrophobicContact CH2-CD1 4.13Å; W261-L266 HydrophobicContact CZ3-CB 3.85Å; W261-L266 HydrophobicContact CZ3-CD1 4.08Å; W261-L266 HydrophobicContact CZ3-CG 4.39Å; W261-L266 PolarHBondContact O-N 3.37Å; V262-L266 HydrophobicContact CG1-CD2 4.05Å; V262-L266 HydrophobicContact CG2-CD2 4.4Å; L266-F268 HydrophobicContact CD1-CE1 3.92Å; L266-F268 HydrophobicContact CD1-CZ 4.03Å; L266-F268 HydrophobicContact CD2-CE1 4.48Å; L266-F268 HydrophobicContact CD2-CE2 4.4Å; L266-F268 HydrophobicContact CD2-CZ 3.8Å; L266-F268 HydrophobicContact CG-CE1 4.31Å; L266-F268 HydrophobicContact CG-CE2 4.36Å; L266-F268 HydrophobicContact CG-CZ 3.92Å; L266-K302 HydrophobicContact CD2-CD 4.29Å; L266-K302 HydrophobicContact CD2-CG 4.49Å; L266-K302 HydrophobicContact CG-CD 4.47Å; L266-K302 PolarHBondContact O-NZ 2.86Å
267	T	95.7	Very high	97.3	Very high	54 Å²	54	50.2 Å²	50.2	33%	0.331	26%	0.263	S	S	.	.			trans	-136.9	130.1	176.6	-173.8	0	0	0	0	112.7	E265 N269	E265-T267 PolarHBondContact O-N 3.36Å; E265-T267 VanDerWaalsContact O-N 3.07Å; T267-N269 VanDerWaalsContact C-N 3.31Å; T267-N269 PolarHBondContact OG1-ND2 3.23Å; T267-N269 VanDerWaalsContact OG1-ND2 3.15Å
268	F	96.8	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-90	9.9	178.9	-54.8	-65.8	0	0	0	113.5	L235 L266 K270 I283 L287 K302 D305 V306 R309 I327	L235-F268 HydrophobicContact CD1-CD1 4Å; L235-F268 HydrophobicContact CD1-CE1 4.16Å; L235-F268 HydrophobicContact CD2-CD1 3.92Å; L235-F268 HydrophobicContact CD2-CE1 4.33Å; L266-F268 HydrophobicContact CD1-CE1 3.92Å; L266-F268 HydrophobicContact CD1-CZ 4.03Å; L266-F268 HydrophobicContact CD2-CE1 4.48Å; L266-F268 HydrophobicContact CD2-CE2 4.4Å; L266-F268 HydrophobicContact CD2-CZ 3.8Å; L266-F268 HydrophobicContact CG-CE1 4.31Å; L266-F268 HydrophobicContact CG-CE2 4.36Å; L266-F268 HydrophobicContact CG-CZ 3.92Å; F268-K270 PolarHBondContact O-N 2.64Å; F268-I283 HydrophobicContact CE1-CG2 4.07Å; F268-I283 HydrophobicContact CZ-CG2 4.26Å; F268-L287 HydrophobicContact CZ-CD1 4.22Å; F268-K302 HydrophobicContact CE2-CB 4.16Å; F268-K302 HydrophobicContact CE2-CD 4.28Å; F268-K302 WeakPolarHBondContact CE2-O 3.08Å; F268-D305 HydrophobicContact CD2-CB 4.04Å; F268-D305 WeakPolarHBondContact CD2-OD2 3.48Å; F268-D305 HydrophobicContact CE2-CB 4.48Å; F268-V306 HydrophobicContact CD1-CB 4.13Å; F268-V306 HydrophobicContact CD1-CG2 4.05Å; F268-V306 HydrophobicContact CD2-CB 4.1Å; F268-V306 HydrophobicContact CE1-CB 3.93Å; F268-V306 HydrophobicContact CE1-CG2 3.97Å; F268-V306 HydrophobicContact CE2-CB 3.89Å; F268-V306 HydrophobicContact CG-CB 4.21Å; F268-V306 HydrophobicContact CG-CG2 4.49Å; F268-V306 HydrophobicContact CZ-CB 3.81Å; F268-V306 HydrophobicContact CZ-CG1 4.35Å; F268-V306 HydrophobicContact CZ-CG2 4.34Å; F268-R309 VanDerWaalsContact CB-CD 3.44Å; F268-R309 PolarHBondContact O-NH1 2.95Å; F268-I327 HydrophobicContact CB-CD1 4.31Å; F268-I327 HydrophobicContact CD1-CD1 4.43Å
269	N	93.3	Very high	97.4	Very high	110 Å²	110	49.9 Å²	49.9	59%	0.588	26%	0.262	S	S	*	.			trans	-76.4	0.8	178.3	-67.8	-42.5	0	0	0	114.2	T267 R309	T267-N269 VanDerWaalsContact C-N 3.31Å; T267-N269 PolarHBondContact OG1-ND2 3.23Å; T267-N269 VanDerWaalsContact OG1-ND2 3.15Å; N269-R309 PolarHBondContact OD1-NH1 3.32Å; N269-R309 PolarHBondContact OD1-NH2 2.75Å
270	K	92.3	Very high	97.4	Very high	96 Å²	96	46.8 Å²	46.8	42%	0.417	25%	0.25	S	S	.	.	S	Bend	trans	-68.9	133.2	-179.5	-64.3	-177.2	-177.3	179.1	0	110.2	G234 L235 F268 V272 G328	G234-K270 WeakPolarHBondContact O-CD 3.26Å; G234-K270 PolarHBondContact O-NZ 3.45Å; L235-K270 HydrophobicContact CD2-CD 4.49Å; F268-K270 PolarHBondContact O-N 2.64Å; K270-V272 VanDerWaalsContact C-N 3.28Å; K270-V272 HydrophobicContact CB-CG1 4.04Å; K270-V272 PolarHBondContact O-N 2.85Å; K270-G328 WeakPolarHBondContact O-CA 3.31Å; K270-G328 PolarHBondContact O-N 2.83Å
271	N	95.4	Very high	97.4	Very high	103 Å²	103	41.2 Å²	41.2	55%	0.551	22%	0.224	S	C	*	.			trans	-78	80.4	170.9	163.9	47.7	0	0	0	109.4	N326 K329	N271-N326 PolarHBondContact OD1-ND2 2.97Å; N271-N326 PolarHBondContact OD1-OD1 3.12Å; N271-K329 WeakPolarHBondContact OD1-CE 3.38Å; N271-K329 PolarHBondContact OD1-NZ 2.9Å
272	V	96.3	Very high	97.4	Very high	32 Å²	32	40.8 Å²	40.8	19%	0.194	22%	0.223	C	C	.	.			trans	-134.1	141	-180	61.7	0	0	0	0	108.8	K270 V274 N326 I327	K270-V272 VanDerWaalsContact C-N 3.28Å; K270-V272 HydrophobicContact CB-CG1 4.04Å; K270-V272 PolarHBondContact O-N 2.85Å; V272-V274 HydrophobicContact CG1-CG1 3.93Å; V272-N326 VanDerWaalsContact O-CA 3.3Å; V272-N326 WeakPolarHBondContact O-CA 3.25Å; V272-N326 PolarHBondContact O-ND2 3.4Å; V272-I327 HydrophobicContact CG1-CD1 3.88Å; V272-I327 HydrophobicContact CG1-CG1 3.88Å; V272-I327 PolarHBondContact O-N 3.01Å
273	D	97.1	Very high	97.4	Very high	80 Å²	80	40.8 Å²	40.8	43%	0.428	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.8	171.9	-54.3	-42.2	0	0	0	107.6	N326 H333	D273-N326 VanDerWaalsContact OD1-CB 3.29Å; D273-N326 WeakPolarHBondContact OD1-CB 3.45Å; D273-N326 PolarHBondContact OD1-ND2 3.3Å; D273-H333 IonicContact OD2-NE2 3.68Å
274	V	97.6	Very high	97.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.2	-177.7	-49.5	0	0	0	0	109.7	F233 V272 S279 L310 D324 V325 I327	F233-V274 HydrophobicContact CD1-CB 3.73Å; F233-V274 HydrophobicContact CD1-CG1 3.76Å; F233-V274 HydrophobicContact CE1-CB 3.83Å; F233-V274 HydrophobicContact CE1-CG1 4.39Å; V272-V274 HydrophobicContact CG1-CG1 3.93Å; V274-S279 WeakPolarHBondContact CB-OG 3.46Å; V274-S279 WeakPolarHBondContact CG2-OG 3.2Å; V274-L310 HydrophobicContact CG2-CD2 3.91Å; V274-D324 WeakPolarHBondContact O-CA 3.46Å; V274-V325 HydrophobicContact CG2-CG1 3.91Å; V274-V325 WeakPolarHBondContact CG2-O 3.46Å; V274-V325 PolarHBondContact N-O 2.64Å; V274-V325 PolarHBondContact O-N 2.98Å; V274-I327 HydrophobicContact CG1-CD1 4.15Å; V274-I327 HydrophobicContact CG1-CG1 4.31Å; V274-I327 HydrophobicContact CG1-CG2 4.28Å; V274-I327 HydrophobicContact CG2-CG2 3.64Å
275	N	98.4	Very high	97.4	Very high	27 Å²	27	34.3 Å²	34.3	14%	0.144	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.8	171.7	177.7	-85.6	0	0	0	109.6	F277 E278 S279 S323 E345	N275-F277 WeakPolarHBondContact OD1-CB 3.41Å; N275-F277 PolarHBondContact OD1-N 3.43Å; N275-E278 HydrophobicContact CB-CB 4.26Å; N275-E278 HydrophobicContact CB-CG 4.22Å; N275-E278 PolarHBondContact OD1-N 3.42Å; N275-S279 VanDerWaalsContact O-CB 3.24Å; N275-S279 WeakPolarHBondContact O-CB 3.41Å; N275-S279 PolarHBondContact O-N 2.89Å; N275-S279 PolarHBondContact O-OG 3.41Å; N275-S323 CarbonylContact C-O 3.59Å; N275-S323 WeakPolarHBondContact CA-O 3.35Å; N275-S323 PolarHBondContact ND2-O 2.98Å; N275-E345 PolarHBondContact ND2-OE2 3.09Å
276	L	98.7	Very high	97.5	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-47.5	-176.3	174.4	65	0	0	0	112.1	T280 L310 A313 F314 P321 S323 I349 F353	L276-T280 VanDerWaalsContact O-CB 3.3Å; L276-T280 WeakPolarHBondContact O-CB 3.47Å; L276-T280 PolarHBondContact O-N 3.16Å; L276-T280 PolarHBondContact O-OG1 2.87Å; L276-L310 HydrophobicContact CD1-CB 3.79Å; L276-L310 HydrophobicContact CD1-CD1 4.28Å; L276-L310 HydrophobicContact CD1-CD2 4.14Å; L276-L310 HydrophobicContact CD1-CG 4.28Å; L276-A313 HydrophobicContact CD1-CB 4.14Å; L276-A313 HydrophobicContact CD2-CB 3.82Å; L276-A313 HydrophobicContact CG-CB 4.39Å; L276-F314 HydrophobicContact CD1-CE2 4.5Å; L276-F314 HydrophobicContact CD2-CE2 4.4Å; L276-F314 HydrophobicContact CD2-CZ 4.28Å; L276-P321 HydrophobicContact CD2-CB 3.57Å; L276-P321 HydrophobicContact CD2-CG 3.69Å; L276-S323 PolarHBondContact N-O 3.09Å; L276-I349 HydrophobicContact CD2-CD1 3.84Å; L276-I349 HydrophobicContact CG-CD1 4.35Å; L276-F353 HydrophobicContact CD1-CZ 4.36Å
277	F	98.8	Very high	97.5	Very high	27 Å²	27	28.6 Å²	28.6	12%	0.118	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-57	-177.5	163	-109.6	0	0	0	111	N275 S279 T280 I281 E345 I349 T635	N275-F277 WeakPolarHBondContact OD1-CB 3.41Å; N275-F277 PolarHBondContact OD1-N 3.43Å; F277-S279 VanDerWaalsContact C-N 3.28Å; F277-S279 PolarHBondContact O-N 3.42Å; F277-T280 WeakPolarHBondContact O-CA 3.37Å; F277-T280 WeakPolarHBondContact O-CB 3.3Å; F277-T280 PolarHBondContact O-N 3.43Å; F277-I281 HydrophobicContact CD1-CD1 4.13Å; F277-I281 HydrophobicContact CD2-CD1 4.17Å; F277-I281 HydrophobicContact CD2-CG2 3.78Å; F277-I281 HydrophobicContact CE1-CD1 3.63Å; F277-I281 HydrophobicContact CE2-CD1 3.68Å; F277-I281 HydrophobicContact CE2-CG2 3.67Å; F277-I281 HydrophobicContact CG-CD1 4.39Å; F277-I281 HydrophobicContact CZ-CD1 3.39Å; F277-I281 HydrophobicContact CZ-CG2 4.46Å; F277-I281 PolarHBondContact O-N 2.86Å; F277-E345 HydrophobicContact CB-CB 3.65Å; F277-E345 HydrophobicContact CB-CG 3.76Å; F277-E345 HydrophobicContact CD1-CG 3.85Å; F277-E345 HydrophobicContact CG-CB 4.07Å; F277-E345 HydrophobicContact CG-CG 3.91Å; F277-I349 HydrophobicContact CB-CG2 4.41Å; F277-I349 HydrophobicContact CD2-CG2 4.39Å; F277-T635 HydrophobicContact CE2-CG2 4.04Å; F277-T635 HydrophobicContact CZ-CG2 4.39Å
278	E	98.5	Very high	97.7	Very high	44 Å²	44	26 Å²	26	21%	0.206	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-36.9	-179.4	-60.9	-75.9	-171	0	0	112.1	W232 F233 N275 T280 R282	W232-E278 HydrophobicContact CH2-CB 4.42Å; W232-E278 HydrophobicContact CH2-CG 4.25Å; W232-E278 HydrophobicContact CZ3-CG 4.3Å; F233-E278 HydrophobicContact CZ-CB 3.69Å; N275-E278 HydrophobicContact CB-CB 4.26Å; N275-E278 HydrophobicContact CB-CG 4.22Å; N275-E278 PolarHBondContact OD1-N 3.42Å; E278-T280 VanDerWaalsContact C-N 3.33Å; E278-R282 VanDerWaalsContact O-CB 3.31Å; E278-R282 WeakPolarHBondContact O-CB 3.3Å; E278-R282 VanDerWaalsContact O-CG 3.29Å; E278-R282 WeakPolarHBondContact O-CG 3.39Å; E278-R282 PolarHBondContact O-N 2.94Å; E278-R282 IonicContact OE2-CZ 2.77Å; E278-R282 IonicContact OE2-NE 2.64Å; E278-R282 PolarHBondContact OE2-NE 2.84Å; E278-R282 IonicContact OE2-NH2 3.76Å; E278-R282 PolarHBondContact OE2-NH2 3.03Å
279	S	98.6	Very high	97.8	Very high	2 Å²	2	26 Å²	26	1%	0.014	13%	0.132	C	C	.	.	I	π-helix	trans	-68.3	-32.9	173.9	-55.6	0	0	0	0	112.7	F233 V274 N275 F277 I283 L284	F233-S279 WeakPolarHBondContact CE1-OG 3.45Å; V274-S279 WeakPolarHBondContact CB-OG 3.46Å; V274-S279 WeakPolarHBondContact CG2-OG 3.2Å; N275-S279 VanDerWaalsContact O-CB 3.24Å; N275-S279 WeakPolarHBondContact O-CB 3.41Å; N275-S279 PolarHBondContact O-N 2.89Å; N275-S279 PolarHBondContact O-OG 3.41Å; F277-S279 VanDerWaalsContact C-N 3.28Å; F277-S279 PolarHBondContact O-N 3.42Å; S279-I283 VanDerWaalsContact O-CB 3.31Å; S279-I283 WeakPolarHBondContact O-CB 3.35Å; S279-I283 PolarHBondContact O-N 3.31Å; S279-L284 PolarHBondContact O-N 2.88Å; S279-L284 VanDerWaalsContact O-N 3.09Å
280	T	98.9	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	I	π-helix	trans	-75	-53.4	-178.4	-60.5	0	0	0	0	110.5	L276 F277 E278 L284 G285 I349 E352 F353	L276-T280 VanDerWaalsContact O-CB 3.3Å; L276-T280 WeakPolarHBondContact O-CB 3.47Å; L276-T280 PolarHBondContact O-N 3.16Å; L276-T280 PolarHBondContact O-OG1 2.87Å; F277-T280 WeakPolarHBondContact O-CA 3.37Å; F277-T280 WeakPolarHBondContact O-CB 3.3Å; F277-T280 PolarHBondContact O-N 3.43Å; E278-T280 VanDerWaalsContact C-N 3.33Å; T280-L284 HydrophobicContact CG2-CD2 4.37Å; T280-L284 WeakPolarHBondContact O-CB 3.32Å; T280-L284 PolarHBondContact O-N 3.45Å; T280-G285 PolarHBondContact O-N 2.72Å; T280-I349 HydrophobicContact CG2-CB 3.77Å; T280-I349 HydrophobicContact CG2-CG2 3.86Å; T280-E352 HydrophobicContact CG2-CB 3.63Å; T280-E352 HydrophobicContact CG2-CG 3.75Å; T280-F353 HydrophobicContact CG2-CD2 3.85Å; T280-F353 HydrophobicContact CG2-CE2 3.73Å; T280-F353 WeakPolarHBondContact OG1-CE2 3.14Å
281	I	98.9	Very high	98.4	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	9%	0.094	C	C	.	.	I	π-helix	trans	-67.7	-44.7	-172.4	70.7	-168.7	0	0	0	110.9	F277 G285 S348 N634 T635 E636 H638	F277-I281 HydrophobicContact CD1-CD1 4.13Å; F277-I281 HydrophobicContact CD2-CD1 4.17Å; F277-I281 HydrophobicContact CD2-CG2 3.78Å; F277-I281 HydrophobicContact CE1-CD1 3.63Å; F277-I281 HydrophobicContact CE2-CD1 3.68Å; F277-I281 HydrophobicContact CE2-CG2 3.67Å; F277-I281 HydrophobicContact CG-CD1 4.39Å; F277-I281 HydrophobicContact CZ-CD1 3.39Å; F277-I281 HydrophobicContact CZ-CG2 4.46Å; F277-I281 PolarHBondContact O-N 2.86Å; I281-G285 WeakPolarHBondContact O-CA 3.28Å; I281-S348 VanDerWaalsContact CG2-O 3.25Å; I281-S348 WeakPolarHBondContact CG2-O 3.4Å; I281-N634 PolarHBondContact O-ND2 3.21Å; I281-T635 HydrophobicContact CB-CG2 3.88Å; I281-T635 HydrophobicContact CD1-CG2 4.11Å; I281-T635 HydrophobicContact CG2-CG2 3.45Å; I281-T635 VanDerWaalsContact CG2-CG2 3.45Å; I281-E636 HydrophobicContact CB-CB 4.11Å; I281-E636 WeakPolarHBondContact CD1-OE2 3.44Å; I281-E636 HydrophobicContact CG1-CB 4.12Å; I281-E636 WeakPolarHBondContact CG1-OE2 3.37Å; I281-H638 PolarHBondContact O-CD2 3.11Å
282	R	98.8	Very high	98.5	Very high	19 Å²	19	16.3 Å²	16.3	7%	0.072	8%	0.079	C	C	.	.	I	π-helix	trans	-79.9	-62.3	-178.4	-53.3	175.9	-171.5	-70.2	-36.3	112.1	L237 D241 E278 G286 S605 E636 H638	L237-R282 HydrophobicContact CD1-CB 3.75Å; L237-R282 HydrophobicContact CD1-CG 4.31Å; D241-R282 WeakPolarHBondContact OD1-CB 3.42Å; E278-R282 VanDerWaalsContact O-CB 3.31Å; E278-R282 WeakPolarHBondContact O-CB 3.3Å; E278-R282 VanDerWaalsContact O-CG 3.29Å; E278-R282 WeakPolarHBondContact O-CG 3.39Å; E278-R282 PolarHBondContact O-N 2.94Å; E278-R282 IonicContact OE2-CZ 2.77Å; E278-R282 IonicContact OE2-NE 2.64Å; E278-R282 PolarHBondContact OE2-NE 2.84Å; E278-R282 IonicContact OE2-NH2 3.76Å; E278-R282 PolarHBondContact OE2-NH2 3.03Å; R282-G286 WeakPolarHBondContact O-CA 3.28Å; R282-G286 PolarHBondContact O-N 2.91Å; R282-S605 PolarHBondContact NH1-OG 3.4Å; R282-E636 HydrophobicContact CG-CG 3.91Å; R282-E636 VanDerWaalsContact CZ-CD 3.49Å; R282-E636 IonicContact CZ-OE1 3.88Å; R282-E636 IonicContact CZ-OE2 2.88Å; R282-E636 VanDerWaalsContact CZ-OE2 3.31Å; R282-E636 IonicContact NE-OE1 3.69Å; R282-E636 IonicContact NE-OE2 3.35Å; R282-E636 IonicContact NH1-OE1 3.64Å; R282-E636 PolarHBondContact NH1-OE1 3.05Å; R282-E636 IonicContact NH1-OE2 3.61Å; R282-E636 IonicContact NH2-OE1 2.86Å; R282-E636 PolarHBondContact NH2-OE1 3.5Å; R282-E636 VanDerWaalsContact NH2-OE1 3.08Å; R282-E636 IonicContact NH2-OE2 2.77Å; R282-E636 PolarHBondContact NH2-OE2 3.44Å; R282-H638 PolarHBondContact O-NE2 2.92Å
283	I	98.8	Very high	98.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-78.6	-52.1	-169.1	-57	175.2	0	0	0	111.2	L235 L237 I240 F268 S279 L287 V306	L235-I283 HydrophobicContact CB-CD1 4.14Å; L235-I283 HydrophobicContact CD1-CD1 3.66Å; L237-I283 HydrophobicContact CD1-CD1 4.17Å; L237-I283 HydrophobicContact CD1-CG1 3.8Å; I240-I283 HydrophobicContact CD1-CG2 4.06Å; I240-I283 HydrophobicContact CG2-CG2 4.44Å; F268-I283 HydrophobicContact CE1-CG2 4.07Å; F268-I283 HydrophobicContact CZ-CG2 4.26Å; S279-I283 VanDerWaalsContact O-CB 3.31Å; S279-I283 WeakPolarHBondContact O-CB 3.35Å; S279-I283 PolarHBondContact O-N 3.31Å; I283-L287 HydrophobicContact CG2-CD1 3.97Å; I283-L287 WeakPolarHBondContact O-CB 3.3Å; I283-L287 WeakPolarHBondContact O-CD1 3.45Å; I283-L287 WeakPolarHBondContact O-CG 3.41Å; I283-L287 PolarHBondContact O-N 3.44Å; I283-L287 VanDerWaalsContact O-N 3.14Å; I283-V306 HydrophobicContact CG2-CG1 4.38Å; I283-V306 HydrophobicContact CG2-CG2 4.35Å
284	L	98.9	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-69.7	-44.1	179.5	-179.3	60.6	0	0	0	111.2	S279 T280 L287 L288 A303 V306 E352 F353 L356	S279-L284 PolarHBondContact O-N 2.88Å; S279-L284 VanDerWaalsContact O-N 3.09Å; T280-L284 HydrophobicContact CG2-CD2 4.37Å; T280-L284 WeakPolarHBondContact O-CB 3.32Å; T280-L284 PolarHBondContact O-N 3.45Å; L284-L287 PolarHBondContact O-N 3.49Å; L284-L288 HydrophobicContact CD1-CD1 3.91Å; L284-L288 HydrophobicContact CD1-CG 3.99Å; L284-L288 HydrophobicContact CG-CD1 3.82Å; L284-L288 HydrophobicContact CG-CG 4.36Å; L284-L288 WeakPolarHBondContact O-CB 3.44Å; L284-L288 VanDerWaalsContact O-CG 3.23Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.23Å; L284-A303 HydrophobicContact CD1-CB 3.66Å; L284-A303 WeakPolarHBondContact CD1-O 3.44Å; L284-V306 HydrophobicContact CB-CG1 4.38Å; L284-V306 HydrophobicContact CD1-CG1 4.17Å; L284-E352 HydrophobicContact CD2-CB 3.85Å; L284-E352 HydrophobicContact CG-CB 4.03Å; L284-F353 HydrophobicContact CD2-CD2 3.9Å; L284-F353 HydrophobicContact CD2-CE2 3.85Å; L284-L356 HydrophobicContact CD1-CD1 4.43Å; L284-L356 HydrophobicContact CD1-CD2 4.2Å; L284-L356 HydrophobicContact CD2-CD2 4.24Å
285	G	98.9	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.6	-48	176.5	0	0	0	0	0	113.5	T280 I281 L288 S289	T280-G285 PolarHBondContact O-N 2.72Å; I281-G285 WeakPolarHBondContact O-CA 3.28Å; G285-L288 PolarHBondContact O-N 2.78Å; G285-S289 WeakPolarHBondContact O-CB 3.4Å; G285-S289 PolarHBondContact O-N 2.8Å; G285-S289 PolarHBondContact O-OG 3.06Å
286	G	98.9	Very high	98.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-42.6	177.8	0	0	0	0	0	113.4	R282 T290 H638	R282-G286 WeakPolarHBondContact O-CA 3.28Å; R282-G286 PolarHBondContact O-N 2.91Å; G286-T290 VanDerWaalsContact O-CB 3.28Å; G286-T290 WeakPolarHBondContact O-CB 3.2Å; G286-T290 PolarHBondContact O-N 3.36Å; G286-T290 PolarHBondContact O-OG1 2.9Å; G286-H638 VanDerWaalsContact CA-CE1 3.46Å; G286-H638 WeakPolarHBondContact CA-CE1 3.41Å; G286-H638 WeakPolarHBondContact CA-ND1 3.39Å; G286-H638 PolarHBondContact N-CD2 2.95Å
287	L	98.9	Very high	98.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-45.7	175.5	-69.6	171	0	0	0	112.2	I240 L243 F268 I283 L284 T290 Y291 F299 K302 A303 V306	I240-L287 HydrophobicContact CG2-CD2 4.26Å; I240-L287 HydrophobicContact CG2-CG 4.03Å; L243-L287 HydrophobicContact CD1-CD2 4.44Å; F268-L287 HydrophobicContact CZ-CD1 4.22Å; I283-L287 HydrophobicContact CG2-CD1 3.97Å; I283-L287 WeakPolarHBondContact O-CB 3.3Å; I283-L287 WeakPolarHBondContact O-CD1 3.45Å; I283-L287 WeakPolarHBondContact O-CG 3.41Å; I283-L287 PolarHBondContact O-N 3.44Å; I283-L287 VanDerWaalsContact O-N 3.14Å; L284-L287 PolarHBondContact O-N 3.49Å; L287-T290 PolarHBondContact O-N 2.93Å; L287-Y291 PolarHBondContact O-N 3.02Å; L287-F299 HydrophobicContact CD2-CB 4.46Å; L287-F299 HydrophobicContact CD2-CD1 3.84Å; L287-F299 WeakPolarHBondContact O-CB 3.5Å; L287-K302 HydrophobicContact CD1-CB 3.88Å; L287-K302 HydrophobicContact CD2-CB 4.19Å; L287-A303 HydrophobicContact CB-CB 4.01Å; L287-V306 HydrophobicContact CD1-CG1 4.32Å
288	L	98.9	Very high	98.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-44.3	177.9	-73.5	171.1	0	0	0	112	L284 G285 Y291 H292 L300 A303 E352 E355 L356 L359 L640	L284-L288 HydrophobicContact CD1-CD1 3.91Å; L284-L288 HydrophobicContact CD1-CG 3.99Å; L284-L288 HydrophobicContact CG-CD1 3.82Å; L284-L288 HydrophobicContact CG-CG 4.36Å; L284-L288 WeakPolarHBondContact O-CB 3.44Å; L284-L288 VanDerWaalsContact O-CG 3.23Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.23Å; G285-L288 PolarHBondContact O-N 2.78Å; L288-Y291 WeakPolarHBondContact O-CB 3.49Å; L288-Y291 PolarHBondContact O-N 3.48Å; L288-H292 PolarHBondContact O-CD2 3.2Å; L288-H292 PolarHBondContact O-N 2.63Å; L288-L300 HydrophobicContact CD2-CD1 4.43Å; L288-A303 HydrophobicContact CD2-CB 4.01Å; L288-A303 HydrophobicContact CG-CB 4.19Å; L288-E352 HydrophobicContact CD1-CB 4.14Å; L288-E352 WeakPolarHBondContact CD1-O 3.2Å; L288-E355 HydrophobicContact CD1-CB 4.43Å; L288-L356 HydrophobicContact CD2-CD1 4.29Å; L288-L359 HydrophobicContact CD2-CD1 3.81Å; L288-L640 HydrophobicContact CB-CD2 3.66Å; L288-L640 HydrophobicContact CD1-CD2 4.44Å
289	S	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.3	-37.7	-179.4	-57.3	0	0	0	0	111.6	G285 Y291 H292 L293 H638 P639 L640	G285-S289 WeakPolarHBondContact O-CB 3.4Å; G285-S289 PolarHBondContact O-N 2.8Å; G285-S289 PolarHBondContact O-OG 3.06Å; S289-Y291 VanDerWaalsContact C-N 3.34Å; S289-Y291 PolarHBondContact O-N 3.26Å; S289-H292 PolarHBondContact O-N 3.02Å; S289-L293 WeakPolarHBondContact O-CB 3.49Å; S289-L293 VanDerWaalsContact O-CG 3.27Å; S289-L293 WeakPolarHBondContact O-CG 3.44Å; S289-L293 PolarHBondContact O-N 2.6Å; S289-H638 VanDerWaalsContact OG-C 3.22Å; S289-H638 VanDerWaalsContact OG-CB 3.28Å; S289-H638 WeakPolarHBondContact OG-CB 3.45Å; S289-P639 PolarHBondContact OG-O 3.41Å; S289-L640 WeakPolarHBondContact OG-CD2 3.34Å
290	T	98.9	Very high	98.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-42.1	172.4	-55.8	0	0	0	0	111.6	L243 F255 G286 L287 H292 L293 T294 F299	L243-T290 HydrophobicContact CB-CG2 4.03Å; L243-T290 WeakPolarHBondContact CB-OG1 3.17Å; L243-T290 HydrophobicContact CD1-CG2 4.44Å; F255-T290 HydrophobicContact CE2-CG2 3.61Å; F255-T290 HydrophobicContact CZ-CG2 3.71Å; G286-T290 VanDerWaalsContact O-CB 3.28Å; G286-T290 WeakPolarHBondContact O-CB 3.2Å; G286-T290 PolarHBondContact O-N 3.36Å; G286-T290 PolarHBondContact O-OG1 2.9Å; L287-T290 PolarHBondContact O-N 2.93Å; T290-H292 PolarHBondContact O-N 3.37Å; T290-L293 PolarHBondContact O-N 3.33Å; T290-T294 HydrophobicContact CG2-CG2 4.18Å; T290-T294 WeakPolarHBondContact O-CB 3.46Å; T290-T294 WeakPolarHBondContact O-CG2 3.47Å; T290-T294 PolarHBondContact O-N 3.02Å; T290-T294 VanDerWaalsContact O-N 3.07Å; T290-T294 PolarHBondContact O-OG1 2.75Å; T290-F299 HydrophobicContact CG2-CD1 3.88Å; T290-F299 HydrophobicContact CG2-CD2 3.61Å; T290-F299 HydrophobicContact CG2-CE1 3.79Å; T290-F299 HydrophobicContact CG2-CE2 3.51Å; T290-F299 HydrophobicContact CG2-CG 3.78Å; T290-F299 HydrophobicContact CG2-CZ 3.58Å
291	Y	98.9	Very high	98.8	Very high	55 Å²	55	24.4 Å²	24.4	22%	0.216	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-48.5	171.9	167.8	-104.4	0	0	0	111.7	L287 L288 S289 L293 T294 G295 D296 L300 L359	L287-Y291 PolarHBondContact O-N 3.02Å; L288-Y291 WeakPolarHBondContact O-CB 3.49Å; L288-Y291 PolarHBondContact O-N 3.48Å; S289-Y291 VanDerWaalsContact C-N 3.34Å; S289-Y291 PolarHBondContact O-N 3.26Å; Y291-L293 VanDerWaalsContact C-N 3.33Å; Y291-L293 PolarHBondContact O-N 2.89Å; Y291-T294 PolarHBondContact O-N 2.78Å; Y291-G295 WeakPolarHBondContact O-CA 3.38Å; Y291-G295 PolarHBondContact O-N 3.31Å; Y291-D296 WeakPolarHBondContact CD2-O 3.26Å; Y291-L300 HydrophobicContact CD1-CB 4.39Å; Y291-L300 HydrophobicContact CD2-CB 3.69Å; Y291-L300 HydrophobicContact CD2-CD2 4.5Å; Y291-L300 HydrophobicContact CE1-CD2 4.11Å; Y291-L300 HydrophobicContact CE2-CB 3.99Å; Y291-L300 HydrophobicContact CE2-CD2 4.02Å; Y291-L300 HydrophobicContact CG-CB 3.9Å; Y291-L359 HydrophobicContact CD1-CD1 3.75Å; Y291-L359 HydrophobicContact CE1-CD1 3.75Å; Y291-L359 HydrophobicContact CE1-CD2 3.81Å; Y291-L359 HydrophobicContact CE1-CG 4.4Å
292	H	98.8	Very high	98.8	Very high	49 Å²	49	26 Å²	26	23%	0.227	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-33.6	-179.7	-76.5	-58.4	0	0	0	114.6	L288 S289 T290 E355 R358 L359 P641	L288-H292 PolarHBondContact O-CD2 3.2Å; L288-H292 PolarHBondContact O-N 2.63Å; S289-H292 PolarHBondContact O-N 3.02Å; T290-H292 PolarHBondContact O-N 3.37Å; H292-E355 IonicContact NE2-OE1 2.67Å; H292-E355 PolarHBondContact NE2-OE1 3.12Å; H292-R358 PolarHBondContact NE2-NH2 3.35Å; H292-L359 WeakPolarHBondContact NE2-CD2 3.02Å; H292-P641 WeakPolarHBondContact CD2-CD 3.4Å
293	L	98.6	Very high	98.8	Very high	28 Å²	28	25 Å²	25	15%	0.147	15%	0.147	C	C	.	.	H	α-helix	trans	-82.1	-24.8	-178.2	-68	173.8	0	0	0	113.4	D244 W247 I248 S289 T290 Y291 I626 P639	D244-L293 HydrophobicContact CB-CD1 3.7Å; W247-L293 HydrophobicContact CG-CB 4.22Å; W247-L293 PolarHBondContact NE1-O 3.13Å; I248-L293 HydrophobicContact CD1-CD1 4.16Å; I248-L293 HydrophobicContact CG1-CD1 4.09Å; S289-L293 WeakPolarHBondContact O-CB 3.49Å; S289-L293 VanDerWaalsContact O-CG 3.27Å; S289-L293 WeakPolarHBondContact O-CG 3.44Å; S289-L293 PolarHBondContact O-N 2.6Å; T290-L293 PolarHBondContact O-N 3.33Å; Y291-L293 VanDerWaalsContact C-N 3.33Å; Y291-L293 PolarHBondContact O-N 2.89Å; L293-I626 HydrophobicContact CD2-CD1 3.67Å; L293-P639 HydrophobicContact CD1-CG 4.22Å
294	T	98.6	Very high	98.8	Very high	38 Å²	38	28.5 Å²	28.5	23%	0.233	16%	0.162	C	C	.	.	H	α-helix	trans	-112.1	-28.7	-173.3	64	0	0	0	0	114.3	W247 F255 T290 Y291 D296	W247-T294 HydrophobicContact CD2-CG2 3.58Å; W247-T294 HydrophobicContact CE3-CG2 3.51Å; W247-T294 HydrophobicContact CG-CG2 4.26Å; W247-T294 HydrophobicContact CH2-CG2 3.95Å; W247-T294 HydrophobicContact CZ2-CG2 4.02Å; W247-T294 HydrophobicContact CZ3-CG2 3.71Å; F255-T294 HydrophobicContact CE1-CG2 4Å; F255-T294 HydrophobicContact CE2-CG2 4.2Å; F255-T294 HydrophobicContact CZ-CG2 3.49Å; F255-T294 VanDerWaalsContact CZ-CG2 3.49Å; T290-T294 HydrophobicContact CG2-CG2 4.18Å; T290-T294 WeakPolarHBondContact O-CB 3.46Å; T290-T294 WeakPolarHBondContact O-CG2 3.47Å; T290-T294 PolarHBondContact O-N 3.02Å; T290-T294 VanDerWaalsContact O-N 3.07Å; T290-T294 PolarHBondContact O-OG1 2.75Å; Y291-T294 PolarHBondContact O-N 2.78Å; T294-D296 PolarHBondContact O-N 3.33Å; T294-D296 PolarHBondContact OG1-N 3.47Å
295	G	98.5	Very high	98.8	Very high	57 Å²	57	31.1 Å²	31.1	59%	0.588	18%	0.176	S	C	*	.			trans	74.5	2.6	-168.7	0	0	0	0	0	115	Y291 S297	Y291-G295 WeakPolarHBondContact O-CA 3.38Å; Y291-G295 PolarHBondContact O-N 3.31Å; G295-S297 PolarHBondContact O-N 3.4Å
296	D	98.6	Very high	98.8	Very high	37 Å²	37	31.2 Å²	31.2	20%	0.198	18%	0.176	C	C	.	.			trans	-77.5	112.4	-178.4	-175.9	-4.7	0	0	0	111.3	R259 Y291 T294 L298 F299	R259-D296 IonicContact CZ-OD2 2.65Å; R259-D296 IonicContact NE-OD2 3.61Å; R259-D296 PolarHBondContact NE-OD2 2.98Å; R259-D296 IonicContact NH2-OD1 3.41Å; R259-D296 IonicContact NH2-OD2 3.48Å; R259-D296 PolarHBondContact NH2-OD2 3.21Å; Y291-D296 WeakPolarHBondContact CD2-O 3.26Å; T294-D296 PolarHBondContact O-N 3.33Å; T294-D296 PolarHBondContact OG1-N 3.47Å; D296-L298 PolarHBondContact O-N 3.25Å; D296-L298 VanDerWaalsContact O-N 3.11Å; D296-L298 VanDerWaalsContact OD1-CB 3.29Å; D296-L298 WeakPolarHBondContact OD1-CB 3.14Å; D296-L298 PolarHBondContact OD1-N 2.72Å; D296-F299 HydrophobicContact CB-CD2 3.9Å; D296-F299 HydrophobicContact CB-CE2 3.94Å; D296-F299 PolarHBondContact O-N 2.86Å
297	S	98.6	Very high	98.8	Very high	69 Å²	69	31.2 Å²	31.2	48%	0.483	18%	0.176	S	C	.	.	H	α-helix	trans	-61.3	-20.3	-176.6	64.1	0	0	0	0	113.9	G295 F299 L300 D301	G295-S297 PolarHBondContact O-N 3.4Å; S297-F299 PolarHBondContact O-N 3.07Å; S297-L300 PolarHBondContact O-N 2.86Å; S297-L300 VanDerWaalsContact O-N 3.08Å; S297-D301 PolarHBondContact O-N 2.9Å
298	L	98.8	Very high	98.7	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.147	19%	0.192	C	C	.	.	H	α-helix	trans	-48.6	-45.2	173.6	171.1	62.4	0	0	0	111.8	R259 V262 A263 D296 D301 K302	R259-L298 HydrophobicContact CG-CD2 4.39Å; V262-L298 HydrophobicContact CG1-CD2 4.14Å; V262-L298 HydrophobicContact CG1-CG 4.19Å; A263-L298 HydrophobicContact CB-CD1 4.46Å; A263-L298 HydrophobicContact CB-CD2 3.83Å; D296-L298 PolarHBondContact O-N 3.25Å; D296-L298 VanDerWaalsContact O-N 3.11Å; D296-L298 VanDerWaalsContact OD1-CB 3.29Å; D296-L298 WeakPolarHBondContact OD1-CB 3.14Å; D296-L298 PolarHBondContact OD1-N 2.72Å; L298-D301 PolarHBondContact O-N 3.04Å; L298-K302 HydrophobicContact CD1-CG 4.25Å; L298-K302 VanDerWaalsContact O-CG 3.26Å; L298-K302 WeakPolarHBondContact O-CG 3.42Å; L298-K302 PolarHBondContact O-N 3.47Å
299	F	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.9	-34.1	-176.6	-58.3	-72.6	0	0	0	112.1	L243 F255 R259 V262 L287 T290 D296 S297 A303	L243-F299 HydrophobicContact CD1-CD1 4.09Å; L243-F299 HydrophobicContact CD1-CE1 3.68Å; L243-F299 HydrophobicContact CD2-CE1 4.17Å; L243-F299 HydrophobicContact CD2-CZ 4.46Å; F255-F299 HydrophobicContact CE2-CZ 4.35Å; F255-F299 AromaticContact CZ-CE2 3.85Å; F255-F299 HydrophobicContact CZ-CE2 3.85Å; F255-F299 AromaticContact CZ-CZ 3.73Å; F255-F299 HydrophobicContact CZ-CZ 3.73Å; R259-F299 HydrophobicContact CB-CZ 3.98Å; R259-F299 HydrophobicContact CG-CE1 4.46Å; R259-F299 HydrophobicContact CG-CE2 3.97Å; R259-F299 HydrophobicContact CG-CZ 3.47Å; R259-F299 VanDerWaalsContact CG-CZ 3.47Å; V262-F299 HydrophobicContact CB-CE1 4.28Å; V262-F299 HydrophobicContact CG1-CD1 4.1Å; V262-F299 HydrophobicContact CG1-CE1 3.96Å; V262-F299 HydrophobicContact CG2-CE1 4.3Å; L287-F299 HydrophobicContact CD2-CB 4.46Å; L287-F299 HydrophobicContact CD2-CD1 3.84Å; L287-F299 WeakPolarHBondContact O-CB 3.5Å; T290-F299 HydrophobicContact CG2-CD1 3.88Å; T290-F299 HydrophobicContact CG2-CD2 3.61Å; T290-F299 HydrophobicContact CG2-CE1 3.79Å; T290-F299 HydrophobicContact CG2-CE2 3.51Å; T290-F299 HydrophobicContact CG2-CG 3.78Å; T290-F299 HydrophobicContact CG2-CZ 3.58Å; D296-F299 HydrophobicContact CB-CD2 3.9Å; D296-F299 HydrophobicContact CB-CE2 3.94Å; D296-F299 PolarHBondContact O-N 2.86Å; S297-F299 PolarHBondContact O-N 3.07Å; F299-A303 VanDerWaalsContact O-CB 3.23Å; F299-A303 WeakPolarHBondContact O-CB 3.45Å; F299-A303 PolarHBondContact O-N 2.91Å
300	L	98.9	Very high	98.7	Very high	26 Å²	26	35.9 Å²	35.9	14%	0.136	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-39.8	173.4	179	56.5	0	0	0	112	L288 Y291 S297 K302 A303 K304 L356 L359 T360	L288-L300 HydrophobicContact CD2-CD1 4.43Å; Y291-L300 HydrophobicContact CD1-CB 4.39Å; Y291-L300 HydrophobicContact CD2-CB 3.69Å; Y291-L300 HydrophobicContact CD2-CD2 4.5Å; Y291-L300 HydrophobicContact CE1-CD2 4.11Å; Y291-L300 HydrophobicContact CE2-CB 3.99Å; Y291-L300 HydrophobicContact CE2-CD2 4.02Å; Y291-L300 HydrophobicContact CG-CB 3.9Å; S297-L300 PolarHBondContact O-N 2.86Å; S297-L300 VanDerWaalsContact O-N 3.08Å; L300-K302 VanDerWaalsContact C-N 3.35Å; L300-K302 PolarHBondContact O-N 2.9Å; L300-A303 PolarHBondContact O-N 2.99Å; L300-K304 WeakPolarHBondContact O-CB 3.4Å; L300-K304 PolarHBondContact O-N 2.97Å; L300-L356 HydrophobicContact CD1-CD1 4.46Å; L300-L359 HydrophobicContact CD1-CB 3.81Å; L300-L359 HydrophobicContact CD1-CD1 3.79Å; L300-L359 HydrophobicContact CD1-CG 4.46Å; L300-L359 HydrophobicContact CD2-CB 4.2Å; L300-T360 HydrophobicContact CD1-CG2 4.43Å
301	D	98.8	Very high	98.7	Very high	104 Å²	104	37.9 Å²	37.9	56%	0.556	21%	0.211	S	C	*	.	H	α-helix	trans	-62.6	-42.4	175.8	-71.3	-30.9	0	0	0	111.2	S297 L298 K304 D305	S297-D301 PolarHBondContact O-N 2.9Å; L298-D301 PolarHBondContact O-N 3.04Å; D301-K304 PolarHBondContact O-N 3.17Å; D301-D305 PolarHBondContact O-N 2.6Å; D301-D305 VanDerWaalsContact O-N 3.08Å
302	K	98.8	Very high	98.7	Very high	35 Å²	35	37 Å²	37	15%	0.152	21%	0.212	C	C	.	.	H	α-helix	trans	-67.5	-41.7	174.2	-62.8	-72.6	-175.7	171.7	0	112	V262 L266 F268 L287 L298 L300 K304 D305 V306	V262-K302 HydrophobicContact CG1-CG 4.13Å; V262-K302 WeakPolarHBondContact O-CE 3.47Å; V262-K302 PolarHBondContact O-NZ 3.17Å; L266-K302 HydrophobicContact CD2-CD 4.29Å; L266-K302 HydrophobicContact CD2-CG 4.49Å; L266-K302 HydrophobicContact CG-CD 4.47Å; L266-K302 PolarHBondContact O-NZ 2.86Å; F268-K302 HydrophobicContact CE2-CB 4.16Å; F268-K302 HydrophobicContact CE2-CD 4.28Å; F268-K302 WeakPolarHBondContact CE2-O 3.08Å; L287-K302 HydrophobicContact CD1-CB 3.88Å; L287-K302 HydrophobicContact CD2-CB 4.19Å; L298-K302 HydrophobicContact CD1-CG 4.25Å; L298-K302 VanDerWaalsContact O-CG 3.26Å; L298-K302 WeakPolarHBondContact O-CG 3.42Å; L298-K302 PolarHBondContact O-N 3.47Å; L300-K302 VanDerWaalsContact C-N 3.35Å; L300-K302 PolarHBondContact O-N 2.9Å; K302-K304 VanDerWaalsContact C-N 3.29Å; K302-K304 PolarHBondContact O-N 2.82Å; K302-D305 PolarHBondContact O-N 3.5Å; K302-V306 PolarHBondContact O-N 2.73Å
303	A	98.9	Very high	98.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-41.8	175.5	0	0	0	0	0	111.5	L284 L287 L288 F299 L300 V306 G307 L356	L284-A303 HydrophobicContact CD1-CB 3.66Å; L284-A303 WeakPolarHBondContact CD1-O 3.44Å; L287-A303 HydrophobicContact CB-CB 4.01Å; L288-A303 HydrophobicContact CD2-CB 4.01Å; L288-A303 HydrophobicContact CG-CB 4.19Å; F299-A303 VanDerWaalsContact O-CB 3.23Å; F299-A303 WeakPolarHBondContact O-CB 3.45Å; F299-A303 PolarHBondContact O-N 2.91Å; L300-A303 PolarHBondContact O-N 2.99Å; A303-V306 WeakPolarHBondContact O-CG1 3.49Å; A303-G307 PolarHBondContact O-N 2.65Å; A303-L356 HydrophobicContact CB-CD1 4.3Å
304	K	98.8	Very high	98.7	Very high	72 Å²	72	34 Å²	34	31%	0.313	20%	0.197	S	C	.	.	H	α-helix	trans	-66.2	-43	175.1	-177.4	176.6	179	168.1	0	113	L300 D301 K302 S308 L356 T360 E362	L300-K304 WeakPolarHBondContact O-CB 3.4Å; L300-K304 PolarHBondContact O-N 2.97Å; D301-K304 PolarHBondContact O-N 3.17Å; K302-K304 VanDerWaalsContact C-N 3.29Å; K302-K304 PolarHBondContact O-N 2.82Å; K304-S308 VanDerWaalsContact O-CB 3.3Å; K304-S308 WeakPolarHBondContact O-CB 3.42Å; K304-S308 PolarHBondContact O-N 3.27Å; K304-S308 PolarHBondContact O-OG 3.07Å; K304-L356 HydrophobicContact CB-CD1 4.41Å; K304-T360 HydrophobicContact CB-CG2 4.19Å; K304-T360 HydrophobicContact CD-CG2 3.91Å; K304-T360 HydrophobicContact CG-CG2 4.09Å; K304-E362 WeakPolarHBondContact CE-OE1 3.31Å; K304-E362 IonicContact NZ-OE1 3.19Å; K304-E362 PolarHBondContact NZ-OE1 2.68Å
305	D	98.7	Very high	98.6	Very high	56 Å²	56	38.1 Å²	38.1	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-47.3	177.8	-171.3	20.7	0	0	0	111.2	F268 D301 K302 R309	F268-D305 HydrophobicContact CD2-CB 4.04Å; F268-D305 WeakPolarHBondContact CD2-OD2 3.48Å; F268-D305 HydrophobicContact CE2-CB 4.48Å; D301-D305 PolarHBondContact O-N 2.6Å; D301-D305 VanDerWaalsContact O-N 3.08Å; K302-D305 PolarHBondContact O-N 3.5Å; D305-R309 WeakPolarHBondContact O-CD 3.48Å; D305-R309 VanDerWaalsContact O-CG 3.3Å; D305-R309 WeakPolarHBondContact O-CG 3.3Å; D305-R309 PolarHBondContact O-N 3.08Å; D305-R309 IonicContact OD1-CZ 3.01Å; D305-R309 VanDerWaalsContact OD1-CZ 3.27Å; D305-R309 IonicContact OD1-NE 2.68Å; D305-R309 PolarHBondContact OD1-NE 3.2Å; D305-R309 IonicContact OD1-NH2 2.69Å; D305-R309 PolarHBondContact OD1-NH2 3.29Å; D305-R309 IonicContact OD2-NE 3.36Å; D305-R309 IonicContact OD2-NH2 2.62Å; D305-R309 PolarHBondContact OD2-NH2 2.92Å
306	V	98.7	Very high	98.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-67.5	-45.2	177.2	71.5	0	0	0	0	112	F268 I283 L284 L287 K302 A303 S308 R309 L310	F268-V306 HydrophobicContact CD1-CB 4.13Å; F268-V306 HydrophobicContact CD1-CG2 4.05Å; F268-V306 HydrophobicContact CD2-CB 4.1Å; F268-V306 HydrophobicContact CE1-CB 3.93Å; F268-V306 HydrophobicContact CE1-CG2 3.97Å; F268-V306 HydrophobicContact CE2-CB 3.89Å; F268-V306 HydrophobicContact CG-CB 4.21Å; F268-V306 HydrophobicContact CG-CG2 4.49Å; F268-V306 HydrophobicContact CZ-CB 3.81Å; F268-V306 HydrophobicContact CZ-CG1 4.35Å; F268-V306 HydrophobicContact CZ-CG2 4.34Å; I283-V306 HydrophobicContact CG2-CG1 4.38Å; I283-V306 HydrophobicContact CG2-CG2 4.35Å; L284-V306 HydrophobicContact CB-CG1 4.38Å; L284-V306 HydrophobicContact CD1-CG1 4.17Å; L287-V306 HydrophobicContact CD1-CG1 4.32Å; K302-V306 PolarHBondContact O-N 2.73Å; A303-V306 WeakPolarHBondContact O-CG1 3.49Å; V306-S308 VanDerWaalsContact C-N 3.31Å; V306-S308 PolarHBondContact O-N 3.4Å; V306-R309 WeakPolarHBondContact O-CB 3.16Å; V306-R309 PolarHBondContact O-N 2.88Å; V306-L310 HydrophobicContact CG2-CD1 4.41Å; V306-L310 HydrophobicContact CG2-CG 4.47Å; V306-L310 WeakPolarHBondContact O-CG 3.43Å; V306-L310 PolarHBondContact O-N 3.09Å; V306-L310 VanDerWaalsContact O-N 3.07Å
307	G	98.6	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-41.6	178	0	0	0	0	0	112.7	A303 R309 L310 M311	A303-G307 PolarHBondContact O-N 2.65Å; G307-R309 VanDerWaalsContact C-N 3.27Å; G307-R309 PolarHBondContact O-N 3.22Å; G307-L310 PolarHBondContact O-N 2.91Å; G307-M311 PolarHBondContact O-N 2.82Å
308	S	98.6	Very high	98.4	Very high	48 Å²	48	39 Å²	39	34%	0.336	20%	0.2	S	C	.	.	H	α-helix	trans	-58.1	-37.7	173.5	-60.8	0	0	0	0	112.8	K304 V306 Y365	K304-S308 VanDerWaalsContact O-CB 3.3Å; K304-S308 WeakPolarHBondContact O-CB 3.42Å; K304-S308 PolarHBondContact O-N 3.27Å; K304-S308 PolarHBondContact O-OG 3.07Å; V306-S308 VanDerWaalsContact C-N 3.31Å; V306-S308 PolarHBondContact O-N 3.4Å; S308-Y365 PolarHBondContact OG-OH 3.32Å
309	R	98.6	Very high	98.4	Very high	49 Å²	49	42.1 Å²	42.1	19%	0.185	21%	0.213	C	C	.	.	H	α-helix	trans	-80	-19	-178.7	-68.6	166.5	-169.2	-95.7	3.9	114	F268 N269 D305 V306 G307 P312 V325 I327	F268-R309 VanDerWaalsContact CB-CD 3.44Å; F268-R309 PolarHBondContact O-NH1 2.95Å; N269-R309 PolarHBondContact OD1-NH1 3.32Å; N269-R309 PolarHBondContact OD1-NH2 2.75Å; D305-R309 WeakPolarHBondContact O-CD 3.48Å; D305-R309 VanDerWaalsContact O-CG 3.3Å; D305-R309 WeakPolarHBondContact O-CG 3.3Å; D305-R309 PolarHBondContact O-N 3.08Å; D305-R309 IonicContact OD1-CZ 3.01Å; D305-R309 VanDerWaalsContact OD1-CZ 3.27Å; D305-R309 IonicContact OD1-NE 2.68Å; D305-R309 PolarHBondContact OD1-NE 3.2Å; D305-R309 IonicContact OD1-NH2 2.69Å; D305-R309 PolarHBondContact OD1-NH2 3.29Å; D305-R309 IonicContact OD2-NE 3.36Å; D305-R309 IonicContact OD2-NH2 2.62Å; D305-R309 PolarHBondContact OD2-NH2 2.92Å; V306-R309 WeakPolarHBondContact O-CB 3.16Å; V306-R309 PolarHBondContact O-N 2.88Å; G307-R309 VanDerWaalsContact C-N 3.27Å; G307-R309 PolarHBondContact O-N 3.22Å; R309-P312 VanDerWaalsContact O-CD 3.28Å; R309-P312 WeakPolarHBondContact O-CD 3.45Å; R309-V325 WeakPolarHBondContact O-CG2 3.47Å; R309-I327 HydrophobicContact CB-CB 3.98Å; R309-I327 HydrophobicContact CB-CG2 4.01Å; R309-I327 WeakPolarHBondContact CD-O 3.41Å; R309-I327 PolarHBondContact NH1-O 3.15Å
310	L	98.8	Very high	98.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-81.8	-26.6	174.1	-65.5	177.1	0	0	0	112.4	V274 L276 V306 G307 P312 A313 V325 I327 F353	V274-L310 HydrophobicContact CG2-CD2 3.91Å; L276-L310 HydrophobicContact CD1-CB 3.79Å; L276-L310 HydrophobicContact CD1-CD1 4.28Å; L276-L310 HydrophobicContact CD1-CD2 4.14Å; L276-L310 HydrophobicContact CD1-CG 4.28Å; V306-L310 HydrophobicContact CG2-CD1 4.41Å; V306-L310 HydrophobicContact CG2-CG 4.47Å; V306-L310 WeakPolarHBondContact O-CG 3.43Å; V306-L310 PolarHBondContact O-N 3.09Å; V306-L310 VanDerWaalsContact O-N 3.07Å; G307-L310 PolarHBondContact O-N 2.91Å; L310-P312 VanDerWaalsContact C-N 3.32Å; L310-P312 WeakPolarHBondContact O-CD 3.01Å; L310-P312 VanDerWaalsContact O-N 3.11Å; L310-A313 VanDerWaalsContact O-CB 3.24Å; L310-A313 WeakPolarHBondContact O-CB 3.38Å; L310-A313 PolarHBondContact O-N 2.98Å; L310-V325 HydrophobicContact CD2-CG1 3.55Å; L310-I327 HydrophobicContact CD2-CG2 4.35Å; L310-F353 HydrophobicContact CB-CZ 3.92Å; L310-F353 HydrophobicContact CD1-CE2 4.39Å; L310-F353 HydrophobicContact CD1-CZ 4.22Å
311	M	98.8	Very high	98.4	Very high	42 Å²	42	40.9 Å²	40.9	21%	0.207	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-48.9	-35.1	179.8	-72.3	-55.1	-68.6	0	0	116.6	G307 A313 F314 F353 Q364 Y365 A368	G307-M311 PolarHBondContact O-N 2.82Å; M311-A313 PolarHBondContact O-N 3.24Å; M311-A313 VanDerWaalsContact O-N 3.13Å; M311-F314 PolarHBondContact O-N 3.26Å; M311-F314 HydrophobicContact SD-CD2 4.38Å; M311-F314 HydrophobicContact SD-CE2 4.42Å; M311-F353 HydrophobicContact SD-CD1 4.23Å; M311-F353 HydrophobicContact SD-CE1 3.75Å; M311-Q364 HydrophobicContact CE-CB 4.28Å; M311-Q364 HydrophobicContact CE-CG 4.35Å; M311-Q364 WeakPolarHBondContact CE-O 3.42Å; M311-Y365 HydrophobicContact CG-CD1 3.92Å; M311-Y365 HydrophobicContact CG-CE1 3.77Å; M311-Y365 HydrophobicContact SD-CD1 3.56Å; M311-Y365 VanDerWaalsContact SD-CD1 3.56Å; M311-Y365 HydrophobicContact SD-CE1 4.07Å; M311-A368 HydrophobicContact CE-CB 3.9Å
312	P	98.6	Very high	98.4	Very high	37 Å²	37	38.2 Å²	38.2	24%	0.24	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.7	-20.1	175.6	-26.2	36.9	0	0	0	114.9	R309 L310 F314 N315 V325 G330	R309-P312 VanDerWaalsContact O-CD 3.28Å; R309-P312 WeakPolarHBondContact O-CD 3.45Å; L310-P312 VanDerWaalsContact C-N 3.32Å; L310-P312 WeakPolarHBondContact O-CD 3.01Å; L310-P312 VanDerWaalsContact O-N 3.11Å; P312-F314 PolarHBondContact O-N 3.03Å; P312-N315 WeakPolarHBondContact O-CB 3.33Å; P312-N315 PolarHBondContact O-N 2.98Å; P312-N315 VanDerWaalsContact O-N 3.15Å; P312-V325 HydrophobicContact CB-CG2 4.14Å; P312-G330 VanDerWaalsContact CB-O 3.32Å; P312-G330 WeakPolarHBondContact CB-O 3.39Å
313	A	98.6	Very high	98.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.9	-33.5	176	0	0	0	0	0	113	L276 L310 M311 N315 P321 Y322 V325 A332	L276-A313 HydrophobicContact CD1-CB 4.14Å; L276-A313 HydrophobicContact CD2-CB 3.82Å; L276-A313 HydrophobicContact CG-CB 4.39Å; L310-A313 VanDerWaalsContact O-CB 3.24Å; L310-A313 WeakPolarHBondContact O-CB 3.38Å; L310-A313 PolarHBondContact O-N 2.98Å; M311-A313 PolarHBondContact O-N 3.24Å; M311-A313 VanDerWaalsContact O-N 3.13Å; A313-N315 PolarHBondContact O-N 3.47Å; A313-P321 HydrophobicContact CB-CB 4.16Å; A313-P321 CarbonylContact O-C 3.53Å; A313-P321 VanDerWaalsContact O-CA 3.22Å; A313-P321 WeakPolarHBondContact O-CA 3.43Å; A313-P321 WeakPolarHBondContact O-CB 3.46Å; A313-Y322 PolarHBondContact O-N 2.83Å; A313-V325 HydrophobicContact CB-CB 4.12Å; A313-V325 HydrophobicContact CB-CG1 4.38Å; A313-A332 HydrophobicContact CB-CB 4.43Å
314	F	98.6	Very high	98.3	Very high	14 Å²	14	38.6 Å²	38.6	6%	0.061	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-78.6	-2.4	179.5	-59.2	-91.8	0	0	0	113.6	L276 M311 P312 T316 P321 I349 F353 A368 V369 V372	L276-F314 HydrophobicContact CD1-CE2 4.5Å; L276-F314 HydrophobicContact CD2-CE2 4.4Å; L276-F314 HydrophobicContact CD2-CZ 4.28Å; M311-F314 PolarHBondContact O-N 3.26Å; M311-F314 HydrophobicContact SD-CD2 4.38Å; M311-F314 HydrophobicContact SD-CE2 4.42Å; P312-F314 PolarHBondContact O-N 3.03Å; F314-T316 PolarHBondContact O-N 3.32Å; F314-P321 HydrophobicContact CD1-CB 3.77Å; F314-P321 HydrophobicContact CD1-CG 3.9Å; F314-P321 HydrophobicContact CE1-CB 4.05Å; F314-P321 HydrophobicContact CE1-CG 3.79Å; F314-P321 HydrophobicContact CG-CB 4.07Å; F314-P321 HydrophobicContact CZ-CG 4.45Å; F314-I349 HydrophobicContact CE1-CD1 4.04Å; F314-I349 HydrophobicContact CZ-CD1 3.74Å; F314-F353 HydrophobicContact CE2-CD1 4.38Å; F314-F353 AromaticContact CE2-CE1 3.71Å; F314-F353 HydrophobicContact CE2-CE1 3.71Å; F314-F353 HydrophobicContact CE2-CZ 4.06Å; F314-F353 HydrophobicContact CZ-CD1 4.42Å; F314-F353 HydrophobicContact CZ-CE1 4.11Å; F314-F353 HydrophobicContact CZ-CZ 4.4Å; F314-A368 HydrophobicContact CB-CB 4.48Å; F314-A368 HydrophobicContact CD1-CB 3.84Å; F314-A368 HydrophobicContact CD2-CB 4.23Å; F314-A368 HydrophobicContact CE1-CB 4.04Å; F314-A368 HydrophobicContact CE2-CB 4.43Å; F314-A368 HydrophobicContact CG-CB 3.93Å; F314-A368 HydrophobicContact CZ-CB 4.33Å; F314-V369 HydrophobicContact CE1-CG1 3.97Å; F314-V369 HydrophobicContact CZ-CG1 3.72Å; F314-V372 HydrophobicContact CD1-CG2 4.37Å; F314-V372 HydrophobicContact CE1-CG2 4.2Å
315	N	97.3	Very high	98.2	Very high	125 Å²	125	35.2 Å²	35.2	67%	0.668	18%	0.178	S	C	*	.			trans	-80.3	59	-180	-167.1	23.7	0	0	0	112.4	P312 A313	P312-N315 WeakPolarHBondContact O-CB 3.33Å; P312-N315 PolarHBondContact O-N 2.98Å; P312-N315 VanDerWaalsContact O-N 3.15Å; A313-N315 PolarHBondContact O-N 3.47Å
316	T	97.9	Very high	98.2	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.043	16%	0.164	C	C	.	.	S	Bend	trans	-110.9	170.9	177.5	73.5	0	0	0	0	110.8	F314 K319 I320 Y322 T393	F314-T316 PolarHBondContact O-N 3.32Å; T316-K319 PolarHBondContact O-NZ 3.37Å; T316-K319 WeakPolarHBondContact OG1-CA 3.04Å; T316-K319 PolarHBondContact OG1-N 3.32Å; T316-I320 WeakPolarHBondContact CB-O 3.17Å; T316-I320 WeakPolarHBondContact CG2-O 3.41Å; T316-I320 PolarHBondContact OG1-O 3.23Å; T316-Y322 HydrophobicContact CG2-CD1 4Å; T316-Y322 HydrophobicContact CG2-CD2 3.71Å; T316-Y322 HydrophobicContact CG2-CE1 3.98Å; T316-Y322 HydrophobicContact CG2-CE2 3.7Å; T316-Y322 HydrophobicContact CG2-CG 3.87Å; T316-T393 PolarHBondContact OG1-O 2.92Å
317	Q	96.3	Very high	98.1	Very high	159 Å²	159	32.6 Å²	32.6	74%	0.743	16%	0.164	S	C	*	.	S	Bend	trans	-67.1	-39.8	177.4	-177.2	63.2	32.7	0	0	111.4
318	S	97.3	Very high	98	Very high	15 Å²	15	34.3 Å²	34.3	11%	0.105	18%	0.181	C	C	.	.	S	Bend	trans	-86.6	-19.6	179.3	64.3	0	0	0	0	114.2	I320 Q375 T393	S318-I320 WeakPolarHBondContact OG-CB 3.35Å; S318-I320 WeakPolarHBondContact OG-CG1 3.35Å; S318-I320 PolarHBondContact OG-N 3.33Å; S318-Q375 PolarHBondContact O-NE2 2.97Å; S318-Q375 PolarHBondContact O-OE1 3.43Å; S318-Q375 VanDerWaalsContact O-OE1 3.13Å; S318-T393 WeakPolarHBondContact CB-O 3.08Å; S318-T393 PolarHBondContact N-O 3.13Å; S318-T393 VanDerWaalsContact OG-C 3.25Å; S318-T393 PolarHBondContact OG-O 3.15Å
319	K	97.6	Very high	97.8	Very high	94 Å²	94	38.1 Å²	38.1	41%	0.409	19%	0.192	S	C	.	.	S	Bend	trans	75.8	-6.1	-165.4	-46.9	-56	169	-154.8	0	115.7	T316 P321 E371	T316-K319 PolarHBondContact O-NZ 3.37Å; T316-K319 WeakPolarHBondContact OG1-CA 3.04Å; T316-K319 PolarHBondContact OG1-N 3.32Å; K319-P321 WeakPolarHBondContact O-CD 3.32Å; K319-E371 HydrophobicContact CB-CG 4.04Å; K319-E371 HydrophobicContact CG-CG 4.45Å
320	I	98.6	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-64	120.6	158.9	-54.2	-57	0	0	0	107.9	T316 S318 V346 V372 Q375 I391	T316-I320 WeakPolarHBondContact CB-O 3.17Å; T316-I320 WeakPolarHBondContact CG2-O 3.41Å; T316-I320 PolarHBondContact OG1-O 3.23Å; S318-I320 WeakPolarHBondContact OG-CB 3.35Å; S318-I320 WeakPolarHBondContact OG-CG1 3.35Å; S318-I320 PolarHBondContact OG-N 3.33Å; I320-V346 HydrophobicContact CG2-CB 4.43Å; I320-V346 HydrophobicContact CG2-CG1 4.15Å; I320-V346 HydrophobicContact CG2-CG2 4.17Å; I320-V372 HydrophobicContact CD1-CB 4.5Å; I320-V372 HydrophobicContact CD1-CG1 3.97Å; I320-Q375 HydrophobicContact CD1-CB 4.21Å; I320-I391 HydrophobicContact CD1-CD1 3.7Å; I320-I391 HydrophobicContact CG1-CD1 3.76Å; I320-I391 HydrophobicContact CG1-CG1 4.21Å; I320-I391 HydrophobicContact CG2-CD1 4.19Å; I320-I391 HydrophobicContact CG2-CG1 4.19Å; I320-I391 HydrophobicContact CG2-CG2 3.86Å
321	P	98.7	Very high	97.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-71.1	155.6	-172	27.3	-34.6	0	0	0	112.7	L276 A313 F314 K319 S341 V346 I349 V372 T393	L276-P321 HydrophobicContact CD2-CB 3.57Å; L276-P321 HydrophobicContact CD2-CG 3.69Å; A313-P321 HydrophobicContact CB-CB 4.16Å; A313-P321 CarbonylContact O-C 3.53Å; A313-P321 VanDerWaalsContact O-CA 3.22Å; A313-P321 WeakPolarHBondContact O-CA 3.43Å; A313-P321 WeakPolarHBondContact O-CB 3.46Å; F314-P321 HydrophobicContact CD1-CB 3.77Å; F314-P321 HydrophobicContact CD1-CG 3.9Å; F314-P321 HydrophobicContact CE1-CB 4.05Å; F314-P321 HydrophobicContact CE1-CG 3.79Å; F314-P321 HydrophobicContact CG-CB 4.07Å; F314-P321 HydrophobicContact CZ-CG 4.45Å; K319-P321 WeakPolarHBondContact O-CD 3.32Å; P321-S341 PolarHBondContact O-OG 3.42Å; P321-V346 HydrophobicContact CG-CB 4Å; P321-V346 HydrophobicContact CG-CG1 3.79Å; P321-I349 HydrophobicContact CG-CD1 4.38Å; P321-V372 HydrophobicContact CG-CG2 4.47Å; P321-T393 WeakPolarHBondContact O-CG2 3.29Å
322	Y	98.8	Very high	97.6	Very high	47 Å²	47	40.3 Å²	40.3	18%	0.184	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.7	154.4	165.4	-67.9	-51.1	0	0	0	111.8	A313 T316 A332 P334 T393	A313-Y322 PolarHBondContact O-N 2.83Å; T316-Y322 HydrophobicContact CG2-CD1 4Å; T316-Y322 HydrophobicContact CG2-CD2 3.71Å; T316-Y322 HydrophobicContact CG2-CE1 3.98Å; T316-Y322 HydrophobicContact CG2-CE2 3.7Å; T316-Y322 HydrophobicContact CG2-CG 3.87Å; Y322-A332 HydrophobicContact CD2-CB 3.82Å; Y322-P334 HydrophobicContact CD1-CB 3.81Å; Y322-P334 VanDerWaalsContact CD1-CD 3.49Å; Y322-P334 HydrophobicContact CD1-CG 3.99Å; Y322-P334 HydrophobicContact CE1-CB 4.18Å; Y322-P334 VanDerWaalsContact CE1-CD 3.49Å; Y322-P334 HydrophobicContact CE1-CG 3.9Å; Y322-T393 HydrophobicContact CD1-CG2 3.88Å; Y322-T393 HydrophobicContact CE1-CG2 4.32Å; Y322-T393 VanDerWaalsContact CE1-OG1 3.22Å; Y322-T393 WeakPolarHBondContact CE1-OG1 3.36Å
323	S	97.6	Very high	97.5	Very high	7 Å²	7	42 Å²	42	5%	0.049	23%	0.228	C	C	.	.	S	Bend	trans	-62.5	-40.9	174.1	51.9	0	0	0	0	112.9	N275 L276 P335	N275-S323 CarbonylContact C-O 3.59Å; N275-S323 WeakPolarHBondContact CA-O 3.35Å; N275-S323 PolarHBondContact ND2-O 2.98Å; L276-S323 PolarHBondContact N-O 3.09Å; S323-P335 WeakPolarHBondContact OG-CD 3.05Å; S323-P335 WeakPolarHBondContact OG-CG 3.4Å
324	D	98.1	Very high	97.5	Very high	37 Å²	37	43.3 Å²	43.3	20%	0.198	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.9	-168.2	-53.9	-82.9	0	0	0	112.4	V274 A332 H333	V274-D324 WeakPolarHBondContact O-CA 3.46Å; D324-A332 CarbonylContact O-C 3.6Å; D324-A332 VanDerWaalsContact O-CA 3.24Å; D324-A332 WeakPolarHBondContact O-CA 3.38Å; D324-A332 WeakPolarHBondContact O-CB 3.38Å; D324-H333 PolarHBondContact N-O 3.42Å; D324-H333 PolarHBondContact O-N 2.82Å
325	V	98.2	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.8	178.8	58.2	0	0	0	0	111.7	V274 R309 L310 P312 A313 A332	V274-V325 HydrophobicContact CG2-CG1 3.91Å; V274-V325 WeakPolarHBondContact CG2-O 3.46Å; V274-V325 PolarHBondContact N-O 2.64Å; V274-V325 PolarHBondContact O-N 2.98Å; R309-V325 WeakPolarHBondContact O-CG2 3.47Å; L310-V325 HydrophobicContact CD2-CG1 3.55Å; P312-V325 HydrophobicContact CB-CG2 4.14Å; A313-V325 HydrophobicContact CB-CB 4.12Å; A313-V325 HydrophobicContact CB-CG1 4.38Å; V325-A332 HydrophobicContact CB-CB 4.02Å; V325-A332 HydrophobicContact CG2-CB 4.09Å
326	N	98.3	Very high	97.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	104.5	177.5	-166.5	-71.6	0	0	0	110.9	N271 V272 D273 G328 K329 G330 T331	N271-N326 PolarHBondContact OD1-ND2 2.97Å; N271-N326 PolarHBondContact OD1-OD1 3.12Å; V272-N326 VanDerWaalsContact O-CA 3.3Å; V272-N326 WeakPolarHBondContact O-CA 3.25Å; V272-N326 PolarHBondContact O-ND2 3.4Å; D273-N326 VanDerWaalsContact OD1-CB 3.29Å; D273-N326 WeakPolarHBondContact OD1-CB 3.45Å; D273-N326 PolarHBondContact OD1-ND2 3.3Å; N326-G328 PolarHBondContact O-N 3.23Å; N326-G328 PolarHBondContact OD1-N 3.27Å; N326-K329 HydrophobicContact CB-CB 4.18Å; N326-K329 PolarHBondContact O-N 2.85Å; N326-K329 WeakPolarHBondContact OD1-CB 3.46Å; N326-K329 WeakPolarHBondContact OD1-CG 3.46Å; N326-K329 PolarHBondContact OD1-N 3.26Å; N326-G330 WeakPolarHBondContact O-CA 3.24Å; N326-G330 PolarHBondContact O-N 2.87Å; N326-T331 WeakPolarHBondContact CB-O 3.29Å; N326-T331 PolarHBondContact N-O 3.22Å
327	I	96.7	Very high	96.8	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.015	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.2	-174.4	59.5	173.6	0	0	0	114.5	L235 F268 V272 V274 R309 L310	L235-I327 HydrophobicContact CD1-CD1 3.83Å; L235-I327 HydrophobicContact CD2-CD1 4.24Å; F268-I327 HydrophobicContact CB-CD1 4.31Å; F268-I327 HydrophobicContact CD1-CD1 4.43Å; V272-I327 HydrophobicContact CG1-CD1 3.88Å; V272-I327 HydrophobicContact CG1-CG1 3.88Å; V272-I327 PolarHBondContact O-N 3.01Å; V274-I327 HydrophobicContact CG1-CD1 4.15Å; V274-I327 HydrophobicContact CG1-CG1 4.31Å; V274-I327 HydrophobicContact CG1-CG2 4.28Å; V274-I327 HydrophobicContact CG2-CG2 3.64Å; R309-I327 HydrophobicContact CB-CB 3.98Å; R309-I327 HydrophobicContact CB-CG2 4.01Å; R309-I327 WeakPolarHBondContact CD-O 3.41Å; R309-I327 PolarHBondContact NH1-O 3.15Å; L310-I327 HydrophobicContact CD2-CG2 4.35Å
328	G	95.5	Very high	96.8	Very high	35 Å²	35	54.2 Å²	54.2	36%	0.361	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-29.8	176.1	0	0	0	0	0	114.2	K270 N326	K270-G328 WeakPolarHBondContact O-CA 3.31Å; K270-G328 PolarHBondContact O-N 2.83Å; N326-G328 PolarHBondContact O-N 3.23Å; N326-G328 PolarHBondContact OD1-N 3.27Å
329	K	95.4	Very high	96.7	Very high	129 Å²	129	55.3 Å²	55.3	56%	0.561	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-20.4	-178.2	-68.7	176.4	-179.7	133.2	0	114.7	N271 N326 T331	N271-K329 WeakPolarHBondContact OD1-CE 3.38Å; N271-K329 PolarHBondContact OD1-NZ 2.9Å; N326-K329 HydrophobicContact CB-CB 4.18Å; N326-K329 PolarHBondContact O-N 2.85Å; N326-K329 WeakPolarHBondContact OD1-CB 3.46Å; N326-K329 WeakPolarHBondContact OD1-CG 3.46Å; N326-K329 PolarHBondContact OD1-N 3.26Å; K329-T331 VanDerWaalsContact C-N 3.34Å; K329-T331 HydrophobicContact CB-CG2 4.22Å
330	G	95.3	Very high	96.7	Very high	37 Å²	37	51.5 Å²	51.5	38%	0.381	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	27.6	-171.1	0	0	0	0	0	114.1	P312 N326	P312-G330 VanDerWaalsContact CB-O 3.32Å; P312-G330 WeakPolarHBondContact CB-O 3.39Å; N326-G330 WeakPolarHBondContact O-CA 3.24Å; N326-G330 PolarHBondContact O-N 2.87Å
331	T	97.4	Very high	96.7	Very high	74 Å²	74	51.6 Å²	51.6	45%	0.454	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.2	177.8	55.2	0	0	0	0	110.6	N326 K329	N326-T331 WeakPolarHBondContact CB-O 3.29Å; N326-T331 PolarHBondContact N-O 3.22Å; K329-T331 VanDerWaalsContact C-N 3.34Å; K329-T331 HydrophobicContact CB-CG2 4.22Å
332	A	98.1	Very high	96.7	Very high	26 Å²	26	52 Å²	52	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.8	178.5	0	0	0	0	0	112.5	A313 Y322 D324 V325	A313-A332 HydrophobicContact CB-CB 4.43Å; Y322-A332 HydrophobicContact CD2-CB 3.82Å; D324-A332 CarbonylContact O-C 3.6Å; D324-A332 VanDerWaalsContact O-CA 3.24Å; D324-A332 WeakPolarHBondContact O-CA 3.38Å; D324-A332 WeakPolarHBondContact O-CB 3.38Å; V325-A332 HydrophobicContact CB-CB 4.02Å; V325-A332 HydrophobicContact CG2-CB 4.09Å
333	H	97.9	Very high	96.7	Very high	71 Å²	71	49.7 Å²	49.7	33%	0.329	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	154.6	-179.4	64.2	62.2	0	0	0	112.7	D273 D324	D273-H333 IonicContact OD2-NE2 3.68Å; D324-H333 PolarHBondContact N-O 3.42Å; D324-H333 PolarHBondContact O-N 2.82Å
334	P	97.2	Very high	96.7	Very high	29 Å²	29	49.5 Å²	49.5	19%	0.188	25%	0.253	C	S	.	.			trans	-77	175.6	170.2	34.6	-32.3	0	0	0	110.6	Y322	Y322-P334 HydrophobicContact CD1-CB 3.81Å; Y322-P334 VanDerWaalsContact CD1-CD 3.49Å; Y322-P334 HydrophobicContact CD1-CG 3.99Å; Y322-P334 HydrophobicContact CE1-CB 4.18Å; Y322-P334 VanDerWaalsContact CE1-CD 3.49Å; Y322-P334 HydrophobicContact CE1-CG 3.9Å
335	P	94.6	Very high	96.8	Very high	21 Å²	21	49.5 Å²	49.5	14%	0.136	25%	0.251	C	S	.	.			trans	-65.4	144.9	174.5	-16.8	32.2	0	0	0	110.7	S323 W337 T338	S323-P335 WeakPolarHBondContact OG-CD 3.05Å; S323-P335 WeakPolarHBondContact OG-CG 3.4Å; P335-W337 HydrophobicContact CB-CD2 3.92Å; P335-W337 HydrophobicContact CB-CE3 4.09Å; P335-W337 HydrophobicContact CB-CH2 3.66Å; P335-W337 HydrophobicContact CB-CZ2 3.44Å; P335-W337 VanDerWaalsContact CB-CZ2 3.44Å; P335-W337 HydrophobicContact CB-CZ3 3.98Å; P335-W337 HydrophobicContact CG-CZ2 4.22Å; P335-W337 PolarHBondContact O-N 3.35Å; P335-T338 HydrophobicContact CB-CG2 4.31Å; P335-T338 HydrophobicContact CG-CG2 4.19Å; P335-T338 PolarHBondContact O-N 3.39Å
336	R	94.1	Very high	96.8	Very high	248 Å²	248	49.6 Å²	49.6	94%	0.936	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-13.9	-170.4	-64.8	-175.1	-176.4	172.9	4.2	116.5
337	W	92.2	Very high	96.8	Very high	220 Å²	220	49.6 Å²	49.6	83%	0.833	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-4.5	-177	58.7	84	0	0	0	114	P335	P335-W337 HydrophobicContact CB-CD2 3.92Å; P335-W337 HydrophobicContact CB-CE3 4.09Å; P335-W337 HydrophobicContact CB-CH2 3.66Å; P335-W337 HydrophobicContact CB-CZ2 3.44Å; P335-W337 VanDerWaalsContact CB-CZ2 3.44Å; P335-W337 HydrophobicContact CB-CZ3 3.98Å; P335-W337 HydrophobicContact CG-CZ2 4.22Å; P335-W337 PolarHBondContact O-N 3.35Å
338	T	95.6	Very high	96.9	Very high	45 Å²	45	49.4 Å²	49.4	28%	0.276	25%	0.251	S	S	.	.			trans	-151.3	174.3	-178.2	-170.7	0	0	0	0	112	P335 D340	P335-T338 HydrophobicContact CB-CG2 4.31Å; P335-T338 HydrophobicContact CG-CG2 4.19Å; P335-T338 PolarHBondContact O-N 3.39Å; T338-D340 HydrophobicContact CG2-CB 4.23Å; T338-D340 WeakPolarHBondContact CG2-O 3.24Å; T338-D340 WeakPolarHBondContact OG1-CB 3.48Å; T338-D340 PolarHBondContact OG1-N 3.05Å; T338-D340 VanDerWaalsContact OG1-N 3.1Å
339	S	95.2	Very high	97.1	Very high	37 Å²	37	47.8 Å²	47.8	26%	0.259	23%	0.234	S	C	.	.	S	Bend	trans	-118.2	21.2	163.4	55.4	0	0	0	0	111.5	N392 T393 N394	S339-N392 PolarHBondContact O-ND2 3.43Å; S339-N392 PolarHBondContact OG-ND2 3.33Å; S339-T393 PolarHBondContact O-N 3.13Å; S339-T393 PolarHBondContact O-OG1 2.88Å; S339-N394 VanDerWaalsContact CB-ND2 3.34Å; S339-N394 WeakPolarHBondContact CB-ND2 3.28Å; S339-N394 PolarHBondContact OG-ND2 3.24Å
340	D	97.6	Very high	97.3	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.08	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.9	177.1	-58.4	-9.7	0	0	0	110	T338 F390 I391 N392 T399	T338-D340 HydrophobicContact CG2-CB 4.23Å; T338-D340 WeakPolarHBondContact CG2-O 3.24Å; T338-D340 WeakPolarHBondContact OG1-CB 3.48Å; T338-D340 PolarHBondContact OG1-N 3.05Å; T338-D340 VanDerWaalsContact OG1-N 3.1Å; D340-F390 HydrophobicContact CB-CB 4.28Å; D340-F390 HydrophobicContact CB-CD1 4.37Å; D340-I391 CarbonylContact C-O 3.51Å; D340-I391 WeakPolarHBondContact CA-O 3.29Å; D340-N392 WeakPolarHBondContact OD1-CA 3.5Å; D340-N392 WeakPolarHBondContact OD1-CB 3.28Å; D340-N392 PolarHBondContact OD1-ND2 2.65Å; D340-T399 VanDerWaalsContact CG-OG1 3.32Å; D340-T399 WeakPolarHBondContact OD2-CB 3.32Å; D340-T399 WeakPolarHBondContact OD2-CG2 3.41Å; D340-T399 PolarHBondContact OD2-OG1 2.92Å
341	S	98.3	Very high	97.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	156.8	163.2	-65.3	0	0	0	0	109.3	P321 F390 I391 T393	P321-S341 PolarHBondContact O-OG 3.42Å; S341-F390 WeakPolarHBondContact O-CA 3.48Å; S341-I391 PolarHBondContact N-O 3Å; S341-I391 PolarHBondContact O-N 3.33Å; S341-T393 VanDerWaalsContact OG-CG2 3.23Å; S341-T393 WeakPolarHBondContact OG-CG2 3.36Å
342	T	98.6	Very high	97.5	Very high	8 Å²	8	36.3 Å²	36.3	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	141.9	171.8	-61.5	0	0	0	0	110.3	A344 E345 V346 R409	T342-A344 HydrophobicContact CG2-CB 4.34Å; T342-E345 VanDerWaalsContact CB-CD 3.5Å; T342-E345 WeakPolarHBondContact CB-OE1 3.1Å; T342-E345 HydrophobicContact CG2-CB 4.33Å; T342-E345 HydrophobicContact CG2-CG 3.91Å; T342-E345 PolarHBondContact O-N 2.97Å; T342-E345 PolarHBondContact OG1-OE1 2.61Å; T342-V346 PolarHBondContact O-N 2.97Å; T342-R409 VanDerWaalsContact CG2-CA 3.48Å; T342-R409 HydrophobicContact CG2-CB 3.52Å; T342-R409 HydrophobicContact CG2-CG 3.72Å; T342-R409 PolarHBondContact OG1-NH1 3.06Å
343	V	98.7	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-47.1	-177.4	170.3	0	0	0	0	112.2	E345 V346 T347 V387 P388 M389 I391 F398	V343-E345 VanDerWaalsContact C-N 3.34Å; V343-E345 PolarHBondContact O-N 3.3Å; V343-V346 WeakPolarHBondContact O-CG2 3.5Å; V343-V346 PolarHBondContact O-N 3.42Å; V343-T347 WeakPolarHBondContact O-CB 3.48Å; V343-T347 PolarHBondContact O-N 3.35Å; V343-T347 VanDerWaalsContact O-N 3.13Å; V343-T347 PolarHBondContact O-OG1 3.46Å; V343-V387 HydrophobicContact CG1-CB 4.25Å; V343-V387 HydrophobicContact CG1-CG2 3.86Å; V343-P388 VanDerWaalsContact CG2-O 3.27Å; V343-P388 WeakPolarHBondContact CG2-O 3.48Å; V343-M389 PolarHBondContact N-O 2.88Å; V343-I391 HydrophobicContact CG2-CB 3.92Å; V343-I391 HydrophobicContact CG2-CG2 3.79Å; V343-F398 HydrophobicContact CG1-CE1 4.27Å; V343-F398 HydrophobicContact CG2-CD1 3.86Å; V343-F398 HydrophobicContact CG2-CE1 3.68Å
344	A	98.6	Very high	97.6	Very high	3 Å²	3	32 Å²	32	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-54.6	-48.2	172.7	0	0	0	0	0	111.8	T342 V346 T347 S348 R409	T342-A344 HydrophobicContact CG2-CB 4.34Å; A344-V346 VanDerWaalsContact C-N 3.28Å; A344-V346 PolarHBondContact O-N 3.45Å; A344-T347 CarbonylContact O-C 3.6Å; A344-T347 PolarHBondContact O-N 3.12Å; A344-T347 VanDerWaalsContact O-N 3.09Å; A344-S348 WeakPolarHBondContact O-CB 3.31Å; A344-S348 PolarHBondContact O-N 3.23Å; A344-S348 PolarHBondContact O-OG 2.84Å; A344-R409 VanDerWaalsContact CB-C 3.41Å; A344-R409 WeakPolarHBondContact CB-O 3.49Å; A344-R409 PolarHBondContact N-O 3.38Å
345	E	98.8	Very high	97.7	Very high	36 Å²	36	30.7 Å²	30.7	17%	0.168	13%	0.134	C	C	.	.	H	α-helix	trans	-55	-38.3	-179.1	-69.7	176.7	-125.9	0	0	113.3	N275 F277 T342 V343 I349	N275-E345 PolarHBondContact ND2-OE2 3.09Å; F277-E345 HydrophobicContact CB-CB 3.65Å; F277-E345 HydrophobicContact CB-CG 3.76Å; F277-E345 HydrophobicContact CD1-CG 3.85Å; F277-E345 HydrophobicContact CG-CB 4.07Å; F277-E345 HydrophobicContact CG-CG 3.91Å; T342-E345 VanDerWaalsContact CB-CD 3.5Å; T342-E345 WeakPolarHBondContact CB-OE1 3.1Å; T342-E345 HydrophobicContact CG2-CB 4.33Å; T342-E345 HydrophobicContact CG2-CG 3.91Å; T342-E345 PolarHBondContact O-N 2.97Å; T342-E345 PolarHBondContact OG1-OE1 2.61Å; V343-E345 VanDerWaalsContact C-N 3.34Å; V343-E345 PolarHBondContact O-N 3.3Å; E345-I349 WeakPolarHBondContact O-CG2 3.48Å
346	V	98.8	Very high	97.9	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-89.3	-14.2	-178.6	-51.5	0	0	0	0	114	I320 P321 T342 V343 A344 Q350 V372 I391	I320-V346 HydrophobicContact CG2-CB 4.43Å; I320-V346 HydrophobicContact CG2-CG1 4.15Å; I320-V346 HydrophobicContact CG2-CG2 4.17Å; P321-V346 HydrophobicContact CG-CB 4Å; P321-V346 HydrophobicContact CG-CG1 3.79Å; T342-V346 PolarHBondContact O-N 2.97Å; V343-V346 WeakPolarHBondContact O-CG2 3.5Å; V343-V346 PolarHBondContact O-N 3.42Å; A344-V346 VanDerWaalsContact C-N 3.28Å; A344-V346 PolarHBondContact O-N 3.45Å; V346-Q350 PolarHBondContact O-NE2 3.35Å; V346-V372 HydrophobicContact CB-CG1 4.2Å; V346-V372 HydrophobicContact CG2-CG1 4.02Å; V346-V372 WeakPolarHBondContact O-CG1 3.19Å; V346-I391 HydrophobicContact CG2-CG2 3.95Å
347	T	98.9	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-111.8	6.9	-178	57.2	0	0	0	0	114.2	V343 A344 Q350 V372 M373 V376 Y413 Y416	V343-T347 WeakPolarHBondContact O-CB 3.48Å; V343-T347 PolarHBondContact O-N 3.35Å; V343-T347 VanDerWaalsContact O-N 3.13Å; V343-T347 PolarHBondContact O-OG1 3.46Å; A344-T347 CarbonylContact O-C 3.6Å; A344-T347 PolarHBondContact O-N 3.12Å; A344-T347 VanDerWaalsContact O-N 3.09Å; T347-Q350 PolarHBondContact O-OE1 2.9Å; T347-V372 HydrophobicContact CG2-CG1 4.38Å; T347-M373 HydrophobicContact CG2-SD 3.98Å; T347-V376 HydrophobicContact CG2-CB 4.5Å; T347-V376 HydrophobicContact CG2-CG1 4.35Å; T347-V376 HydrophobicContact CG2-CG2 3.97Å; T347-Y413 HydrophobicContact CG2-CD2 3.87Å; T347-Y413 HydrophobicContact CG2-CE2 4.44Å; T347-Y413 VanDerWaalsContact OG1-CB 3.32Å; T347-Y413 WeakPolarHBondContact OG1-CB 3.2Å; T347-Y413 WeakPolarHBondContact OG1-CD2 3.35Å; T347-Y416 VanDerWaalsContact O-CB 3.28Å; T347-Y416 WeakPolarHBondContact O-CB 3.4Å
348	S	98.9	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-124.7	37	-179.2	-45.5	0	0	0	0	112.1	I281 A344 S412 Y416	I281-S348 VanDerWaalsContact CG2-O 3.25Å; I281-S348 WeakPolarHBondContact CG2-O 3.4Å; A344-S348 WeakPolarHBondContact O-CB 3.31Å; A344-S348 PolarHBondContact O-N 3.23Å; A344-S348 PolarHBondContact O-OG 2.84Å; S348-S412 VanDerWaalsContact OG-CB 3.28Å; S348-S412 WeakPolarHBondContact OG-CB 3.43Å; S348-S412 PolarHBondContact OG-O 3.33Å; S348-S412 PolarHBondContact OG-OG 3.18Å; S348-Y416 VanDerWaalsContact CA-CD1 3.41Å; S348-Y416 WeakPolarHBondContact O-CE1 3.48Å
349	I	98.9	Very high	98.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-129.4	2.2	-179.7	57.9	177.1	0	0	0	112.2	L276 F277 T280 F314 P321 E345 E352 F353 V369	L276-I349 HydrophobicContact CD2-CD1 3.84Å; L276-I349 HydrophobicContact CG-CD1 4.35Å; F277-I349 HydrophobicContact CB-CG2 4.41Å; F277-I349 HydrophobicContact CD2-CG2 4.39Å; T280-I349 HydrophobicContact CG2-CB 3.77Å; T280-I349 HydrophobicContact CG2-CG2 3.86Å; F314-I349 HydrophobicContact CE1-CD1 4.04Å; F314-I349 HydrophobicContact CZ-CD1 3.74Å; P321-I349 HydrophobicContact CG-CD1 4.38Å; E345-I349 WeakPolarHBondContact O-CG2 3.48Å; I349-E352 WeakPolarHBondContact CA-OE2 3.43Å; I349-F353 VanDerWaalsContact O-CD2 3.27Å; I349-F353 WeakPolarHBondContact O-CD2 3.22Å; I349-F353 PolarHBondContact O-N 3.09Å; I349-V369 HydrophobicContact CD1-CG1 4.13Å; I349-V369 HydrophobicContact CG1-CG1 4Å
350	Q	98.9	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-77.2	-44.9	-165.6	-81	57.7	24	0	0	111.1	V346 T347 E352 F353 R354 V369 M373 Y416 Q420	V346-Q350 PolarHBondContact O-NE2 3.35Å; T347-Q350 PolarHBondContact O-OE1 2.9Å; Q350-E352 VanDerWaalsContact C-N 3.26Å; Q350-E352 PolarHBondContact O-N 2.84Å; Q350-F353 PolarHBondContact O-N 3.02Å; Q350-R354 WeakPolarHBondContact O-CB 3.27Å; Q350-R354 WeakPolarHBondContact O-CD 3.29Å; Q350-R354 WeakPolarHBondContact O-CG 3.27Å; Q350-R354 PolarHBondContact O-N 3.3Å; Q350-V369 HydrophobicContact CB-CB 4.45Å; Q350-V369 HydrophobicContact CB-CG2 4.36Å; Q350-V369 HydrophobicContact CG-CB 3.87Å; Q350-V369 HydrophobicContact CG-CG2 4.17Å; Q350-V369 PolarHBondContact NE2-O 2.74Å; Q350-M373 HydrophobicContact CG-CG 3.64Å; Q350-M373 HydrophobicContact CG-SD 4Å; Q350-Y416 HydrophobicContact CB-CD1 4.3Å; Q350-Q420 HydrophobicContact CB-CG 3.85Å; Q350-Q420 VanDerWaalsContact CG-OE1 3.28Å
351	L	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.1	-41.9	-174.8	-63.5	175.4	0	0	0	111.6	E355 Y416 K419 Q420 Q423 N634 L640	L351-E355 VanDerWaalsContact O-CB 3.28Å; L351-E355 WeakPolarHBondContact O-CB 3.19Å; L351-E355 PolarHBondContact O-N 2.76Å; L351-Y416 HydrophobicContact CB-CE1 4Å; L351-Y416 HydrophobicContact CD1-CD1 4.14Å; L351-Y416 HydrophobicContact CD1-CD2 4.25Å; L351-Y416 HydrophobicContact CD1-CE1 3.75Å; L351-Y416 HydrophobicContact CD1-CE2 3.81Å; L351-Y416 HydrophobicContact CD1-CG 4.41Å; L351-Y416 HydrophobicContact CG-CD1 3.85Å; L351-Y416 HydrophobicContact CG-CE1 3.62Å; L351-Y416 HydrophobicContact CG-CG 4.46Å; L351-K419 HydrophobicContact CD1-CB 3.94Å; L351-K419 HydrophobicContact CD1-CD 4.44Å; L351-K419 HydrophobicContact CD2-CB 4.35Å; L351-Q420 HydrophobicContact CD2-CB 4.32Å; L351-Q420 HydrophobicContact CD2-CG 3.78Å; L351-Q420 HydrophobicContact CG-CG 4.39Å; L351-Q423 HydrophobicContact CD2-CB 3.87Å; L351-Q423 HydrophobicContact CD2-CG 4.27Å; L351-Q423 PolarHBondContact O-NE2 3.12Å; L351-N634 HydrophobicContact CD1-CB 4.26Å; L351-L640 HydrophobicContact CB-CD1 3.9Å
352	E	98.9	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.1	-48.4	-176.8	-57.5	82.9	174.8	0	0	111.2	T280 L284 L288 I349 Q350 E355 L356 Y416 N634 L640	T280-E352 HydrophobicContact CG2-CB 3.63Å; T280-E352 HydrophobicContact CG2-CG 3.75Å; L284-E352 HydrophobicContact CD2-CB 3.85Å; L284-E352 HydrophobicContact CG-CB 4.03Å; L288-E352 HydrophobicContact CD1-CB 4.14Å; L288-E352 WeakPolarHBondContact CD1-O 3.2Å; I349-E352 WeakPolarHBondContact CA-OE2 3.43Å; Q350-E352 VanDerWaalsContact C-N 3.26Å; Q350-E352 PolarHBondContact O-N 2.84Å; E352-E355 PolarHBondContact O-N 3.4Å; E352-L356 VanDerWaalsContact O-CB 3.27Å; E352-L356 WeakPolarHBondContact O-CB 3.16Å; E352-L356 PolarHBondContact O-N 3.2Å; E352-Y416 PolarHBondContact OE1-OH 3.39Å; E352-N634 WeakPolarHBondContact OE1-CB 3.24Å; E352-N634 PolarHBondContact OE1-ND2 2.98Å; E352-L640 HydrophobicContact CG-CD1 4.41Å
353	F	98.9	Very high	98.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.7	-34.8	178.2	-84.3	-112.4	0	0	0	112.1	L276 T280 L284 L310 M311 F314 I349 Q350 S357 Y365 V369	L276-F353 HydrophobicContact CD1-CZ 4.36Å; T280-F353 HydrophobicContact CG2-CD2 3.85Å; T280-F353 HydrophobicContact CG2-CE2 3.73Å; T280-F353 WeakPolarHBondContact OG1-CE2 3.14Å; L284-F353 HydrophobicContact CD2-CD2 3.9Å; L284-F353 HydrophobicContact CD2-CE2 3.85Å; L310-F353 HydrophobicContact CB-CZ 3.92Å; L310-F353 HydrophobicContact CD1-CE2 4.39Å; L310-F353 HydrophobicContact CD1-CZ 4.22Å; M311-F353 HydrophobicContact SD-CD1 4.23Å; M311-F353 HydrophobicContact SD-CE1 3.75Å; F314-F353 HydrophobicContact CE2-CD1 4.38Å; F314-F353 AromaticContact CE2-CE1 3.71Å; F314-F353 HydrophobicContact CE2-CE1 3.71Å; F314-F353 HydrophobicContact CE2-CZ 4.06Å; F314-F353 HydrophobicContact CZ-CD1 4.42Å; F314-F353 HydrophobicContact CZ-CE1 4.11Å; F314-F353 HydrophobicContact CZ-CZ 4.4Å; I349-F353 VanDerWaalsContact O-CD2 3.27Å; I349-F353 WeakPolarHBondContact O-CD2 3.22Å; I349-F353 PolarHBondContact O-N 3.09Å; Q350-F353 PolarHBondContact O-N 3.02Å; F353-S357 PolarHBondContact O-N 2.85Å; F353-Y365 HydrophobicContact CD1-CD1 4.19Å; F353-Y365 HydrophobicContact CD1-CG 4.45Å; F353-Y365 HydrophobicContact CE1-CD1 4.3Å; F353-Y365 VanDerWaalsContact O-CB 3.3Å; F353-Y365 WeakPolarHBondContact O-CB 3.39Å; F353-V369 HydrophobicContact CB-CB 4.27Å; F353-V369 HydrophobicContact CB-CG1 3.53Å; F353-V369 HydrophobicContact CB-CG2 3.75Å; F353-V369 HydrophobicContact CD1-CG1 3.94Å; F353-V369 HydrophobicContact CD2-CG1 4.25Å; F353-V369 HydrophobicContact CG-CG1 3.65Å
354	R	98.9	Very high	98.7	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-49.5	171.6	-74.9	162	64	107.4	9.5	110.8	Q350 S357 R358 Q366 V369 E428 W643	Q350-R354 WeakPolarHBondContact O-CB 3.27Å; Q350-R354 WeakPolarHBondContact O-CD 3.29Å; Q350-R354 WeakPolarHBondContact O-CG 3.27Å; Q350-R354 PolarHBondContact O-N 3.3Å; R354-S357 PolarHBondContact O-N 2.82Å; R354-R358 PolarHBondContact O-N 2.64Å; R354-Q366 HydrophobicContact CG-CG 4.14Å; R354-V369 HydrophobicContact CG-CG2 4.25Å; R354-E428 IonicContact CZ-OE1 2.63Å; R354-E428 IonicContact CZ-OE2 3.18Å; R354-E428 IonicContact NH1-OE1 2.77Å; R354-E428 PolarHBondContact NH1-OE1 3.34Å; R354-E428 IonicContact NH1-OE2 3.72Å; R354-E428 PolarHBondContact NH1-OE2 3.45Å; R354-E428 IonicContact NH2-OE1 3.43Å; R354-E428 IonicContact NH2-OE2 2.82Å; R354-E428 PolarHBondContact NH2-OE2 2.94Å; R354-W643 HydrophobicContact CB-CH2 3.86Å; R354-W643 HydrophobicContact CB-CZ2 3.86Å; R354-W643 HydrophobicContact CG-CH2 4.5Å
355	E	98.9	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.4	-39.1	179.9	-174.5	54.4	-151.2	0	0	112.1	L288 H292 L351 E352 S357 R358 L359 L640 W643	L288-E355 HydrophobicContact CD1-CB 4.43Å; H292-E355 IonicContact NE2-OE1 2.67Å; H292-E355 PolarHBondContact NE2-OE1 3.12Å; L351-E355 VanDerWaalsContact O-CB 3.28Å; L351-E355 WeakPolarHBondContact O-CB 3.19Å; L351-E355 PolarHBondContact O-N 2.76Å; E352-E355 PolarHBondContact O-N 3.4Å; E355-S357 VanDerWaalsContact C-N 3.35Å; E355-S357 PolarHBondContact O-N 3.44Å; E355-R358 VanDerWaalsContact CD-NE 3.32Å; E355-R358 WeakPolarHBondContact O-CB 3.25Å; E355-R358 PolarHBondContact O-N 2.98Å; E355-R358 VanDerWaalsContact O-N 3.08Å; E355-R358 IonicContact OE1-CZ 3.72Å; E355-R358 IonicContact OE1-NE 3.02Å; E355-R358 PolarHBondContact OE1-NE 2.86Å; E355-R358 IonicContact OE1-NH2 2.6Å; E355-R358 PolarHBondContact OE1-NH2 3.21Å; E355-R358 IonicContact OE2-CZ 3.31Å; E355-R358 IonicContact OE2-NE 3.97Å; E355-R358 PolarHBondContact OE2-NE 3.27Å; E355-R358 IonicContact OE2-NH2 3.2Å; E355-L359 HydrophobicContact CG-CD1 4.26Å; E355-L359 WeakPolarHBondContact O-CG 3.31Å; E355-L359 PolarHBondContact O-N 3.19Å; E355-L359 WeakPolarHBondContact OE1-CG 3.41Å; E355-L640 HydrophobicContact CG-CD2 4.38Å; E355-W643 PolarHBondContact OE2-NE1 3.13Å
356	L	98.9	Very high	98.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-43.7	174	-175.9	65.3	0	0	0	111.6	L284 L288 L300 A303 K304 E352 L359 T360 Y365	L284-L356 HydrophobicContact CD1-CD1 4.43Å; L284-L356 HydrophobicContact CD1-CD2 4.2Å; L284-L356 HydrophobicContact CD2-CD2 4.24Å; L288-L356 HydrophobicContact CD2-CD1 4.29Å; L300-L356 HydrophobicContact CD1-CD1 4.46Å; A303-L356 HydrophobicContact CB-CD1 4.3Å; K304-L356 HydrophobicContact CB-CD1 4.41Å; E352-L356 VanDerWaalsContact O-CB 3.27Å; E352-L356 WeakPolarHBondContact O-CB 3.16Å; E352-L356 PolarHBondContact O-N 3.2Å; L356-L359 PolarHBondContact O-N 2.72Å; L356-T360 HydrophobicContact CD1-CG2 3.75Å; L356-T360 HydrophobicContact CG-CG2 4.28Å; L356-T360 WeakPolarHBondContact O-CB 3.14Å; L356-T360 WeakPolarHBondContact O-CG2 3.34Å; L356-T360 PolarHBondContact O-N 2.89Å; L356-T360 PolarHBondContact O-OG1 3.27Å; L356-Y365 HydrophobicContact CB-CD2 4.48Å; L356-Y365 HydrophobicContact CD2-CD1 3.81Å; L356-Y365 HydrophobicContact CD2-CD2 3.93Å; L356-Y365 HydrophobicContact CD2-CE1 3.97Å; L356-Y365 HydrophobicContact CD2-CE2 4.07Å; L356-Y365 HydrophobicContact CD2-CG 3.83Å; L356-Y365 HydrophobicContact CG-CD2 3.9Å; L356-Y365 HydrophobicContact CG-CE2 4.13Å; L356-Y365 HydrophobicContact CG-CG 4.2Å
357	S	98.9	Very high	98.7	Very high	5 Å²	5	33.5 Å²	33.5	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-43.5	171.5	-89.8	0	0	0	0	112.5	F353 R354 E355 L359 Q361 E362 Y365 Q366	F353-S357 PolarHBondContact O-N 2.85Å; R354-S357 PolarHBondContact O-N 2.82Å; E355-S357 VanDerWaalsContact C-N 3.35Å; E355-S357 PolarHBondContact O-N 3.44Å; S357-L359 VanDerWaalsContact C-N 3.35Å; S357-L359 PolarHBondContact O-N 3.3Å; S357-Q361 WeakPolarHBondContact O-CA 3.25Å; S357-Q361 PolarHBondContact O-N 3.34Å; S357-E362 WeakPolarHBondContact CA-O 3.02Å; S357-E362 WeakPolarHBondContact CB-O 3.48Å; S357-E362 PolarHBondContact OG-O 2.96Å; S357-Y365 WeakPolarHBondContact OG-CB 3.14Å; S357-Y365 PolarHBondContact OG-N 3.08Å; S357-Q366 WeakPolarHBondContact OG-CB 3.35Å; S357-Q366 PolarHBondContact OG-N 3.21Å
358	R	98.5	Very high	98.7	Very high	93 Å²	93	34.3 Å²	34.3	35%	0.351	18%	0.181	S	C	.	.	H	α-helix	trans	-62.2	-40.6	-179.9	-167	-172.6	73	84.1	-1.3	112.5	H292 R354 E355 Q361 W643	H292-R358 PolarHBondContact NE2-NH2 3.35Å; R354-R358 PolarHBondContact O-N 2.64Å; E355-R358 VanDerWaalsContact CD-NE 3.32Å; E355-R358 WeakPolarHBondContact O-CB 3.25Å; E355-R358 PolarHBondContact O-N 2.98Å; E355-R358 VanDerWaalsContact O-N 3.08Å; E355-R358 IonicContact OE1-CZ 3.72Å; E355-R358 IonicContact OE1-NE 3.02Å; E355-R358 PolarHBondContact OE1-NE 2.86Å; E355-R358 IonicContact OE1-NH2 2.6Å; E355-R358 PolarHBondContact OE1-NH2 3.21Å; E355-R358 IonicContact OE2-CZ 3.31Å; E355-R358 IonicContact OE2-NE 3.97Å; E355-R358 PolarHBondContact OE2-NE 3.27Å; E355-R358 IonicContact OE2-NH2 3.2Å; R358-Q361 PolarHBondContact O-NE2 2.84Å; R358-Q361 VanDerWaalsContact O-NE2 3.11Å; R358-W643 HydrophobicContact CB-CZ2 4.26Å
359	L	98.6	Very high	98.7	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.188	18%	0.182	C	C	.	.	H	α-helix	trans	-77.6	-40.9	-179.8	-67.8	177.8	0	0	0	113.2	L288 Y291 H292 L300 E355 L356 S357	L288-L359 HydrophobicContact CD2-CD1 3.81Å; Y291-L359 HydrophobicContact CD1-CD1 3.75Å; Y291-L359 HydrophobicContact CE1-CD1 3.75Å; Y291-L359 HydrophobicContact CE1-CD2 3.81Å; Y291-L359 HydrophobicContact CE1-CG 4.4Å; H292-L359 WeakPolarHBondContact NE2-CD2 3.02Å; L300-L359 HydrophobicContact CD1-CB 3.81Å; L300-L359 HydrophobicContact CD1-CD1 3.79Å; L300-L359 HydrophobicContact CD1-CG 4.46Å; L300-L359 HydrophobicContact CD2-CB 4.2Å; E355-L359 HydrophobicContact CG-CD1 4.26Å; E355-L359 WeakPolarHBondContact O-CG 3.31Å; E355-L359 PolarHBondContact O-N 3.19Å; E355-L359 WeakPolarHBondContact OE1-CG 3.41Å; L356-L359 PolarHBondContact O-N 2.72Å; S357-L359 VanDerWaalsContact C-N 3.35Å; S357-L359 PolarHBondContact O-N 3.3Å
360	T	98.5	Very high	98.7	Very high	27 Å²	27	36 Å²	36	17%	0.166	20%	0.195	C	C	.	.	H	α-helix	trans	-86.2	-13.7	-176.4	60.8	0	0	0	0	114.1	L300 K304 L356 E362	L300-T360 HydrophobicContact CD1-CG2 4.43Å; K304-T360 HydrophobicContact CB-CG2 4.19Å; K304-T360 HydrophobicContact CD-CG2 3.91Å; K304-T360 HydrophobicContact CG-CG2 4.09Å; L356-T360 HydrophobicContact CD1-CG2 3.75Å; L356-T360 HydrophobicContact CG-CG2 4.28Å; L356-T360 WeakPolarHBondContact O-CB 3.14Å; L356-T360 WeakPolarHBondContact O-CG2 3.34Å; L356-T360 PolarHBondContact O-N 2.89Å; L356-T360 PolarHBondContact O-OG1 3.27Å; T360-E362 PolarHBondContact O-N 3.31Å; T360-E362 PolarHBondContact OG1-N 3.3Å
361	Q	98.2	Very high	98.7	Very high	158 Å²	158	39.4 Å²	39.4	74%	0.738	21%	0.211	S	C	*	.			trans	59.5	18.9	-170.2	-56.2	-66.5	-27.3	0	0	113.9	S357 R358 P363	S357-Q361 WeakPolarHBondContact O-CA 3.25Å; S357-Q361 PolarHBondContact O-N 3.34Å; R358-Q361 PolarHBondContact O-NE2 2.84Å; R358-Q361 VanDerWaalsContact O-NE2 3.11Å; Q361-P363 WeakPolarHBondContact O-CD 3.45Å
362	E	98.4	Very high	98.7	Very high	55 Å²	55	39.4 Å²	39.4	26%	0.257	21%	0.211	S	C	.	.			trans	-98.9	106.8	175.5	-71.4	173.1	-167.5	0	0	109.3	K304 S357 T360 Q364 Y365	K304-E362 WeakPolarHBondContact CE-OE1 3.31Å; K304-E362 IonicContact NZ-OE1 3.19Å; K304-E362 PolarHBondContact NZ-OE1 2.68Å; S357-E362 WeakPolarHBondContact CA-O 3.02Å; S357-E362 WeakPolarHBondContact CB-O 3.48Å; S357-E362 PolarHBondContact OG-O 2.96Å; T360-E362 PolarHBondContact O-N 3.31Å; T360-E362 PolarHBondContact OG1-N 3.3Å; E362-Q364 HydrophobicContact CB-CG 4.47Å; E362-Q364 PolarHBondContact O-N 2.82Å; E362-Q364 VanDerWaalsContact O-N 3.08Å; E362-Y365 HydrophobicContact CB-CD2 4.18Å; E362-Y365 HydrophobicContact CB-CE2 3.67Å; E362-Y365 WeakPolarHBondContact O-CD2 3.44Å; E362-Y365 VanDerWaalsContact OE2-CE2 3.26Å; E362-Y365 WeakPolarHBondContact OE2-CE2 3.14Å; E362-Y365 PolarHBondContact OE2-OH 3.35Å
363	P	98.3	Very high	98.6	Very high	100 Å²	100	40.1 Å²	40.1	65%	0.649	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.5	-170.9	28.3	-36.3	0	0	0	114.3	Q361 Y365 A367	Q361-P363 WeakPolarHBondContact O-CD 3.45Å; P363-Y365 PolarHBondContact O-N 3.28Å; P363-A367 WeakPolarHBondContact O-CB 3.14Å; P363-A367 PolarHBondContact O-N 3.23Å
364	Q	98.4	Very high	98.6	Very high	95 Å²	95	43 Å²	43	44%	0.444	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-34.5	-173.6	67.9	-168.9	11.1	0	0	114	M311 E362 A368	M311-Q364 HydrophobicContact CE-CB 4.28Å; M311-Q364 HydrophobicContact CE-CG 4.35Å; M311-Q364 WeakPolarHBondContact CE-O 3.42Å; E362-Q364 HydrophobicContact CB-CG 4.47Å; E362-Q364 PolarHBondContact O-N 2.82Å; E362-Q364 VanDerWaalsContact O-N 3.08Å; Q364-A368 WeakPolarHBondContact O-CB 3.46Å; Q364-A368 PolarHBondContact O-N 2.82Å; Q364-A368 VanDerWaalsContact O-N 3.16Å
365	Y	98.8	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-54.4	-179.2	-49.7	-70.2	0	0	0	110.4	S308 M311 F353 L356 S357 E362 P363 A367 A368 V369	S308-Y365 PolarHBondContact OG-OH 3.32Å; M311-Y365 HydrophobicContact CG-CD1 3.92Å; M311-Y365 HydrophobicContact CG-CE1 3.77Å; M311-Y365 HydrophobicContact SD-CD1 3.56Å; M311-Y365 VanDerWaalsContact SD-CD1 3.56Å; M311-Y365 HydrophobicContact SD-CE1 4.07Å; F353-Y365 HydrophobicContact CD1-CD1 4.19Å; F353-Y365 HydrophobicContact CD1-CG 4.45Å; F353-Y365 HydrophobicContact CE1-CD1 4.3Å; F353-Y365 VanDerWaalsContact O-CB 3.3Å; F353-Y365 WeakPolarHBondContact O-CB 3.39Å; L356-Y365 HydrophobicContact CB-CD2 4.48Å; L356-Y365 HydrophobicContact CD2-CD1 3.81Å; L356-Y365 HydrophobicContact CD2-CD2 3.93Å; L356-Y365 HydrophobicContact CD2-CE1 3.97Å; L356-Y365 HydrophobicContact CD2-CE2 4.07Å; L356-Y365 HydrophobicContact CD2-CG 3.83Å; L356-Y365 HydrophobicContact CG-CD2 3.9Å; L356-Y365 HydrophobicContact CG-CE2 4.13Å; L356-Y365 HydrophobicContact CG-CG 4.2Å; S357-Y365 WeakPolarHBondContact OG-CB 3.14Å; S357-Y365 PolarHBondContact OG-N 3.08Å; E362-Y365 HydrophobicContact CB-CD2 4.18Å; E362-Y365 HydrophobicContact CB-CE2 3.67Å; E362-Y365 WeakPolarHBondContact O-CD2 3.44Å; E362-Y365 VanDerWaalsContact OE2-CE2 3.26Å; E362-Y365 WeakPolarHBondContact OE2-CE2 3.14Å; E362-Y365 PolarHBondContact OE2-OH 3.35Å; P363-Y365 PolarHBondContact O-N 3.28Å; Y365-A367 PolarHBondContact O-N 2.91Å; Y365-A368 PolarHBondContact O-N 3.44Å; Y365-V369 PolarHBondContact O-N 3.36Å
366	Q	98.7	Very high	98.5	Very high	68 Å²	68	44.3 Å²	44.3	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-58.9	-44	174.8	179.5	172	12.9	0	0	112.2	R354 S357 A368 V369 A370	R354-Q366 HydrophobicContact CG-CG 4.14Å; S357-Q366 WeakPolarHBondContact OG-CB 3.35Å; S357-Q366 PolarHBondContact OG-N 3.21Å; Q366-A368 VanDerWaalsContact C-N 3.31Å; Q366-A368 PolarHBondContact O-N 2.9Å; Q366-V369 WeakPolarHBondContact O-CG2 3.37Å; Q366-V369 PolarHBondContact O-N 2.68Å; Q366-A370 WeakPolarHBondContact O-CB 3.45Å; Q366-A370 PolarHBondContact O-N 3.1Å
367	A	98.8	Very high	98.5	Very high	60 Å²	60	46.9 Å²	46.9	50%	0.496	25%	0.248	S	C	.	.	H	α-helix	trans	-61.1	-39.1	-179	0	0	0	0	0	112.5	P363 Y365 E371	P363-A367 WeakPolarHBondContact O-CB 3.14Å; P363-A367 PolarHBondContact O-N 3.23Å; Y365-A367 PolarHBondContact O-N 2.91Å; A367-E371 WeakPolarHBondContact O-CB 3.46Å; A367-E371 PolarHBondContact O-N 2.98Å; A367-E371 VanDerWaalsContact O-N 3.12Å
368	A	98.8	Very high	98.4	Very high	17 Å²	17	53.6 Å²	53.6	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-48	178.6	0	0	0	0	0	112.4	M311 F314 Q364 Y365 Q366 E371 V372	M311-A368 HydrophobicContact CE-CB 3.9Å; F314-A368 HydrophobicContact CB-CB 4.48Å; F314-A368 HydrophobicContact CD1-CB 3.84Å; F314-A368 HydrophobicContact CD2-CB 4.23Å; F314-A368 HydrophobicContact CE1-CB 4.04Å; F314-A368 HydrophobicContact CE2-CB 4.43Å; F314-A368 HydrophobicContact CG-CB 3.93Å; F314-A368 HydrophobicContact CZ-CB 4.33Å; Q364-A368 WeakPolarHBondContact O-CB 3.46Å; Q364-A368 PolarHBondContact O-N 2.82Å; Q364-A368 VanDerWaalsContact O-N 3.16Å; Y365-A368 PolarHBondContact O-N 3.44Å; Q366-A368 VanDerWaalsContact C-N 3.31Å; Q366-A368 PolarHBondContact O-N 2.9Å; A368-E371 PolarHBondContact O-N 2.95Å; A368-V372 PolarHBondContact O-N 2.63Å
369	V	98.8	Very high	98.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-75.4	-28.3	-178.7	-60.5	0	0	0	0	113.3	F314 I349 Q350 F353 R354 Y365 Q366 V372 M373	F314-V369 HydrophobicContact CE1-CG1 3.97Å; F314-V369 HydrophobicContact CZ-CG1 3.72Å; I349-V369 HydrophobicContact CD1-CG1 4.13Å; I349-V369 HydrophobicContact CG1-CG1 4Å; Q350-V369 HydrophobicContact CB-CB 4.45Å; Q350-V369 HydrophobicContact CB-CG2 4.36Å; Q350-V369 HydrophobicContact CG-CB 3.87Å; Q350-V369 HydrophobicContact CG-CG2 4.17Å; Q350-V369 PolarHBondContact NE2-O 2.74Å; F353-V369 HydrophobicContact CB-CB 4.27Å; F353-V369 HydrophobicContact CB-CG1 3.53Å; F353-V369 HydrophobicContact CB-CG2 3.75Å; F353-V369 HydrophobicContact CD1-CG1 3.94Å; F353-V369 HydrophobicContact CD2-CG1 4.25Å; F353-V369 HydrophobicContact CG-CG1 3.65Å; R354-V369 HydrophobicContact CG-CG2 4.25Å; Y365-V369 PolarHBondContact O-N 3.36Å; Q366-V369 WeakPolarHBondContact O-CG2 3.37Å; Q366-V369 PolarHBondContact O-N 2.68Å; V369-V372 PolarHBondContact O-N 3.45Å; V369-M373 PolarHBondContact O-N 2.93Å
370	A	98.6	Very high	98.1	Very high	34 Å²	34	56.4 Å²	56.4	28%	0.281	29%	0.293	S	S	.	.	H	α-helix	trans	-67.9	-37.2	171.9	0	0	0	0	0	111.8	Q366 V372 M373 N374	Q366-A370 WeakPolarHBondContact O-CB 3.45Å; Q366-A370 PolarHBondContact O-N 3.1Å; A370-V372 VanDerWaalsContact C-N 3.31Å; A370-V372 PolarHBondContact O-N 2.95Å; A370-M373 PolarHBondContact O-N 3.1Å; A370-N374 WeakPolarHBondContact O-CB 2.97Å; A370-N374 PolarHBondContact O-N 2.73Å; A370-N374 PolarHBondContact O-ND2 3.3Å
371	E	98.6	Very high	97.8	Very high	72 Å²	72	56.4 Å²	56.4	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-37.2	175	-178.8	53.3	-155.3	0	0	112	K319 A367 A368 N374 Q375	K319-E371 HydrophobicContact CB-CG 4.04Å; K319-E371 HydrophobicContact CG-CG 4.45Å; A367-E371 WeakPolarHBondContact O-CB 3.46Å; A367-E371 PolarHBondContact O-N 2.98Å; A367-E371 VanDerWaalsContact O-N 3.12Å; A368-E371 PolarHBondContact O-N 2.95Å; E371-N374 PolarHBondContact O-N 3Å; E371-Q375 WeakPolarHBondContact O-CG 3.41Å; E371-Q375 PolarHBondContact O-N 3.36Å; E371-Q375 PolarHBondContact OE1-NE2 3.47Å
372	V	98.8	Very high	97.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-49.5	172.8	179.4	0	0	0	0	111.3	F314 I320 P321 V346 T347 A368 V369 A370 N374 Q375 V376	F314-V372 HydrophobicContact CD1-CG2 4.37Å; F314-V372 HydrophobicContact CE1-CG2 4.2Å; I320-V372 HydrophobicContact CD1-CB 4.5Å; I320-V372 HydrophobicContact CD1-CG1 3.97Å; P321-V372 HydrophobicContact CG-CG2 4.47Å; V346-V372 HydrophobicContact CB-CG1 4.2Å; V346-V372 HydrophobicContact CG2-CG1 4.02Å; V346-V372 WeakPolarHBondContact O-CG1 3.19Å; T347-V372 HydrophobicContact CG2-CG1 4.38Å; A368-V372 PolarHBondContact O-N 2.63Å; V369-V372 PolarHBondContact O-N 3.45Å; A370-V372 VanDerWaalsContact C-N 3.31Å; A370-V372 PolarHBondContact O-N 2.95Å; V372-N374 PolarHBondContact O-N 3.36Å; V372-Q375 PolarHBondContact O-N 3.48Å; V372-V376 HydrophobicContact CG1-CG2 4.38Å; V372-V376 WeakPolarHBondContact O-CG2 3.19Å; V372-V376 PolarHBondContact O-N 2.92Å
373	M	98.6	Very high	97.8	Very high	15 Å²	15	50.4 Å²	50.4	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-41.1	178	-63.4	-53.4	-62.5	0	0	112	T347 Q350 V369 A370 Q375 V376 H377 Y413 L417 L431	T347-M373 HydrophobicContact CG2-SD 3.98Å; Q350-M373 HydrophobicContact CG-CG 3.64Å; Q350-M373 HydrophobicContact CG-SD 4Å; V369-M373 PolarHBondContact O-N 2.93Å; A370-M373 PolarHBondContact O-N 3.1Å; M373-Q375 PolarHBondContact O-N 3.41Å; M373-V376 PolarHBondContact O-N 2.6Å; M373-H377 VanDerWaalsContact O-CB 3.32Å; M373-H377 WeakPolarHBondContact O-CB 3.29Å; M373-H377 PolarHBondContact O-N 2.74Å; M373-Y413 HydrophobicContact CE-CE2 4.47Å; M373-L417 HydrophobicContact CE-CD2 3.61Å; M373-L417 HydrophobicContact CE-CG 4.49Å; M373-L431 HydrophobicContact CE-CD2 3.82Å
374	N	98.3	Very high	97.8	Very high	60 Å²	60	48.1 Å²	48.1	32%	0.321	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-29	176.3	-76.7	-26	0	0	0	113.4	A370 E371 V372 K378	A370-N374 WeakPolarHBondContact O-CB 2.97Å; A370-N374 PolarHBondContact O-N 2.73Å; A370-N374 PolarHBondContact O-ND2 3.3Å; E371-N374 PolarHBondContact O-N 3Å; V372-N374 PolarHBondContact O-N 3.36Å; N374-K378 WeakPolarHBondContact O-CD 3.43Å; N374-K378 WeakPolarHBondContact O-CE 3.35Å; N374-K378 WeakPolarHBondContact O-CG 3.33Å; N374-K378 PolarHBondContact O-NZ 3.2Å
375	Q	97.6	Very high	97.7	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.154	23%	0.234	C	C	.	.	H	α-helix	trans	-80.1	-53.4	173.3	-72.8	179.6	40.5	0	0	110.8	S318 I320 E371 V372 M373 H377 K378 L379	S318-Q375 PolarHBondContact O-NE2 2.97Å; S318-Q375 PolarHBondContact O-OE1 3.43Å; S318-Q375 VanDerWaalsContact O-OE1 3.13Å; I320-Q375 HydrophobicContact CD1-CB 4.21Å; E371-Q375 WeakPolarHBondContact O-CG 3.41Å; E371-Q375 PolarHBondContact O-N 3.36Å; E371-Q375 PolarHBondContact OE1-NE2 3.47Å; V372-Q375 PolarHBondContact O-N 3.48Å; M373-Q375 PolarHBondContact O-N 3.41Å; Q375-H377 PolarHBondContact O-N 2.9Å; Q375-K378 PolarHBondContact O-N 2.78Å; Q375-L379 WeakPolarHBondContact O-CG 3.4Å; Q375-L379 PolarHBondContact O-N 2.93Å
376	V	98.1	Very high	97.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-37.4	-178.5	172.3	0	0	0	0	112.2	T347 V372 M373 K378 L379 K382 I391 F398 Y413	T347-V376 HydrophobicContact CG2-CB 4.5Å; T347-V376 HydrophobicContact CG2-CG1 4.35Å; T347-V376 HydrophobicContact CG2-CG2 3.97Å; V372-V376 HydrophobicContact CG1-CG2 4.38Å; V372-V376 WeakPolarHBondContact O-CG2 3.19Å; V372-V376 PolarHBondContact O-N 2.92Å; M373-V376 PolarHBondContact O-N 2.6Å; V376-K378 VanDerWaalsContact C-N 3.32Å; V376-K378 PolarHBondContact O-N 2.85Å; V376-L379 PolarHBondContact O-N 3.41Å; V376-K382 WeakPolarHBondContact O-CE 3.4Å; V376-K382 PolarHBondContact O-NZ 3.41Å; V376-I391 HydrophobicContact CG2-CD1 4.13Å; V376-F398 HydrophobicContact CG1-CZ 4.18Å; V376-Y413 HydrophobicContact CG1-CD2 4.42Å; V376-Y413 HydrophobicContact CG1-CE2 3.6Å
377	H	98.3	Very high	97.7	Very high	54 Å²	54	40.5 Å²	40.5	25%	0.25	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-45.5	172.4	175.5	59.8	0	0	0	112.3	M373 Q375 L379 K382 D434	M373-H377 VanDerWaalsContact O-CB 3.32Å; M373-H377 WeakPolarHBondContact O-CB 3.29Å; M373-H377 PolarHBondContact O-N 2.74Å; Q375-H377 PolarHBondContact O-N 2.9Å; H377-L379 PolarHBondContact O-N 3.3Å; H377-K382 PolarHBondContact O-NZ 3.16Å; H377-K382 VanDerWaalsContact O-NZ 3.08Å; H377-D434 IonicContact CE1-OD1 2.69Å; H377-D434 PolarHBondContact CE1-OD1 3.04Å; H377-D434 IonicContact ND1-OD1 2.69Å; H377-D434 PolarHBondContact ND1-OD1 2.82Å; H377-D434 IonicContact ND1-OD2 2.75Å; H377-D434 PolarHBondContact ND1-OD2 2.82Å
378	K	97.3	Very high	97.7	Very high	147 Å²	147	37.6 Å²	37.6	64%	0.639	20%	0.195	S	C	*	.	H	α-helix	trans	-81.6	-7.9	-175.3	-62.1	168.4	-166.7	148	0	114.7	N374 Q375 V376	N374-K378 WeakPolarHBondContact O-CD 3.43Å; N374-K378 WeakPolarHBondContact O-CE 3.35Å; N374-K378 WeakPolarHBondContact O-CG 3.33Å; N374-K378 PolarHBondContact O-NZ 3.2Å; Q375-K378 PolarHBondContact O-N 2.78Å; V376-K378 VanDerWaalsContact C-N 3.32Å; V376-K378 PolarHBondContact O-N 2.85Å
379	L	96.8	Very high	97.7	Very high	20 Å²	20	38.2 Å²	38.2	11%	0.105	20%	0.195	C	C	.	.			trans	-74.4	130.4	-174.7	-73.2	179.8	0	0	0	113	Q375 V376 H377 I391 G396 F398	Q375-L379 WeakPolarHBondContact O-CG 3.4Å; Q375-L379 PolarHBondContact O-N 2.93Å; V376-L379 PolarHBondContact O-N 3.41Å; H377-L379 PolarHBondContact O-N 3.3Å; L379-I391 HydrophobicContact CD1-CD1 3.68Å; L379-G396 WeakPolarHBondContact CD1-O 3.36Å; L379-G396 WeakPolarHBondContact CD2-O 3.33Å; L379-F398 HydrophobicContact CB-CD2 3.82Å; L379-F398 HydrophobicContact CB-CE2 3.45Å; L379-F398 VanDerWaalsContact CB-CE2 3.45Å; L379-F398 HydrophobicContact CB-CZ 4.18Å; L379-F398 HydrophobicContact CD1-CD1 4.17Å; L379-F398 HydrophobicContact CD1-CD2 3.87Å; L379-F398 HydrophobicContact CD1-CE1 4.03Å; L379-F398 HydrophobicContact CD1-CE2 3.73Å; L379-F398 HydrophobicContact CD1-CG 4.09Å; L379-F398 HydrophobicContact CD1-CZ 3.81Å; L379-F398 HydrophobicContact CG-CD2 4.47Å; L379-F398 HydrophobicContact CG-CE2 4.25Å
380	E	94.4	Very high	97.7	Very high	167 Å²	167	39.9 Å²	39.9	78%	0.78	20%	0.203	S	C	*	.	S	Bend	trans	-70.9	166.7	164.5	-62.1	-174.7	178.5	0	0	111.4	F398	E380-F398 WeakPolarHBondContact O-CD2 3.36Å
381	G	91.7	Very high	97.7	Very high	27 Å²	27	38.3 Å²	38.3	28%	0.278	19%	0.189	S	C	.	.			trans	87.4	6.3	-179.9	0	0	0	0	0	114.9	Y404	G381-Y404 PolarHBondContact O-OH 2.83Å
382	K	97.9	Very high	97.6	Very high	41 Å²	41	35.8 Å²	35.8	18%	0.178	18%	0.178	C	C	.	.			trans	-70.3	145.9	160.6	-57.3	-179.9	-174.1	172.9	0	110.1	V376 H377 L386 V387 F398 D434	V376-K382 WeakPolarHBondContact O-CE 3.4Å; V376-K382 PolarHBondContact O-NZ 3.41Å; H377-K382 PolarHBondContact O-NZ 3.16Å; H377-K382 VanDerWaalsContact O-NZ 3.08Å; K382-L386 CarbonylContact C-O 3.47Å; K382-L386 WeakPolarHBondContact CA-O 3.19Å; K382-L386 WeakPolarHBondContact CB-O 3.15Å; K382-V387 HydrophobicContact CD-CG1 4.44Å; K382-V387 HydrophobicContact CG-CG1 4.24Å; K382-F398 HydrophobicContact CG-CE2 4.01Å; K382-D434 IonicContact NZ-OD2 3.26Å; K382-D434 PolarHBondContact NZ-OD2 2.9Å
383	L	98.1	Very high	97.6	Very high	47 Å²	47	35.8 Å²	35.8	25%	0.246	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-105.5	102.5	169.3	173.6	64.6	0	0	0	109.4	G385 L386 Y404 N445 L461	L383-G385 PolarHBondContact O-N 3.04Å; L383-L386 HydrophobicContact CB-CB 4.44Å; L383-L386 PolarHBondContact N-O 3.26Å; L383-L386 WeakPolarHBondContact O-CB 3.34Å; L383-L386 VanDerWaalsContact O-CG 3.26Å; L383-L386 WeakPolarHBondContact O-CG 3.38Å; L383-L386 PolarHBondContact O-N 2.89Å; L383-Y404 HydrophobicContact CB-CD1 4.32Å; L383-Y404 HydrophobicContact CB-CD2 4.15Å; L383-Y404 HydrophobicContact CB-CE1 3.82Å; L383-Y404 HydrophobicContact CB-CE2 3.6Å; L383-Y404 HydrophobicContact CB-CG 4.48Å; L383-Y404 VanDerWaalsContact CB-CZ 3.43Å; L383-Y404 HydrophobicContact CD2-CD2 3.79Å; L383-Y404 HydrophobicContact CD2-CE2 3.67Å; L383-Y404 HydrophobicContact CG-CE2 4.28Å; L383-N445 HydrophobicContact CD2-CB 4.44Å; L383-L461 HydrophobicContact CD2-CD2 3.41Å; L383-L461 VanDerWaalsContact CD2-CD2 3.41Å
384	D	97.9	Very high	97.5	Very high	52 Å²	52	38.7 Å²	38.7	28%	0.278	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	46.4	-176.1	-53.8	-65	0	0	0	112.1	L386 Q437 G441 K444 N445	D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 2.78Å; D384-Q437 CarbonylContact O-C 3.55Å; D384-G441 VanDerWaalsContact O-CA 3.27Å; D384-G441 WeakPolarHBondContact O-CA 3.46Å; D384-K444 IonicContact OD1-NZ 3.57Å; D384-K444 PolarHBondContact OD1-NZ 3.17Å; D384-K444 WeakPolarHBondContact OD2-CD 3.32Å; D384-K444 WeakPolarHBondContact OD2-CE 3.25Å; D384-K444 IonicContact OD2-NZ 2.71Å; D384-K444 PolarHBondContact OD2-NZ 3.08Å; D384-N445 PolarHBondContact OD2-ND2 3.43Å
385	G	98.1	Very high	97.4	Very high	2 Å²	2	39 Å²	39	2%	0.021	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-16.4	-176.7	0	0	0	0	0	115.8	L383	L383-G385 PolarHBondContact O-N 3.04Å
386	L	98.8	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-67.8	130.3	173.8	-57.5	171.8	0	0	0	110.8	K382 L383 D384 Y404 L406 Y414 V442 N445 L446	K382-L386 CarbonylContact C-O 3.47Å; K382-L386 WeakPolarHBondContact CA-O 3.19Å; K382-L386 WeakPolarHBondContact CB-O 3.15Å; L383-L386 HydrophobicContact CB-CB 4.44Å; L383-L386 PolarHBondContact N-O 3.26Å; L383-L386 WeakPolarHBondContact O-CB 3.34Å; L383-L386 VanDerWaalsContact O-CG 3.26Å; L383-L386 WeakPolarHBondContact O-CG 3.38Å; L383-L386 PolarHBondContact O-N 2.89Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 2.78Å; L386-Y404 HydrophobicContact CB-CD1 3.81Å; L386-Y404 HydrophobicContact CB-CG 4.2Å; L386-Y404 WeakPolarHBondContact O-CE1 3.11Å; L386-L406 HydrophobicContact CD2-CD1 3.83Å; L386-Y414 WeakPolarHBondContact CA-OH 3.24Å; L386-Y414 HydrophobicContact CD2-CE1 4.34Å; L386-V442 HydrophobicContact CD2-CG2 3.79Å; L386-N445 HydrophobicContact CD1-CB 4.13Å; L386-L446 HydrophobicContact CD1-CD1 3.78Å; L386-L446 HydrophobicContact CD1-CD2 4.48Å; L386-L446 HydrophobicContact CD1-CG 3.95Å; L386-L446 HydrophobicContact CD2-CD1 3.84Å; L386-L446 HydrophobicContact CG-CD1 4.47Å
387	V	98.6	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-95.7	146.3	-178.7	-68.5	0	0	0	0	112.7	V343 K382 F398 A410 Y413 Y414	V343-V387 HydrophobicContact CG1-CB 4.25Å; V343-V387 HydrophobicContact CG1-CG2 3.86Å; K382-V387 HydrophobicContact CD-CG1 4.44Å; K382-V387 HydrophobicContact CG-CG1 4.24Å; V387-F398 HydrophobicContact CB-CE1 4.33Å; V387-F398 HydrophobicContact CB-CZ 4.12Å; V387-F398 HydrophobicContact CG1-CE1 4.39Å; V387-F398 HydrophobicContact CG1-CE2 4.47Å; V387-F398 HydrophobicContact CG1-CZ 3.77Å; V387-A410 HydrophobicContact CG2-CB 4.38Å; V387-Y413 HydrophobicContact CB-CD1 4.39Å; V387-Y413 HydrophobicContact CB-CE1 4.22Å; V387-Y413 HydrophobicContact CG1-CD1 4.02Å; V387-Y413 HydrophobicContact CG1-CE1 3.4Å; V387-Y413 VanDerWaalsContact CG1-CE1 3.4Å; V387-Y413 HydrophobicContact CG1-CE2 4.33Å; V387-Y413 HydrophobicContact CG2-CD1 3.45Å; V387-Y413 VanDerWaalsContact CG2-CD1 3.45Å; V387-Y413 HydrophobicContact CG2-CE1 3.74Å; V387-Y413 HydrophobicContact CG2-CG 4.05Å; V387-Y414 HydrophobicContact CG2-CE1 4.4Å; V387-Y414 PolarHBondContact N-OH 3.43Å
388	P	98.2	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-62.1	161.3	163.2	-22.6	36	0	0	0	112	V343 F390 F398 T399 Q401 Y404	V343-P388 VanDerWaalsContact CG2-O 3.27Å; V343-P388 WeakPolarHBondContact CG2-O 3.48Å; P388-F390 VanDerWaalsContact C-N 3.34Å; P388-F390 PolarHBondContact O-N 2.83Å; P388-F398 HydrophobicContact CB-CB 4.19Å; P388-F398 HydrophobicContact CB-CD1 4.47Å; P388-F398 HydrophobicContact CB-CG 4.39Å; P388-F398 HydrophobicContact CG-CB 3.86Å; P388-F398 HydrophobicContact CG-CD1 4.4Å; P388-F398 HydrophobicContact CG-CD2 4.2Å; P388-F398 HydrophobicContact CG-CG 3.94Å; P388-T399 WeakPolarHBondContact CB-O 3.42Å; P388-Q401 HydrophobicContact CG-CG 4.39Å; P388-Y404 HydrophobicContact CG-CE1 4.12Å
389	M	98.1	Very high	97.4	Very high	30 Å²	30	34.7 Å²	34.7	15%	0.148	19%	0.186	C	C	.	.	S	Bend	trans	-73.5	-17.2	-176.2	-65.7	178.3	-66.2	0	0	115.4	V343 I403 T405 R409	V343-M389 PolarHBondContact N-O 2.88Å; M389-I403 HydrophobicContact CE-CB 4.15Å; M389-I403 HydrophobicContact CE-CG2 3.64Å; M389-T405 HydrophobicContact CG-CG2 3.99Å; M389-T405 HydrophobicContact SD-CG2 4.07Å; M389-R409 HydrophobicContact CB-CB 3.86Å; M389-R409 HydrophobicContact CG-CB 4.05Å
390	F	98.4	Very high	97.2	Very high	36 Å²	36	38.7 Å²	38.7	16%	0.158	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.6	-167	-68	-76.6	0	0	0	112.8	D340 S341 P388 F398 T399 H400	D340-F390 HydrophobicContact CB-CB 4.28Å; D340-F390 HydrophobicContact CB-CD1 4.37Å; S341-F390 WeakPolarHBondContact O-CA 3.48Å; P388-F390 VanDerWaalsContact C-N 3.34Å; P388-F390 PolarHBondContact O-N 2.83Å; F390-F398 WeakPolarHBondContact O-CA 3.27Å; F390-T399 WeakPolarHBondContact CB-OG1 3.36Å; F390-T399 PolarHBondContact O-N 3.06Å; F390-H400 HydrophobicContact CD2-CB 4.09Å; F390-H400 AromaticContact CD2-CD2 3.54Å; F390-H400 AromaticContact CD2-CG 3.81Å
391	I	98.4	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.5	-179.6	-177.9	168.1	0	0	0	110.3	I320 D340 S341 V343 V346 V376 L379 F398	I320-I391 HydrophobicContact CD1-CD1 3.7Å; I320-I391 HydrophobicContact CG1-CD1 3.76Å; I320-I391 HydrophobicContact CG1-CG1 4.21Å; I320-I391 HydrophobicContact CG2-CD1 4.19Å; I320-I391 HydrophobicContact CG2-CG1 4.19Å; I320-I391 HydrophobicContact CG2-CG2 3.86Å; D340-I391 CarbonylContact C-O 3.51Å; D340-I391 WeakPolarHBondContact CA-O 3.29Å; S341-I391 PolarHBondContact N-O 3Å; S341-I391 PolarHBondContact O-N 3.33Å; V343-I391 HydrophobicContact CG2-CB 3.92Å; V343-I391 HydrophobicContact CG2-CG2 3.79Å; V346-I391 HydrophobicContact CG2-CG2 3.95Å; V376-I391 HydrophobicContact CG2-CD1 4.13Å; L379-I391 HydrophobicContact CD1-CD1 3.68Å; I391-F398 HydrophobicContact CB-CD1 4.17Å
392	N	98.4	Very high	97.2	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.107	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.1	-174.2	-173.7	-91.5	0	0	0	112.3	S339 D340 N394 S395 G396 Q397 T399	S339-N392 PolarHBondContact O-ND2 3.43Å; S339-N392 PolarHBondContact OG-ND2 3.33Å; D340-N392 WeakPolarHBondContact OD1-CA 3.5Å; D340-N392 WeakPolarHBondContact OD1-CB 3.28Å; D340-N392 PolarHBondContact OD1-ND2 2.65Å; N392-N394 PolarHBondContact O-N 3.33Å; N392-N394 WeakPolarHBondContact OD1-CA 2.86Å; N392-N394 VanDerWaalsContact OD1-CB 3.32Å; N392-N394 WeakPolarHBondContact OD1-CB 3.48Å; N392-N394 PolarHBondContact OD1-N 2.84Å; N392-S395 WeakPolarHBondContact CB-OG 3.34Å; N392-S395 PolarHBondContact OD1-N 3.01Å; N392-S395 PolarHBondContact OD1-OG 2.64Å; N392-G396 VanDerWaalsContact O-CA 3.27Å; N392-G396 WeakPolarHBondContact O-CA 3.28Å; N392-G396 PolarHBondContact O-N 3.01Å; N392-Q397 PolarHBondContact N-O 2.81Å; N392-T399 HydrophobicContact CB-CG2 4Å
393	T	97.8	Very high	97.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.4	-176.1	67.6	0	0	0	0	114.1	T316 S318 P321 Y322 S339 S341	T316-T393 PolarHBondContact OG1-O 2.92Å; S318-T393 WeakPolarHBondContact CB-O 3.08Å; S318-T393 PolarHBondContact N-O 3.13Å; S318-T393 VanDerWaalsContact OG-C 3.25Å; S318-T393 PolarHBondContact OG-O 3.15Å; P321-T393 WeakPolarHBondContact O-CG2 3.29Å; Y322-T393 HydrophobicContact CD1-CG2 3.88Å; Y322-T393 HydrophobicContact CE1-CG2 4.32Å; Y322-T393 VanDerWaalsContact CE1-OG1 3.22Å; Y322-T393 WeakPolarHBondContact CE1-OG1 3.36Å; S339-T393 PolarHBondContact O-N 3.13Å; S339-T393 PolarHBondContact O-OG1 2.88Å; S341-T393 VanDerWaalsContact OG-CG2 3.23Å; S341-T393 WeakPolarHBondContact OG-CG2 3.36Å
394	N	96.4	Very high	97.2	Very high	75 Å²	75	34.2 Å²	34.2	40%	0.401	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-44.4	179.4	-59.1	-47.9	0	0	0	112.2	S339 N392	S339-N394 VanDerWaalsContact CB-ND2 3.34Å; S339-N394 WeakPolarHBondContact CB-ND2 3.28Å; S339-N394 PolarHBondContact OG-ND2 3.24Å; N392-N394 PolarHBondContact O-N 3.33Å; N392-N394 WeakPolarHBondContact OD1-CA 2.86Å; N392-N394 VanDerWaalsContact OD1-CB 3.32Å; N392-N394 WeakPolarHBondContact OD1-CB 3.48Å; N392-N394 PolarHBondContact OD1-N 2.84Å
395	S	97.1	Very high	97.2	Very high	68 Å²	68	31.9 Å²	31.9	48%	0.476	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-16.3	-179	68.1	0	0	0	0	114.5	N392 Q397	N392-S395 WeakPolarHBondContact CB-OG 3.34Å; N392-S395 PolarHBondContact OD1-N 3.01Å; N392-S395 PolarHBondContact OD1-OG 2.64Å; S395-Q397 PolarHBondContact O-N 3Å; S395-Q397 PolarHBondContact OG-N 3.48Å
396	G	97.3	Very high	97.2	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.031	17%	0.167	C	C	.	.			trans	69.5	6.7	-172.9	0	0	0	0	0	114.2	L379 N392	L379-G396 WeakPolarHBondContact CD1-O 3.36Å; L379-G396 WeakPolarHBondContact CD2-O 3.33Å; N392-G396 VanDerWaalsContact O-CA 3.27Å; N392-G396 WeakPolarHBondContact O-CA 3.28Å; N392-G396 PolarHBondContact O-N 3.01Å
397	Q	98.1	Very high	97.1	Very high	96 Å²	96	31.9 Å²	31.9	45%	0.449	17%	0.167	S	C	.	.			trans	-94	148.5	-176.3	-59.1	-55.9	-61.9	0	0	111.9	N392 S395	N392-Q397 PolarHBondContact N-O 2.81Å; S395-Q397 PolarHBondContact O-N 3Å; S395-Q397 PolarHBondContact OG-N 3.48Å
398	F	98.3	Very high	97	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.044	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	141.1	168.9	-68.1	-55.4	0	0	0	111.5	V343 V376 L379 E380 K382 V387 P388 F390 I391 Q401	V343-F398 HydrophobicContact CG1-CE1 4.27Å; V343-F398 HydrophobicContact CG2-CD1 3.86Å; V343-F398 HydrophobicContact CG2-CE1 3.68Å; V376-F398 HydrophobicContact CG1-CZ 4.18Å; L379-F398 HydrophobicContact CB-CD2 3.82Å; L379-F398 HydrophobicContact CB-CE2 3.45Å; L379-F398 VanDerWaalsContact CB-CE2 3.45Å; L379-F398 HydrophobicContact CB-CZ 4.18Å; L379-F398 HydrophobicContact CD1-CD1 4.17Å; L379-F398 HydrophobicContact CD1-CD2 3.87Å; L379-F398 HydrophobicContact CD1-CE1 4.03Å; L379-F398 HydrophobicContact CD1-CE2 3.73Å; L379-F398 HydrophobicContact CD1-CG 4.09Å; L379-F398 HydrophobicContact CD1-CZ 3.81Å; L379-F398 HydrophobicContact CG-CD2 4.47Å; L379-F398 HydrophobicContact CG-CE2 4.25Å; E380-F398 WeakPolarHBondContact O-CD2 3.36Å; K382-F398 HydrophobicContact CG-CE2 4.01Å; V387-F398 HydrophobicContact CB-CE1 4.33Å; V387-F398 HydrophobicContact CB-CZ 4.12Å; V387-F398 HydrophobicContact CG1-CE1 4.39Å; V387-F398 HydrophobicContact CG1-CE2 4.47Å; V387-F398 HydrophobicContact CG1-CZ 3.77Å; P388-F398 HydrophobicContact CB-CB 4.19Å; P388-F398 HydrophobicContact CB-CD1 4.47Å; P388-F398 HydrophobicContact CB-CG 4.39Å; P388-F398 HydrophobicContact CG-CB 3.86Å; P388-F398 HydrophobicContact CG-CD1 4.4Å; P388-F398 HydrophobicContact CG-CD2 4.2Å; P388-F398 HydrophobicContact CG-CG 3.94Å; F390-F398 WeakPolarHBondContact O-CA 3.27Å; I391-F398 HydrophobicContact CB-CD1 4.17Å; F398-Q401 HydrophobicContact CB-CG 4.44Å
399	T	96.6	Very high	96.9	Very high	34 Å²	34	38.9 Å²	38.9	21%	0.209	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	174.2	169.2	66.2	0	0	0	0	109.4	D340 P388 F390 N392 Q401	D340-T399 VanDerWaalsContact CG-OG1 3.32Å; D340-T399 WeakPolarHBondContact OD2-CB 3.32Å; D340-T399 WeakPolarHBondContact OD2-CG2 3.41Å; D340-T399 PolarHBondContact OD2-OG1 2.92Å; P388-T399 WeakPolarHBondContact CB-O 3.42Å; F390-T399 WeakPolarHBondContact CB-OG1 3.36Å; F390-T399 PolarHBondContact O-N 3.06Å; N392-T399 HydrophobicContact CB-CG2 4Å; T399-Q401 PolarHBondContact O-N 3.33Å; T399-Q401 VanDerWaalsContact O-N 3.11Å
400	H	92.6	Very high	96.9	Very high	104 Å²	104	37.4 Å²	37.4	48%	0.481	20%	0.196	S	C	.	.	S	Bend	trans	53.4	32.8	-175.7	-66.3	-97	0	0	0	114.1	F390 I403	F390-H400 HydrophobicContact CD2-CB 4.09Å; F390-H400 AromaticContact CD2-CD2 3.54Å; F390-H400 AromaticContact CD2-CG 3.81Å; H400-I403 PolarHBondContact O-N 3.47Å
401	Q	92.2	Very high	96.9	Very high	104 Å²	104	36.7 Å²	36.7	49%	0.486	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	147.1	179.4	-69.3	-177.5	-23.8	0	0	112.3	P388 F398 T399 I403	P388-Q401 HydrophobicContact CG-CG 4.39Å; F398-Q401 HydrophobicContact CB-CG 4.44Å; T399-Q401 PolarHBondContact O-N 3.33Å; T399-Q401 VanDerWaalsContact O-N 3.11Å; Q401-I403 VanDerWaalsContact C-N 3.3Å
402	G	93.2	Very high	96.9	Very high	17 Å²	17	36.9 Å²	36.9	18%	0.175	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-1.9	-176.9	0	0	0	0	0	114.7	H463	G402-H463 PolarHBondContact O-N 2.98Å
403	I	97.6	Very high	97	Very high	45 Å²	45	36 Å²	36	23%	0.231	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119	171.3	-50.1	177.6	0	0	0	109	M389 H400 Q401 L461	M389-I403 HydrophobicContact CE-CB 4.15Å; M389-I403 HydrophobicContact CE-CG2 3.64Å; H400-I403 PolarHBondContact O-N 3.47Å; Q401-I403 VanDerWaalsContact C-N 3.3Å; I403-L461 CarbonylContact C-O 3.4Å; I403-L461 WeakPolarHBondContact CA-O 3.42Å
404	Y	98.4	Very high	97	Very high	22 Å²	22	36.1 Å²	36.1	9%	0.086	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132	-176.6	-50.2	-78.9	0	0	0	110.1	G381 L383 L386 P388 L461	G381-Y404 PolarHBondContact O-OH 2.83Å; L383-Y404 HydrophobicContact CB-CD1 4.32Å; L383-Y404 HydrophobicContact CB-CD2 4.15Å; L383-Y404 HydrophobicContact CB-CE1 3.82Å; L383-Y404 HydrophobicContact CB-CE2 3.6Å; L383-Y404 HydrophobicContact CB-CG 4.48Å; L383-Y404 VanDerWaalsContact CB-CZ 3.43Å; L383-Y404 HydrophobicContact CD2-CD2 3.79Å; L383-Y404 HydrophobicContact CD2-CE2 3.67Å; L383-Y404 HydrophobicContact CG-CE2 4.28Å; L386-Y404 HydrophobicContact CB-CD1 3.81Å; L386-Y404 HydrophobicContact CB-CG 4.2Å; L386-Y404 WeakPolarHBondContact O-CE1 3.11Å; P388-Y404 HydrophobicContact CG-CE1 4.12Å; Y404-L461 HydrophobicContact CD2-CB 4.44Å; Y404-L461 HydrophobicContact CD2-CD2 4.2Å; Y404-L461 PolarHBondContact N-O 3.11Å; Y404-L461 PolarHBondContact O-N 3.32Å
405	T	98.4	Very high	97.1	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	17%	0.172	C	C	.	.			trans	-140.5	159.4	175	-173.2	0	0	0	0	108.4	M389 G407 A410 E460	M389-T405 HydrophobicContact CG-CG2 3.99Å; M389-T405 HydrophobicContact SD-CG2 4.07Å; T405-G407 PolarHBondContact OG1-N 2.87Å; T405-G407 VanDerWaalsContact OG1-N 3.07Å; T405-A410 HydrophobicContact CG2-CB 4.24Å; T405-A410 VanDerWaalsContact O-CB 3.31Å; T405-A410 WeakPolarHBondContact O-CB 3.37Å; T405-E460 WeakPolarHBondContact CB-OE1 3.31Å; T405-E460 WeakPolarHBondContact OG1-CG 3.4Å; T405-E460 PolarHBondContact OG1-OE1 3.11Å
406	L	98.3	Very high	97.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.149	C	C	.	.	S	Bend	trans	-109.6	7.2	165.6	-104.6	75.7	0	0	0	112	L386 D411 Y414 V442 L446 V458 V474 L477	L386-L406 HydrophobicContact CD2-CD1 3.83Å; L406-D411 WeakPolarHBondContact O-CA 3.05Å; L406-D411 WeakPolarHBondContact O-CB 3.45Å; L406-Y414 HydrophobicContact CD1-CD2 4.07Å; L406-Y414 HydrophobicContact CD1-CE2 3.49Å; L406-Y414 VanDerWaalsContact CD1-CE2 3.49Å; L406-Y414 HydrophobicContact CD2-CD2 4.4Å; L406-Y414 HydrophobicContact CG-CD2 3.76Å; L406-Y414 HydrophobicContact CG-CE2 3.62Å; L406-V442 HydrophobicContact CD1-CG2 3.66Å; L406-V442 HydrophobicContact CD2-CG1 4.41Å; L406-V442 HydrophobicContact CD2-CG2 3.53Å; L406-V442 HydrophobicContact CG-CG2 4.26Å; L406-L446 HydrophobicContact CD1-CD1 3.68Å; L406-V458 HydrophobicContact CB-CG1 4.11Å; L406-V458 HydrophobicContact CD2-CG1 4.48Å; L406-V474 HydrophobicContact CB-CG1 4.03Å; L406-L477 HydrophobicContact CD2-CD1 4.08Å; L406-L477 HydrophobicContact CD2-CD2 3.66Å; L406-L477 HydrophobicContact CD2-CG 4.39Å
407	G	96.6	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-91.5	-150.4	170.1	0	0	0	0	0	111.1	T405 R409 A410 D411	T405-G407 PolarHBondContact OG1-N 2.87Å; T405-G407 VanDerWaalsContact OG1-N 3.07Å; G407-R409 PolarHBondContact O-N 2.96Å; G407-A410 PolarHBondContact O-N 2.92Å; G407-D411 PolarHBondContact O-N 3.35Å
408	A	95.8	Very high	97.3	Very high	43 Å²	43	24.8 Å²	24.8	36%	0.355	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	132.9	-173.2	0	0	0	0	0	111.8	D411 L473	A408-D411 VanDerWaalsContact CA-OD2 3.27Å; A408-D411 WeakPolarHBondContact CA-OD2 3.44Å; A408-D411 PolarHBondContact N-OD2 3.43Å; A408-L473 HydrophobicContact CB-CD1 3.56Å
409	R	97.6	Very high	97.4	Very high	104 Å²	104	24.3 Å²	24.3	39%	0.392	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-8.6	177.9	-55.1	177.5	-176.7	-71.8	-10	116.1	T342 A344 M389 G407	T342-R409 VanDerWaalsContact CG2-CA 3.48Å; T342-R409 HydrophobicContact CG2-CB 3.52Å; T342-R409 HydrophobicContact CG2-CG 3.72Å; T342-R409 PolarHBondContact OG1-NH1 3.06Å; A344-R409 VanDerWaalsContact CB-C 3.41Å; A344-R409 WeakPolarHBondContact CB-O 3.49Å; A344-R409 PolarHBondContact N-O 3.38Å; M389-R409 HydrophobicContact CB-CB 3.86Å; M389-R409 HydrophobicContact CG-CB 4.05Å; G407-R409 PolarHBondContact O-N 2.96Å
410	A	98.3	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.8	-26.9	-178.6	0	0	0	0	0	114.2	V387 T405 G407 S412 Y413 Y414	V387-A410 HydrophobicContact CG2-CB 4.38Å; T405-A410 HydrophobicContact CG2-CB 4.24Å; T405-A410 VanDerWaalsContact O-CB 3.31Å; T405-A410 WeakPolarHBondContact O-CB 3.37Å; G407-A410 PolarHBondContact O-N 2.92Å; A410-S412 PolarHBondContact O-N 2.85Å; A410-Y413 WeakPolarHBondContact O-CB 3.4Å; A410-Y413 PolarHBondContact O-N 2.86Å; A410-Y414 HydrophobicContact CB-CE2 4.11Å; A410-Y414 WeakPolarHBondContact O-CD2 3.3Å; A410-Y414 WeakPolarHBondContact O-CE2 3.33Å
411	D	98.4	Very high	97.8	Very high	21 Å²	21	18.6 Å²	18.6	11%	0.112	10%	0.095	C	C	.	.	H	α-helix	trans	-24.7	-77.7	164.5	36.2	24.2	0	0	0	115.7	L406 G407 A408 Y413 Y414 F476	L406-D411 WeakPolarHBondContact O-CA 3.05Å; L406-D411 WeakPolarHBondContact O-CB 3.45Å; G407-D411 PolarHBondContact O-N 3.35Å; A408-D411 VanDerWaalsContact CA-OD2 3.27Å; A408-D411 WeakPolarHBondContact CA-OD2 3.44Å; A408-D411 PolarHBondContact N-OD2 3.43Å; D411-Y413 VanDerWaalsContact C-N 3.25Å; D411-Y413 PolarHBondContact O-N 3.34Å; D411-Y414 WeakPolarHBondContact O-CD2 3.4Å; D411-Y414 PolarHBondContact O-N 3.41Å; D411-Y414 VanDerWaalsContact O-N 3.12Å; D411-F476 HydrophobicContact CB-CD1 4.2Å; D411-F476 HydrophobicContact CB-CE1 3.84Å; D411-F476 HydrophobicContact CB-CZ 4.39Å; D411-F476 VanDerWaalsContact O-CZ 3.23Å; D411-F476 WeakPolarHBondContact O-CZ 3.47Å
412	S	98.6	Very high	98.1	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.028	7%	0.073	C	C	.	.	H	α-helix	trans	-75.5	-8.4	-166	45.6	0	0	0	0	114.6	S348 A410 E415 Y416	S348-S412 VanDerWaalsContact OG-CB 3.28Å; S348-S412 WeakPolarHBondContact OG-CB 3.43Å; S348-S412 PolarHBondContact OG-O 3.33Å; S348-S412 PolarHBondContact OG-OG 3.18Å; A410-S412 PolarHBondContact O-N 2.85Å; S412-E415 WeakPolarHBondContact O-CB 3.37Å; S412-E415 PolarHBondContact O-N 3.42Å; S412-Y416 WeakPolarHBondContact O-CB 3.23Å; S412-Y416 PolarHBondContact O-N 2.98Å
413	Y	98.9	Very high	98.3	Very high	1 Å²	1	13 Å²	13	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-58	-49.9	164.3	163.3	-105.9	0	0	0	111	T347 M373 V376 V387 A410 D411 E415 Y416 L417	T347-Y413 HydrophobicContact CG2-CD2 3.87Å; T347-Y413 HydrophobicContact CG2-CE2 4.44Å; T347-Y413 VanDerWaalsContact OG1-CB 3.32Å; T347-Y413 WeakPolarHBondContact OG1-CB 3.2Å; T347-Y413 WeakPolarHBondContact OG1-CD2 3.35Å; M373-Y413 HydrophobicContact CE-CE2 4.47Å; V376-Y413 HydrophobicContact CG1-CD2 4.42Å; V376-Y413 HydrophobicContact CG1-CE2 3.6Å; V387-Y413 HydrophobicContact CB-CD1 4.39Å; V387-Y413 HydrophobicContact CB-CE1 4.22Å; V387-Y413 HydrophobicContact CG1-CD1 4.02Å; V387-Y413 HydrophobicContact CG1-CE1 3.4Å; V387-Y413 VanDerWaalsContact CG1-CE1 3.4Å; V387-Y413 HydrophobicContact CG1-CE2 4.33Å; V387-Y413 HydrophobicContact CG2-CD1 3.45Å; V387-Y413 VanDerWaalsContact CG2-CD1 3.45Å; V387-Y413 HydrophobicContact CG2-CE1 3.74Å; V387-Y413 HydrophobicContact CG2-CG 4.05Å; A410-Y413 WeakPolarHBondContact O-CB 3.4Å; A410-Y413 PolarHBondContact O-N 2.86Å; D411-Y413 VanDerWaalsContact C-N 3.25Å; D411-Y413 PolarHBondContact O-N 3.34Å; Y413-E415 VanDerWaalsContact C-N 3.29Å; Y413-E415 PolarHBondContact O-N 3.3Å; Y413-Y416 PolarHBondContact O-N 2.99Å; Y413-L417 HydrophobicContact CD1-CD1 4.34Å; Y413-L417 HydrophobicContact CD2-CG 4.5Å; Y413-L417 HydrophobicContact CE1-CD1 3.74Å; Y413-L417 HydrophobicContact CE2-CD1 4.06Å; Y413-L417 HydrophobicContact CE2-CD2 4.23Å; Y413-L417 HydrophobicContact CE2-CG 4.14Å; Y413-L417 WeakPolarHBondContact O-CG 3.43Å; Y413-L417 PolarHBondContact O-N 3.4Å
414	Y	98.9	Very high	98.4	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-67.6	-34.9	-177.7	-54	-71.8	0	0	0	111.3	L386 V387 L406 A410 D411 Y435 A438	L386-Y414 WeakPolarHBondContact CA-OH 3.24Å; L386-Y414 HydrophobicContact CD2-CE1 4.34Å; V387-Y414 HydrophobicContact CG2-CE1 4.4Å; V387-Y414 PolarHBondContact N-OH 3.43Å; L406-Y414 HydrophobicContact CD1-CD2 4.07Å; L406-Y414 HydrophobicContact CD1-CE2 3.49Å; L406-Y414 VanDerWaalsContact CD1-CE2 3.49Å; L406-Y414 HydrophobicContact CD2-CD2 4.4Å; L406-Y414 HydrophobicContact CG-CD2 3.76Å; L406-Y414 HydrophobicContact CG-CE2 3.62Å; A410-Y414 HydrophobicContact CB-CE2 4.11Å; A410-Y414 WeakPolarHBondContact O-CD2 3.3Å; A410-Y414 WeakPolarHBondContact O-CE2 3.33Å; D411-Y414 WeakPolarHBondContact O-CD2 3.4Å; D411-Y414 PolarHBondContact O-N 3.41Å; D411-Y414 VanDerWaalsContact O-N 3.12Å; Y414-Y435 WeakPolarHBondContact O-CD2 3.38Å; Y414-A438 HydrophobicContact CD1-CB 3.57Å; Y414-A438 HydrophobicContact CE1-CB 3.7Å
415	E	98.9	Very high	98.3	Very high	3 Å²	3	11.3 Å²	11.3	1%	0.014	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-50.8	173.2	-165.1	-156.9	130.1	0	0	111.8	S412 Y413 L417 L418 K419 F476 T635	S412-E415 WeakPolarHBondContact O-CB 3.37Å; S412-E415 PolarHBondContact O-N 3.42Å; Y413-E415 VanDerWaalsContact C-N 3.29Å; Y413-E415 PolarHBondContact O-N 3.3Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 2.91Å; E415-L418 PolarHBondContact O-N 2.67Å; E415-K419 HydrophobicContact CG-CD 3.74Å; E415-K419 HydrophobicContact CG-CG 4.34Å; E415-K419 WeakPolarHBondContact O-CB 3.48Å; E415-K419 WeakPolarHBondContact O-CG 3.42Å; E415-K419 PolarHBondContact O-N 3.39Å; E415-K419 VanDerWaalsContact OE1-CD 3.25Å; E415-K419 WeakPolarHBondContact OE1-CD 3.25Å; E415-K419 WeakPolarHBondContact OE1-CE 3.46Å; E415-K419 IonicContact OE1-NZ 2.99Å; E415-K419 PolarHBondContact OE1-NZ 3.3Å; E415-F476 HydrophobicContact CB-CD2 4.02Å; E415-F476 HydrophobicContact CB-CE2 3.76Å; E415-F476 HydrophobicContact CG-CD2 4.12Å; E415-F476 HydrophobicContact CG-CE2 4.33Å; E415-T635 WeakPolarHBondContact OE1-CA 3.41Å; E415-T635 WeakPolarHBondContact OE1-CB 3.48Å; E415-T635 PolarHBondContact OE2-OG1 2.78Å
416	Y	98.9	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-73.8	-22	-175.5	-91.2	-134.2	0	0	0	113.4	T347 S348 Q350 L351 E352 S412 Y413 Q420 N634 T635	T347-Y416 VanDerWaalsContact O-CB 3.28Å; T347-Y416 WeakPolarHBondContact O-CB 3.4Å; S348-Y416 VanDerWaalsContact CA-CD1 3.41Å; S348-Y416 WeakPolarHBondContact O-CE1 3.48Å; Q350-Y416 HydrophobicContact CB-CD1 4.3Å; L351-Y416 HydrophobicContact CB-CE1 4Å; L351-Y416 HydrophobicContact CD1-CD1 4.14Å; L351-Y416 HydrophobicContact CD1-CD2 4.25Å; L351-Y416 HydrophobicContact CD1-CE1 3.75Å; L351-Y416 HydrophobicContact CD1-CE2 3.81Å; L351-Y416 HydrophobicContact CD1-CG 4.41Å; L351-Y416 HydrophobicContact CG-CD1 3.85Å; L351-Y416 HydrophobicContact CG-CE1 3.62Å; L351-Y416 HydrophobicContact CG-CG 4.46Å; E352-Y416 PolarHBondContact OE1-OH 3.39Å; S412-Y416 WeakPolarHBondContact O-CB 3.23Å; S412-Y416 PolarHBondContact O-N 2.98Å; Y413-Y416 PolarHBondContact O-N 2.99Å; Y416-Q420 WeakPolarHBondContact O-CB 3.15Å; Y416-Q420 WeakPolarHBondContact O-CG 3.41Å; Y416-Q420 PolarHBondContact O-N 2.97Å; Y416-Q420 PolarHBondContact O-NE2 3.28Å; Y416-N634 VanDerWaalsContact OH-CB 3.31Å; Y416-N634 WeakPolarHBondContact OH-CB 3.31Å; Y416-T635 HydrophobicContact CE2-CG2 3.91Å; Y416-T635 PolarHBondContact OH-N 3.48Å; Y416-T635 VanDerWaalsContact OH-N 3.09Å
417	L	98.9	Very high	98.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-57.5	-53.4	165.7	-73.6	172.5	0	0	0	110.8	M373 Y413 E415 W421 L431 D434 Y435	M373-L417 HydrophobicContact CE-CD2 3.61Å; M373-L417 HydrophobicContact CE-CG 4.49Å; Y413-L417 HydrophobicContact CD1-CD1 4.34Å; Y413-L417 HydrophobicContact CD2-CG 4.5Å; Y413-L417 HydrophobicContact CE1-CD1 3.74Å; Y413-L417 HydrophobicContact CE2-CD1 4.06Å; Y413-L417 HydrophobicContact CE2-CD2 4.23Å; Y413-L417 HydrophobicContact CE2-CG 4.14Å; Y413-L417 WeakPolarHBondContact O-CG 3.43Å; Y413-L417 PolarHBondContact O-N 3.4Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 2.91Å; L417-W421 PolarHBondContact O-N 3.32Å; L417-L431 HydrophobicContact CD2-CD2 3.92Å; L417-D434 HydrophobicContact CD1-CB 3.93Å; L417-D434 HydrophobicContact CD2-CB 3.87Å; L417-Y435 HydrophobicContact CB-CD2 4.47Å
418	L	98.9	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66	-49.9	178.8	179.1	68.8	0	0	0	111.6	E415 Q420 W421 I422 Y435 T480 L483 L489	E415-L418 PolarHBondContact O-N 2.67Å; L418-Q420 VanDerWaalsContact C-N 3.35Å; L418-Q420 PolarHBondContact O-N 2.93Å; L418-W421 HydrophobicContact CD1-CE3 3.95Å; L418-W421 HydrophobicContact CD1-CZ3 4.21Å; L418-W421 PolarHBondContact O-N 2.87Å; L418-I422 HydrophobicContact CD1-CD1 4.15Å; L418-I422 HydrophobicContact CD1-CG1 4.49Å; L418-I422 HydrophobicContact CD2-CD1 4.39Å; L418-I422 HydrophobicContact CG-CD1 3.89Å; L418-I422 WeakPolarHBondContact O-CG1 3.22Å; L418-I422 PolarHBondContact O-N 3.43Å; L418-Y435 HydrophobicContact CB-CD2 3.83Å; L418-Y435 HydrophobicContact CB-CE2 3.81Å; L418-Y435 HydrophobicContact CB-CG 4.23Å; L418-Y435 HydrophobicContact CD1-CD1 4.28Å; L418-Y435 HydrophobicContact CD1-CE1 4.1Å; L418-Y435 HydrophobicContact CD2-CE2 4.34Å; L418-T480 HydrophobicContact CD2-CG2 3.78Å; L418-T480 WeakPolarHBondContact CD2-O 3.42Å; L418-L483 HydrophobicContact CD2-CB 4.35Å; L418-L483 HydrophobicContact CD2-CD2 4.25Å; L418-L483 HydrophobicContact CD2-CG 4.24Å; L418-L489 HydrophobicContact CD1-CD1 3.65Å
419	K	98.9	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.9	-34.9	-173.8	-71.1	-175.3	172.4	-178.1	0	112.2	L351 E415 I422 Q423 L483 E549 V632 F633 N634	L351-K419 HydrophobicContact CD1-CB 3.94Å; L351-K419 HydrophobicContact CD1-CD 4.44Å; L351-K419 HydrophobicContact CD2-CB 4.35Å; E415-K419 HydrophobicContact CG-CD 3.74Å; E415-K419 HydrophobicContact CG-CG 4.34Å; E415-K419 WeakPolarHBondContact O-CB 3.48Å; E415-K419 WeakPolarHBondContact O-CG 3.42Å; E415-K419 PolarHBondContact O-N 3.39Å; E415-K419 VanDerWaalsContact OE1-CD 3.25Å; E415-K419 WeakPolarHBondContact OE1-CD 3.25Å; E415-K419 WeakPolarHBondContact OE1-CE 3.46Å; E415-K419 IonicContact OE1-NZ 2.99Å; E415-K419 PolarHBondContact OE1-NZ 3.3Å; K419-I422 PolarHBondContact O-N 2.83Å; K419-Q423 WeakPolarHBondContact O-CB 3.29Å; K419-Q423 PolarHBondContact O-N 2.97Å; K419-L483 HydrophobicContact CG-CD2 4.28Å; K419-E549 IonicContact NZ-OE1 3.76Å; K419-V632 HydrophobicContact CB-CG2 3.66Å; K419-V632 HydrophobicContact CD-CG2 4.01Å; K419-V632 HydrophobicContact CG-CG2 3.65Å; K419-F633 WeakPolarHBondContact CD-O 3.33Å; K419-F633 VanDerWaalsContact CE-O 3.22Å; K419-F633 WeakPolarHBondContact CE-O 3.48Å; K419-F633 PolarHBondContact NZ-O 3.11Å; K419-N634 PolarHBondContact NZ-O 3.49Å
420	Q	98.9	Very high	98.2	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-67.5	-42.5	172.1	-75.6	175	85.6	0	0	112.4	Q350 L351 Y416 L418 I422 Q423 G424 L431	Q350-Q420 HydrophobicContact CB-CG 3.85Å; Q350-Q420 VanDerWaalsContact CG-OE1 3.28Å; L351-Q420 HydrophobicContact CD2-CB 4.32Å; L351-Q420 HydrophobicContact CD2-CG 3.78Å; L351-Q420 HydrophobicContact CG-CG 4.39Å; Y416-Q420 WeakPolarHBondContact O-CB 3.15Å; Y416-Q420 WeakPolarHBondContact O-CG 3.41Å; Y416-Q420 PolarHBondContact O-N 2.97Å; Y416-Q420 PolarHBondContact O-NE2 3.28Å; L418-Q420 VanDerWaalsContact C-N 3.35Å; L418-Q420 PolarHBondContact O-N 2.93Å; Q420-I422 VanDerWaalsContact C-N 3.28Å; Q420-I422 PolarHBondContact O-N 3.06Å; Q420-Q423 PolarHBondContact O-N 3.28Å; Q420-G424 PolarHBondContact O-N 3.29Å; Q420-L431 HydrophobicContact CB-CD1 3.54Å
421	W	98.8	Very high	98.2	Very high	16 Å²	16	27 Å²	27	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-41.1	175.4	171.2	78	0	0	0	111.3	L417 L418 K426 L431 L432 N487 L489	L417-W421 PolarHBondContact O-N 3.32Å; L418-W421 HydrophobicContact CD1-CE3 3.95Å; L418-W421 HydrophobicContact CD1-CZ3 4.21Å; L418-W421 PolarHBondContact O-N 2.87Å; W421-K426 HydrophobicContact CD2-CB 4.33Å; W421-K426 HydrophobicContact CD2-CG 4.22Å; W421-K426 HydrophobicContact CE3-CG 4.33Å; W421-K426 HydrophobicContact CH2-CB 4.25Å; W421-K426 HydrophobicContact CH2-CD 3.7Å; W421-K426 HydrophobicContact CH2-CG 3.83Å; W421-K426 HydrophobicContact CZ2-CB 3.58Å; W421-K426 HydrophobicContact CZ2-CD 3.88Å; W421-K426 HydrophobicContact CZ2-CG 3.68Å; W421-K426 HydrophobicContact CZ3-CD 4.26Å; W421-K426 HydrophobicContact CZ3-CG 4.16Å; W421-K426 PolarHBondContact NE1-O 2.86Å; W421-K426 WeakPolarHBondContact O-CA 3.47Å; W421-K426 PolarHBondContact O-N 3.21Å; W421-L431 HydrophobicContact CB-CB 4.13Å; W421-L432 HydrophobicContact CD2-CB 4.37Å; W421-L432 HydrophobicContact CD2-CD1 4.46Å; W421-L432 HydrophobicContact CG-CB 4.13Å; W421-L432 HydrophobicContact CZ2-CD2 3.91Å; W421-N487 HydrophobicContact CH2-CB 4.45Å; W421-N487 HydrophobicContact CZ3-CB 3.97Å; W421-L489 HydrophobicContact CH2-CD2 3.95Å; W421-L489 HydrophobicContact CZ3-CD2 4.2Å; W421-L489 HydrophobicContact CZ3-CG 4.46Å
422	I	98.7	Very high	98.2	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-52	172.6	-65.6	170.2	0	0	0	110.6	L418 K419 Q420 G424 G425 L483 N487 V632 I642	L418-I422 HydrophobicContact CD1-CD1 4.15Å; L418-I422 HydrophobicContact CD1-CG1 4.49Å; L418-I422 HydrophobicContact CD2-CD1 4.39Å; L418-I422 HydrophobicContact CG-CD1 3.89Å; L418-I422 WeakPolarHBondContact O-CG1 3.22Å; L418-I422 PolarHBondContact O-N 3.43Å; K419-I422 PolarHBondContact O-N 2.83Å; Q420-I422 VanDerWaalsContact C-N 3.28Å; Q420-I422 PolarHBondContact O-N 3.06Å; I422-G424 VanDerWaalsContact C-N 3.31Å; I422-G424 PolarHBondContact O-N 3.44Å; I422-G425 PolarHBondContact O-N 3.06Å; I422-L483 HydrophobicContact CD1-CD1 4.08Å; I422-L483 HydrophobicContact CD1-CD2 3.9Å; I422-L483 HydrophobicContact CD1-CG 3.72Å; I422-N487 HydrophobicContact CD1-CB 4.34Å; I422-N487 HydrophobicContact CG1-CB 4.45Å; I422-V632 HydrophobicContact CG2-CB 4.42Å; I422-I642 HydrophobicContact CG2-CD1 3.52Å; I422-I642 HydrophobicContact CG2-CG1 3.93Å; I422-I642 WeakPolarHBondContact O-CG2 3.47Å
423	Q	98.7	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-54.5	-44.9	-179.7	-167	-166.4	49	0	0	112.1	L351 K419 Q420 G425 V632 W643	L351-Q423 HydrophobicContact CD2-CB 3.87Å; L351-Q423 HydrophobicContact CD2-CG 4.27Å; L351-Q423 PolarHBondContact O-NE2 3.12Å; K419-Q423 WeakPolarHBondContact O-CB 3.29Å; K419-Q423 PolarHBondContact O-N 2.97Å; Q420-Q423 PolarHBondContact O-N 3.28Å; Q423-G425 PolarHBondContact O-N 3.4Å; Q423-V632 HydrophobicContact CB-CG1 4.03Å; Q423-V632 HydrophobicContact CG-CG1 4.27Å; Q423-W643 VanDerWaalsContact O-CB 3.27Å; Q423-W643 WeakPolarHBondContact O-CB 3.29Å; Q423-W643 VanDerWaalsContact O-CG 3.32Å; Q423-W643 PolarHBondContact O-N 3.04Å
424	G	98	Very high	98.2	Very high	11 Å²	11	33 Å²	33	11%	0.113	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	13.5	178.1	0	0	0	0	0	115.4	Q420 I422 K426	Q420-G424 PolarHBondContact O-N 3.29Å; I422-G424 VanDerWaalsContact C-N 3.31Å; I422-G424 PolarHBondContact O-N 3.44Å; G424-K426 VanDerWaalsContact C-N 3.33Å; G424-K426 PolarHBondContact O-N 3.45Å
425	G	97.3	Very high	98.2	Very high	21 Å²	21	32.9 Å²	32.9	22%	0.216	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	30.8	179.5	0	0	0	0	0	113.4	I422 Q423 K427	I422-G425 PolarHBondContact O-N 3.06Å; Q423-G425 PolarHBondContact O-N 3.4Å; G425-K427 PolarHBondContact O-N 3.26Å
426	K	97.3	Very high	98.2	Very high	87 Å²	87	35.3 Å²	35.3	38%	0.378	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	25.8	176.5	-55.7	-178.9	-177.2	-176	0	115.8	W421 G424 N487	W421-K426 HydrophobicContact CD2-CB 4.33Å; W421-K426 HydrophobicContact CD2-CG 4.22Å; W421-K426 HydrophobicContact CE3-CG 4.33Å; W421-K426 HydrophobicContact CH2-CB 4.25Å; W421-K426 HydrophobicContact CH2-CD 3.7Å; W421-K426 HydrophobicContact CH2-CG 3.83Å; W421-K426 HydrophobicContact CZ2-CB 3.58Å; W421-K426 HydrophobicContact CZ2-CD 3.88Å; W421-K426 HydrophobicContact CZ2-CG 3.68Å; W421-K426 HydrophobicContact CZ3-CD 4.26Å; W421-K426 HydrophobicContact CZ3-CG 4.16Å; W421-K426 PolarHBondContact NE1-O 2.86Å; W421-K426 WeakPolarHBondContact O-CA 3.47Å; W421-K426 PolarHBondContact O-N 3.21Å; G424-K426 VanDerWaalsContact C-N 3.33Å; G424-K426 PolarHBondContact O-N 3.45Å; K426-N487 WeakPolarHBondContact CE-OD1 3.15Å; K426-N487 PolarHBondContact NZ-O 2.79Å; K426-N487 PolarHBondContact NZ-OD1 3.42Å
427	K	95.1	Very high	98.2	Very high	120 Å²	120	40 Å²	40	52%	0.522	20%	0.198	S	C	.	.			trans	-99.7	-16.9	-174.3	-62.2	-177.1	-178.8	-177.1	0	115.5	G425 N429	G425-K427 PolarHBondContact O-N 3.26Å; K427-N429 PolarHBondContact O-N 3.33Å
428	E	96.7	Very high	98.2	Very high	66 Å²	66	39.9 Å²	39.9	31%	0.308	20%	0.197	S	C	.	.			trans	-93.3	78.8	-172.4	-72.6	165.7	92.6	0	0	111.3	R354 Q430 L431	R354-E428 IonicContact CZ-OE1 2.63Å; R354-E428 IonicContact CZ-OE2 3.18Å; R354-E428 IonicContact NH1-OE1 2.77Å; R354-E428 PolarHBondContact NH1-OE1 3.34Å; R354-E428 IonicContact NH1-OE2 3.72Å; R354-E428 PolarHBondContact NH1-OE2 3.45Å; R354-E428 IonicContact NH2-OE1 3.43Å; R354-E428 IonicContact NH2-OE2 2.82Å; R354-E428 PolarHBondContact NH2-OE2 2.94Å; E428-Q430 VanDerWaalsContact C-N 3.28Å; E428-Q430 PolarHBondContact O-N 3.05Å; E428-L431 HydrophobicContact CB-CD1 3.72Å; E428-L431 HydrophobicContact CB-CG 4.23Å; E428-L431 HydrophobicContact CG-CD1 4.48Å; E428-L431 WeakPolarHBondContact O-CB 3.39Å; E428-L431 PolarHBondContact O-N 3.07Å; E428-L431 VanDerWaalsContact O-N 3.13Å
429	N	96.6	Very high	98.2	Very high	96 Å²	96	40 Å²	40	51%	0.513	20%	0.198	S	C	.	.	H	α-helix	trans	-56.4	-34.3	-171.1	-68.3	-3.8	0	0	0	114.6	K427 L431 L432 E433	K427-N429 PolarHBondContact O-N 3.33Å; N429-L431 VanDerWaalsContact C-N 3.27Å; N429-L431 PolarHBondContact O-N 3.04Å; N429-L432 CarbonylContact O-C 3.52Å; N429-L432 WeakPolarHBondContact O-CB 3.45Å; N429-L432 PolarHBondContact O-N 3.13Å; N429-E433 WeakPolarHBondContact O-CB 3.42Å; N429-E433 WeakPolarHBondContact O-CG 3.44Å; N429-E433 PolarHBondContact O-N 2.96Å
430	Q	98	Very high	98.2	Very high	98 Å²	98	44.8 Å²	44.8	46%	0.458	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-36.3	179.1	-72.6	177.2	-23.8	0	0	112.9	E428 L432 E433 D434	E428-Q430 VanDerWaalsContact C-N 3.28Å; E428-Q430 PolarHBondContact O-N 3.05Å; Q430-L432 VanDerWaalsContact C-N 3.35Å; Q430-E433 PolarHBondContact O-N 3.24Å; Q430-D434 WeakPolarHBondContact O-CB 3.4Å; Q430-D434 PolarHBondContact O-N 3.31Å
431	L	98.7	Very high	98.1	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-38.6	176.4	-63	172.4	0	0	0	111.3	M373 L417 Q420 W421 E428 N429 Y435	M373-L431 HydrophobicContact CE-CD2 3.82Å; L417-L431 HydrophobicContact CD2-CD2 3.92Å; Q420-L431 HydrophobicContact CB-CD1 3.54Å; W421-L431 HydrophobicContact CB-CB 4.13Å; E428-L431 HydrophobicContact CB-CD1 3.72Å; E428-L431 HydrophobicContact CB-CG 4.23Å; E428-L431 HydrophobicContact CG-CD1 4.48Å; E428-L431 WeakPolarHBondContact O-CB 3.39Å; E428-L431 PolarHBondContact O-N 3.07Å; E428-L431 VanDerWaalsContact O-N 3.13Å; N429-L431 VanDerWaalsContact C-N 3.27Å; N429-L431 PolarHBondContact O-N 3.04Å; L431-Y435 WeakPolarHBondContact O-CB 3.3Å; L431-Y435 PolarHBondContact O-N 3.29Å
432	L	98.6	Very high	98.1	Very high	30 Å²	30	43.9 Å²	43.9	16%	0.157	22%	0.217	C	C	.	.	H	α-helix	trans	-69.8	-41.2	176.2	175.3	60.8	0	0	0	112	W421 N429 Q430 Y435 L436 L489	W421-L432 HydrophobicContact CD2-CB 4.37Å; W421-L432 HydrophobicContact CD2-CD1 4.46Å; W421-L432 HydrophobicContact CG-CB 4.13Å; W421-L432 HydrophobicContact CZ2-CD2 3.91Å; N429-L432 CarbonylContact O-C 3.52Å; N429-L432 WeakPolarHBondContact O-CB 3.45Å; N429-L432 PolarHBondContact O-N 3.13Å; Q430-L432 VanDerWaalsContact C-N 3.35Å; L432-Y435 PolarHBondContact O-N 2.94Å; L432-L436 HydrophobicContact CD1-CD1 3.84Å; L432-L436 HydrophobicContact CD1-CD2 4.48Å; L432-L436 HydrophobicContact CD1-CG 3.86Å; L432-L436 HydrophobicContact CG-CD1 3.93Å; L432-L436 HydrophobicContact CG-CG 4.36Å; L432-L436 WeakPolarHBondContact O-CB 3.44Å; L432-L436 VanDerWaalsContact O-CG 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.35Å; L432-L436 PolarHBondContact O-N 2.92Å; L432-L489 HydrophobicContact CD1-CD1 3.92Å; L432-L489 HydrophobicContact CD1-CD2 3.43Å; L432-L489 VanDerWaalsContact CD1-CD2 3.43Å; L432-L489 HydrophobicContact CD1-CG 4.35Å; L432-L489 HydrophobicContact CD2-CD2 4.49Å
433	E	98.6	Very high	98.1	Very high	108 Å²	108	45.9 Å²	45.9	51%	0.505	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-49.6	177	-73.7	164.2	-160.5	0	0	111	N429 Q430 Y435 L436 Q437	N429-E433 WeakPolarHBondContact O-CB 3.42Å; N429-E433 WeakPolarHBondContact O-CG 3.44Å; N429-E433 PolarHBondContact O-N 2.96Å; Q430-E433 PolarHBondContact O-N 3.24Å; E433-Y435 VanDerWaalsContact C-N 3.33Å; E433-Y435 PolarHBondContact O-N 3.42Å; E433-L436 PolarHBondContact O-N 2.8Å; E433-Q437 WeakPolarHBondContact O-CB 3.38Å; E433-Q437 PolarHBondContact O-N 3.5Å
434	D	98.8	Very high	98.1	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.064	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-38.6	175.5	-85.6	27	0	0	0	111.6	H377 K382 L417 Q430 A438	H377-D434 IonicContact CE1-OD1 2.69Å; H377-D434 PolarHBondContact CE1-OD1 3.04Å; H377-D434 IonicContact ND1-OD1 2.69Å; H377-D434 PolarHBondContact ND1-OD1 2.82Å; H377-D434 IonicContact ND1-OD2 2.75Å; H377-D434 PolarHBondContact ND1-OD2 2.82Å; K382-D434 IonicContact NZ-OD2 3.26Å; K382-D434 PolarHBondContact NZ-OD2 2.9Å; L417-D434 HydrophobicContact CD1-CB 3.93Å; L417-D434 HydrophobicContact CD2-CB 3.87Å; Q430-D434 WeakPolarHBondContact O-CB 3.4Å; Q430-D434 PolarHBondContact O-N 3.31Å; D434-A438 VanDerWaalsContact O-CB 3.3Å; D434-A438 WeakPolarHBondContact O-CB 3.28Å; D434-A438 PolarHBondContact O-N 3.17Å
435	Y	98.9	Very high	98.2	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-51.8	176.4	176.4	-101.3	0	0	0	112.2	Y414 L417 L418 L431 L432 E433 Q437 A438 I439 T480 L489	Y414-Y435 WeakPolarHBondContact O-CD2 3.38Å; L417-Y435 HydrophobicContact CB-CD2 4.47Å; L418-Y435 HydrophobicContact CB-CD2 3.83Å; L418-Y435 HydrophobicContact CB-CE2 3.81Å; L418-Y435 HydrophobicContact CB-CG 4.23Å; L418-Y435 HydrophobicContact CD1-CD1 4.28Å; L418-Y435 HydrophobicContact CD1-CE1 4.1Å; L418-Y435 HydrophobicContact CD2-CE2 4.34Å; L431-Y435 WeakPolarHBondContact O-CB 3.3Å; L431-Y435 PolarHBondContact O-N 3.29Å; L432-Y435 PolarHBondContact O-N 2.94Å; E433-Y435 VanDerWaalsContact C-N 3.33Å; E433-Y435 PolarHBondContact O-N 3.42Å; Y435-Q437 VanDerWaalsContact C-N 3.31Å; Y435-Q437 PolarHBondContact O-N 3.42Å; Y435-A438 PolarHBondContact O-N 2.94Å; Y435-I439 HydrophobicContact CD1-CG1 4.32Å; Y435-I439 HydrophobicContact CD2-CG1 4.27Å; Y435-I439 HydrophobicContact CE1-CG1 3.88Å; Y435-I439 HydrophobicContact CE2-CD1 3.96Å; Y435-I439 HydrophobicContact CE2-CG1 3.83Å; Y435-I439 WeakPolarHBondContact O-CG1 3.34Å; Y435-I439 PolarHBondContact O-N 3.33Å; Y435-T480 HydrophobicContact CE2-CG2 4.03Å; Y435-L489 HydrophobicContact CD1-CD1 3.71Å; Y435-L489 HydrophobicContact CE1-CD1 3.44Å; Y435-L489 VanDerWaalsContact CE1-CD1 3.44Å
436	L	98.8	Very high	98.2	Very high	54 Å²	54	52.7 Å²	52.7	28%	0.283	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-41.8	179.8	-71.5	173.6	0	0	0	110.9	L432 E433 I439 E440 L489 P490	L432-L436 HydrophobicContact CD1-CD1 3.84Å; L432-L436 HydrophobicContact CD1-CD2 4.48Å; L432-L436 HydrophobicContact CD1-CG 3.86Å; L432-L436 HydrophobicContact CG-CD1 3.93Å; L432-L436 HydrophobicContact CG-CG 4.36Å; L432-L436 WeakPolarHBondContact O-CB 3.44Å; L432-L436 VanDerWaalsContact O-CG 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.35Å; L432-L436 PolarHBondContact O-N 2.92Å; E433-L436 PolarHBondContact O-N 2.8Å; L436-I439 PolarHBondContact O-N 2.53Å; L436-E440 PolarHBondContact O-N 2.84Å; L436-E440 VanDerWaalsContact O-N 3.11Å; L436-L489 HydrophobicContact CD2-CD1 4.35Å; L436-P490 HydrophobicContact CD2-CG 4.4Å
437	Q	98.7	Very high	98.3	Very high	97 Å²	97	50.2 Å²	50.2	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-59.4	-49.4	174.6	-167.9	-175.8	38.7	0	0	111	D384 E433 Y435 I439 E440 G441	D384-Q437 CarbonylContact O-C 3.55Å; E433-Q437 WeakPolarHBondContact O-CB 3.38Å; E433-Q437 PolarHBondContact O-N 3.5Å; Y435-Q437 VanDerWaalsContact C-N 3.31Å; Y435-Q437 PolarHBondContact O-N 3.42Å; Q437-I439 PolarHBondContact O-N 1.98Å; Q437-E440 PolarHBondContact O-N 2.58Å; Q437-G441 PolarHBondContact O-N 3.35Å
438	A	98.8	Very high	98.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-40.5	-179.8	0	0	0	0	0	113.2	Y414 D434 Y435 G441 V442	Y414-A438 HydrophobicContact CD1-CB 3.57Å; Y414-A438 HydrophobicContact CE1-CB 3.7Å; D434-A438 VanDerWaalsContact O-CB 3.3Å; D434-A438 WeakPolarHBondContact O-CB 3.28Å; D434-A438 PolarHBondContact O-N 3.17Å; Y435-A438 PolarHBondContact O-N 2.94Å; A438-G441 CarbonylContact O-C 3.59Å; A438-G441 WeakPolarHBondContact O-CA 3.43Å; A438-G441 PolarHBondContact O-N 2.86Å; A438-G441 VanDerWaalsContact O-N 3.11Å; A438-V442 WeakPolarHBondContact O-CG2 3.17Å; A438-V442 PolarHBondContact O-N 3.39Å
439	I	98.8	Very high	98.5	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-38.2	176.6	-64.5	-52.4	0	0	0	111.7	Y435 L436 Q437 G441 V442 K443 L477 L481	Y435-I439 HydrophobicContact CD1-CG1 4.32Å; Y435-I439 HydrophobicContact CD2-CG1 4.27Å; Y435-I439 HydrophobicContact CE1-CG1 3.88Å; Y435-I439 HydrophobicContact CE2-CD1 3.96Å; Y435-I439 HydrophobicContact CE2-CG1 3.83Å; Y435-I439 WeakPolarHBondContact O-CG1 3.34Å; Y435-I439 PolarHBondContact O-N 3.33Å; L436-I439 PolarHBondContact O-N 2.53Å; Q437-I439 PolarHBondContact O-N 1.98Å; I439-G441 VanDerWaalsContact C-N 3.32Å; I439-V442 WeakPolarHBondContact O-CB 3.33Å; I439-V442 PolarHBondContact O-N 2.72Å; I439-K443 HydrophobicContact CG2-CD 4.49Å; I439-K443 WeakPolarHBondContact O-CG 3.44Å; I439-K443 PolarHBondContact O-N 3.44Å; I439-L477 HydrophobicContact CD1-CD1 3.96Å; I439-L481 HydrophobicContact CD1-CD2 3.88Å; I439-L481 HydrophobicContact CG1-CD2 4.15Å; I439-L481 HydrophobicContact CG2-CD2 3.85Å
440	E	98.7	Very high	98.6	Very high	100 Å²	100	46.8 Å²	46.8	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-64.4	-37.6	169.8	-68.5	-53.4	122.1	0	0	111.8	L436 Q437 V442 K443 K444	L436-E440 PolarHBondContact O-N 2.84Å; L436-E440 VanDerWaalsContact O-N 3.11Å; Q437-E440 PolarHBondContact O-N 2.58Å; E440-V442 PolarHBondContact O-N 3.02Å; E440-K443 PolarHBondContact O-N 2.95Å; E440-K443 WeakPolarHBondContact OE1-CD 3.33Å; E440-K443 IonicContact OE1-NZ 3.58Å; E440-K443 PolarHBondContact OE1-NZ 3.29Å; E440-K444 WeakPolarHBondContact O-CB 3.29Å; E440-K444 PolarHBondContact O-N 3.41Å
441	G	98.7	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-42.3	171.1	0	0	0	0	0	113.5	D384 Q437 A438 I439 N445	D384-G441 VanDerWaalsContact O-CA 3.27Å; D384-G441 WeakPolarHBondContact O-CA 3.46Å; Q437-G441 PolarHBondContact O-N 3.35Å; A438-G441 CarbonylContact O-C 3.59Å; A438-G441 WeakPolarHBondContact O-CA 3.43Å; A438-G441 PolarHBondContact O-N 2.86Å; A438-G441 VanDerWaalsContact O-N 3.11Å; I439-G441 VanDerWaalsContact C-N 3.32Å; G441-N445 VanDerWaalsContact O-CB 3.31Å; G441-N445 WeakPolarHBondContact O-CB 3.27Å; G441-N445 PolarHBondContact O-N 3.3Å; G441-N445 PolarHBondContact O-ND2 3.14Å
442	V	98.8	Very high	98.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-53.1	173.1	174.2	0	0	0	0	110.4	L386 L406 A438 I439 E440 K444 N445 L446 L447 V458 L477	L386-V442 HydrophobicContact CD2-CG2 3.79Å; L406-V442 HydrophobicContact CD1-CG2 3.66Å; L406-V442 HydrophobicContact CD2-CG1 4.41Å; L406-V442 HydrophobicContact CD2-CG2 3.53Å; L406-V442 HydrophobicContact CG-CG2 4.26Å; A438-V442 WeakPolarHBondContact O-CG2 3.17Å; A438-V442 PolarHBondContact O-N 3.39Å; I439-V442 WeakPolarHBondContact O-CB 3.33Å; I439-V442 PolarHBondContact O-N 2.72Å; E440-V442 PolarHBondContact O-N 3.02Å; V442-K444 VanDerWaalsContact C-N 3.28Å; V442-K444 PolarHBondContact O-N 2.61Å; V442-N445 PolarHBondContact O-N 2.94Å; V442-L446 HydrophobicContact CG1-CB 4.49Å; V442-L446 HydrophobicContact CG2-CD1 4.48Å; V442-L446 PolarHBondContact O-N 2.94Å; V442-L447 HydrophobicContact CG1-CD2 4.18Å; V442-L447 HydrophobicContact CG1-CG 4.28Å; V442-L447 PolarHBondContact O-N 2.73Å; V442-L447 VanDerWaalsContact O-N 3.13Å; V442-V458 HydrophobicContact CG1-CG1 4.37Å; V442-V458 HydrophobicContact CG1-CG2 4.33Å; V442-L477 HydrophobicContact CG1-CD2 4.36Å
443	K	98.6	Very high	98.4	Very high	45 Å²	45	49.4 Å²	49.4	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-56	-42.6	-179.6	-70.9	171.1	-169.6	167.8	0	112.1	I439 E440 L447 D492 H493 L496	I439-K443 HydrophobicContact CG2-CD 4.49Å; I439-K443 WeakPolarHBondContact O-CG 3.44Å; I439-K443 PolarHBondContact O-N 3.44Å; E440-K443 PolarHBondContact O-N 2.95Å; E440-K443 WeakPolarHBondContact OE1-CD 3.33Å; E440-K443 IonicContact OE1-NZ 3.58Å; E440-K443 PolarHBondContact OE1-NZ 3.29Å; K443-L447 HydrophobicContact CB-CD1 4.33Å; K443-L447 HydrophobicContact CG-CD1 4.13Å; K443-D492 WeakPolarHBondContact CE-OD2 3.4Å; K443-D492 IonicContact NZ-OD1 3.24Å; K443-D492 IonicContact NZ-OD2 3.38Å; K443-D492 PolarHBondContact NZ-OD2 3.4Å; K443-H493 PolarHBondContact NZ-NE2 3.18Å; K443-L496 HydrophobicContact CG-CD2 4.12Å
444	K	98.5	Very high	98.4	Very high	139 Å²	139	45.8 Å²	45.8	60%	0.604	23%	0.234	S	C	*	.	H	α-helix	trans	-76.2	-41.8	-176.6	179.5	-177	168.9	-162.2	0	113.8	D384 E440 V442	D384-K444 IonicContact OD1-NZ 3.57Å; D384-K444 PolarHBondContact OD1-NZ 3.17Å; D384-K444 WeakPolarHBondContact OD2-CD 3.32Å; D384-K444 WeakPolarHBondContact OD2-CE 3.25Å; D384-K444 IonicContact OD2-NZ 2.71Å; D384-K444 PolarHBondContact OD2-NZ 3.08Å; E440-K444 WeakPolarHBondContact O-CB 3.29Å; E440-K444 PolarHBondContact O-N 3.41Å; V442-K444 VanDerWaalsContact C-N 3.28Å; V442-K444 PolarHBondContact O-N 2.61Å
445	N	98.5	Very high	98.4	Very high	36 Å²	36	45.6 Å²	45.6	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-112.5	-23.9	-165.3	-59.4	-71.9	0	0	0	114.5	L383 D384 L386 G441 V442	L383-N445 HydrophobicContact CD2-CB 4.44Å; D384-N445 PolarHBondContact OD2-ND2 3.43Å; L386-N445 HydrophobicContact CD1-CB 4.13Å; G441-N445 VanDerWaalsContact O-CB 3.31Å; G441-N445 WeakPolarHBondContact O-CB 3.27Å; G441-N445 PolarHBondContact O-N 3.3Å; G441-N445 PolarHBondContact O-ND2 3.14Å; V442-N445 PolarHBondContact O-N 2.94Å
446	L	98.7	Very high	98.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-17	-167.9	-57	179.9	0	0	0	114.7	L386 L406 V442 V458 G459 L461 F466	L386-L446 HydrophobicContact CD1-CD1 3.78Å; L386-L446 HydrophobicContact CD1-CD2 4.48Å; L386-L446 HydrophobicContact CD1-CG 3.95Å; L386-L446 HydrophobicContact CD2-CD1 3.84Å; L386-L446 HydrophobicContact CG-CD1 4.47Å; L406-L446 HydrophobicContact CD1-CD1 3.68Å; V442-L446 HydrophobicContact CG1-CB 4.49Å; V442-L446 HydrophobicContact CG2-CD1 4.48Å; V442-L446 PolarHBondContact O-N 2.94Å; L446-V458 HydrophobicContact CB-CG1 3.96Å; L446-V458 HydrophobicContact CD1-CG1 4.39Å; L446-G459 PolarHBondContact O-N 2.68Å; L446-L461 HydrophobicContact CD2-CB 3.71Å; L446-F466 WeakPolarHBondContact O-CE2 3.44Å
447	L	98.6	Very high	98.4	Very high	35 Å²	35	43.3 Å²	43.3	18%	0.183	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133.1	175.5	-67.3	-173.1	0	0	0	112.6	V442 K443 V456 F457 V458 L496 L500	V442-L447 HydrophobicContact CG1-CD2 4.18Å; V442-L447 HydrophobicContact CG1-CG 4.28Å; V442-L447 PolarHBondContact O-N 2.73Å; V442-L447 VanDerWaalsContact O-N 3.13Å; K443-L447 HydrophobicContact CB-CD1 4.33Å; K443-L447 HydrophobicContact CG-CD1 4.13Å; L447-V456 HydrophobicContact CD1-CG1 4.45Å; L447-V456 HydrophobicContact CD2-CG1 4.07Å; L447-F457 WeakPolarHBondContact CA-O 3.01Å; L447-V458 HydrophobicContact CD2-CG2 3.79Å; L447-L496 HydrophobicContact CD1-CD1 3.56Å; L447-L496 HydrophobicContact CD1-CD2 4.01Å; L447-L496 HydrophobicContact CD1-CG 4.46Å; L447-L496 HydrophobicContact CD2-CD1 4.19Å; L447-L500 HydrophobicContact CD2-CD2 4.31Å
448	Q	98.5	Very high	98.4	Very high	82 Å²	82	38.8 Å²	38.8	38%	0.383	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	171.3	170.7	-74.4	-60.2	-29.8	0	0	110.8	V456 F457 F466 M524	Q448-V456 WeakPolarHBondContact O-CA 3.42Å; Q448-F457 HydrophobicContact CB-CD1 4.4Å; Q448-F457 HydrophobicContact CB-CE1 3.66Å; Q448-F457 HydrophobicContact CB-CE2 4.13Å; Q448-F457 HydrophobicContact CB-CZ 3.5Å; Q448-F457 HydrophobicContact CG-CZ 4.49Å; Q448-F457 PolarHBondContact N-O 2.67Å; Q448-F457 VanDerWaalsContact N-O 3.08Å; Q448-F457 WeakPolarHBondContact O-CD1 3.29Å; Q448-F457 PolarHBondContact O-N 3.29Å; Q448-F466 HydrophobicContact CB-CE1 4.09Å; Q448-F466 HydrophobicContact CB-CZ 3.78Å; Q448-F466 HydrophobicContact CG-CD1 4.13Å; Q448-F466 HydrophobicContact CG-CD2 4.32Å; Q448-F466 HydrophobicContact CG-CE1 3.52Å; Q448-F466 HydrophobicContact CG-CE2 3.72Å; Q448-F466 HydrophobicContact CG-CG 4.49Å; Q448-F466 HydrophobicContact CG-CZ 3.27Å; Q448-M524 HydrophobicContact CB-CE 3.84Å; Q448-M524 HydrophobicContact CB-SD 4.32Å; Q448-M524 HydrophobicContact CG-CE 3.65Å; Q448-M524 HydrophobicContact CG-SD 4.36Å; Q448-M524 VanDerWaalsContact OE1-CE 3.32Å
449	K	98.5	Very high	98.4	Very high	118 Å²	118	38.9 Å²	38.9	51%	0.513	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.3	174.4	-61.8	-161.3	-179.4	-138.1	0	111.7	L455 V456 E499	K449-L455 CarbonylContact C-O 3.56Å; K449-L455 VanDerWaalsContact CA-O 3.3Å; K449-L455 WeakPolarHBondContact CA-O 3.33Å; K449-V456 HydrophobicContact CD-CG2 4.19Å; K449-V456 HydrophobicContact CG-CG2 4.13Å; K449-E499 IonicContact NZ-OE1 2.67Å; K449-E499 PolarHBondContact NZ-OE1 2.82Å
450	S	98.5	Very high	98.4	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.063	21%	0.21	C	C	.	.			trans	-77.6	172.3	177.6	72.5	0	0	0	0	113.3	G454 L455 N523 D531	S450-G454 WeakPolarHBondContact O-CA 3.49Å; S450-G454 PolarHBondContact O-N 3.09Å; S450-G454 VanDerWaalsContact O-N 3.12Å; S450-L455 PolarHBondContact N-O 2.99Å; S450-L455 VanDerWaalsContact OG-CB 3.24Å; S450-L455 WeakPolarHBondContact OG-CB 3.44Å; S450-L455 WeakPolarHBondContact OG-CG 3.49Å; S450-L455 PolarHBondContact OG-N 3.17Å; S450-N523 CarbonylContact C-O 3.57Å; S450-N523 VanDerWaalsContact CA-O 3.22Å; S450-N523 WeakPolarHBondContact CA-O 3.34Å; S450-D531 WeakPolarHBondContact CB-OD1 3.27Å; S450-D531 PolarHBondContact OG-OD1 3.23Å
451	S	97.3	Very high	98.3	Very high	21 Å²	21	36.7 Å²	36.7	15%	0.147	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	134.6	169.4	-159.3	0	0	0	0	109.1	N523 H525 S528 R530 D531	S451-N523 PolarHBondContact N-O 3.35Å; S451-H525 VanDerWaalsContact CB-O 3.32Å; S451-H525 WeakPolarHBondContact CB-O 3.31Å; S451-H525 PolarHBondContact OG-O 2.92Å; S451-S528 WeakPolarHBondContact O-CB 3.5Å; S451-R530 CarbonylContact O-C 3.58Å; S451-D531 VanDerWaalsContact C-OD1 3.3Å; S451-D531 WeakPolarHBondContact O-CA 3.37Å
452	P	96.3	Very high	98.3	Very high	68 Å²	68	39 Å²	39	44%	0.442	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.8	-16.9	15.3	34.3	-34.9	0	0	0	116	S528	P452-S528 WeakPolarHBondContact CD-O 3.33Å
453	N	97.1	Very high	98.2	Very high	110 Å²	110	45.5 Å²	45.5	59%	0.588	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.8	-163.8	-66	-55	0	0	0	115.2	L455 D531	N453-L455 VanDerWaalsContact C-N 3.33Å; N453-L455 HydrophobicContact CB-CD2 4.28Å; N453-L455 HydrophobicContact CB-CG 4.27Å; N453-L455 PolarHBondContact O-N 2.95Å; N453-D531 WeakPolarHBondContact CB-OD2 3.33Å; N453-D531 PolarHBondContact N-OD1 3.43Å; N453-D531 PolarHBondContact ND2-OD2 2.98Å
454	G	97.8	Very high	98	Very high	31 Å²	31	46.4 Å²	46.4	32%	0.32	26%	0.26	S	S	.	.			trans	71.2	24.5	174.5	0	0	0	0	0	114.5	S450 V456	S450-G454 WeakPolarHBondContact O-CA 3.49Å; S450-G454 PolarHBondContact O-N 3.09Å; S450-G454 VanDerWaalsContact O-N 3.12Å; G454-V456 PolarHBondContact O-N 3.32Å
455	L	98.6	Very high	97.9	Very high	8 Å²	8	47 Å²	47	4%	0.042	27%	0.265	C	S	.	.			trans	-61.9	128.8	-179.5	-53.6	179.7	0	0	0	109.8	K449 S450 N453 T503 Q506 F522 D531	K449-L455 CarbonylContact C-O 3.56Å; K449-L455 VanDerWaalsContact CA-O 3.3Å; K449-L455 WeakPolarHBondContact CA-O 3.33Å; S450-L455 PolarHBondContact N-O 2.99Å; S450-L455 VanDerWaalsContact OG-CB 3.24Å; S450-L455 WeakPolarHBondContact OG-CB 3.44Å; S450-L455 WeakPolarHBondContact OG-CG 3.49Å; S450-L455 PolarHBondContact OG-N 3.17Å; N453-L455 VanDerWaalsContact C-N 3.33Å; N453-L455 HydrophobicContact CB-CD2 4.28Å; N453-L455 HydrophobicContact CB-CG 4.27Å; N453-L455 PolarHBondContact O-N 2.95Å; L455-T503 HydrophobicContact CB-CG2 4.29Å; L455-Q506 HydrophobicContact CD1-CB 3.74Å; L455-Q506 HydrophobicContact CD1-CG 3.86Å; L455-Q506 HydrophobicContact CD2-CG 3.98Å; L455-F522 HydrophobicContact CD1-CE1 4.47Å; L455-D531 HydrophobicContact CD1-CB 3.83Å
456	V	98.8	Very high	97.9	Very high	7 Å²	7	48 Å²	48	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.7	174.8	-179.7	0	0	0	0	108.6	L447 Q448 K449 G454 L496 E499 L500 T503	L447-V456 HydrophobicContact CD1-CG1 4.45Å; L447-V456 HydrophobicContact CD2-CG1 4.07Å; Q448-V456 WeakPolarHBondContact O-CA 3.42Å; K449-V456 HydrophobicContact CD-CG2 4.19Å; K449-V456 HydrophobicContact CG-CG2 4.13Å; G454-V456 PolarHBondContact O-N 3.32Å; V456-L496 HydrophobicContact CG1-CD1 4.08Å; V456-E499 HydrophobicContact CB-CB 4.04Å; V456-E499 HydrophobicContact CG2-CB 4.07Å; V456-E499 HydrophobicContact CG2-CG 4.31Å; V456-E499 WeakPolarHBondContact CG2-OE1 3.32Å; V456-L500 HydrophobicContact CG1-CD2 4.04Å; V456-L500 WeakPolarHBondContact O-CD2 3.5Å; V456-T503 VanDerWaalsContact O-CB 3.24Å; V456-T503 WeakPolarHBondContact O-CB 3.38Å; V456-T503 WeakPolarHBondContact O-CG2 3.21Å; V456-T503 PolarHBondContact O-OG1 2.95Å
457	F	98.9	Very high	97.9	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.4	179.8	73.4	-90.3	0	0	0	111	L447 Q448 F466 P468 M470 T503 F522 M524	L447-F457 WeakPolarHBondContact CA-O 3.01Å; Q448-F457 HydrophobicContact CB-CD1 4.4Å; Q448-F457 HydrophobicContact CB-CE1 3.66Å; Q448-F457 HydrophobicContact CB-CE2 4.13Å; Q448-F457 HydrophobicContact CB-CZ 3.5Å; Q448-F457 HydrophobicContact CG-CZ 4.49Å; Q448-F457 PolarHBondContact N-O 2.67Å; Q448-F457 VanDerWaalsContact N-O 3.08Å; Q448-F457 WeakPolarHBondContact O-CD1 3.29Å; Q448-F457 PolarHBondContact O-N 3.29Å; F457-F466 AromaticContact CE2-CE1 3.99Å; F457-F466 HydrophobicContact CE2-CE1 3.99Å; F457-F466 AromaticContact CE2-CZ 3.7Å; F457-F466 HydrophobicContact CE2-CZ 3.7Å; F457-F466 HydrophobicContact CZ-CE1 4.03Å; F457-F466 HydrophobicContact CZ-CZ 4.06Å; F457-P468 HydrophobicContact CE2-CB 3.92Å; F457-P468 HydrophobicContact CZ-CB 3.84Å; F457-M470 HydrophobicContact CB-SD 3.98Å; F457-T503 HydrophobicContact CB-CG2 4.07Å; F457-F522 HydrophobicContact CB-CD1 4.38Å; F457-F522 HydrophobicContact CB-CD2 3.68Å; F457-F522 HydrophobicContact CB-CE1 4.23Å; F457-F522 HydrophobicContact CB-CE2 3.5Å; F457-F522 HydrophobicContact CB-CG 4.12Å; F457-F522 HydrophobicContact CB-CZ 3.81Å; F457-F522 HydrophobicContact CD1-CB 3.75Å; F457-F522 HydrophobicContact CD1-CD1 4.03Å; F457-F522 AromaticContact CD1-CD2 3.92Å; F457-F522 HydrophobicContact CD1-CD2 3.92Å; F457-F522 AromaticContact CD1-CG 3.62Å; F457-F522 HydrophobicContact CD1-CG 3.62Å; F457-F522 HydrophobicContact CD2-CB 4.13Å; F457-F522 AromaticContact CD2-CD2 3.38Å; F457-F522 HydrophobicContact CD2-CD2 3.38Å; F457-F522 AromaticContact CD2-CE2 3.99Å; F457-F522 HydrophobicContact CD2-CE2 3.99Å; F457-F522 AromaticContact CD2-CG 3.91Å; F457-F522 HydrophobicContact CD2-CG 3.91Å; F457-F522 HydrophobicContact CE1-CB 3.5Å; F457-F522 VanDerWaalsContact CE1-CB 3.5Å; F457-F522 HydrophobicContact CE1-CD2 4.41Å; F457-F522 AromaticContact CE1-CG 3.94Å; F457-F522 HydrophobicContact CE1-CG 3.94Å; F457-F522 HydrophobicContact CE2-CB 3.92Å; F457-F522 AromaticContact CE2-CD2 3.95Å; F457-F522 HydrophobicContact CE2-CD2 3.95Å; F457-F522 HydrophobicContact CE2-CG 4.21Å; F457-F522 HydrophobicContact CG-CB 4.06Å; F457-F522 HydrophobicContact CG-CD1 4.2Å; F457-F522 AromaticContact CG-CD2 3.37Å; F457-F522 HydrophobicContact CG-CD2 3.37Å; F457-F522 AromaticContact CG-CE2 3.78Å; F457-F522 HydrophobicContact CG-CE2 3.78Å; F457-F522 AromaticContact CG-CG 3.6Å; F457-F522 HydrophobicContact CG-CG 3.6Å; F457-F522 HydrophobicContact CG-CZ 4.35Å; F457-F522 HydrophobicContact CZ-CB 3.59Å; F457-F522 HydrophobicContact CZ-CD2 4.42Å; F457-F522 HydrophobicContact CZ-CG 4.22Å; F457-M524 HydrophobicContact CE1-CG 4.19Å; F457-M524 HydrophobicContact CZ-CG 4.03Å; F457-M524 HydrophobicContact CZ-SD 3.92Å
458	V	98.9	Very high	97.9	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.8	175.7	-176	0	0	0	0	107.9	L406 V442 L446 L447 M470 V474 L477 L500	L406-V458 HydrophobicContact CB-CG1 4.11Å; L406-V458 HydrophobicContact CD2-CG1 4.48Å; V442-V458 HydrophobicContact CG1-CG1 4.37Å; V442-V458 HydrophobicContact CG1-CG2 4.33Å; L446-V458 HydrophobicContact CB-CG1 3.96Å; L446-V458 HydrophobicContact CD1-CG1 4.39Å; L447-V458 HydrophobicContact CD2-CG2 3.79Å; V458-M470 WeakPolarHBondContact O-CB 3.45Å; V458-M470 WeakPolarHBondContact O-CG 3.46Å; V458-V474 HydrophobicContact CB-CG1 3.85Å; V458-V474 HydrophobicContact CG1-CG1 4.14Å; V458-V474 HydrophobicContact CG2-CG1 4.12Å; V458-L477 HydrophobicContact CG2-CD2 3.93Å; V458-L500 HydrophobicContact CG2-CD1 4.22Å; V458-L500 HydrophobicContact CG2-CD2 3.95Å
459	G	98.6	Very high	97.9	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.021	28%	0.275	C	S	.	.			trans	-92.9	-170.6	172.8	0	0	0	0	0	113.4	L446 S467 K469	L446-G459 PolarHBondContact O-N 2.68Å; G459-S467 WeakPolarHBondContact CA-O 3.25Å; G459-K469 WeakPolarHBondContact CA-O 3.42Å
460	E	98.7	Very high	98	Very high	39 Å²	39	42.7 Å²	42.7	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	154.9	172.8	-57.2	-175.1	139.1	0	0	110.9	T405 S467 K469	T405-E460 WeakPolarHBondContact CB-OE1 3.31Å; T405-E460 WeakPolarHBondContact OG1-CG 3.4Å; T405-E460 PolarHBondContact OG1-OE1 3.11Å; E460-S467 PolarHBondContact N-O 2.67Å; E460-S467 PolarHBondContact O-N 2.87Å; E460-K469 VanDerWaalsContact CD-NZ 3.26Å; E460-K469 IonicContact OE1-NZ 2.73Å; E460-K469 PolarHBondContact OE1-NZ 3.21Å; E460-K469 VanDerWaalsContact OE2-CD 3.3Å; E460-K469 WeakPolarHBondContact OE2-CD 3.38Å; E460-K469 IonicContact OE2-NZ 3.5Å; E460-K469 PolarHBondContact OE2-NZ 2.69Å
461	L	98.4	Very high	98	Very high	18 Å²	18	42.9 Å²	42.9	9%	0.094	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.9	174.7	-166.4	76	0	0	0	110.3	L383 I403 Y404 L446 F466	L383-L461 HydrophobicContact CD2-CD2 3.41Å; L383-L461 VanDerWaalsContact CD2-CD2 3.41Å; I403-L461 CarbonylContact C-O 3.4Å; I403-L461 WeakPolarHBondContact CA-O 3.42Å; Y404-L461 HydrophobicContact CD2-CB 4.44Å; Y404-L461 HydrophobicContact CD2-CD2 4.2Å; Y404-L461 PolarHBondContact N-O 3.11Å; Y404-L461 PolarHBondContact O-N 3.32Å; L446-L461 HydrophobicContact CD2-CB 3.71Å; L461-F466 HydrophobicContact CD1-CB 4.44Å
462	S	97.7	Very high	98	Very high	49 Å²	49	42 Å²	42	34%	0.343	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	112.8	173.9	178.9	0	0	0	0	110	G464 Q465	S462-G464 PolarHBondContact O-N 3.4Å; S462-Q465 PolarHBondContact N-O 3.18Å; S462-Q465 WeakPolarHBondContact O-CB 3.39Å; S462-Q465 PolarHBondContact O-N 3.48Å
463	H	96	Very high	98.2	Very high	137 Å²	137	40 Å²	40	63%	0.634	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	39	177.8	-52.7	78.1	0	0	0	112.9	G402 Q465	G402-H463 PolarHBondContact O-N 2.98Å; H463-Q465 VanDerWaalsContact C-N 3.3Å; H463-Q465 PolarHBondContact O-N 3.12Å
464	G	94.8	Very high	98.2	Very high	64 Å²	64	35 Å²	35	66%	0.66	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-0.2	-176.2	0	0	0	0	0	115.3	S462	S462-G464 PolarHBondContact O-N 3.4Å
465	Q	97.8	Very high	98.3	Very high	150 Å²	150	33.5 Å²	33.5	70%	0.701	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94	121.6	173.4	-57.2	-173.3	0.1	0	0	110.3	S462 H463	S462-Q465 PolarHBondContact N-O 3.18Å; S462-Q465 WeakPolarHBondContact O-CB 3.39Å; S462-Q465 PolarHBondContact O-N 3.48Å; H463-Q465 VanDerWaalsContact C-N 3.3Å; H463-Q465 PolarHBondContact O-N 3.12Å
466	F	98.5	Very high	98.3	Very high	58 Å²	58	33.4 Å²	33.4	25%	0.254	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.7	175.7	-176.3	-93.8	0	0	0	111.3	L446 Q448 F457 L461 P468 M524	L446-F466 WeakPolarHBondContact O-CE2 3.44Å; Q448-F466 HydrophobicContact CB-CE1 4.09Å; Q448-F466 HydrophobicContact CB-CZ 3.78Å; Q448-F466 HydrophobicContact CG-CD1 4.13Å; Q448-F466 HydrophobicContact CG-CD2 4.32Å; Q448-F466 HydrophobicContact CG-CE1 3.52Å; Q448-F466 HydrophobicContact CG-CE2 3.72Å; Q448-F466 HydrophobicContact CG-CG 4.49Å; Q448-F466 HydrophobicContact CG-CZ 3.27Å; F457-F466 AromaticContact CE2-CE1 3.99Å; F457-F466 HydrophobicContact CE2-CE1 3.99Å; F457-F466 AromaticContact CE2-CZ 3.7Å; F457-F466 HydrophobicContact CE2-CZ 3.7Å; F457-F466 HydrophobicContact CZ-CE1 4.03Å; F457-F466 HydrophobicContact CZ-CZ 4.06Å; L461-F466 HydrophobicContact CD1-CB 4.44Å; F466-P468 HydrophobicContact CE1-CB 4.02Å; F466-M524 HydrophobicContact CD1-SD 4.18Å; F466-M524 HydrophobicContact CE1-CE 4.42Å; F466-M524 HydrophobicContact CE1-SD 3.77Å
467	S	98.4	Very high	98.3	Very high	43 Å²	43	33.1 Å²	33.1	30%	0.301	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123	174.7	174	0	0	0	0	108.7	G459 E460 K469	G459-S467 WeakPolarHBondContact CA-O 3.25Å; E460-S467 PolarHBondContact N-O 2.67Å; E460-S467 PolarHBondContact O-N 2.87Å; S467-K469 PolarHBondContact O-N 3.13Å
468	P	98.5	Very high	98.3	Very high	39 Å²	39	33.2 Å²	33.2	25%	0.253	19%	0.187	S	C	.	.			trans	-77.8	27.1	179.6	34.8	-37.4	0	0	0	113.3	F457 F466 H521 F522 M524	F457-P468 HydrophobicContact CE2-CB 3.92Å; F457-P468 HydrophobicContact CZ-CB 3.84Å; F466-P468 HydrophobicContact CE1-CB 4.02Å; P468-H521 CarbonylContact O-C 3.38Å; P468-H521 WeakPolarHBondContact O-CA 3.37Å; P468-F522 HydrophobicContact CB-CB 4.3Å; P468-F522 VanDerWaalsContact CB-O 3.27Å; P468-F522 WeakPolarHBondContact CB-O 3.48Å; P468-F522 WeakPolarHBondContact CG-O 3.4Å; P468-F522 PolarHBondContact O-N 3.2Å; P468-M524 HydrophobicContact CB-SD 4.05Å
469	K	98.7	Very high	98.3	Very high	38 Å²	38	33.1 Å²	33.1	17%	0.165	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.7	171.9	170	172.4	166.1	-62.4	0	108.9	G459 E460 S467 D471 I519 V520	G459-K469 WeakPolarHBondContact CA-O 3.42Å; E460-K469 VanDerWaalsContact CD-NZ 3.26Å; E460-K469 IonicContact OE1-NZ 2.73Å; E460-K469 PolarHBondContact OE1-NZ 3.21Å; E460-K469 VanDerWaalsContact OE2-CD 3.3Å; E460-K469 WeakPolarHBondContact OE2-CD 3.38Å; E460-K469 IonicContact OE2-NZ 3.5Å; E460-K469 PolarHBondContact OE2-NZ 2.69Å; S467-K469 PolarHBondContact O-N 3.13Å; K469-D471 WeakPolarHBondContact CE-OD1 3.41Å; K469-D471 VanDerWaalsContact NZ-CG 3.29Å; K469-D471 IonicContact NZ-OD1 3.15Å; K469-D471 PolarHBondContact NZ-OD1 2.93Å; K469-D471 IonicContact NZ-OD2 2.79Å; K469-D471 PolarHBondContact NZ-OD2 2.73Å; K469-I519 HydrophobicContact CD-CG2 3.97Å; K469-I519 HydrophobicContact CG-CG2 3.61Å; K469-V520 WeakPolarHBondContact CA-O 3.23Å
470	M	98.8	Very high	98.3	Very high	3 Å²	3	33 Å²	33	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.5	170.1	-173.7	176	167.7	0	0	108.1	F457 V458 V474 M507 V520 F522	F457-M470 HydrophobicContact CB-SD 3.98Å; V458-M470 WeakPolarHBondContact O-CB 3.45Å; V458-M470 WeakPolarHBondContact O-CG 3.46Å; M470-V474 HydrophobicContact CE-CB 3.76Å; M470-V474 HydrophobicContact CE-CG1 3.88Å; M470-V474 HydrophobicContact CG-CB 3.93Å; M470-V474 HydrophobicContact CG-CG1 4.38Å; M470-V474 HydrophobicContact CG-CG2 3.99Å; M470-M507 HydrophobicContact CE-SD 4.27Å; M470-M507 HydrophobicContact SD-SD 4.28Å; M470-V520 HydrophobicContact CB-CG2 3.92Å; M470-V520 PolarHBondContact N-O 3.06Å; M470-V520 WeakPolarHBondContact O-CG2 3.32Å; M470-V520 PolarHBondContact O-N 3.13Å; M470-F522 HydrophobicContact CB-CD2 4.31Å; M470-F522 HydrophobicContact CB-CE2 3.84Å; M470-F522 HydrophobicContact CG-CE2 4.44Å; M470-F522 HydrophobicContact SD-CE2 3.78Å; M470-F522 HydrophobicContact SD-CZ 4.35Å
471	D	98.8	Very high	98.4	Very high	14 Å²	14	31.2 Å²	31.2	8%	0.075	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	150.4	172.9	-60.9	-13.8	0	0	0	108.9	K469 L473 V474 E518	K469-D471 WeakPolarHBondContact CE-OD1 3.41Å; K469-D471 VanDerWaalsContact NZ-CG 3.29Å; K469-D471 IonicContact NZ-OD1 3.15Å; K469-D471 PolarHBondContact NZ-OD1 2.93Å; K469-D471 IonicContact NZ-OD2 2.79Å; K469-D471 PolarHBondContact NZ-OD2 2.73Å; D471-L473 HydrophobicContact CB-CB 4.25Å; D471-L473 HydrophobicContact CB-CG 4.5Å; D471-L473 PolarHBondContact O-N 3.32Å; D471-V474 HydrophobicContact CB-CG2 4.26Å; D471-V474 WeakPolarHBondContact O-CB 3.03Å; D471-V474 VanDerWaalsContact O-CG2 3.29Å; D471-V474 WeakPolarHBondContact O-CG2 3.31Å; D471-V474 PolarHBondContact O-N 3.48Å; D471-E518 CarbonylContact C-O 3.41Å; D471-E518 WeakPolarHBondContact CA-O 3.39Å
472	H	98.9	Very high	98.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-57.9	-32.8	173.5	-179.3	-99.4	0	0	0	111.9	V474 C475 Y508 S516 E518 R544 E546 T547	H472-V474 PolarHBondContact O-N 3.13Å; H472-V474 VanDerWaalsContact O-N 3.13Å; H472-C475 WeakPolarHBondContact O-CB 3Å; H472-C475 PolarHBondContact O-N 3.16Å; H472-Y508 AromaticContact CD2-CE2 3.95Å; H472-Y508 PolarHBondContact NE2-OH 3.07Å; H472-S516 PolarHBondContact CD2-OG 2.9Å; H472-E518 PolarHBondContact N-O 3.04Å; H472-R544 WeakPolarHBondContact CE1-CB 3.34Å; H472-R544 WeakPolarHBondContact CE1-CD 3.19Å; H472-R544 PolarHBondContact NE2-O 3.11Å; H472-E546 IonicContact CE1-OE1 3.85Å; H472-E546 IonicContact CE1-OE2 3.42Å; H472-E546 PolarHBondContact CE1-OE2 2.89Å; H472-E546 IonicContact CG-OE2 3.85Å; H472-E546 IonicContact ND1-OE2 2.83Å; H472-E546 PolarHBondContact ND1-OE2 3.11Å; H472-E546 PolarHBondContact NE2-N 3.42Å; H472-E546 IonicContact NE2-OE2 3.42Å; H472-E546 PolarHBondContact NE2-OE2 3.08Å; H472-T547 PolarHBondContact NE2-N 3.43Å
473	L	98.7	Very high	98.4	Very high	27 Å²	27	28.2 Å²	28.2	14%	0.141	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-46.6	-41.2	172.6	-62.2	173.1	0	0	0	112.3	A408 D471 C475 F476 E546	A408-L473 HydrophobicContact CB-CD1 3.56Å; D471-L473 HydrophobicContact CB-CB 4.25Å; D471-L473 HydrophobicContact CB-CG 4.5Å; D471-L473 PolarHBondContact O-N 3.32Å; L473-C475 PolarHBondContact O-N 3.14Å; L473-F476 VanDerWaalsContact O-CD1 3.3Å; L473-F476 WeakPolarHBondContact O-CD1 3.23Å; L473-F476 PolarHBondContact O-N 3.4Å; L473-E546 VanDerWaalsContact CD2-OE1 3.3Å; L473-E546 WeakPolarHBondContact CD2-OE1 3.48Å
474	V	98.9	Very high	98.5	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.03	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60.4	-16	-178.1	-166.2	0	0	0	0	112.7	L406 V458 M470 D471 H472 F476 L477	L406-V474 HydrophobicContact CB-CG1 4.03Å; V458-V474 HydrophobicContact CB-CG1 3.85Å; V458-V474 HydrophobicContact CG1-CG1 4.14Å; V458-V474 HydrophobicContact CG2-CG1 4.12Å; M470-V474 HydrophobicContact CE-CB 3.76Å; M470-V474 HydrophobicContact CE-CG1 3.88Å; M470-V474 HydrophobicContact CG-CB 3.93Å; M470-V474 HydrophobicContact CG-CG1 4.38Å; M470-V474 HydrophobicContact CG-CG2 3.99Å; D471-V474 HydrophobicContact CB-CG2 4.26Å; D471-V474 WeakPolarHBondContact O-CB 3.03Å; D471-V474 VanDerWaalsContact O-CG2 3.29Å; D471-V474 WeakPolarHBondContact O-CG2 3.31Å; D471-V474 PolarHBondContact O-N 3.48Å; H472-V474 PolarHBondContact O-N 3.13Å; H472-V474 VanDerWaalsContact O-N 3.13Å; V474-F476 PolarHBondContact O-N 3.48Å; V474-F476 VanDerWaalsContact O-N 3.14Å; V474-L477 WeakPolarHBondContact O-CB 3.33Å; V474-L477 PolarHBondContact O-N 3.43Å; V474-L477 VanDerWaalsContact O-N 3.11Å
475	C	98.9	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-69.1	3.4	172	-66.3	0	0	0	0	114.8	H472 L473 L477 P478 C504 E546 T547 S550	H472-C475 WeakPolarHBondContact O-CB 3Å; H472-C475 PolarHBondContact O-N 3.16Å; L473-C475 PolarHBondContact O-N 3.14Å; C475-L477 VanDerWaalsContact C-N 3.34Å; C475-P478 WeakPolarHBondContact O-CD 3.46Å; C475-C504 WeakPolarHBondContact CA-SG 3.3Å; C475-C504 HydrophobicContact CB-CB 3.84Å; C475-C504 WeakPolarHBondContact CB-SG 3.21Å; C475-C504 WeakPolarHBondContact SG-CB 3.31Å; C475-C504 CovalentContact SG-SG 2.04Å; C475-C504 PolarHBondContact SG-SG 2.85Å; C475-E546 HydrophobicContact CB-CB 4.25Å; C475-E546 CarbonylContact O-C 3.57Å; C475-T547 WeakPolarHBondContact CB-OG1 3.32Å; C475-S550 WeakPolarHBondContact O-CB 3.22Å; C475-S550 PolarHBondContact O-OG 2.86Å
476	F	98.9	Very high	98.7	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.026	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-71	-29.7	163.1	88.5	-79.3	0	0	0	112.3	D411 E415 L473 V474 P478 G479 T480 E546	D411-F476 HydrophobicContact CB-CD1 4.2Å; D411-F476 HydrophobicContact CB-CE1 3.84Å; D411-F476 HydrophobicContact CB-CZ 4.39Å; D411-F476 VanDerWaalsContact O-CZ 3.23Å; D411-F476 WeakPolarHBondContact O-CZ 3.47Å; E415-F476 HydrophobicContact CB-CD2 4.02Å; E415-F476 HydrophobicContact CB-CE2 3.76Å; E415-F476 HydrophobicContact CG-CD2 4.12Å; E415-F476 HydrophobicContact CG-CE2 4.33Å; L473-F476 VanDerWaalsContact O-CD1 3.3Å; L473-F476 WeakPolarHBondContact O-CD1 3.23Å; L473-F476 PolarHBondContact O-N 3.4Å; V474-F476 PolarHBondContact O-N 3.48Å; V474-F476 VanDerWaalsContact O-N 3.14Å; F476-P478 VanDerWaalsContact C-CD 3.49Å; F476-G479 PolarHBondContact O-N 2.97Å; F476-T480 WeakPolarHBondContact CD2-OG1 3.19Å; F476-T480 HydrophobicContact CE2-CG2 4.48Å; F476-T480 PolarHBondContact O-N 2.83Å; F476-T480 VanDerWaalsContact O-N 3.11Å; F476-T480 PolarHBondContact O-OG1 2.77Å; F476-E546 HydrophobicContact CB-CB 4.39Å
477	L	98.9	Very high	98.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-40.4	-170.4	-175	66.5	0	0	0	114.2	L406 I439 V442 V458 V474 C475 G479 T480 L481 L500	L406-L477 HydrophobicContact CD2-CD1 4.08Å; L406-L477 HydrophobicContact CD2-CD2 3.66Å; L406-L477 HydrophobicContact CD2-CG 4.39Å; I439-L477 HydrophobicContact CD1-CD1 3.96Å; V442-L477 HydrophobicContact CG1-CD2 4.36Å; V458-L477 HydrophobicContact CG2-CD2 3.93Å; V474-L477 WeakPolarHBondContact O-CB 3.33Å; V474-L477 PolarHBondContact O-N 3.43Å; V474-L477 VanDerWaalsContact O-N 3.11Å; C475-L477 VanDerWaalsContact C-N 3.34Å; L477-G479 VanDerWaalsContact C-N 3.35Å; L477-G479 PolarHBondContact O-N 3.32Å; L477-T480 PolarHBondContact O-N 3.21Å; L477-L481 HydrophobicContact CD1-CD1 4.34Å; L477-L481 HydrophobicContact CD1-CG 4.06Å; L477-L481 HydrophobicContact CD2-CD1 4.34Å; L477-L481 HydrophobicContact CG-CD1 3.87Å; L477-L481 HydrophobicContact CG-CG 4.09Å; L477-L481 WeakPolarHBondContact O-CB 2.99Å; L477-L481 VanDerWaalsContact O-CG 3.3Å; L477-L481 WeakPolarHBondContact O-CG 3.44Å; L477-L481 PolarHBondContact O-N 3.27Å; L477-L500 HydrophobicContact CD2-CD1 3.78Å; L477-L500 HydrophobicContact CG-CD1 4.27Å
478	P	98.9	Very high	98.6	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-57.5	-44.9	176.4	-16.8	25.5	0	0	0	112.8	C475 F476 L481 A482 A497 L500 M501 S550 L554	C475-P478 WeakPolarHBondContact O-CD 3.46Å; F476-P478 VanDerWaalsContact C-CD 3.49Å; P478-L481 PolarHBondContact O-N 3.47Å; P478-A482 WeakPolarHBondContact O-CB 3.3Å; P478-A482 PolarHBondContact O-N 3.5Å; P478-A497 VanDerWaalsContact O-CB 3.31Å; P478-A497 WeakPolarHBondContact O-CB 3.46Å; P478-L500 HydrophobicContact CB-CB 4.37Å; P478-L500 HydrophobicContact CG-CB 3.8Å; P478-M501 HydrophobicContact CB-CB 3.98Å; P478-M501 HydrophobicContact CB-SD 4.5Å; P478-M501 HydrophobicContact CG-CB 4.49Å; P478-S550 WeakPolarHBondContact CD-OG 2.99Å; P478-L554 HydrophobicContact CB-CD2 4.2Å
479	G	98.9	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.1	-44.9	177.1	0	0	0	0	0	112	F476 L477 A482 L483 S550	F476-G479 PolarHBondContact O-N 2.97Å; L477-G479 VanDerWaalsContact C-N 3.35Å; L477-G479 PolarHBondContact O-N 3.32Å; G479-A482 PolarHBondContact O-N 3.03Å; G479-L483 VanDerWaalsContact O-CB 3.31Å; G479-L483 WeakPolarHBondContact O-CB 3.28Å; G479-L483 PolarHBondContact O-N 3.25Å; G479-S550 PolarHBondContact N-OG 3.46Å
480	T	98.9	Very high	98.4	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-45.2	175.8	-61.8	0	0	0	0	112.2	L418 Y435 F476 L477 L483 G484	L418-T480 HydrophobicContact CD2-CG2 3.78Å; L418-T480 WeakPolarHBondContact CD2-O 3.42Å; Y435-T480 HydrophobicContact CE2-CG2 4.03Å; F476-T480 WeakPolarHBondContact CD2-OG1 3.19Å; F476-T480 HydrophobicContact CE2-CG2 4.48Å; F476-T480 PolarHBondContact O-N 2.83Å; F476-T480 VanDerWaalsContact O-N 3.11Å; F476-T480 PolarHBondContact O-OG1 2.77Å; L477-T480 PolarHBondContact O-N 3.21Å; T480-L483 PolarHBondContact O-N 3.01Å; T480-G484 PolarHBondContact O-N 3.26Å
481	L	98.9	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-43.8	175.4	-76.3	171.4	0	0	0	112	I439 L477 P478 G484 A485 H493 L496 A497 L500	I439-L481 HydrophobicContact CD1-CD2 3.88Å; I439-L481 HydrophobicContact CG1-CD2 4.15Å; I439-L481 HydrophobicContact CG2-CD2 3.85Å; L477-L481 HydrophobicContact CD1-CD1 4.34Å; L477-L481 HydrophobicContact CD1-CG 4.06Å; L477-L481 HydrophobicContact CD2-CD1 4.34Å; L477-L481 HydrophobicContact CG-CD1 3.87Å; L477-L481 HydrophobicContact CG-CG 4.09Å; L477-L481 WeakPolarHBondContact O-CB 2.99Å; L477-L481 VanDerWaalsContact O-CG 3.3Å; L477-L481 WeakPolarHBondContact O-CG 3.44Å; L477-L481 PolarHBondContact O-N 3.27Å; P478-L481 PolarHBondContact O-N 3.47Å; L481-G484 PolarHBondContact O-N 2.91Å; L481-A485 PolarHBondContact O-N 3.45Å; L481-H493 HydrophobicContact CB-CB 4.43Å; L481-H493 HydrophobicContact CD2-CB 4.03Å; L481-L496 HydrophobicContact CD1-CB 4.24Å; L481-L496 HydrophobicContact CD1-CD2 3.77Å; L481-L496 HydrophobicContact CD1-CG 3.78Å; L481-A497 HydrophobicContact CB-CB 3.88Å; L481-L500 HydrophobicContact CD1-CD1 3.98Å
482	A	98.9	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-40.2	177.8	0	0	0	0	0	112.3	P478 G479 G484 A485 H486 M494 A497 L554 F557	P478-A482 WeakPolarHBondContact O-CB 3.3Å; P478-A482 PolarHBondContact O-N 3.5Å; G479-A482 PolarHBondContact O-N 3.03Å; A482-G484 VanDerWaalsContact C-N 3.33Å; A482-A485 PolarHBondContact O-N 2.88Å; A482-H486 PolarHBondContact O-N 3.2Å; A482-M494 HydrophobicContact CB-CE 3.77Å; A482-M494 HydrophobicContact CB-SD 4.24Å; A482-A497 HydrophobicContact CB-CB 4.11Å; A482-L554 HydrophobicContact CB-CD1 4.24Å; A482-L554 HydrophobicContact CB-CD2 3.67Å; A482-F557 HydrophobicContact CB-CD2 3.99Å; A482-F557 HydrophobicContact CB-CE2 4.46Å
483	L	98.8	Very high	98.2	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-41.6	172.3	176.7	64.7	0	0	0	111.4	L418 K419 I422 G479 T480 N487 Y553 F557	L418-L483 HydrophobicContact CD2-CB 4.35Å; L418-L483 HydrophobicContact CD2-CD2 4.25Å; L418-L483 HydrophobicContact CD2-CG 4.24Å; K419-L483 HydrophobicContact CG-CD2 4.28Å; I422-L483 HydrophobicContact CD1-CD1 4.08Å; I422-L483 HydrophobicContact CD1-CD2 3.9Å; I422-L483 HydrophobicContact CD1-CG 3.72Å; G479-L483 VanDerWaalsContact O-CB 3.31Å; G479-L483 WeakPolarHBondContact O-CB 3.28Å; G479-L483 PolarHBondContact O-N 3.25Å; T480-L483 PolarHBondContact O-N 3.01Å; L483-N487 WeakPolarHBondContact CD1-ND2 3.27Å; L483-N487 WeakPolarHBondContact O-CB 3.48Å; L483-N487 PolarHBondContact O-N 3.44Å; L483-N487 VanDerWaalsContact O-N 3.09Å; L483-N487 PolarHBondContact O-ND2 2.92Å; L483-Y553 HydrophobicContact CB-CD1 4.31Å; L483-Y553 HydrophobicContact CB-CE1 4.31Å; L483-Y553 HydrophobicContact CD1-CD1 4.47Å; L483-Y553 HydrophobicContact CD1-CE1 4Å; L483-Y553 HydrophobicContact CD2-CE1 4.18Å; L483-Y553 HydrophobicContact CG-CE1 4.39Å; L483-F557 VanDerWaalsContact CA-CE2 3.48Å; L483-F557 HydrophobicContact CB-CE2 4.11Å; L483-F557 HydrophobicContact CB-CZ 4.43Å; L483-F557 HydrophobicContact CD1-CE2 4.34Å; L483-F557 HydrophobicContact CD1-CZ 3.82Å
484	G	98.5	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-50.7	173.8	0	0	0	0	0	112	T480 L481 A482 H486 N487 G488 L489	T480-G484 PolarHBondContact O-N 3.26Å; L481-G484 PolarHBondContact O-N 2.91Å; A482-G484 VanDerWaalsContact C-N 3.33Å; G484-H486 PolarHBondContact O-N 3.42Å; G484-N487 CarbonylContact O-C 3.55Å; G484-N487 WeakPolarHBondContact O-CA 3.23Å; G484-N487 PolarHBondContact O-N 3.37Å; G484-G488 PolarHBondContact O-N 3.49Å; G484-L489 VanDerWaalsContact O-CB 3.29Å; G484-L489 WeakPolarHBondContact O-CB 3.41Å; G484-L489 VanDerWaalsContact O-CG 3.27Å; G484-L489 WeakPolarHBondContact O-CG 3.39Å; G484-L489 PolarHBondContact O-N 3.49Å
485	A	98.4	Very high	98.1	Very high	20 Å²	20	25.6 Å²	25.6	17%	0.165	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-44.2	179.3	0	0	0	0	0	112.6	L481 A482 N487 G488 H493 M494	L481-A485 PolarHBondContact O-N 3.45Å; A482-A485 PolarHBondContact O-N 2.88Å; A485-N487 PolarHBondContact O-N 2.96Å; A485-G488 PolarHBondContact O-N 3.42Å; A485-G488 VanDerWaalsContact O-N 3.13Å; A485-H493 HydrophobicContact CB-CB 4.33Å; A485-M494 HydrophobicContact CB-CB 3.74Å; A485-M494 HydrophobicContact CB-CE 4.26Å
486	H	97.1	Very high	98.1	Very high	83 Å²	83	26.1 Å²	26.1	38%	0.384	17%	0.168	S	C	.	.	H	α-helix	trans	-56.9	-37.3	172.1	176.8	77.1	0	0	0	112.1	A482 G484 G488 F557 D629	A482-H486 PolarHBondContact O-N 3.2Å; G484-H486 PolarHBondContact O-N 3.42Å; H486-G488 VanDerWaalsContact C-N 3.26Å; H486-G488 PolarHBondContact O-N 2.94Å; H486-F557 HydrophobicContact CB-CD1 3.57Å; H486-F557 HydrophobicContact CB-CD2 4.13Å; H486-F557 HydrophobicContact CB-CE1 3.58Å; H486-F557 HydrophobicContact CB-CE2 4.13Å; H486-F557 HydrophobicContact CB-CG 3.86Å; H486-F557 HydrophobicContact CB-CZ 3.86Å; H486-F557 AromaticContact CD2-CD1 3.97Å; H486-F557 AromaticContact CD2-CE1 3.41Å; H486-F557 VanDerWaalsContact CD2-CE1 3.41Å; H486-F557 WeakPolarHBondContact CD2-CE1 3.06Å; H486-F557 AromaticContact CE1-CD1 3.97Å; H486-F557 AromaticContact CE1-CE1 3.99Å; H486-F557 AromaticContact CG-CD1 3.33Å; H486-F557 AromaticContact CG-CE1 3.23Å; H486-F557 AromaticContact CG-CZ 3.94Å; H486-F557 AromaticContact ND1-CD1 3.34Å; H486-F557 VanDerWaalsContact ND1-CD1 3.34Å; H486-F557 WeakPolarHBondContact ND1-CD1 3.46Å; H486-F557 AromaticContact ND1-CE1 3.64Å; H486-F557 AromaticContact NE2-CE1 3.89Å; H486-D629 IonicContact CD2-OD1 2.83Å; H486-D629 IonicContact CE1-OD1 3.37Å; H486-D629 IonicContact NE2-OD1 2.88Å; H486-D629 PolarHBondContact NE2-OD1 3.48Å
487	N	97.5	Very high	98.1	Very high	15 Å²	15	25.9 Å²	25.9	8%	0.08	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.7	-179.4	-82.4	-78.7	0	0	0	115.3	W421 I422 K426 L483 G484 A485	W421-N487 HydrophobicContact CH2-CB 4.45Å; W421-N487 HydrophobicContact CZ3-CB 3.97Å; I422-N487 HydrophobicContact CD1-CB 4.34Å; I422-N487 HydrophobicContact CG1-CB 4.45Å; K426-N487 WeakPolarHBondContact CE-OD1 3.15Å; K426-N487 PolarHBondContact NZ-O 2.79Å; K426-N487 PolarHBondContact NZ-OD1 3.42Å; L483-N487 WeakPolarHBondContact CD1-ND2 3.27Å; L483-N487 WeakPolarHBondContact O-CB 3.48Å; L483-N487 PolarHBondContact O-N 3.44Å; L483-N487 VanDerWaalsContact O-N 3.09Å; L483-N487 PolarHBondContact O-ND2 2.92Å; G484-N487 CarbonylContact O-C 3.55Å; G484-N487 WeakPolarHBondContact O-CA 3.23Å; G484-N487 PolarHBondContact O-N 3.37Å; A485-N487 PolarHBondContact O-N 2.96Å
488	G	96.9	Very high	98.1	Very high	66 Å²	66	29.6 Å²	29.6	68%	0.68	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.8	12.6	173.9	0	0	0	0	0	115.4	G484 A485 H486	G484-G488 PolarHBondContact O-N 3.49Å; A485-G488 PolarHBondContact O-N 3.42Å; A485-G488 VanDerWaalsContact O-N 3.13Å; H486-G488 VanDerWaalsContact C-N 3.26Å; H486-G488 PolarHBondContact O-N 2.94Å
489	L	97.3	Very high	98.1	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.089	20%	0.202	C	C	.	.			trans	-81.8	167.4	175.8	-54.7	-165.7	0	0	0	111.8	L418 W421 L432 Y435 L436 G484 A491	L418-L489 HydrophobicContact CD1-CD1 3.65Å; W421-L489 HydrophobicContact CH2-CD2 3.95Å; W421-L489 HydrophobicContact CZ3-CD2 4.2Å; W421-L489 HydrophobicContact CZ3-CG 4.46Å; L432-L489 HydrophobicContact CD1-CD1 3.92Å; L432-L489 HydrophobicContact CD1-CD2 3.43Å; L432-L489 VanDerWaalsContact CD1-CD2 3.43Å; L432-L489 HydrophobicContact CD1-CG 4.35Å; L432-L489 HydrophobicContact CD2-CD2 4.49Å; Y435-L489 HydrophobicContact CD1-CD1 3.71Å; Y435-L489 HydrophobicContact CE1-CD1 3.44Å; Y435-L489 VanDerWaalsContact CE1-CD1 3.44Å; L436-L489 HydrophobicContact CD2-CD1 4.35Å; G484-L489 VanDerWaalsContact O-CB 3.29Å; G484-L489 WeakPolarHBondContact O-CB 3.41Å; G484-L489 VanDerWaalsContact O-CG 3.27Å; G484-L489 WeakPolarHBondContact O-CG 3.39Å; G484-L489 PolarHBondContact O-N 3.49Å; L489-A491 PolarHBondContact O-N 2.83Å
490	P	97.6	Very high	98.1	Very high	61 Å²	61	33.7 Å²	33.7	40%	0.396	20%	0.202	S	C	.	.			trans	-52.1	138.4	-172.2	-31.2	38.8	0	0	0	114.5	L436 D492 H493	L436-P490 HydrophobicContact CD2-CG 4.4Å; P490-D492 WeakPolarHBondContact CB-OD1 3.24Å; P490-D492 PolarHBondContact O-N 3.01Å; P490-H493 VanDerWaalsContact O-CB 3.23Å; P490-H493 WeakPolarHBondContact O-CB 3.29Å; P490-H493 PolarHBondContact O-CD2 3.23Å; P490-H493 PolarHBondContact O-N 2.92Å
491	A	94.5	Very high	98.1	Very high	77 Å²	77	33.6 Å²	33.6	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.2	-171.1	0	0	0	0	0	113.9	L489 H493 M494 D495	L489-A491 PolarHBondContact O-N 2.83Å; A491-H493 PolarHBondContact O-N 2.88Å; A491-M494 WeakPolarHBondContact O-CB 3.1Å; A491-M494 PolarHBondContact O-N 3.24Å; A491-D495 PolarHBondContact O-N 2.93Å
492	D	97.4	Very high	98.1	Very high	71 Å²	71	37 Å²	37	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-66.3	-17.7	175.8	69.3	-46.5	0	0	0	112.8	K443 P490 M494 D495 L496	K443-D492 WeakPolarHBondContact CE-OD2 3.4Å; K443-D492 IonicContact NZ-OD1 3.24Å; K443-D492 IonicContact NZ-OD2 3.38Å; K443-D492 PolarHBondContact NZ-OD2 3.4Å; P490-D492 WeakPolarHBondContact CB-OD1 3.24Å; P490-D492 PolarHBondContact O-N 3.01Å; D492-M494 VanDerWaalsContact C-N 3.3Å; D492-M494 PolarHBondContact O-N 3.2Å; D492-D495 PolarHBondContact O-N 3.49Å; D492-L496 WeakPolarHBondContact O-CB 3.39Å; D492-L496 PolarHBondContact O-N 3.49Å
493	H	98.5	Very high	98.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-40	168.6	-70.4	-142.2	0	0	0	110.9	K443 L481 A485 P490 A491 D495 A497	K443-H493 PolarHBondContact NZ-NE2 3.18Å; L481-H493 HydrophobicContact CB-CB 4.43Å; L481-H493 HydrophobicContact CD2-CB 4.03Å; A485-H493 HydrophobicContact CB-CB 4.33Å; P490-H493 VanDerWaalsContact O-CB 3.23Å; P490-H493 WeakPolarHBondContact O-CB 3.29Å; P490-H493 PolarHBondContact O-CD2 3.23Å; P490-H493 PolarHBondContact O-N 2.92Å; A491-H493 PolarHBondContact O-N 2.88Å; H493-D495 VanDerWaalsContact C-N 3.33Å; H493-A497 WeakPolarHBondContact O-CB 3.33Å; H493-A497 PolarHBondContact O-N 2.84Å
494	M	98.8	Very high	98.2	Very high	27 Å²	27	36.7 Å²	36.7	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-70.7	-29.7	176.9	177.3	58	72	0	0	111.9	A482 A485 A491 D492 K498 L554 F557 T558	A482-M494 HydrophobicContact CB-CE 3.77Å; A482-M494 HydrophobicContact CB-SD 4.24Å; A485-M494 HydrophobicContact CB-CB 3.74Å; A485-M494 HydrophobicContact CB-CE 4.26Å; A491-M494 WeakPolarHBondContact O-CB 3.1Å; A491-M494 PolarHBondContact O-N 3.24Å; D492-M494 VanDerWaalsContact C-N 3.3Å; D492-M494 PolarHBondContact O-N 3.2Å; M494-K498 WeakPolarHBondContact O-CD 3.44Å; M494-K498 WeakPolarHBondContact O-CE 3.46Å; M494-K498 VanDerWaalsContact O-CG 3.26Å; M494-K498 WeakPolarHBondContact O-CG 3.23Å; M494-K498 PolarHBondContact O-N 3.31Å; M494-K498 VanDerWaalsContact O-N 3.16Å; M494-L554 HydrophobicContact SD-CD1 3.99Å; M494-F557 HydrophobicContact CE-CB 4.02Å; M494-T558 HydrophobicContact CE-CG2 4.5Å; M494-T558 HydrophobicContact SD-CG2 3.92Å
495	D	98.6	Very high	98.2	Very high	86 Å²	86	37.7 Å²	37.7	46%	0.46	22%	0.22	S	C	.	.	H	α-helix	trans	-75.2	-44.6	175.9	-67.1	-28.3	0	0	0	111.5	A491 D492 H493 A497 K498 E499	A491-D495 PolarHBondContact O-N 2.93Å; D492-D495 PolarHBondContact O-N 3.49Å; H493-D495 VanDerWaalsContact C-N 3.33Å; D495-A497 VanDerWaalsContact C-N 3.29Å; D495-A497 PolarHBondContact O-N 3.48Å; D495-K498 PolarHBondContact O-N 2.99Å; D495-K498 VanDerWaalsContact O-N 3.14Å; D495-K498 IonicContact OD1-NZ 2.72Å; D495-K498 PolarHBondContact OD1-NZ 3.1Å; D495-E499 PolarHBondContact O-N 2.84Å
496	L	98.8	Very high	98.2	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-38.9	170.7	-179.7	60.1	0	0	0	111.8	K443 L447 V456 L481 D492 K498 E499 L500	K443-L496 HydrophobicContact CG-CD2 4.12Å; L447-L496 HydrophobicContact CD1-CD1 3.56Å; L447-L496 HydrophobicContact CD1-CD2 4.01Å; L447-L496 HydrophobicContact CD1-CG 4.46Å; L447-L496 HydrophobicContact CD2-CD1 4.19Å; V456-L496 HydrophobicContact CG1-CD1 4.08Å; L481-L496 HydrophobicContact CD1-CB 4.24Å; L481-L496 HydrophobicContact CD1-CD2 3.77Å; L481-L496 HydrophobicContact CD1-CG 3.78Å; D492-L496 WeakPolarHBondContact O-CB 3.39Å; D492-L496 PolarHBondContact O-N 3.49Å; L496-K498 VanDerWaalsContact C-N 3.34Å; L496-K498 PolarHBondContact O-N 3.04Å; L496-E499 PolarHBondContact O-N 2.88Å; L496-L500 HydrophobicContact CD1-CD1 3.94Å; L496-L500 HydrophobicContact CD1-CD2 4.46Å; L496-L500 HydrophobicContact CD1-CG 3.87Å; L496-L500 HydrophobicContact CD2-CD1 4.45Å; L496-L500 HydrophobicContact CG-CD1 3.86Å; L496-L500 HydrophobicContact CG-CG 4.22Å; L496-L500 WeakPolarHBondContact O-CB 3.41Å; L496-L500 WeakPolarHBondContact O-CG 3.46Å; L496-L500 PolarHBondContact O-N 2.97Å
497	A	98.9	Very high	98.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-43.4	173.9	0	0	0	0	0	112.1	P478 L481 A482 H493 D495 M501 L554	P478-A497 VanDerWaalsContact O-CB 3.31Å; P478-A497 WeakPolarHBondContact O-CB 3.46Å; L481-A497 HydrophobicContact CB-CB 3.88Å; A482-A497 HydrophobicContact CB-CB 4.11Å; H493-A497 WeakPolarHBondContact O-CB 3.33Å; H493-A497 PolarHBondContact O-N 2.84Å; D495-A497 VanDerWaalsContact C-N 3.29Å; D495-A497 PolarHBondContact O-N 3.48Å; A497-M501 WeakPolarHBondContact O-CB 3.49Å; A497-M501 PolarHBondContact O-N 3Å; A497-L554 HydrophobicContact CB-CD1 4.34Å; A497-L554 HydrophobicContact CB-CD2 4.33Å
498	K	98.9	Very high	98.3	Very high	79 Å²	79	34 Å²	34	34%	0.343	20%	0.199	S	C	.	.	H	α-helix	trans	-65.5	-42	176.5	-66.3	159.7	-163.2	155.7	0	112	M494 D495 L496 H502 L554	M494-K498 WeakPolarHBondContact O-CD 3.44Å; M494-K498 WeakPolarHBondContact O-CE 3.46Å; M494-K498 VanDerWaalsContact O-CG 3.26Å; M494-K498 WeakPolarHBondContact O-CG 3.23Å; M494-K498 PolarHBondContact O-N 3.31Å; M494-K498 VanDerWaalsContact O-N 3.16Å; D495-K498 PolarHBondContact O-N 2.99Å; D495-K498 VanDerWaalsContact O-N 3.14Å; D495-K498 IonicContact OD1-NZ 2.72Å; D495-K498 PolarHBondContact OD1-NZ 3.1Å; L496-K498 VanDerWaalsContact C-N 3.34Å; L496-K498 PolarHBondContact O-N 3.04Å; K498-H502 PolarHBondContact O-N 3.31Å; K498-H502 VanDerWaalsContact O-N 3.12Å; K498-L554 HydrophobicContact CG-CD1 4.24Å
499	E	98.9	Very high	98.4	Very high	85 Å²	85	33.8 Å²	33.8	40%	0.397	18%	0.184	S	C	.	.	H	α-helix	trans	-63.1	-50.3	177.7	-71.2	-169.1	121.7	0	0	111.3	K449 V456 D495 L496 H502 T503	K449-E499 IonicContact NZ-OE1 2.67Å; K449-E499 PolarHBondContact NZ-OE1 2.82Å; V456-E499 HydrophobicContact CB-CB 4.04Å; V456-E499 HydrophobicContact CG2-CB 4.07Å; V456-E499 HydrophobicContact CG2-CG 4.31Å; V456-E499 WeakPolarHBondContact CG2-OE1 3.32Å; D495-E499 PolarHBondContact O-N 2.84Å; L496-E499 PolarHBondContact O-N 2.88Å; E499-H502 WeakPolarHBondContact O-CB 3.5Å; E499-H502 PolarHBondContact O-N 2.89Å; E499-T503 PolarHBondContact O-N 3.25Å; E499-T503 VanDerWaalsContact O-N 3.14Å; E499-T503 PolarHBondContact O-OG1 3.41Å
500	L	98.9	Very high	98.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-67.5	-37.5	179.3	-66.4	175.9	0	0	0	112.5	L447 V456 V458 L477 P478 L481 L496 H502 T503 C504	L447-L500 HydrophobicContact CD2-CD2 4.31Å; V456-L500 HydrophobicContact CG1-CD2 4.04Å; V456-L500 WeakPolarHBondContact O-CD2 3.5Å; V458-L500 HydrophobicContact CG2-CD1 4.22Å; V458-L500 HydrophobicContact CG2-CD2 3.95Å; L477-L500 HydrophobicContact CD2-CD1 3.78Å; L477-L500 HydrophobicContact CG-CD1 4.27Å; P478-L500 HydrophobicContact CB-CB 4.37Å; P478-L500 HydrophobicContact CG-CB 3.8Å; L481-L500 HydrophobicContact CD1-CD1 3.98Å; L496-L500 HydrophobicContact CD1-CD1 3.94Å; L496-L500 HydrophobicContact CD1-CD2 4.46Å; L496-L500 HydrophobicContact CD1-CG 3.87Å; L496-L500 HydrophobicContact CD2-CD1 4.45Å; L496-L500 HydrophobicContact CG-CD1 3.86Å; L496-L500 HydrophobicContact CG-CG 4.22Å; L496-L500 WeakPolarHBondContact O-CB 3.41Å; L496-L500 WeakPolarHBondContact O-CG 3.46Å; L496-L500 PolarHBondContact O-N 2.97Å; L500-H502 VanDerWaalsContact C-N 3.28Å; L500-H502 PolarHBondContact O-N 3.43Å; L500-T503 WeakPolarHBondContact O-CB 3.47Å; L500-T503 PolarHBondContact O-N 3.47Å; L500-T503 VanDerWaalsContact O-N 3.12Å; L500-C504 PolarHBondContact O-N 2.96Å
501	M	98.9	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-37.6	175.1	-176.3	73.2	-93.5	0	0	111.5	P478 A497 C504 Y505 T547 S550 L551 L554 Y563 W566	P478-M501 HydrophobicContact CB-CB 3.98Å; P478-M501 HydrophobicContact CB-SD 4.5Å; P478-M501 HydrophobicContact CG-CB 4.49Å; A497-M501 WeakPolarHBondContact O-CB 3.49Å; A497-M501 PolarHBondContact O-N 3Å; M501-C504 HydrophobicContact CE-CB 3.95Å; M501-Y505 PolarHBondContact O-N 2.86Å; M501-T547 HydrophobicContact CE-CG2 3.86Å; M501-S550 WeakPolarHBondContact SD-CB 3.44Å; M501-L551 HydrophobicContact CE-CD2 3.7Å; M501-L551 HydrophobicContact CE-CG 3.78Å; M501-L551 HydrophobicContact CG-CD2 4.19Å; M501-L551 HydrophobicContact SD-CB 4.48Å; M501-L551 HydrophobicContact SD-CD2 3.71Å; M501-L551 HydrophobicContact SD-CG 3.94Å; M501-L551 PolarHBondContact SD-N 3.22Å; M501-L551 VanDerWaalsContact SD-N 3.43Å; M501-L554 HydrophobicContact CB-CG 4.26Å; M501-L554 HydrophobicContact CG-CG 4.1Å; M501-L554 HydrophobicContact SD-CD2 4.5Å; M501-L554 HydrophobicContact SD-CG 4.5Å; M501-Y563 HydrophobicContact CB-CE1 4.36Å; M501-Y563 HydrophobicContact CG-CD1 3.92Å; M501-Y563 HydrophobicContact CG-CE1 3.54Å; M501-W566 HydrophobicContact CG-CZ3 4.24Å
502	H	98.9	Very high	98.7	Very high	70 Å²	70	34.3 Å²	34.3	32%	0.324	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-44	172.4	177.9	-119.3	0	0	0	111.3	K498 E499 L500 Y505 Q506 W566	K498-H502 PolarHBondContact O-N 3.31Å; K498-H502 VanDerWaalsContact O-N 3.12Å; E499-H502 WeakPolarHBondContact O-CB 3.5Å; E499-H502 PolarHBondContact O-N 2.89Å; L500-H502 VanDerWaalsContact C-N 3.28Å; L500-H502 PolarHBondContact O-N 3.43Å; H502-Y505 PolarHBondContact O-N 3.04Å; H502-Q506 PolarHBondContact NE2-NE2 3.03Å; H502-Q506 VanDerWaalsContact O-CG 3.32Å; H502-Q506 WeakPolarHBondContact O-CG 3.41Å; H502-Q506 PolarHBondContact O-N 2.75Å; H502-W566 HydrophobicContact CB-CH2 4.21Å; H502-W566 AromaticContact CD2-CH2 3.86Å
503	T	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.7	-45	175.7	-60.5	0	0	0	0	112.8	L455 V456 F457 E499 L500 Y505 Q506 M507 F522	L455-T503 HydrophobicContact CB-CG2 4.29Å; V456-T503 VanDerWaalsContact O-CB 3.24Å; V456-T503 WeakPolarHBondContact O-CB 3.38Å; V456-T503 WeakPolarHBondContact O-CG2 3.21Å; V456-T503 PolarHBondContact O-OG1 2.95Å; F457-T503 HydrophobicContact CB-CG2 4.07Å; E499-T503 PolarHBondContact O-N 3.25Å; E499-T503 VanDerWaalsContact O-N 3.14Å; E499-T503 PolarHBondContact O-OG1 3.41Å; L500-T503 WeakPolarHBondContact O-CB 3.47Å; L500-T503 PolarHBondContact O-N 3.47Å; L500-T503 VanDerWaalsContact O-N 3.12Å; T503-Y505 VanDerWaalsContact C-N 3.32Å; T503-Y505 PolarHBondContact O-N 3.24Å; T503-Q506 CarbonylContact O-C 3.52Å; T503-Q506 WeakPolarHBondContact O-CA 3.3Å; T503-Q506 WeakPolarHBondContact O-CB 3.36Å; T503-Q506 PolarHBondContact O-N 2.82Å; T503-M507 WeakPolarHBondContact O-CG 3.26Å; T503-M507 PolarHBondContact O-N 3.27Å; T503-F522 HydrophobicContact CG2-CE1 3.83Å; T503-F522 HydrophobicContact CG2-CE2 4.45Å; T503-F522 HydrophobicContact CG2-CZ 3.48Å; T503-F522 VanDerWaalsContact CG2-CZ 3.48Å
504	C	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-38.7	175.5	-73.3	0	0	0	0	112.1	C475 L500 M501 M507 Y508 T547	C475-C504 WeakPolarHBondContact CA-SG 3.3Å; C475-C504 HydrophobicContact CB-CB 3.84Å; C475-C504 WeakPolarHBondContact CB-SG 3.21Å; C475-C504 WeakPolarHBondContact SG-CB 3.31Å; C475-C504 CovalentContact SG-SG 2.04Å; C475-C504 PolarHBondContact SG-SG 2.85Å; L500-C504 PolarHBondContact O-N 2.96Å; M501-C504 HydrophobicContact CE-CB 3.95Å; C504-M507 WeakPolarHBondContact O-CB 3.5Å; C504-M507 PolarHBondContact O-N 3.02Å; C504-Y508 WeakPolarHBondContact O-CD2 3.23Å; C504-T547 HydrophobicContact CB-CG2 4.46Å
505	Y	98.9	Very high	98.7	Very high	20 Å²	20	30.1 Å²	30.1	8%	0.078	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-36.7	170.8	178.8	-112.2	0	0	0	112.9	M501 H502 T503 M507 Y508 V509 W566 K569	M501-Y505 PolarHBondContact O-N 2.86Å; H502-Y505 PolarHBondContact O-N 3.04Å; T503-Y505 VanDerWaalsContact C-N 3.32Å; T503-Y505 PolarHBondContact O-N 3.24Å; Y505-M507 VanDerWaalsContact C-N 3.3Å; Y505-M507 PolarHBondContact O-N 3.4Å; Y505-Y508 WeakPolarHBondContact O-CB 3.45Å; Y505-Y508 PolarHBondContact O-N 3Å; Y505-Y508 VanDerWaalsContact O-N 3.07Å; Y505-V509 HydrophobicContact CD1-CG1 4.36Å; Y505-V509 HydrophobicContact CD1-CG2 4.34Å; Y505-V509 HydrophobicContact CD2-CG1 4.24Å; Y505-V509 HydrophobicContact CE1-CG1 3.75Å; Y505-V509 HydrophobicContact CE1-CG2 4.16Å; Y505-V509 HydrophobicContact CE2-CG1 3.61Å; Y505-V509 PolarHBondContact O-N 3.32Å; Y505-V509 WeakPolarHBondContact OH-CG1 3.3Å; Y505-W566 AromaticContact CD1-CD2 3.58Å; Y505-W566 HydrophobicContact CD1-CD2 3.58Å; Y505-W566 AromaticContact CD1-CE2 3.63Å; Y505-W566 AromaticContact CD1-CE3 3.94Å; Y505-W566 HydrophobicContact CD1-CE3 3.94Å; Y505-W566 AromaticContact CD1-CG 3.95Å; Y505-W566 HydrophobicContact CD1-CG 3.95Å; Y505-W566 HydrophobicContact CD1-CH2 4.39Å; Y505-W566 HydrophobicContact CD1-CZ2 4.06Å; Y505-W566 HydrophobicContact CD1-CZ3 4.32Å; Y505-W566 AromaticContact CD1-NE1 3.95Å; Y505-W566 HydrophobicContact CD2-CB 3.54Å; Y505-W566 AromaticContact CD2-CD2 3.85Å; Y505-W566 HydrophobicContact CD2-CD2 3.85Å; Y505-W566 HydrophobicContact CD2-CE3 4.15Å; Y505-W566 AromaticContact CD2-CG 3.57Å; Y505-W566 HydrophobicContact CD2-CG 3.57Å; Y505-W566 AromaticContact CE1-CD1 3.62Å; Y505-W566 AromaticContact CE1-CD2 3.89Å; Y505-W566 HydrophobicContact CE1-CD2 3.89Å; Y505-W566 AromaticContact CE1-CE2 3.73Å; Y505-W566 AromaticContact CE1-CG 3.86Å; Y505-W566 HydrophobicContact CE1-CG 3.86Å; Y505-W566 HydrophobicContact CE1-CZ2 4.4Å; Y505-W566 AromaticContact CE1-NE1 3.54Å; Y505-W566 HydrophobicContact CE2-CB 3.47Å; Y505-W566 VanDerWaalsContact CE2-CB 3.47Å; Y505-W566 AromaticContact CE2-CD1 3.71Å; Y505-W566 HydrophobicContact CE2-CD2 4.14Å; Y505-W566 AromaticContact CE2-CG 3.46Å; Y505-W566 HydrophobicContact CE2-CG 3.46Å; Y505-W566 VanDerWaalsContact CE2-CG 3.46Å; Y505-W566 HydrophobicContact CG-CB 4.21Å; Y505-W566 AromaticContact CG-CD2 3.54Å; Y505-W566 HydrophobicContact CG-CD2 3.54Å; Y505-W566 AromaticContact CG-CE3 3.62Å; Y505-W566 HydrophobicContact CG-CE3 3.62Å; Y505-W566 AromaticContact CG-CG 3.8Å; Y505-W566 HydrophobicContact CG-CG 3.8Å; Y505-W566 HydrophobicContact CG-CZ3 4.24Å; Y505-W566 AromaticContact CZ-CD1 3.37Å; Y505-W566 AromaticContact CZ-CG 3.6Å; Y505-W566 AromaticContact CZ-NE1 3.8Å; Y505-K569 WeakPolarHBondContact OH-CD 3.1Å
506	Q	98.8	Very high	98.7	Very high	39 Å²	39	26 Å²	26	18%	0.182	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-33.3	172.8	-68.1	-68.8	-27.3	0	0	112.6	L455 H502 T503 Y508 V509 Q510	L455-Q506 HydrophobicContact CD1-CB 3.74Å; L455-Q506 HydrophobicContact CD1-CG 3.86Å; L455-Q506 HydrophobicContact CD2-CG 3.98Å; H502-Q506 PolarHBondContact NE2-NE2 3.03Å; H502-Q506 VanDerWaalsContact O-CG 3.32Å; H502-Q506 WeakPolarHBondContact O-CG 3.41Å; H502-Q506 PolarHBondContact O-N 2.75Å; T503-Q506 CarbonylContact O-C 3.52Å; T503-Q506 WeakPolarHBondContact O-CA 3.3Å; T503-Q506 WeakPolarHBondContact O-CB 3.36Å; T503-Q506 PolarHBondContact O-N 2.82Å; Q506-Y508 PolarHBondContact O-N 3.26Å; Q506-V509 PolarHBondContact O-N 2.79Å; Q506-Q510 WeakPolarHBondContact O-CB 3.35Å; Q506-Q510 WeakPolarHBondContact O-CG 3.41Å; Q506-Q510 PolarHBondContact O-N 3.49Å
507	M	98.9	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-26.3	172.5	-65.1	164.3	51.6	0	0	112.9	M470 T503 C504 Y505 M511 S516 V520 F522 I532	M470-M507 HydrophobicContact CE-SD 4.27Å; M470-M507 HydrophobicContact SD-SD 4.28Å; T503-M507 WeakPolarHBondContact O-CG 3.26Å; T503-M507 PolarHBondContact O-N 3.27Å; C504-M507 WeakPolarHBondContact O-CB 3.5Å; C504-M507 PolarHBondContact O-N 3.02Å; Y505-M507 VanDerWaalsContact C-N 3.3Å; Y505-M507 PolarHBondContact O-N 3.4Å; M507-M511 WeakPolarHBondContact O-CG 3.14Å; M507-S516 WeakPolarHBondContact O-CA 3.46Å; M507-V520 HydrophobicContact CB-CG1 4.44Å; M507-V520 HydrophobicContact CE-CG1 4.14Å; M507-V520 HydrophobicContact CE-CG2 3.79Å; M507-V520 HydrophobicContact CG-CG1 4.1Å; M507-V520 HydrophobicContact CG-CG2 4.11Å; M507-V520 HydrophobicContact SD-CG2 3.95Å; M507-F522 HydrophobicContact CG-CZ 4.23Å; M507-F522 HydrophobicContact SD-CZ 4.28Å; M507-I532 HydrophobicContact CB-CD1 4.33Å; M507-I532 HydrophobicContact CG-CD1 3.77Å
508	Y	98.8	Very high	98.7	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-82.6	-57.7	170	-76.5	-113.4	0	0	0	111.5	H472 C504 Y505 Q506 Q510 M511 G514 L515 S516 T547 I570	H472-Y508 AromaticContact CD2-CE2 3.95Å; H472-Y508 PolarHBondContact NE2-OH 3.07Å; C504-Y508 WeakPolarHBondContact O-CD2 3.23Å; Y505-Y508 WeakPolarHBondContact O-CB 3.45Å; Y505-Y508 PolarHBondContact O-N 3Å; Y505-Y508 VanDerWaalsContact O-N 3.07Å; Q506-Y508 PolarHBondContact O-N 3.26Å; Y508-Q510 VanDerWaalsContact C-N 3.3Å; Y508-Q510 PolarHBondContact O-N 3.06Å; Y508-M511 WeakPolarHBondContact O-CB 3.48Å; Y508-M511 PolarHBondContact O-N 3.42Å; Y508-M511 VanDerWaalsContact O-N 3.08Å; Y508-G514 WeakPolarHBondContact CD1-O 3.33Å; Y508-G514 CarbonylContact O-C 3.3Å; Y508-G514 VanDerWaalsContact O-CA 3.27Å; Y508-G514 WeakPolarHBondContact O-CA 3.3Å; Y508-L515 HydrophobicContact CD1-CD2 4.19Å; Y508-L515 HydrophobicContact CE1-CD2 4.1Å; Y508-S516 VanDerWaalsContact CD2-CB 3.48Å; Y508-T547 HydrophobicContact CD2-CG2 4.04Å; Y508-T547 HydrophobicContact CE2-CG2 3.64Å; Y508-T547 VanDerWaalsContact CE2-OG1 3.31Å; Y508-T547 WeakPolarHBondContact CE2-OG1 3.43Å; Y508-I570 HydrophobicContact CD1-CB 4.26Å; Y508-I570 HydrophobicContact CD1-CD1 3.8Å; Y508-I570 HydrophobicContact CD1-CG1 3.6Å; Y508-I570 HydrophobicContact CD1-CG2 3.7Å; Y508-I570 HydrophobicContact CD2-CD1 4.4Å; Y508-I570 HydrophobicContact CE1-CB 4.35Å; Y508-I570 HydrophobicContact CE1-CD1 4Å; Y508-I570 HydrophobicContact CE1-CG1 4.04Å; Y508-I570 HydrophobicContact CE1-CG2 3.37Å; Y508-I570 HydrophobicContact CG-CD1 4.04Å; Y508-I570 HydrophobicContact CG-CG1 4.13Å
509	V	98	Very high	98.7	Very high	61 Å²	61	24.2 Å²	24.2	37%	0.37	12%	0.12	S	C	.	.	H	α-helix	trans	-73.2	-15.6	-168.2	-62.3	0	0	0	0	115.4	Y505 Q506 M511	Y505-V509 HydrophobicContact CD1-CG1 4.36Å; Y505-V509 HydrophobicContact CD1-CG2 4.34Å; Y505-V509 HydrophobicContact CD2-CG1 4.24Å; Y505-V509 HydrophobicContact CE1-CG1 3.75Å; Y505-V509 HydrophobicContact CE1-CG2 4.16Å; Y505-V509 HydrophobicContact CE2-CG1 3.61Å; Y505-V509 PolarHBondContact O-N 3.32Å; Y505-V509 WeakPolarHBondContact OH-CG1 3.3Å; Q506-V509 PolarHBondContact O-N 2.79Å; V509-M511 VanDerWaalsContact C-N 3.29Å
510	Q	97.9	Very high	98.7	Very high	52 Å²	52	20.2 Å²	20.2	24%	0.243	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.2	171.8	-63.6	-168.8	18.8	0	0	113.2	Q506 Y508 D531	Q506-Q510 WeakPolarHBondContact O-CB 3.35Å; Q506-Q510 WeakPolarHBondContact O-CG 3.41Å; Q506-Q510 PolarHBondContact O-N 3.49Å; Y508-Q510 VanDerWaalsContact C-N 3.3Å; Y508-Q510 PolarHBondContact O-N 3.06Å; Q510-D531 PolarHBondContact NE2-OD2 3.05Å
511	M	98.4	Very high	98.7	Very high	11 Å²	11	21.3 Å²	21.3	5%	0.054	11%	0.106	C	C	.	.	S	Bend	trans	-93.3	146.3	175.4	-59.4	-62	110.5	0	0	111.4	M507 Y508 V509 T513 G514 L515 P517 I532 V534 V591	M507-M511 WeakPolarHBondContact O-CG 3.14Å; Y508-M511 WeakPolarHBondContact O-CB 3.48Å; Y508-M511 PolarHBondContact O-N 3.42Å; Y508-M511 VanDerWaalsContact O-N 3.08Å; V509-M511 VanDerWaalsContact C-N 3.29Å; M511-T513 VanDerWaalsContact C-N 3.31Å; M511-T513 PolarHBondContact O-N 2.94Å; M511-G514 WeakPolarHBondContact O-CA 3.42Å; M511-G514 PolarHBondContact O-N 3.05Å; M511-L515 WeakPolarHBondContact CB-O 3.32Å; M511-L515 WeakPolarHBondContact CG-O 3.17Å; M511-P517 HydrophobicContact SD-CG 4.43Å; M511-I532 HydrophobicContact CE-CG2 3.76Å; M511-V534 HydrophobicContact CE-CG2 3.68Å; M511-V534 HydrophobicContact SD-CG2 3.69Å; M511-V591 HydrophobicContact CB-CB 4.37Å; M511-V591 HydrophobicContact CB-CG2 4.26Å; M511-V591 HydrophobicContact CG-CG2 3.93Å; M511-V591 HydrophobicContact SD-CG2 3.85Å
512	E	98.3	Very high	98.7	Very high	102 Å²	102	21.6 Å²	21.6	48%	0.477	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.6	-176.2	-65.6	85.7	161.7	0	0	113.5	C592 P594	E512-C592 WeakPolarHBondContact OE2-CA 3.26Å; E512-C592 WeakPolarHBondContact OE2-CB 3.17Å; E512-P594 HydrophobicContact CB-CG 4.14Å
513	T	98.6	Very high	98.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.5	168.5	61.6	0	0	0	0	113.9	M511 L515 N573 Y577 V591 P594 P597	M511-T513 VanDerWaalsContact C-N 3.31Å; M511-T513 PolarHBondContact O-N 2.94Å; T513-L515 PolarHBondContact O-N 3.26Å; T513-N573 WeakPolarHBondContact O-CB 3.19Å; T513-Y577 HydrophobicContact CG2-CD1 4.11Å; T513-Y577 HydrophobicContact CG2-CD2 4.2Å; T513-Y577 HydrophobicContact CG2-CE1 4.29Å; T513-Y577 HydrophobicContact CG2-CE2 4.38Å; T513-Y577 HydrophobicContact CG2-CG 4.05Å; T513-Y577 VanDerWaalsContact O-CD2 3.25Å; T513-Y577 WeakPolarHBondContact O-CD2 3.46Å; T513-Y577 WeakPolarHBondContact O-CE2 3.46Å; T513-V591 WeakPolarHBondContact CG2-O 3.44Å; T513-V591 PolarHBondContact N-O 2.81Å; T513-V591 WeakPolarHBondContact OG1-CA 3.34Å; T513-V591 WeakPolarHBondContact OG1-CB 3.15Å; T513-V591 PolarHBondContact OG1-O 2.91Å; T513-P594 HydrophobicContact CG2-CB 4.24Å; T513-P597 HydrophobicContact CG2-CG 4.38Å
514	G	98.6	Very high	98.5	Very high	10 Å²	10	23.1 Å²	23.1	10%	0.103	12%	0.116	C	C	.	.	S	Bend	trans	61.4	30.2	-172.7	0	0	0	0	0	114	Y508 M511 N573	Y508-G514 WeakPolarHBondContact CD1-O 3.33Å; Y508-G514 CarbonylContact O-C 3.3Å; Y508-G514 VanDerWaalsContact O-CA 3.27Å; Y508-G514 WeakPolarHBondContact O-CA 3.3Å; M511-G514 WeakPolarHBondContact O-CA 3.42Å; M511-G514 PolarHBondContact O-N 3.05Å; G514-N573 WeakPolarHBondContact CA-ND2 3.15Å; G514-N573 PolarHBondContact O-ND2 2.88Å
515	L	98.9	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-127.7	135.2	176.4	-64.4	176.5	0	0	0	108.8	Y508 M511 T513 I570 N573 F574 T578 I588 V591	Y508-L515 HydrophobicContact CD1-CD2 4.19Å; Y508-L515 HydrophobicContact CE1-CD2 4.1Å; M511-L515 WeakPolarHBondContact CB-O 3.32Å; M511-L515 WeakPolarHBondContact CG-O 3.17Å; T513-L515 PolarHBondContact O-N 3.26Å; L515-I570 HydrophobicContact CD2-CG2 4.19Å; L515-N573 HydrophobicContact CD2-CB 3.75Å; L515-N573 HydrophobicContact CG-CB 3.98Å; L515-F574 HydrophobicContact CD1-CD1 3.92Å; L515-F574 HydrophobicContact CD1-CE1 4.2Å; L515-F574 HydrophobicContact CD2-CD1 3.72Å; L515-F574 HydrophobicContact CD2-CD2 4.4Å; L515-F574 HydrophobicContact CD2-CE1 3.77Å; L515-F574 HydrophobicContact CD2-CE2 4.46Å; L515-F574 HydrophobicContact CD2-CG 4.05Å; L515-F574 HydrophobicContact CD2-CZ 4.16Å; L515-F574 HydrophobicContact CG-CD1 4.5Å; L515-T578 HydrophobicContact CD1-CG2 3.92Å; L515-I588 HydrophobicContact CD1-CD1 4.1Å; L515-V591 HydrophobicContact CB-CG1 4.14Å; L515-V591 WeakPolarHBondContact O-CB 3.46Å; L515-V591 WeakPolarHBondContact O-CG1 3.42Å
516	S	98.8	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.			trans	-66.6	143.4	179.5	-179.3	0	0	0	0	112.3	H472 M507 Y508 N541	H472-S516 PolarHBondContact CD2-OG 2.9Å; M507-S516 WeakPolarHBondContact O-CA 3.46Å; Y508-S516 VanDerWaalsContact CD2-CB 3.48Å; S516-N541 WeakPolarHBondContact O-CB 3.44Å; S516-N541 PolarHBondContact O-ND2 3.07Å
517	P	98.8	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.			trans	-69	169.7	162.4	35.7	-40	0	0	0	111.1	M511 I519 V520 V534 D538 H540 V591	M511-P517 HydrophobicContact SD-CG 4.43Å; P517-I519 VanDerWaalsContact C-N 3.33Å; P517-I519 PolarHBondContact O-N 3.42Å; P517-V520 HydrophobicContact CG-CG1 3.52Å; P517-V534 HydrophobicContact CB-CG1 3.57Å; P517-V534 HydrophobicContact CG-CB 4.48Å; P517-V534 HydrophobicContact CG-CG1 3.75Å; P517-V534 HydrophobicContact CG-CG2 3.84Å; P517-D538 WeakPolarHBondContact CB-O 3.48Å; P517-H540 CarbonylContact C-O 3.58Å; P517-H540 VanDerWaalsContact CA-O 3.3Å; P517-H540 WeakPolarHBondContact CA-O 3.38Å; P517-V591 HydrophobicContact CB-CG2 3.92Å; P517-V591 HydrophobicContact CG-CG2 4.5Å
518	E	98.6	Very high	97.1	Very high	20 Å²	20	41 Å²	41	9%	0.093	22%	0.221	C	C	.	.	S	Bend	trans	-64	-34.4	172	-71.1	-65.8	110.2	0	0	112.9	D471 H472 D538 H540 L542 R544	D471-E518 CarbonylContact C-O 3.41Å; D471-E518 WeakPolarHBondContact CA-O 3.39Å; H472-E518 PolarHBondContact N-O 3.04Å; E518-D538 PolarHBondContact N-O 3.25Å; E518-H540 WeakPolarHBondContact CG-CD2 3.3Å; E518-H540 PolarHBondContact N-O 3.27Å; E518-L542 HydrophobicContact CG-CD1 4.45Å; E518-L542 HydrophobicContact CG-CG 4.28Å; E518-L542 WeakPolarHBondContact OE1-CG 3.5Å; E518-L542 PolarHBondContact OE1-N 2.9Å; E518-R544 WeakPolarHBondContact OE1-CD 3.49Å; E518-R544 IonicContact OE1-NE 2.62Å; E518-R544 PolarHBondContact OE1-NE 2.04Å; E518-R544 IonicContact OE2-CZ 3.36Å; E518-R544 VanDerWaalsContact OE2-CZ 3.26Å; E518-R544 IonicContact OE2-NE 2.7Å; E518-R544 PolarHBondContact OE2-NE 2.86Å; E518-R544 IonicContact OE2-NH2 2.84Å; E518-R544 PolarHBondContact OE2-NH2 3.22Å
519	I	98.8	Very high	96.8	Very high	33 Å²	33	48.8 Å²	48.8	17%	0.169	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	129.3	-176.5	-46.7	175	0	0	0	110.2	K469 P517 D538	K469-I519 HydrophobicContact CD-CG2 3.97Å; K469-I519 HydrophobicContact CG-CG2 3.61Å; P517-I519 VanDerWaalsContact C-N 3.33Å; P517-I519 PolarHBondContact O-N 3.42Å; I519-D538 HydrophobicContact CB-CB 3.9Å; I519-D538 HydrophobicContact CG1-CB 4.45Å
520	V	98.8	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.7	172.1	-64.3	0	0	0	0	111.1	K469 M470 M507 P517 F522 I532	K469-V520 WeakPolarHBondContact CA-O 3.23Å; M470-V520 HydrophobicContact CB-CG2 3.92Å; M470-V520 PolarHBondContact N-O 3.06Å; M470-V520 WeakPolarHBondContact O-CG2 3.32Å; M470-V520 PolarHBondContact O-N 3.13Å; M507-V520 HydrophobicContact CB-CG1 4.44Å; M507-V520 HydrophobicContact CE-CG1 4.14Å; M507-V520 HydrophobicContact CE-CG2 3.79Å; M507-V520 HydrophobicContact CG-CG1 4.1Å; M507-V520 HydrophobicContact CG-CG2 4.11Å; M507-V520 HydrophobicContact SD-CG2 3.95Å; P517-V520 HydrophobicContact CG-CG1 3.52Å; V520-F522 HydrophobicContact CG2-CD2 4.15Å; V520-F522 HydrophobicContact CG2-CE2 3.45Å; V520-F522 VanDerWaalsContact CG2-CE2 3.45Å; V520-F522 HydrophobicContact CG2-CZ 3.89Å; V520-I532 HydrophobicContact CB-CG2 3.86Å; V520-I532 HydrophobicContact CG1-CG2 3.65Å
521	H	98.7	Very high	96.7	Very high	25 Å²	25	48.2 Å²	48.2	12%	0.116	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.7	170.9	-65.4	67.3	0	0	0	108.7	P468 D533 K535 D538	P468-H521 CarbonylContact O-C 3.38Å; P468-H521 WeakPolarHBondContact O-CA 3.37Å; H521-D533 HydrophobicContact CB-CB 4.48Å; H521-D533 PolarHBondContact N-O 3.14Å; H521-D533 PolarHBondContact O-N 2.6Å; H521-K535 VanDerWaalsContact CE1-CE 3.49Å; H521-K535 WeakPolarHBondContact CE1-CE 3.44Å; H521-K535 PolarHBondContact CE1-NZ 3.24Å; H521-K535 VanDerWaalsContact NE2-CE 3.26Å; H521-K535 WeakPolarHBondContact NE2-CE 3.38Å; H521-K535 PolarHBondContact NE2-NZ 3.07Å; H521-D538 IonicContact CE1-OD2 2.84Å
522	F	98.7	Very high	96.6	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.9	-177.5	-72.2	-85.2	0	0	0	112.2	L455 F457 P468 M470 T503 M507 V520 D531 I532	L455-F522 HydrophobicContact CD1-CE1 4.47Å; F457-F522 HydrophobicContact CB-CD1 4.38Å; F457-F522 HydrophobicContact CB-CD2 3.68Å; F457-F522 HydrophobicContact CB-CE1 4.23Å; F457-F522 HydrophobicContact CB-CE2 3.5Å; F457-F522 HydrophobicContact CB-CG 4.12Å; F457-F522 HydrophobicContact CB-CZ 3.81Å; F457-F522 HydrophobicContact CD1-CB 3.75Å; F457-F522 HydrophobicContact CD1-CD1 4.03Å; F457-F522 AromaticContact CD1-CD2 3.92Å; F457-F522 HydrophobicContact CD1-CD2 3.92Å; F457-F522 AromaticContact CD1-CG 3.62Å; F457-F522 HydrophobicContact CD1-CG 3.62Å; F457-F522 HydrophobicContact CD2-CB 4.13Å; F457-F522 AromaticContact CD2-CD2 3.38Å; F457-F522 HydrophobicContact CD2-CD2 3.38Å; F457-F522 AromaticContact CD2-CE2 3.99Å; F457-F522 HydrophobicContact CD2-CE2 3.99Å; F457-F522 AromaticContact CD2-CG 3.91Å; F457-F522 HydrophobicContact CD2-CG 3.91Å; F457-F522 HydrophobicContact CE1-CB 3.5Å; F457-F522 VanDerWaalsContact CE1-CB 3.5Å; F457-F522 HydrophobicContact CE1-CD2 4.41Å; F457-F522 AromaticContact CE1-CG 3.94Å; F457-F522 HydrophobicContact CE1-CG 3.94Å; F457-F522 HydrophobicContact CE2-CB 3.92Å; F457-F522 AromaticContact CE2-CD2 3.95Å; F457-F522 HydrophobicContact CE2-CD2 3.95Å; F457-F522 HydrophobicContact CE2-CG 4.21Å; F457-F522 HydrophobicContact CG-CB 4.06Å; F457-F522 HydrophobicContact CG-CD1 4.2Å; F457-F522 AromaticContact CG-CD2 3.37Å; F457-F522 HydrophobicContact CG-CD2 3.37Å; F457-F522 AromaticContact CG-CE2 3.78Å; F457-F522 HydrophobicContact CG-CE2 3.78Å; F457-F522 AromaticContact CG-CG 3.6Å; F457-F522 HydrophobicContact CG-CG 3.6Å; F457-F522 HydrophobicContact CG-CZ 4.35Å; F457-F522 HydrophobicContact CZ-CB 3.59Å; F457-F522 HydrophobicContact CZ-CD2 4.42Å; F457-F522 HydrophobicContact CZ-CG 4.22Å; P468-F522 HydrophobicContact CB-CB 4.3Å; P468-F522 VanDerWaalsContact CB-O 3.27Å; P468-F522 WeakPolarHBondContact CB-O 3.48Å; P468-F522 WeakPolarHBondContact CG-O 3.4Å; P468-F522 PolarHBondContact O-N 3.2Å; M470-F522 HydrophobicContact CB-CD2 4.31Å; M470-F522 HydrophobicContact CB-CE2 3.84Å; M470-F522 HydrophobicContact CG-CE2 4.44Å; M470-F522 HydrophobicContact SD-CE2 3.78Å; M470-F522 HydrophobicContact SD-CZ 4.35Å; T503-F522 HydrophobicContact CG2-CE1 3.83Å; T503-F522 HydrophobicContact CG2-CE2 4.45Å; T503-F522 HydrophobicContact CG2-CZ 3.48Å; T503-F522 VanDerWaalsContact CG2-CZ 3.48Å; M507-F522 HydrophobicContact CG-CZ 4.23Å; M507-F522 HydrophobicContact SD-CZ 4.28Å; V520-F522 HydrophobicContact CG2-CD2 4.15Å; V520-F522 HydrophobicContact CG2-CE2 3.45Å; V520-F522 VanDerWaalsContact CG2-CE2 3.45Å; V520-F522 HydrophobicContact CG2-CZ 3.89Å; F522-D531 CarbonylContact C-O 3.54Å; F522-D531 VanDerWaalsContact CA-O 3.31Å; F522-D531 WeakPolarHBondContact CA-O 3.47Å; F522-I532 HydrophobicContact CD1-CG1 3.85Å; F522-I532 HydrophobicContact CE1-CD1 3.86Å; F522-I532 HydrophobicContact CE1-CG1 3.47Å; F522-I532 VanDerWaalsContact CE1-CG1 3.47Å; F522-I532 HydrophobicContact CZ-CD1 4.23Å; F522-I532 HydrophobicContact CZ-CG1 4.09Å
523	N	98.1	Very high	96.6	Very high	30 Å²	30	45.8 Å²	45.8	16%	0.16	24%	0.24	C	C	.	.			trans	-75.7	128.3	168.3	-85.5	-67	0	0	0	109.9	S450 S451 R530 D531 D533	S450-N523 CarbonylContact C-O 3.57Å; S450-N523 VanDerWaalsContact CA-O 3.22Å; S450-N523 WeakPolarHBondContact CA-O 3.34Å; S451-N523 PolarHBondContact N-O 3.35Å; N523-R530 WeakPolarHBondContact CB-O 3.16Å; N523-R530 PolarHBondContact ND2-O 2.98Å; N523-D531 PolarHBondContact N-O 2.95Å; N523-D533 VanDerWaalsContact ND2-CG 3.34Å; N523-D533 PolarHBondContact ND2-OD2 2.97Å
524	M	96.8	Very high	96.6	Very high	71 Å²	71	46.2 Å²	46.2	35%	0.35	24%	0.243	S	C	.	.			trans	-114.6	-5.8	177.9	-62.5	173	64	0	0	113.1	Q448 F457 F466 P468	Q448-M524 HydrophobicContact CB-CE 3.84Å; Q448-M524 HydrophobicContact CB-SD 4.32Å; Q448-M524 HydrophobicContact CG-CE 3.65Å; Q448-M524 HydrophobicContact CG-SD 4.36Å; Q448-M524 VanDerWaalsContact OE1-CE 3.32Å; F457-M524 HydrophobicContact CE1-CG 4.19Å; F457-M524 HydrophobicContact CZ-CG 4.03Å; F457-M524 HydrophobicContact CZ-SD 3.92Å; F466-M524 HydrophobicContact CD1-SD 4.18Å; F466-M524 HydrophobicContact CE1-CE 4.42Å; F466-M524 HydrophobicContact CE1-SD 3.77Å; P468-M524 HydrophobicContact CB-SD 4.05Å
525	H	93.7	Very high	96.6	Very high	147 Å²	147	51 Å²	51	68%	0.681	26%	0.261	S	S	*	.	S	Bend	trans	-83	134.4	-175.1	-63.5	-56.3	0	0	0	111.9	S451 G527 S528	S451-H525 VanDerWaalsContact CB-O 3.32Å; S451-H525 WeakPolarHBondContact CB-O 3.31Å; S451-H525 PolarHBondContact OG-O 2.92Å; H525-G527 PolarHBondContact O-N 2.86Å; H525-S528 WeakPolarHBondContact O-CB 3.23Å; H525-S528 PolarHBondContact O-N 3.3Å; H525-S528 VanDerWaalsContact O-N 3.09Å; H525-S528 PolarHBondContact O-OG 3.14Å; H525-S528 VanDerWaalsContact O-OG 3.07Å
526	Q	88.2	Confident	96.5	Very high	200 Å²	200	56.1 Å²	56.1	94%	0.935	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	127.2	175.4	-169	177.2	21.7	0	0	110.6
527	G	89.1	Confident	96.5	Very high	66 Å²	66	59.7 Å²	59.7	68%	0.68	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	4	-175.2	0	0	0	0	0	114.7	H525	H525-G527 PolarHBondContact O-N 2.86Å
528	S	93.7	Very high	96.4	Very high	23 Å²	23	60.8 Å²	60.8	16%	0.161	33%	0.33	C	S	.	.			trans	-60	138.6	165.5	-72.1	0	0	0	0	111.2	S451 P452 H525	S451-S528 WeakPolarHBondContact O-CB 3.5Å; P452-S528 WeakPolarHBondContact CD-O 3.33Å; H525-S528 WeakPolarHBondContact O-CB 3.23Å; H525-S528 PolarHBondContact O-N 3.3Å; H525-S528 VanDerWaalsContact O-N 3.09Å; H525-S528 PolarHBondContact O-OG 3.14Å; H525-S528 VanDerWaalsContact O-OG 3.07Å
529	I	94.1	Very high	96.4	Very high	166 Å²	166	63.5 Å²	63.5	85%	0.851	34%	0.339	S	S	*	.	S	Bend	trans	-87.5	-13.7	-175.6	61.5	172.8	0	0	0	113.8
530	R	94.3	Very high	96.4	Very high	100 Å²	100	63.9 Å²	63.9	38%	0.377	34%	0.34	S	S	.	.			trans	-151.7	148.1	178.1	67.6	-179.5	-172.4	165.2	4.7	110	S451 N523 I532 D533	S451-R530 CarbonylContact O-C 3.58Å; N523-R530 WeakPolarHBondContact CB-O 3.16Å; N523-R530 PolarHBondContact ND2-O 2.98Å; R530-I532 VanDerWaalsContact CD-O 3.27Å; R530-I532 WeakPolarHBondContact CD-O 3.33Å; R530-I532 VanDerWaalsContact CZ-O 3.31Å; R530-I532 PolarHBondContact NE-O 3.33Å; R530-D533 IonicContact CZ-OD1 3.26Å; R530-D533 IonicContact NE-OD1 2.83Å; R530-D533 PolarHBondContact NE-OD1 2.91Å; R530-D533 IonicContact NH2-OD1 3.08Å; R530-D533 PolarHBondContact NH2-OD1 3.36Å
531	D	97.7	Very high	96.4	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.34	C	S	.	.	S	Bend	trans	-71.1	-37.1	179.4	-56	-79.6	0	0	0	112.1	S450 S451 N453 L455 Q510 F522 N523	S450-D531 WeakPolarHBondContact CB-OD1 3.27Å; S450-D531 PolarHBondContact OG-OD1 3.23Å; S451-D531 VanDerWaalsContact C-OD1 3.3Å; S451-D531 WeakPolarHBondContact O-CA 3.37Å; N453-D531 WeakPolarHBondContact CB-OD2 3.33Å; N453-D531 PolarHBondContact N-OD1 3.43Å; N453-D531 PolarHBondContact ND2-OD2 2.98Å; L455-D531 HydrophobicContact CD1-CB 3.83Å; Q510-D531 PolarHBondContact NE2-OD2 3.05Å; F522-D531 CarbonylContact C-O 3.54Å; F522-D531 VanDerWaalsContact CA-O 3.31Å; F522-D531 WeakPolarHBondContact CA-O 3.47Å; N523-D531 PolarHBondContact N-O 2.95Å
532	I	98.1	Very high	96.4	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.8	-167.1	-69	166.9	0	0	0	111.7	M507 M511 V520 F522 R530 V534	M507-I532 HydrophobicContact CB-CD1 4.33Å; M507-I532 HydrophobicContact CG-CD1 3.77Å; M511-I532 HydrophobicContact CE-CG2 3.76Å; V520-I532 HydrophobicContact CB-CG2 3.86Å; V520-I532 HydrophobicContact CG1-CG2 3.65Å; F522-I532 HydrophobicContact CD1-CG1 3.85Å; F522-I532 HydrophobicContact CE1-CD1 3.86Å; F522-I532 HydrophobicContact CE1-CG1 3.47Å; F522-I532 VanDerWaalsContact CE1-CG1 3.47Å; F522-I532 HydrophobicContact CZ-CD1 4.23Å; F522-I532 HydrophobicContact CZ-CG1 4.09Å; R530-I532 VanDerWaalsContact CD-O 3.27Å; R530-I532 WeakPolarHBondContact CD-O 3.33Å; R530-I532 VanDerWaalsContact CZ-O 3.31Å; R530-I532 PolarHBondContact NE-O 3.33Å; I532-V534 HydrophobicContact CG2-CG2 3.92Å
533	D	97.5	Very high	96.5	Very high	61 Å²	61	63.2 Å²	63.2	33%	0.326	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141.6	163.1	-77.7	-39.5	0	0	0	111.2	H521 N523 R530	H521-D533 HydrophobicContact CB-CB 4.48Å; H521-D533 PolarHBondContact N-O 3.14Å; H521-D533 PolarHBondContact O-N 2.6Å; N523-D533 VanDerWaalsContact ND2-CG 3.34Å; N523-D533 PolarHBondContact ND2-OD2 2.97Å; R530-D533 IonicContact CZ-OD1 3.26Å; R530-D533 IonicContact NE-OD1 2.83Å; R530-D533 PolarHBondContact NE-OD1 2.91Å; R530-D533 IonicContact NH2-OD1 3.08Å; R530-D533 PolarHBondContact NH2-OD1 3.36Å
534	V	98.2	Very high	96.5	Very high	10 Å²	10	63.9 Å²	63.9	6%	0.061	34%	0.338	C	S	.	.			trans	-125.8	117.3	178.1	-166.6	0	0	0	0	109.5	M511 P517 I532 D538 R539	M511-V534 HydrophobicContact CE-CG2 3.68Å; M511-V534 HydrophobicContact SD-CG2 3.69Å; P517-V534 HydrophobicContact CB-CG1 3.57Å; P517-V534 HydrophobicContact CG-CB 4.48Å; P517-V534 HydrophobicContact CG-CG1 3.75Å; P517-V534 HydrophobicContact CG-CG2 3.84Å; I532-V534 HydrophobicContact CG2-CG2 3.92Å; V534-D538 HydrophobicContact CG1-CB 4.35Å; V534-R539 HydrophobicContact CB-CG 4.3Å; V534-R539 HydrophobicContact CG1-CB 4.32Å; V534-R539 HydrophobicContact CG1-CG 3.61Å
535	K	98.1	Very high	96.6	Very high	111 Å²	111	60.6 Å²	60.6	48%	0.483	32%	0.322	S	S	.	.			trans	-68.8	147.2	178.4	-62.3	171.6	175.5	162.1	0	109.6	H521 A537 D538 R539	H521-K535 VanDerWaalsContact CE1-CE 3.49Å; H521-K535 WeakPolarHBondContact CE1-CE 3.44Å; H521-K535 PolarHBondContact CE1-NZ 3.24Å; H521-K535 VanDerWaalsContact NE2-CE 3.26Å; H521-K535 WeakPolarHBondContact NE2-CE 3.38Å; H521-K535 PolarHBondContact NE2-NZ 3.07Å; K535-A537 PolarHBondContact O-N 3.12Å; K535-A537 VanDerWaalsContact O-N 3.09Å; K535-D538 HydrophobicContact CB-CB 4.43Å; K535-D538 WeakPolarHBondContact CB-OD2 3.47Å; K535-D538 WeakPolarHBondContact CD-OD2 3.38Å; K535-D538 PolarHBondContact O-N 3.29Å; K535-R539 WeakPolarHBondContact O-CG 3.32Å; K535-R539 PolarHBondContact O-N 3.12Å
536	P	97.9	Very high	96.8	Very high	106 Å²	106	54.4 Å²	54.4	69%	0.688	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.3	-175.2	-29.1	36.3	0	0	0	116.1	D538	P536-D538 VanDerWaalsContact C-N 3.31Å
537	A	97.9	Very high	97.4	Very high	76 Å²	76	44.9 Å²	44.9	63%	0.628	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.1	176.5	0	0	0	0	0	113.1	K535 H540	K535-A537 PolarHBondContact O-N 3.12Å; K535-A537 VanDerWaalsContact O-N 3.09Å; A537-H540 PolarHBondContact O-CE1 2.85Å; A537-H540 PolarHBondContact O-ND1 2.88Å
538	D	98.4	Very high	97.8	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-9.8	-166.9	-56.4	-7.8	0	0	0	112.1	P517 E518 I519 H521 V534 K535 P536 H540	P517-D538 WeakPolarHBondContact CB-O 3.48Å; E518-D538 PolarHBondContact N-O 3.25Å; I519-D538 HydrophobicContact CB-CB 3.9Å; I519-D538 HydrophobicContact CG1-CB 4.45Å; H521-D538 IonicContact CE1-OD2 2.84Å; V534-D538 HydrophobicContact CG1-CB 4.35Å; K535-D538 HydrophobicContact CB-CB 4.43Å; K535-D538 WeakPolarHBondContact CB-OD2 3.47Å; K535-D538 WeakPolarHBondContact CD-OD2 3.38Å; K535-D538 PolarHBondContact O-N 3.29Å; P536-D538 VanDerWaalsContact C-N 3.31Å; D538-H540 PolarHBondContact O-N 3.4Å
539	R	98.6	Very high	98.1	Very high	77 Å²	77	41 Å²	41	29%	0.291	21%	0.21	S	C	.	.			trans	-67.7	4.1	-175.5	-58.6	-175.5	-178.5	-179.2	-5.9	115.9	V534 K535 N589 N590 V591	V534-R539 HydrophobicContact CB-CG 4.3Å; V534-R539 HydrophobicContact CG1-CB 4.32Å; V534-R539 HydrophobicContact CG1-CG 3.61Å; K535-R539 WeakPolarHBondContact O-CG 3.32Å; K535-R539 PolarHBondContact O-N 3.12Å; R539-N589 CarbonylContact C-O 3.24Å; R539-N589 VanDerWaalsContact C-O 3.3Å; R539-N589 CarbonylContact O-C 3.51Å; R539-N590 WeakPolarHBondContact CD-OD1 3.35Å; R539-N590 CarbonylContact O-C 3.53Å; R539-N590 VanDerWaalsContact O-CA 3.31Å; R539-N590 WeakPolarHBondContact O-CA 3.4Å; R539-N590 PolarHBondContact O-N 2.86Å; R539-V591 PolarHBondContact O-N 2.94Å
540	H	98.7	Very high	98.3	Very high	40 Å²	40	33.1 Å²	33.1	19%	0.185	17%	0.17	C	C	.	.			trans	-76.9	153	177.7	52.6	-70.4	0	0	0	110.2	P517 E518 A537 D538 I588 N589	P517-H540 CarbonylContact C-O 3.58Å; P517-H540 VanDerWaalsContact CA-O 3.3Å; P517-H540 WeakPolarHBondContact CA-O 3.38Å; E518-H540 WeakPolarHBondContact CG-CD2 3.3Å; E518-H540 PolarHBondContact N-O 3.27Å; A537-H540 PolarHBondContact O-CE1 2.85Å; A537-H540 PolarHBondContact O-ND1 2.88Å; D538-H540 PolarHBondContact O-N 3.4Å; H540-I588 CarbonylContact C-O 3.6Å; H540-I588 WeakPolarHBondContact CA-O 3.42Å; H540-I588 VanDerWaalsContact CB-O 3.23Å; H540-I588 WeakPolarHBondContact CB-O 3.45Å; H540-N589 PolarHBondContact N-O 3.31Å
541	N	98.9	Very high	98.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-127	126.5	168.9	174.9	-80.9	0	0	0	107.3	S516 L543 S587 I588 V591	S516-N541 WeakPolarHBondContact O-CB 3.44Å; S516-N541 PolarHBondContact O-ND2 3.07Å; N541-L543 WeakPolarHBondContact OD1-CA 3.4Å; N541-L543 PolarHBondContact OD1-N 3.27Å; N541-S587 CarbonylContact O-C 3.5Å; N541-S587 VanDerWaalsContact O-CA 3.31Å; N541-S587 WeakPolarHBondContact O-CA 3.45Å; N541-S587 WeakPolarHBondContact O-CB 3.3Å; N541-I588 HydrophobicContact CB-CD1 4.38Å; N541-I588 HydrophobicContact CB-CG1 3.92Å; N541-I588 PolarHBondContact N-O 2.88Å; N541-I588 PolarHBondContact O-N 2.59Å; N541-V591 HydrophobicContact CB-CG1 3.6Å
542	L	98.8	Very high	98.6	Very high	18 Å²	18	28.3 Å²	28.3	9%	0.094	15%	0.151	C	C	.	.			trans	-96.2	14.3	-176.1	-59.7	-176.7	0	0	0	114.4	E518 R544 S587 E604 F606	E518-L542 HydrophobicContact CG-CD1 4.45Å; E518-L542 HydrophobicContact CG-CG 4.28Å; E518-L542 WeakPolarHBondContact OE1-CG 3.5Å; E518-L542 PolarHBondContact OE1-N 2.9Å; L542-R544 HydrophobicContact CB-CG 4.13Å; L542-S587 PolarHBondContact O-OG 2.72Å; L542-E604 HydrophobicContact CB-CG 4.45Å; L542-E604 WeakPolarHBondContact O-CG 3.49Å; L542-F606 HydrophobicContact CB-CZ 4.28Å; L542-F606 VanDerWaalsContact O-CE2 3.28Å; L542-F606 WeakPolarHBondContact O-CE2 3.43Å
543	L	98.8	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.			trans	69.9	28.3	-173.2	-44.4	177	0	0	0	114.2	N541 F574 T578 M603 F607 T611	N541-L543 WeakPolarHBondContact OD1-CA 3.4Å; N541-L543 PolarHBondContact OD1-N 3.27Å; L543-F574 HydrophobicContact CB-CE1 4.43Å; L543-F574 HydrophobicContact CD2-CD1 3.85Å; L543-F574 HydrophobicContact CD2-CE1 3.81Å; L543-T578 HydrophobicContact CD2-CG2 3.7Å; L543-M603 HydrophobicContact CD1-CG 4.41Å; L543-F607 HydrophobicContact CB-CB 4.18Å; L543-F607 HydrophobicContact CB-CD2 3.6Å; L543-F607 HydrophobicContact CB-CE2 4.3Å; L543-F607 HydrophobicContact CB-CG 4.1Å; L543-F607 HydrophobicContact CD1-CB 4.17Å; L543-F607 HydrophobicContact CD1-CD1 4.37Å; L543-F607 HydrophobicContact CD1-CD2 4.05Å; L543-F607 HydrophobicContact CD1-CG 3.92Å; L543-F607 HydrophobicContact CG-CD2 4.34Å; L543-T611 PolarHBondContact O-OG1 3.06Å
544	R	98.8	Very high	98.7	Very high	44 Å²	44	25.4 Å²	25.4	17%	0.166	14%	0.136	C	C	.	.			trans	-69.1	154.5	-170.7	-63.2	-169.3	172.9	-80.6	-1.4	115.7	H472 E518 L542 E546 F606	H472-R544 WeakPolarHBondContact CE1-CB 3.34Å; H472-R544 WeakPolarHBondContact CE1-CD 3.19Å; H472-R544 PolarHBondContact NE2-O 3.11Å; E518-R544 WeakPolarHBondContact OE1-CD 3.49Å; E518-R544 IonicContact OE1-NE 2.62Å; E518-R544 PolarHBondContact OE1-NE 2.04Å; E518-R544 IonicContact OE2-CZ 3.36Å; E518-R544 VanDerWaalsContact OE2-CZ 3.26Å; E518-R544 IonicContact OE2-NE 2.7Å; E518-R544 PolarHBondContact OE2-NE 2.86Å; E518-R544 IonicContact OE2-NH2 2.84Å; E518-R544 PolarHBondContact OE2-NH2 3.22Å; L542-R544 HydrophobicContact CB-CG 4.13Å; R544-E546 WeakPolarHBondContact CB-OE2 3.46Å; R544-E546 IonicContact NH1-OE1 3.04Å; R544-F606 HydrophobicContact CB-CE2 4.37Å; R544-F606 HydrophobicContact CG-CE2 4Å; R544-F606 HydrophobicContact CG-CZ 4.1Å
545	P	98.9	Very high	98.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.134	C	C	.	.			trans	-94.6	-18.4	-171.6	36.7	-38.6	0	0	0	116.6	T547 V548 E549 E610 T611 Y614	P545-T547 VanDerWaalsContact C-N 3.25Å; P545-T547 CarbonylContact O-C 3.59Å; P545-T547 PolarHBondContact O-N 2.99Å; P545-V548 HydrophobicContact CB-CG1 4.36Å; P545-V548 CarbonylContact O-C 3.48Å; P545-V548 WeakPolarHBondContact O-CA 3.35Å; P545-V548 WeakPolarHBondContact O-CG1 3.36Å; P545-V548 PolarHBondContact O-N 3.29Å; P545-E549 PolarHBondContact O-N 3.44Å; P545-E610 HydrophobicContact CB-CB 3.54Å; P545-E610 HydrophobicContact CG-CB 3.73Å; P545-E610 HydrophobicContact CG-CG 4.31Å; P545-E610 WeakPolarHBondContact CG-OE1 3.4Å; P545-T611 WeakPolarHBondContact CA-OG1 3.49Å; P545-T611 WeakPolarHBondContact CB-OG1 3.39Å; P545-Y614 HydrophobicContact CB-CD2 4.35Å
546	E	98.9	Very high	98.7	Very high	17 Å²	17	20.6 Å²	20.6	8%	0.079	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-32.5	-153.7	-52.1	81.9	-177.3	0	0	112.5	H472 L473 C475 F476 R544 S550	H472-E546 IonicContact CE1-OE1 3.85Å; H472-E546 IonicContact CE1-OE2 3.42Å; H472-E546 PolarHBondContact CE1-OE2 2.89Å; H472-E546 IonicContact CG-OE2 3.85Å; H472-E546 IonicContact ND1-OE2 2.83Å; H472-E546 PolarHBondContact ND1-OE2 3.11Å; H472-E546 PolarHBondContact NE2-N 3.42Å; H472-E546 IonicContact NE2-OE2 3.42Å; H472-E546 PolarHBondContact NE2-OE2 3.08Å; L473-E546 VanDerWaalsContact CD2-OE1 3.3Å; L473-E546 WeakPolarHBondContact CD2-OE1 3.48Å; C475-E546 HydrophobicContact CB-CB 4.25Å; C475-E546 CarbonylContact O-C 3.57Å; F476-E546 HydrophobicContact CB-CB 4.39Å; R544-E546 WeakPolarHBondContact CB-OE2 3.46Å; R544-E546 IonicContact NH1-OE1 3.04Å; E546-S550 PolarHBondContact O-N 2.69Å; E546-S550 PolarHBondContact O-OG 2.85Å
547	T	98.9	Very high	98.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.3	-41.7	171.3	-66.8	0	0	0	0	112.6	H472 C475 M501 C504 Y508 P545 S550 L551 I570	H472-T547 PolarHBondContact NE2-N 3.43Å; C475-T547 WeakPolarHBondContact CB-OG1 3.32Å; M501-T547 HydrophobicContact CE-CG2 3.86Å; C504-T547 HydrophobicContact CB-CG2 4.46Å; Y508-T547 HydrophobicContact CD2-CG2 4.04Å; Y508-T547 HydrophobicContact CE2-CG2 3.64Å; Y508-T547 VanDerWaalsContact CE2-OG1 3.31Å; Y508-T547 WeakPolarHBondContact CE2-OG1 3.43Å; P545-T547 VanDerWaalsContact C-N 3.25Å; P545-T547 CarbonylContact O-C 3.59Å; P545-T547 PolarHBondContact O-N 2.99Å; T547-S550 PolarHBondContact O-N 2.69Å; T547-L551 HydrophobicContact CG2-CD1 4.41Å; T547-L551 VanDerWaalsContact O-CG 3.23Å; T547-L551 WeakPolarHBondContact O-CG 3.4Å; T547-L551 PolarHBondContact O-N 2.91Å; T547-I570 HydrophobicContact CG2-CD1 3.92Å
548	V	98.9	Very high	98.7	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-75	-32.2	177.6	61.1	0	0	0	0	112.7	P545 L551 F552 T611 F615 L618	P545-V548 HydrophobicContact CB-CG1 4.36Å; P545-V548 CarbonylContact O-C 3.48Å; P545-V548 WeakPolarHBondContact O-CA 3.35Å; P545-V548 WeakPolarHBondContact O-CG1 3.36Å; P545-V548 PolarHBondContact O-N 3.29Å; V548-L551 PolarHBondContact O-N 3.48Å; V548-F552 WeakPolarHBondContact O-CB 3.29Å; V548-F552 PolarHBondContact O-N 3.38Å; V548-T611 HydrophobicContact CG1-CG2 4.23Å; V548-F615 HydrophobicContact CB-CD1 4.36Å; V548-F615 HydrophobicContact CB-CE1 3.96Å; V548-F615 HydrophobicContact CB-CZ 4.04Å; V548-F615 HydrophobicContact CG1-CE2 4.34Å; V548-F615 HydrophobicContact CG1-CZ 4.33Å; V548-F615 HydrophobicContact CG2-CB 4.43Å; V548-F615 HydrophobicContact CG2-CD1 3.4Å; V548-F615 HydrophobicContact CG2-CD2 4.27Å; V548-F615 HydrophobicContact CG2-CE1 3.46Å; V548-F615 VanDerWaalsContact CG2-CE1 3.46Å; V548-F615 HydrophobicContact CG2-CE2 4.36Å; V548-F615 HydrophobicContact CG2-CG 3.78Å; V548-F615 HydrophobicContact CG2-CZ 3.96Å; V548-L618 HydrophobicContact CG2-CD2 4.17Å
549	E	98.9	Very high	98.6	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-54.2	-53.8	166.8	175.7	-175.2	-159.3	0	0	110.5	K419 P545 L551 F552 Y553 Y614	K419-E549 IonicContact NZ-OE1 3.76Å; P545-E549 PolarHBondContact O-N 3.44Å; E549-L551 VanDerWaalsContact C-N 3.34Å; E549-L551 PolarHBondContact O-N 2.89Å; E549-F552 WeakPolarHBondContact O-CB 3.45Å; E549-F552 PolarHBondContact O-N 3.28Å; E549-F552 VanDerWaalsContact O-N 3.13Å; E549-Y553 HydrophobicContact CG-CD2 3.85Å; E549-Y553 HydrophobicContact CG-CE2 3.69Å; E549-Y553 WeakPolarHBondContact O-CD2 3.34Å; E549-Y553 PolarHBondContact O-N 2.87Å; E549-Y614 HydrophobicContact CB-CD2 3.68Å; E549-Y614 HydrophobicContact CB-CE1 4.46Å; E549-Y614 HydrophobicContact CB-CE2 3.53Å; E549-Y614 HydrophobicContact CB-CG 4.2Å; E549-Y614 HydrophobicContact CG-CD2 4.29Å; E549-Y614 HydrophobicContact CG-CE1 4.12Å; E549-Y614 HydrophobicContact CG-CE2 3.69Å; E549-Y614 PolarHBondContact OE1-OH 2.84Å
550	S	98.9	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.5	-39.7	179.2	-79.6	0	0	0	0	112.5	C475 P478 G479 M501 E546 T547 F552 Y553 L554	C475-S550 WeakPolarHBondContact O-CB 3.22Å; C475-S550 PolarHBondContact O-OG 2.86Å; P478-S550 WeakPolarHBondContact CD-OG 2.99Å; G479-S550 PolarHBondContact N-OG 3.46Å; M501-S550 WeakPolarHBondContact SD-CB 3.44Å; E546-S550 PolarHBondContact O-N 2.69Å; E546-S550 PolarHBondContact O-OG 2.85Å; T547-S550 PolarHBondContact O-N 2.69Å; S550-F552 VanDerWaalsContact C-N 3.31Å; S550-F552 PolarHBondContact O-N 3.18Å; S550-Y553 PolarHBondContact O-N 3.08Å; S550-L554 WeakPolarHBondContact O-CB 3.32Å; S550-L554 VanDerWaalsContact O-CD2 3.3Å; S550-L554 WeakPolarHBondContact O-CD2 3.43Å; S550-L554 PolarHBondContact O-N 3.5Å
551	L	98.9	Very high	98.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-42.2	173.7	-70.8	172.1	0	0	0	111.6	M501 T547 V548 E549 Y555 Y563 W566 I570 L618	M501-L551 HydrophobicContact CE-CD2 3.7Å; M501-L551 HydrophobicContact CE-CG 3.78Å; M501-L551 HydrophobicContact CG-CD2 4.19Å; M501-L551 HydrophobicContact SD-CB 4.48Å; M501-L551 HydrophobicContact SD-CD2 3.71Å; M501-L551 HydrophobicContact SD-CG 3.94Å; M501-L551 PolarHBondContact SD-N 3.22Å; M501-L551 VanDerWaalsContact SD-N 3.43Å; T547-L551 HydrophobicContact CG2-CD1 4.41Å; T547-L551 VanDerWaalsContact O-CG 3.23Å; T547-L551 WeakPolarHBondContact O-CG 3.4Å; T547-L551 PolarHBondContact O-N 2.91Å; V548-L551 PolarHBondContact O-N 3.48Å; E549-L551 VanDerWaalsContact C-N 3.34Å; E549-L551 PolarHBondContact O-N 2.89Å; L551-Y555 VanDerWaalsContact O-CB 3.29Å; L551-Y555 WeakPolarHBondContact O-CB 3.43Å; L551-Y555 PolarHBondContact O-N 2.96Å; L551-Y563 HydrophobicContact CD2-CD1 3.71Å; L551-Y563 HydrophobicContact CD2-CG 4.3Å; L551-W566 HydrophobicContact CD1-CB 4.27Å; L551-W566 HydrophobicContact CD2-CB 3.98Å; L551-W566 HydrophobicContact CD2-CE3 3.84Å; L551-I570 HydrophobicContact CD1-CD1 4.03Å; L551-L618 HydrophobicContact CB-CD1 4.26Å; L551-L618 HydrophobicContact CB-CD2 3.87Å; L551-L618 HydrophobicContact CD1-CD2 4.38Å; L551-L618 WeakPolarHBondContact O-CD1 3.47Å
552	F	98.9	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-53.1	176.4	156.2	-103.8	0	0	0	111.3	V548 E549 S550 Y555 R556 Y614 L617 L618 L628 F633	V548-F552 WeakPolarHBondContact O-CB 3.29Å; V548-F552 PolarHBondContact O-N 3.38Å; E549-F552 WeakPolarHBondContact O-CB 3.45Å; E549-F552 PolarHBondContact O-N 3.28Å; E549-F552 VanDerWaalsContact O-N 3.13Å; S550-F552 VanDerWaalsContact C-N 3.31Å; S550-F552 PolarHBondContact O-N 3.18Å; F552-Y555 PolarHBondContact O-N 2.91Å; F552-R556 HydrophobicContact CD2-CG 3.78Å; F552-R556 HydrophobicContact CE2-CG 3.38Å; F552-R556 HydrophobicContact CZ-CG 3.85Å; F552-R556 WeakPolarHBondContact O-CB 3.35Å; F552-R556 WeakPolarHBondContact O-CG 3.24Å; F552-R556 PolarHBondContact O-N 3.36Å; F552-Y614 HydrophobicContact CB-CD1 4.15Å; F552-Y614 AromaticContact CD1-CD1 3.65Å; F552-Y614 HydrophobicContact CD1-CD1 3.65Å; F552-Y614 AromaticContact CD1-CE1 3.79Å; F552-Y614 HydrophobicContact CD1-CE1 3.79Å; F552-Y614 HydrophobicContact CE1-CD1 4.26Å; F552-Y614 HydrophobicContact CE1-CE1 4.1Å; F552-Y614 AromaticContact CG-CD1 3.95Å; F552-Y614 HydrophobicContact CG-CD1 3.95Å; F552-L617 HydrophobicContact CD2-CB 3.59Å; F552-L617 HydrophobicContact CE2-CB 3.56Å; F552-L617 HydrophobicContact CE2-CD1 4.32Å; F552-L617 HydrophobicContact CE2-CG 4.46Å; F552-L617 HydrophobicContact CG-CB 4.47Å; F552-L617 HydrophobicContact CZ-CB 4.42Å; F552-L617 HydrophobicContact CZ-CD1 4.41Å; F552-L618 HydrophobicContact CB-CB 4.29Å; F552-L628 HydrophobicContact CE1-CD1 4.17Å; F552-L628 HydrophobicContact CE1-CD2 4.16Å; F552-L628 HydrophobicContact CZ-CD1 3.96Å; F552-L628 HydrophobicContact CZ-CD2 4Å; F552-L628 HydrophobicContact CZ-CG 4.23Å; F552-F633 HydrophobicContact CE1-CD2 4.19Å; F552-F633 AromaticContact CE1-CE2 3.69Å; F552-F633 HydrophobicContact CE1-CE2 3.69Å; F552-F633 AromaticContact CZ-CE2 3.79Å; F552-F633 HydrophobicContact CZ-CE2 3.79Å; F552-F633 HydrophobicContact CZ-CZ 4.46Å
553	Y	98.9	Very high	98.5	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-47.2	178.7	-78.1	-63.9	0	0	0	112.2	L483 E549 S550 Y555 R556 F557 L628	L483-Y553 HydrophobicContact CB-CD1 4.31Å; L483-Y553 HydrophobicContact CB-CE1 4.31Å; L483-Y553 HydrophobicContact CD1-CD1 4.47Å; L483-Y553 HydrophobicContact CD1-CE1 4Å; L483-Y553 HydrophobicContact CD2-CE1 4.18Å; L483-Y553 HydrophobicContact CG-CE1 4.39Å; E549-Y553 HydrophobicContact CG-CD2 3.85Å; E549-Y553 HydrophobicContact CG-CE2 3.69Å; E549-Y553 WeakPolarHBondContact O-CD2 3.34Å; E549-Y553 PolarHBondContact O-N 2.87Å; S550-Y553 PolarHBondContact O-N 3.08Å; Y553-Y555 VanDerWaalsContact C-N 3.35Å; Y553-Y555 PolarHBondContact O-N 3.24Å; Y553-R556 PolarHBondContact O-N 2.7Å; Y553-F557 AromaticContact CD1-CE2 3.61Å; Y553-F557 HydrophobicContact CD1-CE2 3.61Å; Y553-F557 AromaticContact CD1-CZ 3.88Å; Y553-F557 HydrophobicContact CD1-CZ 3.88Å; Y553-F557 HydrophobicContact CE1-CZ 4.49Å; Y553-F557 HydrophobicContact CG-CE2 4.25Å; Y553-F557 WeakPolarHBondContact O-CD2 3.14Å; Y553-F557 WeakPolarHBondContact O-CG 3.48Å; Y553-F557 PolarHBondContact O-N 3.1Å; Y553-F557 VanDerWaalsContact O-N 3.09Å; Y553-L628 HydrophobicContact CD1-CD1 3.82Å; Y553-L628 HydrophobicContact CE1-CD1 3.88Å; Y553-L628 HydrophobicContact CE1-CD2 3.94Å
554	L	98.9	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-42.8	178.1	-91.7	-63.1	0	0	0	111.4	P478 A482 M494 A497 K498 M501 S550 T558 Y563	P478-L554 HydrophobicContact CB-CD2 4.2Å; A482-L554 HydrophobicContact CB-CD1 4.24Å; A482-L554 HydrophobicContact CB-CD2 3.67Å; M494-L554 HydrophobicContact SD-CD1 3.99Å; A497-L554 HydrophobicContact CB-CD1 4.34Å; A497-L554 HydrophobicContact CB-CD2 4.33Å; K498-L554 HydrophobicContact CG-CD1 4.24Å; M501-L554 HydrophobicContact CB-CG 4.26Å; M501-L554 HydrophobicContact CG-CG 4.1Å; M501-L554 HydrophobicContact SD-CD2 4.5Å; M501-L554 HydrophobicContact SD-CG 4.5Å; S550-L554 WeakPolarHBondContact O-CB 3.32Å; S550-L554 VanDerWaalsContact O-CD2 3.3Å; S550-L554 WeakPolarHBondContact O-CD2 3.43Å; S550-L554 PolarHBondContact O-N 3.5Å; L554-T558 HydrophobicContact CD1-CG2 4.27Å; L554-T558 VanDerWaalsContact O-CB 3.31Å; L554-T558 WeakPolarHBondContact O-CB 3.43Å; L554-T558 WeakPolarHBondContact O-CG2 3.48Å; L554-T558 PolarHBondContact O-N 3.25Å; L554-T558 PolarHBondContact O-OG1 2.9Å; L554-Y563 HydrophobicContact CB-CD1 4.2Å; L554-Y563 HydrophobicContact CB-CD2 3.85Å; L554-Y563 HydrophobicContact CB-CE1 4.11Å; L554-Y563 HydrophobicContact CB-CE2 3.77Å; L554-Y563 HydrophobicContact CB-CG 4.08Å; L554-Y563 HydrophobicContact CD1-CE2 4.33Å; L554-Y563 HydrophobicContact CG-CE1 4.31Å; L554-Y563 HydrophobicContact CG-CE2 4.37Å
555	Y	98.8	Very high	98.5	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-46.7	174	173.9	-109.4	0	0	0	112.1	L551 F552 Y553 F557 K559 R561 Q564 L618 E621	L551-Y555 VanDerWaalsContact O-CB 3.29Å; L551-Y555 WeakPolarHBondContact O-CB 3.43Å; L551-Y555 PolarHBondContact O-N 2.96Å; F552-Y555 PolarHBondContact O-N 2.91Å; Y553-Y555 VanDerWaalsContact C-N 3.35Å; Y553-Y555 PolarHBondContact O-N 3.24Å; Y555-F557 VanDerWaalsContact C-N 3.3Å; Y555-F557 PolarHBondContact O-N 2.62Å; Y555-K559 VanDerWaalsContact O-CA 3.25Å; Y555-K559 WeakPolarHBondContact O-CA 3.31Å; Y555-K559 PolarHBondContact O-N 2.84Å; Y555-R561 HydrophobicContact CE2-CG 4.46Å; Y555-Q564 HydrophobicContact CD1-CG 4.2Å; Y555-Q564 HydrophobicContact CD2-CG 3.59Å; Y555-Q564 HydrophobicContact CE1-CG 4.3Å; Y555-Q564 HydrophobicContact CE2-CG 3.71Å; Y555-Q564 HydrophobicContact CG-CG 3.85Å; Y555-Q564 PolarHBondContact OH-NE2 3.13Å; Y555-L618 HydrophobicContact CD1-CD1 4.18Å; Y555-L618 VanDerWaalsContact CD1-O 3.3Å; Y555-L618 WeakPolarHBondContact CD1-O 3.32Å; Y555-L618 WeakPolarHBondContact CE1-O 3.34Å; Y555-L618 HydrophobicContact CG-CD1 3.98Å; Y555-E621 PolarHBondContact OH-OE1 3.33Å
556	R	98.1	Very high	98.5	Very high	17 Å²	17	28.3 Å²	28.3	6%	0.064	13%	0.129	C	C	.	.	H	α-helix	trans	-55.9	-44.2	-178.9	-79.4	-57.3	-152.9	-163.3	17.1	112.1	F552 Y553 K559 S620 D622 L625 L628	F552-R556 HydrophobicContact CD2-CG 3.78Å; F552-R556 HydrophobicContact CE2-CG 3.38Å; F552-R556 HydrophobicContact CZ-CG 3.85Å; F552-R556 WeakPolarHBondContact O-CB 3.35Å; F552-R556 WeakPolarHBondContact O-CG 3.24Å; F552-R556 PolarHBondContact O-N 3.36Å; Y553-R556 PolarHBondContact O-N 2.7Å; R556-K559 WeakPolarHBondContact O-CE 3.27Å; R556-K559 PolarHBondContact O-NZ 3.39Å; R556-S620 PolarHBondContact NH1-O 3.48Å; R556-D622 PolarHBondContact NH1-O 2.95Å; R556-D622 PolarHBondContact NH2-O 3.34Å; R556-L625 PolarHBondContact NH2-O 2.84Å; R556-L628 HydrophobicContact CB-CD1 3.97Å; R556-L628 HydrophobicContact CG-CD1 3.98Å
557	F	97.8	Very high	98.5	Very high	42 Å²	42	27.5 Å²	27.5	18%	0.184	13%	0.126	C	C	.	.	H	α-helix	trans	-89.8	-27.6	-174.7	-54.1	-47.5	0	0	0	114.9	A482 L483 H486 M494 Y553 Y555 L628	A482-F557 HydrophobicContact CB-CD2 3.99Å; A482-F557 HydrophobicContact CB-CE2 4.46Å; L483-F557 VanDerWaalsContact CA-CE2 3.48Å; L483-F557 HydrophobicContact CB-CE2 4.11Å; L483-F557 HydrophobicContact CB-CZ 4.43Å; L483-F557 HydrophobicContact CD1-CE2 4.34Å; L483-F557 HydrophobicContact CD1-CZ 3.82Å; H486-F557 HydrophobicContact CB-CD1 3.57Å; H486-F557 HydrophobicContact CB-CD2 4.13Å; H486-F557 HydrophobicContact CB-CE1 3.58Å; H486-F557 HydrophobicContact CB-CE2 4.13Å; H486-F557 HydrophobicContact CB-CG 3.86Å; H486-F557 HydrophobicContact CB-CZ 3.86Å; H486-F557 AromaticContact CD2-CD1 3.97Å; H486-F557 AromaticContact CD2-CE1 3.41Å; H486-F557 VanDerWaalsContact CD2-CE1 3.41Å; H486-F557 WeakPolarHBondContact CD2-CE1 3.06Å; H486-F557 AromaticContact CE1-CD1 3.97Å; H486-F557 AromaticContact CE1-CE1 3.99Å; H486-F557 AromaticContact CG-CD1 3.33Å; H486-F557 AromaticContact CG-CE1 3.23Å; H486-F557 AromaticContact CG-CZ 3.94Å; H486-F557 AromaticContact ND1-CD1 3.34Å; H486-F557 VanDerWaalsContact ND1-CD1 3.34Å; H486-F557 WeakPolarHBondContact ND1-CD1 3.46Å; H486-F557 AromaticContact ND1-CE1 3.64Å; H486-F557 AromaticContact NE2-CE1 3.89Å; M494-F557 HydrophobicContact CE-CB 4.02Å; Y553-F557 AromaticContact CD1-CE2 3.61Å; Y553-F557 HydrophobicContact CD1-CE2 3.61Å; Y553-F557 AromaticContact CD1-CZ 3.88Å; Y553-F557 HydrophobicContact CD1-CZ 3.88Å; Y553-F557 HydrophobicContact CE1-CZ 4.49Å; Y553-F557 HydrophobicContact CG-CE2 4.25Å; Y553-F557 WeakPolarHBondContact O-CD2 3.14Å; Y553-F557 WeakPolarHBondContact O-CG 3.48Å; Y553-F557 PolarHBondContact O-N 3.1Å; Y553-F557 VanDerWaalsContact O-N 3.09Å; Y555-F557 VanDerWaalsContact C-N 3.3Å; Y555-F557 PolarHBondContact O-N 2.62Å; F557-L628 HydrophobicContact CE1-CB 4.4Å; F557-L628 HydrophobicContact CE1-CD1 3.71Å; F557-L628 HydrophobicContact CE2-CD1 4.41Å; F557-L628 HydrophobicContact CZ-CD1 3.53Å
558	T	97.9	Very high	98.5	Very high	48 Å²	48	29.6 Å²	29.6	29%	0.294	13%	0.133	S	C	.	.	H	α-helix	trans	-101.6	-21.5	-179.4	69.3	0	0	0	0	114.2	M494 L554 D560 Y563	M494-T558 HydrophobicContact CE-CG2 4.5Å; M494-T558 HydrophobicContact SD-CG2 3.92Å; L554-T558 HydrophobicContact CD1-CG2 4.27Å; L554-T558 VanDerWaalsContact O-CB 3.31Å; L554-T558 WeakPolarHBondContact O-CB 3.43Å; L554-T558 WeakPolarHBondContact O-CG2 3.48Å; L554-T558 PolarHBondContact O-N 3.25Å; L554-T558 PolarHBondContact O-OG1 2.9Å; T558-D560 PolarHBondContact O-N 2.62Å; T558-D560 VanDerWaalsContact O-N 3.12Å; T558-D560 WeakPolarHBondContact OG1-CB 3.27Å; T558-D560 PolarHBondContact OG1-N 2.74Å; T558-Y563 WeakPolarHBondContact OG1-CE2 3.37Å
559	K	97.1	Very high	98.5	Very high	99 Å²	99	34.5 Å²	34.5	43%	0.43	16%	0.155	S	C	.	.			trans	55.4	16.1	-168.9	-53.9	-60.9	-178	-179.8	0	114.8	Y555 R556 R561	Y555-K559 VanDerWaalsContact O-CA 3.25Å; Y555-K559 WeakPolarHBondContact O-CA 3.31Å; Y555-K559 PolarHBondContact O-N 2.84Å; R556-K559 WeakPolarHBondContact O-CE 3.27Å; R556-K559 PolarHBondContact O-NZ 3.39Å; K559-R561 PolarHBondContact O-N 2.92Å
560	D	98	Very high	98.5	Very high	59 Å²	59	34.4 Å²	34.4	32%	0.316	15%	0.154	S	C	.	.			trans	-74.7	111	176.2	-173.4	-19.5	0	0	0	110.5	T558 K562 Y563	T558-D560 PolarHBondContact O-N 2.62Å; T558-D560 VanDerWaalsContact O-N 3.12Å; T558-D560 WeakPolarHBondContact OG1-CB 3.27Å; T558-D560 PolarHBondContact OG1-N 2.74Å; D560-K562 PolarHBondContact O-N 2.92Å; D560-K562 VanDerWaalsContact O-N 3.15Å; D560-K562 WeakPolarHBondContact OD1-CB 3.4Å; D560-K562 VanDerWaalsContact OD1-CG 3.29Å; D560-K562 WeakPolarHBondContact OD1-CG 3.48Å; D560-K562 PolarHBondContact OD1-N 2.92Å; D560-K562 VanDerWaalsContact OD2-CD 3.29Å; D560-K562 WeakPolarHBondContact OD2-CD 3.47Å; D560-K562 VanDerWaalsContact OD2-CE 3.24Å; D560-K562 WeakPolarHBondContact OD2-CE 3.37Å; D560-K562 IonicContact OD2-NZ 2.92Å; D560-K562 PolarHBondContact OD2-NZ 3.42Å; D560-Y563 HydrophobicContact CB-CD2 3.93Å; D560-Y563 HydrophobicContact CB-CE2 3.83Å; D560-Y563 VanDerWaalsContact O-CD2 3.27Å; D560-Y563 WeakPolarHBondContact O-CD2 3.38Å; D560-Y563 PolarHBondContact O-N 3.42Å
561	R	97.1	Very high	98.5	Very high	110 Å²	110	34.5 Å²	34.5	42%	0.415	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.6	-174.7	-65.9	-171.9	175.3	-161.4	-5	114.2	S190 Y555 K559 Y563 Q564 D565 E621	S190-R561 PolarHBondContact OG-NH1 2.99Å; S190-R561 PolarHBondContact OG-NH2 2.88Å; Y555-R561 HydrophobicContact CE2-CG 4.46Å; K559-R561 PolarHBondContact O-N 2.92Å; R561-Y563 PolarHBondContact O-N 2.94Å; R561-Y563 VanDerWaalsContact O-N 3.12Å; R561-Q564 WeakPolarHBondContact O-CA 3.49Å; R561-Q564 WeakPolarHBondContact O-CB 3.45Å; R561-Q564 PolarHBondContact O-N 3.11Å; R561-D565 PolarHBondContact O-N 3.31Å; R561-E621 IonicContact CZ-OE1 2.92Å; R561-E621 IonicContact NE-OE1 2.73Å; R561-E621 IonicContact NH2-OE1 3.74Å; R561-E621 PolarHBondContact NH2-OE1 3.08Å; R561-E621 IonicContact NH2-OE2 3.45Å; R561-E621 PolarHBondContact NH2-OE2 3.29Å
562	K	98.3	Very high	98.5	Very high	70 Å²	70	38 Å²	38	30%	0.304	17%	0.171	S	C	.	.	H	α-helix	trans	-56	-32.2	174.6	82.5	-168.6	177.7	-138.3	0	111.5	D560 D565 W566	D560-K562 PolarHBondContact O-N 2.92Å; D560-K562 VanDerWaalsContact O-N 3.15Å; D560-K562 WeakPolarHBondContact OD1-CB 3.4Å; D560-K562 VanDerWaalsContact OD1-CG 3.29Å; D560-K562 WeakPolarHBondContact OD1-CG 3.48Å; D560-K562 PolarHBondContact OD1-N 2.92Å; D560-K562 VanDerWaalsContact OD2-CD 3.29Å; D560-K562 WeakPolarHBondContact OD2-CD 3.47Å; D560-K562 VanDerWaalsContact OD2-CE 3.24Å; D560-K562 WeakPolarHBondContact OD2-CE 3.37Å; D560-K562 IonicContact OD2-NZ 2.92Å; D560-K562 PolarHBondContact OD2-NZ 3.42Å; K562-D565 PolarHBondContact O-N 2.92Å; K562-W566 HydrophobicContact CD-CH2 4.32Å; K562-W566 HydrophobicContact CD-CZ2 4.05Å; K562-W566 HydrophobicContact CG-CZ2 4.18Å; K562-W566 WeakPolarHBondContact O-CB 3.41Å; K562-W566 PolarHBondContact O-N 2.91Å
563	Y	98.8	Very high	98.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-68.5	-35.6	178.6	-61.1	-56.6	0	0	0	111.9	M501 L551 L554 T558 D560 R561 W566 G567	M501-Y563 HydrophobicContact CB-CE1 4.36Å; M501-Y563 HydrophobicContact CG-CD1 3.92Å; M501-Y563 HydrophobicContact CG-CE1 3.54Å; L551-Y563 HydrophobicContact CD2-CD1 3.71Å; L551-Y563 HydrophobicContact CD2-CG 4.3Å; L554-Y563 HydrophobicContact CB-CD1 4.2Å; L554-Y563 HydrophobicContact CB-CD2 3.85Å; L554-Y563 HydrophobicContact CB-CE1 4.11Å; L554-Y563 HydrophobicContact CB-CE2 3.77Å; L554-Y563 HydrophobicContact CB-CG 4.08Å; L554-Y563 HydrophobicContact CD1-CE2 4.33Å; L554-Y563 HydrophobicContact CG-CE1 4.31Å; L554-Y563 HydrophobicContact CG-CE2 4.37Å; T558-Y563 WeakPolarHBondContact OG1-CE2 3.37Å; D560-Y563 HydrophobicContact CB-CD2 3.93Å; D560-Y563 HydrophobicContact CB-CE2 3.83Å; D560-Y563 VanDerWaalsContact O-CD2 3.27Å; D560-Y563 WeakPolarHBondContact O-CD2 3.38Å; D560-Y563 PolarHBondContact O-N 3.42Å; R561-Y563 PolarHBondContact O-N 2.94Å; R561-Y563 VanDerWaalsContact O-N 3.12Å; Y563-W566 AromaticContact CD1-CE3 3.88Å; Y563-W566 HydrophobicContact CD1-CE3 3.88Å; Y563-W566 AromaticContact CD1-CZ3 3.96Å; Y563-W566 HydrophobicContact CD1-CZ3 3.96Å; Y563-W566 HydrophobicContact CE1-CE3 4.2Å; Y563-W566 HydrophobicContact CE1-CH2 4.38Å; Y563-W566 AromaticContact CE1-CZ3 3.78Å; Y563-W566 HydrophobicContact CE1-CZ3 3.78Å; Y563-G567 PolarHBondContact O-N 3.33Å
564	Q	98.7	Very high	98.5	Very high	13 Å²	13	39.7 Å²	39.7	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-41.3	170.3	-58.1	-176.7	-58.6	0	0	111.1	Y555 R561 W566 G567 W568 L618 F619	Y555-Q564 HydrophobicContact CD1-CG 4.2Å; Y555-Q564 HydrophobicContact CD2-CG 3.59Å; Y555-Q564 HydrophobicContact CE1-CG 4.3Å; Y555-Q564 HydrophobicContact CE2-CG 3.71Å; Y555-Q564 HydrophobicContact CG-CG 3.85Å; Y555-Q564 PolarHBondContact OH-NE2 3.13Å; R561-Q564 WeakPolarHBondContact O-CA 3.49Å; R561-Q564 WeakPolarHBondContact O-CB 3.45Å; R561-Q564 PolarHBondContact O-N 3.11Å; Q564-W566 VanDerWaalsContact C-N 3.34Å; Q564-W566 PolarHBondContact O-N 2.9Å; Q564-G567 PolarHBondContact O-N 3.38Å; Q564-W568 WeakPolarHBondContact O-CB 3.37Å; Q564-W568 PolarHBondContact O-N 3.48Å; Q564-L618 HydrophobicContact CG-CD1 3.89Å; Q564-L618 HydrophobicContact CG-CG 4.31Å; Q564-L618 WeakPolarHBondContact CG-O 3.32Å; Q564-L618 PolarHBondContact NE2-O 2.93Å; Q564-F619 HydrophobicContact CB-CD1 4.25Å; Q564-F619 HydrophobicContact CB-CE1 4.46Å; Q564-F619 PolarHBondContact NE2-O 3.46Å; Q564-F619 WeakPolarHBondContact O-CE1 3.24Å
565	D	98.6	Very high	98.4	Very high	66 Å²	66	40.7 Å²	40.7	35%	0.353	19%	0.186	S	C	.	.	H	α-helix	trans	-67.3	-34.7	178.3	-65	-28.9	0	0	0	112.8	R197 R561 K562 K569	R197-D565 IonicContact CZ-OD1 3.74Å; R197-D565 VanDerWaalsContact CZ-OD1 3.26Å; R197-D565 IonicContact NH1-OD1 2.53Å; R197-D565 PolarHBondContact NH1-OD1 3.2Å; R197-D565 IonicContact NH2-OD1 2.86Å; R197-D565 PolarHBondContact NH2-OD1 2.84Å; R561-D565 PolarHBondContact O-N 3.31Å; K562-D565 PolarHBondContact O-N 2.92Å; D565-K569 WeakPolarHBondContact O-CG 3.05Å; D565-K569 PolarHBondContact O-N 3.24Å
566	W	98.9	Very high	98.4	Very high	39 Å²	39	47.3 Å²	47.3	15%	0.148	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-48.4	171.8	-67.7	2.4	0	0	0	110.6	M501 H502 Y505 L551 K562 Y563 Q564 W568 K569 I570	M501-W566 HydrophobicContact CG-CZ3 4.24Å; H502-W566 HydrophobicContact CB-CH2 4.21Å; H502-W566 AromaticContact CD2-CH2 3.86Å; Y505-W566 AromaticContact CD1-CD2 3.58Å; Y505-W566 HydrophobicContact CD1-CD2 3.58Å; Y505-W566 AromaticContact CD1-CE2 3.63Å; Y505-W566 AromaticContact CD1-CE3 3.94Å; Y505-W566 HydrophobicContact CD1-CE3 3.94Å; Y505-W566 AromaticContact CD1-CG 3.95Å; Y505-W566 HydrophobicContact CD1-CG 3.95Å; Y505-W566 HydrophobicContact CD1-CH2 4.39Å; Y505-W566 HydrophobicContact CD1-CZ2 4.06Å; Y505-W566 HydrophobicContact CD1-CZ3 4.32Å; Y505-W566 AromaticContact CD1-NE1 3.95Å; Y505-W566 HydrophobicContact CD2-CB 3.54Å; Y505-W566 AromaticContact CD2-CD2 3.85Å; Y505-W566 HydrophobicContact CD2-CD2 3.85Å; Y505-W566 HydrophobicContact CD2-CE3 4.15Å; Y505-W566 AromaticContact CD2-CG 3.57Å; Y505-W566 HydrophobicContact CD2-CG 3.57Å; Y505-W566 AromaticContact CE1-CD1 3.62Å; Y505-W566 AromaticContact CE1-CD2 3.89Å; Y505-W566 HydrophobicContact CE1-CD2 3.89Å; Y505-W566 AromaticContact CE1-CE2 3.73Å; Y505-W566 AromaticContact CE1-CG 3.86Å; Y505-W566 HydrophobicContact CE1-CG 3.86Å; Y505-W566 HydrophobicContact CE1-CZ2 4.4Å; Y505-W566 AromaticContact CE1-NE1 3.54Å; Y505-W566 HydrophobicContact CE2-CB 3.47Å; Y505-W566 VanDerWaalsContact CE2-CB 3.47Å; Y505-W566 AromaticContact CE2-CD1 3.71Å; Y505-W566 HydrophobicContact CE2-CD2 4.14Å; Y505-W566 AromaticContact CE2-CG 3.46Å; Y505-W566 HydrophobicContact CE2-CG 3.46Å; Y505-W566 VanDerWaalsContact CE2-CG 3.46Å; Y505-W566 HydrophobicContact CG-CB 4.21Å; Y505-W566 AromaticContact CG-CD2 3.54Å; Y505-W566 HydrophobicContact CG-CD2 3.54Å; Y505-W566 AromaticContact CG-CE3 3.62Å; Y505-W566 HydrophobicContact CG-CE3 3.62Å; Y505-W566 AromaticContact CG-CG 3.8Å; Y505-W566 HydrophobicContact CG-CG 3.8Å; Y505-W566 HydrophobicContact CG-CZ3 4.24Å; Y505-W566 AromaticContact CZ-CD1 3.37Å; Y505-W566 AromaticContact CZ-CG 3.6Å; Y505-W566 AromaticContact CZ-NE1 3.8Å; L551-W566 HydrophobicContact CD1-CB 4.27Å; L551-W566 HydrophobicContact CD2-CB 3.98Å; L551-W566 HydrophobicContact CD2-CE3 3.84Å; K562-W566 HydrophobicContact CD-CH2 4.32Å; K562-W566 HydrophobicContact CD-CZ2 4.05Å; K562-W566 HydrophobicContact CG-CZ2 4.18Å; K562-W566 WeakPolarHBondContact O-CB 3.41Å; K562-W566 PolarHBondContact O-N 2.91Å; Y563-W566 AromaticContact CD1-CE3 3.88Å; Y563-W566 HydrophobicContact CD1-CE3 3.88Å; Y563-W566 AromaticContact CD1-CZ3 3.96Å; Y563-W566 HydrophobicContact CD1-CZ3 3.96Å; Y563-W566 HydrophobicContact CE1-CE3 4.2Å; Y563-W566 HydrophobicContact CE1-CH2 4.38Å; Y563-W566 AromaticContact CE1-CZ3 3.78Å; Y563-W566 HydrophobicContact CE1-CZ3 3.78Å; Q564-W566 VanDerWaalsContact C-N 3.34Å; Q564-W566 PolarHBondContact O-N 2.9Å; W566-W568 VanDerWaalsContact C-N 3.33Å; W566-W568 PolarHBondContact O-N 2.95Å; W566-K569 PolarHBondContact O-N 2.79Å; W566-I570 WeakPolarHBondContact O-CG1 3.38Å; W566-I570 PolarHBondContact O-N 3.17Å; W566-I570 VanDerWaalsContact O-N 3.17Å
567	G	98.9	Very high	98.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-41.1	175.7	0	0	0	0	0	112.9	Y563 Q564 K569 I570 L571 F615	Y563-G567 PolarHBondContact O-N 3.33Å; Q564-G567 PolarHBondContact O-N 3.38Å; G567-K569 PolarHBondContact O-N 3.21Å; G567-I570 PolarHBondContact O-N 3.41Å; G567-I570 VanDerWaalsContact O-N 3.16Å; G567-L571 PolarHBondContact O-N 3.16Å; G567-F615 WeakPolarHBondContact O-CE1 3.39Å
568	W	98.8	Very high	98.5	Very high	43 Å²	43	46.3 Å²	46.3	16%	0.163	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-44	177.7	-177.2	-116.5	0	0	0	112.4	R197 A200 Q564 W566 I570 L571 Q572 F619	R197-W568 HydrophobicContact CB-CE3 4.07Å; R197-W568 HydrophobicContact CB-CZ3 4.03Å; R197-W568 HydrophobicContact CG-CD2 3.91Å; R197-W568 HydrophobicContact CG-CE3 3.59Å; R197-W568 HydrophobicContact CG-CH2 4.27Å; R197-W568 HydrophobicContact CG-CZ3 3.79Å; A200-W568 HydrophobicContact CB-CH2 3.67Å; A200-W568 HydrophobicContact CB-CZ3 3.73Å; Q564-W568 WeakPolarHBondContact O-CB 3.37Å; Q564-W568 PolarHBondContact O-N 3.48Å; W566-W568 VanDerWaalsContact C-N 3.33Å; W566-W568 PolarHBondContact O-N 2.95Å; W568-I570 VanDerWaalsContact C-N 3.35Å; W568-I570 PolarHBondContact O-N 3.01Å; W568-L571 HydrophobicContact CE3-CD2 4.12Å; W568-L571 HydrophobicContact CZ3-CD2 3.93Å; W568-L571 PolarHBondContact O-N 3.36Å; W568-Q572 HydrophobicContact CD2-CG 4.47Å; W568-Q572 HydrophobicContact CZ2-CG 4.38Å; W568-Q572 WeakPolarHBondContact O-CG 3.36Å; W568-Q572 PolarHBondContact O-N 2.91Å; W568-F619 HydrophobicContact CB-CE1 4.21Å; W568-F619 HydrophobicContact CB-CZ 4.21Å; W568-F619 HydrophobicContact CE3-CE2 4.11Å; W568-F619 AromaticContact CE3-CZ 3.98Å; W568-F619 HydrophobicContact CE3-CZ 3.98Å
569	K	98.8	Very high	98.6	Very high	106 Å²	106	47.7 Å²	47.7	46%	0.461	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-41.2	175	-72.5	175.8	176.7	-170.9	0	112.3	Y505 D565 W566 G567 Q572 N573	Y505-K569 WeakPolarHBondContact OH-CD 3.1Å; D565-K569 WeakPolarHBondContact O-CG 3.05Å; D565-K569 PolarHBondContact O-N 3.24Å; W566-K569 PolarHBondContact O-N 2.79Å; G567-K569 PolarHBondContact O-N 3.21Å; K569-Q572 PolarHBondContact O-N 3.31Å; K569-N573 PolarHBondContact O-N 3.3Å; K569-N573 PolarHBondContact O-ND2 3.11Å
570	I	98.9	Very high	98.6	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-45.6	177.6	-61.2	170.4	0	0	0	110.8	Y508 L515 T547 L551 W566 G567 W568 Q572 N573 F574 F615	Y508-I570 HydrophobicContact CD1-CB 4.26Å; Y508-I570 HydrophobicContact CD1-CD1 3.8Å; Y508-I570 HydrophobicContact CD1-CG1 3.6Å; Y508-I570 HydrophobicContact CD1-CG2 3.7Å; Y508-I570 HydrophobicContact CD2-CD1 4.4Å; Y508-I570 HydrophobicContact CE1-CB 4.35Å; Y508-I570 HydrophobicContact CE1-CD1 4Å; Y508-I570 HydrophobicContact CE1-CG1 4.04Å; Y508-I570 HydrophobicContact CE1-CG2 3.37Å; Y508-I570 HydrophobicContact CG-CD1 4.04Å; Y508-I570 HydrophobicContact CG-CG1 4.13Å; L515-I570 HydrophobicContact CD2-CG2 4.19Å; T547-I570 HydrophobicContact CG2-CD1 3.92Å; L551-I570 HydrophobicContact CD1-CD1 4.03Å; W566-I570 WeakPolarHBondContact O-CG1 3.38Å; W566-I570 PolarHBondContact O-N 3.17Å; W566-I570 VanDerWaalsContact O-N 3.17Å; G567-I570 PolarHBondContact O-N 3.41Å; G567-I570 VanDerWaalsContact O-N 3.16Å; W568-I570 VanDerWaalsContact C-N 3.35Å; W568-I570 PolarHBondContact O-N 3.01Å; I570-Q572 VanDerWaalsContact C-N 3.32Å; I570-Q572 PolarHBondContact O-N 3.32Å; I570-N573 PolarHBondContact O-N 3.05Å; I570-N573 VanDerWaalsContact O-N 3.1Å; I570-F574 HydrophobicContact CG2-CD2 3.94Å; I570-F574 HydrophobicContact CG2-CE2 3.64Å; I570-F574 HydrophobicContact CG2-CZ 4.38Å; I570-F574 PolarHBondContact O-N 3.27Å; I570-F615 HydrophobicContact CB-CE1 4.36Å; I570-F615 HydrophobicContact CB-CZ 4.08Å; I570-F615 HydrophobicContact CG2-CZ 3.82Å
571	L	98.9	Very high	98.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-38.9	176.2	179	61.5	0	0	0	112.2	V201 A204 G567 W568 N573 F574 N575 L612 F615 F619	V201-L571 HydrophobicContact CG2-CD2 3.58Å; A204-L571 HydrophobicContact CB-CD1 4.49Å; G567-L571 PolarHBondContact O-N 3.16Å; W568-L571 HydrophobicContact CE3-CD2 4.12Å; W568-L571 HydrophobicContact CZ3-CD2 3.93Å; W568-L571 PolarHBondContact O-N 3.36Å; L571-N573 VanDerWaalsContact C-N 3.34Å; L571-F574 PolarHBondContact O-N 3.02Å; L571-N575 WeakPolarHBondContact O-CB 3.43Å; L571-N575 PolarHBondContact O-N 3.1Å; L571-N575 PolarHBondContact O-ND2 3.49Å; L571-L612 HydrophobicContact CD1-CD2 4.27Å; L571-F615 HydrophobicContact CB-CD1 4.21Å; L571-F615 HydrophobicContact CB-CD2 4.48Å; L571-F615 HydrophobicContact CB-CE1 4.04Å; L571-F615 HydrophobicContact CB-CE2 4.29Å; L571-F615 HydrophobicContact CB-CG 4.48Å; L571-F615 HydrophobicContact CB-CZ 4.09Å; L571-F615 HydrophobicContact CD1-CD2 4.1Å; L571-F615 HydrophobicContact CD1-CE2 4.27Å; L571-F619 HydrophobicContact CD2-CE2 3.86Å; L571-F619 HydrophobicContact CD2-CZ 4.46Å
572	Q	98.8	Very high	98.6	Very high	73 Å²	73	42.7 Å²	42.7	34%	0.341	21%	0.21	S	C	.	.	H	α-helix	trans	-61.9	-40.5	172.8	-74.3	-178.5	-39.7	0	0	111.8	W568 K569 I570 N575 K576	W568-Q572 HydrophobicContact CD2-CG 4.47Å; W568-Q572 HydrophobicContact CZ2-CG 4.38Å; W568-Q572 WeakPolarHBondContact O-CG 3.36Å; W568-Q572 PolarHBondContact O-N 2.91Å; K569-Q572 PolarHBondContact O-N 3.31Å; I570-Q572 VanDerWaalsContact C-N 3.32Å; I570-Q572 PolarHBondContact O-N 3.32Å; Q572-N575 PolarHBondContact O-N 3.04Å; Q572-K576 WeakPolarHBondContact O-CB 3.33Å; Q572-K576 PolarHBondContact O-N 3.15Å
573	N	98.9	Very high	98.6	Very high	37 Å²	37	39.3 Å²	39.3	20%	0.198	20%	0.195	C	C	.	.	H	α-helix	trans	-69.4	-39	177.5	-70.4	-27.7	0	0	0	112.9	T513 G514 L515 K569 I570 L571 K576 Y577	T513-N573 WeakPolarHBondContact O-CB 3.19Å; G514-N573 WeakPolarHBondContact CA-ND2 3.15Å; G514-N573 PolarHBondContact O-ND2 2.88Å; L515-N573 HydrophobicContact CD2-CB 3.75Å; L515-N573 HydrophobicContact CG-CB 3.98Å; K569-N573 PolarHBondContact O-N 3.3Å; K569-N573 PolarHBondContact O-ND2 3.11Å; I570-N573 PolarHBondContact O-N 3.05Å; I570-N573 VanDerWaalsContact O-N 3.1Å; L571-N573 VanDerWaalsContact C-N 3.34Å; N573-K576 PolarHBondContact O-N 3.45Å; N573-Y577 HydrophobicContact CB-CD2 4.21Å; N573-Y577 HydrophobicContact CB-CE2 4.43Å; N573-Y577 VanDerWaalsContact O-CD2 3.29Å; N573-Y577 WeakPolarHBondContact O-CD2 3.16Å; N573-Y577 PolarHBondContact O-N 3.01Å
574	F	98.9	Very high	98.6	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-49.1	169	-75.9	-50.3	0	0	0	111.1	L515 L543 I570 L571 K576 Y577 T578 K579 T611 F615	L515-F574 HydrophobicContact CD1-CD1 3.92Å; L515-F574 HydrophobicContact CD1-CE1 4.2Å; L515-F574 HydrophobicContact CD2-CD1 3.72Å; L515-F574 HydrophobicContact CD2-CD2 4.4Å; L515-F574 HydrophobicContact CD2-CE1 3.77Å; L515-F574 HydrophobicContact CD2-CE2 4.46Å; L515-F574 HydrophobicContact CD2-CG 4.05Å; L515-F574 HydrophobicContact CD2-CZ 4.16Å; L515-F574 HydrophobicContact CG-CD1 4.5Å; L543-F574 HydrophobicContact CB-CE1 4.43Å; L543-F574 HydrophobicContact CD2-CD1 3.85Å; L543-F574 HydrophobicContact CD2-CE1 3.81Å; I570-F574 HydrophobicContact CG2-CD2 3.94Å; I570-F574 HydrophobicContact CG2-CE2 3.64Å; I570-F574 HydrophobicContact CG2-CZ 4.38Å; I570-F574 PolarHBondContact O-N 3.27Å; L571-F574 PolarHBondContact O-N 3.02Å; F574-K576 PolarHBondContact O-N 2.78Å; F574-Y577 PolarHBondContact O-N 3.4Å; F574-T578 HydrophobicContact CD1-CG2 4.15Å; F574-T578 PolarHBondContact O-N 3.38Å; F574-T578 PolarHBondContact O-OG1 3.38Å; F574-K579 PolarHBondContact O-N 3.3Å; F574-T611 HydrophobicContact CE2-CG2 3.93Å; F574-T611 HydrophobicContact CZ-CG2 4.47Å; F574-F615 AromaticContact CD2-CE2 3.93Å; F574-F615 HydrophobicContact CD2-CE2 3.93Å; F574-F615 HydrophobicContact CD2-CZ 4.2Å; F574-F615 AromaticContact CE2-CE2 3.94Å; F574-F615 HydrophobicContact CE2-CE2 3.94Å; F574-F615 HydrophobicContact CE2-CZ 4.13Å
575	N	98.6	Very high	98.6	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-31.9	176.1	-81	-50	0	0	0	113.8	W158 L571 Q572 K579 Y585	W158-N575 HydrophobicContact CH2-CB 4.06Å; L571-N575 WeakPolarHBondContact O-CB 3.43Å; L571-N575 PolarHBondContact O-N 3.1Å; L571-N575 PolarHBondContact O-ND2 3.49Å; Q572-N575 PolarHBondContact O-N 3.04Å; N575-K579 VanDerWaalsContact O-CB 3.32Å; N575-K579 WeakPolarHBondContact O-CB 3.36Å; N575-Y585 PolarHBondContact OD1-OH 3.29Å
576	K	98.6	Very high	98.7	Very high	143 Å²	143	35.6 Å²	35.6	62%	0.622	18%	0.176	S	C	*	.	H	α-helix	trans	-81	-43.8	180	-174.5	178.3	175.7	-164.5	0	113.5	Q572 N573 F574	Q572-K576 WeakPolarHBondContact O-CB 3.33Å; Q572-K576 PolarHBondContact O-N 3.15Å; N573-K576 PolarHBondContact O-N 3.45Å; F574-K576 PolarHBondContact O-N 2.78Å
577	Y	98.8	Very high	98.7	Very high	35 Å²	35	33.8 Å²	33.8	14%	0.137	17%	0.169	C	C	.	.	H	α-helix	trans	-110	-16.8	-166.7	-60.3	-67.3	0	0	0	115	T513 N573 F574 P594 P597	T513-Y577 HydrophobicContact CG2-CD1 4.11Å; T513-Y577 HydrophobicContact CG2-CD2 4.2Å; T513-Y577 HydrophobicContact CG2-CE1 4.29Å; T513-Y577 HydrophobicContact CG2-CE2 4.38Å; T513-Y577 HydrophobicContact CG2-CG 4.05Å; T513-Y577 VanDerWaalsContact O-CD2 3.25Å; T513-Y577 WeakPolarHBondContact O-CD2 3.46Å; T513-Y577 WeakPolarHBondContact O-CE2 3.46Å; N573-Y577 HydrophobicContact CB-CD2 4.21Å; N573-Y577 HydrophobicContact CB-CE2 4.43Å; N573-Y577 VanDerWaalsContact O-CD2 3.29Å; N573-Y577 WeakPolarHBondContact O-CD2 3.16Å; N573-Y577 PolarHBondContact O-N 3.01Å; F574-Y577 PolarHBondContact O-N 3.4Å; Y577-P594 HydrophobicContact CE1-CB 3.67Å; Y577-P597 HydrophobicContact CD1-CG 4.08Å
578	T	98.8	Very high	98.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-12.1	-175.4	70.6	0	0	0	0	114.5	L515 L543 F574 Y585 T586 I588	L515-T578 HydrophobicContact CD1-CG2 3.92Å; L543-T578 HydrophobicContact CD2-CG2 3.7Å; F574-T578 HydrophobicContact CD1-CG2 4.15Å; F574-T578 PolarHBondContact O-N 3.38Å; F574-T578 PolarHBondContact O-OG1 3.38Å; T578-Y585 CarbonylContact O-C 3.56Å; T578-Y585 VanDerWaalsContact O-CA 3.25Å; T578-Y585 WeakPolarHBondContact O-CA 3.43Å; T578-T586 VanDerWaalsContact CB-O 3.27Å; T578-T586 WeakPolarHBondContact CB-O 3.42Å; T578-T586 PolarHBondContact O-N 3.16Å; T578-I588 HydrophobicContact CG2-CD1 4.2Å; T578-I588 HydrophobicContact CG2-CG1 4.28Å; T578-I588 HydrophobicContact CG2-CG2 4Å
579	K	98.7	Very high	98.6	Very high	77 Å²	77	34.5 Å²	34.5	34%	0.335	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-69.5	128.2	178.4	-167.5	169.9	-170.5	158	0	112.4	H207 F574 N575 Y585	H207-K579 WeakPolarHBondContact CD2-CE 3.37Å; H207-K579 VanDerWaalsContact CE1-CE 3.45Å; H207-K579 WeakPolarHBondContact CE1-CE 3.44Å; H207-K579 VanDerWaalsContact ND1-CE 3.27Å; H207-K579 WeakPolarHBondContact ND1-CE 3.23Å; F574-K579 PolarHBondContact O-N 3.3Å; N575-K579 VanDerWaalsContact O-CB 3.32Å; N575-K579 WeakPolarHBondContact O-CB 3.36Å; K579-Y585 HydrophobicContact CB-CD1 3.95Å; K579-Y585 HydrophobicContact CB-CE1 3.67Å; K579-Y585 HydrophobicContact CD-CE1 4.18Å; K579-Y585 WeakPolarHBondContact CE-OH 3.45Å; K579-Y585 HydrophobicContact CG-CD1 4.39Å; K579-Y585 HydrophobicContact CG-CE1 3.88Å; K579-Y585 HydrophobicContact CG-CE2 4.33Å; K579-Y585 PolarHBondContact NZ-OH 2.89Å
580	V	98.7	Very high	98.6	Very high	20 Å²	20	30.9 Å²	30.9	12%	0.121	16%	0.162	C	C	.	.			trans	-101.3	131.4	177.5	-175.3	0	0	0	0	110.4	H207 P224 V225 S582 G583 G584 T586	H207-V580 PolarHBondContact CE1-O 3.09Å; H207-V580 PolarHBondContact NE2-O 2.67Å; P224-V580 HydrophobicContact CB-CB 4.13Å; P224-V580 HydrophobicContact CB-CG1 4.41Å; P224-V580 HydrophobicContact CB-CG2 3.97Å; P224-V580 HydrophobicContact CG-CG2 3.95Å; V225-V580 HydrophobicContact CG2-CG2 4.07Å; V580-S582 VanDerWaalsContact C-N 3.32Å; V580-S582 PolarHBondContact O-N 3.04Å; V580-G583 PolarHBondContact O-N 2.84Å; V580-G584 PolarHBondContact N-O 2.78Å; V580-T586 HydrophobicContact CG2-CG2 3.69Å
581	S	97.9	Very high	98.6	Very high	122 Å²	122	30.7 Å²	30.7	85%	0.853	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.7	-168.7	57.4	0	0	0	0	115.5	G583	S581-G583 VanDerWaalsContact C-N 3.28Å; S581-G583 PolarHBondContact O-N 2.83Å
582	S	97.3	Very high	98.6	Very high	21 Å²	21	31.9 Å²	31.9	15%	0.147	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.4	174.3	37.9	0	0	0	0	114	V580	V580-S582 VanDerWaalsContact C-N 3.32Å; V580-S582 PolarHBondContact O-N 3.04Å
583	G	98.4	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	124.8	150.5	-167.3	0	0	0	0	0	110.3	H207 V580 S581	H207-G583 WeakPolarHBondContact NE2-CA 3.16Å; H207-G583 WeakPolarHBondContact O-CA 3.48Å; V580-G583 PolarHBondContact O-N 2.84Å; S581-G583 VanDerWaalsContact C-N 3.28Å; S581-G583 PolarHBondContact O-N 2.83Å
584	G	98.6	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.			trans	86.4	167	-175.3	0	0	0	0	0	115.1	H207 V580	H207-G584 PolarHBondContact NE2-O 2.83Å; H207-G584 PolarHBondContact O-N 3.08Å; V580-G584 PolarHBondContact N-O 2.78Å
585	Y	98.9	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-125.2	149.6	171	-68.8	-110.6	0	0	0	108.1	A204 H207 A208 N575 T578 K579 M603 F607	A204-Y585 WeakPolarHBondContact CA-OH 3.28Å; A204-Y585 WeakPolarHBondContact CB-OH 3.49Å; A204-Y585 WeakPolarHBondContact O-CE2 3.36Å; H207-Y585 HydrophobicContact CB-CE2 4.39Å; H207-Y585 AromaticContact CD2-CE2 3.62Å; A208-Y585 HydrophobicContact CB-CD2 3.79Å; A208-Y585 HydrophobicContact CB-CE2 4.02Å; N575-Y585 PolarHBondContact OD1-OH 3.29Å; T578-Y585 CarbonylContact O-C 3.56Å; T578-Y585 VanDerWaalsContact O-CA 3.25Å; T578-Y585 WeakPolarHBondContact O-CA 3.43Å; K579-Y585 HydrophobicContact CB-CD1 3.95Å; K579-Y585 HydrophobicContact CB-CE1 3.67Å; K579-Y585 HydrophobicContact CD-CE1 4.18Å; K579-Y585 WeakPolarHBondContact CE-OH 3.45Å; K579-Y585 HydrophobicContact CG-CD1 4.39Å; K579-Y585 HydrophobicContact CG-CE1 3.88Å; K579-Y585 HydrophobicContact CG-CE2 4.33Å; K579-Y585 PolarHBondContact NZ-OH 2.89Å; Y585-M603 PolarHBondContact N-SD 3.39Å; Y585-M603 VanDerWaalsContact N-SD 3.37Å; Y585-M603 WeakPolarHBondContact O-CB 3.37Å; Y585-M603 WeakPolarHBondContact O-CG 3.39Å; Y585-F607 HydrophobicContact CD1-CE1 4.08Å; Y585-F607 AromaticContact CD1-CZ 3.86Å; Y585-F607 HydrophobicContact CD1-CZ 3.86Å; Y585-F607 HydrophobicContact CD2-CD1 4.42Å; Y585-F607 AromaticContact CD2-CE1 3.49Å; Y585-F607 HydrophobicContact CD2-CE1 3.49Å; Y585-F607 VanDerWaalsContact CD2-CE1 3.49Å; Y585-F607 HydrophobicContact CD2-CZ 4.09Å; Y585-F607 HydrophobicContact CE1-CZ 4.28Å; Y585-F607 HydrophobicContact CE2-CE1 4.1Å; Y585-F607 HydrophobicContact CG-CD1 4.4Å; Y585-F607 AromaticContact CG-CE1 3.5Å; Y585-F607 HydrophobicContact CG-CE1 3.5Å; Y585-F607 VanDerWaalsContact CG-CE1 3.5Å; Y585-F607 AromaticContact CG-CZ 3.76Å; Y585-F607 HydrophobicContact CG-CZ 3.76Å
586	T	98.8	Very high	98.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	23%	0.233	C	C	.	.			trans	-123.2	136.7	-177.3	179	0	0	0	0	111.9	V225 T578 V580 P599 D601 K602	V225-T586 HydrophobicContact CG2-CG2 4.24Å; T578-T586 VanDerWaalsContact CB-O 3.27Å; T578-T586 WeakPolarHBondContact CB-O 3.42Å; T578-T586 PolarHBondContact O-N 3.16Å; V580-T586 HydrophobicContact CG2-CG2 3.69Å; T586-P599 HydrophobicContact CG2-CB 3.78Å; T586-P599 HydrophobicContact CG2-CG 4.2Å; T586-D601 PolarHBondContact OG1-N 2.98Å; T586-K602 WeakPolarHBondContact CA-O 3.49Å
587	S	98.8	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.			trans	-52.4	149.1	160.8	-45.3	0	0	0	0	110.4	N541 L542 R600 K602	N541-S587 CarbonylContact O-C 3.5Å; N541-S587 VanDerWaalsContact O-CA 3.31Å; N541-S587 WeakPolarHBondContact O-CA 3.45Å; N541-S587 WeakPolarHBondContact O-CB 3.3Å; L542-S587 PolarHBondContact O-OG 2.72Å; S587-R600 WeakPolarHBondContact O-CB 3.24Å; S587-R600 PolarHBondContact O-N 3.45Å; S587-K602 PolarHBondContact N-O 3.09Å; S587-K602 PolarHBondContact OG-O 3.07Å
588	I	98.8	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-124.2	153.1	-175.2	53	167.7	0	0	0	111	L515 H540 N541 T578 V591 P597 R600	L515-I588 HydrophobicContact CD1-CD1 4.1Å; H540-I588 CarbonylContact C-O 3.6Å; H540-I588 WeakPolarHBondContact CA-O 3.42Å; H540-I588 VanDerWaalsContact CB-O 3.23Å; H540-I588 WeakPolarHBondContact CB-O 3.45Å; N541-I588 HydrophobicContact CB-CD1 4.38Å; N541-I588 HydrophobicContact CB-CG1 3.92Å; N541-I588 PolarHBondContact N-O 2.88Å; N541-I588 PolarHBondContact O-N 2.59Å; T578-I588 HydrophobicContact CG2-CD1 4.2Å; T578-I588 HydrophobicContact CG2-CG1 4.28Å; T578-I588 HydrophobicContact CG2-CG2 4Å; I588-V591 HydrophobicContact CD1-CG1 4.03Å; I588-P597 HydrophobicContact CB-CB 4.08Å; I588-P597 WeakPolarHBondContact CB-O 3.16Å; I588-P597 HydrophobicContact CD1-CB 4.03Å; I588-P597 HydrophobicContact CG2-CB 3.85Å; I588-R600 WeakPolarHBondContact O-CD 3.49Å
589	N	98.7	Very high	97.9	Very high	58 Å²	58	41.6 Å²	41.6	31%	0.31	23%	0.232	S	C	.	.	S	Bend	trans	-90.1	-19.4	-177.9	-71.9	-66.2	0	0	0	114.2	R539 H540 P597 S598 R600	R539-N589 CarbonylContact C-O 3.24Å; R539-N589 VanDerWaalsContact C-O 3.3Å; R539-N589 CarbonylContact O-C 3.51Å; H540-N589 PolarHBondContact N-O 3.31Å; N589-P597 PolarHBondContact N-O 3.25Å; N589-P597 VanDerWaalsContact N-O 3.1Å; N589-S598 WeakPolarHBondContact CB-O 3.27Å; N589-S598 PolarHBondContact N-O 3.33Å; N589-S598 PolarHBondContact ND2-O 2.98Å; N589-R600 HydrophobicContact CB-CG 4.48Å; N589-R600 VanDerWaalsContact CG-CG 3.41Å; N589-R600 VanDerWaalsContact ND2-CG 3.32Å; N589-R600 WeakPolarHBondContact ND2-CG 3.46Å; N589-R600 WeakPolarHBondContact OD1-CD 3.4Å; N589-R600 VanDerWaalsContact OD1-CG 3.23Å; N589-R600 WeakPolarHBondContact OD1-CG 3.39Å; N589-R600 PolarHBondContact OD1-NH1 2.79Å
590	N	98.6	Very high	97.8	Very high	31 Å²	31	42.8 Å²	42.8	17%	0.166	23%	0.234	C	C	.	.			trans	-146.3	94.1	-171.3	-168.3	15.7	0	0	0	112.7	R539 C592 D593 P597	R539-N590 WeakPolarHBondContact CD-OD1 3.35Å; R539-N590 CarbonylContact O-C 3.53Å; R539-N590 VanDerWaalsContact O-CA 3.31Å; R539-N590 WeakPolarHBondContact O-CA 3.4Å; R539-N590 PolarHBondContact O-N 2.86Å; N590-C592 PolarHBondContact O-N 2.92Å; N590-C592 PolarHBondContact OD1-N 2.84Å; N590-D593 HydrophobicContact CB-CB 4.37Å; N590-D593 WeakPolarHBondContact ND2-CB 3.42Å; N590-D593 PolarHBondContact O-N 3.12Å; N590-P597 PolarHBondContact N-O 3.24Å
591	V	98.6	Very high	97.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.7	171.7	-61.4	0	0	0	0	114.1	M511 T513 L515 P517 R539 N541 I588	M511-V591 HydrophobicContact CB-CB 4.37Å; M511-V591 HydrophobicContact CB-CG2 4.26Å; M511-V591 HydrophobicContact CG-CG2 3.93Å; M511-V591 HydrophobicContact SD-CG2 3.85Å; T513-V591 WeakPolarHBondContact CG2-O 3.44Å; T513-V591 PolarHBondContact N-O 2.81Å; T513-V591 WeakPolarHBondContact OG1-CA 3.34Å; T513-V591 WeakPolarHBondContact OG1-CB 3.15Å; T513-V591 PolarHBondContact OG1-O 2.91Å; L515-V591 HydrophobicContact CB-CG1 4.14Å; L515-V591 WeakPolarHBondContact O-CB 3.46Å; L515-V591 WeakPolarHBondContact O-CG1 3.42Å; P517-V591 HydrophobicContact CB-CG2 3.92Å; P517-V591 HydrophobicContact CG-CG2 4.5Å; R539-V591 PolarHBondContact O-N 2.94Å; N541-V591 HydrophobicContact CB-CG1 3.6Å; I588-V591 HydrophobicContact CD1-CG1 4.03Å
592	C	97.9	Very high	97.9	Very high	26 Å²	26	39.5 Å²	39.5	18%	0.176	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	12	179.6	-51.7	0	0	0	0	113.7	E512 N590	E512-C592 WeakPolarHBondContact OE2-CA 3.26Å; E512-C592 WeakPolarHBondContact OE2-CB 3.17Å; N590-C592 PolarHBondContact O-N 2.92Å; N590-C592 PolarHBondContact OD1-N 2.84Å
593	D	97.5	Very high	98	Very high	52 Å²	52	38.5 Å²	38.5	28%	0.278	20%	0.197	S	C	.	.			trans	-139.6	93.3	-179	-172.6	-18.2	0	0	0	109.5	N590 D595 Y596 P597	N590-D593 HydrophobicContact CB-CB 4.37Å; N590-D593 WeakPolarHBondContact ND2-CB 3.42Å; N590-D593 PolarHBondContact O-N 3.12Å; D593-D595 VanDerWaalsContact C-N 3.28Å; D593-D595 PolarHBondContact O-N 3.38Å; D593-D595 PolarHBondContact OD1-N 2.79Å; D593-Y596 CarbonylContact O-C 3.5Å; D593-Y596 VanDerWaalsContact O-C 3.24Å; D593-Y596 PolarHBondContact O-N 2.86Å; D593-Y596 PolarHBondContact OD1-N 2.71Å; D593-P597 WeakPolarHBondContact O-CA 3.47Å; D593-P597 WeakPolarHBondContact O-CD 3.2Å; D593-P597 WeakPolarHBondContact O-CG 3.45Å; D593-P597 VanDerWaalsContact O-N 3.08Å
594	P	96.7	Very high	98	Very high	47 Å²	47	39.7 Å²	39.7	31%	0.305	20%	0.202	S	C	.	.	S	Bend	trans	-76.1	-17.5	-176.4	31.7	-34.4	0	0	0	112.8	E512 T513 Y577	E512-P594 HydrophobicContact CB-CG 4.14Å; T513-P594 HydrophobicContact CG2-CB 4.24Å; Y577-P594 HydrophobicContact CE1-CB 3.67Å
595	D	96.9	Very high	98	Very high	156 Å²	156	39.7 Å²	39.7	83%	0.834	20%	0.203	S	C	*	.	S	Bend	trans	-81.7	-33.9	175.6	-67.7	-31.4	0	0	0	110.9	D593	D593-D595 VanDerWaalsContact C-N 3.28Å; D593-D595 PolarHBondContact O-N 3.38Å; D593-D595 PolarHBondContact OD1-N 2.79Å
596	Y	95.1	Very high	98	Very high	149 Å²	149	40.3 Å²	40.3	58%	0.584	21%	0.205	S	C	*	.			trans	-140.2	79.4	174.2	-168.6	-106.1	0	0	0	113.4	D593 S598	D593-Y596 CarbonylContact O-C 3.5Å; D593-Y596 VanDerWaalsContact O-C 3.24Å; D593-Y596 PolarHBondContact O-N 2.86Å; D593-Y596 PolarHBondContact OD1-N 2.71Å; Y596-S598 VanDerWaalsContact CE1-CB 3.46Å; Y596-S598 PolarHBondContact O-N 3.12Å
597	P	94.6	Very high	98	Very high	17 Å²	17	40.2 Å²	40.2	11%	0.11	20%	0.204	C	C	.	.			trans	-61.3	-15	177	-25.5	35	0	0	0	114.7	T513 Y577 I588 N589 N590 D593	T513-P597 HydrophobicContact CG2-CG 4.38Å; Y577-P597 HydrophobicContact CD1-CG 4.08Å; I588-P597 HydrophobicContact CB-CB 4.08Å; I588-P597 WeakPolarHBondContact CB-O 3.16Å; I588-P597 HydrophobicContact CD1-CB 4.03Å; I588-P597 HydrophobicContact CG2-CB 3.85Å; N589-P597 PolarHBondContact N-O 3.25Å; N589-P597 VanDerWaalsContact N-O 3.1Å; N590-P597 PolarHBondContact N-O 3.24Å; D593-P597 WeakPolarHBondContact O-CA 3.47Å; D593-P597 WeakPolarHBondContact O-CD 3.2Å; D593-P597 WeakPolarHBondContact O-CG 3.45Å; D593-P597 VanDerWaalsContact O-N 3.08Å
598	S	97.6	Very high	98	Very high	30 Å²	30	40.2 Å²	40.2	21%	0.21	20%	0.204	C	C	.	.			trans	57.8	81.1	177.6	-173.4	0	0	0	0	113.2	N589 Y596	N589-S598 WeakPolarHBondContact CB-O 3.27Å; N589-S598 PolarHBondContact N-O 3.33Å; N589-S598 PolarHBondContact ND2-O 2.98Å; Y596-S598 VanDerWaalsContact CE1-CB 3.46Å; Y596-S598 PolarHBondContact O-N 3.12Å
599	P	97.8	Very high	98	Very high	64 Å²	64	40.2 Å²	40.2	42%	0.416	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-50.7	142.6	178.3	-32.1	38.8	0	0	0	115.2	V225 T586	V225-P599 HydrophobicContact CG2-CB 4.02Å; T586-P599 HydrophobicContact CG2-CB 3.78Å; T586-P599 HydrophobicContact CG2-CG 4.2Å
600	R	98.6	Very high	98	Very high	102 Å²	102	38 Å²	38	39%	0.385	19%	0.192	S	C	.	.			trans	-93.2	-9.2	174.9	-67	174.6	70	106.9	-18.6	113.8	S587 I588 N589	S587-R600 WeakPolarHBondContact O-CB 3.24Å; S587-R600 PolarHBondContact O-N 3.45Å; I588-R600 WeakPolarHBondContact O-CD 3.49Å; N589-R600 HydrophobicContact CB-CG 4.48Å; N589-R600 VanDerWaalsContact CG-CG 3.41Å; N589-R600 VanDerWaalsContact ND2-CG 3.32Å; N589-R600 WeakPolarHBondContact ND2-CG 3.46Å; N589-R600 WeakPolarHBondContact OD1-CD 3.4Å; N589-R600 VanDerWaalsContact OD1-CG 3.23Å; N589-R600 WeakPolarHBondContact OD1-CG 3.39Å; N589-R600 PolarHBondContact OD1-NH1 2.79Å
601	D	98.6	Very high	98	Very high	20 Å²	20	36.5 Å²	36.5	11%	0.107	18%	0.184	C	C	.	.	S	Bend	trans	59.1	47.8	-179.9	-175.5	43.4	0	0	0	113.1	R223 V225 S226 T586	R223-D601 WeakPolarHBondContact CB-O 3.48Å; R223-D601 WeakPolarHBondContact CG-O 3.5Å; R223-D601 IonicContact CZ-OD2 3.96Å; R223-D601 PolarHBondContact NE-O 3.01Å; R223-D601 IonicContact NE-OD2 1.98Å; R223-D601 PolarHBondContact NE-OD2 2.95Å; R223-D601 IonicContact NH2-OD2 2.72Å; R223-D601 PolarHBondContact NH2-OD2 3.23Å; V225-D601 WeakPolarHBondContact CA-OD1 3.5Å; V225-D601 HydrophobicContact CB-CB 4.02Å; V225-D601 VanDerWaalsContact CB-OD1 3.29Å; V225-D601 WeakPolarHBondContact CB-OD1 3.27Å; V225-D601 HydrophobicContact CG2-CB 4.24Å; V225-D601 PolarHBondContact N-OD1 3.39Å; S226-D601 WeakPolarHBondContact CB-OD2 3.36Å; S226-D601 PolarHBondContact N-OD1 2.94Å; S226-D601 PolarHBondContact OG-OD1 3.47Å; S226-D601 PolarHBondContact OG-OD2 2.8Å; T586-D601 PolarHBondContact OG1-N 2.98Å
602	K	98.8	Very high	98	Very high	54 Å²	54	36.5 Å²	36.5	24%	0.235	18%	0.184	C	C	.	.			trans	-148.5	135	174.8	-163.7	178.9	-175.1	-143.7	0	110	E221 L222 T586 S587 E604	E221-K602 VanDerWaalsContact CD-NZ 3.27Å; E221-K602 WeakPolarHBondContact OE1-CE 3.41Å; E221-K602 IonicContact OE1-NZ 2.8Å; E221-K602 PolarHBondContact OE1-NZ 2.74Å; E221-K602 WeakPolarHBondContact OE2-CE 3.27Å; E221-K602 IonicContact OE2-NZ 3.73Å; E221-K602 PolarHBondContact OE2-NZ 3.27Å; L222-K602 CarbonylContact O-C 3.59Å; T586-K602 WeakPolarHBondContact CA-O 3.49Å; S587-K602 PolarHBondContact N-O 3.09Å; S587-K602 PolarHBondContact OG-O 3.07Å; K602-E604 WeakPolarHBondContact CD-OE1 3.32Å; K602-E604 VanDerWaalsContact CE-OE2 3.29Å; K602-E604 WeakPolarHBondContact CE-OE2 3.3Å; K602-E604 IonicContact NZ-OE1 3.27Å; K602-E604 PolarHBondContact NZ-OE1 3.29Å; K602-E604 IonicContact NZ-OE2 3.52Å; K602-E604 PolarHBondContact NZ-OE2 3.1Å
603	M	98.8	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-109.4	110.2	165.5	-163.2	170.5	78.6	0	0	106.9	A208 L222 L543 Y585 F607 L608	A208-M603 HydrophobicContact CB-CE 4.24Å; A208-M603 HydrophobicContact CB-SD 3.95Å; L222-M603 HydrophobicContact CB-CB 4.09Å; L222-M603 HydrophobicContact CB-CE 4.15Å; L222-M603 HydrophobicContact CD2-CB 4.49Å; L222-M603 HydrophobicContact CD2-CE 3.82Å; L222-M603 HydrophobicContact CD2-SD 4.05Å; L222-M603 PolarHBondContact O-N 2.86Å; L543-M603 HydrophobicContact CD1-CG 4.41Å; Y585-M603 PolarHBondContact N-SD 3.39Å; Y585-M603 VanDerWaalsContact N-SD 3.37Å; Y585-M603 WeakPolarHBondContact O-CB 3.37Å; Y585-M603 WeakPolarHBondContact O-CG 3.39Å; M603-F607 HydrophobicContact CG-CD1 4.34Å; M603-F607 HydrophobicContact SD-CD1 4.31Å; M603-L608 HydrophobicContact CE-CD1 4.12Å; M603-L608 HydrophobicContact CE-CG 4.28Å
604	E	98.6	Very high	98.1	Very high	24 Å²	24	32.8 Å²	32.8	11%	0.112	16%	0.163	C	C	.	.			trans	-68.2	145.8	176.9	-51.9	-69.8	179.6	0	0	109.9	L542 K602 F606 F607	L542-E604 HydrophobicContact CB-CG 4.45Å; L542-E604 WeakPolarHBondContact O-CG 3.49Å; K602-E604 WeakPolarHBondContact CD-OE1 3.32Å; K602-E604 VanDerWaalsContact CE-OE2 3.29Å; K602-E604 WeakPolarHBondContact CE-OE2 3.3Å; K602-E604 IonicContact NZ-OE1 3.27Å; K602-E604 PolarHBondContact NZ-OE1 3.29Å; K602-E604 IonicContact NZ-OE2 3.52Å; K602-E604 PolarHBondContact NZ-OE2 3.1Å; E604-F606 VanDerWaalsContact C-N 3.31Å; E604-F606 HydrophobicContact CB-CD1 3.88Å; E604-F606 HydrophobicContact CB-CD2 3.92Å; E604-F606 HydrophobicContact CB-CE1 3.51Å; E604-F606 HydrophobicContact CB-CE2 3.55Å; E604-F606 HydrophobicContact CB-CG 4.08Å; E604-F606 HydrophobicContact CB-CZ 3.35Å; E604-F606 HydrophobicContact CG-CE1 3.9Å; E604-F606 HydrophobicContact CG-CE2 3.92Å; E604-F606 HydrophobicContact CG-CZ 3.44Å; E604-F606 VanDerWaalsContact CG-CZ 3.44Å; E604-F606 PolarHBondContact O-N 3.46Å; E604-F607 WeakPolarHBondContact O-CB 3.26Å; E604-F607 PolarHBondContact O-N 3.19Å; E604-F607 VanDerWaalsContact O-N 3.12Å
605	S	98.8	Very high	98.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-40.1	-175	73	0	0	0	0	111.9	D241 R282 F607 L608 G609	D241-S605 VanDerWaalsContact CG-OG 3.31Å; D241-S605 WeakPolarHBondContact OD2-CB 3.4Å; D241-S605 PolarHBondContact OD2-OG 2.84Å; R282-S605 PolarHBondContact NH1-OG 3.4Å; S605-F607 PolarHBondContact O-N 2.95Å; S605-L608 PolarHBondContact O-N 3.2Å; S605-G609 PolarHBondContact O-N 3.3Å
606	F	98.8	Very high	98.3	Very high	13 Å²	13	23.6 Å²	23.6	6%	0.057	11%	0.11	C	C	.	.	H	α-helix	trans	-57.9	-15.3	176.7	53	-111	0	0	0	114.9	D241 L542 R544 E604 L608 E610 T611 E636	D241-F606 PolarHBondContact OD2-N 2.96Å; L542-F606 HydrophobicContact CB-CZ 4.28Å; L542-F606 VanDerWaalsContact O-CE2 3.28Å; L542-F606 WeakPolarHBondContact O-CE2 3.43Å; R544-F606 HydrophobicContact CB-CE2 4.37Å; R544-F606 HydrophobicContact CG-CE2 4Å; R544-F606 HydrophobicContact CG-CZ 4.1Å; E604-F606 VanDerWaalsContact C-N 3.31Å; E604-F606 HydrophobicContact CB-CD1 3.88Å; E604-F606 HydrophobicContact CB-CD2 3.92Å; E604-F606 HydrophobicContact CB-CE1 3.51Å; E604-F606 HydrophobicContact CB-CE2 3.55Å; E604-F606 HydrophobicContact CB-CG 4.08Å; E604-F606 HydrophobicContact CB-CZ 3.35Å; E604-F606 HydrophobicContact CG-CE1 3.9Å; E604-F606 HydrophobicContact CG-CE2 3.92Å; E604-F606 HydrophobicContact CG-CZ 3.44Å; E604-F606 VanDerWaalsContact CG-CZ 3.44Å; E604-F606 PolarHBondContact O-N 3.46Å; F606-L608 VanDerWaalsContact C-N 3.26Å; F606-L608 PolarHBondContact O-N 3.48Å; F606-E610 HydrophobicContact CB-CB 4.33Å; F606-E610 HydrophobicContact CB-CG 3.88Å; F606-E610 VanDerWaalsContact CB-OE1 3.28Å; F606-E610 WeakPolarHBondContact CB-OE1 3.45Å; F606-E610 WeakPolarHBondContact O-CA 3.41Å; F606-E610 WeakPolarHBondContact O-CB 3.31Å; F606-E610 PolarHBondContact O-N 3.44Å; F606-T611 PolarHBondContact O-N 3.32Å; F606-E636 WeakPolarHBondContact CB-OE1 3.47Å
607	F	98.9	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-63.8	-38.3	170.7	-174.3	-112.8	0	0	0	111	A208 L543 Y585 M603 E604 S605 T611 L612	A208-F607 HydrophobicContact CB-CE1 4.4Å; L543-F607 HydrophobicContact CB-CB 4.18Å; L543-F607 HydrophobicContact CB-CD2 3.6Å; L543-F607 HydrophobicContact CB-CE2 4.3Å; L543-F607 HydrophobicContact CB-CG 4.1Å; L543-F607 HydrophobicContact CD1-CB 4.17Å; L543-F607 HydrophobicContact CD1-CD1 4.37Å; L543-F607 HydrophobicContact CD1-CD2 4.05Å; L543-F607 HydrophobicContact CD1-CG 3.92Å; L543-F607 HydrophobicContact CG-CD2 4.34Å; Y585-F607 HydrophobicContact CD1-CE1 4.08Å; Y585-F607 AromaticContact CD1-CZ 3.86Å; Y585-F607 HydrophobicContact CD1-CZ 3.86Å; Y585-F607 HydrophobicContact CD2-CD1 4.42Å; Y585-F607 AromaticContact CD2-CE1 3.49Å; Y585-F607 HydrophobicContact CD2-CE1 3.49Å; Y585-F607 VanDerWaalsContact CD2-CE1 3.49Å; Y585-F607 HydrophobicContact CD2-CZ 4.09Å; Y585-F607 HydrophobicContact CE1-CZ 4.28Å; Y585-F607 HydrophobicContact CE2-CE1 4.1Å; Y585-F607 HydrophobicContact CG-CD1 4.4Å; Y585-F607 AromaticContact CG-CE1 3.5Å; Y585-F607 HydrophobicContact CG-CE1 3.5Å; Y585-F607 VanDerWaalsContact CG-CE1 3.5Å; Y585-F607 AromaticContact CG-CZ 3.76Å; Y585-F607 HydrophobicContact CG-CZ 3.76Å; M603-F607 HydrophobicContact CG-CD1 4.34Å; M603-F607 HydrophobicContact SD-CD1 4.31Å; E604-F607 WeakPolarHBondContact O-CB 3.26Å; E604-F607 PolarHBondContact O-N 3.19Å; E604-F607 VanDerWaalsContact O-N 3.12Å; S605-F607 PolarHBondContact O-N 2.95Å; F607-T611 HydrophobicContact CD2-CG2 3.8Å; F607-T611 HydrophobicContact CE2-CG2 3.85Å; F607-L612 HydrophobicContact CD1-CD1 4.36Å; F607-L612 HydrophobicContact CE1-CD1 3.89Å; F607-L612 HydrophobicContact CE1-CD2 4.33Å; F607-L612 HydrophobicContact CE1-CG 4.1Å; F607-L612 HydrophobicContact CE2-CD2 4.29Å; F607-L612 HydrophobicContact CE2-CG 4.43Å; F607-L612 HydrophobicContact CZ-CD1 4.28Å; F607-L612 HydrophobicContact CZ-CD2 3.88Å; F607-L612 HydrophobicContact CZ-CG 4.07Å; F607-L612 WeakPolarHBondContact O-CG 3.41Å; F607-L612 PolarHBondContact O-N 3.45Å; F607-L612 VanDerWaalsContact O-N 3.07Å
608	L	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-88	-40.4	173.7	-59.2	-167.3	0	0	0	112.5	F205 A208 W209 T238 A242 T245 M603 S605 F606 L612	F205-L608 HydrophobicContact CD2-CD2 3.96Å; F205-L608 HydrophobicContact CE2-CB 3.99Å; F205-L608 HydrophobicContact CE2-CD1 4.39Å; F205-L608 HydrophobicContact CE2-CD2 3.98Å; F205-L608 HydrophobicContact CE2-CG 4.34Å; F205-L608 HydrophobicContact CZ-CD1 4.39Å; A208-L608 HydrophobicContact CB-CD2 3.64Å; W209-L608 HydrophobicContact CE3-CD1 3.82Å; W209-L608 HydrophobicContact CZ3-CD1 4.3Å; T238-L608 HydrophobicContact CG2-CD1 3.82Å; A242-L608 HydrophobicContact CB-CB 3.89Å; A242-L608 HydrophobicContact CB-CD1 4.16Å; T245-L608 WeakPolarHBondContact CB-O 3.44Å; T245-L608 VanDerWaalsContact CG2-O 3.31Å; T245-L608 WeakPolarHBondContact CG2-O 3.27Å; T245-L608 PolarHBondContact OG1-O 2.86Å; M603-L608 HydrophobicContact CE-CD1 4.12Å; M603-L608 HydrophobicContact CE-CG 4.28Å; S605-L608 PolarHBondContact O-N 3.2Å; F606-L608 VanDerWaalsContact C-N 3.26Å; F606-L608 PolarHBondContact O-N 3.48Å; L608-L612 HydrophobicContact CD2-CD1 3.83Å
609	G	98.8	Very high	98.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-64.7	-41.3	178.9	0	0	0	0	0	112.9	D241 T245 S605 K613	D241-G609 WeakPolarHBondContact O-CA 3.3Å; T245-G609 PolarHBondContact OG1-O 3.17Å; S605-G609 PolarHBondContact O-N 3.3Å; G609-K613 WeakPolarHBondContact O-CB 3.37Å; G609-K613 WeakPolarHBondContact O-CD 3.41Å; G609-K613 WeakPolarHBondContact O-CE 3.47Å; G609-K613 PolarHBondContact O-NZ 2.95Å
610	E	98.9	Very high	98.7	Very high	12 Å²	12	11.3 Å²	11.3	6%	0.056	5%	0.048	C	C	.	.	I	π-helix	trans	-121.8	-57.4	-167.6	-49.7	-163.6	-99.4	0	0	113.2	P545 F606 L612 K613 Y614 E636 A637	P545-E610 HydrophobicContact CB-CB 3.54Å; P545-E610 HydrophobicContact CG-CB 3.73Å; P545-E610 HydrophobicContact CG-CG 4.31Å; P545-E610 WeakPolarHBondContact CG-OE1 3.4Å; F606-E610 HydrophobicContact CB-CB 4.33Å; F606-E610 HydrophobicContact CB-CG 3.88Å; F606-E610 VanDerWaalsContact CB-OE1 3.28Å; F606-E610 WeakPolarHBondContact CB-OE1 3.45Å; F606-E610 WeakPolarHBondContact O-CA 3.41Å; F606-E610 WeakPolarHBondContact O-CB 3.31Å; F606-E610 PolarHBondContact O-N 3.44Å; E610-L612 PolarHBondContact O-N 2.94Å; E610-K613 WeakPolarHBondContact O-CB 3.31Å; E610-K613 PolarHBondContact O-N 2.86Å; E610-K613 VanDerWaalsContact O-N 3.13Å; E610-Y614 HydrophobicContact CB-CD2 4.33Å; E610-Y614 HydrophobicContact CB-CE2 4.37Å; E610-Y614 WeakPolarHBondContact O-CD2 3.2Å; E610-Y614 PolarHBondContact O-N 3.41Å; E610-E636 VanDerWaalsContact CD-CA 3.48Å; E610-E636 HydrophobicContact CG-CG 4.18Å; E610-E636 WeakPolarHBondContact OE2-CA 3.41Å; E610-A637 HydrophobicContact CB-CB 3.8Å; E610-A637 HydrophobicContact CG-CB 3.66Å; E610-A637 PolarHBondContact OE2-N 3.45Å
611	T	98.9	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-63.1	-48.9	-165.9	-62.3	0	0	0	0	111.4	L543 P545 V548 F574 F606 F607 F615	L543-T611 PolarHBondContact O-OG1 3.06Å; P545-T611 WeakPolarHBondContact CA-OG1 3.49Å; P545-T611 WeakPolarHBondContact CB-OG1 3.39Å; V548-T611 HydrophobicContact CG1-CG2 4.23Å; F574-T611 HydrophobicContact CE2-CG2 3.93Å; F574-T611 HydrophobicContact CZ-CG2 4.47Å; F606-T611 PolarHBondContact O-N 3.32Å; F607-T611 HydrophobicContact CD2-CG2 3.8Å; F607-T611 HydrophobicContact CE2-CG2 3.85Å; T611-F615 HydrophobicContact CG2-CD2 3.99Å; T611-F615 HydrophobicContact CG2-CE2 3.59Å; T611-F615 WeakPolarHBondContact O-CD2 3.47Å; T611-F615 PolarHBondContact O-N 3.32Å; T611-F615 VanDerWaalsContact O-N 3.09Å
612	L	98.9	Very high	98.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-72.8	-31.2	175.7	-64	-175.4	0	0	0	113	V201 A204 F205 L571 F607 L608 E610 F615 Y616	V201-L612 HydrophobicContact CG1-CB 4.19Å; V201-L612 HydrophobicContact CG1-CD2 4.37Å; V201-L612 VanDerWaalsContact CG1-O 3.26Å; V201-L612 WeakPolarHBondContact CG1-O 3.36Å; A204-L612 HydrophobicContact CB-CD1 4.4Å; A204-L612 HydrophobicContact CB-CD2 4.05Å; F205-L612 HydrophobicContact CB-CD1 3.87Å; F205-L612 HydrophobicContact CD2-CB 4.46Å; F205-L612 HydrophobicContact CD2-CD1 4.05Å; F205-L612 HydrophobicContact CG-CD1 4.39Å; L571-L612 HydrophobicContact CD1-CD2 4.27Å; F607-L612 HydrophobicContact CD1-CD1 4.36Å; F607-L612 HydrophobicContact CE1-CD1 3.89Å; F607-L612 HydrophobicContact CE1-CD2 4.33Å; F607-L612 HydrophobicContact CE1-CG 4.1Å; F607-L612 HydrophobicContact CE2-CD2 4.29Å; F607-L612 HydrophobicContact CE2-CG 4.43Å; F607-L612 HydrophobicContact CZ-CD1 4.28Å; F607-L612 HydrophobicContact CZ-CD2 3.88Å; F607-L612 HydrophobicContact CZ-CG 4.07Å; F607-L612 WeakPolarHBondContact O-CG 3.41Å; F607-L612 PolarHBondContact O-N 3.45Å; F607-L612 VanDerWaalsContact O-N 3.07Å; L608-L612 HydrophobicContact CD2-CD1 3.83Å; E610-L612 PolarHBondContact O-N 2.94Å; L612-F615 HydrophobicContact CD2-CD2 4.3Å; L612-F615 PolarHBondContact O-N 2.98Å; L612-Y616 PolarHBondContact O-N 3.43Å
613	K	98.9	Very high	97.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.7	-51.1	174.5	-175.8	-173.4	-74.1	150.9	0	110.7	D244 T245 I248 G609 E610 Y616 L617 F633 A637 H638	D244-K613 VanDerWaalsContact OD1-CE 3.26Å; D244-K613 WeakPolarHBondContact OD1-CE 3.38Å; D244-K613 IonicContact OD1-NZ 3.46Å; D244-K613 PolarHBondContact OD1-NZ 3.3Å; D244-K613 IonicContact OD2-NZ 3.27Å; D244-K613 PolarHBondContact OD2-NZ 3.22Å; T245-K613 HydrophobicContact CG2-CB 4.09Å; T245-K613 WeakPolarHBondContact OG1-CE 3.5Å; I248-K613 HydrophobicContact CD1-CD 4.13Å; I248-K613 HydrophobicContact CD1-CG 4.24Å; G609-K613 WeakPolarHBondContact O-CB 3.37Å; G609-K613 WeakPolarHBondContact O-CD 3.41Å; G609-K613 WeakPolarHBondContact O-CE 3.47Å; G609-K613 PolarHBondContact O-NZ 2.95Å; E610-K613 WeakPolarHBondContact O-CB 3.31Å; E610-K613 PolarHBondContact O-N 2.86Å; E610-K613 VanDerWaalsContact O-N 3.13Å; K613-Y616 PolarHBondContact O-N 3.31Å; K613-L617 HydrophobicContact CG-CD1 4.03Å; K613-L617 VanDerWaalsContact O-CG 3.32Å; K613-L617 WeakPolarHBondContact O-CG 3.34Å; K613-L617 PolarHBondContact O-N 2.95Å; K613-F633 HydrophobicContact CD-CE1 4.3Å; K613-A637 HydrophobicContact CD-CB 3.95Å; K613-A637 WeakPolarHBondContact CD-O 3.44Å; K613-A637 WeakPolarHBondContact CE-O 3.49Å; K613-A637 PolarHBondContact NZ-O 3.24Å; K613-H638 PolarHBondContact NZ-ND1 3.37Å
614	Y	98.9	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.3	-34.6	177.5	-71.8	-53.6	0	0	0	113	P545 E549 F552 E610 L617 L618 F633 A637	P545-Y614 HydrophobicContact CB-CD2 4.35Å; E549-Y614 HydrophobicContact CB-CD2 3.68Å; E549-Y614 HydrophobicContact CB-CE1 4.46Å; E549-Y614 HydrophobicContact CB-CE2 3.53Å; E549-Y614 HydrophobicContact CB-CG 4.2Å; E549-Y614 HydrophobicContact CG-CD2 4.29Å; E549-Y614 HydrophobicContact CG-CE1 4.12Å; E549-Y614 HydrophobicContact CG-CE2 3.69Å; E549-Y614 PolarHBondContact OE1-OH 2.84Å; F552-Y614 HydrophobicContact CB-CD1 4.15Å; F552-Y614 AromaticContact CD1-CD1 3.65Å; F552-Y614 HydrophobicContact CD1-CD1 3.65Å; F552-Y614 AromaticContact CD1-CE1 3.79Å; F552-Y614 HydrophobicContact CD1-CE1 3.79Å; F552-Y614 HydrophobicContact CE1-CD1 4.26Å; F552-Y614 HydrophobicContact CE1-CE1 4.1Å; F552-Y614 AromaticContact CG-CD1 3.95Å; F552-Y614 HydrophobicContact CG-CD1 3.95Å; E610-Y614 HydrophobicContact CB-CD2 4.33Å; E610-Y614 HydrophobicContact CB-CE2 4.37Å; E610-Y614 WeakPolarHBondContact O-CD2 3.2Å; E610-Y614 PolarHBondContact O-N 3.41Å; Y614-L617 HydrophobicContact CD1-CD1 4.49Å; Y614-L617 PolarHBondContact O-N 2.85Å; Y614-L618 WeakPolarHBondContact O-CB 3.5Å; Y614-L618 PolarHBondContact O-N 2.86Å; Y614-F633 HydrophobicContact CE1-CD2 4.26Å; Y614-F633 HydrophobicContact CE1-CE2 4.39Å; Y614-F633 HydrophobicContact CE1-CG 4.37Å; Y614-A637 HydrophobicContact CD2-CB 4.09Å; Y614-A637 HydrophobicContact CE1-CB 4.31Å; Y614-A637 HydrophobicContact CE2-CB 3.35Å; Y614-A637 VanDerWaalsContact CZ-CB 3.49Å
615	F	98.9	Very high	97.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.6	-44.9	170.7	-81.3	-54.9	0	0	0	112.2	V201 V548 G567 I570 L571 F574 T611 L612 L618 F619	V201-F615 HydrophobicContact CG1-CB 4.21Å; V201-F615 HydrophobicContact CG2-CB 3.69Å; V548-F615 HydrophobicContact CB-CD1 4.36Å; V548-F615 HydrophobicContact CB-CE1 3.96Å; V548-F615 HydrophobicContact CB-CZ 4.04Å; V548-F615 HydrophobicContact CG1-CE2 4.34Å; V548-F615 HydrophobicContact CG1-CZ 4.33Å; V548-F615 HydrophobicContact CG2-CB 4.43Å; V548-F615 HydrophobicContact CG2-CD1 3.4Å; V548-F615 HydrophobicContact CG2-CD2 4.27Å; V548-F615 HydrophobicContact CG2-CE1 3.46Å; V548-F615 VanDerWaalsContact CG2-CE1 3.46Å; V548-F615 HydrophobicContact CG2-CE2 4.36Å; V548-F615 HydrophobicContact CG2-CG 3.78Å; V548-F615 HydrophobicContact CG2-CZ 3.96Å; G567-F615 WeakPolarHBondContact O-CE1 3.39Å; I570-F615 HydrophobicContact CB-CE1 4.36Å; I570-F615 HydrophobicContact CB-CZ 4.08Å; I570-F615 HydrophobicContact CG2-CZ 3.82Å; L571-F615 HydrophobicContact CB-CD1 4.21Å; L571-F615 HydrophobicContact CB-CD2 4.48Å; L571-F615 HydrophobicContact CB-CE1 4.04Å; L571-F615 HydrophobicContact CB-CE2 4.29Å; L571-F615 HydrophobicContact CB-CG 4.48Å; L571-F615 HydrophobicContact CB-CZ 4.09Å; L571-F615 HydrophobicContact CD1-CD2 4.1Å; L571-F615 HydrophobicContact CD1-CE2 4.27Å; F574-F615 AromaticContact CD2-CE2 3.93Å; F574-F615 HydrophobicContact CD2-CE2 3.93Å; F574-F615 HydrophobicContact CD2-CZ 4.2Å; F574-F615 AromaticContact CE2-CE2 3.94Å; F574-F615 HydrophobicContact CE2-CE2 3.94Å; F574-F615 HydrophobicContact CE2-CZ 4.13Å; T611-F615 HydrophobicContact CG2-CD2 3.99Å; T611-F615 HydrophobicContact CG2-CE2 3.59Å; T611-F615 WeakPolarHBondContact O-CD2 3.47Å; T611-F615 PolarHBondContact O-N 3.32Å; T611-F615 VanDerWaalsContact O-N 3.09Å; L612-F615 HydrophobicContact CD2-CD2 4.3Å; L612-F615 PolarHBondContact O-N 2.98Å; F615-L618 PolarHBondContact O-N 2.84Å; F615-F619 HydrophobicContact CB-CE2 4.11Å; F615-F619 HydrophobicContact CD1-CE2 4.16Å; F615-F619 AromaticContact CD1-CZ 3.96Å; F615-F619 HydrophobicContact CD1-CZ 3.96Å; F615-F619 WeakPolarHBondContact O-CD2 3.42Å; F615-F619 WeakPolarHBondContact O-CG 3.36Å; F615-F619 PolarHBondContact O-N 3.47Å; F615-F619 VanDerWaalsContact O-N 3.13Å
616	Y	98.9	Very high	97.3	Very high	9 Å²	9	18.2 Å²	18.2	4%	0.035	10%	0.101	C	C	.	.	H	α-helix	trans	-63.3	-46	179.2	-174.8	-100.1	0	0	0	111.7	M198 V201 R202 I248 L249 L612 K613 L618 F619 S620 L625	M198-Y616 HydrophobicContact CB-CD2 4.13Å; M198-Y616 HydrophobicContact CB-CE2 4Å; M198-Y616 HydrophobicContact CE-CD1 4.26Å; M198-Y616 HydrophobicContact CE-CD2 4.08Å; M198-Y616 HydrophobicContact CE-CE1 3.75Å; M198-Y616 HydrophobicContact CE-CE2 3.53Å; M198-Y616 HydrophobicContact CE-CG 4.43Å; M198-Y616 HydrophobicContact CG-CD2 4.39Å; M198-Y616 HydrophobicContact CG-CE2 4.44Å; V201-Y616 HydrophobicContact CB-CD2 4.47Å; R202-Y616 HydrophobicContact CG-CE2 4.1Å; R202-Y616 PolarHBondContact NH2-OH 3.31Å; I248-Y616 HydrophobicContact CG2-CD1 3.93Å; I248-Y616 HydrophobicContact CG2-CE1 4.07Å; I248-Y616 WeakPolarHBondContact O-CE1 3.22Å; I248-Y616 PolarHBondContact O-OH 3.36Å; L249-Y616 HydrophobicContact CB-CE2 4.47Å; L249-Y616 HydrophobicContact CD1-CD1 3.65Å; L249-Y616 HydrophobicContact CD1-CD2 4.05Å; L249-Y616 HydrophobicContact CD1-CE1 4.23Å; L249-Y616 HydrophobicContact CD1-CG 3.52Å; L249-Y616 HydrophobicContact CG-CD1 4.18Å; L249-Y616 HydrophobicContact CG-CD2 3.76Å; L249-Y616 HydrophobicContact CG-CE1 4.45Å; L249-Y616 HydrophobicContact CG-CE2 4.07Å; L249-Y616 HydrophobicContact CG-CG 3.79Å; L612-Y616 PolarHBondContact O-N 3.43Å; K613-Y616 PolarHBondContact O-N 3.31Å; Y616-L618 PolarHBondContact O-N 3.01Å; Y616-F619 PolarHBondContact O-N 2.96Å; Y616-S620 PolarHBondContact O-N 3.41Å; Y616-L625 HydrophobicContact CD1-CD2 4.19Å; Y616-L625 HydrophobicContact CE1-CD2 3.72Å
617	L	98.8	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.2	-31.3	178	-66.5	171.7	0	0	0	113.4	I248 F552 K613 Y614 L625 I626 F633	I248-L617 HydrophobicContact CG2-CD2 4.01Å; I248-L617 HydrophobicContact CG2-CG 4.47Å; F552-L617 HydrophobicContact CD2-CB 3.59Å; F552-L617 HydrophobicContact CE2-CB 3.56Å; F552-L617 HydrophobicContact CE2-CD1 4.32Å; F552-L617 HydrophobicContact CE2-CG 4.46Å; F552-L617 HydrophobicContact CG-CB 4.47Å; F552-L617 HydrophobicContact CZ-CB 4.42Å; F552-L617 HydrophobicContact CZ-CD1 4.41Å; K613-L617 HydrophobicContact CG-CD1 4.03Å; K613-L617 VanDerWaalsContact O-CG 3.32Å; K613-L617 WeakPolarHBondContact O-CG 3.34Å; K613-L617 PolarHBondContact O-N 2.95Å; Y614-L617 HydrophobicContact CD1-CD1 4.49Å; Y614-L617 PolarHBondContact O-N 2.85Å; L617-L625 HydrophobicContact CD2-CD2 4.03Å; L617-L625 HydrophobicContact CD2-CG 3.87Å; L617-I626 HydrophobicContact CD2-CB 4.32Å; L617-I626 HydrophobicContact CD2-CG1 4.13Å; L617-F633 HydrophobicContact CD1-CE1 4.17Å; L617-F633 HydrophobicContact CD1-CE2 4.35Å; L617-F633 HydrophobicContact CD1-CZ 3.52Å
618	L	98.7	Very high	97.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-39.8	173.5	170.3	61.1	0	0	0	111.7	V548 L551 F552 Y555 Q564 Y614 F615 Y616	V548-L618 HydrophobicContact CG2-CD2 4.17Å; L551-L618 HydrophobicContact CB-CD1 4.26Å; L551-L618 HydrophobicContact CB-CD2 3.87Å; L551-L618 HydrophobicContact CD1-CD2 4.38Å; L551-L618 WeakPolarHBondContact O-CD1 3.47Å; F552-L618 HydrophobicContact CB-CB 4.29Å; Y555-L618 HydrophobicContact CD1-CD1 4.18Å; Y555-L618 VanDerWaalsContact CD1-O 3.3Å; Y555-L618 WeakPolarHBondContact CD1-O 3.32Å; Y555-L618 WeakPolarHBondContact CE1-O 3.34Å; Y555-L618 HydrophobicContact CG-CD1 3.98Å; Q564-L618 HydrophobicContact CG-CD1 3.89Å; Q564-L618 HydrophobicContact CG-CG 4.31Å; Q564-L618 WeakPolarHBondContact CG-O 3.32Å; Q564-L618 PolarHBondContact NE2-O 2.93Å; Y614-L618 WeakPolarHBondContact O-CB 3.5Å; Y614-L618 PolarHBondContact O-N 2.86Å; F615-L618 PolarHBondContact O-N 2.84Å; Y616-L618 PolarHBondContact O-N 3.01Å
619	F	98.6	Very high	97	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-80.7	-22.1	-178.7	-58.6	-38.5	0	0	0	113.8	R197 M198 V201 Q564 W568 L571 F615 Y616 E621	R197-F619 HydrophobicContact CB-CB 3.95Å; R197-F619 HydrophobicContact CB-CD1 4.13Å; R197-F619 HydrophobicContact CB-CD2 3.68Å; R197-F619 HydrophobicContact CB-CE2 4.23Å; R197-F619 HydrophobicContact CB-CG 3.64Å; M198-F619 HydrophobicContact CG-CB 3.8Å; V201-F619 HydrophobicContact CG2-CD2 3.72Å; V201-F619 HydrophobicContact CG2-CE2 3.67Å; Q564-F619 HydrophobicContact CB-CD1 4.25Å; Q564-F619 HydrophobicContact CB-CE1 4.46Å; Q564-F619 PolarHBondContact NE2-O 3.46Å; Q564-F619 WeakPolarHBondContact O-CE1 3.24Å; W568-F619 HydrophobicContact CB-CE1 4.21Å; W568-F619 HydrophobicContact CB-CZ 4.21Å; W568-F619 HydrophobicContact CE3-CE2 4.11Å; W568-F619 AromaticContact CE3-CZ 3.98Å; W568-F619 HydrophobicContact CE3-CZ 3.98Å; L571-F619 HydrophobicContact CD2-CE2 3.86Å; L571-F619 HydrophobicContact CD2-CZ 4.46Å; F615-F619 HydrophobicContact CB-CE2 4.11Å; F615-F619 HydrophobicContact CD1-CE2 4.16Å; F615-F619 AromaticContact CD1-CZ 3.96Å; F615-F619 HydrophobicContact CD1-CZ 3.96Å; F615-F619 WeakPolarHBondContact O-CD2 3.42Å; F615-F619 WeakPolarHBondContact O-CG 3.36Å; F615-F619 PolarHBondContact O-N 3.47Å; F615-F619 VanDerWaalsContact O-N 3.13Å; Y616-F619 PolarHBondContact O-N 2.96Å; F619-E621 PolarHBondContact O-N 3.36Å
620	S	97	Very high	96.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.014	16%	0.158	C	C	.	.			trans	-68.4	121.6	175.7	-176.4	0	0	0	0	113.1	R556 Y616 D622	R556-S620 PolarHBondContact NH1-O 3.48Å; Y616-S620 PolarHBondContact O-N 3.41Å; S620-D622 VanDerWaalsContact C-N 3.34Å; S620-D622 PolarHBondContact OG-N 2.86Å; S620-D622 PolarHBondContact OG-O 3Å
621	E	93.4	Very high	96.9	Very high	63 Å²	63	31.9 Å²	31.9	29%	0.294	17%	0.165	S	C	.	.			trans	-76.7	-24.1	169.3	-54.2	-146.3	111.1	0	0	111.4	S190 E194 Y555 R561 F619 A623	S190-E621 PolarHBondContact OG-OE2 2.7Å; S190-E621 VanDerWaalsContact OG-OE2 3.06Å; E194-E621 HydrophobicContact CB-CG 4.47Å; E194-E621 HydrophobicContact CG-CG 4.37Å; E194-E621 WeakPolarHBondContact OE1-CB 3.41Å; E194-E621 PolarHBondContact OE1-N 3.35Å; Y555-E621 PolarHBondContact OH-OE1 3.33Å; R561-E621 IonicContact CZ-OE1 2.92Å; R561-E621 IonicContact NE-OE1 2.73Å; R561-E621 IonicContact NH2-OE1 3.74Å; R561-E621 PolarHBondContact NH2-OE1 3.08Å; R561-E621 IonicContact NH2-OE2 3.45Å; R561-E621 PolarHBondContact NH2-OE2 3.29Å; F619-E621 PolarHBondContact O-N 3.36Å; E621-A623 PolarHBondContact O-N 3.36Å
622	D	93.5	Very high	96.9	Very high	84 Å²	84	32 Å²	32	45%	0.449	17%	0.166	S	C	.	.			trans	-61.5	115.5	173.7	178.8	9.8	0	0	0	110.9	R556 S620 D624 L625	R556-D622 PolarHBondContact NH1-O 2.95Å; R556-D622 PolarHBondContact NH2-O 3.34Å; S620-D622 VanDerWaalsContact C-N 3.34Å; S620-D622 PolarHBondContact OG-N 2.86Å; S620-D622 PolarHBondContact OG-O 3Å; D622-D624 PolarHBondContact OD1-N 2.75Å; D622-L625 HydrophobicContact CB-CB 4.37Å
623	A	89.9	Confident	96.9	Very high	50 Å²	50	32 Å²	32	41%	0.413	17%	0.166	S	C	.	.	S	Bend	trans	-83.7	-16.6	-179.4	0	0	0	0	0	113.8	E621 N627	E621-A623 PolarHBondContact O-N 3.36Å; A623-N627 WeakPolarHBondContact O-CA 3.36Å
624	D	93.9	Very high	96.9	Very high	102 Å²	102	32 Å²	32	55%	0.545	17%	0.166	S	C	.	.	S	Bend	trans	-84.3	-20.7	176.8	-85.2	-51.3	0	0	0	112.8	D622 I626 N627 K630	D622-D624 PolarHBondContact OD1-N 2.75Å; D624-I626 PolarHBondContact O-N 3.4Å; D624-N627 PolarHBondContact O-N 2.95Å; D624-N627 PolarHBondContact OD1-ND2 3.44Å; D624-K630 IonicContact OD1-NZ 2.72Å
625	L	95.1	Very high	96.8	Very high	36 Å²	36	33.3 Å²	33.3	19%	0.188	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	98.3	166.7	-179.1	63.2	0	0	0	110.6	M198 I248 R556 Y616 L617 D622	M198-L625 HydrophobicContact CE-CD2 4.48Å; I248-L625 HydrophobicContact CG2-CD1 4.31Å; R556-L625 PolarHBondContact NH2-O 2.84Å; Y616-L625 HydrophobicContact CD1-CD2 4.19Å; Y616-L625 HydrophobicContact CE1-CD2 3.72Å; L617-L625 HydrophobicContact CD2-CD2 4.03Å; L617-L625 HydrophobicContact CD2-CG 3.87Å; D622-L625 HydrophobicContact CB-CB 4.37Å
626	I	97.1	Very high	96.8	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.056	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	69.4	-168.2	-45.5	-59.4	0	0	0	111.4	I248 L293 L617 D624 L628 Y631 F633 P639	I248-I626 HydrophobicContact CD1-CD1 4.11Å; I248-I626 HydrophobicContact CD1-CG1 4.03Å; I248-I626 HydrophobicContact CG1-CD1 4.09Å; I248-I626 HydrophobicContact CG1-CG1 4.2Å; L293-I626 HydrophobicContact CD2-CD1 3.67Å; L617-I626 HydrophobicContact CD2-CB 4.32Å; L617-I626 HydrophobicContact CD2-CG1 4.13Å; D624-I626 PolarHBondContact O-N 3.4Å; I626-L628 PolarHBondContact O-N 3.27Å; I626-Y631 HydrophobicContact CG2-CD2 4.19Å; I626-Y631 HydrophobicContact CG2-CG 4.13Å; I626-F633 HydrophobicContact CB-CZ 4.08Å; I626-F633 HydrophobicContact CG2-CE1 4.03Å; I626-F633 HydrophobicContact CG2-CE2 3.9Å; I626-F633 HydrophobicContact CG2-CZ 3.38Å; I626-P639 HydrophobicContact CD1-CG 4.27Å; I626-P639 HydrophobicContact CG2-CB 3.81Å; I626-P639 HydrophobicContact CG2-CG 4.38Å
627	N	96.8	Very high	96.8	Very high	26 Å²	26	33 Å²	33	14%	0.139	17%	0.173	C	C	.	.			trans	-60.4	119.8	177.5	-172	-44.4	0	0	0	111.8	A623 D624 D629 K630 Y631	A623-N627 WeakPolarHBondContact O-CA 3.36Å; D624-N627 PolarHBondContact O-N 2.95Å; D624-N627 PolarHBondContact OD1-ND2 3.44Å; N627-D629 PolarHBondContact O-N 2.94Å; N627-D629 WeakPolarHBondContact OD1-CB 3.45Å; N627-D629 PolarHBondContact OD1-N 3.43Å; N627-K630 HydrophobicContact CB-CB 4.37Å; N627-K630 HydrophobicContact CB-CD 4.07Å; N627-K630 HydrophobicContact CB-CG 4.27Å; N627-K630 PolarHBondContact O-N 3.02Å; N627-Y631 PolarHBondContact O-N 3.32Å
628	L	96.9	Very high	96.8	Very high	13 Å²	13	33 Å²	33	7%	0.068	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.6	-175.7	-66.5	178.9	0	0	0	114.9	F552 Y553 R556 F557 I626 K630 F633	F552-L628 HydrophobicContact CE1-CD1 4.17Å; F552-L628 HydrophobicContact CE1-CD2 4.16Å; F552-L628 HydrophobicContact CZ-CD1 3.96Å; F552-L628 HydrophobicContact CZ-CD2 4Å; F552-L628 HydrophobicContact CZ-CG 4.23Å; Y553-L628 HydrophobicContact CD1-CD1 3.82Å; Y553-L628 HydrophobicContact CE1-CD1 3.88Å; Y553-L628 HydrophobicContact CE1-CD2 3.94Å; R556-L628 HydrophobicContact CB-CD1 3.97Å; R556-L628 HydrophobicContact CG-CD1 3.98Å; F557-L628 HydrophobicContact CE1-CB 4.4Å; F557-L628 HydrophobicContact CE1-CD1 3.71Å; F557-L628 HydrophobicContact CE2-CD1 4.41Å; F557-L628 HydrophobicContact CZ-CD1 3.53Å; I626-L628 PolarHBondContact O-N 3.27Å; L628-K630 VanDerWaalsContact C-N 3.34Å; L628-F633 HydrophobicContact CD2-CD2 4.06Å; L628-F633 HydrophobicContact CD2-CE2 3.8Å
629	D	95.2	Very high	96.9	Very high	102 Å²	102	33 Å²	33	55%	0.545	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.7	169	-56.3	-36.3	0	0	0	111.8	H486 N627	H486-D629 IonicContact CD2-OD1 2.83Å; H486-D629 IonicContact CE1-OD1 3.37Å; H486-D629 IonicContact NE2-OD1 2.88Å; H486-D629 PolarHBondContact NE2-OD1 3.48Å; N627-D629 PolarHBondContact O-N 2.94Å; N627-D629 WeakPolarHBondContact OD1-CB 3.45Å; N627-D629 PolarHBondContact OD1-N 3.43Å
630	K	97.2	Very high	96.9	Very high	116 Å²	116	33 Å²	33	50%	0.504	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-24.9	179.1	-60.8	176.6	-171.3	154.6	0	113.5	D624 N627 L628 P641 I642	D624-K630 IonicContact OD1-NZ 2.72Å; N627-K630 HydrophobicContact CB-CB 4.37Å; N627-K630 HydrophobicContact CB-CD 4.07Å; N627-K630 HydrophobicContact CB-CG 4.27Å; N627-K630 PolarHBondContact O-N 3.02Å; L628-K630 VanDerWaalsContact C-N 3.34Å; K630-P641 WeakPolarHBondContact O-CA 3.34Å; K630-I642 PolarHBondContact O-N 3.24Å
631	Y	98.5	Very high	96.9	Very high	55 Å²	55	33.8 Å²	33.8	22%	0.216	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.7	-176.8	-66.9	-88.1	0	0	0	112.2	I626 N627 P639 L640	I626-Y631 HydrophobicContact CG2-CD2 4.19Å; I626-Y631 HydrophobicContact CG2-CG 4.13Å; N627-Y631 PolarHBondContact O-N 3.32Å; Y631-P639 HydrophobicContact CD1-CB 3.92Å; Y631-P639 HydrophobicContact CG-CB 4.26Å; Y631-L640 CarbonylContact C-O 3.57Å; Y631-L640 VanDerWaalsContact CA-O 3.32Å; Y631-L640 WeakPolarHBondContact CA-O 3.49Å
632	V	98.8	Very high	97.2	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.2	164.9	62.6	0	0	0	0	108.3	K419 I422 Q423 L640 I642	K419-V632 HydrophobicContact CB-CG2 3.66Å; K419-V632 HydrophobicContact CD-CG2 4.01Å; K419-V632 HydrophobicContact CG-CG2 3.65Å; I422-V632 HydrophobicContact CG2-CB 4.42Å; Q423-V632 HydrophobicContact CB-CG1 4.03Å; Q423-V632 HydrophobicContact CG-CG1 4.27Å; V632-L640 PolarHBondContact N-O 3.18Å; V632-L640 PolarHBondContact O-N 3.48Å; V632-I642 HydrophobicContact CB-CG1 4.34Å; V632-I642 HydrophobicContact CG1-CG1 4.41Å
633	F	98.9	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136	174.1	-70.9	-76.3	0	0	0	110	K419 F552 K613 Y614 L617 I626 L628 A637 H638 P639	K419-F633 WeakPolarHBondContact CD-O 3.33Å; K419-F633 VanDerWaalsContact CE-O 3.22Å; K419-F633 WeakPolarHBondContact CE-O 3.48Å; K419-F633 PolarHBondContact NZ-O 3.11Å; F552-F633 HydrophobicContact CE1-CD2 4.19Å; F552-F633 AromaticContact CE1-CE2 3.69Å; F552-F633 HydrophobicContact CE1-CE2 3.69Å; F552-F633 AromaticContact CZ-CE2 3.79Å; F552-F633 HydrophobicContact CZ-CE2 3.79Å; F552-F633 HydrophobicContact CZ-CZ 4.46Å; K613-F633 HydrophobicContact CD-CE1 4.3Å; Y614-F633 HydrophobicContact CE1-CD2 4.26Å; Y614-F633 HydrophobicContact CE1-CE2 4.39Å; Y614-F633 HydrophobicContact CE1-CG 4.37Å; L617-F633 HydrophobicContact CD1-CE1 4.17Å; L617-F633 HydrophobicContact CD1-CE2 4.35Å; L617-F633 HydrophobicContact CD1-CZ 3.52Å; I626-F633 HydrophobicContact CB-CZ 4.08Å; I626-F633 HydrophobicContact CG2-CE1 4.03Å; I626-F633 HydrophobicContact CG2-CE2 3.9Å; I626-F633 HydrophobicContact CG2-CZ 3.38Å; L628-F633 HydrophobicContact CD2-CD2 4.06Å; L628-F633 HydrophobicContact CD2-CE2 3.8Å; F633-A637 WeakPolarHBondContact CD1-O 3.39Å; F633-H638 WeakPolarHBondContact CA-O 3.47Å; F633-P639 HydrophobicContact CD1-CB 3.79Å; F633-P639 HydrophobicContact CD1-CG 4.31Å; F633-P639 HydrophobicContact CE1-CB 3.66Å; F633-P639 HydrophobicContact CE1-CG 3.94Å; F633-P639 HydrophobicContact CZ-CB 4.33Å
634	N	98.9	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.			trans	-69.4	-177.9	166.7	93.2	-32	0	0	0	111	I281 L351 E352 Y416 K419 E636 A637 H638 L640	I281-N634 PolarHBondContact O-ND2 3.21Å; L351-N634 HydrophobicContact CD1-CB 4.26Å; E352-N634 WeakPolarHBondContact OE1-CB 3.24Å; E352-N634 PolarHBondContact OE1-ND2 2.98Å; Y416-N634 VanDerWaalsContact OH-CB 3.31Å; Y416-N634 WeakPolarHBondContact OH-CB 3.31Å; K419-N634 PolarHBondContact NZ-O 3.49Å; N634-E636 PolarHBondContact O-N 2.93Å; N634-E636 VanDerWaalsContact OD1-C 3.29Å; N634-E636 WeakPolarHBondContact OD1-CA 3.31Å; N634-E636 PolarHBondContact OD1-N 3.44Å; N634-A637 PolarHBondContact O-N 2.98Å; N634-A637 PolarHBondContact OD1-N 3.41Å; N634-H638 PolarHBondContact N-O 3.36Å; N634-H638 VanDerWaalsContact OD1-CB 3.3Å; N634-H638 WeakPolarHBondContact OD1-CB 3.25Å; N634-H638 PolarHBondContact OD1-N 2.99Å; N634-L640 HydrophobicContact CB-CD1 4.49Å
635	T	98.7	Very high	95.4	Very high	26 Å²	26	32.7 Å²	32.7	16%	0.16	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	0.9	-179.1	-177	0	0	0	0	113.9	F277 I281 E415 Y416	F277-T635 HydrophobicContact CE2-CG2 4.04Å; F277-T635 HydrophobicContact CZ-CG2 4.39Å; I281-T635 HydrophobicContact CB-CG2 3.88Å; I281-T635 HydrophobicContact CD1-CG2 4.11Å; I281-T635 HydrophobicContact CG2-CG2 3.45Å; I281-T635 VanDerWaalsContact CG2-CG2 3.45Å; E415-T635 WeakPolarHBondContact OE1-CA 3.41Å; E415-T635 WeakPolarHBondContact OE1-CB 3.48Å; E415-T635 PolarHBondContact OE2-OG1 2.78Å; Y416-T635 HydrophobicContact CE2-CG2 3.91Å; Y416-T635 PolarHBondContact OH-N 3.48Å; Y416-T635 VanDerWaalsContact OH-N 3.09Å
636	E	98.9	Very high	93.5	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.019	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	33.8	173.4	-157.2	88.3	-161.7	0	0	110.3	I281 R282 F606 E610 N634 H638	I281-E636 HydrophobicContact CB-CB 4.11Å; I281-E636 WeakPolarHBondContact CD1-OE2 3.44Å; I281-E636 HydrophobicContact CG1-CB 4.12Å; I281-E636 WeakPolarHBondContact CG1-OE2 3.37Å; R282-E636 HydrophobicContact CG-CG 3.91Å; R282-E636 VanDerWaalsContact CZ-CD 3.49Å; R282-E636 IonicContact CZ-OE1 3.88Å; R282-E636 IonicContact CZ-OE2 2.88Å; R282-E636 VanDerWaalsContact CZ-OE2 3.31Å; R282-E636 IonicContact NE-OE1 3.69Å; R282-E636 IonicContact NE-OE2 3.35Å; R282-E636 IonicContact NH1-OE1 3.64Å; R282-E636 PolarHBondContact NH1-OE1 3.05Å; R282-E636 IonicContact NH1-OE2 3.61Å; R282-E636 IonicContact NH2-OE1 2.86Å; R282-E636 PolarHBondContact NH2-OE1 3.5Å; R282-E636 VanDerWaalsContact NH2-OE1 3.08Å; R282-E636 IonicContact NH2-OE2 2.77Å; R282-E636 PolarHBondContact NH2-OE2 3.44Å; F606-E636 WeakPolarHBondContact CB-OE1 3.47Å; E610-E636 VanDerWaalsContact CD-CA 3.48Å; E610-E636 HydrophobicContact CG-CG 4.18Å; E610-E636 WeakPolarHBondContact OE2-CA 3.41Å; N634-E636 PolarHBondContact O-N 2.93Å; N634-E636 VanDerWaalsContact OD1-C 3.29Å; N634-E636 WeakPolarHBondContact OD1-CA 3.31Å; N634-E636 PolarHBondContact OD1-N 3.44Å; E636-H638 PolarHBondContact O-CD2 3Å; E636-H638 VanDerWaalsContact O-CD2 3.25Å; E636-H638 PolarHBondContact O-N 3.02Å; E636-H638 VanDerWaalsContact O-N 3.07Å
637	A	98.9	Very high	90.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	53.9	25.6	179	0	0	0	0	0	116.6	E610 K613 Y614 F633 N634	E610-A637 HydrophobicContact CB-CB 3.8Å; E610-A637 HydrophobicContact CG-CB 3.66Å; E610-A637 PolarHBondContact OE2-N 3.45Å; K613-A637 HydrophobicContact CD-CB 3.95Å; K613-A637 WeakPolarHBondContact CD-O 3.44Å; K613-A637 WeakPolarHBondContact CE-O 3.49Å; K613-A637 PolarHBondContact NZ-O 3.24Å; Y614-A637 HydrophobicContact CD2-CB 4.09Å; Y614-A637 HydrophobicContact CE1-CB 4.31Å; Y614-A637 HydrophobicContact CE2-CB 3.35Å; Y614-A637 VanDerWaalsContact CZ-CB 3.49Å; F633-A637 WeakPolarHBondContact CD1-O 3.39Å; N634-A637 PolarHBondContact O-N 2.98Å; N634-A637 PolarHBondContact OD1-N 3.41Å
638	H	98.9	Very high	88.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.264	C	S	.	.			trans	-93.2	117.6	176.9	-61.3	-62.5	0	0	0	111.4	D241 D244 I281 R282 G286 S289 K613 F633 N634 E636 L640	D241-H638 PolarHBondContact O-CE1 3.21Å; D241-H638 IonicContact OD1-NE2 2.67Å; D241-H638 PolarHBondContact OD1-NE2 3.1Å; D244-H638 VanDerWaalsContact CG-ND1 3.3Å; D244-H638 IonicContact OD1-CE1 3.97Å; D244-H638 IonicContact OD1-ND1 3.7Å; D244-H638 PolarHBondContact OD1-ND1 3.47Å; D244-H638 WeakPolarHBondContact OD2-CA 3.37Å; D244-H638 IonicContact OD2-CE1 3.88Å; D244-H638 IonicContact OD2-CG 2.74Å; D244-H638 IonicContact OD2-ND1 3.81Å; D244-H638 PolarHBondContact OD2-ND1 3Å; I281-H638 PolarHBondContact O-CD2 3.11Å; R282-H638 PolarHBondContact O-NE2 2.92Å; G286-H638 VanDerWaalsContact CA-CE1 3.46Å; G286-H638 WeakPolarHBondContact CA-CE1 3.41Å; G286-H638 WeakPolarHBondContact CA-ND1 3.39Å; G286-H638 PolarHBondContact N-CD2 2.95Å; S289-H638 VanDerWaalsContact OG-C 3.22Å; S289-H638 VanDerWaalsContact OG-CB 3.28Å; S289-H638 WeakPolarHBondContact OG-CB 3.45Å; K613-H638 PolarHBondContact NZ-ND1 3.37Å; F633-H638 WeakPolarHBondContact CA-O 3.47Å; N634-H638 PolarHBondContact N-O 3.36Å; N634-H638 VanDerWaalsContact OD1-CB 3.3Å; N634-H638 WeakPolarHBondContact OD1-CB 3.25Å; N634-H638 PolarHBondContact OD1-N 2.99Å; E636-H638 PolarHBondContact O-CD2 3Å; E636-H638 VanDerWaalsContact O-CD2 3.25Å; E636-H638 PolarHBondContact O-N 3.02Å; E636-H638 VanDerWaalsContact O-N 3.07Å; H638-L640 PolarHBondContact O-N 3.14Å
639	P	98.9	Very high	85.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.7	-173.1	29.7	-33.2	0	0	0	113.5	D244 I248 S289 L293 I626 Y631 F633	D244-P639 VanDerWaalsContact OD2-CD 3.25Å; D244-P639 WeakPolarHBondContact OD2-CD 3.38Å; I248-P639 HydrophobicContact CD1-CG 4.39Å; S289-P639 PolarHBondContact OG-O 3.41Å; L293-P639 HydrophobicContact CD1-CG 4.22Å; I626-P639 HydrophobicContact CD1-CG 4.27Å; I626-P639 HydrophobicContact CG2-CB 3.81Å; I626-P639 HydrophobicContact CG2-CG 4.38Å; Y631-P639 HydrophobicContact CD1-CB 3.92Å; Y631-P639 HydrophobicContact CG-CB 4.26Å; F633-P639 HydrophobicContact CD1-CB 3.79Å; F633-P639 HydrophobicContact CD1-CG 4.31Å; F633-P639 HydrophobicContact CE1-CB 3.66Å; F633-P639 HydrophobicContact CE1-CG 3.94Å; F633-P639 HydrophobicContact CZ-CB 4.33Å
640	L	98.9	Very high	82.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.6	173.3	-59	176.4	0	0	0	110.8	L288 S289 L351 E352 E355 Y631 V632 N634 H638	L288-L640 HydrophobicContact CB-CD2 3.66Å; L288-L640 HydrophobicContact CD1-CD2 4.44Å; S289-L640 WeakPolarHBondContact OG-CD2 3.34Å; L351-L640 HydrophobicContact CB-CD1 3.9Å; E352-L640 HydrophobicContact CG-CD1 4.41Å; E355-L640 HydrophobicContact CG-CD2 4.38Å; Y631-L640 CarbonylContact C-O 3.57Å; Y631-L640 VanDerWaalsContact CA-O 3.32Å; Y631-L640 WeakPolarHBondContact CA-O 3.49Å; V632-L640 PolarHBondContact N-O 3.18Å; V632-L640 PolarHBondContact O-N 3.48Å; N634-L640 HydrophobicContact CB-CD1 4.49Å; H638-L640 PolarHBondContact O-N 3.14Å
641	P	98.5	Very high	80.2	Confident	19 Å²	19	62.7 Å²	62.7	12%	0.123	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.9	-176.8	29.7	-36.6	0	0	0	112.2	H292 K630	H292-P641 WeakPolarHBondContact CD2-CD 3.4Å; K630-P641 WeakPolarHBondContact O-CA 3.34Å
642	I	98.5	Very high	79.3	Confident	34 Å²	34	63.1 Å²	63.1	17%	0.174	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-72.6	132.8	165.2	-66.3	172.1	0	0	0	108.2	I422 K630 V632	I422-I642 HydrophobicContact CG2-CD1 3.52Å; I422-I642 HydrophobicContact CG2-CG1 3.93Å; I422-I642 WeakPolarHBondContact O-CG2 3.47Å; K630-I642 PolarHBondContact O-N 3.24Å; V632-I642 HydrophobicContact CB-CG1 4.34Å; V632-I642 HydrophobicContact CG1-CG1 4.41Å
643	W	95.7	Very high	78.3	Confident	45 Å²	45	66.2 Å²	66.2	17%	0.17	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-76.6	127.8	-178.1	-57.3	-10.1	0	0	0	109.8	R354 E355 R358 Q423	R354-W643 HydrophobicContact CB-CH2 3.86Å; R354-W643 HydrophobicContact CB-CZ2 3.86Å; R354-W643 HydrophobicContact CG-CH2 4.5Å; E355-W643 PolarHBondContact OE2-NE1 3.13Å; R358-W643 HydrophobicContact CB-CZ2 4.26Å; Q423-W643 VanDerWaalsContact O-CB 3.27Å; Q423-W643 WeakPolarHBondContact O-CB 3.29Å; Q423-W643 VanDerWaalsContact O-CG 3.32Å; Q423-W643 PolarHBondContact O-N 3.04Å
644	P	79.4	Confident	77.1	Confident	106 Å²	106	69.9 Å²	69.9	69%	0.688	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-61.4	145	178.3	25.7	-33.7	0	0	0	110	A646	P644-A646 PolarHBondContact O-N 3.36Å
645	P	65.3	Low	75.9	Confident	90 Å²	90	74 Å²	74	58%	0.584	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-59.9	117	170.1	24.6	-30.3	0	0	0	107.9	E647	P645-E647 PolarHBondContact O-N 2.7Å; P645-E647 VanDerWaalsContact O-N 3.16Å
646	A	54.7	Low	74.4	Confident	80 Å²	80	77 Å²	77	66%	0.661	44%	0.438	S	S	*	.			trans	-41.3	123	178.9	0	0	0	0	0	111.4	P644	P644-A646 PolarHBondContact O-N 3.36Å
647	E	42.8	Very low	72.8	Confident	177 Å²	177	81.9 Å²	81.9	83%	0.827	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-56.1	138.8	177.2	-68.3	-174.2	157.6	0	0	109.3	P645 Q649	P645-E647 PolarHBondContact O-N 2.7Å; P645-E647 VanDerWaalsContact O-N 3.16Å; E647-Q649 PolarHBondContact O-N 3.21Å; E647-Q649 VanDerWaalsContact O-N 3.09Å
648	P	41	Very low	70.9	Confident	121 Å²	121	87.7 Å²	87.7	79%	0.786	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-60.1	119.6	170.7	26.2	-32.2	0	0	0	107.7
649	Q	32.8	Very low	68.8	Low	180 Å²	180	94.5 Å²	94.5	84%	0.841	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-55.8	132.3	174	-70.8	-170.3	-9.4	0	0	108.6	E647 L651	E647-Q649 PolarHBondContact O-N 3.21Å; E647-Q649 VanDerWaalsContact O-N 3.09Å; Q649-L651 PolarHBondContact O-N 3.1Å
650	P	43.6	Very low	66.3	Low	128 Å²	128	102.3 Å²	102.3	83%	0.831	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-59.3	129.9	173.4	24.5	-32.2	0	0	0	109.1
651	L	44	Very low	63.3	Low	248 Å²	248	111.6 Å²	111.6	100%	1.298	64%	0.635	S	S	*	*			trans	-62.2	0	-178.4	-77.6	163.9	0	0	0	113.2	Q649	Q649-L651 PolarHBondContact O-N 3.1Å

Retrieved 651 of 651 residues in 1061.3 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).