A0A096N6M0_PAPAN Loading...

Complex I assembly factor ACAD9, mitochondrial

As part of the MCIA complex, primarily participates in the assembly of the mitochondrial complex I and therefore plays a role in oxidative phosphorylation. This moonlighting protein also has a dehydrogenase activity toward a broad range of substrates with greater specificity for long-chain unsaturated acyl-CoAs. However, in vivo, it does not seem to play a primary role in fatty acid oxidation. In addition, the function in complex I assembly is independent of the dehydrogenase activity of the protein.

AlphaFold DB , UniProt , Accession A0A096N6M0, Species PAPAN (Papio anubis, Olive baboon), Gene ACAD9, Length 621 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	30.6	Very low	243 Å²	243	172.4 Å²	172.4	100%	1.197	89%	0.888	S	S	*	*				0	141.3	0	-71.9	180	-175.5	0	0	107.4
2	S	25.3	Very low	30.6	Very low	114 Å²	114	166.8 Å²	166.8	80%	0.797	89%	0.886	S	S	*	*			trans	79	113.3	-166.3	-144.8	0	0	0	0	112.3
3	C	30.3	Very low	30.5	Very low	121 Å²	121	162.1 Å²	162.1	82%	0.818	89%	0.885	S	S	*	*				63.9	68.4	58.9	-151.6	0	0	0	0	112.7
4	C	31.4	Very low	30.4	Very low	122 Å²	122	157.5 Å²	157.5	82%	0.824	88%	0.88	S	S	*	*			trans	-179.9	103	155.8	-117.7	0	0	0	0	109.1
5	R	28.2	Very low	30.5	Very low	243 Å²	243	163.7 Å²	163.7	92%	0.917	89%	0.885	S	S	*	*			trans	160.5	103.4	157.2	-93.5	164	-172.7	-158.9	3.4	107.9
6	I	30.5	Very low	30.3	Very low	164 Å²	164	159.5 Å²	159.5	84%	0.841	88%	0.879	S	S	*	*			trans	169.5	78.7	145.1	-78.6	146.2	0	0	0	104.4
7	F	28.7	Very low	30.1	Very low	203 Å²	203	158.3 Å²	158.3	89%	0.89	88%	0.882	S	S	*	*			trans	-169	89.1	161.4	-108.3	-74.6	0	0	0	105.2
8	L	30.6	Very low	30	Very low	164 Å²	164	163.8 Å²	163.8	86%	0.859	89%	0.887	S	S	*	*			trans	166.2	78.6	165.5	-94.5	154.6	0	0	0	107.5
9	R	28.8	Very low	29.7	Very low	245 Å²	245	158.8 Å²	158.8	93%	0.925	88%	0.879	S	S	*	*			trans	-168.5	64.1	163.2	-110.6	-177.8	-166.9	-160.4	3.1	111.3
10	T	30.2	Very low	29.4	Very low	143 Å²	143	159.2 Å²	159.2	88%	0.877	88%	0.878	S	S	*	*	S	Bend	trans	-162.9	52.8	161.9	32.8	0	0	0	0	110.9
11	T	33.4	Very low	29.2	Very low	134 Å²	134	158.1 Å²	158.1	82%	0.822	88%	0.876	S	S	*	*			trans	-147.5	66.5	167.5	51.9	0	0	0	0	109.9
12	A	30.4	Very low	28.5	Very low	105 Å²	105	153 Å²	153	87%	0.868	86%	0.857	S	S	*	*			trans	-168.5	66.6	169	0	0	0	0	0	111.7
13	A	29.1	Very low	28.6	Very low	106 Å²	106	152.7 Å²	152.7	88%	0.876	86%	0.856	S	S	*	*	S	Bend	trans	-164.2	58.5	164.1	0	0	0	0	0	111.5
14	A	29.2	Very low	28.5	Very low	98 Å²	98	152.9 Å²	152.9	81%	0.81	85%	0.853	S	S	*	*	S	Bend	trans	-158.9	41.6	169.4	0	0	0	0	0	112.4
15	R	32.3	Very low	28.2	Very low	251 Å²	251	150.7 Å²	150.7	95%	0.947	85%	0.851	S	S	*	*			trans	-149	79.7	171.3	-88.1	-171	176.1	175.9	-0.5	110.2
16	A	27	Very low	28.1	Very low	96 Å²	96	147 Å²	147	79%	0.793	85%	0.85	S	S	*	*			trans	-170.2	92.9	158.7	0	0	0	0	0	109.2
17	C	27.4	Very low	27.9	Very low	139 Å²	139	150.3 Å²	150.3	94%	0.939	85%	0.852	S	S	*	*			trans	172.5	71.5	149.3	-95.8	0	0	0	0	108.5
18	R	27.8	Very low	28.3	Very low	257 Å²	257	153.1 Å²	153.1	97%	0.97	86%	0.856	S	S	*	*			trans	-120.1	117	160.1	-85.2	-172.9	177.2	-168.1	-0.7	106.6
19	G	24	Very low	28.1	Very low	70 Å²	70	153 Å²	153	72%	0.722	86%	0.856	S	S	*	*			trans	171.7	106.8	172.9	0	0	0	0	0	113.6
20	L	24.7	Very low	28.2	Very low	166 Å²	166	149.3 Å²	149.3	87%	0.869	85%	0.853	S	S	*	*			trans	77.2	95	146.5	-62.2	154.7	0	0	0	119.1
21	V	24.8	Very low	28.1	Very low	137 Å²	137	153.9 Å²	153.9	83%	0.83	85%	0.854	S	S	*	*				-145.1	106.1	120.5	-177.2	0	0	0	0	108.4
22	V	25.4	Very low	28.2	Very low	134 Å²	134	153.4 Å²	153.4	81%	0.812	85%	0.852	S	S	*	*			trans	-91.9	124.8	159.9	170.6	0	0	0	0	106.4
23	S	26.8	Very low	28.4	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	84%	0.843	S	S	*	*			trans	-134.7	126.5	166.7	176.6	0	0	0	0	109.2
24	T	27.3	Very low	29.1	Very low	125 Å²	125	152.6 Å²	152.6	77%	0.767	83%	0.831	S	S	*	*			trans	-84.1	139.3	-170.8	46.3	0	0	0	0	113.1
25	G	25.3	Very low	30.2	Very low	76 Å²	76	153.6 Å²	153.6	78%	0.784	83%	0.829	S	S	*	*			trans	84.8	113.9	132.3	0	0	0	0	0	120.7
26	N	26	Very low	31.6	Very low	164 Å²	164	147.5 Å²	147.5	88%	0.877	81%	0.814	S	S	*	*			trans	68.1	108.4	146.6	-84.7	-14.7	0	0	0	121.1
27	R	25.8	Very low	33.9	Very low	235 Å²	235	147.8 Å²	147.8	89%	0.887	80%	0.795	S	S	*	*				-175.9	133.1	104.1	-98.2	171.5	-179.2	-169.7	0.8	110.1	L29	R27-L29 PolarHBondContact O-N 3.13Å
28	R	38.1	Very low	36.5	Very low	262 Å²	262	141.6 Å²	141.6	99%	0.989	75%	0.754	S	S	*	*			trans	-53.8	105.3	167.8	-82.5	177	172.1	174.7	-3.1	109.2
29	L	26.2	Very low	39.6	Very low	162 Å²	162	129.4 Å²	129.4	85%	0.848	71%	0.708	S	S	*	*			trans	-85.6	122.1	164.8	-81.1	156.3	0	0	0	107.5	R27 R31	R27-L29 PolarHBondContact O-N 3.13Å; L29-R31 PolarHBondContact O-N 3.46Å
30	L	31	Very low	43	Very low	167 Å²	167	126 Å²	126	87%	0.874	67%	0.673	S	S	*	*			trans	-47.6	106.2	162.8	-81	146.2	0	0	0	107.6	T32	L30-T32 PolarHBondContact O-N 2.88Å
31	R	28.7	Very low	46.4	Very low	238 Å²	238	119.2 Å²	119.2	90%	0.898	64%	0.636	S	S	*	*			trans	-72.7	81.6	176.9	-150.7	-179.7	-170.5	-172.4	2.7	106.3	L29 S33	L29-R31 PolarHBondContact O-N 3.46Å; R31-S33 VanDerWaalsContact C-N 3.31Å; R31-S33 PolarHBondContact O-N 3.1Å
32	T	34.6	Very low	49.7	Very low	124 Å²	124	113.9 Å²	113.9	76%	0.761	60%	0.602	S	S	*	*			trans	-64.4	104	159.2	46.2	0	0	0	0	104.8	L30	L30-T32 PolarHBondContact O-N 2.88Å
33	S	34.4	Very low	53.1	Low	99 Å²	99	107.5 Å²	107.5	69%	0.692	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-49.4	131.4	172.6	-59.2	0	0	0	0	107.8	R31	R31-S33 VanDerWaalsContact C-N 3.31Å; R31-S33 PolarHBondContact O-N 3.1Å
34	P	43.6	Very low	56.5	Low	95 Å²	95	102.4 Å²	102.4	62%	0.617	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-52.5	142.8	175.6	10.3	-16.9	0	0	0	109.1	I36	P34-I36 PolarHBondContact O-N 3.35Å
35	P	53.1	Low	59.7	Low	120 Å²	120	98.2 Å²	98.2	78%	0.779	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-55.8	129	179.2	21.8	-30.6	0	0	0	109.1	R37	P35-R37 PolarHBondContact O-N 3.5Å; P35-R37 VanDerWaalsContact O-N 3.11Å
36	I	62.6	Low	63.1	Low	123 Å²	123	95.1 Å²	95.1	63%	0.631	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-59	117.4	177.9	-61.9	171.6	0	0	0	107.4	P34 A38 D374	P34-I36 PolarHBondContact O-N 3.35Å; I36-A38 PolarHBondContact O-N 2.95Å; I36-D374 HydrophobicContact CG2-CB 3.58Å
37	R	74.4	Confident	66.4	Low	102 Å²	102	90.9 Å²	90.9	39%	0.385	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-67.3	121.4	172.9	-62.3	-177.4	-173.4	-176.5	4.2	107.6	P35 Q369 P373 D374	P35-R37 PolarHBondContact O-N 3.5Å; P35-R37 VanDerWaalsContact O-N 3.11Å; R37-Q369 VanDerWaalsContact NH1-CG 3.34Å; R37-Q369 VanDerWaalsContact NH1-OE1 3.14Å; R37-P373 HydrophobicContact CB-CB 4.21Å; R37-D374 PolarHBondContact O-N 3.37Å
38	A	82.2	Confident	69.7	Low	9 Å²	9	80.6 Å²	80.6	7%	0.074	41%	0.405	C	S	.	.			trans	-150.5	55.7	-170	0	0	0	0	0	110.1	I36 A40 K41 E42 E52	I36-A38 PolarHBondContact O-N 2.95Å; A38-A40 PolarHBondContact O-N 3.26Å; A38-K41 HydrophobicContact CB-CB 4.19Å; A38-K41 HydrophobicContact CB-CD 4.08Å; A38-K41 HydrophobicContact CB-CG 4.33Å; A38-K41 WeakPolarHBondContact O-CB 3.16Å; A38-K41 PolarHBondContact O-N 2.83Å; A38-K41 VanDerWaalsContact O-N 3.08Å; A38-E42 PolarHBondContact O-N 3.32Å; A38-E52 PolarHBondContact N-OE2 3.28Å
39	F	93.3	Very high	72.3	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-49.7	-54.1	-171.9	174.1	-96.4	0	0	0	113.1	K41 E42 L43 I48 K49 E52 V53 M366 Y541 T544	F39-K41 PolarHBondContact O-N 2.99Å; F39-E42 PolarHBondContact O-N 3.13Å; F39-L43 HydrophobicContact CE1-CD1 3.86Å; F39-L43 HydrophobicContact CE1-CD2 4.45Å; F39-L43 HydrophobicContact CE1-CG 4.25Å; F39-L43 HydrophobicContact CZ-CD1 4.32Å; F39-L43 HydrophobicContact CZ-CD2 4.1Å; F39-L43 HydrophobicContact CZ-CG 4.37Å; F39-L43 PolarHBondContact O-N 3.47Å; F39-I48 HydrophobicContact CE2-CG2 4.21Å; F39-K49 HydrophobicContact CD2-CB 4.09Å; F39-E52 HydrophobicContact CB-CB 4.43Å; F39-E52 HydrophobicContact CD2-CB 4.42Å; F39-E52 PolarHBondContact N-OE2 3.39Å; F39-V53 HydrophobicContact CB-CG1 4.28Å; F39-V53 HydrophobicContact CD1-CG1 3.87Å; F39-V53 HydrophobicContact CD2-CB 4.44Å; F39-V53 HydrophobicContact CD2-CG1 3.59Å; F39-V53 HydrophobicContact CD2-CG2 3.91Å; F39-V53 HydrophobicContact CE1-CG1 4.11Å; F39-V53 HydrophobicContact CE2-CB 4.33Å; F39-V53 HydrophobicContact CE2-CG1 3.86Å; F39-V53 HydrophobicContact CE2-CG2 3.44Å; F39-V53 VanDerWaalsContact CE2-CG2 3.44Å; F39-V53 HydrophobicContact CG-CG1 3.62Å; F39-V53 HydrophobicContact CZ-CG1 4.12Å; F39-V53 HydrophobicContact CZ-CG2 3.87Å; F39-M366 HydrophobicContact CB-CE 3.91Å; F39-Y541 HydrophobicContact CD1-CD2 4.18Å; F39-Y541 HydrophobicContact CD1-CE2 4.2Å; F39-Y541 HydrophobicContact CE1-CD2 4.07Å; F39-Y541 HydrophobicContact CE1-CE2 4.4Å; F39-T544 HydrophobicContact CE1-CG2 3.67Å; F39-T544 HydrophobicContact CE2-CG2 4.37Å; F39-T544 HydrophobicContact CZ-CG2 3.47Å; F39-T544 VanDerWaalsContact CZ-CG2 3.47Å
40	A	95.3	Very high	75.5	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.5	-31.7	-177.1	0	0	0	0	0	112.5	A38 E42 L43 I377 E378 M381	A38-A40 PolarHBondContact O-N 3.26Å; A40-E42 VanDerWaalsContact C-N 3.33Å; A40-E42 PolarHBondContact O-N 2.83Å; A40-L43 WeakPolarHBondContact O-CB 3.44Å; A40-L43 PolarHBondContact O-N 3.23Å; A40-I377 HydrophobicContact CB-CB 4.22Å; A40-I377 HydrophobicContact CB-CG2 4.04Å; A40-E378 VanDerWaalsContact CB-CD 3.45Å; A40-E378 HydrophobicContact CB-CG 4.05Å; A40-E378 WeakPolarHBondContact CB-OE1 3.25Å; A40-E378 PolarHBondContact N-OE1 2.92Å; A40-M381 HydrophobicContact CB-CE 3.67Å
41	K	95.1	Very high	78.4	Confident	22 Å²	22	68.5 Å²	68.5	10%	0.096	35%	0.346	C	S	.	.	H	α-helix	trans	-69.5	-31.4	177.3	-63.3	-175.1	-175.5	-179.3	0	112.2	A38 F39 L43 F44 D374 I377 H443	A38-K41 HydrophobicContact CB-CB 4.19Å; A38-K41 HydrophobicContact CB-CD 4.08Å; A38-K41 HydrophobicContact CB-CG 4.33Å; A38-K41 WeakPolarHBondContact O-CB 3.16Å; A38-K41 PolarHBondContact O-N 2.83Å; A38-K41 VanDerWaalsContact O-N 3.08Å; F39-K41 PolarHBondContact O-N 2.99Å; K41-L43 VanDerWaalsContact C-N 3.3Å; K41-L43 PolarHBondContact O-N 3.32Å; K41-F44 WeakPolarHBondContact O-CB 3.42Å; K41-F44 PolarHBondContact O-N 3.28Å; K41-D374 WeakPolarHBondContact CE-OD2 3.24Å; K41-D374 IonicContact NZ-OD1 3.43Å; K41-D374 IonicContact NZ-OD2 3.31Å; K41-D374 PolarHBondContact NZ-OD2 2.98Å; K41-I377 HydrophobicContact CD-CD1 4.36Å; K41-I377 HydrophobicContact CG-CD1 3.67Å; K41-H443 HydrophobicContact CB-CB 4.16Å; K41-H443 HydrophobicContact CD-CB 4.15Å; K41-H443 HydrophobicContact CG-CB 4.41Å; K41-H443 PolarHBondContact O-CD2 2.87Å
42	E	95.3	Very high	81.3	Confident	25 Å²	25	59.6 Å²	59.6	12%	0.117	32%	0.315	C	S	.	.	H	α-helix	trans	-72.3	-23.9	177.3	-67.4	-69.9	118.1	0	0	112.6	A38 F39 A40 F44 L45 K47 K49 H443	A38-E42 PolarHBondContact O-N 3.32Å; F39-E42 PolarHBondContact O-N 3.13Å; A40-E42 VanDerWaalsContact C-N 3.33Å; A40-E42 PolarHBondContact O-N 2.83Å; E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 PolarHBondContact O-N 3.09Å; E42-L45 WeakPolarHBondContact O-CA 3.4Å; E42-L45 WeakPolarHBondContact O-CB 3.38Å; E42-L45 PolarHBondContact O-N 2.93Å; E42-L45 WeakPolarHBondContact OE1-CD1 3.37Å; E42-K47 CarbonylContact C-O 3.55Å; E42-K47 HydrophobicContact CB-CB 4.47Å; E42-K47 PolarHBondContact O-N 2.98Å; E42-K49 HydrophobicContact CB-CG 3.87Å; E42-K49 HydrophobicContact CG-CD 4.38Å; E42-K49 HydrophobicContact CG-CG 3.76Å; E42-K49 WeakPolarHBondContact OE2-CE 3.44Å; E42-K49 IonicContact OE2-NZ 3.71Å; E42-K49 PolarHBondContact OE2-NZ 2.86Å; E42-H443 IonicContact OE1-CE1 2.95Å; E42-H443 IonicContact OE1-NE2 3.15Å; E42-H443 PolarHBondContact OE1-NE2 2.85Å
43	L	97.1	Very high	84.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-32.6	172.9	-63.2	176.2	0	0	0	112.2	F39 A40 K41 L45 G46 I48 F501 T505 F508 L537 L540	F39-L43 HydrophobicContact CE1-CD1 3.86Å; F39-L43 HydrophobicContact CE1-CD2 4.45Å; F39-L43 HydrophobicContact CE1-CG 4.25Å; F39-L43 HydrophobicContact CZ-CD1 4.32Å; F39-L43 HydrophobicContact CZ-CD2 4.1Å; F39-L43 HydrophobicContact CZ-CG 4.37Å; F39-L43 PolarHBondContact O-N 3.47Å; A40-L43 WeakPolarHBondContact O-CB 3.44Å; A40-L43 PolarHBondContact O-N 3.23Å; K41-L43 VanDerWaalsContact C-N 3.3Å; K41-L43 PolarHBondContact O-N 3.32Å; L43-L45 PolarHBondContact O-N 3.39Å; L43-L45 VanDerWaalsContact O-N 3.15Å; L43-G46 PolarHBondContact O-N 3.1Å; L43-I48 HydrophobicContact CD2-CG1 4.21Å; L43-F501 HydrophobicContact CD2-CE2 4.5Å; L43-F501 HydrophobicContact CD2-CZ 4.19Å; L43-T505 HydrophobicContact CD2-CG2 3.74Å; L43-F508 WeakPolarHBondContact O-CD1 3.4Å; L43-L537 HydrophobicContact CB-CD1 3.83Å; L43-L537 HydrophobicContact CD1-CD1 3.95Å; L43-L540 HydrophobicContact CD1-CB 4.11Å
44	F	97.2	Very high	87	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.7	172.7	-76.8	-100.4	0	0	0	113.3	K41 E42 G46 G440 L441 A444 F508 V512 V533 L537	K41-F44 WeakPolarHBondContact O-CB 3.42Å; K41-F44 PolarHBondContact O-N 3.28Å; E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 PolarHBondContact O-N 3.09Å; F44-G46 VanDerWaalsContact C-N 3.35Å; F44-G440 VanDerWaalsContact CE2-CA 3.44Å; F44-L441 HydrophobicContact CD1-CD2 4.4Å; F44-L441 HydrophobicContact CD1-CG 4.39Å; F44-L441 HydrophobicContact CE1-CD2 4.45Å; F44-L441 HydrophobicContact CE1-CG 4.07Å; F44-A444 HydrophobicContact CB-CB 4.05Å; F44-F508 HydrophobicContact CB-CE1 4.47Å; F44-F508 HydrophobicContact CD1-CE1 4.02Å; F44-F508 AromaticContact CD1-CZ 3.93Å; F44-F508 HydrophobicContact CD1-CZ 3.93Å; F44-F508 HydrophobicContact CD2-CE1 4.18Å; F44-F508 HydrophobicContact CE1-CE1 4.26Å; F44-F508 AromaticContact CE1-CZ 3.79Å; F44-F508 HydrophobicContact CE1-CZ 3.79Å; F44-F508 HydrophobicContact CE2-CE1 4.42Å; F44-F508 HydrophobicContact CE2-CZ 4.45Å; F44-F508 AromaticContact CG-CE1 3.96Å; F44-F508 HydrophobicContact CG-CE1 3.96Å; F44-F508 HydrophobicContact CG-CZ 4.32Å; F44-F508 HydrophobicContact CZ-CE1 4.45Å; F44-F508 HydrophobicContact CZ-CZ 4.06Å; F44-V512 HydrophobicContact CB-CG1 4.32Å; F44-V512 HydrophobicContact CB-CG2 4.49Å; F44-V512 HydrophobicContact CD1-CG1 4.16Å; F44-V512 HydrophobicContact CD1-CG2 3.64Å; F44-V512 HydrophobicContact CE1-CG2 4.34Å; F44-V512 HydrophobicContact CG-CG2 4.43Å; F44-V512 WeakPolarHBondContact O-CG1 3.47Å; F44-V533 HydrophobicContact CE1-CG1 3.7Å; F44-V533 HydrophobicContact CZ-CG1 4.23Å; F44-L537 HydrophobicContact CD2-CD1 4.06Å; F44-L537 HydrophobicContact CD2-CD2 4.41Å; F44-L537 HydrophobicContact CE2-CD1 3.71Å; F44-L537 HydrophobicContact CE2-CD2 3.37Å; F44-L537 HydrophobicContact CE2-CG 4.08Å; F44-L537 HydrophobicContact CZ-CD1 4.42Å; F44-L537 HydrophobicContact CZ-CD2 3.86Å
45	L	95.2	Very high	89.5	Confident	37 Å²	37	50 Å²	50	19%	0.194	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5	175	-56.6	172.7	0	0	0	112.3	E42 L43 K47 A444 I447	E42-L45 WeakPolarHBondContact O-CA 3.4Å; E42-L45 WeakPolarHBondContact O-CB 3.38Å; E42-L45 PolarHBondContact O-N 2.93Å; E42-L45 WeakPolarHBondContact OE1-CD1 3.37Å; L43-L45 PolarHBondContact O-N 3.39Å; L43-L45 VanDerWaalsContact O-N 3.15Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 HydrophobicContact CB-CD 4.16Å; L45-K47 HydrophobicContact CB-CG 4.17Å; L45-K47 HydrophobicContact CD1-CD 4.5Å; L45-A444 HydrophobicContact CD2-CB 3.96Å; L45-I447 HydrophobicContact CD1-CD1 3.51Å; L45-I447 HydrophobicContact CD2-CB 4.34Å; L45-I447 HydrophobicContact CD2-CD1 4.22Å; L45-I447 HydrophobicContact CD2-CG2 4.26Å; L45-I447 HydrophobicContact CG-CD1 4.42Å
46	G	95.8	Very high	91.6	Very high	12 Å²	12	45 Å²	45	12%	0.124	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	31.9	-172.7	0	0	0	0	0	113.2	L43 F44 T505	L43-G46 PolarHBondContact O-N 3.1Å; F44-G46 VanDerWaalsContact C-N 3.35Å; G46-T505 WeakPolarHBondContact CA-O 3.49Å
47	K	94.9	Very high	93.1	Very high	74 Å²	74	40.9 Å²	40.9	32%	0.322	20%	0.197	S	C	.	.			trans	-121.4	139.5	-176.7	-64.3	178.8	-178.1	176.9	0	111.7	E42 L45	E42-K47 CarbonylContact C-O 3.55Å; E42-K47 HydrophobicContact CB-CB 4.47Å; E42-K47 PolarHBondContact O-N 2.98Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 HydrophobicContact CB-CD 4.16Å; L45-K47 HydrophobicContact CB-CG 4.17Å; L45-K47 HydrophobicContact CD1-CD 4.5Å
48	I	95.4	Very high	93.9	Very high	20 Å²	20	41.9 Å²	41.9	10%	0.103	21%	0.206	C	C	.	.			trans	-108.6	110.1	174.5	-57.1	170.5	0	0	0	109.2	F39 L43 K50 L481 L483 F501 E502 T505	F39-I48 HydrophobicContact CE2-CG2 4.21Å; L43-I48 HydrophobicContact CD2-CG1 4.21Å; I48-K50 PolarHBondContact O-N 2.52Å; I48-L481 HydrophobicContact CD1-CB 4.05Å; I48-L481 HydrophobicContact CD1-CD1 3.63Å; I48-L481 HydrophobicContact CD1-CG 4.48Å; I48-L481 HydrophobicContact CG1-CD1 3.99Å; I48-L483 HydrophobicContact CD1-CD1 3.93Å; I48-L483 HydrophobicContact CD1-CG 4.31Å; I48-L483 HydrophobicContact CG2-CD2 4.06Å; I48-F501 HydrophobicContact CD1-CD1 3.96Å; I48-F501 HydrophobicContact CD1-CE1 3.51Å; I48-F501 HydrophobicContact CD1-CZ 3.91Å; I48-F501 HydrophobicContact CG1-CE1 4.1Å; I48-F501 HydrophobicContact CG1-CZ 4.11Å; I48-F501 HydrophobicContact CG2-CE1 4.15Å; I48-E502 HydrophobicContact CD1-CG 4.02Å; I48-T505 HydrophobicContact CD1-CG2 4.32Å; I48-T505 HydrophobicContact CG1-CG2 3.84Å
49	K	93.8	Very high	94.3	Very high	81 Å²	81	43.7 Å²	43.7	35%	0.352	22%	0.216	S	C	.	.			trans	-81.1	69.9	174.3	-62.1	-65.3	-175.6	170.5	0	110.6	F39 E42 K51 E52	F39-K49 HydrophobicContact CD2-CB 4.09Å; E42-K49 HydrophobicContact CB-CG 3.87Å; E42-K49 HydrophobicContact CG-CD 4.38Å; E42-K49 HydrophobicContact CG-CG 3.76Å; E42-K49 WeakPolarHBondContact OE2-CE 3.44Å; E42-K49 IonicContact OE2-NZ 3.71Å; E42-K49 PolarHBondContact OE2-NZ 2.86Å; K49-K51 PolarHBondContact O-N 2.79Å; K49-E52 HydrophobicContact CB-CB 4.41Å; K49-E52 HydrophobicContact CB-CG 4.09Å; K49-E52 WeakPolarHBondContact CB-OE1 3.3Å; K49-E52 WeakPolarHBondContact O-CB 3.44Å; K49-E52 PolarHBondContact O-N 3.47Å
50	K	92.8	Very high	94.2	Very high	61 Å²	61	46.3 Å²	46.3	27%	0.265	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-52	-32.5	-170.8	62.7	-177.9	179.6	175.9	0	115.4	I48 E52 V53 F54 G482 L483 H487 V489	I48-K50 PolarHBondContact O-N 2.52Å; K50-E52 PolarHBondContact O-N 2.85Å; K50-V53 PolarHBondContact O-N 3.01Å; K50-F54 HydrophobicContact CB-CD2 4.17Å; K50-F54 WeakPolarHBondContact O-CB 3.34Å; K50-F54 PolarHBondContact O-N 2.92Å; K50-G482 PolarHBondContact NZ-O 3.17Å; K50-L483 HydrophobicContact CB-CD2 4.08Å; K50-H487 PolarHBondContact NZ-O 3.06Å; K50-V489 HydrophobicContact CB-CG2 3.99Å; K50-V489 HydrophobicContact CD-CG1 3.86Å; K50-V489 HydrophobicContact CD-CG2 4.06Å; K50-V489 HydrophobicContact CG-CG1 4.41Å
51	K	91.3	Very high	93.9	Very high	195 Å²	195	51.8 Å²	51.8	85%	0.848	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-67.1	-18.2	177.5	-65.7	-173.9	177.9	-175.8	0	114.5	K49	K49-K51 PolarHBondContact O-N 2.79Å
52	E	90.1	Very high	93.7	Very high	51 Å²	51	56.1 Å²	56.1	24%	0.238	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-84.9	-18.2	179.7	-65.9	-179.7	-144.2	0	0	112.4	A38 F39 K49 K50	A38-E52 PolarHBondContact N-OE2 3.28Å; F39-E52 HydrophobicContact CB-CB 4.43Å; F39-E52 HydrophobicContact CD2-CB 4.42Å; F39-E52 PolarHBondContact N-OE2 3.39Å; K49-E52 HydrophobicContact CB-CB 4.41Å; K49-E52 HydrophobicContact CB-CG 4.09Å; K49-E52 WeakPolarHBondContact CB-OE1 3.3Å; K49-E52 WeakPolarHBondContact O-CB 3.44Å; K49-E52 PolarHBondContact O-N 3.47Å; K50-E52 PolarHBondContact O-N 2.85Å
53	V	94.3	Very high	93.4	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-6.9	-170.6	-64.1	0	0	0	0	113.9	F39 K50 L362 M366 T544 S548	F39-V53 HydrophobicContact CB-CG1 4.28Å; F39-V53 HydrophobicContact CD1-CG1 3.87Å; F39-V53 HydrophobicContact CD2-CB 4.44Å; F39-V53 HydrophobicContact CD2-CG1 3.59Å; F39-V53 HydrophobicContact CD2-CG2 3.91Å; F39-V53 HydrophobicContact CE1-CG1 4.11Å; F39-V53 HydrophobicContact CE2-CB 4.33Å; F39-V53 HydrophobicContact CE2-CG1 3.86Å; F39-V53 HydrophobicContact CE2-CG2 3.44Å; F39-V53 VanDerWaalsContact CE2-CG2 3.44Å; F39-V53 HydrophobicContact CG-CG1 3.62Å; F39-V53 HydrophobicContact CZ-CG1 4.12Å; F39-V53 HydrophobicContact CZ-CG2 3.87Å; K50-V53 PolarHBondContact O-N 3.01Å; V53-L362 HydrophobicContact CB-CD1 4.16Å; V53-L362 HydrophobicContact CB-CD2 4.3Å; V53-L362 HydrophobicContact CG1-CD1 4.22Å; V53-L362 HydrophobicContact CG1-CD2 4.12Å; V53-M366 HydrophobicContact CG1-SD 4.31Å; V53-T544 HydrophobicContact CB-CG2 3.85Å; V53-T544 HydrophobicContact CG1-CG2 4.11Å; V53-T544 HydrophobicContact CG2-CG2 3.63Å; V53-S548 VanDerWaalsContact O-CB 3.3Å; V53-S548 WeakPolarHBondContact O-CB 3.24Å; V53-S548 PolarHBondContact O-OG 3.08Å
54	F	95.1	Very high	93	Very high	14 Å²	14	61.3 Å²	61.3	6%	0.061	31%	0.311	C	S	.	.	S	Bend	trans	-128.1	135.3	172.9	-63	-92.9	0	0	0	111.1	K50 L483 V489 V490 L547	K50-F54 HydrophobicContact CB-CD2 4.17Å; K50-F54 WeakPolarHBondContact O-CB 3.34Å; K50-F54 PolarHBondContact O-N 2.92Å; F54-L483 HydrophobicContact CD2-CD2 4.49Å; F54-L483 HydrophobicContact CE2-CD2 4Å; F54-L483 HydrophobicContact CZ-CD2 4.47Å; F54-V489 HydrophobicContact CB-CB 3.86Å; F54-V489 HydrophobicContact CB-CG1 4.42Å; F54-V489 HydrophobicContact CB-CG2 3.87Å; F54-V489 HydrophobicContact CD1-CB 4.31Å; F54-V489 HydrophobicContact CD1-CG2 3.94Å; F54-V489 HydrophobicContact CD2-CG2 3.68Å; F54-V489 HydrophobicContact CE1-CG2 4.38Å; F54-V489 HydrophobicContact CE2-CG2 4.21Å; F54-V489 HydrophobicContact CG-CB 4.03Å; F54-V489 HydrophobicContact CG-CG2 3.57Å; F54-V490 HydrophobicContact CE1-CG2 3.72Å; F54-V490 HydrophobicContact CZ-CG2 3.9Å; F54-L547 HydrophobicContact CE1-CB 4.37Å; F54-L547 HydrophobicContact CZ-CB 4.21Å
55	P	95.1	Very high	92.7	Very high	100 Å²	100	64.7 Å²	64.7	65%	0.649	33%	0.329	S	S	*	.	S	Bend	cis	-64.2	166.8	-7.3	30.8	-36.2	0	0	0	112
56	F	97	Very high	92.4	Very high	17 Å²	17	69.1 Å²	69.1	8%	0.075	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-57	136.5	173.5	-164.3	-93.9	0	0	0	109.3	S358 L362 S548 R549 R552	F56-S358 WeakPolarHBondContact CE2-O 3.42Å; F56-S358 WeakPolarHBondContact CZ-O 3.44Å; F56-L362 HydrophobicContact CE2-CB 3.87Å; F56-L362 HydrophobicContact CZ-CB 4.3Å; F56-S548 WeakPolarHBondContact CA-OG 3.15Å; F56-S548 WeakPolarHBondContact CB-OG 3.24Å; F56-S548 PolarHBondContact N-OG 2.76Å; F56-S548 VanDerWaalsContact N-OG 3.1Å; F56-R549 HydrophobicContact CD2-CB 3.66Å; F56-R549 HydrophobicContact CD2-CG 4.45Å; F56-R549 HydrophobicContact CE2-CB 3.77Å; F56-R549 HydrophobicContact CE2-CG 4.41Å; F56-R549 HydrophobicContact CG-CB 4.13Å; F56-R549 HydrophobicContact CZ-CB 4.34Å; F56-R552 HydrophobicContact CB-CB 3.98Å; F56-R552 HydrophobicContact CB-CG 4.3Å
57	P	93.8	Very high	92.2	Very high	35 Å²	35	68.9 Å²	68.9	23%	0.227	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-57.1	141.7	-175.9	-25.6	33.9	0	0	0	112.8	L362	P57-L362 HydrophobicContact CG-CD1 3.87Å
58	E	91.4	Very high	92	Very high	123 Å²	123	69.2 Å²	69.2	58%	0.575	35%	0.35	S	S	*	.			trans	-127.4	149.8	175.3	-64.5	-174	150.7	0	0	109.2	R552	E58-R552 IonicContact OE1-CZ 3.94Å; E58-R552 IonicContact OE1-NE 2.86Å; E58-R552 PolarHBondContact OE1-NE 3.05Å; E58-R552 IonicContact OE1-NH2 2.67Å; E58-R552 PolarHBondContact OE1-NH2 2.96Å
59	V	90.8	Very high	91.7	Very high	47 Å²	47	75.8 Å²	75.8	29%	0.285	38%	0.38	S	S	.	.			trans	-96.4	163	171.9	-64.5	0	0	0	0	109.8	E63 L64 T123 M124	V59-E63 HydrophobicContact CB-CB 4.35Å; V59-L64 HydrophobicContact CG2-CB 4.33Å; V59-T123 HydrophobicContact CG1-CG2 3.64Å; V59-M124 HydrophobicContact CB-CE 3.85Å; V59-M124 HydrophobicContact CG1-CE 3.54Å; V59-M124 HydrophobicContact CG2-CE 3.59Å
60	S	90.6	Very high	91.4	Very high	55 Å²	55	74.2 Å²	74.2	39%	0.385	37%	0.373	S	S	.	.			trans	-64.2	155.7	175.6	66.3	0	0	0	0	111.6	D62 E63 L64	S60-D62 PolarHBondContact O-N 2.91Å; S60-E63 WeakPolarHBondContact CB-OE2 3.33Å; S60-E63 PolarHBondContact N-OE2 3.36Å; S60-E63 VanDerWaalsContact N-OE2 3.13Å; S60-E63 PolarHBondContact O-N 3.28Å; S60-E63 WeakPolarHBondContact OG-CB 3.38Å; S60-E63 VanDerWaalsContact OG-CG 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.44Å; S60-E63 PolarHBondContact OG-N 2.83Å; S60-E63 PolarHBondContact OG-OE2 2.8Å; S60-L64 PolarHBondContact O-N 3.48Å
61	Q	90.4	Very high	91.5	Very high	116 Å²	116	71.7 Å²	71.7	54%	0.542	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-31.9	176.7	-174.5	60.5	53.9	0	0	111.8	L64 N65	Q61-L64 PolarHBondContact O-N 3.32Å; Q61-N65 PolarHBondContact NE2-OD1 3.38Å; Q61-N65 WeakPolarHBondContact O-CB 3.46Å; Q61-N65 PolarHBondContact O-N 2.92Å; Q61-N65 PolarHBondContact O-ND2 3.32Å; Q61-N65 PolarHBondContact O-OD1 2.77Å
62	D	90.1	Very high	91.6	Very high	113 Å²	113	64.3 Å²	64.3	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-67.2	-50.1	177.7	-64.6	-25.8	0	0	0	110.7	S60 L64 N65 E66	S60-D62 PolarHBondContact O-N 2.91Å; D62-L64 PolarHBondContact O-N 2.94Å; D62-N65 PolarHBondContact O-N 3.27Å; D62-E66 WeakPolarHBondContact O-CG 3.41Å; D62-E66 PolarHBondContact O-N 2.74Å
63	E	88.9	Confident	91.8	Very high	66 Å²	66	65.2 Å²	65.2	31%	0.308	35%	0.352	S	S	.	.	H	α-helix	trans	-56.2	-40.3	173.3	-76.1	172	96.3	0	0	112	V59 S60 E66 I67	V59-E63 HydrophobicContact CB-CB 4.35Å; S60-E63 WeakPolarHBondContact CB-OE2 3.33Å; S60-E63 PolarHBondContact N-OE2 3.36Å; S60-E63 VanDerWaalsContact N-OE2 3.13Å; S60-E63 PolarHBondContact O-N 3.28Å; S60-E63 WeakPolarHBondContact OG-CB 3.38Å; S60-E63 VanDerWaalsContact OG-CG 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.44Å; S60-E63 PolarHBondContact OG-N 2.83Å; S60-E63 PolarHBondContact OG-OE2 2.8Å; E63-E66 PolarHBondContact O-N 3.3Å; E63-I67 WeakPolarHBondContact O-CG2 3.41Å; E63-I67 PolarHBondContact O-N 3.46Å
64	L	89.9	Confident	91.9	Very high	67 Å²	67	65.2 Å²	65.2	35%	0.351	35%	0.352	S	S	.	.	H	α-helix	trans	-65.3	-39.8	177.6	-175.8	63.3	0	0	0	112.1	V59 S60 Q61 D62 I67 N68	V59-L64 HydrophobicContact CG2-CB 4.33Å; S60-L64 PolarHBondContact O-N 3.48Å; Q61-L64 PolarHBondContact O-N 3.32Å; D62-L64 PolarHBondContact O-N 2.94Å; L64-I67 HydrophobicContact CD1-CG2 4.4Å; L64-I67 WeakPolarHBondContact O-CG2 3.28Å; L64-N68 WeakPolarHBondContact O-CB 3.44Å; L64-N68 PolarHBondContact O-N 3.07Å; L64-N68 PolarHBondContact O-ND2 3.48Å
65	N	91	Very high	92	Very high	73 Å²	73	69 Å²	69	39%	0.39	37%	0.37	S	S	.	.	H	α-helix	trans	-67.8	-42.8	177.5	-69.6	-22.1	0	0	0	111.2	Q61 D62 N68 Q69	Q61-N65 PolarHBondContact NE2-OD1 3.38Å; Q61-N65 WeakPolarHBondContact O-CB 3.46Å; Q61-N65 PolarHBondContact O-N 2.92Å; Q61-N65 PolarHBondContact O-ND2 3.32Å; Q61-N65 PolarHBondContact O-OD1 2.77Å; D62-N65 PolarHBondContact O-N 3.27Å; N65-N68 PolarHBondContact O-N 3.03Å; N65-Q69 WeakPolarHBondContact O-CG 3.45Å; N65-Q69 PolarHBondContact O-N 2.85Å
66	E	88.4	Confident	92	Very high	130 Å²	130	69.5 Å²	69.5	61%	0.607	36%	0.362	S	S	*	.	H	α-helix	trans	-60.9	-50.8	178.3	-73.9	175.2	-177.7	0	0	111.5	D62 E63 N68 Q69 F70	D62-E66 WeakPolarHBondContact O-CG 3.41Å; D62-E66 PolarHBondContact O-N 2.74Å; E63-E66 PolarHBondContact O-N 3.3Å; E66-N68 VanDerWaalsContact C-N 3.32Å; E66-N68 PolarHBondContact O-N 2.78Å; E66-Q69 PolarHBondContact O-N 2.84Å; E66-F70 PolarHBondContact O-N 3.21Å
67	I	90.8	Very high	92.1	Very high	7 Å²	7	68.8 Å²	68.8	4%	0.036	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-40.7	-179.3	-164.5	61.5	0	0	0	111.4	E63 L64 Q69 F70 L71 L120 M124 R127 L128	E63-I67 WeakPolarHBondContact O-CG2 3.41Å; E63-I67 PolarHBondContact O-N 3.46Å; L64-I67 HydrophobicContact CD1-CG2 4.4Å; L64-I67 WeakPolarHBondContact O-CG2 3.28Å; I67-Q69 VanDerWaalsContact C-N 3.26Å; I67-Q69 PolarHBondContact O-N 3.4Å; I67-F70 CarbonylContact O-C 3.53Å; I67-F70 WeakPolarHBondContact O-CA 3.43Å; I67-F70 WeakPolarHBondContact O-CB 3.32Å; I67-F70 PolarHBondContact O-N 3.24Å; I67-L71 HydrophobicContact CD1-CD2 4.42Å; I67-L71 HydrophobicContact CG1-CD2 4.02Å; I67-L71 HydrophobicContact CG1-CG 4.32Å; I67-L71 WeakPolarHBondContact O-CG 3.26Å; I67-L71 PolarHBondContact O-N 3.09Å; I67-L120 HydrophobicContact CD1-CD1 4.29Å; I67-L120 HydrophobicContact CD1-CD2 4.5Å; I67-M124 HydrophobicContact CB-SD 3.38Å; I67-M124 WeakPolarHBondContact CB-SD 3.4Å; I67-M124 HydrophobicContact CD1-CB 4.23Å; I67-M124 HydrophobicContact CD1-SD 4.26Å; I67-M124 HydrophobicContact CG1-SD 3.65Å; I67-M124 HydrophobicContact CG2-CE 4.49Å; I67-M124 HydrophobicContact CG2-SD 3.44Å; I67-M124 WeakPolarHBondContact CG2-SD 3.48Å; I67-R127 HydrophobicContact CG1-CG 4.39Å; I67-L128 HydrophobicContact CD1-CD1 3.96Å; I67-L128 HydrophobicContact CD1-CG 4.04Å
68	N	90.7	Very high	92.2	Very high	82 Å²	82	67.6 Å²	67.6	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-31.8	-177.9	-78.2	-30.3	0	0	0	112.8	L64 N65 E66 F70	L64-N68 WeakPolarHBondContact O-CB 3.44Å; L64-N68 PolarHBondContact O-N 3.07Å; L64-N68 PolarHBondContact O-ND2 3.48Å; N65-N68 PolarHBondContact O-N 3.03Å; E66-N68 VanDerWaalsContact C-N 3.32Å; E66-N68 PolarHBondContact O-N 2.78Å; N68-F70 PolarHBondContact O-N 2.81Å
69	Q	88.9	Confident	92.4	Very high	157 Å²	157	65.8 Å²	65.8	73%	0.734	35%	0.347	S	S	*	.	H	α-helix	trans	-66.5	-30.7	173	-68.5	176.4	17.6	0	0	112	N65 E66 I67 P73	N65-Q69 WeakPolarHBondContact O-CG 3.45Å; N65-Q69 PolarHBondContact O-N 2.85Å; E66-Q69 PolarHBondContact O-N 2.84Å; I67-Q69 VanDerWaalsContact C-N 3.26Å; I67-Q69 PolarHBondContact O-N 3.4Å; Q69-P73 WeakPolarHBondContact O-CD 3.4Å
70	F	88.9	Confident	92.6	Very high	49 Å²	49	70 Å²	70	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-85.1	-27.3	179.9	-167.8	-106.6	0	0	0	113.2	E66 I67 N68 P73 V74 L104 L106 L109 L118 L128	E66-F70 PolarHBondContact O-N 3.21Å; I67-F70 CarbonylContact O-C 3.53Å; I67-F70 WeakPolarHBondContact O-CA 3.43Å; I67-F70 WeakPolarHBondContact O-CB 3.32Å; I67-F70 PolarHBondContact O-N 3.24Å; N68-F70 PolarHBondContact O-N 2.81Å; F70-P73 WeakPolarHBondContact O-CD 3.34Å; F70-V74 HydrophobicContact CD1-CG2 4.17Å; F70-V74 HydrophobicContact CE1-CG2 3.83Å; F70-V74 HydrophobicContact CZ-CG2 4.13Å; F70-V74 WeakPolarHBondContact O-CG2 3.46Å; F70-L104 VanDerWaalsContact CE2-O 3.25Å; F70-L104 WeakPolarHBondContact CE2-O 2.99Å; F70-L104 WeakPolarHBondContact CZ-O 3.31Å; F70-L106 HydrophobicContact CE1-CD2 3.84Å; F70-L106 HydrophobicContact CZ-CD2 3.86Å; F70-L109 HydrophobicContact CE1-CD2 4.42Å; F70-L118 HydrophobicContact CE1-CD1 3.92Å; F70-L118 HydrophobicContact CE2-CD1 4.12Å; F70-L118 HydrophobicContact CZ-CD1 3.6Å; F70-L128 HydrophobicContact CD1-CD1 3.66Å; F70-L128 HydrophobicContact CD1-CD2 3.61Å; F70-L128 HydrophobicContact CD1-CG 4.14Å; F70-L128 HydrophobicContact CE1-CD1 3.5Å; F70-L128 HydrophobicContact CE1-CD2 3.67Å; F70-L128 HydrophobicContact CE1-CG 4.21Å
71	L	93.7	Very high	92.9	Very high	8 Å²	8	72.2 Å²	72.2	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-44.8	-179.5	-62.9	-177	0	0	0	113.1	I67 V74 E75 R127 L128 I131	I67-L71 HydrophobicContact CD1-CD2 4.42Å; I67-L71 HydrophobicContact CG1-CD2 4.02Å; I67-L71 HydrophobicContact CG1-CG 4.32Å; I67-L71 WeakPolarHBondContact O-CG 3.26Å; I67-L71 PolarHBondContact O-N 3.09Å; L71-V74 PolarHBondContact O-N 2.97Å; L71-E75 WeakPolarHBondContact O-CB 3.35Å; L71-E75 PolarHBondContact O-N 2.81Å; L71-R127 HydrophobicContact CD1-CG 3.95Å; L71-R127 HydrophobicContact CD2-CG 3.9Å; L71-L128 HydrophobicContact CD2-CD2 3.87Å; L71-L128 HydrophobicContact CD2-CG 4.2Å; L71-I131 HydrophobicContact CB-CD1 3.95Å; L71-I131 HydrophobicContact CD2-CD1 3.62Å; L71-I131 HydrophobicContact CG-CD1 4.25Å
72	G	93.6	Very high	93.3	Very high	39 Å²	39	67.7 Å²	67.7	40%	0.402	35%	0.348	S	S	.	.	H	α-helix	trans	-58	-51.3	-173.9	0	0	0	0	0	114.1	V74 E75 K76	G72-V74 VanDerWaalsContact C-N 3.32Å; G72-V74 PolarHBondContact O-N 2.92Å; G72-E75 PolarHBondContact O-N 2.71Å; G72-K76 WeakPolarHBondContact O-CB 3.34Å; G72-K76 PolarHBondContact O-N 3.24Å
73	P	94.8	Very high	93.6	Very high	71 Å²	71	66.2 Å²	66.2	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-59.4	-38.6	175.1	-26.9	35.4	0	0	0	114	Q69 F70 F77 L104	Q69-P73 WeakPolarHBondContact O-CD 3.4Å; F70-P73 WeakPolarHBondContact O-CD 3.34Å; P73-F77 PolarHBondContact O-N 2.84Å; P73-F77 VanDerWaalsContact O-N 3.11Å; P73-L104 HydrophobicContact CB-CD2 4.4Å
74	V	96.6	Very high	94	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70.3	-46.7	179.4	179.9	0	0	0	0	110.2	F70 L71 G72 K76 F77 F78 L106 L128 I131	F70-V74 HydrophobicContact CD1-CG2 4.17Å; F70-V74 HydrophobicContact CE1-CG2 3.83Å; F70-V74 HydrophobicContact CZ-CG2 4.13Å; F70-V74 WeakPolarHBondContact O-CG2 3.46Å; L71-V74 PolarHBondContact O-N 2.97Å; G72-V74 VanDerWaalsContact C-N 3.32Å; G72-V74 PolarHBondContact O-N 2.92Å; V74-K76 VanDerWaalsContact C-N 3.31Å; V74-K76 PolarHBondContact O-N 3.14Å; V74-F77 WeakPolarHBondContact O-CB 3.35Å; V74-F77 PolarHBondContact O-N 2.91Å; V74-F77 VanDerWaalsContact O-N 3.16Å; V74-F78 HydrophobicContact CG1-CD2 3.81Å; V74-F78 HydrophobicContact CG1-CE2 3.84Å; V74-F78 WeakPolarHBondContact O-CD2 3.47Å; V74-F78 PolarHBondContact O-N 2.81Å; V74-L106 HydrophobicContact CG1-CD1 4.23Å; V74-L106 HydrophobicContact CG1-CD2 4.49Å; V74-L106 HydrophobicContact CG2-CD2 4.04Å; V74-L128 HydrophobicContact CB-CD2 4.32Å; V74-L128 HydrophobicContact CG1-CD2 4.22Å; V74-L128 HydrophobicContact CG2-CD2 4.09Å; V74-I131 HydrophobicContact CG1-CB 4.47Å; V74-I131 HydrophobicContact CG1-CG2 3.89Å
75	E	96.1	Very high	94.3	Very high	94 Å²	94	66 Å²	66	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-44.1	176.7	-174.3	168.3	-160.1	0	0	111.5	L71 G72 F77 F78 T79 I131 M134	L71-E75 WeakPolarHBondContact O-CB 3.35Å; L71-E75 PolarHBondContact O-N 2.81Å; G72-E75 PolarHBondContact O-N 2.71Å; E75-F77 VanDerWaalsContact C-N 3.33Å; E75-F77 PolarHBondContact O-N 2.88Å; E75-F78 PolarHBondContact O-N 3Å; E75-T79 HydrophobicContact CG-CG2 4.29Å; E75-T79 WeakPolarHBondContact O-CB 3.41Å; E75-T79 VanDerWaalsContact O-CG2 3.31Å; E75-T79 WeakPolarHBondContact O-CG2 3.49Å; E75-T79 PolarHBondContact O-N 2.83Å; E75-T79 PolarHBondContact O-OG1 3.06Å; E75-I131 HydrophobicContact CB-CD1 4.26Å; E75-I131 HydrophobicContact CB-CG2 4.15Å; E75-M134 HydrophobicContact CG-CE 4.43Å
76	K	96.3	Very high	94.6	Very high	110 Å²	110	65.7 Å²	65.7	48%	0.478	33%	0.33	S	S	.	.	H	α-helix	trans	-58.1	-46.5	175.3	-170.4	-178.2	179.6	-177.7	0	111.7	G72 V74 F78 T79 E80	G72-K76 WeakPolarHBondContact O-CB 3.34Å; G72-K76 PolarHBondContact O-N 3.24Å; V74-K76 VanDerWaalsContact C-N 3.31Å; V74-K76 PolarHBondContact O-N 3.14Å; K76-F78 PolarHBondContact O-N 2.75Å; K76-T79 PolarHBondContact O-N 3.21Å; K76-T79 PolarHBondContact O-OG1 3.19Å; K76-E80 VanDerWaalsContact CE-CD 3.43Å; K76-E80 WeakPolarHBondContact CE-OE2 3.46Å; K76-E80 HydrophobicContact CG-CG 4.2Å; K76-E80 IonicContact NZ-OE2 3.95Å; K76-E80 WeakPolarHBondContact O-CB 3.18Å; K76-E80 PolarHBondContact O-N 2.91Å
77	F	97.8	Very high	95.1	Very high	3 Å²	3	59.6 Å²	59.6	1%	0.013	30%	0.301	C	S	.	.	I	π-helix	trans	-59.7	-48.1	178.7	172.8	-113.5	0	0	0	111.8	P73 V74 E75 T79 E81 V82 T97 K100 L101 L104	P73-F77 PolarHBondContact O-N 2.84Å; P73-F77 VanDerWaalsContact O-N 3.11Å; V74-F77 WeakPolarHBondContact O-CB 3.35Å; V74-F77 PolarHBondContact O-N 2.91Å; V74-F77 VanDerWaalsContact O-N 3.16Å; E75-F77 VanDerWaalsContact C-N 3.33Å; E75-F77 PolarHBondContact O-N 2.88Å; F77-T79 VanDerWaalsContact C-N 3.32Å; F77-T79 PolarHBondContact O-N 3.1Å; F77-E81 HydrophobicContact CD2-CB 3.62Å; F77-E81 HydrophobicContact CD2-CG 4.18Å; F77-E81 HydrophobicContact CE2-CB 3.86Å; F77-E81 WeakPolarHBondContact O-CB 3.44Å; F77-E81 PolarHBondContact O-N 2.99Å; F77-V82 HydrophobicContact CD1-CG2 4.02Å; F77-V82 HydrophobicContact CE1-CG2 3.58Å; F77-V82 HydrophobicContact CE2-CG2 4.17Å; F77-V82 HydrophobicContact CZ-CG2 3.7Å; F77-V82 PolarHBondContact O-N 2.74Å; F77-V82 VanDerWaalsContact O-N 3.11Å; F77-T97 HydrophobicContact CE1-CG2 4.45Å; F77-T97 HydrophobicContact CZ-CG2 3.76Å; F77-K100 HydrophobicContact CD2-CB 4.31Å; F77-K100 HydrophobicContact CD2-CD 4.44Å; F77-K100 HydrophobicContact CD2-CG 3.38Å; F77-K100 HydrophobicContact CE1-CG 4.43Å; F77-K100 HydrophobicContact CE2-CB 3.63Å; F77-K100 HydrophobicContact CE2-CG 3.2Å; F77-K100 HydrophobicContact CG-CG 4.1Å; F77-K100 HydrophobicContact CZ-CB 3.81Å; F77-K100 HydrophobicContact CZ-CG 3.74Å; F77-L101 HydrophobicContact CD1-CD2 4.28Å; F77-L101 HydrophobicContact CE1-CD2 3.53Å; F77-L101 HydrophobicContact CE1-CG 3.95Å; F77-L101 HydrophobicContact CZ-CD2 4.41Å; F77-L101 HydrophobicContact CZ-CG 4.36Å; F77-L104 HydrophobicContact CB-CD1 3.98Å; F77-L104 HydrophobicContact CD1-CD1 3.9Å; F77-L104 HydrophobicContact CG-CD1 3.95Å
78	F	96.9	Very high	95.5	Very high	10 Å²	10	60 Å²	60	4%	0.044	30%	0.304	C	S	.	.	I	π-helix	trans	-69.8	-26	-179.8	-82.9	-88.4	0	0	0	114.1	V74 E75 K76 V82 L101 L106 I131 I132 M134 I138	V74-F78 HydrophobicContact CG1-CD2 3.81Å; V74-F78 HydrophobicContact CG1-CE2 3.84Å; V74-F78 WeakPolarHBondContact O-CD2 3.47Å; V74-F78 PolarHBondContact O-N 2.81Å; E75-F78 PolarHBondContact O-N 3Å; K76-F78 PolarHBondContact O-N 2.75Å; F78-V82 HydrophobicContact CD1-CG2 4.08Å; F78-V82 HydrophobicContact CE1-CG2 4.49Å; F78-V82 HydrophobicContact CG-CG2 4.37Å; F78-L101 HydrophobicContact CE2-CD2 4.25Å; F78-L101 HydrophobicContact CZ-CD2 3.98Å; F78-L106 HydrophobicContact CE2-CD1 4.12Å; F78-I131 HydrophobicContact CB-CG2 4.39Å; F78-I131 HydrophobicContact CD2-CG2 4.16Å; F78-I131 HydrophobicContact CG-CG2 4.47Å; F78-I132 HydrophobicContact CE1-CG2 4.42Å; F78-I132 VanDerWaalsContact CE1-O 3.29Å; F78-I132 WeakPolarHBondContact CE1-O 3.17Å; F78-I132 HydrophobicContact CE2-CB 4.4Å; F78-I132 HydrophobicContact CE2-CG1 3.92Å; F78-I132 HydrophobicContact CZ-CB 4.01Å; F78-I132 HydrophobicContact CZ-CG1 3.93Å; F78-I132 HydrophobicContact CZ-CG2 3.95Å; F78-M134 HydrophobicContact CB-CB 4.35Å; F78-M134 HydrophobicContact CB-SD 3.72Å; F78-M134 HydrophobicContact CD1-CB 4.15Å; F78-I138 HydrophobicContact CE1-CB 4.33Å; F78-I138 HydrophobicContact CE1-CD1 4.07Å; F78-I138 HydrophobicContact CE1-CG2 3.9Å; F78-I138 HydrophobicContact CZ-CG2 3.78Å
79	T	94.3	Very high	95.7	Very high	84 Å²	84	62.1 Å²	62.1	52%	0.515	31%	0.311	S	S	.	.	I	π-helix	trans	-92.1	-32.3	-178.4	53.1	0	0	0	0	113.8	E75 K76 F77 M134	E75-T79 HydrophobicContact CG-CG2 4.29Å; E75-T79 WeakPolarHBondContact O-CB 3.41Å; E75-T79 VanDerWaalsContact O-CG2 3.31Å; E75-T79 WeakPolarHBondContact O-CG2 3.49Å; E75-T79 PolarHBondContact O-N 2.83Å; E75-T79 PolarHBondContact O-OG1 3.06Å; K76-T79 PolarHBondContact O-N 3.21Å; K76-T79 PolarHBondContact O-OG1 3.19Å; F77-T79 VanDerWaalsContact C-N 3.32Å; F77-T79 PolarHBondContact O-N 3.1Å; T79-M134 HydrophobicContact CG2-CE 4.1Å; T79-M134 HydrophobicContact CG2-SD 3.82Å
80	E	95.9	Very high	96.1	Very high	136 Å²	136	59.2 Å²	59.2	64%	0.636	30%	0.297	S	S	*	.	I	π-helix	trans	-107.7	-29.3	-173.9	-61.5	-177.8	-167	0	0	114	K76	K76-E80 VanDerWaalsContact CE-CD 3.43Å; K76-E80 WeakPolarHBondContact CE-OE2 3.46Å; K76-E80 HydrophobicContact CG-CG 4.2Å; K76-E80 IonicContact NZ-OE2 3.95Å; K76-E80 WeakPolarHBondContact O-CB 3.18Å; K76-E80 PolarHBondContact O-N 2.91Å
81	E	97.1	Very high	96.5	Very high	101 Å²	101	58.3 Å²	58.3	47%	0.472	30%	0.302	S	S	.	.	I	π-helix	trans	-112.6	-29.2	-170.1	-60.5	-179.5	-135	0	0	113.6	F77 D83	F77-E81 HydrophobicContact CD2-CB 3.62Å; F77-E81 HydrophobicContact CD2-CG 4.18Å; F77-E81 HydrophobicContact CE2-CB 3.86Å; F77-E81 WeakPolarHBondContact O-CB 3.44Å; F77-E81 PolarHBondContact O-N 2.99Å; E81-D83 PolarHBondContact O-N 3.01Å
82	V	97.9	Very high	96.7	Very high	21 Å²	21	63.6 Å²	63.6	13%	0.127	33%	0.325	C	S	.	.			trans	-78.2	116.8	-179.5	173.8	0	0	0	0	111.5	F77 F78 I87 T97 D135 I138	F77-V82 HydrophobicContact CD1-CG2 4.02Å; F77-V82 HydrophobicContact CE1-CG2 3.58Å; F77-V82 HydrophobicContact CE2-CG2 4.17Å; F77-V82 HydrophobicContact CZ-CG2 3.7Å; F77-V82 PolarHBondContact O-N 2.74Å; F77-V82 VanDerWaalsContact O-N 3.11Å; F78-V82 HydrophobicContact CD1-CG2 4.08Å; F78-V82 HydrophobicContact CE1-CG2 4.49Å; F78-V82 HydrophobicContact CG-CG2 4.37Å; V82-I87 HydrophobicContact CG1-CD1 4.05Å; V82-T97 HydrophobicContact CG2-CG2 4.36Å; V82-D135 HydrophobicContact CG1-CB 4.14Å; V82-I138 HydrophobicContact CG1-CD1 3.72Å; V82-I138 HydrophobicContact CG2-CD1 4Å
83	D	97.4	Very high	97	Very high	83 Å²	83	62.3 Å²	62.3	44%	0.444	31%	0.308	S	S	.	.			trans	-98.5	86.9	171.3	-172.2	-15.8	0	0	0	111.6	E81 R85 K86 I87	E81-D83 PolarHBondContact O-N 3.01Å; D83-R85 PolarHBondContact O-N 2.7Å; D83-R85 WeakPolarHBondContact OD1-CA 3.29Å; D83-R85 WeakPolarHBondContact OD1-CB 3.46Å; D83-R85 PolarHBondContact OD1-N 2.81Å; D83-K86 HydrophobicContact CB-CB 3.93Å; D83-K86 VanDerWaalsContact CG-CB 3.44Å; D83-K86 PolarHBondContact O-N 3.37Å; D83-K86 PolarHBondContact OD1-N 2.77Å; D83-K86 WeakPolarHBondContact OD2-CB 3.28Å; D83-I87 WeakPolarHBondContact O-CG1 3.48Å; D83-I87 PolarHBondContact O-N 3.18Å
84	S	97.5	Very high	97.1	Very high	16 Å²	16	59.4 Å²	59.4	11%	0.112	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-22.2	176.6	-60.5	0	0	0	0	114.4	D88 D135 R414	S84-D88 WeakPolarHBondContact O-CB 3.4Å; S84-D88 PolarHBondContact O-N 2.59Å; S84-D135 VanDerWaalsContact CA-OD2 3.26Å; S84-D135 WeakPolarHBondContact CA-OD2 3.34Å; S84-D135 WeakPolarHBondContact CB-OD2 3.47Å; S84-D135 PolarHBondContact OG-OD2 2.75Å; S84-R414 VanDerWaalsContact CB-NH1 3.33Å; S84-R414 VanDerWaalsContact CB-NH2 3.28Å; S84-R414 PolarHBondContact O-NH1 2.96Å; S84-R414 VanDerWaalsContact O-NH1 3.15Å
85	R	96.7	Very high	97.1	Very high	113 Å²	113	65.1 Å²	65.1	43%	0.426	32%	0.32	S	S	.	.	H	α-helix	trans	-74.5	-46.4	177.7	-174.4	-176	-169.3	172.4	9.7	109.2	D83 D88 Q89 D409	D83-R85 PolarHBondContact O-N 2.7Å; D83-R85 WeakPolarHBondContact OD1-CA 3.29Å; D83-R85 WeakPolarHBondContact OD1-CB 3.46Å; D83-R85 PolarHBondContact OD1-N 2.81Å; R85-D88 PolarHBondContact O-N 3.43Å; R85-Q89 WeakPolarHBondContact O-CB 3.29Å; R85-Q89 VanDerWaalsContact O-CG 3.29Å; R85-Q89 WeakPolarHBondContact O-CG 3.21Å; R85-Q89 PolarHBondContact O-N 2.79Å; R85-D409 IonicContact NH2-OD1 2.77Å; R85-D409 PolarHBondContact NH2-OD1 2.97Å
86	K	97.4	Very high	97.2	Very high	65 Å²	65	66.5 Å²	66.5	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-47	174.5	-176.2	-177.3	176.9	-169.5	0	111.3	D83 D88 Q89 E90 P94 E96	D83-K86 HydrophobicContact CB-CB 3.93Å; D83-K86 VanDerWaalsContact CG-CB 3.44Å; D83-K86 PolarHBondContact O-N 3.37Å; D83-K86 PolarHBondContact OD1-N 2.77Å; D83-K86 WeakPolarHBondContact OD2-CB 3.28Å; K86-D88 VanDerWaalsContact C-N 3.33Å; K86-D88 PolarHBondContact O-N 2.85Å; K86-Q89 PolarHBondContact O-N 3.4Å; K86-E90 WeakPolarHBondContact CE-OE1 3.46Å; K86-E90 HydrophobicContact CG-CG 4.22Å; K86-E90 VanDerWaalsContact CG-OE1 3.31Å; K86-E90 WeakPolarHBondContact CG-OE1 3.18Å; K86-E90 WeakPolarHBondContact O-CB 3.46Å; K86-E90 WeakPolarHBondContact O-CG 3.43Å; K86-E90 PolarHBondContact O-N 3.13Å; K86-P94 HydrophobicContact CD-CG 4.49Å; K86-E96 IonicContact NZ-OE1 3.87Å
87	I	98.4	Very high	97.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-55	-46.9	177.8	-69.4	168.7	0	0	0	111.6	V82 D83 G91 K92 I93 I138	V82-I87 HydrophobicContact CG1-CD1 4.05Å; D83-I87 WeakPolarHBondContact O-CG1 3.48Å; D83-I87 PolarHBondContact O-N 3.18Å; I87-G91 PolarHBondContact O-N 2.77Å; I87-K92 WeakPolarHBondContact CA-O 3.41Å; I87-K92 PolarHBondContact O-N 3.43Å; I87-I93 HydrophobicContact CG2-CG1 4.19Å; I87-I138 HydrophobicContact CD1-CD1 3.99Å; I87-I138 HydrophobicContact CD1-CG1 4.29Å
88	D	98	Very high	97.3	Very high	16 Å²	16	62.4 Å²	62.4	9%	0.086	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-42.5	-179.7	179.7	75.9	0	0	0	113	S84 R85 K86 G91 R266 R414 R417	S84-D88 WeakPolarHBondContact O-CB 3.4Å; S84-D88 PolarHBondContact O-N 2.59Å; R85-D88 PolarHBondContact O-N 3.43Å; K86-D88 VanDerWaalsContact C-N 3.33Å; K86-D88 PolarHBondContact O-N 2.85Å; D88-G91 PolarHBondContact O-N 2.85Å; D88-R266 WeakPolarHBondContact O-CD 3.48Å; D88-R266 PolarHBondContact O-NE 2.82Å; D88-R266 VanDerWaalsContact OD1-CD 3.27Å; D88-R266 WeakPolarHBondContact OD1-CD 3.24Å; D88-R414 HydrophobicContact CB-CG 4.27Å; D88-R417 IonicContact OD1-CZ 3.52Å; D88-R417 IonicContact OD1-NH1 2.8Å; D88-R417 PolarHBondContact OD1-NH1 2.8Å; D88-R417 IonicContact OD1-NH2 3.83Å; D88-R417 PolarHBondContact OD1-NH2 2.84Å; D88-R417 IonicContact OD2-CZ 3.61Å; D88-R417 IonicContact OD2-NH1 3.59Å; D88-R417 IonicContact OD2-NH2 2.59Å; D88-R417 PolarHBondContact OD2-NH2 3.24Å
89	Q	96.6	Very high	97.3	Very high	127 Å²	127	67 Å²	67	59%	0.593	33%	0.332	S	S	*	.	H	α-helix	trans	-67.4	-43.8	-179.7	-74.7	178.1	-13.7	0	0	112.4	R85 K86 G91	R85-Q89 WeakPolarHBondContact O-CB 3.29Å; R85-Q89 VanDerWaalsContact O-CG 3.29Å; R85-Q89 WeakPolarHBondContact O-CG 3.21Å; R85-Q89 PolarHBondContact O-N 2.79Å; K86-Q89 PolarHBondContact O-N 3.4Å; Q89-G91 VanDerWaalsContact C-N 3.32Å
90	E	97	Very high	97.5	Very high	96 Å²	96	66.5 Å²	66.5	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-79.2	-17.7	179.8	-65.5	-174.7	-171.9	0	0	112.6	K86 K92	K86-E90 WeakPolarHBondContact CE-OE1 3.46Å; K86-E90 HydrophobicContact CG-CG 4.22Å; K86-E90 VanDerWaalsContact CG-OE1 3.31Å; K86-E90 WeakPolarHBondContact CG-OE1 3.18Å; K86-E90 WeakPolarHBondContact O-CB 3.46Å; K86-E90 WeakPolarHBondContact O-CG 3.43Å; K86-E90 PolarHBondContact O-N 3.13Å; E90-K92 HydrophobicContact CB-CG 4.05Å; E90-K92 PolarHBondContact O-N 2.75Å; E90-K92 WeakPolarHBondContact OE2-CE 3.33Å
91	G	97.6	Very high	97.6	Very high	30 Å²	30	60 Å²	60	31%	0.309	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	26.3	-177.9	0	0	0	0	0	113.4	I87 D88 Q89 R266	I87-G91 PolarHBondContact O-N 2.77Å; D88-G91 PolarHBondContact O-N 2.85Å; Q89-G91 VanDerWaalsContact C-N 3.32Å; G91-R266 CarbonylContact C-O 3.45Å; G91-R266 VanDerWaalsContact C-O 3.24Å; G91-R266 WeakPolarHBondContact CA-O 3.28Å; G91-R266 VanDerWaalsContact O-O 3.07Å
92	K	97.6	Very high	97.7	Very high	119 Å²	119	57.4 Å²	57.4	52%	0.517	28%	0.279	S	S	.	.	S	Bend	trans	-153.2	153	176	61.7	174.7	-176.4	169.3	0	111.2	I87 E90	I87-K92 WeakPolarHBondContact CA-O 3.41Å; I87-K92 PolarHBondContact O-N 3.43Å; E90-K92 HydrophobicContact CB-CG 4.05Å; E90-K92 PolarHBondContact O-N 2.75Å; E90-K92 WeakPolarHBondContact OE2-CE 3.33Å
93	I	98.4	Very high	97.7	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.062	30%	0.302	C	S	.	.			trans	-80.4	128.2	167.2	-58.8	166.2	0	0	0	107.9	I87 T97 L98 I138 T141 G267	I87-I93 HydrophobicContact CG2-CG1 4.19Å; I93-T97 HydrophobicContact CG2-CG2 3.78Å; I93-L98 HydrophobicContact CB-CD2 4.31Å; I93-L98 HydrophobicContact CB-CG 4.2Å; I93-L98 HydrophobicContact CD1-CD2 4.38Å; I93-L98 HydrophobicContact CG2-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CG 3.78Å; I93-I138 HydrophobicContact CD1-CG1 3.93Å; I93-I138 HydrophobicContact CG1-CG1 4.23Å; I93-I138 HydrophobicContact CG2-CG1 4.38Å; I93-T141 HydrophobicContact CD1-CG2 4.14Å; I93-T141 WeakPolarHBondContact CD1-OG1 3.44Å; I93-G267 PolarHBondContact N-O 3.46Å
94	P	98	Very high	97.6	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.065	29%	0.288	C	S	.	.			trans	-58	146.4	175.8	-25.2	33.2	0	0	0	112.8	K86 E96 T97 L98	K86-P94 HydrophobicContact CD-CG 4.49Å; P94-E96 VanDerWaalsContact C-N 3.28Å; P94-E96 HydrophobicContact CB-CG 4.19Å; P94-E96 WeakPolarHBondContact CB-OE1 3.32Å; P94-E96 PolarHBondContact O-N 2.88Å; P94-T97 WeakPolarHBondContact O-CB 2.91Å; P94-T97 PolarHBondContact O-N 3.2Å; P94-L98 PolarHBondContact O-N 3.5Å
95	D	96.9	Very high	97.6	Very high	120 Å²	120	58 Å²	58	64%	0.642	29%	0.291	S	S	*	.	H	α-helix	trans	-61	-39	-179.4	-64.4	-31.5	0	0	0	111	T97 L98 E99	D95-T97 VanDerWaalsContact C-N 3.28Å; D95-T97 PolarHBondContact O-N 3.24Å; D95-L98 PolarHBondContact O-N 3.3Å; D95-E99 WeakPolarHBondContact O-CG 3.45Å; D95-E99 PolarHBondContact O-N 3.21Å
96	E	97.6	Very high	97.6	Very high	123 Å²	123	52.6 Å²	52.6	58%	0.575	27%	0.271	S	S	*	.	H	α-helix	trans	-59.7	-37.9	175.2	63.2	-94	-167.5	0	0	113	K86 P94 K100	K86-E96 IonicContact NZ-OE1 3.87Å; P94-E96 VanDerWaalsContact C-N 3.28Å; P94-E96 HydrophobicContact CB-CG 4.19Å; P94-E96 WeakPolarHBondContact CB-OE1 3.32Å; P94-E96 PolarHBondContact O-N 2.88Å; E96-K100 WeakPolarHBondContact O-CB 3.5Å; E96-K100 PolarHBondContact O-N 3.43Å
97	T	98.3	Very high	97.6	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-68.5	-44.2	176.7	-54.7	0	0	0	0	110.1	F77 V82 I93 P94 D95 K100 L101 I138	F77-T97 HydrophobicContact CE1-CG2 4.45Å; F77-T97 HydrophobicContact CZ-CG2 3.76Å; V82-T97 HydrophobicContact CG2-CG2 4.36Å; I93-T97 HydrophobicContact CG2-CG2 3.78Å; P94-T97 WeakPolarHBondContact O-CB 2.91Å; P94-T97 PolarHBondContact O-N 3.2Å; D95-T97 VanDerWaalsContact C-N 3.28Å; D95-T97 PolarHBondContact O-N 3.24Å; T97-K100 PolarHBondContact O-N 3Å; T97-L101 HydrophobicContact CG2-CD1 4.46Å; T97-L101 VanDerWaalsContact O-CG 3.26Å; T97-L101 WeakPolarHBondContact O-CG 3.21Å; T97-L101 PolarHBondContact O-N 3.35Å; T97-I138 HydrophobicContact CG2-CD1 3.83Å
98	L	97.6	Very high	97.6	Very high	17 Å²	17	49.5 Å²	49.5	9%	0.089	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-46.4	176.8	-75.1	174.4	0	0	0	112.1	I93 P94 D95 K100 L101 K102 F107	I93-L98 HydrophobicContact CB-CD2 4.31Å; I93-L98 HydrophobicContact CB-CG 4.2Å; I93-L98 HydrophobicContact CD1-CD2 4.38Å; I93-L98 HydrophobicContact CG2-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CG 3.78Å; P94-L98 PolarHBondContact O-N 3.5Å; D95-L98 PolarHBondContact O-N 3.3Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.29Å; L98-L101 HydrophobicContact CD2-CD1 4.33Å; L98-L101 WeakPolarHBondContact O-CB 3.29Å; L98-L101 PolarHBondContact O-N 3.35Å; L98-K102 WeakPolarHBondContact O-CG 3.37Å; L98-K102 PolarHBondContact O-N 3.4Å; L98-F107 HydrophobicContact CD2-CZ 4.4Å
99	E	98.1	Very high	97.5	Very high	107 Å²	107	48.8 Å²	48.8	50%	0.5	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-37.2	177.6	-70.4	-53	126.9	0	0	112	D95 K102 S103	D95-E99 WeakPolarHBondContact O-CG 3.45Å; D95-E99 PolarHBondContact O-N 3.21Å; E99-K102 WeakPolarHBondContact O-CB 3.36Å; E99-K102 PolarHBondContact O-N 2.89Å; E99-K102 WeakPolarHBondContact OE1-CE 3.47Å; E99-K102 IonicContact OE1-NZ 3.14Å; E99-K102 PolarHBondContact OE1-NZ 2.77Å; E99-S103 WeakPolarHBondContact O-CB 3.49Å; E99-S103 PolarHBondContact O-N 2.8Å
100	K	98.2	Very high	97.4	Very high	74 Å²	74	43.9 Å²	43.9	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-65.3	-43.4	174.7	-170.9	59.2	168	-170.8	0	112	F77 E96 T97 L98 K102 S103 L104	F77-K100 HydrophobicContact CD2-CB 4.31Å; F77-K100 HydrophobicContact CD2-CD 4.44Å; F77-K100 HydrophobicContact CD2-CG 3.38Å; F77-K100 HydrophobicContact CE1-CG 4.43Å; F77-K100 HydrophobicContact CE2-CB 3.63Å; F77-K100 HydrophobicContact CE2-CG 3.2Å; F77-K100 HydrophobicContact CG-CG 4.1Å; F77-K100 HydrophobicContact CZ-CB 3.81Å; F77-K100 HydrophobicContact CZ-CG 3.74Å; E96-K100 WeakPolarHBondContact O-CB 3.5Å; E96-K100 PolarHBondContact O-N 3.43Å; T97-K100 PolarHBondContact O-N 3Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.29Å; K100-K102 VanDerWaalsContact C-N 3.3Å; K100-K102 PolarHBondContact O-N 3.39Å; K100-S103 PolarHBondContact O-N 3.03Å; K100-S103 PolarHBondContact O-OG 3.48Å; K100-L104 HydrophobicContact CG-CD1 4.43Å; K100-L104 WeakPolarHBondContact O-CG 3.25Å; K100-L104 PolarHBondContact O-N 2.9Å
101	L	98.1	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.4	-42.3	173.6	-68.6	169.1	0	0	0	111.9	F77 F78 T97 L98 L104 G105 L106 F107 I138 L142	F77-L101 HydrophobicContact CD1-CD2 4.28Å; F77-L101 HydrophobicContact CE1-CD2 3.53Å; F77-L101 HydrophobicContact CE1-CG 3.95Å; F77-L101 HydrophobicContact CZ-CD2 4.41Å; F77-L101 HydrophobicContact CZ-CG 4.36Å; F78-L101 HydrophobicContact CE2-CD2 4.25Å; F78-L101 HydrophobicContact CZ-CD2 3.98Å; T97-L101 HydrophobicContact CG2-CD1 4.46Å; T97-L101 VanDerWaalsContact O-CG 3.26Å; T97-L101 WeakPolarHBondContact O-CG 3.21Å; T97-L101 PolarHBondContact O-N 3.35Å; L98-L101 HydrophobicContact CD2-CD1 4.33Å; L98-L101 WeakPolarHBondContact O-CB 3.29Å; L98-L101 PolarHBondContact O-N 3.35Å; L101-L104 PolarHBondContact O-N 3.05Å; L101-G105 PolarHBondContact O-N 2.77Å; L101-L106 HydrophobicContact CD2-CD1 3.57Å; L101-L106 PolarHBondContact O-N 3.04Å; L101-L106 VanDerWaalsContact O-N 3.1Å; L101-F107 HydrophobicContact CB-CE2 3.9Å; L101-I138 HydrophobicContact CD1-CG1 4.41Å; L101-I138 HydrophobicContact CD1-CG2 3.67Å; L101-I138 HydrophobicContact CD2-CG2 3.92Å; L101-I138 HydrophobicContact CG-CG2 4.47Å; L101-L142 HydrophobicContact CD2-CD1 4.29Å
102	K	98.2	Very high	97.4	Very high	45 Å²	45	39.9 Å²	39.9	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-47.9	174.4	-66.7	176	-168.1	175.1	0	111.8	L98 E99 K100 L104 G105 F107 G172	L98-K102 WeakPolarHBondContact O-CG 3.37Å; L98-K102 PolarHBondContact O-N 3.4Å; E99-K102 WeakPolarHBondContact O-CB 3.36Å; E99-K102 PolarHBondContact O-N 2.89Å; E99-K102 WeakPolarHBondContact OE1-CE 3.47Å; E99-K102 IonicContact OE1-NZ 3.14Å; E99-K102 PolarHBondContact OE1-NZ 2.77Å; K100-K102 VanDerWaalsContact C-N 3.3Å; K100-K102 PolarHBondContact O-N 3.39Å; K102-L104 PolarHBondContact O-N 3.27Å; K102-G105 WeakPolarHBondContact O-CA 3.45Å; K102-G105 PolarHBondContact O-N 3.32Å; K102-F107 HydrophobicContact CB-CD2 4.4Å; K102-F107 HydrophobicContact CG-CD2 3.71Å; K102-F107 HydrophobicContact CG-CE2 3.59Å; K102-F107 HydrophobicContact CG-CZ 4.35Å; K102-G172 WeakPolarHBondContact CD-O 3.39Å; K102-G172 WeakPolarHBondContact CE-O 3.16Å; K102-G172 PolarHBondContact NZ-O 3.48Å
103	S	97.1	Very high	97.4	Very high	86 Å²	86	41.3 Å²	41.3	60%	0.601	22%	0.216	S	C	*	.	H	α-helix	trans	-63.4	-27.7	-179.6	76.5	0	0	0	0	113.7	E99 K100 G105	E99-S103 WeakPolarHBondContact O-CB 3.49Å; E99-S103 PolarHBondContact O-N 2.8Å; K100-S103 PolarHBondContact O-N 3.03Å; K100-S103 PolarHBondContact O-OG 3.48Å; S103-G105 VanDerWaalsContact C-N 3.28Å
104	L	96.6	Very high	97.3	Very high	29 Å²	29	48.1 Å²	48.1	15%	0.152	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9	173.2	-70.8	172.6	0	0	0	112.5	F70 P73 F77 K100 L101 K102 L106	F70-L104 VanDerWaalsContact CE2-O 3.25Å; F70-L104 WeakPolarHBondContact CE2-O 2.99Å; F70-L104 WeakPolarHBondContact CZ-O 3.31Å; P73-L104 HydrophobicContact CB-CD2 4.4Å; F77-L104 HydrophobicContact CB-CD1 3.98Å; F77-L104 HydrophobicContact CD1-CD1 3.9Å; F77-L104 HydrophobicContact CG-CD1 3.95Å; K100-L104 HydrophobicContact CG-CD1 4.43Å; K100-L104 WeakPolarHBondContact O-CG 3.25Å; K100-L104 PolarHBondContact O-N 2.9Å; L101-L104 PolarHBondContact O-N 3.05Å; K102-L104 PolarHBondContact O-N 3.27Å; L104-L106 HydrophobicContact CB-CD1 4.21Å; L104-L106 HydrophobicContact CB-CD2 4.49Å; L104-L106 HydrophobicContact CB-CG 3.87Å; L104-L106 HydrophobicContact CD1-CD1 4.24Å
105	G	96.6	Very high	97.3	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	14.8	-178.8	0	0	0	0	0	114.5	L101 K102 S103 F107 G108	L101-G105 PolarHBondContact O-N 2.77Å; K102-G105 WeakPolarHBondContact O-CA 3.45Å; K102-G105 PolarHBondContact O-N 3.32Å; S103-G105 VanDerWaalsContact C-N 3.28Å; G105-F107 PolarHBondContact O-N 3.46Å; G105-G108 PolarHBondContact O-N 3.46Å; G105-G108 VanDerWaalsContact O-N 3.1Å
106	L	97.4	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.2	-171.9	-58.2	-177.7	0	0	0	114.6	F70 V74 F78 L101 L104 L109 L142 Q146	F70-L106 HydrophobicContact CE1-CD2 3.84Å; F70-L106 HydrophobicContact CZ-CD2 3.86Å; V74-L106 HydrophobicContact CG1-CD1 4.23Å; V74-L106 HydrophobicContact CG1-CD2 4.49Å; V74-L106 HydrophobicContact CG2-CD2 4.04Å; F78-L106 HydrophobicContact CE2-CD1 4.12Å; L101-L106 HydrophobicContact CD2-CD1 3.57Å; L101-L106 PolarHBondContact O-N 3.04Å; L101-L106 VanDerWaalsContact O-N 3.1Å; L104-L106 HydrophobicContact CB-CD1 4.21Å; L104-L106 HydrophobicContact CB-CD2 4.49Å; L104-L106 HydrophobicContact CB-CG 3.87Å; L104-L106 HydrophobicContact CD1-CD1 4.24Å; L106-L109 HydrophobicContact CD2-CD2 3.86Å; L106-L142 HydrophobicContact CB-CD1 4.12Å; L106-L142 HydrophobicContact CB-CD2 4.48Å; L106-Q146 PolarHBondContact O-NE2 3.17Å
107	F	98.3	Very high	97.2	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-23.3	171.3	-77.8	-99.3	0	0	0	112.4	L98 L101 K102 G105 L142 H145 I175	L98-F107 HydrophobicContact CD2-CZ 4.4Å; L101-F107 HydrophobicContact CB-CE2 3.9Å; K102-F107 HydrophobicContact CB-CD2 4.4Å; K102-F107 HydrophobicContact CG-CD2 3.71Å; K102-F107 HydrophobicContact CG-CE2 3.59Å; K102-F107 HydrophobicContact CG-CZ 4.35Å; G105-F107 PolarHBondContact O-N 3.46Å; F107-L142 HydrophobicContact CD1-CD2 4.24Å; F107-L142 HydrophobicContact CD2-CD2 3.86Å; F107-L142 HydrophobicContact CE1-CD2 4.11Å; F107-L142 HydrophobicContact CE2-CD2 3.74Å; F107-L142 HydrophobicContact CG-CD2 4.11Å; F107-L142 HydrophobicContact CZ-CD2 3.87Å; F107-H145 HydrophobicContact CD1-CB 4.43Å; F107-H145 AromaticContact CD1-CD2 3.51Å; F107-H145 AromaticContact CD1-CE1 3.91Å; F107-H145 AromaticContact CD1-CG 3.77Å; F107-H145 AromaticContact CD1-NE2 3.63Å; F107-H145 PolarHBondContact O-CD2 3.12Å; F107-H145 PolarHBondContact O-NE2 3.15Å; F107-H145 VanDerWaalsContact O-NE2 3.08Å; F107-I175 HydrophobicContact CE1-CD1 4.29Å; F107-I175 HydrophobicContact CE1-CG1 4.02Å
108	G	97.2	Very high	97.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	24%	0.237	C	C	.	.			trans	-112.5	25.7	-172.5	0	0	0	0	0	115.8	G105 Q110 V111 G117 L118 A170	G105-G108 PolarHBondContact O-N 3.46Å; G105-G108 VanDerWaalsContact O-N 3.1Å; G108-Q110 PolarHBondContact O-N 2.87Å; G108-V111 PolarHBondContact O-N 3.09Å; G108-G117 WeakPolarHBondContact O-CA 3.43Å; G108-L118 PolarHBondContact O-N 3.33Å; G108-A170 PolarHBondContact N-O 2.94Å
109	L	95.9	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-46.5	-168.1	-58.6	-179.1	0	0	0	113.3	F70 L106 L118 G119 L120 Y125 L128 I132	F70-L109 HydrophobicContact CE1-CD2 4.42Å; L106-L109 HydrophobicContact CD2-CD2 3.86Å; L109-L118 HydrophobicContact CD2-CD1 3.63Å; L109-G119 PolarHBondContact O-N 2.87Å; L109-L120 HydrophobicContact CB-CD1 4.19Å; L109-L120 HydrophobicContact CD2-CD1 4.21Å; L109-L120 WeakPolarHBondContact O-CB 3.27Å; L109-L120 VanDerWaalsContact O-CG 3.27Å; L109-L120 WeakPolarHBondContact O-CG 3.47Å; L109-L120 PolarHBondContact O-N 3.38Å; L109-Y125 HydrophobicContact CB-CD2 3.85Å; L109-Y125 HydrophobicContact CB-CE2 4.27Å; L109-Y125 HydrophobicContact CD1-CD2 3.73Å; L109-Y125 HydrophobicContact CD1-CE2 3.76Å; L109-Y125 HydrophobicContact CG-CD2 4.42Å; L109-L128 HydrophobicContact CD1-CB 4.44Å; L109-L128 HydrophobicContact CD1-CD1 4.27Å; L109-L128 HydrophobicContact CD2-CD1 3.75Å; L109-I132 HydrophobicContact CD1-CD1 4.1Å
110	Q	95.2	Very high	96.7	Very high	25 Å²	25	40.3 Å²	40.3	12%	0.117	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	6.6	-179.2	-59.3	-166.3	-61.4	0	0	113.5	G108 N122 Y125	G108-Q110 PolarHBondContact O-N 2.87Å; Q110-N122 PolarHBondContact NE2-OD1 3.35Å; Q110-N122 VanDerWaalsContact NE2-OD1 3.14Å; Q110-Y125 HydrophobicContact CG-CD2 3.73Å; Q110-Y125 HydrophobicContact CG-CE2 4.42Å; Q110-Y125 HydrophobicContact CG-CG 3.83Å
111	V	97.8	Very high	96.5	Very high	2 Å²	2	38 Å²	38	1%	0.012	23%	0.229	C	C	.	.	S	Bend	trans	-71.5	132.2	173.2	175.5	0	0	0	0	107.5	G108 G117 L118 G119 L150 I154 L166 A170	G108-V111 PolarHBondContact O-N 3.09Å; V111-G117 CarbonylContact O-C 3.38Å; V111-G117 VanDerWaalsContact O-CA 3.27Å; V111-G117 WeakPolarHBondContact O-CA 3.39Å; V111-L118 PolarHBondContact O-N 2.98Å; V111-G119 WeakPolarHBondContact O-CA 3.48Å; V111-G119 PolarHBondContact O-N 2.7Å; V111-L150 HydrophobicContact CG2-CD1 3.89Å; V111-L150 HydrophobicContact CG2-CD2 4.34Å; V111-I154 HydrophobicContact CG2-CD1 4.24Å; V111-L166 HydrophobicContact CG1-CB 3.93Å; V111-L166 HydrophobicContact CG1-CD1 4.34Å; V111-L166 HydrophobicContact CG1-CG 4.49Å; V111-L166 HydrophobicContact CG2-CD2 4.46Å; V111-A170 HydrophobicContact CB-CB 4.07Å; V111-A170 HydrophobicContact CG1-CB 3.95Å; V111-A170 HydrophobicContact CG2-CB 4.22Å
112	P	96.9	Very high	96.3	Very high	40 Å²	40	39.4 Å²	39.4	26%	0.26	24%	0.237	S	C	.	.			trans	-57	146.5	178.8	-24.7	33.5	0	0	0	112.4	E114 Y115 G116 G117	P112-E114 VanDerWaalsContact C-N 3.25Å; P112-E114 HydrophobicContact CB-CG 4.17Å; P112-E114 PolarHBondContact O-N 2.97Å; P112-Y115 HydrophobicContact CB-CD2 3.99Å; P112-Y115 HydrophobicContact CG-CD2 4.09Å; P112-Y115 CarbonylContact O-C 3.55Å; P112-Y115 WeakPolarHBondContact O-CA 3.29Å; P112-Y115 PolarHBondContact O-N 3.25Å; P112-G116 PolarHBondContact O-N 3.04Å; P112-G117 PolarHBondContact O-N 2.78Å
113	E	96.5	Very high	96.2	Very high	149 Å²	149	38 Å²	38	70%	0.696	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-58.9	-35	-177.6	-64.1	-176.8	173.3	0	0	113.1	Y115 G116	E113-Y115 PolarHBondContact O-N 3.04Å; E113-Y115 VanDerWaalsContact O-N 3.11Å; E113-G116 PolarHBondContact O-N 3.49Å
114	E	97.3	Very high	96.1	Very high	154 Å²	154	34.4 Å²	34.4	72%	0.72	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-61.2	-20.7	176.5	69.4	-172.8	147.2	0	0	113.1	P112	P112-E114 VanDerWaalsContact C-N 3.25Å; P112-E114 HydrophobicContact CB-CG 4.17Å; P112-E114 PolarHBondContact O-N 2.97Å
115	Y	98	Very high	96	Very high	24 Å²	24	33.9 Å²	33.9	9%	0.094	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-104.9	16.7	174.5	-60.4	-61.6	0	0	0	112.6	P112 E113 E159 K162 A163 L166 P167	P112-Y115 HydrophobicContact CB-CD2 3.99Å; P112-Y115 HydrophobicContact CG-CD2 4.09Å; P112-Y115 CarbonylContact O-C 3.55Å; P112-Y115 WeakPolarHBondContact O-CA 3.29Å; P112-Y115 PolarHBondContact O-N 3.25Å; E113-Y115 PolarHBondContact O-N 3.04Å; E113-Y115 VanDerWaalsContact O-N 3.11Å; Y115-E159 PolarHBondContact OH-OE2 3.22Å; Y115-K162 HydrophobicContact CD1-CB 4.47Å; Y115-K162 HydrophobicContact CD2-CB 4.47Å; Y115-K162 HydrophobicContact CE1-CB 3.87Å; Y115-K162 HydrophobicContact CE2-CB 3.89Å; Y115-K162 HydrophobicContact CE2-CD 4.02Å; Y115-A163 HydrophobicContact CE1-CB 4.03Å; Y115-L166 HydrophobicContact CD2-CD1 3.69Å; Y115-L166 HydrophobicContact CE2-CD1 4.29Å; Y115-L166 HydrophobicContact CG-CB 4.07Å; Y115-L166 HydrophobicContact CG-CD1 3.92Å; Y115-P167 VanDerWaalsContact O-CA 3.22Å; Y115-P167 WeakPolarHBondContact O-CA 3.48Å
116	G	96.3	Very high	96	Very high	58 Å²	58	33 Å²	33	60%	0.598	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	13.1	173.9	0	0	0	0	0	115.7	P112 E113	P112-G116 PolarHBondContact O-N 3.04Å; E113-G116 PolarHBondContact O-N 3.49Å
117	G	96.8	Very high	95.9	Very high	12 Å²	12	37 Å²	37	12%	0.124	21%	0.208	C	C	.	.	S	Bend	trans	-91.3	-172.2	172.1	0	0	0	0	0	113.9	G108 V111 P112	G108-G117 WeakPolarHBondContact O-CA 3.43Å; V111-G117 CarbonylContact O-C 3.38Å; V111-G117 VanDerWaalsContact O-CA 3.27Å; V111-G117 WeakPolarHBondContact O-CA 3.39Å; P112-G117 PolarHBondContact O-N 2.78Å
118	L	94.8	Very high	95.8	Very high	55 Å²	55	37 Å²	37	29%	0.288	21%	0.208	S	C	.	.			trans	-92.4	-7.2	178.6	-59.8	-176.1	0	0	0	113.9	F70 G108 L109 V111 L120	F70-L118 HydrophobicContact CE1-CD1 3.92Å; F70-L118 HydrophobicContact CE2-CD1 4.12Å; F70-L118 HydrophobicContact CZ-CD1 3.6Å; G108-L118 PolarHBondContact O-N 3.33Å; L109-L118 HydrophobicContact CD2-CD1 3.63Å; V111-L118 PolarHBondContact O-N 2.98Å; L118-L120 HydrophobicContact CB-CD1 4.42Å; L118-L120 HydrophobicContact CB-CD2 4.21Å; L118-L120 HydrophobicContact CB-CG 3.84Å; L118-L120 HydrophobicContact CD1-CD1 4.36Å; L118-L120 PolarHBondContact O-N 3.09Å; L118-L120 VanDerWaalsContact O-N 3.09Å
119	G	94.1	Very high	95.7	Very high	39 Å²	39	37.5 Å²	37.5	40%	0.402	21%	0.214	S	C	.	.			trans	61.7	20.1	176.2	0	0	0	0	0	115.6	L109 V111 S121	L109-G119 PolarHBondContact O-N 2.87Å; V111-G119 WeakPolarHBondContact O-CA 3.48Å; V111-G119 PolarHBondContact O-N 2.7Å; G119-S121 PolarHBondContact O-N 3.11Å
120	L	94.1	Very high	95.7	Very high	34 Å²	34	38 Å²	38	18%	0.178	22%	0.216	C	C	.	.			trans	-66.4	136.2	-170.9	-60.3	-174.4	0	0	0	112.5	I67 L109 L118 M124 L128	I67-L120 HydrophobicContact CD1-CD1 4.29Å; I67-L120 HydrophobicContact CD1-CD2 4.5Å; L109-L120 HydrophobicContact CB-CD1 4.19Å; L109-L120 HydrophobicContact CD2-CD1 4.21Å; L109-L120 WeakPolarHBondContact O-CB 3.27Å; L109-L120 VanDerWaalsContact O-CG 3.27Å; L109-L120 WeakPolarHBondContact O-CG 3.47Å; L109-L120 PolarHBondContact O-N 3.38Å; L118-L120 HydrophobicContact CB-CD1 4.42Å; L118-L120 HydrophobicContact CB-CD2 4.21Å; L118-L120 HydrophobicContact CB-CG 3.84Å; L118-L120 HydrophobicContact CD1-CD1 4.36Å; L118-L120 PolarHBondContact O-N 3.09Å; L118-L120 VanDerWaalsContact O-N 3.09Å; L120-M124 HydrophobicContact CB-CB 3.9Å; L120-M124 HydrophobicContact CD1-CB 4.39Å; L120-M124 HydrophobicContact CD2-CB 4.1Å; L120-M124 HydrophobicContact CG-CB 4.35Å; L120-L128 HydrophobicContact CD1-CD1 3.37Å
121	S	93.5	Very high	95.7	Very high	26 Å²	26	37.2 Å²	37.2	18%	0.182	21%	0.212	C	C	.	.			trans	-61.1	165.8	167.8	67.7	0	0	0	0	111.5	G119 T123 M124 Y125	G119-S121 PolarHBondContact O-N 3.11Å; S121-T123 PolarHBondContact O-N 3.28Å; S121-M124 PolarHBondContact O-N 2.81Å; S121-M124 WeakPolarHBondContact OG-CG 3.41Å; S121-M124 PolarHBondContact OG-N 2.78Å; S121-Y125 VanDerWaalsContact O-CB 3.31Å; S121-Y125 WeakPolarHBondContact O-CB 3.26Å; S121-Y125 PolarHBondContact O-N 3.14Å
122	N	94.3	Very high	95.7	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.16	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-34.7	177.7	-64.9	-69.1	0	0	0	111.4	Q110 S126 F305 A364 L367 D368	Q110-N122 PolarHBondContact NE2-OD1 3.35Å; Q110-N122 VanDerWaalsContact NE2-OD1 3.14Å; N122-S126 WeakPolarHBondContact O-CB 3.31Å; N122-S126 PolarHBondContact O-N 3.14Å; N122-S126 PolarHBondContact O-OG 3.22Å; N122-F305 HydrophobicContact CB-CE1 4.25Å; N122-F305 HydrophobicContact CB-CE2 3.89Å; N122-F305 HydrophobicContact CB-CZ 3.44Å; N122-F305 VanDerWaalsContact CB-CZ 3.44Å; N122-F305 WeakPolarHBondContact OD1-CZ 3.35Å; N122-A364 HydrophobicContact CB-CB 4.08Å; N122-L367 HydrophobicContact CB-CB 4.42Å; N122-D368 WeakPolarHBondContact CB-OD1 3.36Å; N122-D368 PolarHBondContact N-OD1 3.03Å; N122-D368 PolarHBondContact N-OD2 2.92Å; N122-D368 PolarHBondContact ND2-OD1 3.24Å
123	T	95.4	Very high	95.5	Very high	14 Å²	14	36 Å²	36	9%	0.086	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-45.1	175.6	-58.4	0	0	0	0	111.7	V59 S121 S126 R127 Y361 D368	V59-T123 HydrophobicContact CG1-CG2 3.64Å; S121-T123 PolarHBondContact O-N 3.28Å; T123-S126 WeakPolarHBondContact O-CB 3.33Å; T123-S126 PolarHBondContact O-N 2.81Å; T123-R127 PolarHBondContact O-N 3.01Å; T123-R127 VanDerWaalsContact O-N 3.13Å; T123-Y361 HydrophobicContact CG2-CD1 3.83Å; T123-Y361 HydrophobicContact CG2-CE1 3.89Å; T123-D368 VanDerWaalsContact CB-OD2 3.26Å; T123-D368 WeakPolarHBondContact CB-OD2 3.44Å; T123-D368 PolarHBondContact N-OD2 2.81Å; T123-D368 PolarHBondContact OG1-OD2 2.81Å
124	M	95.3	Very high	95.4	Very high	11 Å²	11	32 Å²	32	5%	0.054	19%	0.186	C	C	.	.	H	α-helix	trans	-68.2	-41.6	177.5	-68.4	-51.2	117.2	0	0	112.5	V59 I67 L120 S121 S126 R127 L128	V59-M124 HydrophobicContact CB-CE 3.85Å; V59-M124 HydrophobicContact CG1-CE 3.54Å; V59-M124 HydrophobicContact CG2-CE 3.59Å; I67-M124 HydrophobicContact CB-SD 3.38Å; I67-M124 WeakPolarHBondContact CB-SD 3.4Å; I67-M124 HydrophobicContact CD1-CB 4.23Å; I67-M124 HydrophobicContact CD1-SD 4.26Å; I67-M124 HydrophobicContact CG1-SD 3.65Å; I67-M124 HydrophobicContact CG2-CE 4.49Å; I67-M124 HydrophobicContact CG2-SD 3.44Å; I67-M124 WeakPolarHBondContact CG2-SD 3.48Å; L120-M124 HydrophobicContact CB-CB 3.9Å; L120-M124 HydrophobicContact CD1-CB 4.39Å; L120-M124 HydrophobicContact CD2-CB 4.1Å; L120-M124 HydrophobicContact CG-CB 4.35Å; S121-M124 PolarHBondContact O-N 2.81Å; S121-M124 WeakPolarHBondContact OG-CG 3.41Å; S121-M124 PolarHBondContact OG-N 2.78Å; M124-S126 VanDerWaalsContact C-N 3.28Å; M124-S126 PolarHBondContact O-N 2.85Å; M124-R127 PolarHBondContact O-N 3.2Å; M124-R127 VanDerWaalsContact O-N 3.17Å; M124-L128 PolarHBondContact O-N 3.07Å
125	Y	94.9	Very high	95.4	Very high	18 Å²	18	24.8 Å²	24.8	7%	0.071	15%	0.153	C	C	.	.	H	α-helix	trans	-56.5	-43.3	171.7	177	-109.1	0	0	0	111.6	L109 Q110 S121 R127 L128 G129 Q146 F305	L109-Y125 HydrophobicContact CB-CD2 3.85Å; L109-Y125 HydrophobicContact CB-CE2 4.27Å; L109-Y125 HydrophobicContact CD1-CD2 3.73Å; L109-Y125 HydrophobicContact CD1-CE2 3.76Å; L109-Y125 HydrophobicContact CG-CD2 4.42Å; Q110-Y125 HydrophobicContact CG-CD2 3.73Å; Q110-Y125 HydrophobicContact CG-CE2 4.42Å; Q110-Y125 HydrophobicContact CG-CG 3.83Å; S121-Y125 VanDerWaalsContact O-CB 3.31Å; S121-Y125 WeakPolarHBondContact O-CB 3.26Å; S121-Y125 PolarHBondContact O-N 3.14Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-R127 PolarHBondContact O-N 2.8Å; Y125-L128 PolarHBondContact O-N 2.81Å; Y125-G129 PolarHBondContact O-N 3.08Å; Y125-Q146 HydrophobicContact CE2-CG 4.1Å; Y125-Q146 VanDerWaalsContact CE2-OE1 3.28Å; Y125-F305 HydrophobicContact CD1-CZ 4.48Å
126	S	95.9	Very high	95.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-42.2	176.9	-62	0	0	0	0	112.2	N122 T123 M124 L128 G129 E130 F305 S309	N122-S126 WeakPolarHBondContact O-CB 3.31Å; N122-S126 PolarHBondContact O-N 3.14Å; N122-S126 PolarHBondContact O-OG 3.22Å; T123-S126 WeakPolarHBondContact O-CB 3.33Å; T123-S126 PolarHBondContact O-N 2.81Å; M124-S126 VanDerWaalsContact C-N 3.28Å; M124-S126 PolarHBondContact O-N 2.85Å; S126-L128 PolarHBondContact O-N 2.65Å; S126-G129 PolarHBondContact O-N 3.17Å; S126-G129 VanDerWaalsContact O-N 3.15Å; S126-E130 WeakPolarHBondContact O-CG 3.17Å; S126-E130 PolarHBondContact O-N 3.46Å; S126-F305 WeakPolarHBondContact OG-CE2 3.22Å; S126-S309 WeakPolarHBondContact CA-OG 3.45Å; S126-S309 VanDerWaalsContact O-CB 3.23Å; S126-S309 WeakPolarHBondContact O-CB 3.35Å; S126-S309 PolarHBondContact O-OG 2.83Å
127	R	95.8	Very high	95.5	Very high	85 Å²	85	21.9 Å²	21.9	32%	0.321	13%	0.13	S	C	.	.	H	α-helix	trans	-63.2	-40.7	-179.3	-176.8	59	-178.6	135	8.7	112.8	I67 L71 T123 M124 Y125 E130 Y361	I67-R127 HydrophobicContact CG1-CG 4.39Å; L71-R127 HydrophobicContact CD1-CG 3.95Å; L71-R127 HydrophobicContact CD2-CG 3.9Å; T123-R127 PolarHBondContact O-N 3.01Å; T123-R127 VanDerWaalsContact O-N 3.13Å; M124-R127 PolarHBondContact O-N 3.2Å; M124-R127 VanDerWaalsContact O-N 3.17Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-R127 PolarHBondContact O-N 2.8Å; R127-E130 IonicContact CZ-OE2 3.41Å; R127-E130 IonicContact NH1-OE2 2.84Å; R127-E130 PolarHBondContact NH1-OE2 3.4Å; R127-E130 PolarHBondContact O-N 3.33Å; R127-Y361 WeakPolarHBondContact CA-OH 3.31Å; R127-Y361 WeakPolarHBondContact CB-OH 3.38Å; R127-Y361 WeakPolarHBondContact CD-OH 3.46Å; R127-Y361 PolarHBondContact N-OH 3.47Å
128	L	95.4	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69	-36.8	172.7	-81.8	165.2	0	0	0	112.6	I67 F70 L71 V74 L109 L120 M124 Y125 S126 E130 I131 I132	I67-L128 HydrophobicContact CD1-CD1 3.96Å; I67-L128 HydrophobicContact CD1-CG 4.04Å; F70-L128 HydrophobicContact CD1-CD1 3.66Å; F70-L128 HydrophobicContact CD1-CD2 3.61Å; F70-L128 HydrophobicContact CD1-CG 4.14Å; F70-L128 HydrophobicContact CE1-CD1 3.5Å; F70-L128 HydrophobicContact CE1-CD2 3.67Å; F70-L128 HydrophobicContact CE1-CG 4.21Å; L71-L128 HydrophobicContact CD2-CD2 3.87Å; L71-L128 HydrophobicContact CD2-CG 4.2Å; V74-L128 HydrophobicContact CB-CD2 4.32Å; V74-L128 HydrophobicContact CG1-CD2 4.22Å; V74-L128 HydrophobicContact CG2-CD2 4.09Å; L109-L128 HydrophobicContact CD1-CB 4.44Å; L109-L128 HydrophobicContact CD1-CD1 4.27Å; L109-L128 HydrophobicContact CD2-CD1 3.75Å; L120-L128 HydrophobicContact CD1-CD1 3.37Å; M124-L128 PolarHBondContact O-N 3.07Å; Y125-L128 PolarHBondContact O-N 2.81Å; S126-L128 PolarHBondContact O-N 2.65Å; L128-E130 PolarHBondContact O-N 3.12Å; L128-I131 PolarHBondContact O-N 3.45Å; L128-I132 HydrophobicContact CB-CD1 4.32Å; L128-I132 WeakPolarHBondContact O-CG1 3.28Å; L128-I132 PolarHBondContact O-N 2.7Å
129	G	95.3	Very high	95.7	Very high	12 Å²	12	20 Å²	20	12%	0.124	12%	0.118	C	C	.	.	H	α-helix	trans	-54.1	-35.2	175.2	0	0	0	0	0	113	Y125 S126 I131 I132 S133	Y125-G129 PolarHBondContact O-N 3.08Å; S126-G129 PolarHBondContact O-N 3.17Å; S126-G129 VanDerWaalsContact O-N 3.15Å; G129-I131 VanDerWaalsContact C-N 3.29Å; G129-I131 PolarHBondContact O-N 3.36Å; G129-I132 PolarHBondContact O-N 2.82Å; G129-S133 WeakPolarHBondContact O-CB 3.44Å; G129-S133 PolarHBondContact O-N 3.28Å
130	E	96.3	Very high	95.9	Very high	11 Å²	11	18.8 Å²	18.8	5%	0.051	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-35.6	176.2	-53.5	-163.2	126.2	0	0	112.7	S126 R127 L128 S133 G313 K316	S126-E130 WeakPolarHBondContact O-CG 3.17Å; S126-E130 PolarHBondContact O-N 3.46Å; R127-E130 IonicContact CZ-OE2 3.41Å; R127-E130 IonicContact NH1-OE2 2.84Å; R127-E130 PolarHBondContact NH1-OE2 3.4Å; R127-E130 PolarHBondContact O-N 3.33Å; L128-E130 PolarHBondContact O-N 3.12Å; E130-S133 PolarHBondContact O-OG 3.43Å; E130-G313 WeakPolarHBondContact O-CA 3.43Å; E130-K316 VanDerWaalsContact CD-NZ 3.34Å; E130-K316 IonicContact OE1-NZ 3.67Å; E130-K316 PolarHBondContact OE1-NZ 3.45Å; E130-K316 IonicContact OE2-NZ 2.71Å; E130-K316 PolarHBondContact OE2-NZ 2.73Å
131	I	96.1	Very high	96.1	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.036	10%	0.095	C	C	.	.	H	α-helix	trans	-80.5	-46.1	179.1	-59.3	173	0	0	0	110.2	L71 V74 E75 F78 L128 G129 S133 M134	L71-I131 HydrophobicContact CB-CD1 3.95Å; L71-I131 HydrophobicContact CD2-CD1 3.62Å; L71-I131 HydrophobicContact CG-CD1 4.25Å; V74-I131 HydrophobicContact CG1-CB 4.47Å; V74-I131 HydrophobicContact CG1-CG2 3.89Å; E75-I131 HydrophobicContact CB-CD1 4.26Å; E75-I131 HydrophobicContact CB-CG2 4.15Å; F78-I131 HydrophobicContact CB-CG2 4.39Å; F78-I131 HydrophobicContact CD2-CG2 4.16Å; F78-I131 HydrophobicContact CG-CG2 4.47Å; L128-I131 PolarHBondContact O-N 3.45Å; G129-I131 VanDerWaalsContact C-N 3.29Å; G129-I131 PolarHBondContact O-N 3.36Å; I131-S133 PolarHBondContact O-N 3Å; I131-S133 VanDerWaalsContact O-N 3.13Å; I131-M134 HydrophobicContact CG2-CE 4.02Å; I131-M134 VanDerWaalsContact O-CG 3.25Å; I131-M134 WeakPolarHBondContact O-CG 3.39Å; I131-M134 PolarHBondContact O-N 2.9Å; I131-M134 VanDerWaalsContact O-N 3.17Å
132	I	95.8	Very high	96.3	Very high	9 Å²	9	16 Å²	16	5%	0.046	9%	0.086	C	C	.	.	H	α-helix	trans	-58.1	-31.9	-178.7	-67.1	167	0	0	0	111.3	F78 L109 L128 G129 M134 D135 I138 T139 L142	F78-I132 HydrophobicContact CE1-CG2 4.42Å; F78-I132 VanDerWaalsContact CE1-O 3.29Å; F78-I132 WeakPolarHBondContact CE1-O 3.17Å; F78-I132 HydrophobicContact CE2-CB 4.4Å; F78-I132 HydrophobicContact CE2-CG1 3.92Å; F78-I132 HydrophobicContact CZ-CB 4.01Å; F78-I132 HydrophobicContact CZ-CG1 3.93Å; F78-I132 HydrophobicContact CZ-CG2 3.95Å; L109-I132 HydrophobicContact CD1-CD1 4.1Å; L128-I132 HydrophobicContact CB-CD1 4.32Å; L128-I132 WeakPolarHBondContact O-CG1 3.28Å; L128-I132 PolarHBondContact O-N 2.7Å; G129-I132 PolarHBondContact O-N 2.82Å; I132-M134 PolarHBondContact O-N 3.49Å; I132-D135 PolarHBondContact O-N 3.4Å; I132-I138 HydrophobicContact CG2-CG2 4.39Å; I132-T139 PolarHBondContact O-OG1 2.93Å; I132-L142 HydrophobicContact CD1-CD1 4.26Å; I132-L142 HydrophobicContact CG2-CD1 3.9Å
133	S	94.4	Very high	96.4	Very high	9 Å²	9	16 Å²	16	6%	0.063	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-9.4	179.2	76.2	0	0	0	0	116.6	G129 E130 I131 D135 T139 A310 M314	G129-S133 WeakPolarHBondContact O-CB 3.44Å; G129-S133 PolarHBondContact O-N 3.28Å; E130-S133 PolarHBondContact O-OG 3.43Å; I131-S133 PolarHBondContact O-N 3Å; I131-S133 VanDerWaalsContact O-N 3.13Å; S133-D135 PolarHBondContact O-N 2.88Å; S133-T139 VanDerWaalsContact CA-OG1 3.26Å; S133-T139 WeakPolarHBondContact CA-OG1 3.36Å; S133-T139 PolarHBondContact N-OG1 3.26Å; S133-A310 WeakPolarHBondContact CB-O 3.49Å; S133-A310 PolarHBondContact OG-O 3.38Å; S133-M314 PolarHBondContact OG-N 2.84Å
134	M	93.6	Very high	96.5	Very high	63 Å²	63	15.6 Å²	15.6	31%	0.31	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.6	173.9	-68.9	-178.1	-158.9	0	0	112.4	E75 F78 T79 I131 I132	E75-M134 HydrophobicContact CG-CE 4.43Å; F78-M134 HydrophobicContact CB-CB 4.35Å; F78-M134 HydrophobicContact CB-SD 3.72Å; F78-M134 HydrophobicContact CD1-CB 4.15Å; T79-M134 HydrophobicContact CG2-CE 4.1Å; T79-M134 HydrophobicContact CG2-SD 3.82Å; I131-M134 HydrophobicContact CG2-CE 4.02Å; I131-M134 VanDerWaalsContact O-CG 3.25Å; I131-M134 WeakPolarHBondContact O-CG 3.39Å; I131-M134 PolarHBondContact O-N 2.9Å; I131-M134 VanDerWaalsContact O-N 3.17Å; I132-M134 PolarHBondContact O-N 3.49Å
135	D	97.9	Very high	96.6	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	9%	0.086	C	C	.	.	S	Bend	trans	-124.9	119.3	169.4	-171.4	-77.7	0	0	0	111.8	V82 S84 I132 S133 S137 I138 T139	V82-D135 HydrophobicContact CG1-CB 4.14Å; S84-D135 VanDerWaalsContact CA-OD2 3.26Å; S84-D135 WeakPolarHBondContact CA-OD2 3.34Å; S84-D135 WeakPolarHBondContact CB-OD2 3.47Å; S84-D135 PolarHBondContact OG-OD2 2.75Å; I132-D135 PolarHBondContact O-N 3.4Å; S133-D135 PolarHBondContact O-N 2.88Å; D135-S137 VanDerWaalsContact C-N 3.34Å; D135-S137 PolarHBondContact O-N 2.82Å; D135-S137 WeakPolarHBondContact OD1-CA 3.47Å; D135-S137 VanDerWaalsContact OD1-CB 3.28Å; D135-S137 WeakPolarHBondContact OD1-CB 3.42Å; D135-S137 PolarHBondContact OD1-N 3.12Å; D135-I138 HydrophobicContact CB-CB 4.15Å; D135-I138 HydrophobicContact CB-CD1 3.98Å; D135-I138 HydrophobicContact CB-CG1 4.15Å; D135-I138 PolarHBondContact OD1-N 2.91Å; D135-T139 WeakPolarHBondContact O-CB 3.29Å; D135-T139 PolarHBondContact O-N 2.96Å; D135-T139 PolarHBondContact O-OG1 3.44Å
136	G	97.3	Very high	96.6	Very high	20 Å²	20	14.5 Å²	14.5	21%	0.206	8%	0.084	C	C	.	.	H	α-helix	trans	-65.9	-33.1	-178.2	0	0	0	0	0	113.9	V140	G136-V140 WeakPolarHBondContact O-CB 3.45Å; G136-V140 WeakPolarHBondContact O-CG2 3.22Å; G136-V140 PolarHBondContact O-N 3.13Å
137	S	98.4	Very high	96.4	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-72.3	-43.4	-179.1	-61.1	0	0	0	0	111.5	D135 T141 I265 G267	D135-S137 VanDerWaalsContact C-N 3.34Å; D135-S137 PolarHBondContact O-N 2.82Å; D135-S137 WeakPolarHBondContact OD1-CA 3.47Å; D135-S137 VanDerWaalsContact OD1-CB 3.28Å; D135-S137 WeakPolarHBondContact OD1-CB 3.42Å; D135-S137 PolarHBondContact OD1-N 3.12Å; S137-T141 WeakPolarHBondContact O-CB 3.4Å; S137-T141 PolarHBondContact O-N 2.92Å; S137-T141 PolarHBondContact O-OG1 3.06Å; S137-I265 WeakPolarHBondContact OG-CA 3.39Å; S137-G267 WeakPolarHBondContact OG-CA 3.26Å; S137-G267 PolarHBondContact OG-N 3.16Å
138	I	98.6	Very high	96.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-46.8	173.9	-66	175.2	0	0	0	110.1	F78 V82 I87 I93 T97 L101 I132 D135 V140 T141 L142	F78-I138 HydrophobicContact CE1-CB 4.33Å; F78-I138 HydrophobicContact CE1-CD1 4.07Å; F78-I138 HydrophobicContact CE1-CG2 3.9Å; F78-I138 HydrophobicContact CZ-CG2 3.78Å; V82-I138 HydrophobicContact CG1-CD1 3.72Å; V82-I138 HydrophobicContact CG2-CD1 4Å; I87-I138 HydrophobicContact CD1-CD1 3.99Å; I87-I138 HydrophobicContact CD1-CG1 4.29Å; I93-I138 HydrophobicContact CD1-CG1 3.93Å; I93-I138 HydrophobicContact CG1-CG1 4.23Å; I93-I138 HydrophobicContact CG2-CG1 4.38Å; T97-I138 HydrophobicContact CG2-CD1 3.83Å; L101-I138 HydrophobicContact CD1-CG1 4.41Å; L101-I138 HydrophobicContact CD1-CG2 3.67Å; L101-I138 HydrophobicContact CD2-CG2 3.92Å; L101-I138 HydrophobicContact CG-CG2 4.47Å; I132-I138 HydrophobicContact CG2-CG2 4.39Å; D135-I138 HydrophobicContact CB-CB 4.15Å; D135-I138 HydrophobicContact CB-CD1 3.98Å; D135-I138 HydrophobicContact CB-CG1 4.15Å; D135-I138 PolarHBondContact OD1-N 2.91Å; I138-V140 VanDerWaalsContact C-N 3.35Å; I138-V140 PolarHBondContact O-N 3.36Å; I138-T141 PolarHBondContact O-N 2.6Å; I138-L142 HydrophobicContact CG2-CD1 3.89Å; I138-L142 HydrophobicContact CG2-CG 4.32Å; I138-L142 WeakPolarHBondContact O-CG 3.45Å; I138-L142 PolarHBondContact O-N 2.93Å
139	T	97.8	Very high	96.5	Very high	26 Å²	26	11.7 Å²	11.7	16%	0.16	8%	0.076	C	C	.	.	H	α-helix	trans	-55	-49.6	178.8	-59.9	0	0	0	0	111.7	I132 S133 D135 L142 A143 A310	I132-T139 PolarHBondContact O-OG1 2.93Å; S133-T139 VanDerWaalsContact CA-OG1 3.26Å; S133-T139 WeakPolarHBondContact CA-OG1 3.36Å; S133-T139 PolarHBondContact N-OG1 3.26Å; D135-T139 WeakPolarHBondContact O-CB 3.29Å; D135-T139 PolarHBondContact O-N 2.96Å; D135-T139 PolarHBondContact O-OG1 3.44Å; T139-L142 PolarHBondContact O-N 3.47Å; T139-A143 WeakPolarHBondContact O-CB 3.39Å; T139-A143 PolarHBondContact O-N 3.3Å; T139-A310 HydrophobicContact CG2-CB 4.17Å
140	V	97.6	Very high	96.6	Very high	14 Å²	14	11.1 Å²	11.1	9%	0.085	7%	0.071	C	C	.	.	H	α-helix	trans	-68.8	-37.1	-178.8	171.4	0	0	0	0	111.8	G136 I138 A143 A144 T215 I265 F425	G136-V140 WeakPolarHBondContact O-CB 3.45Å; G136-V140 WeakPolarHBondContact O-CG2 3.22Å; G136-V140 PolarHBondContact O-N 3.13Å; I138-V140 VanDerWaalsContact C-N 3.35Å; I138-V140 PolarHBondContact O-N 3.36Å; V140-A143 PolarHBondContact O-N 2.94Å; V140-A144 WeakPolarHBondContact O-CB 3.5Å; V140-A144 PolarHBondContact O-N 2.9Å; V140-T215 HydrophobicContact CG1-CG2 3.86Å; V140-I265 HydrophobicContact CB-CD1 4.46Å; V140-I265 HydrophobicContact CG1-CD1 4.13Å; V140-I265 HydrophobicContact CG2-CD1 4.17Å; V140-I265 HydrophobicContact CG2-CG2 4.28Å; V140-F425 HydrophobicContact CG1-CE2 4.42Å; V140-F425 HydrophobicContact CG2-CE2 4.16Å; V140-F425 HydrophobicContact CG2-CZ 4.41Å
141	T	98.6	Very high	96.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.5	-48.5	175.6	-62.3	0	0	0	0	111.4	I93 S137 I138 H145 N216	I93-T141 HydrophobicContact CD1-CG2 4.14Å; I93-T141 WeakPolarHBondContact CD1-OG1 3.44Å; S137-T141 WeakPolarHBondContact O-CB 3.4Å; S137-T141 PolarHBondContact O-N 2.92Å; S137-T141 PolarHBondContact O-OG1 3.06Å; I138-T141 PolarHBondContact O-N 2.6Å; T141-H145 PolarHBondContact O-N 3.33Å; T141-H145 VanDerWaalsContact O-N 3.15Å; T141-N216 PolarHBondContact O-ND2 3.38Å
142	L	98.1	Very high	96.6	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-68.6	-42.9	178.7	-70.7	178.4	0	0	0	111.9	L101 L106 F107 I132 I138 T139 H145 Q146	L101-L142 HydrophobicContact CD2-CD1 4.29Å; L106-L142 HydrophobicContact CB-CD1 4.12Å; L106-L142 HydrophobicContact CB-CD2 4.48Å; F107-L142 HydrophobicContact CD1-CD2 4.24Å; F107-L142 HydrophobicContact CD2-CD2 3.86Å; F107-L142 HydrophobicContact CE1-CD2 4.11Å; F107-L142 HydrophobicContact CE2-CD2 3.74Å; F107-L142 HydrophobicContact CG-CD2 4.11Å; F107-L142 HydrophobicContact CZ-CD2 3.87Å; I132-L142 HydrophobicContact CD1-CD1 4.26Å; I132-L142 HydrophobicContact CG2-CD1 3.9Å; I138-L142 HydrophobicContact CG2-CD1 3.89Å; I138-L142 HydrophobicContact CG2-CG 4.32Å; I138-L142 WeakPolarHBondContact O-CG 3.45Å; I138-L142 PolarHBondContact O-N 2.93Å; T139-L142 PolarHBondContact O-N 3.47Å; L142-H145 PolarHBondContact O-N 3.05Å; L142-Q146 VanDerWaalsContact O-CG 3.26Å; L142-Q146 WeakPolarHBondContact O-CG 3.32Å; L142-Q146 PolarHBondContact O-N 3.35Å; L142-Q146 PolarHBondContact O-NE2 3.19Å
143	A	95.9	Very high	96.7	Very high	31 Å²	31	10.4 Å²	10.4	26%	0.256	7%	0.067	S	C	.	.	H	α-helix	trans	-63.1	-43.6	177.6	0	0	0	0	0	111.5	T139 V140 H145 Q146 A147 I148	T139-A143 WeakPolarHBondContact O-CB 3.39Å; T139-A143 PolarHBondContact O-N 3.3Å; V140-A143 PolarHBondContact O-N 2.94Å; A143-H145 VanDerWaalsContact C-N 3.28Å; A143-H145 PolarHBondContact O-N 3.46Å; A143-Q146 PolarHBondContact O-N 3.03Å; A143-A147 HydrophobicContact CB-CB 4.47Å; A143-A147 WeakPolarHBondContact O-CA 3.17Å; A143-A147 WeakPolarHBondContact O-CB 3.28Å; A143-A147 PolarHBondContact O-N 3.02Å; A143-I148 PolarHBondContact O-N 2.72Å
144	A	97.1	Very high	96.8	Very high	5 Å²	5	11.7 Å²	11.7	4%	0.041	7%	0.073	C	C	.	.	I	π-helix	trans	-61.4	-37.9	176.1	0	0	0	0	0	112.4	V140 I148 G149 T215	V140-A144 WeakPolarHBondContact O-CB 3.5Å; V140-A144 PolarHBondContact O-N 2.9Å; A144-I148 WeakPolarHBondContact O-CG1 3.45Å; A144-G149 VanDerWaalsContact O-CA 3.23Å; A144-G149 WeakPolarHBondContact O-CA 3.47Å; A144-G149 PolarHBondContact O-N 2.76Å; A144-T215 HydrophobicContact CB-CG2 3.27Å
145	H	98.4	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-65.9	-52.9	174	171.3	77.9	0	0	0	111.9	F107 T141 L142 A143 G149 L150 L169 H174 A176	F107-H145 HydrophobicContact CD1-CB 4.43Å; F107-H145 AromaticContact CD1-CD2 3.51Å; F107-H145 AromaticContact CD1-CE1 3.91Å; F107-H145 AromaticContact CD1-CG 3.77Å; F107-H145 AromaticContact CD1-NE2 3.63Å; F107-H145 PolarHBondContact O-CD2 3.12Å; F107-H145 PolarHBondContact O-NE2 3.15Å; F107-H145 VanDerWaalsContact O-NE2 3.08Å; T141-H145 PolarHBondContact O-N 3.33Å; T141-H145 VanDerWaalsContact O-N 3.15Å; L142-H145 PolarHBondContact O-N 3.05Å; A143-H145 VanDerWaalsContact C-N 3.28Å; A143-H145 PolarHBondContact O-N 3.46Å; H145-G149 CarbonylContact O-C 3.58Å; H145-G149 WeakPolarHBondContact O-CA 3.4Å; H145-G149 PolarHBondContact O-N 3.37Å; H145-L150 VanDerWaalsContact NE2-CD2 3.34Å; H145-L150 WeakPolarHBondContact NE2-CD2 3.4Å; H145-L150 WeakPolarHBondContact O-CD2 3.49Å; H145-L150 WeakPolarHBondContact O-CG 3.43Å; H145-L150 PolarHBondContact O-N 3.21Å; H145-L169 PolarHBondContact CE1-O 3.48Å; H145-L169 VanDerWaalsContact CE1-O 3.32Å; H145-L169 PolarHBondContact NE2-O 3.25Å; H145-H174 PolarHBondContact CE1-O 2.84Å; H145-A176 PolarHBondContact ND1-N 2.82Å
146	Q	93.9	Very high	96.7	Very high	5 Å²	5	14.5 Å²	14.5	2%	0.023	9%	0.093	C	C	.	.	I	π-helix	trans	-101.4	-39.4	-165.3	76.7	-165.4	-79.6	0	0	115.9	L106 Y125 L142 A143 I148 L150	L106-Q146 PolarHBondContact O-NE2 3.17Å; Y125-Q146 HydrophobicContact CE2-CG 4.1Å; Y125-Q146 VanDerWaalsContact CE2-OE1 3.28Å; L142-Q146 VanDerWaalsContact O-CG 3.26Å; L142-Q146 WeakPolarHBondContact O-CG 3.32Å; L142-Q146 PolarHBondContact O-N 3.35Å; L142-Q146 PolarHBondContact O-NE2 3.19Å; A143-Q146 PolarHBondContact O-N 3.03Å; Q146-I148 VanDerWaalsContact C-N 3.35Å; Q146-L150 HydrophobicContact CB-CD2 4.07Å
147	A	92.4	Very high	96.7	Very high	7 Å²	7	14 Å²	14	6%	0.058	9%	0.088	C	C	.	.	I	π-helix	trans	-75.7	-28.3	-176.7	0	0	0	0	0	111.6	A143 K151	A143-A147 HydrophobicContact CB-CB 4.47Å; A143-A147 WeakPolarHBondContact O-CA 3.17Å; A143-A147 WeakPolarHBondContact O-CB 3.28Å; A143-A147 PolarHBondContact O-N 3.02Å; A147-K151 VanDerWaalsContact O-CB 3.23Å; A147-K151 WeakPolarHBondContact O-CB 3.46Å; A147-K151 WeakPolarHBondContact O-CG 3.36Å
148	I	95.5	Very high	96.7	Very high	18 Å²	18	17.1 Å²	17.1	9%	0.092	11%	0.107	C	C	.	.	I	π-helix	trans	-128.8	-42.5	-179.3	60.2	178.2	0	0	0	114.4	A143 A144 Q146 F178 I299 L300	A143-I148 PolarHBondContact O-N 2.72Å; A144-I148 WeakPolarHBondContact O-CG1 3.45Å; Q146-I148 VanDerWaalsContact C-N 3.35Å; I148-F178 HydrophobicContact CB-CB 3.96Å; I148-F178 HydrophobicContact CB-CD2 4.04Å; I148-F178 HydrophobicContact CB-CG 3.98Å; I148-F178 HydrophobicContact CD1-CB 3.75Å; I148-F178 HydrophobicContact CD1-CD1 4.25Å; I148-F178 HydrophobicContact CD1-CG 4.14Å; I148-F178 HydrophobicContact CG1-CB 3.7Å; I148-F178 HydrophobicContact CG1-CG 4.2Å; I148-F178 WeakPolarHBondContact O-CD2 3.47Å; I148-I299 HydrophobicContact CB-CG2 3.9Å; I148-I299 HydrophobicContact CG2-CG2 3.9Å; I148-L300 HydrophobicContact CG2-CD2 4.41Å
149	G	97.3	Very high	96.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	13%	0.128	C	C	.	.	I	π-helix	trans	-63.2	-59.1	-172.1	0	0	0	0	0	113.5	A144 H145 T224	A144-G149 VanDerWaalsContact O-CA 3.23Å; A144-G149 WeakPolarHBondContact O-CA 3.47Å; A144-G149 PolarHBondContact O-N 2.76Å; H145-G149 CarbonylContact O-C 3.58Å; H145-G149 WeakPolarHBondContact O-CA 3.4Å; H145-G149 PolarHBondContact O-N 3.37Å; G149-T224 WeakPolarHBondContact O-CB 3.5Å; G149-T224 PolarHBondContact O-OG1 3.42Å
150	L	97.1	Very high	96.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-12.5	177.4	69.9	89.5	0	0	0	113.5	V111 H145 Q146 G152 I153 I154 L166 L169 A176	V111-L150 HydrophobicContact CG2-CD1 3.89Å; V111-L150 HydrophobicContact CG2-CD2 4.34Å; H145-L150 VanDerWaalsContact NE2-CD2 3.34Å; H145-L150 WeakPolarHBondContact NE2-CD2 3.4Å; H145-L150 WeakPolarHBondContact O-CD2 3.49Å; H145-L150 WeakPolarHBondContact O-CG 3.43Å; H145-L150 PolarHBondContact O-N 3.21Å; Q146-L150 HydrophobicContact CB-CD2 4.07Å; L150-G152 PolarHBondContact O-N 3.46Å; L150-G152 VanDerWaalsContact O-N 3.16Å; L150-I153 WeakPolarHBondContact O-CB 3.45Å; L150-I153 PolarHBondContact O-N 3.48Å; L150-I154 HydrophobicContact CD1-CD1 3.28Å; L150-I154 HydrophobicContact CD1-CG1 3.75Å; L150-I154 PolarHBondContact O-N 3.21Å; L150-L166 HydrophobicContact CD1-CD2 4.25Å; L150-L169 HydrophobicContact CB-CD1 3.8Å; L150-L169 HydrophobicContact CD2-CB 4.16Å; L150-A176 HydrophobicContact CB-CB 4.32Å
151	K	96.4	Very high	96.8	Very high	12 Å²	12	27 Å²	27	5%	0.052	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-35.8	-173.2	-177.8	61.8	63.1	170.9	0	112.5	A147 I153 I154 L155 I299 S302	A147-K151 VanDerWaalsContact O-CB 3.23Å; A147-K151 WeakPolarHBondContact O-CB 3.46Å; A147-K151 WeakPolarHBondContact O-CG 3.36Å; K151-I153 VanDerWaalsContact C-N 3.28Å; K151-I153 PolarHBondContact O-N 2.73Å; K151-I154 PolarHBondContact O-N 3.18Å; K151-L155 HydrophobicContact CD-CD1 3.95Å; K151-L155 HydrophobicContact CD-CD2 4.42Å; K151-L155 HydrophobicContact CD-CG 3.92Å; K151-L155 HydrophobicContact CG-CD1 3.78Å; K151-L155 HydrophobicContact CG-CG 4.14Å; K151-L155 WeakPolarHBondContact O-CG 3.38Å; K151-L155 PolarHBondContact O-N 3.15Å; K151-I299 HydrophobicContact CB-CG1 4.44Å; K151-I299 HydrophobicContact CB-CG2 4.12Å; K151-I299 HydrophobicContact CG-CG1 4.31Å; K151-I299 HydrophobicContact CG-CG2 4.23Å; K151-S302 WeakPolarHBondContact CG-OG 3.34Å
152	G	96.1	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-40.8	174.8	0	0	0	0	0	112.8	L150 L155 A156 G157 I299	L150-G152 PolarHBondContact O-N 3.46Å; L150-G152 VanDerWaalsContact O-N 3.16Å; G152-L155 PolarHBondContact O-N 3.43Å; G152-A156 WeakPolarHBondContact O-CA 3.5Å; G152-A156 WeakPolarHBondContact O-CB 3.47Å; G152-A156 PolarHBondContact O-N 3.11Å; G152-G157 PolarHBondContact O-N 3.41Å; G152-I299 VanDerWaalsContact CA-CD1 3.5Å
153	I	98.3	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-41.2	178.4	-52.8	178.8	0	0	0	110.2	L150 K151 G157 K162 Y165 L166 L169 I222 I246	L150-I153 WeakPolarHBondContact O-CB 3.45Å; L150-I153 PolarHBondContact O-N 3.48Å; K151-I153 VanDerWaalsContact C-N 3.28Å; K151-I153 PolarHBondContact O-N 2.73Å; I153-G157 WeakPolarHBondContact O-CA 3.4Å; I153-G157 PolarHBondContact O-N 3.03Å; I153-K162 HydrophobicContact CG2-CG 4.29Å; I153-Y165 HydrophobicContact CD1-CD2 4.33Å; I153-Y165 HydrophobicContact CD1-CG 4.26Å; I153-L166 HydrophobicContact CB-CD2 4.21Å; I153-L166 HydrophobicContact CG2-CD2 3.97Å; I153-L166 HydrophobicContact CG2-CG 4.09Å; I153-L169 HydrophobicContact CD1-CD1 3.9Å; I153-I222 HydrophobicContact CD1-CG2 4.46Å; I153-I246 HydrophobicContact CD1-CD1 3.96Å; I153-I246 HydrophobicContact CD1-CG1 4.25Å; I153-I246 HydrophobicContact CD1-CG2 4.28Å; I153-I246 HydrophobicContact CG1-CD1 3.78Å; I153-I246 HydrophobicContact CG1-CG1 4.07Å
154	I	96.2	Very high	96.9	Very high	36 Å²	36	35.2 Å²	35.2	19%	0.185	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-48	174.9	-64.5	179.7	0	0	0	111	V111 L150 K151 L166	V111-I154 HydrophobicContact CG2-CD1 4.24Å; L150-I154 HydrophobicContact CD1-CD1 3.28Å; L150-I154 HydrophobicContact CD1-CG1 3.75Å; L150-I154 PolarHBondContact O-N 3.21Å; K151-I154 PolarHBondContact O-N 3.18Å; I154-L166 HydrophobicContact CG1-CD1 4.31Å; I154-L166 HydrophobicContact CG1-CD2 3.95Å
155	L	93.5	Very high	97	Very high	91 Å²	91	35.4 Å²	35.4	48%	0.476	19%	0.19	S	C	.	.	H	α-helix	trans	-82.3	-34.2	-170.1	-65.3	-179.8	0	0	0	114.3	K151 G152 I299	K151-L155 HydrophobicContact CD-CD1 3.95Å; K151-L155 HydrophobicContact CD-CD2 4.42Å; K151-L155 HydrophobicContact CD-CG 3.92Å; K151-L155 HydrophobicContact CG-CD1 3.78Å; K151-L155 HydrophobicContact CG-CG 4.14Å; K151-L155 WeakPolarHBondContact O-CG 3.38Å; K151-L155 PolarHBondContact O-N 3.15Å; G152-L155 PolarHBondContact O-N 3.43Å; L155-I299 HydrophobicContact CD1-CG1 4.48Å
156	A	96.3	Very high	97	Very high	34 Å²	34	35.4 Å²	35.4	28%	0.281	19%	0.191	S	C	.	.	H	α-helix	trans	-131.7	-1	-169.1	0	0	0	0	0	113.7	G152 L286 G287 V295	G152-A156 WeakPolarHBondContact O-CA 3.5Å; G152-A156 WeakPolarHBondContact O-CB 3.47Å; G152-A156 PolarHBondContact O-N 3.11Å; A156-L286 HydrophobicContact CB-CD1 4.23Å; A156-L286 HydrophobicContact CB-CG 4.32Å; A156-G287 PolarHBondContact O-N 3.41Å; A156-V295 HydrophobicContact CB-CG2 4.32Å
157	G	97.6	Very high	97.3	Very high	10 Å²	10	37.8 Å²	37.8	10%	0.103	21%	0.206	C	C	.	.			trans	-72.4	147.4	178.5	0	0	0	0	0	112.6	G152 I153 K162	G152-G157 PolarHBondContact O-N 3.41Å; I153-G157 WeakPolarHBondContact O-CA 3.4Å; I153-G157 PolarHBondContact O-N 3.03Å; G157-K162 VanDerWaalsContact O-CE 3.23Å; G157-K162 WeakPolarHBondContact O-CE 3.2Å
158	T	98.4	Very high	97.6	Very high	66 Å²	66	41.3 Å²	41.3	41%	0.405	22%	0.22	S	C	.	.			trans	-70.2	165	166.2	79	0	0	0	0	110.4	E160 Q161 K162	T158-E160 VanDerWaalsContact CB-OE2 3.25Å; T158-E160 WeakPolarHBondContact CB-OE2 3.47Å; T158-E160 PolarHBondContact O-N 2.84Å; T158-E160 PolarHBondContact OG1-N 3.21Å; T158-E160 PolarHBondContact OG1-OE2 3.42Å; T158-Q161 PolarHBondContact O-N 2.71Å; T158-Q161 PolarHBondContact OG1-N 2.78Å; T158-K162 WeakPolarHBondContact O-CG 3.48Å; T158-K162 PolarHBondContact O-N 3.02Å
159	E	98.1	Very high	97.7	Very high	96 Å²	96	40.5 Å²	40.5	45%	0.449	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-34.4	177.6	-62.4	-53.9	116.4	0	0	111.7	Y115 K162 A163	Y115-E159 PolarHBondContact OH-OE2 3.22Å; E159-K162 PolarHBondContact O-N 3.46Å; E159-K162 IonicContact OE1-NZ 2.72Å; E159-K162 PolarHBondContact OE1-NZ 2.96Å; E159-A163 VanDerWaalsContact O-CB 3.26Å; E159-A163 WeakPolarHBondContact O-CB 3.31Å; E159-A163 PolarHBondContact O-N 2.99Å
160	E	98.4	Very high	97.8	Very high	139 Å²	139	40.6 Å²	40.6	65%	0.65	22%	0.217	S	C	*	.	H	α-helix	trans	-65.8	-42.8	175.1	-57.8	73	-157.9	0	0	111.7	T158 K164	T158-E160 VanDerWaalsContact CB-OE2 3.25Å; T158-E160 WeakPolarHBondContact CB-OE2 3.47Å; T158-E160 PolarHBondContact O-N 2.84Å; T158-E160 PolarHBondContact OG1-N 3.21Å; T158-E160 PolarHBondContact OG1-OE2 3.42Å; E160-K164 VanDerWaalsContact O-CB 3.24Å; E160-K164 WeakPolarHBondContact O-CB 3.36Å; E160-K164 PolarHBondContact O-N 3.07Å
161	Q	98.7	Very high	97.8	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.056	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-44.7	175.7	-68.9	173	-21.6	0	0	110.9	T158 K164 Y165 I246 E283 I285	T158-Q161 PolarHBondContact O-N 2.71Å; T158-Q161 PolarHBondContact OG1-N 2.78Å; Q161-K164 PolarHBondContact O-N 3.34Å; Q161-Y165 HydrophobicContact CB-CD2 4.34Å; Q161-Y165 HydrophobicContact CB-CE2 4.46Å; Q161-Y165 WeakPolarHBondContact O-CD2 3.36Å; Q161-Y165 PolarHBondContact O-N 2.83Å; Q161-I246 HydrophobicContact CB-CD1 4.11Å; Q161-I246 HydrophobicContact CG-CD1 4.14Å; Q161-E283 PolarHBondContact NE2-O 3.39Å; Q161-I285 PolarHBondContact NE2-O 3.16Å
162	K	98.8	Very high	97.9	Very high	39 Å²	39	42.6 Å²	42.6	17%	0.17	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-51	177.5	-71.2	175.9	-169.9	163.5	0	111.3	Y115 I153 G157 T158 E159 K164 Y165 L166	Y115-K162 HydrophobicContact CD1-CB 4.47Å; Y115-K162 HydrophobicContact CD2-CB 4.47Å; Y115-K162 HydrophobicContact CE1-CB 3.87Å; Y115-K162 HydrophobicContact CE2-CB 3.89Å; Y115-K162 HydrophobicContact CE2-CD 4.02Å; I153-K162 HydrophobicContact CG2-CG 4.29Å; G157-K162 VanDerWaalsContact O-CE 3.23Å; G157-K162 WeakPolarHBondContact O-CE 3.2Å; T158-K162 WeakPolarHBondContact O-CG 3.48Å; T158-K162 PolarHBondContact O-N 3.02Å; E159-K162 PolarHBondContact O-N 3.46Å; E159-K162 IonicContact OE1-NZ 2.72Å; E159-K162 PolarHBondContact OE1-NZ 2.96Å; K162-K164 VanDerWaalsContact C-N 3.28Å; K162-K164 PolarHBondContact O-N 2.7Å; K162-Y165 PolarHBondContact O-N 3.44Å; K162-L166 HydrophobicContact CB-CD1 3.77Å; K162-L166 HydrophobicContact CB-CG 4.32Å; K162-L166 HydrophobicContact CG-CD1 3.85Å; K162-L166 VanDerWaalsContact O-CB 3.24Å; K162-L166 WeakPolarHBondContact O-CB 3.37Å; K162-L166 WeakPolarHBondContact O-CG 3.24Å; K162-L166 PolarHBondContact O-N 3.29Å
163	A	98.5	Very high	98	Very high	56 Å²	56	47.8 Å²	47.8	46%	0.463	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-36.3	178.3	0	0	0	0	0	112.7	Y115 E159 P167	Y115-A163 HydrophobicContact CE1-CB 4.03Å; E159-A163 VanDerWaalsContact O-CB 3.26Å; E159-A163 WeakPolarHBondContact O-CB 3.31Å; E159-A163 PolarHBondContact O-N 2.99Å; A163-P167 WeakPolarHBondContact O-CD 3.46Å
164	K	98.6	Very high	98	Very high	112 Å²	112	49.5 Å²	49.5	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-70.9	-46.6	178.5	-176.8	178.7	173.4	-162.3	0	112.8	E160 Q161 K162 E248	E160-K164 VanDerWaalsContact O-CB 3.24Å; E160-K164 WeakPolarHBondContact O-CB 3.36Å; E160-K164 PolarHBondContact O-N 3.07Å; Q161-K164 PolarHBondContact O-N 3.34Å; K162-K164 VanDerWaalsContact C-N 3.28Å; K162-K164 PolarHBondContact O-N 2.7Å; K164-E248 WeakPolarHBondContact CE-OE1 3.34Å; K164-E248 IonicContact NZ-OE1 2.76Å; K164-E248 PolarHBondContact NZ-OE1 2.8Å
165	Y	98.8	Very high	98.1	Very high	8 Å²	8	48.3 Å²	48.3	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-101.7	-40.1	-166.9	-61.9	-67.4	0	0	0	114.3	I153 Q161 K162 K168 L169 I222 I246 E248 N284	I153-Y165 HydrophobicContact CD1-CD2 4.33Å; I153-Y165 HydrophobicContact CD1-CG 4.26Å; Q161-Y165 HydrophobicContact CB-CD2 4.34Å; Q161-Y165 HydrophobicContact CB-CE2 4.46Å; Q161-Y165 WeakPolarHBondContact O-CD2 3.36Å; Q161-Y165 PolarHBondContact O-N 2.83Å; K162-Y165 PolarHBondContact O-N 3.44Å; Y165-K168 PolarHBondContact O-N 2.98Å; Y165-L169 WeakPolarHBondContact O-CD1 3.47Å; Y165-L169 VanDerWaalsContact O-CG 3.28Å; Y165-L169 WeakPolarHBondContact O-CG 3.36Å; Y165-L169 PolarHBondContact O-N 3.15Å; Y165-I222 HydrophobicContact CD1-CD1 3.94Å; Y165-I222 HydrophobicContact CE1-CD1 4.12Å; Y165-I246 HydrophobicContact CD1-CG2 4.37Å; Y165-I246 HydrophobicContact CD2-CD1 3.75Å; Y165-I246 HydrophobicContact CD2-CG2 4.11Å; Y165-I246 HydrophobicContact CE1-CG2 4.07Å; Y165-I246 HydrophobicContact CE2-CB 4.38Å; Y165-I246 HydrophobicContact CE2-CD1 3.67Å; Y165-I246 HydrophobicContact CE2-CG2 3.82Å; Y165-I246 HydrophobicContact CG-CG2 4.41Å; Y165-E248 HydrophobicContact CE1-CG 4Å; Y165-E248 WeakPolarHBondContact CE1-OE1 3.44Å; Y165-E248 PolarHBondContact OH-OE1 2.91Å; Y165-E248 VanDerWaalsContact OH-OE1 3.11Å; Y165-N284 PolarHBondContact OH-ND2 2.93Å; Y165-N284 PolarHBondContact OH-OD1 3.04Å
166	L	98.8	Very high	98.4	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-37.4	-169.8	-67.6	-178.3	0	0	0	114.3	V111 Y115 L150 I153 I154 K162 K168 L169 A170	V111-L166 HydrophobicContact CG1-CB 3.93Å; V111-L166 HydrophobicContact CG1-CD1 4.34Å; V111-L166 HydrophobicContact CG1-CG 4.49Å; V111-L166 HydrophobicContact CG2-CD2 4.46Å; Y115-L166 HydrophobicContact CD2-CD1 3.69Å; Y115-L166 HydrophobicContact CE2-CD1 4.29Å; Y115-L166 HydrophobicContact CG-CB 4.07Å; Y115-L166 HydrophobicContact CG-CD1 3.92Å; L150-L166 HydrophobicContact CD1-CD2 4.25Å; I153-L166 HydrophobicContact CB-CD2 4.21Å; I153-L166 HydrophobicContact CG2-CD2 3.97Å; I153-L166 HydrophobicContact CG2-CG 4.09Å; I154-L166 HydrophobicContact CG1-CD1 4.31Å; I154-L166 HydrophobicContact CG1-CD2 3.95Å; K162-L166 HydrophobicContact CB-CD1 3.77Å; K162-L166 HydrophobicContact CB-CG 4.32Å; K162-L166 HydrophobicContact CG-CD1 3.85Å; K162-L166 VanDerWaalsContact O-CB 3.24Å; K162-L166 WeakPolarHBondContact O-CB 3.37Å; K162-L166 WeakPolarHBondContact O-CG 3.24Å; K162-L166 PolarHBondContact O-N 3.29Å; L166-K168 PolarHBondContact O-N 3.22Å; L166-L169 PolarHBondContact O-N 2.86Å; L166-A170 VanDerWaalsContact O-CB 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.25Å; L166-A170 PolarHBondContact O-N 3.06Å
167	P	98.7	Very high	98.5	Very high	55 Å²	55	42.4 Å²	42.4	36%	0.357	22%	0.223	S	C	.	.	H	α-helix	trans	-59	-45.5	178.9	-27.6	36.6	0	0	0	114.4	Y115 A163 L169 A170 S171	Y115-P167 VanDerWaalsContact O-CA 3.22Å; Y115-P167 WeakPolarHBondContact O-CA 3.48Å; A163-P167 WeakPolarHBondContact O-CD 3.46Å; P167-L169 VanDerWaalsContact C-N 3.34Å; P167-A170 PolarHBondContact O-N 3.14Å; P167-S171 PolarHBondContact O-N 3.42Å; P167-S171 PolarHBondContact O-OG 3.48Å
168	K	98.7	Very high	98.6	Very high	81 Å²	81	43 Å²	43	35%	0.352	22%	0.222	S	C	.	.	H	α-helix	trans	-73.3	-28.4	178.7	-66.7	-168.3	173.1	-145.9	0	113	Y165 L166 S171 G172 E173 H174	Y165-K168 PolarHBondContact O-N 2.98Å; L166-K168 PolarHBondContact O-N 3.22Å; K168-S171 PolarHBondContact O-OG 3.44Å; K168-G172 PolarHBondContact O-N 2.95Å; K168-E173 HydrophobicContact CB-CB 4.39Å; K168-E173 WeakPolarHBondContact CD-OE1 3.38Å; K168-E173 VanDerWaalsContact CE-OE1 3.3Å; K168-E173 WeakPolarHBondContact CE-OE1 3.46Å; K168-E173 IonicContact NZ-OE1 2.74Å; K168-E173 PolarHBondContact NZ-OE1 3.44Å; K168-E173 PolarHBondContact O-N 2.9Å; K168-E173 VanDerWaalsContact O-N 3.11Å; K168-H174 HydrophobicContact CB-CB 4.16Å; K168-H174 PolarHBondContact O-N 2.84Å
169	L	98.8	Very high	98.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-72.4	-43.3	174.2	-68.8	168.9	0	0	0	110.4	H145 L150 I153 Y165 L166 P167 S171 G172 H174 A176 I222	H145-L169 PolarHBondContact CE1-O 3.48Å; H145-L169 VanDerWaalsContact CE1-O 3.32Å; H145-L169 PolarHBondContact NE2-O 3.25Å; L150-L169 HydrophobicContact CB-CD1 3.8Å; L150-L169 HydrophobicContact CD2-CB 4.16Å; I153-L169 HydrophobicContact CD1-CD1 3.9Å; Y165-L169 WeakPolarHBondContact O-CD1 3.47Å; Y165-L169 VanDerWaalsContact O-CG 3.28Å; Y165-L169 WeakPolarHBondContact O-CG 3.36Å; Y165-L169 PolarHBondContact O-N 3.15Å; L166-L169 PolarHBondContact O-N 2.86Å; P167-L169 VanDerWaalsContact C-N 3.34Å; L169-S171 VanDerWaalsContact C-N 3.35Å; L169-S171 PolarHBondContact O-N 3.22Å; L169-G172 PolarHBondContact O-N 2.84Å; L169-H174 HydrophobicContact CD2-CB 4.02Å; L169-H174 WeakPolarHBondContact CD2-O 3.49Å; L169-A176 HydrophobicContact CD2-CB 3.82Å; L169-I222 HydrophobicContact CD2-CB 4.2Å; L169-I222 HydrophobicContact CD2-CG1 4.07Å
170	A	98.6	Very high	98.6	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-39.4	179.7	0	0	0	0	0	113.1	G108 V111 L166 P167 G172	G108-A170 PolarHBondContact N-O 2.94Å; V111-A170 HydrophobicContact CB-CB 4.07Å; V111-A170 HydrophobicContact CG1-CB 3.95Å; V111-A170 HydrophobicContact CG2-CB 4.22Å; L166-A170 VanDerWaalsContact O-CB 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.25Å; L166-A170 PolarHBondContact O-N 3.06Å; P167-A170 PolarHBondContact O-N 3.14Å; A170-G172 VanDerWaalsContact C-N 3.25Å; A170-G172 PolarHBondContact O-N 2.66Å
171	S	98.3	Very high	98.6	Very high	54 Å²	54	31.3 Å²	31.3	38%	0.378	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.8	175.3	67.1	0	0	0	0	113.6	P167 K168 L169 E173	P167-S171 PolarHBondContact O-N 3.42Å; P167-S171 PolarHBondContact O-OG 3.48Å; K168-S171 PolarHBondContact O-OG 3.44Å; L169-S171 VanDerWaalsContact C-N 3.35Å; L169-S171 PolarHBondContact O-N 3.22Å; S171-E173 PolarHBondContact O-N 3.33Å; S171-E173 WeakPolarHBondContact OG-CB 3.37Å; S171-E173 PolarHBondContact OG-N 3.18Å
172	G	98.1	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	13.1	-169.9	0	0	0	0	0	114.3	K102 K168 L169 A170 H174	K102-G172 WeakPolarHBondContact CD-O 3.39Å; K102-G172 WeakPolarHBondContact CE-O 3.16Å; K102-G172 PolarHBondContact NZ-O 3.48Å; K168-G172 PolarHBondContact O-N 2.95Å; L169-G172 PolarHBondContact O-N 2.84Å; A170-G172 VanDerWaalsContact C-N 3.25Å; A170-G172 PolarHBondContact O-N 2.66Å; G172-H174 PolarHBondContact O-N 3.09Å
173	E	98.3	Very high	98.4	Very high	110 Å²	110	34.2 Å²	34.2	51%	0.514	19%	0.19	S	C	.	.	S	Bend	trans	-56.9	-43.6	166.9	-178.8	-170.3	148.1	0	0	109.8	K168 S171	K168-E173 HydrophobicContact CB-CB 4.39Å; K168-E173 WeakPolarHBondContact CD-OE1 3.38Å; K168-E173 VanDerWaalsContact CE-OE1 3.3Å; K168-E173 WeakPolarHBondContact CE-OE1 3.46Å; K168-E173 IonicContact NZ-OE1 2.74Å; K168-E173 PolarHBondContact NZ-OE1 3.44Å; K168-E173 PolarHBondContact O-N 2.9Å; K168-E173 VanDerWaalsContact O-N 3.11Å; S171-E173 PolarHBondContact O-N 3.33Å; S171-E173 WeakPolarHBondContact OG-CB 3.37Å; S171-E173 PolarHBondContact OG-N 3.18Å
174	H	98.6	Very high	98.1	Very high	35 Å²	35	35.5 Å²	35.5	16%	0.162	20%	0.201	C	C	.	.	S	Bend	trans	-106.2	134.7	169	-74.4	-172.5	0	0	0	110.4	H145 K168 L169 G172 N221 I222	H145-H174 PolarHBondContact CE1-O 2.84Å; K168-H174 HydrophobicContact CB-CB 4.16Å; K168-H174 PolarHBondContact O-N 2.84Å; L169-H174 HydrophobicContact CD2-CB 4.02Å; L169-H174 WeakPolarHBondContact CD2-O 3.49Å; G172-H174 PolarHBondContact O-N 3.09Å; H174-N221 WeakPolarHBondContact CA-OD1 3.12Å; H174-N221 HydrophobicContact CB-CB 4.03Å; H174-I222 HydrophobicContact CB-CG1 4.19Å
175	I	98.7	Very high	97.9	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.062	18%	0.178	C	C	.	.			trans	-96.6	148	171	-62.3	177.7	0	0	0	109.3	F107 N216 L219 A220 N221 I222	F107-I175 HydrophobicContact CE1-CD1 4.29Å; F107-I175 HydrophobicContact CE1-CG1 4.02Å; I175-N216 HydrophobicContact CG2-CB 3.94Å; I175-L219 HydrophobicContact CD1-CB 4.24Å; I175-L219 HydrophobicContact CG2-CB 4.44Å; I175-A220 HydrophobicContact CG2-CB 4.44Å; I175-A220 CarbonylContact O-C 3.55Å; I175-A220 WeakPolarHBondContact O-CA 3.48Å; I175-N221 PolarHBondContact N-OD1 2.79Å; I175-N221 VanDerWaalsContact N-OD1 3.09Å; I175-N221 PolarHBondContact O-N 3.47Å; I175-I222 PolarHBondContact O-N 3.32Å; I175-I222 VanDerWaalsContact O-N 3.09Å
176	A	98.8	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.2	-178.3	0	0	0	0	0	110.9	H145 L150 L169 N216 I222	H145-A176 PolarHBondContact ND1-N 2.82Å; L150-A176 HydrophobicContact CB-CB 4.32Å; L169-A176 HydrophobicContact CD2-CB 3.82Å; A176-N216 PolarHBondContact O-ND2 3.22Å; A176-I222 CarbonylContact C-O 3.52Å; A176-I222 VanDerWaalsContact CA-O 3.22Å; A176-I222 WeakPolarHBondContact CA-O 3.29Å
177	A	98.8	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.5	172.6	0	0	0	0	0	111.2	I214 T215 N216 A220 I222 F223 T224	A177-I214 HydrophobicContact CB-CG2 3.82Å; A177-T215 WeakPolarHBondContact CB-O 3.38Å; A177-N216 HydrophobicContact CB-CB 4.28Å; A177-A220 HydrophobicContact CB-CB 3.56Å; A177-I222 PolarHBondContact N-O 3.2Å; A177-F223 HydrophobicContact CB-CD1 3.74Å; A177-F223 HydrophobicContact CB-CE1 4.06Å; A177-F223 WeakPolarHBondContact O-CA 3.46Å; A177-T224 PolarHBondContact O-N 2.72Å
178	F	98.6	Very high	97.2	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.096	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.1	179.4	178.8	-94.7	0	0	0	110.1	I148 L180 T224 F226 I299	I148-F178 HydrophobicContact CB-CB 3.96Å; I148-F178 HydrophobicContact CB-CD2 4.04Å; I148-F178 HydrophobicContact CB-CG 3.98Å; I148-F178 HydrophobicContact CD1-CB 3.75Å; I148-F178 HydrophobicContact CD1-CD1 4.25Å; I148-F178 HydrophobicContact CD1-CG 4.14Å; I148-F178 HydrophobicContact CG1-CB 3.7Å; I148-F178 HydrophobicContact CG1-CG 4.2Å; I148-F178 WeakPolarHBondContact O-CD2 3.47Å; F178-L180 HydrophobicContact CD1-CB 4.05Å; F178-L180 HydrophobicContact CE1-CB 3.37Å; F178-L180 HydrophobicContact CE1-CD2 3.77Å; F178-L180 HydrophobicContact CE1-CG 4.23Å; F178-L180 HydrophobicContact CZ-CB 3.94Å; F178-L180 HydrophobicContact CZ-CD2 3.92Å; F178-T224 HydrophobicContact CD2-CG2 4.45Å; F178-F226 AromaticContact CD2-CE2 3.8Å; F178-F226 HydrophobicContact CD2-CE2 3.8Å; F178-F226 HydrophobicContact CD2-CZ 4.32Å; F178-F226 HydrophobicContact CE1-CE2 4.23Å; F178-F226 HydrophobicContact CE2-CD2 4.37Å; F178-F226 AromaticContact CE2-CE2 3.2Å; F178-F226 HydrophobicContact CE2-CE2 3.2Å; F178-F226 AromaticContact CE2-CZ 3.47Å; F178-F226 HydrophobicContact CE2-CZ 3.47Å; F178-F226 VanDerWaalsContact CE2-CZ 3.47Å; F178-F226 HydrophobicContact CZ-CD2 4.3Å; F178-F226 AromaticContact CZ-CE2 3.44Å; F178-F226 HydrophobicContact CZ-CE2 3.44Å; F178-F226 VanDerWaalsContact CZ-CE2 3.44Å; F178-F226 AromaticContact CZ-CZ 3.89Å; F178-F226 HydrophobicContact CZ-CZ 3.89Å; F178-I299 HydrophobicContact CD2-CG2 4.29Å; F178-I299 HydrophobicContact CE2-CB 4.39Å; F178-I299 HydrophobicContact CE2-CD1 3.99Å; F178-I299 HydrophobicContact CE2-CG2 3.91Å
179	C	98.7	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	77.7	-167.2	-81.9	0	0	0	0	111.8	K211 F223 T224 V225 F226	C179-K211 HydrophobicContact CB-CG 4.01Å; C179-K211 VanDerWaalsContact O-CE 3.28Å; C179-K211 WeakPolarHBondContact O-CE 3.5Å; C179-F223 VanDerWaalsContact SG-CD1 3.58Å; C179-T224 WeakPolarHBondContact CB-O 3.45Å; C179-T224 PolarHBondContact N-O 3.02Å; C179-V225 HydrophobicContact CB-CB 4.19Å; C179-V225 HydrophobicContact CB-CG1 4.2Å; C179-V225 HydrophobicContact CB-CG2 3.84Å; C179-F226 WeakPolarHBondContact O-CD2 3.33Å; C179-F226 PolarHBondContact O-N 2.89Å; C179-F226 VanDerWaalsContact O-N 3.14Å
180	L	98.2	Very high	96.5	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.068	24%	0.238	C	C	.	.			trans	-108.9	-57.7	178.8	-179.3	60.5	0	0	0	112.5	F178 A189 V192 K211 F226 A296	F178-L180 HydrophobicContact CD1-CB 4.05Å; F178-L180 HydrophobicContact CE1-CB 3.37Å; F178-L180 HydrophobicContact CE1-CD2 3.77Å; F178-L180 HydrophobicContact CE1-CG 4.23Å; F178-L180 HydrophobicContact CZ-CB 3.94Å; F178-L180 HydrophobicContact CZ-CD2 3.92Å; L180-A189 HydrophobicContact CD1-CB 4.29Å; L180-A189 HydrophobicContact CD2-CB 3.97Å; L180-A189 HydrophobicContact CG-CB 4.35Å; L180-V192 HydrophobicContact CD1-CG1 4.23Å; L180-K211 PolarHBondContact O-NZ 2.9Å; L180-F226 HydrophobicContact CB-CD2 3.87Å; L180-F226 HydrophobicContact CB-CE2 4.36Å; L180-F226 HydrophobicContact CD1-CB 3.75Å; L180-F226 HydrophobicContact CD1-CD2 3.8Å; L180-F226 HydrophobicContact CD1-CG 3.78Å; L180-F226 HydrophobicContact CG-CD2 4.39Å; L180-A296 HydrophobicContact CD2-CB 4.44Å
181	T	98.1	Very high	96.4	Very high	43 Å²	43	37.8 Å²	37.8	26%	0.264	25%	0.246	S	C	.	.			trans	-63.4	140	-170.5	-55.5	0	0	0	0	113	S185 K211 V212 W213	T181-S185 WeakPolarHBondContact CA-O 3.47Å; T181-K211 VanDerWaalsContact O-CA 3.29Å; T181-K211 WeakPolarHBondContact O-CA 3.38Å; T181-K211 WeakPolarHBondContact O-CD 3.09Å; T181-V212 HydrophobicContact CG2-CG1 3.87Å; T181-V212 PolarHBondContact O-N 3.2Å; T181-W213 HydrophobicContact CG2-CE3 4.22Å
182	E	98.4	Very high	96.3	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.047	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-130.4	161.7	177.2	-61.3	-173.7	179.7	0	0	109.9	A184 S185 V192 Q193 S194 S210 K211 V212	E182-A184 PolarHBondContact O-N 2.76Å; E182-S185 PolarHBondContact N-O 3.24Å; E182-S185 CarbonylContact O-C 3.52Å; E182-S185 PolarHBondContact O-N 3.46Å; E182-V192 HydrophobicContact CG-CG1 4.39Å; E182-Q193 PolarHBondContact OE1-N 3.35Å; E182-Q193 WeakPolarHBondContact OE2-CA 3.4Å; E182-Q193 WeakPolarHBondContact OE2-CB 3.47Å; E182-Q193 PolarHBondContact OE2-N 3.29Å; E182-S194 WeakPolarHBondContact OE1-CB 3.46Å; E182-S194 PolarHBondContact OE1-N 3.11Å; E182-S194 PolarHBondContact OE1-OG 2.76Å; E182-S210 WeakPolarHBondContact CG-O 3.34Å; E182-K211 HydrophobicContact CG-CD 3.78Å; E182-K211 IonicContact OE1-NZ 2.74Å; E182-K211 PolarHBondContact OE1-NZ 2.73Å; E182-V212 VanDerWaalsContact C-CG1 3.42Å
183	P	94.8	Very high	96.3	Very high	103 Å²	103	41 Å²	41	67%	0.669	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.1	179.4	-29.6	36.4	0	0	0	114.2	V212	P183-V212 HydrophobicContact CG-CB 4.31Å; P183-V212 HydrophobicContact CG-CG1 4.38Å
184	A	93.4	Very high	96.3	Very high	83 Å²	83	35.9 Å²	35.9	69%	0.686	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-5.8	178.4	0	0	0	0	0	114.2	E182	E182-A184 PolarHBondContact O-N 2.76Å
185	S	93.6	Very high	96.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-138.2	93.6	-169.1	-53.6	0	0	0	0	111.4	T181 E182 S191 V192	T181-S185 WeakPolarHBondContact CA-O 3.47Å; E182-S185 PolarHBondContact N-O 3.24Å; E182-S185 CarbonylContact O-C 3.52Å; E182-S185 PolarHBondContact O-N 3.46Å; S185-S191 WeakPolarHBondContact CB-OG 3.3Å; S185-S191 PolarHBondContact OG-O 3.47Å; S185-S191 VanDerWaalsContact OG-O 3.13Å; S185-S191 PolarHBondContact OG-OG 3.37Å; S185-V192 PolarHBondContact OG-N 2.9Å
186	G	94.5	Very high	96.3	Very high	45 Å²	45	37.8 Å²	37.8	46%	0.464	24%	0.237	S	C	.	.	S	Bend	trans	-102.3	-94.8	171	0	0	0	0	0	111.5	D188	G186-D188 VanDerWaalsContact C-N 3.3Å; G186-D188 PolarHBondContact O-N 3.3Å
187	S	92.4	Very high	96.3	Very high	72 Å²	72	41.4 Å²	41.4	50%	0.503	26%	0.259	S	S	.	.	S	Bend	trans	-60.9	-36.2	179	-61.5	0	0	0	0	113.5	A189	S187-A189 VanDerWaalsContact C-N 3.3Å; S187-A189 PolarHBondContact O-N 3.3Å; S187-A189 VanDerWaalsContact O-N 3.12Å
188	D	94.2	Very high	96.3	Very high	99 Å²	99	44.8 Å²	44.8	53%	0.529	28%	0.277	S	S	.	.			trans	-84.6	73	172.5	-174.8	6.1	0	0	0	110.6	G186 A190 S191	G186-D188 VanDerWaalsContact C-N 3.3Å; G186-D188 PolarHBondContact O-N 3.3Å; D188-A190 PolarHBondContact O-N 2.6Å; D188-A190 VanDerWaalsContact O-N 3.17Å; D188-A190 PolarHBondContact OD1-N 3.08Å; D188-S191 WeakPolarHBondContact O-CB 3.44Å; D188-S191 PolarHBondContact O-N 3.44Å; D188-S191 VanDerWaalsContact O-N 3.08Å; D188-S191 PolarHBondContact O-OG 3.3Å; D188-S191 WeakPolarHBondContact OD2-CB 3.28Å
189	A	90.4	Very high	96.2	Very high	10 Å²	10	44.5 Å²	44.5	8%	0.083	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-63	-18.2	179.8	0	0	0	0	0	113.6	L180 S187 S191 V192 I242 F293	L180-A189 HydrophobicContact CD1-CB 4.29Å; L180-A189 HydrophobicContact CD2-CB 3.97Å; L180-A189 HydrophobicContact CG-CB 4.35Å; S187-A189 VanDerWaalsContact C-N 3.3Å; S187-A189 PolarHBondContact O-N 3.3Å; S187-A189 VanDerWaalsContact O-N 3.12Å; A189-S191 PolarHBondContact O-N 2.88Å; A189-V192 WeakPolarHBondContact O-CG1 3.32Å; A189-I242 WeakPolarHBondContact O-CD1 3.35Å; A189-F293 HydrophobicContact CB-CE2 4.27Å
190	A	93.1	Very high	96.1	Very high	52 Å²	52	53.9 Å²	53.9	43%	0.43	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-72.7	-19.9	176.3	0	0	0	0	0	112.2	D188 V192 F293	D188-A190 PolarHBondContact O-N 2.6Å; D188-A190 VanDerWaalsContact O-N 3.17Å; D188-A190 PolarHBondContact OD1-N 3.08Å; A190-V192 PolarHBondContact O-N 2.93Å; A190-F293 HydrophobicContact CB-CD2 4.37Å; A190-F293 HydrophobicContact CB-CE2 4.07Å
191	S	95.9	Very high	96.1	Very high	28 Å²	28	57.4 Å²	57.4	20%	0.196	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-85	4.6	-175.5	71.1	0	0	0	0	115.6	S185 D188 A189 Q193	S185-S191 WeakPolarHBondContact CB-OG 3.3Å; S185-S191 PolarHBondContact OG-O 3.47Å; S185-S191 VanDerWaalsContact OG-O 3.13Å; S185-S191 PolarHBondContact OG-OG 3.37Å; D188-S191 WeakPolarHBondContact O-CB 3.44Å; D188-S191 PolarHBondContact O-N 3.44Å; D188-S191 VanDerWaalsContact O-N 3.08Å; D188-S191 PolarHBondContact O-OG 3.3Å; D188-S191 WeakPolarHBondContact OD2-CB 3.28Å; A189-S191 PolarHBondContact O-N 2.88Å; S191-Q193 PolarHBondContact O-NE2 3.41Å
192	V	97.2	Very high	96	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	36%	0.359	C	S	.	.			trans	-50.8	146.3	-179.4	-66.8	0	0	0	0	112.6	L180 E182 S185 A189 A190 K228 I242	L180-V192 HydrophobicContact CD1-CG1 4.23Å; E182-V192 HydrophobicContact CG-CG1 4.39Å; S185-V192 PolarHBondContact OG-N 2.9Å; A189-V192 WeakPolarHBondContact O-CG1 3.32Å; A190-V192 PolarHBondContact O-N 2.93Å; V192-K228 WeakPolarHBondContact O-CD 3.37Å; V192-K228 WeakPolarHBondContact O-CE 3.43Å; V192-K228 PolarHBondContact O-NZ 2.63Å; V192-I242 HydrophobicContact CG2-CD1 3.61Å; V192-I242 HydrophobicContact CG2-CG1 3.75Å
193	Q	97.8	Very high	96	Very high	120 Å²	120	68.9 Å²	68.9	56%	0.561	39%	0.386	S	S	*	.			trans	-112.7	-19	-173.8	-59.1	-61.5	-43.4	0	0	113.2	E182 S191 R195	E182-Q193 PolarHBondContact OE1-N 3.35Å; E182-Q193 WeakPolarHBondContact OE2-CA 3.4Å; E182-Q193 WeakPolarHBondContact OE2-CB 3.47Å; E182-Q193 PolarHBondContact OE2-N 3.29Å; S191-Q193 PolarHBondContact O-NE2 3.41Å; Q193-R195 PolarHBondContact O-N 3.4Å
194	S	98.5	Very high	96.2	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.021	36%	0.362	C	S	.	.			trans	-52.4	135.5	172.5	-60.7	0	0	0	0	110.3	E182 N208 K211 A227 K228	E182-S194 WeakPolarHBondContact OE1-CB 3.46Å; E182-S194 PolarHBondContact OE1-N 3.11Å; E182-S194 PolarHBondContact OE1-OG 2.76Å; S194-N208 CarbonylContact C-O 3.56Å; S194-N208 WeakPolarHBondContact CA-O 3.23Å; S194-K211 WeakPolarHBondContact OG-CE 3.4Å; S194-A227 CarbonylContact O-C 3.6Å; S194-A227 WeakPolarHBondContact O-CA 3.37Å; S194-A227 WeakPolarHBondContact O-CB 3.32Å; S194-K228 PolarHBondContact O-N 3.01Å
195	R	98.6	Very high	96.4	Very high	85 Å²	85	62.5 Å²	62.5	32%	0.321	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.4	-173.2	-177.1	171.5	-67.7	-79.7	-3.7	111.1	Q193 L207 N208 K228 D240	Q193-R195 PolarHBondContact O-N 3.4Å; R195-L207 WeakPolarHBondContact O-CA 3.41Å; R195-N208 PolarHBondContact N-O 3.28Å; R195-N208 PolarHBondContact O-N 2.92Å; R195-K228 WeakPolarHBondContact CA-O 3.49Å; R195-D240 IonicContact CZ-OD1 3.65Å; R195-D240 IonicContact CZ-OD2 3.57Å; R195-D240 IonicContact NH1-OD1 2.8Å; R195-D240 PolarHBondContact NH1-OD1 3.21Å; R195-D240 IonicContact NH1-OD2 3.48Å; R195-D240 PolarHBondContact NH1-OD2 3.32Å; R195-D240 IonicContact NH2-OD1 3.59Å; R195-D240 IonicContact NH2-OD2 2.74Å; R195-D240 PolarHBondContact NH2-OD2 3.41Å
196	A	98.7	Very high	96.7	Very high	2 Å²	2	64.2 Å²	64.2	2%	0.017	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.3	171.4	0	0	0	0	0	108.6	Y205 I206 L207 A227 K228 T229 F245	A196-Y205 HydrophobicContact CB-CD1 3.93Å; A196-Y205 HydrophobicContact CB-CG 4.33Å; A196-I206 WeakPolarHBondContact CA-O 3.21Å; A196-L207 HydrophobicContact CB-CD1 4.19Å; A196-A227 HydrophobicContact CB-CB 4.11Å; A196-K228 PolarHBondContact N-O 2.97Å; A196-T229 HydrophobicContact CB-CG2 3.87Å; A196-F245 HydrophobicContact CB-CE2 3.71Å; A196-F245 HydrophobicContact CB-CZ 3.62Å
197	T	98.4	Very high	96.9	Very high	76 Å²	76	62 Å²	62	47%	0.466	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.8	179.8	-56.9	0	0	0	0	109.7	S199 Y205 I206	T197-S199 PolarHBondContact O-N 2.89Å; T197-Y205 CarbonylContact O-C 3.54Å; T197-Y205 VanDerWaalsContact O-CA 3.32Å; T197-Y205 WeakPolarHBondContact O-CA 3.39Å; T197-I206 PolarHBondContact N-O 3.37Å; T197-I206 PolarHBondContact O-N 2.97Å
198	L	98.3	Very high	97.2	Very high	72 Å²	72	61.5 Å²	61.5	38%	0.377	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133.3	177.8	-174.4	66.7	0	0	0	110.1	K202 Y205 V282	L198-K202 HydrophobicContact CD2-CB 4.3Å; L198-K202 HydrophobicContact CD2-CG 4.1Å; L198-Y205 HydrophobicContact CB-CD1 4.19Å; L198-Y205 HydrophobicContact CB-CE1 3.86Å; L198-Y205 HydrophobicContact CD1-CD2 4.08Å; L198-Y205 HydrophobicContact CD1-CE1 4.19Å; L198-Y205 HydrophobicContact CD1-CE2 3.69Å; L198-Y205 HydrophobicContact CD1-CG 4.49Å; L198-V282 HydrophobicContact CD1-CG1 3.88Å
199	S	97.8	Very high	97.4	Very high	16 Å²	16	57.9 Å²	57.9	11%	0.112	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-64.9	155.8	176.6	62.6	0	0	0	0	111.9	T197 D201 K202 K203 H204	T197-S199 PolarHBondContact O-N 2.89Å; S199-D201 WeakPolarHBondContact CB-OD1 3.34Å; S199-D201 PolarHBondContact O-N 3.14Å; S199-D201 PolarHBondContact OG-OD1 3.41Å; S199-K202 WeakPolarHBondContact O-CA 3.42Å; S199-K202 PolarHBondContact O-N 2.63Å; S199-K202 PolarHBondContact OG-N 3.24Å; S199-K203 PolarHBondContact OG-N 3.01Å; S199-H204 VanDerWaalsContact CB-CE1 3.44Å; S199-H204 WeakPolarHBondContact CB-CE1 3.49Å; S199-H204 VanDerWaalsContact CB-O 3.28Å; S199-H204 WeakPolarHBondContact CB-O 3.46Å; S199-H204 PolarHBondContact N-O 3.32Å; S199-H204 PolarHBondContact OG-N 3.12Å; S199-H204 PolarHBondContact OG-ND1 3.32Å; S199-H204 PolarHBondContact OG-O 3.46Å
200	E	96.8	Very high	97.7	Very high	197 Å²	197	59.8 Å²	59.8	92%	0.921	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.7	178	-65.1	-177.2	172.6	0	0	112.6	K202	E200-K202 PolarHBondContact O-N 3.03Å
201	D	96.9	Very high	98	Very high	86 Å²	86	57.3 Å²	57.3	46%	0.46	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.4	176.5	73.6	-7.5	0	0	0	113.7	S199 K203 H204	S199-D201 WeakPolarHBondContact CB-OD1 3.34Å; S199-D201 PolarHBondContact O-N 3.14Å; S199-D201 PolarHBondContact OG-OD1 3.41Å; D201-K203 HydrophobicContact CB-CG 4.39Å; D201-K203 PolarHBondContact O-N 3.45Å; D201-K203 PolarHBondContact OD1-N 3.17Å; D201-K203 VanDerWaalsContact OD1-N 3.09Å; D201-K203 WeakPolarHBondContact OD2-CD 3.44Å; D201-H204 IonicContact OD1-CE1 3.81Å; D201-H204 IonicContact OD1-ND1 3.62Å
202	K	97	Very high	98.1	Very high	153 Å²	153	56.3 Å²	56.3	67%	0.665	28%	0.282	S	S	*	.	S	Bend	trans	58.2	21.7	179.9	-52.5	-179.3	-179.5	178.5	0	114.7	L198 S199 E200 V282	L198-K202 HydrophobicContact CD2-CB 4.3Å; L198-K202 HydrophobicContact CD2-CG 4.1Å; S199-K202 WeakPolarHBondContact O-CA 3.42Å; S199-K202 PolarHBondContact O-N 2.63Å; S199-K202 PolarHBondContact OG-N 3.24Å; E200-K202 PolarHBondContact O-N 3.03Å; K202-V282 WeakPolarHBondContact O-CG1 3.49Å
203	K	97.8	Very high	98.2	Very high	141 Å²	141	64 Å²	64	61%	0.613	31%	0.31	S	S	*	.	S	Bend	trans	-93.2	-21.8	-179.6	-64.1	-174.2	-175.2	172.5	0	113.7	S199 D201 V282	S199-K203 PolarHBondContact OG-N 3.01Å; D201-K203 HydrophobicContact CB-CG 4.39Å; D201-K203 PolarHBondContact O-N 3.45Å; D201-K203 PolarHBondContact OD1-N 3.17Å; D201-K203 VanDerWaalsContact OD1-N 3.09Å; D201-K203 WeakPolarHBondContact OD2-CD 3.44Å; K203-V282 PolarHBondContact O-N 3.01Å; K203-V282 VanDerWaalsContact O-N 3.1Å
204	H	98.4	Very high	98.2	Very high	34 Å²	34	58.4 Å²	58.4	16%	0.157	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	165.2	-177.6	61.1	-74	0	0	0	111.5	S199 D201 I206 V280	S199-H204 VanDerWaalsContact CB-CE1 3.44Å; S199-H204 WeakPolarHBondContact CB-CE1 3.49Å; S199-H204 VanDerWaalsContact CB-O 3.28Å; S199-H204 WeakPolarHBondContact CB-O 3.46Å; S199-H204 PolarHBondContact N-O 3.32Å; S199-H204 PolarHBondContact OG-N 3.12Å; S199-H204 PolarHBondContact OG-ND1 3.32Å; S199-H204 PolarHBondContact OG-O 3.46Å; D201-H204 IonicContact OD1-CE1 3.81Å; D201-H204 IonicContact OD1-ND1 3.62Å; H204-I206 WeakPolarHBondContact NE2-CD1 3.24Å; H204-V280 CarbonylContact C-O 3.56Å; H204-V280 WeakPolarHBondContact CA-O 3.39Å; H204-V280 VanDerWaalsContact CB-O 3.29Å; H204-V280 WeakPolarHBondContact CB-O 3.34Å
205	Y	98.7	Very high	98.2	Very high	18 Å²	18	59.6 Å²	59.6	7%	0.071	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	143.8	166	-73.2	-98.6	0	0	0	109.8	A196 T197 L198 T229 F245 K279 V280 V282 I285	A196-Y205 HydrophobicContact CB-CD1 3.93Å; A196-Y205 HydrophobicContact CB-CG 4.33Å; T197-Y205 CarbonylContact O-C 3.54Å; T197-Y205 VanDerWaalsContact O-CA 3.32Å; T197-Y205 WeakPolarHBondContact O-CA 3.39Å; L198-Y205 HydrophobicContact CB-CD1 4.19Å; L198-Y205 HydrophobicContact CB-CE1 3.86Å; L198-Y205 HydrophobicContact CD1-CD2 4.08Å; L198-Y205 HydrophobicContact CD1-CE1 4.19Å; L198-Y205 HydrophobicContact CD1-CE2 3.69Å; L198-Y205 HydrophobicContact CD1-CG 4.49Å; Y205-T229 HydrophobicContact CD1-CG2 4.11Å; Y205-T229 HydrophobicContact CE1-CG2 3.75Å; Y205-F245 HydrophobicContact CD1-CE1 4.43Å; Y205-F245 HydrophobicContact CD1-CZ 4.21Å; Y205-F245 AromaticContact CD2-CE1 3.75Å; Y205-F245 HydrophobicContact CD2-CE1 3.75Å; Y205-F245 HydrophobicContact CD2-CZ 4.32Å; Y205-F245 HydrophobicContact CE2-CE1 4.21Å; Y205-F245 AromaticContact CG-CE1 3.88Å; Y205-F245 HydrophobicContact CG-CE1 3.88Å; Y205-F245 HydrophobicContact CG-CZ 4.08Å; Y205-K279 CarbonylContact O-C 3.06Å; Y205-K279 WeakPolarHBondContact O-CA 3.25Å; Y205-V280 PolarHBondContact N-O 3.41Å; Y205-V280 PolarHBondContact O-N 3.04Å; Y205-V282 HydrophobicContact CD2-CG1 4.22Å; Y205-V282 HydrophobicContact CE2-CG1 3.99Å; Y205-I285 HydrophobicContact CD2-CD1 4.37Å; Y205-I285 HydrophobicContact CE2-CD1 3.5Å; Y205-I285 HydrophobicContact CE2-CG1 4.11Å
206	I	98.8	Very high	98.2	Very high	38 Å²	38	55.6 Å²	55.6	20%	0.195	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	105.8	166.7	-53.9	-61.8	0	0	0	107.6	A196 T197 H204 N277 K279	A196-I206 WeakPolarHBondContact CA-O 3.21Å; T197-I206 PolarHBondContact N-O 3.37Å; T197-I206 PolarHBondContact O-N 2.97Å; H204-I206 WeakPolarHBondContact NE2-CD1 3.24Å; I206-N277 HydrophobicContact CG2-CB 4.14Å; I206-K279 HydrophobicContact CD1-CG 3.79Å
207	L	98.9	Very high	98.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.8	-179.8	175.9	66	0	0	0	110.6	R195 A196 V225 A227 V247 F275 N277 T278 V280	R195-L207 WeakPolarHBondContact O-CA 3.41Å; A196-L207 HydrophobicContact CB-CD1 4.19Å; L207-V225 HydrophobicContact CD2-CG1 4.01Å; L207-A227 HydrophobicContact CD1-CB 3.53Å; L207-V247 HydrophobicContact CD2-CG2 4.01Å; L207-F275 HydrophobicContact CD2-CB 3.99Å; L207-F275 HydrophobicContact CD2-CD1 3.61Å; L207-F275 HydrophobicContact CD2-CD2 4.28Å; L207-F275 HydrophobicContact CD2-CE1 4.16Å; L207-F275 HydrophobicContact CD2-CG 3.68Å; L207-F275 HydrophobicContact CG-CB 3.84Å; L207-F275 HydrophobicContact CG-CD1 4.4Å; L207-F275 HydrophobicContact CG-CG 4.06Å; L207-N277 PolarHBondContact O-N 3.49Å; L207-T278 PolarHBondContact N-O 2.87Å; L207-T278 PolarHBondContact O-N 3.14Å; L207-T278 VanDerWaalsContact O-N 3.1Å; L207-V280 HydrophobicContact CB-CG2 4.04Å; L207-V280 HydrophobicContact CD2-CG2 4.21Å
208	N	98.9	Very high	98.2	Very high	60 Å²	60	53.2 Å²	53.2	32%	0.321	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.9	173.8	-78.4	-72	0	0	0	110.8	S194 R195 F275 N277	S194-N208 CarbonylContact C-O 3.56Å; S194-N208 WeakPolarHBondContact CA-O 3.23Å; R195-N208 PolarHBondContact N-O 3.28Å; R195-N208 PolarHBondContact O-N 2.92Å; N208-F275 VanDerWaalsContact CA-O 3.3Å; N208-F275 WeakPolarHBondContact CA-O 3.42Å; N208-N277 PolarHBondContact ND2-OD1 3.22Å; N208-N277 VanDerWaalsContact ND2-OD1 3.1Å; N208-N277 PolarHBondContact OD1-N 3.42Å; N208-N277 PolarHBondContact OD1-OD1 2.85Å
209	G	98.2	Very high	98.2	Very high	23 Å²	23	53.1 Å²	53.1	24%	0.237	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-176	175.9	0	0	0	0	0	113.5	F275	G209-F275 PolarHBondContact N-O 2.96Å; G209-F275 PolarHBondContact O-N 3.42Å
210	S	97.9	Very high	98.2	Very high	50 Å²	50	52.4 Å²	52.4	35%	0.35	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.6	176.4	-67.7	0	0	0	0	109.7	E182 V273 H274	E182-S210 WeakPolarHBondContact CG-O 3.34Å; S210-V273 WeakPolarHBondContact CA-O 3.23Å; S210-H274 PolarHBondContact OG-ND1 3.22Å
211	K	98.8	Very high	98.3	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.8	178.3	-59.7	-61.3	-173.6	-177.6	0	108.9	C179 L180 T181 E182 S194 I214 F226 E272 V273 F275	C179-K211 HydrophobicContact CB-CG 4.01Å; C179-K211 VanDerWaalsContact O-CE 3.28Å; C179-K211 WeakPolarHBondContact O-CE 3.5Å; L180-K211 PolarHBondContact O-NZ 2.9Å; T181-K211 VanDerWaalsContact O-CA 3.29Å; T181-K211 WeakPolarHBondContact O-CA 3.38Å; T181-K211 WeakPolarHBondContact O-CD 3.09Å; E182-K211 HydrophobicContact CG-CD 3.78Å; E182-K211 IonicContact OE1-NZ 2.74Å; E182-K211 PolarHBondContact OE1-NZ 2.73Å; S194-K211 WeakPolarHBondContact OG-CE 3.4Å; K211-I214 HydrophobicContact CB-CD1 3.86Å; K211-I214 HydrophobicContact CB-CG1 3.64Å; K211-F226 WeakPolarHBondContact CE-O 3.48Å; K211-F226 PolarHBondContact NZ-O 3.01Å; K211-E272 CarbonylContact O-C 3.28Å; K211-E272 WeakPolarHBondContact O-CA 3.41Å; K211-V273 HydrophobicContact CB-CB 4.48Å; K211-V273 PolarHBondContact N-O 3.26Å; K211-V273 PolarHBondContact O-N 3.36Å; K211-F275 HydrophobicContact CG-CE2 3.87Å
212	V	98.4	Very high	98.4	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.4	-175.2	71.4	0	0	0	0	110.8	T181 E182 P183 I214 E272	T181-V212 HydrophobicContact CG2-CG1 3.87Å; T181-V212 PolarHBondContact O-N 3.2Å; E182-V212 VanDerWaalsContact C-CG1 3.42Å; P183-V212 HydrophobicContact CG-CB 4.31Å; P183-V212 HydrophobicContact CG-CG1 4.38Å; V212-I214 VanDerWaalsContact C-N 3.29Å; V212-I214 WeakPolarHBondContact O-CD1 3.23Å; V212-I214 PolarHBondContact O-N 2.97Å; V212-E272 HydrophobicContact CB-CG 4.48Å; V212-E272 HydrophobicContact CG2-CG 4.08Å
213	W	98.4	Very high	98.5	Very high	161 Å²	161	34 Å²	34	61%	0.61	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	55.3	40.2	-179.4	-50.5	-39.8	0	0	0	114.2	T181 T215 T270	T181-W213 HydrophobicContact CG2-CE3 4.22Å; W213-T215 PolarHBondContact O-N 3.31Å; W213-T270 HydrophobicContact CB-CG2 3.97Å
214	I	98.8	Very high	98.6	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	110.9	-179.7	-57.1	-47.5	0	0	0	109.3	A177 K211 V212 N216 G217 T270 C271 V273	A177-I214 HydrophobicContact CB-CG2 3.82Å; K211-I214 HydrophobicContact CB-CD1 3.86Å; K211-I214 HydrophobicContact CB-CG1 3.64Å; V212-I214 VanDerWaalsContact C-N 3.29Å; V212-I214 WeakPolarHBondContact O-CD1 3.23Å; V212-I214 PolarHBondContact O-N 2.97Å; I214-N216 PolarHBondContact O-N 3.49Å; I214-G217 PolarHBondContact O-N 2.95Å; I214-T270 WeakPolarHBondContact O-CA 3.36Å; I214-C271 PolarHBondContact N-O 3.4Å; I214-C271 PolarHBondContact O-N 3.02Å; I214-V273 HydrophobicContact CB-CG2 3.89Å; I214-V273 HydrophobicContact CG1-CB 4.49Å; I214-V273 HydrophobicContact CG1-CG2 4.08Å; I214-V273 HydrophobicContact CG2-CG2 4.04Å
215	T	98.7	Very high	98.6	Very high	29 Å²	29	25.7 Å²	25.7	18%	0.178	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	135.5	170.6	-55.8	0	0	0	0	110.1	V140 A144 A177 W213 G217 S268 N269	V140-T215 HydrophobicContact CG1-CG2 3.86Å; A144-T215 HydrophobicContact CB-CG2 3.27Å; A177-T215 WeakPolarHBondContact CB-O 3.38Å; W213-T215 PolarHBondContact O-N 3.31Å; T215-G217 PolarHBondContact O-N 3.08Å; T215-S268 WeakPolarHBondContact CG2-OG 3.11Å; T215-N269 VanDerWaalsContact CA-O 3.28Å; T215-N269 WeakPolarHBondContact CA-O 3.48Å
216	N	98.8	Very high	98.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	7.7	-171.9	-54.3	-20.4	0	0	0	114.4	T141 I175 A176 A177 I214 G218 L219 A220 N269	T141-N216 PolarHBondContact O-ND2 3.38Å; I175-N216 HydrophobicContact CG2-CB 3.94Å; A176-N216 PolarHBondContact O-ND2 3.22Å; A177-N216 HydrophobicContact CB-CB 4.28Å; I214-N216 PolarHBondContact O-N 3.49Å; N216-G218 PolarHBondContact O-N 3.06Å; N216-G218 VanDerWaalsContact O-N 3.09Å; N216-L219 CarbonylContact O-C 3.56Å; N216-L219 PolarHBondContact O-N 3.41Å; N216-A220 HydrophobicContact CB-CB 4.47Å; N216-A220 VanDerWaalsContact O-CB 3.29Å; N216-A220 WeakPolarHBondContact O-CB 3.28Å; N216-A220 PolarHBondContact O-N 3.23Å; N216-N269 WeakPolarHBondContact CA-OD1 3.35Å; N216-N269 PolarHBondContact N-O 2.94Å
217	G	98.4	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.9	-175	0	0	0	0	0	114.6	I214 T215 R249 N269	I214-G217 PolarHBondContact O-N 2.95Å; T215-G217 PolarHBondContact O-N 3.08Å; G217-R249 PolarHBondContact O-NH2 3.32Å; G217-N269 PolarHBondContact N-OD1 3.36Å
218	G	98.1	Very high	98.6	Very high	28 Å²	28	24.7 Å²	24.7	29%	0.289	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.5	175.6	0	0	0	0	0	114.7	N216 N269 C271	N216-G218 PolarHBondContact O-N 3.06Å; N216-G218 VanDerWaalsContact O-N 3.09Å; G218-N269 PolarHBondContact N-OD1 3.2Å; G218-C271 PolarHBondContact N-SG 3.42Å
219	L	98	Very high	98.5	Very high	71 Å²	71	21.8 Å²	21.8	37%	0.372	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-28	-178.7	-57.1	178.6	0	0	0	112.6	I175 N216 N269	I175-L219 HydrophobicContact CD1-CB 4.24Å; I175-L219 HydrophobicContact CG2-CB 4.44Å; N216-L219 CarbonylContact O-C 3.56Å; N216-L219 PolarHBondContact O-N 3.41Å; L219-N269 HydrophobicContact CD1-CB 3.72Å; L219-N269 HydrophobicContact CG-CB 3.85Å
220	A	98.6	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.			trans	-72.1	141.4	-168.3	0	0	0	0	0	112.8	I175 A177 N216 F223 R249	I175-A220 HydrophobicContact CG2-CB 4.44Å; I175-A220 CarbonylContact O-C 3.55Å; I175-A220 WeakPolarHBondContact O-CA 3.48Å; A177-A220 HydrophobicContact CB-CB 3.56Å; N216-A220 HydrophobicContact CB-CB 4.47Å; N216-A220 VanDerWaalsContact O-CB 3.29Å; N216-A220 WeakPolarHBondContact O-CB 3.28Å; N216-A220 PolarHBondContact O-N 3.23Å; A220-F223 HydrophobicContact CB-CD1 4.3Å; A220-F223 HydrophobicContact CB-CE1 3.86Å; A220-F223 HydrophobicContact CB-CZ 4.1Å; A220-R249 PolarHBondContact O-NE 3.16Å; A220-R249 PolarHBondContact O-NH2 2.97Å
221	N	98.8	Very high	98.3	Very high	49 Å²	49	25.8 Å²	25.8	26%	0.262	13%	0.128	S	C	.	.	S	Bend	trans	-94.9	-30.7	168.7	-51.7	87.2	0	0	0	110.7	H174 I175 E248 R249	H174-N221 WeakPolarHBondContact CA-OD1 3.12Å; H174-N221 HydrophobicContact CB-CB 4.03Å; I175-N221 PolarHBondContact N-OD1 2.79Å; I175-N221 VanDerWaalsContact N-OD1 3.09Å; I175-N221 PolarHBondContact O-N 3.47Å; N221-E248 WeakPolarHBondContact O-CA 3.36Å; N221-R249 PolarHBondContact O-N 3.38Å
222	I	98.9	Very high	97.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.9	-176.2	-52.9	-61.7	0	0	0	109.7	I153 Y165 L169 H174 I175 A176 A177 I246 E248	I153-I222 HydrophobicContact CD1-CG2 4.46Å; Y165-I222 HydrophobicContact CD1-CD1 3.94Å; Y165-I222 HydrophobicContact CE1-CD1 4.12Å; L169-I222 HydrophobicContact CD2-CB 4.2Å; L169-I222 HydrophobicContact CD2-CG1 4.07Å; H174-I222 HydrophobicContact CB-CG1 4.19Å; I175-I222 PolarHBondContact O-N 3.32Å; I175-I222 VanDerWaalsContact O-N 3.09Å; A176-I222 CarbonylContact C-O 3.52Å; A176-I222 VanDerWaalsContact CA-O 3.22Å; A176-I222 WeakPolarHBondContact CA-O 3.29Å; A177-I222 PolarHBondContact N-O 3.2Å; I222-I246 HydrophobicContact CG2-CG2 3.77Å; I222-E248 HydrophobicContact CD1-CB 4.39Å; I222-E248 HydrophobicContact CD1-CG 3.8Å
223	F	98.9	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.8	178.6	-54.5	-92.6	0	0	0	110.4	A177 C179 A220 V225 I246 V247 R249 V254 V273	A177-F223 HydrophobicContact CB-CD1 3.74Å; A177-F223 HydrophobicContact CB-CE1 4.06Å; A177-F223 WeakPolarHBondContact O-CA 3.46Å; C179-F223 VanDerWaalsContact SG-CD1 3.58Å; A220-F223 HydrophobicContact CB-CD1 4.3Å; A220-F223 HydrophobicContact CB-CE1 3.86Å; A220-F223 HydrophobicContact CB-CZ 4.1Å; F223-V225 HydrophobicContact CB-CG2 3.55Å; F223-I246 CarbonylContact O-C 3.43Å; F223-V247 HydrophobicContact CB-CB 4.32Å; F223-V247 WeakPolarHBondContact CD2-O 3.46Å; F223-V247 PolarHBondContact N-O 3.24Å; F223-V247 PolarHBondContact O-N 3.42Å; F223-R249 HydrophobicContact CE2-CB 4.03Å; F223-V254 HydrophobicContact CE2-CG1 3.85Å; F223-V254 HydrophobicContact CZ-CG1 4.18Å; F223-V273 HydrophobicContact CD1-CG1 4.49Å; F223-V273 HydrophobicContact CE1-CG1 4.03Å; F223-V273 HydrophobicContact CE1-CG2 4.16Å; F223-V273 HydrophobicContact CZ-CG1 4.31Å
224	T	98.8	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.5	160.9	-66.3	0	0	0	0	107.9	G149 A177 F178 C179 F226 F245 L286 I299	G149-T224 WeakPolarHBondContact O-CB 3.5Å; G149-T224 PolarHBondContact O-OG1 3.42Å; A177-T224 PolarHBondContact O-N 2.72Å; F178-T224 HydrophobicContact CD2-CG2 4.45Å; C179-T224 WeakPolarHBondContact CB-O 3.45Å; C179-T224 PolarHBondContact N-O 3.02Å; T224-F226 HydrophobicContact CG2-CE2 3.82Å; T224-F226 HydrophobicContact CG2-CZ 3.71Å; T224-F245 CarbonylContact C-O 3.51Å; T224-F245 WeakPolarHBondContact CA-O 3.32Å; T224-L286 HydrophobicContact CG2-CD2 4.03Å; T224-I299 HydrophobicContact CG2-CD1 4.35Å
225	V	98.9	Very high	96.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.1	-172.7	-171.3	0	0	0	0	111.3	C179 L207 F223 A244 F245 V247 F275	C179-V225 HydrophobicContact CB-CB 4.19Å; C179-V225 HydrophobicContact CB-CG1 4.2Å; C179-V225 HydrophobicContact CB-CG2 3.84Å; L207-V225 HydrophobicContact CD2-CG1 4.01Å; F223-V225 HydrophobicContact CB-CG2 3.55Å; V225-A244 CarbonylContact O-C 3.59Å; V225-A244 WeakPolarHBondContact O-CA 3.4Å; V225-F245 PolarHBondContact N-O 3.38Å; V225-F245 PolarHBondContact O-N 3.43Å; V225-V247 HydrophobicContact CB-CG2 3.91Å; V225-V247 HydrophobicContact CG2-CB 3.81Å; V225-V247 HydrophobicContact CG2-CG2 3.5Å; V225-F275 HydrophobicContact CB-CZ 4.49Å; V225-F275 HydrophobicContact CG1-CE2 4Å; V225-F275 HydrophobicContact CG1-CZ 4.09Å; V225-F275 HydrophobicContact CG2-CE1 3.93Å; V225-F275 HydrophobicContact CG2-CE2 4.26Å; V225-F275 HydrophobicContact CG2-CZ 3.53Å
226	F	98.8	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.4	175.7	-58.3	-88.6	0	0	0	110.6	F178 C179 L180 K211 T224 I242 T243 A244 G292 V295 A296 I299	F178-F226 AromaticContact CD2-CE2 3.8Å; F178-F226 HydrophobicContact CD2-CE2 3.8Å; F178-F226 HydrophobicContact CD2-CZ 4.32Å; F178-F226 HydrophobicContact CE1-CE2 4.23Å; F178-F226 HydrophobicContact CE2-CD2 4.37Å; F178-F226 AromaticContact CE2-CE2 3.2Å; F178-F226 HydrophobicContact CE2-CE2 3.2Å; F178-F226 AromaticContact CE2-CZ 3.47Å; F178-F226 HydrophobicContact CE2-CZ 3.47Å; F178-F226 VanDerWaalsContact CE2-CZ 3.47Å; F178-F226 HydrophobicContact CZ-CD2 4.3Å; F178-F226 AromaticContact CZ-CE2 3.44Å; F178-F226 HydrophobicContact CZ-CE2 3.44Å; F178-F226 VanDerWaalsContact CZ-CE2 3.44Å; F178-F226 AromaticContact CZ-CZ 3.89Å; F178-F226 HydrophobicContact CZ-CZ 3.89Å; C179-F226 WeakPolarHBondContact O-CD2 3.33Å; C179-F226 PolarHBondContact O-N 2.89Å; C179-F226 VanDerWaalsContact O-N 3.14Å; L180-F226 HydrophobicContact CB-CD2 3.87Å; L180-F226 HydrophobicContact CB-CE2 4.36Å; L180-F226 HydrophobicContact CD1-CB 3.75Å; L180-F226 HydrophobicContact CD1-CD2 3.8Å; L180-F226 HydrophobicContact CD1-CG 3.78Å; L180-F226 HydrophobicContact CG-CD2 4.39Å; K211-F226 WeakPolarHBondContact CE-O 3.48Å; K211-F226 PolarHBondContact NZ-O 3.01Å; T224-F226 HydrophobicContact CG2-CE2 3.82Å; T224-F226 HydrophobicContact CG2-CZ 3.71Å; F226-I242 HydrophobicContact CB-CG2 3.88Å; F226-I242 HydrophobicContact CD1-CG2 4.14Å; F226-I242 HydrophobicContact CG-CG2 4.5Å; F226-T243 WeakPolarHBondContact CA-O 3.29Å; F226-A244 HydrophobicContact CD1-CB 3.85Å; F226-A244 HydrophobicContact CE1-CB 3.61Å; F226-A244 HydrophobicContact CZ-CB 4.44Å; F226-G292 WeakPolarHBondContact CE1-O 3.39Å; F226-V295 HydrophobicContact CE1-CB 4.47Å; F226-V295 HydrophobicContact CE1-CG1 4.34Å; F226-A296 HydrophobicContact CD1-CB 4.03Å; F226-A296 HydrophobicContact CE1-CB 3.54Å; F226-A296 HydrophobicContact CE2-CB 4.49Å; F226-A296 HydrophobicContact CZ-CB 3.81Å; F226-I299 HydrophobicContact CZ-CD1 4.17Å
227	A	98.7	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	153.2	-179.2	0	0	0	0	0	111.2	S194 A196 L207 I242 T243 F245	S194-A227 CarbonylContact O-C 3.6Å; S194-A227 WeakPolarHBondContact O-CA 3.37Å; S194-A227 WeakPolarHBondContact O-CB 3.32Å; A196-A227 HydrophobicContact CB-CB 4.11Å; L207-A227 HydrophobicContact CD1-CB 3.53Å; A227-I242 CarbonylContact O-C 3.24Å; A227-I242 WeakPolarHBondContact O-CA 3.49Å; A227-T243 PolarHBondContact N-O 2.96Å; A227-T243 VanDerWaalsContact N-O 3.07Å; A227-T243 PolarHBondContact O-N 2.92Å; A227-F245 HydrophobicContact CB-CE2 4.28Å
228	K	98.5	Very high	95.3	Very high	34 Å²	34	43.3 Å²	43.3	15%	0.148	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.4	172.6	-77.7	175.4	171.3	155.4	0	110.6	V192 S194 R195 A196 D240 K241	V192-K228 WeakPolarHBondContact O-CD 3.37Å; V192-K228 WeakPolarHBondContact O-CE 3.43Å; V192-K228 PolarHBondContact O-NZ 2.63Å; S194-K228 PolarHBondContact O-N 3.01Å; R195-K228 WeakPolarHBondContact CA-O 3.49Å; A196-K228 PolarHBondContact N-O 2.97Å; K228-D240 HydrophobicContact CB-CB 4.45Å; K228-D240 HydrophobicContact CD-CB 4.17Å; K228-D240 HydrophobicContact CG-CB 4.38Å; K228-K241 CarbonylContact C-O 3.53Å; K228-K241 WeakPolarHBondContact CA-O 3.1Å
229	T	98	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.8	170.2	53.4	0	0	0	0	108.5	A196 Y205 V231 K241 T243 F245	A196-T229 HydrophobicContact CB-CG2 3.87Å; Y205-T229 HydrophobicContact CD1-CG2 4.11Å; Y205-T229 HydrophobicContact CE1-CG2 3.75Å; T229-V231 PolarHBondContact O-N 3.48Å; T229-K241 PolarHBondContact N-O 2.96Å; T229-K241 PolarHBondContact O-N 2.81Å; T229-K241 PolarHBondContact OG1-O 2.98Å; T229-T243 HydrophobicContact CG2-CG2 4.39Å; T229-T243 PolarHBondContact OG1-OG1 2.87Å; T229-F245 HydrophobicContact CG2-CE2 4.13Å; T229-F245 HydrophobicContact CG2-CZ 3.74Å
230	E	96.1	Very high	95	Very high	137 Å²	137	46.4 Å²	46.4	64%	0.64	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.4	168.4	-67.7	-175.7	163.1	0	0	109.8	V238	E230-V238 HydrophobicContact CB-CG1 3.94Å; E230-V238 HydrophobicContact CG-CG1 4.29Å
231	V	94.3	Very high	94.9	Very high	20 Å²	20	49.8 Å²	49.8	12%	0.121	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.2	179.1	-175.9	0	0	0	0	109	T229 V238 K239 K241 V289	T229-V231 PolarHBondContact O-N 3.48Å; V231-V238 WeakPolarHBondContact O-CA 3.4Å; V231-K239 PolarHBondContact N-O 2.85Å; V231-K239 PolarHBondContact O-N 3.04Å; V231-K241 HydrophobicContact CB-CD 4.06Å; V231-K241 HydrophobicContact CB-CG 4.32Å; V231-K241 HydrophobicContact CG1-CD 4.21Å; V231-K241 HydrophobicContact CG2-CB 3.86Å; V231-K241 HydrophobicContact CG2-CD 4.15Å; V231-K241 HydrophobicContact CG2-CG 4.22Å; V231-V289 HydrophobicContact CG2-CG1 3.92Å
232	V	91.3	Very high	94.8	Very high	105 Å²	105	48.1 Å²	48.1	64%	0.636	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	114.5	171.5	-171.3	0	0	0	0	108.2	S237 V238	V232-S237 WeakPolarHBondContact CA-O 3.26Å; V232-V238 HydrophobicContact CG2-CG2 4.35Å
233	D	87.3	Confident	94.8	Very high	36 Å²	36	48 Å²	48	19%	0.193	28%	0.276	C	S	.	.			trans	-74.8	166.4	175.2	-87.2	-29.1	0	0	0	111.7	D235 G236 S237 K239 K241	D233-D235 VanDerWaalsContact CB-OD1 3.25Å; D233-D235 WeakPolarHBondContact CB-OD1 3.48Å; D233-D235 PolarHBondContact O-N 2.88Å; D233-D235 VanDerWaalsContact O-N 3.12Å; D233-G236 PolarHBondContact O-N 3.47Å; D233-S237 PolarHBondContact N-O 3.28Å; D233-K239 WeakPolarHBondContact OD2-CD 3.04Å; D233-K239 IonicContact OD2-NZ 2.77Å; D233-K239 PolarHBondContact OD2-NZ 3.37Å; D233-K241 WeakPolarHBondContact OD1-CE 3.44Å; D233-K241 IonicContact OD1-NZ 2.75Å; D233-K241 PolarHBondContact OD1-NZ 3.33Å; D233-K241 IonicContact OD2-NZ 3.57Å
234	S	86.9	Confident	94.8	Very high	137 Å²	137	48 Å²	48	96%	0.958	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.2	179.5	55.6	0	0	0	0	114.3	G236	S234-G236 VanDerWaalsContact C-N 3.29Å
235	D	89.3	Confident	94.8	Very high	112 Å²	112	48.1 Å²	48.1	60%	0.599	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	3.3	175.6	63.2	3	0	0	0	113	D233 S237	D233-D235 VanDerWaalsContact CB-OD1 3.25Å; D233-D235 WeakPolarHBondContact CB-OD1 3.48Å; D233-D235 PolarHBondContact O-N 2.88Å; D233-D235 VanDerWaalsContact O-N 3.12Å; D235-S237 VanDerWaalsContact C-N 3.27Å; D235-S237 PolarHBondContact O-N 3.26Å; D235-S237 VanDerWaalsContact OD1-CB 3.24Å; D235-S237 WeakPolarHBondContact OD1-CB 3.49Å; D235-S237 PolarHBondContact OD1-N 2.93Å; D235-S237 PolarHBondContact OD1-OG 3.33Å; D235-S237 PolarHBondContact OD2-OG 3.39Å
236	G	88.2	Confident	94.8	Very high	55 Å²	55	48.1 Å²	48.1	57%	0.567	28%	0.277	S	S	*	.	S	Bend	trans	80.5	-0.7	-176.8	0	0	0	0	0	114.4	D233 S234	D233-G236 PolarHBondContact O-N 3.47Å; S234-G236 VanDerWaalsContact C-N 3.29Å
237	S	92.1	Very high	94.8	Very high	37 Å²	37	48.1 Å²	48.1	26%	0.259	28%	0.277	S	S	.	.			trans	-73.7	140.7	176.1	67.7	0	0	0	0	111.4	V232 D233 D235 K239	V232-S237 WeakPolarHBondContact CA-O 3.26Å; D233-S237 PolarHBondContact N-O 3.28Å; D235-S237 VanDerWaalsContact C-N 3.27Å; D235-S237 PolarHBondContact O-N 3.26Å; D235-S237 VanDerWaalsContact OD1-CB 3.24Å; D235-S237 WeakPolarHBondContact OD1-CB 3.49Å; D235-S237 PolarHBondContact OD1-N 2.93Å; D235-S237 PolarHBondContact OD1-OG 3.33Å; D235-S237 PolarHBondContact OD2-OG 3.39Å; S237-K239 WeakPolarHBondContact OG-CE 3.26Å; S237-K239 PolarHBondContact OG-NZ 2.93Å; S237-K239 VanDerWaalsContact OG-NZ 3.13Å
238	V	92.5	Very high	94.8	Very high	87 Å²	87	49.6 Å²	49.6	53%	0.527	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.3	174.5	-174.8	0	0	0	0	108.5	E230 V231 V232	E230-V238 HydrophobicContact CB-CG1 3.94Å; E230-V238 HydrophobicContact CG-CG1 4.29Å; V231-V238 WeakPolarHBondContact O-CA 3.4Å; V232-V238 HydrophobicContact CG2-CG2 4.35Å
239	K	94.2	Very high	94.8	Very high	94 Å²	94	50.4 Å²	50.4	41%	0.409	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143	178.3	-62.2	-174.5	-169.3	124.6	0	111	V231 D233 S237 K241	V231-K239 PolarHBondContact N-O 2.85Å; V231-K239 PolarHBondContact O-N 3.04Å; D233-K239 WeakPolarHBondContact OD2-CD 3.04Å; D233-K239 IonicContact OD2-NZ 2.77Å; D233-K239 PolarHBondContact OD2-NZ 3.37Å; S237-K239 WeakPolarHBondContact OG-CE 3.26Å; S237-K239 PolarHBondContact OG-NZ 2.93Å; S237-K239 VanDerWaalsContact OG-NZ 3.13Å; K239-K241 PolarHBondContact O-N 3.39Å
240	D	95.1	Very high	94.8	Very high	70 Å²	70	56.9 Å²	56.9	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123.2	166.7	-80.9	-25.7	0	0	0	109.7	R195 K228	R195-D240 IonicContact CZ-OD1 3.65Å; R195-D240 IonicContact CZ-OD2 3.57Å; R195-D240 IonicContact NH1-OD1 2.8Å; R195-D240 PolarHBondContact NH1-OD1 3.21Å; R195-D240 IonicContact NH1-OD2 3.48Å; R195-D240 PolarHBondContact NH1-OD2 3.32Å; R195-D240 IonicContact NH2-OD1 3.59Å; R195-D240 IonicContact NH2-OD2 2.74Å; R195-D240 PolarHBondContact NH2-OD2 3.41Å; K228-D240 HydrophobicContact CB-CB 4.45Å; K228-D240 HydrophobicContact CD-CB 4.17Å; K228-D240 HydrophobicContact CG-CB 4.38Å
241	K	96.7	Very high	95	Very high	71 Å²	71	52.7 Å²	52.7	31%	0.309	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154	170.3	-62.9	-177.3	-174.7	173.3	0	109.8	K228 T229 V231 D233 K239 G290	K228-K241 CarbonylContact C-O 3.53Å; K228-K241 WeakPolarHBondContact CA-O 3.1Å; T229-K241 PolarHBondContact N-O 2.96Å; T229-K241 PolarHBondContact O-N 2.81Å; T229-K241 PolarHBondContact OG1-O 2.98Å; V231-K241 HydrophobicContact CB-CD 4.06Å; V231-K241 HydrophobicContact CB-CG 4.32Å; V231-K241 HydrophobicContact CG1-CD 4.21Å; V231-K241 HydrophobicContact CG2-CB 3.86Å; V231-K241 HydrophobicContact CG2-CD 4.15Å; V231-K241 HydrophobicContact CG2-CG 4.22Å; D233-K241 WeakPolarHBondContact OD1-CE 3.44Å; D233-K241 IonicContact OD1-NZ 2.75Å; D233-K241 PolarHBondContact OD1-NZ 3.33Å; D233-K241 IonicContact OD2-NZ 3.57Å; K239-K241 PolarHBondContact O-N 3.39Å; K241-G290 VanDerWaalsContact CB-CA 3.49Å
242	I	98.3	Very high	95	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	129.8	177.2	-61.1	172.9	0	0	0	108.9	A189 V192 F226 A227 G290 G291 G292 F293	A189-I242 WeakPolarHBondContact O-CD1 3.35Å; V192-I242 HydrophobicContact CG2-CD1 3.61Å; V192-I242 HydrophobicContact CG2-CG1 3.75Å; F226-I242 HydrophobicContact CB-CG2 3.88Å; F226-I242 HydrophobicContact CD1-CG2 4.14Å; F226-I242 HydrophobicContact CG-CG2 4.5Å; A227-I242 CarbonylContact O-C 3.24Å; A227-I242 WeakPolarHBondContact O-CA 3.49Å; I242-G290 CarbonylContact O-C 3.56Å; I242-G290 VanDerWaalsContact O-CA 3.29Å; I242-G290 WeakPolarHBondContact O-CA 3.36Å; I242-G291 PolarHBondContact O-N 3.32Å; I242-G292 VanDerWaalsContact O-CA 3.28Å; I242-G292 WeakPolarHBondContact O-CA 3.4Å; I242-G292 PolarHBondContact O-N 3.08Å; I242-F293 HydrophobicContact CB-CB 4.49Å; I242-F293 HydrophobicContact CD1-CB 4.41Å; I242-F293 HydrophobicContact CD1-CD2 4.16Å
243	T	98.7	Very high	95.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.1	168.3	-63.6	0	0	0	0	108.9	F226 A227 T229 F245 I285 G290	F226-T243 WeakPolarHBondContact CA-O 3.29Å; A227-T243 PolarHBondContact N-O 2.96Å; A227-T243 VanDerWaalsContact N-O 3.07Å; A227-T243 PolarHBondContact O-N 2.92Å; T229-T243 HydrophobicContact CG2-CG2 4.39Å; T229-T243 PolarHBondContact OG1-OG1 2.87Å; T243-F245 HydrophobicContact CG2-CD2 4.24Å; T243-F245 HydrophobicContact CG2-CE1 4.02Å; T243-F245 HydrophobicContact CG2-CE2 3.63Å; T243-F245 HydrophobicContact CG2-CZ 3.51Å; T243-I285 HydrophobicContact CG2-CG1 4.36Å; T243-I285 HydrophobicContact CG2-CG2 3.88Å; T243-G290 PolarHBondContact OG1-N 3.09Å
244	A	98.8	Very high	95.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.4	173.8	0	0	0	0	0	109.6	V225 F226 L286 V295	V225-A244 CarbonylContact O-C 3.59Å; V225-A244 WeakPolarHBondContact O-CA 3.4Å; F226-A244 HydrophobicContact CD1-CB 3.85Å; F226-A244 HydrophobicContact CE1-CB 3.61Å; F226-A244 HydrophobicContact CZ-CB 4.44Å; A244-L286 HydrophobicContact CB-CB 4.09Å; A244-L286 PolarHBondContact O-N 3.26Å; A244-V295 HydrophobicContact CB-CB 4.23Å; A244-V295 HydrophobicContact CB-CG1 4.05Å
245	F	98.9	Very high	96.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.9	-178.1	-62.8	-88.6	0	0	0	110.6	A196 Y205 T224 V225 A227 T229 T243 V247 V280 N284 I285	A196-F245 HydrophobicContact CB-CE2 3.71Å; A196-F245 HydrophobicContact CB-CZ 3.62Å; Y205-F245 HydrophobicContact CD1-CE1 4.43Å; Y205-F245 HydrophobicContact CD1-CZ 4.21Å; Y205-F245 AromaticContact CD2-CE1 3.75Å; Y205-F245 HydrophobicContact CD2-CE1 3.75Å; Y205-F245 HydrophobicContact CD2-CZ 4.32Å; Y205-F245 HydrophobicContact CE2-CE1 4.21Å; Y205-F245 AromaticContact CG-CE1 3.88Å; Y205-F245 HydrophobicContact CG-CE1 3.88Å; Y205-F245 HydrophobicContact CG-CZ 4.08Å; T224-F245 CarbonylContact C-O 3.51Å; T224-F245 WeakPolarHBondContact CA-O 3.32Å; V225-F245 PolarHBondContact N-O 3.38Å; V225-F245 PolarHBondContact O-N 3.43Å; A227-F245 HydrophobicContact CB-CE2 4.28Å; T229-F245 HydrophobicContact CG2-CE2 4.13Å; T229-F245 HydrophobicContact CG2-CZ 3.74Å; T243-F245 HydrophobicContact CG2-CD2 4.24Å; T243-F245 HydrophobicContact CG2-CE1 4.02Å; T243-F245 HydrophobicContact CG2-CE2 3.63Å; T243-F245 HydrophobicContact CG2-CZ 3.51Å; F245-V247 HydrophobicContact CB-CG2 3.91Å; F245-V280 HydrophobicContact CB-CG1 4.21Å; F245-V280 HydrophobicContact CD1-CG1 3.83Å; F245-V280 HydrophobicContact CG-CG1 4.36Å; F245-N284 CarbonylContact C-O 3.39Å; F245-N284 WeakPolarHBondContact CA-O 3.38Å; F245-I285 HydrophobicContact CD1-CG1 4.04Å; F245-I285 HydrophobicContact CE1-CG1 3.7Å
246	I	98.9	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.6	159.9	-52.8	172.5	0	0	0	106.6	I153 Q161 Y165 I222 F223 N284 L286	I153-I246 HydrophobicContact CD1-CD1 3.96Å; I153-I246 HydrophobicContact CD1-CG1 4.25Å; I153-I246 HydrophobicContact CD1-CG2 4.28Å; I153-I246 HydrophobicContact CG1-CD1 3.78Å; I153-I246 HydrophobicContact CG1-CG1 4.07Å; Q161-I246 HydrophobicContact CB-CD1 4.11Å; Q161-I246 HydrophobicContact CG-CD1 4.14Å; Y165-I246 HydrophobicContact CD1-CG2 4.37Å; Y165-I246 HydrophobicContact CD2-CD1 3.75Å; Y165-I246 HydrophobicContact CD2-CG2 4.11Å; Y165-I246 HydrophobicContact CE1-CG2 4.07Å; Y165-I246 HydrophobicContact CE2-CB 4.38Å; Y165-I246 HydrophobicContact CE2-CD1 3.67Å; Y165-I246 HydrophobicContact CE2-CG2 3.82Å; Y165-I246 HydrophobicContact CG-CG2 4.41Å; I222-I246 HydrophobicContact CG2-CG2 3.77Å; F223-I246 CarbonylContact O-C 3.43Å; I246-N284 PolarHBondContact N-O 3.03Å; I246-N284 WeakPolarHBondContact O-CB 3.26Å; I246-N284 PolarHBondContact O-ND2 3.43Å; I246-L286 HydrophobicContact CD1-CD1 4.26Å; I246-L286 HydrophobicContact CG1-CB 4.31Å; I246-L286 HydrophobicContact CG1-CD1 4.36Å; I246-L286 HydrophobicContact CG1-CD2 4.33Å
247	V	98.9	Very high	97.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.2	179.2	-177.4	0	0	0	0	108.6	L207 F223 V225 F245 F251 V254 F275 T278 V280	L207-V247 HydrophobicContact CD2-CG2 4.01Å; F223-V247 HydrophobicContact CB-CB 4.32Å; F223-V247 WeakPolarHBondContact CD2-O 3.46Å; F223-V247 PolarHBondContact N-O 3.24Å; F223-V247 PolarHBondContact O-N 3.42Å; V225-V247 HydrophobicContact CB-CG2 3.91Å; V225-V247 HydrophobicContact CG2-CB 3.81Å; V225-V247 HydrophobicContact CG2-CG2 3.5Å; F245-V247 HydrophobicContact CB-CG2 3.91Å; V247-F251 HydrophobicContact CG1-CD2 4.3Å; V247-V254 HydrophobicContact CG1-CG2 4.16Å; V247-F275 HydrophobicContact CB-CE1 4.5Å; V247-F275 HydrophobicContact CG1-CD1 4.34Å; V247-F275 HydrophobicContact CG1-CE1 3.96Å; V247-T278 HydrophobicContact CG1-CG2 3.98Å; V247-V280 HydrophobicContact CG1-CG2 4.37Å; V247-V280 HydrophobicContact CG2-CG1 4.28Å; V247-V280 HydrophobicContact CG2-CG2 3.87Å
248	E	98.8	Very high	97.6	Very high	32 Å²	32	48.9 Å²	48.9	15%	0.15	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	139.4	170.8	-56.5	-177.3	-143.5	0	0	108.7	K164 Y165 N221 I222 D250 F251	K164-E248 WeakPolarHBondContact CE-OE1 3.34Å; K164-E248 IonicContact NZ-OE1 2.76Å; K164-E248 PolarHBondContact NZ-OE1 2.8Å; Y165-E248 HydrophobicContact CE1-CG 4Å; Y165-E248 WeakPolarHBondContact CE1-OE1 3.44Å; Y165-E248 PolarHBondContact OH-OE1 2.91Å; Y165-E248 VanDerWaalsContact OH-OE1 3.11Å; N221-E248 WeakPolarHBondContact O-CA 3.36Å; I222-E248 HydrophobicContact CD1-CB 4.39Å; I222-E248 HydrophobicContact CD1-CG 3.8Å; E248-D250 PolarHBondContact O-N 2.89Å; E248-F251 HydrophobicContact CB-CD1 3.79Å; E248-F251 HydrophobicContact CB-CD2 4.14Å; E248-F251 HydrophobicContact CB-CE1 3.71Å; E248-F251 HydrophobicContact CB-CE2 4.06Å; E248-F251 HydrophobicContact CB-CG 4.01Å; E248-F251 HydrophobicContact CB-CZ 3.85Å; E248-F251 VanDerWaalsContact CD-CE1 3.46Å; E248-F251 HydrophobicContact CG-CD1 4.32Å; E248-F251 HydrophobicContact CG-CE1 3.7Å; E248-F251 HydrophobicContact CG-CE2 4Å; E248-F251 HydrophobicContact CG-CZ 3.52Å; E248-F251 WeakPolarHBondContact O-CB 3.48Å; E248-F251 PolarHBondContact O-N 3.42Å; E248-F251 VanDerWaalsContact O-N 3.14Å; E248-F251 WeakPolarHBondContact OE1-CE1 3.31Å; E248-F251 WeakPolarHBondContact OE1-CZ 3.22Å
249	R	98.5	Very high	97.9	Very high	51 Å²	51	48.7 Å²	48.7	19%	0.192	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-54.1	-36.5	173.9	-174.6	172.9	-69	-95	11.1	111.5	G217 A220 N221 F223 F251 G252 V254 N256	G217-R249 PolarHBondContact O-NH2 3.32Å; A220-R249 PolarHBondContact O-NE 3.16Å; A220-R249 PolarHBondContact O-NH2 2.97Å; N221-R249 PolarHBondContact O-N 3.38Å; F223-R249 HydrophobicContact CE2-CB 4.03Å; R249-F251 PolarHBondContact O-N 3.26Å; R249-G252 PolarHBondContact O-N 3.18Å; R249-V254 HydrophobicContact CG-CB 4.43Å; R249-V254 HydrophobicContact CG-CG1 4.45Å; R249-N256 PolarHBondContact NH1-OD1 2.78Å
250	D	98.2	Very high	98	Very high	136 Å²	136	47.1 Å²	47.1	73%	0.727	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-75.9	-3.9	-175	-64	-13.4	0	0	0	113.8	E248 G252	E248-D250 PolarHBondContact O-N 2.89Å; D250-G252 PolarHBondContact O-N 2.78Å; D250-G252 VanDerWaalsContact O-N 3.13Å
251	F	98.5	Very high	98.1	Very high	48 Å²	48	50.1 Å²	50.1	21%	0.211	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-66.4	-8.7	171.3	-68.9	-12.3	0	0	0	113.5	V247 E248 R249 T278 V280 P281 N284	V247-F251 HydrophobicContact CG1-CD2 4.3Å; E248-F251 HydrophobicContact CB-CD1 3.79Å; E248-F251 HydrophobicContact CB-CD2 4.14Å; E248-F251 HydrophobicContact CB-CE1 3.71Å; E248-F251 HydrophobicContact CB-CE2 4.06Å; E248-F251 HydrophobicContact CB-CG 4.01Å; E248-F251 HydrophobicContact CB-CZ 3.85Å; E248-F251 VanDerWaalsContact CD-CE1 3.46Å; E248-F251 HydrophobicContact CG-CD1 4.32Å; E248-F251 HydrophobicContact CG-CE1 3.7Å; E248-F251 HydrophobicContact CG-CE2 4Å; E248-F251 HydrophobicContact CG-CZ 3.52Å; E248-F251 WeakPolarHBondContact O-CB 3.48Å; E248-F251 PolarHBondContact O-N 3.42Å; E248-F251 VanDerWaalsContact O-N 3.14Å; E248-F251 WeakPolarHBondContact OE1-CE1 3.31Å; E248-F251 WeakPolarHBondContact OE1-CZ 3.22Å; R249-F251 PolarHBondContact O-N 3.26Å; F251-T278 HydrophobicContact CB-CG2 4.03Å; F251-V280 HydrophobicContact CE2-CG1 4.45Å; F251-P281 VanDerWaalsContact CE2-CD 3.48Å; F251-P281 HydrophobicContact CE2-CG 4.38Å; F251-P281 HydrophobicContact CZ-CG 4.11Å; F251-N284 WeakPolarHBondContact CE2-ND2 3.49Å; F251-N284 WeakPolarHBondContact CZ-ND2 3.44Å
252	G	96.1	Very high	98.2	Very high	38 Å²	38	48.8 Å²	48.8	39%	0.392	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	156.8	179.6	0	0	0	0	0	112.6	R249 D250 V254 T278	R249-G252 PolarHBondContact O-N 3.18Å; D250-G252 PolarHBondContact O-N 2.78Å; D250-G252 VanDerWaalsContact O-N 3.13Å; G252-V254 PolarHBondContact O-N 2.82Å; G252-T278 WeakPolarHBondContact O-CA 3.22Å; G252-T278 WeakPolarHBondContact O-CB 3.34Å; G252-T278 WeakPolarHBondContact O-CG2 3.05Å; G252-T278 PolarHBondContact O-OG1 3.3Å
253	G	97.9	Very high	98.2	Very high	33 Å²	33	53.4 Å²	53.4	34%	0.34	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	4	-174.7	0	0	0	0	0	114.5	F275 E276 T278	G253-F275 CarbonylContact O-C 3.58Å; G253-F275 WeakPolarHBondContact O-CA 3.25Å; G253-E276 VanDerWaalsContact CA-O 3.25Å; G253-E276 WeakPolarHBondContact CA-O 3.35Å; G253-E276 PolarHBondContact O-N 3.43Å; G253-T278 VanDerWaalsContact C-OG1 3.27Å; G253-T278 PolarHBondContact O-OG1 3.32Å
254	V	98.7	Very high	98.1	Very high	15 Å²	15	53.7 Å²	53.7	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.2	178	-170.6	0	0	0	0	109.8	F223 V247 R249 G252 V273 H274 F275 T278	F223-V254 HydrophobicContact CE2-CG1 3.85Å; F223-V254 HydrophobicContact CZ-CG1 4.18Å; V247-V254 HydrophobicContact CG1-CG2 4.16Å; R249-V254 HydrophobicContact CG-CB 4.43Å; R249-V254 HydrophobicContact CG-CG1 4.45Å; G252-V254 PolarHBondContact O-N 2.82Å; V254-V273 HydrophobicContact CG1-CG1 4.23Å; V254-H274 WeakPolarHBondContact CA-O 3.49Å; V254-F275 HydrophobicContact CG1-CD1 4.28Å; V254-F275 HydrophobicContact CG1-CE1 3.96Å; V254-F275 HydrophobicContact CG2-CD1 3.98Å; V254-F275 HydrophobicContact CG2-CE1 4.18Å; V254-T278 HydrophobicContact CG2-CG2 3.83Å
255	T	98.6	Very high	98.1	Very high	80 Å²	80	54.3 Å²	54.3	49%	0.491	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	170.8	175.6	63.4	0	0	0	0	110.6	V273 H274	T255-V273 CarbonylContact O-C 3.55Å; T255-V273 WeakPolarHBondContact O-CA 3.41Å; T255-H274 PolarHBondContact N-O 2.8Å; T255-H274 PolarHBondContact O-N 3.46Å
256	N	98.6	Very high	98.1	Very high	60 Å²	60	57.9 Å²	57.9	32%	0.321	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.4	176.3	62.5	-92.3	0	0	0	111.6	R249 E272 V273	R249-N256 PolarHBondContact NH1-OD1 2.78Å; N256-E272 CarbonylContact C-O 3.59Å; N256-E272 WeakPolarHBondContact CA-O 3.33Å; N256-E272 WeakPolarHBondContact CB-O 3.22Å; N256-V273 HydrophobicContact CB-CG2 4.38Å
257	G	98	Very high	98.1	Very high	21 Å²	21	58.1 Å²	58.1	22%	0.216	32%	0.317	C	S	.	.			trans	-73.1	179.1	174.4	0	0	0	0	0	112.8	E272	G257-E272 PolarHBondContact N-O 3.05Å
258	K	97.6	Very high	98	Very high	176 Å²	176	58.2 Å²	58.2	77%	0.765	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-63.6	152.7	169.6	66.4	178.3	-177.7	176.6	0	110.8	E260 C271	K258-E260 PolarHBondContact O-N 3.11Å; K258-C271 WeakPolarHBondContact O-CB 3.26Å
259	P	97.4	Very high	98	Very high	82 Å²	82	57.7 Å²	57.7	53%	0.532	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-57.6	138.4	169.9	-23.9	34.3	0	0	0	112.1	T270	P259-T270 CarbonylContact C-O 3.57Å; P259-T270 WeakPolarHBondContact CA-O 3.3Å
260	E	97.9	Very high	98	Very high	62 Å²	62	55.7 Å²	55.7	29%	0.29	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-69.8	137.4	176	-62.8	-69.4	-173.3	0	0	111.5	K258 K262 T270	K258-E260 PolarHBondContact O-N 3.11Å; E260-K262 HydrophobicContact CB-CD 4.12Å; E260-K262 HydrophobicContact CB-CG 3.8Å; E260-K262 PolarHBondContact O-N 3.06Å; E260-K262 PolarHBondContact O-NZ 3.5Å; E260-T270 HydrophobicContact CG-CG2 4.26Å; E260-T270 WeakPolarHBondContact CG-O 3.21Å; E260-T270 PolarHBondContact N-O 3.27Å
261	D	96.8	Very high	98.1	Very high	132 Å²	132	49.2 Å²	49.2	71%	0.706	28%	0.275	S	S	*	.			trans	-84.7	108.7	169	-173.3	20.1	0	0	0	109.5	R266	D261-R266 IonicContact OD1-CZ 3.32Å; D261-R266 VanDerWaalsContact OD1-CZ 3.32Å; D261-R266 IonicContact OD1-NH1 2.78Å; D261-R266 PolarHBondContact OD1-NH1 3.32Å; D261-R266 IonicContact OD1-NH2 3.07Å; D261-R266 PolarHBondContact OD1-NH2 3.48Å
262	K	97.9	Very high	98.1	Very high	44 Å²	44	50.4 Å²	50.4	19%	0.191	28%	0.281	C	S	.	.			trans	-115.2	157.7	-165.5	-61	175.8	-72.1	-71.4	0	110.9	E260 R266 S268 T270	E260-K262 HydrophobicContact CB-CD 4.12Å; E260-K262 HydrophobicContact CB-CG 3.8Å; E260-K262 PolarHBondContact O-N 3.06Å; E260-K262 PolarHBondContact O-NZ 3.5Å; K262-R266 PolarHBondContact O-NH1 3.13Å; K262-S268 WeakPolarHBondContact CE-O 3.37Å; K262-S268 PolarHBondContact NZ-O 3.12Å; K262-T270 HydrophobicContact CD-CG2 4.29Å; K262-T270 WeakPolarHBondContact CE-OG1 3.48Å; K262-T270 PolarHBondContact NZ-OG1 2.94Å
263	L	98	Very high	98.2	Very high	110 Å²	110	48.6 Å²	48.6	58%	0.576	26%	0.262	S	S	*	.	S	Bend	trans	-57.7	-54.2	175.7	178.2	64	0	0	0	111.9	R417 R420	L263-R417 HydrophobicContact CD1-CB 4.45Å; L263-R417 HydrophobicContact CD1-CG 3.87Å; L263-R417 HydrophobicContact CG-CB 4.08Å; L263-R417 HydrophobicContact CG-CG 4.03Å; L263-R417 WeakPolarHBondContact O-CB 3.37Å; L263-R417 VanDerWaalsContact O-CD 3.26Å; L263-R417 WeakPolarHBondContact O-CD 3.36Å; L263-R417 PolarHBondContact O-NH1 2.87Å; L263-R420 HydrophobicContact CD2-CB 4.02Å; L263-R420 HydrophobicContact CD2-CG 4.04Å
264	G	98.2	Very high	98.2	Very high	5 Å²	5	49.3 Å²	49.3	5%	0.052	26%	0.256	C	S	.	.	S	Bend	trans	-136.5	-172	-179.2	0	0	0	0	0	111.1	R266 D418	G264-R266 PolarHBondContact O-N 3.48Å; G264-R266 VanDerWaalsContact O-N 3.12Å; G264-D418 WeakPolarHBondContact CA-OD1 3.31Å
265	I	98.3	Very high	98.2	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.072	25%	0.253	C	S	.	.			trans	44.5	40.8	-172	56.6	166.8	0	0	0	111.1	S137 V140 G267 S268 D418 I421	S137-I265 WeakPolarHBondContact OG-CA 3.39Å; V140-I265 HydrophobicContact CB-CD1 4.46Å; V140-I265 HydrophobicContact CG1-CD1 4.13Å; V140-I265 HydrophobicContact CG2-CD1 4.17Å; V140-I265 HydrophobicContact CG2-CG2 4.28Å; I265-G267 PolarHBondContact O-N 2.95Å; I265-G267 VanDerWaalsContact O-N 3.17Å; I265-S268 VanDerWaalsContact O-CB 3.31Å; I265-S268 WeakPolarHBondContact O-CB 3.48Å; I265-S268 PolarHBondContact O-N 3.07Å; I265-D418 HydrophobicContact CG2-CB 3.93Å; I265-D418 PolarHBondContact N-OD1 3.21Å; I265-I421 HydrophobicContact CD1-CG2 3.9Å; I265-I421 HydrophobicContact CG1-CG2 4.42Å
266	R	98.3	Very high	98.2	Very high	77 Å²	77	51.6 Å²	51.6	29%	0.291	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.4	-166.6	-67.3	-179.5	63.3	90.1	1.4	112.3	D88 G91 D261 K262 G264 S268	D88-R266 WeakPolarHBondContact O-CD 3.48Å; D88-R266 PolarHBondContact O-NE 2.82Å; D88-R266 VanDerWaalsContact OD1-CD 3.27Å; D88-R266 WeakPolarHBondContact OD1-CD 3.24Å; G91-R266 CarbonylContact C-O 3.45Å; G91-R266 VanDerWaalsContact C-O 3.24Å; G91-R266 WeakPolarHBondContact CA-O 3.28Å; G91-R266 VanDerWaalsContact O-O 3.07Å; D261-R266 IonicContact OD1-CZ 3.32Å; D261-R266 VanDerWaalsContact OD1-CZ 3.32Å; D261-R266 IonicContact OD1-NH1 2.78Å; D261-R266 PolarHBondContact OD1-NH1 3.32Å; D261-R266 IonicContact OD1-NH2 3.07Å; D261-R266 PolarHBondContact OD1-NH2 3.48Å; K262-R266 PolarHBondContact O-NH1 3.13Å; G264-R266 PolarHBondContact O-N 3.48Å; G264-R266 VanDerWaalsContact O-N 3.12Å; R266-S268 VanDerWaalsContact C-N 3.28Å; R266-S268 PolarHBondContact O-N 3.5Å
267	G	98.2	Very high	98.2	Very high	5 Å²	5	53.2 Å²	53.2	5%	0.052	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.8	176	0	0	0	0	0	114.5	I93 S137 I265 N269	I93-G267 PolarHBondContact N-O 3.46Å; S137-G267 WeakPolarHBondContact OG-CA 3.26Å; S137-G267 PolarHBondContact OG-N 3.16Å; I265-G267 PolarHBondContact O-N 2.95Å; I265-G267 VanDerWaalsContact O-N 3.17Å; G267-N269 PolarHBondContact O-N 3.2Å
268	S	98.5	Very high	98.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.007	26%	0.259	C	S	.	.	S	Bend	trans	-74.4	124.6	177.7	-177.3	0	0	0	0	109.9	T215 K262 I265 R266 T270	T215-S268 WeakPolarHBondContact CG2-OG 3.11Å; K262-S268 WeakPolarHBondContact CE-O 3.37Å; K262-S268 PolarHBondContact NZ-O 3.12Å; I265-S268 VanDerWaalsContact O-CB 3.31Å; I265-S268 WeakPolarHBondContact O-CB 3.48Å; I265-S268 PolarHBondContact O-N 3.07Å; R266-S268 VanDerWaalsContact C-N 3.28Å; R266-S268 PolarHBondContact O-N 3.5Å; S268-T270 PolarHBondContact O-N 2.97Å
269	N	98.6	Very high	98.3	Very high	22 Å²	22	49.8 Å²	49.8	12%	0.118	25%	0.248	C	C	.	.			trans	-63.6	132.3	172.7	175.4	-93.2	0	0	0	109.8	T215 N216 G217 G218 L219 G267	T215-N269 VanDerWaalsContact CA-O 3.28Å; T215-N269 WeakPolarHBondContact CA-O 3.48Å; N216-N269 WeakPolarHBondContact CA-OD1 3.35Å; N216-N269 PolarHBondContact N-O 2.94Å; G217-N269 PolarHBondContact N-OD1 3.36Å; G218-N269 PolarHBondContact N-OD1 3.2Å; L219-N269 HydrophobicContact CD1-CB 3.72Å; L219-N269 HydrophobicContact CG-CB 3.85Å; G267-N269 PolarHBondContact O-N 3.2Å
270	T	98.7	Very high	98.4	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	125.1	173.9	-48.9	0	0	0	0	106.9	W213 I214 P259 E260 K262 S268	W213-T270 HydrophobicContact CB-CG2 3.97Å; I214-T270 WeakPolarHBondContact O-CA 3.36Å; P259-T270 CarbonylContact C-O 3.57Å; P259-T270 WeakPolarHBondContact CA-O 3.3Å; E260-T270 HydrophobicContact CG-CG2 4.26Å; E260-T270 WeakPolarHBondContact CG-O 3.21Å; E260-T270 PolarHBondContact N-O 3.27Å; K262-T270 HydrophobicContact CD-CG2 4.29Å; K262-T270 WeakPolarHBondContact CE-OG1 3.48Å; K262-T270 PolarHBondContact NZ-OG1 2.94Å; S268-T270 PolarHBondContact O-N 2.97Å
271	C	98.6	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	174.2	179.3	64.3	0	0	0	0	111.1	I214 G218 K258	I214-C271 PolarHBondContact N-O 3.4Å; I214-C271 PolarHBondContact O-N 3.02Å; G218-C271 PolarHBondContact N-SG 3.42Å; K258-C271 WeakPolarHBondContact O-CB 3.26Å
272	E	98.6	Very high	98.5	Very high	72 Å²	72	40.3 Å²	40.3	34%	0.336	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	150.9	163.1	-63.8	-176	156.2	0	0	110.9	K211 V212 N256 G257 H274	K211-E272 CarbonylContact O-C 3.28Å; K211-E272 WeakPolarHBondContact O-CA 3.41Å; V212-E272 HydrophobicContact CB-CG 4.48Å; V212-E272 HydrophobicContact CG2-CG 4.08Å; N256-E272 CarbonylContact C-O 3.59Å; N256-E272 WeakPolarHBondContact CA-O 3.33Å; N256-E272 WeakPolarHBondContact CB-O 3.22Å; G257-E272 PolarHBondContact N-O 3.05Å; E272-H274 IonicContact OE2-CE1 3.26Å; E272-H274 PolarHBondContact OE2-CE1 3.01Å; E272-H274 VanDerWaalsContact OE2-CE1 3.26Å; E272-H274 IonicContact OE2-NE2 3.61Å
273	V	98.8	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.8	171.1	-178	0	0	0	0	108.1	S210 K211 I214 F223 V254 T255 N256 F275	S210-V273 WeakPolarHBondContact CA-O 3.23Å; K211-V273 HydrophobicContact CB-CB 4.48Å; K211-V273 PolarHBondContact N-O 3.26Å; K211-V273 PolarHBondContact O-N 3.36Å; I214-V273 HydrophobicContact CB-CG2 3.89Å; I214-V273 HydrophobicContact CG1-CB 4.49Å; I214-V273 HydrophobicContact CG1-CG2 4.08Å; I214-V273 HydrophobicContact CG2-CG2 4.04Å; F223-V273 HydrophobicContact CD1-CG1 4.49Å; F223-V273 HydrophobicContact CE1-CG1 4.03Å; F223-V273 HydrophobicContact CE1-CG2 4.16Å; F223-V273 HydrophobicContact CZ-CG1 4.31Å; V254-V273 HydrophobicContact CG1-CG1 4.23Å; T255-V273 CarbonylContact O-C 3.55Å; T255-V273 WeakPolarHBondContact O-CA 3.41Å; N256-V273 HydrophobicContact CB-CG2 4.38Å; V273-F275 HydrophobicContact CB-CE2 4.49Å; V273-F275 HydrophobicContact CG1-CE1 4.22Å; V273-F275 HydrophobicContact CG1-CE2 3.88Å; V273-F275 HydrophobicContact CG1-CZ 3.61Å
274	H	98.8	Very high	98.5	Very high	48 Å²	48	39 Å²	39	22%	0.222	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.5	-177	-46.3	-76.6	0	0	0	110.2	S210 V254 T255 E272	S210-H274 PolarHBondContact OG-ND1 3.22Å; V254-H274 WeakPolarHBondContact CA-O 3.49Å; T255-H274 PolarHBondContact N-O 2.8Å; T255-H274 PolarHBondContact O-N 3.46Å; E272-H274 IonicContact OE2-CE1 3.26Å; E272-H274 PolarHBondContact OE2-CE1 3.01Å; E272-H274 VanDerWaalsContact OE2-CE1 3.26Å; E272-H274 IonicContact OE2-NE2 3.61Å
275	F	98.8	Very high	98.6	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.9	174.8	-55.3	-84.4	0	0	0	107.5	L207 N208 G209 K211 V225 V247 G253 V254 V273	L207-F275 HydrophobicContact CD2-CB 3.99Å; L207-F275 HydrophobicContact CD2-CD1 3.61Å; L207-F275 HydrophobicContact CD2-CD2 4.28Å; L207-F275 HydrophobicContact CD2-CE1 4.16Å; L207-F275 HydrophobicContact CD2-CG 3.68Å; L207-F275 HydrophobicContact CG-CB 3.84Å; L207-F275 HydrophobicContact CG-CD1 4.4Å; L207-F275 HydrophobicContact CG-CG 4.06Å; N208-F275 VanDerWaalsContact CA-O 3.3Å; N208-F275 WeakPolarHBondContact CA-O 3.42Å; G209-F275 PolarHBondContact N-O 2.96Å; G209-F275 PolarHBondContact O-N 3.42Å; K211-F275 HydrophobicContact CG-CE2 3.87Å; V225-F275 HydrophobicContact CB-CZ 4.49Å; V225-F275 HydrophobicContact CG1-CE2 4Å; V225-F275 HydrophobicContact CG1-CZ 4.09Å; V225-F275 HydrophobicContact CG2-CE1 3.93Å; V225-F275 HydrophobicContact CG2-CE2 4.26Å; V225-F275 HydrophobicContact CG2-CZ 3.53Å; V247-F275 HydrophobicContact CB-CE1 4.5Å; V247-F275 HydrophobicContact CG1-CD1 4.34Å; V247-F275 HydrophobicContact CG1-CE1 3.96Å; G253-F275 CarbonylContact O-C 3.58Å; G253-F275 WeakPolarHBondContact O-CA 3.25Å; V254-F275 HydrophobicContact CG1-CD1 4.28Å; V254-F275 HydrophobicContact CG1-CE1 3.96Å; V254-F275 HydrophobicContact CG2-CD1 3.98Å; V254-F275 HydrophobicContact CG2-CE1 4.18Å; V273-F275 HydrophobicContact CB-CE2 4.49Å; V273-F275 HydrophobicContact CG1-CE1 4.22Å; V273-F275 HydrophobicContact CG1-CE2 3.88Å; V273-F275 HydrophobicContact CG1-CZ 3.61Å
276	E	98.6	Very high	98.6	Very high	138 Å²	138	39.2 Å²	39.2	65%	0.645	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	104.5	179.6	-174.6	175	-174.9	0	0	109.5	G253 T278	G253-E276 VanDerWaalsContact CA-O 3.25Å; G253-E276 WeakPolarHBondContact CA-O 3.35Å; G253-E276 PolarHBondContact O-N 3.43Å; E276-T278 PolarHBondContact O-N 2.84Å; E276-T278 VanDerWaalsContact O-N 3.13Å
277	N	98.5	Very high	98.5	Very high	94 Å²	94	37.5 Å²	37.5	50%	0.503	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.2	34	-177	-57.7	-55.2	0	0	0	113.9	I206 L207 N208 K279	I206-N277 HydrophobicContact CG2-CB 4.14Å; L207-N277 PolarHBondContact O-N 3.49Å; N208-N277 PolarHBondContact ND2-OD1 3.22Å; N208-N277 VanDerWaalsContact ND2-OD1 3.1Å; N208-N277 PolarHBondContact OD1-N 3.42Å; N208-N277 PolarHBondContact OD1-OD1 2.85Å; N277-K279 PolarHBondContact O-N 3.19Å
278	T	98.8	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	123.2	179.5	-64.4	0	0	0	0	109.9	L207 V247 F251 G252 G253 V254 E276 V280	L207-T278 PolarHBondContact N-O 2.87Å; L207-T278 PolarHBondContact O-N 3.14Å; L207-T278 VanDerWaalsContact O-N 3.1Å; V247-T278 HydrophobicContact CG1-CG2 3.98Å; F251-T278 HydrophobicContact CB-CG2 4.03Å; G252-T278 WeakPolarHBondContact O-CA 3.22Å; G252-T278 WeakPolarHBondContact O-CB 3.34Å; G252-T278 WeakPolarHBondContact O-CG2 3.05Å; G252-T278 PolarHBondContact O-OG1 3.3Å; G253-T278 VanDerWaalsContact C-OG1 3.27Å; G253-T278 PolarHBondContact O-OG1 3.32Å; V254-T278 HydrophobicContact CG2-CG2 3.83Å; E276-T278 PolarHBondContact O-N 2.84Å; E276-T278 VanDerWaalsContact O-N 3.13Å; T278-V280 HydrophobicContact CG2-CG2 3.97Å; T278-V280 PolarHBondContact O-N 3.38Å
279	K	98.7	Very high	98.3	Very high	125 Å²	125	47.4 Å²	47.4	54%	0.543	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	103.4	180	-64.6	-176.1	176.9	177.3	0	109.9	Y205 I206 N277	Y205-K279 CarbonylContact O-C 3.06Å; Y205-K279 WeakPolarHBondContact O-CA 3.25Å; I206-K279 HydrophobicContact CD1-CG 3.79Å; N277-K279 PolarHBondContact O-N 3.19Å
280	V	98.8	Very high	98.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.6	-179.7	-173.4	0	0	0	0	109.4	H204 Y205 L207 F245 V247 F251 T278 N284	H204-V280 CarbonylContact C-O 3.56Å; H204-V280 WeakPolarHBondContact CA-O 3.39Å; H204-V280 VanDerWaalsContact CB-O 3.29Å; H204-V280 WeakPolarHBondContact CB-O 3.34Å; Y205-V280 PolarHBondContact N-O 3.41Å; Y205-V280 PolarHBondContact O-N 3.04Å; L207-V280 HydrophobicContact CB-CG2 4.04Å; L207-V280 HydrophobicContact CD2-CG2 4.21Å; F245-V280 HydrophobicContact CB-CG1 4.21Å; F245-V280 HydrophobicContact CD1-CG1 3.83Å; F245-V280 HydrophobicContact CG-CG1 4.36Å; V247-V280 HydrophobicContact CG1-CG2 4.37Å; V247-V280 HydrophobicContact CG2-CG1 4.28Å; V247-V280 HydrophobicContact CG2-CG2 3.87Å; F251-V280 HydrophobicContact CE2-CG1 4.45Å; T278-V280 HydrophobicContact CG2-CG2 3.97Å; T278-V280 PolarHBondContact O-N 3.38Å; V280-N284 HydrophobicContact CG1-CB 3.87Å
281	P	98.6	Very high	98.1	Very high	27 Å²	27	47.9 Å²	47.9	18%	0.175	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	150.4	179.7	-23.9	33.8	0	0	0	113.1	F251 E283 N284	F251-P281 VanDerWaalsContact CE2-CD 3.48Å; F251-P281 HydrophobicContact CE2-CG 4.38Å; F251-P281 HydrophobicContact CZ-CG 4.11Å; P281-E283 HydrophobicContact CB-CG 4.09Å; P281-E283 VanDerWaalsContact CB-OE1 3.28Å; P281-E283 WeakPolarHBondContact CB-OE1 3.38Å; P281-E283 WeakPolarHBondContact CB-OE2 3.31Å; P281-E283 PolarHBondContact O-N 2.67Å; P281-N284 WeakPolarHBondContact O-CB 3.5Å; P281-N284 PolarHBondContact O-N 3.19Å
282	V	98.3	Very high	98	Very high	51 Å²	51	47.9 Å²	47.9	31%	0.309	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-64.6	-30.4	-179.8	-70.5	0	0	0	0	112.7	L198 K202 K203 Y205 N284 I285	L198-V282 HydrophobicContact CD1-CG1 3.88Å; K202-V282 WeakPolarHBondContact O-CG1 3.49Å; K203-V282 PolarHBondContact O-N 3.01Å; K203-V282 VanDerWaalsContact O-N 3.1Å; Y205-V282 HydrophobicContact CD2-CG1 4.22Å; Y205-V282 HydrophobicContact CE2-CG1 3.99Å; V282-N284 PolarHBondContact O-N 3.37Å; V282-I285 WeakPolarHBondContact O-CB 3.05Å; V282-I285 WeakPolarHBondContact O-CD1 3.29Å; V282-I285 WeakPolarHBondContact O-CG1 3.29Å; V282-I285 PolarHBondContact O-N 2.86Å
283	E	98.3	Very high	97.9	Very high	123 Å²	123	48.8 Å²	48.8	58%	0.575	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-68.8	-8.9	173.8	68.2	-88.7	-154.8	0	0	113.4	Q161 P281	Q161-E283 PolarHBondContact NE2-O 3.39Å; P281-E283 HydrophobicContact CB-CG 4.09Å; P281-E283 VanDerWaalsContact CB-OE1 3.28Å; P281-E283 WeakPolarHBondContact CB-OE1 3.38Å; P281-E283 WeakPolarHBondContact CB-OE2 3.31Å; P281-E283 PolarHBondContact O-N 2.67Å
284	N	98.7	Very high	97.7	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-94.4	4	175.4	-87.2	52.3	0	0	0	112.9	Y165 F245 I246 F251 V280 P281 V282 L286	Y165-N284 PolarHBondContact OH-ND2 2.93Å; Y165-N284 PolarHBondContact OH-OD1 3.04Å; F245-N284 CarbonylContact C-O 3.39Å; F245-N284 WeakPolarHBondContact CA-O 3.38Å; I246-N284 PolarHBondContact N-O 3.03Å; I246-N284 WeakPolarHBondContact O-CB 3.26Å; I246-N284 PolarHBondContact O-ND2 3.43Å; F251-N284 WeakPolarHBondContact CE2-ND2 3.49Å; F251-N284 WeakPolarHBondContact CZ-ND2 3.44Å; V280-N284 HydrophobicContact CG1-CB 3.87Å; P281-N284 WeakPolarHBondContact O-CB 3.5Å; P281-N284 PolarHBondContact O-N 3.19Å; V282-N284 PolarHBondContact O-N 3.37Å; N284-L286 PolarHBondContact O-N 2.94Å
285	I	98.7	Very high	97.6	Very high	24 Å²	24	54.3 Å²	54.3	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.8	166.1	-67.4	162.3	0	0	0	108.9	Q161 Y205 T243 F245 V282 V289	Q161-I285 PolarHBondContact NE2-O 3.16Å; Y205-I285 HydrophobicContact CD2-CD1 4.37Å; Y205-I285 HydrophobicContact CE2-CD1 3.5Å; Y205-I285 HydrophobicContact CE2-CG1 4.11Å; T243-I285 HydrophobicContact CG2-CG1 4.36Å; T243-I285 HydrophobicContact CG2-CG2 3.88Å; F245-I285 HydrophobicContact CD1-CG1 4.04Å; F245-I285 HydrophobicContact CE1-CG1 3.7Å; V282-I285 WeakPolarHBondContact O-CB 3.05Å; V282-I285 WeakPolarHBondContact O-CD1 3.29Å; V282-I285 WeakPolarHBondContact O-CG1 3.29Å; V282-I285 PolarHBondContact O-N 2.86Å; I285-V289 HydrophobicContact CD1-CG2 3.56Å; I285-V289 HydrophobicContact CG2-CG2 4.35Å
286	L	98.1	Very high	97.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.3	-179	-173.8	59.1	0	0	0	110.4	A156 T224 A244 I246 N284 V295	A156-L286 HydrophobicContact CB-CD1 4.23Å; A156-L286 HydrophobicContact CB-CG 4.32Å; T224-L286 HydrophobicContact CG2-CD2 4.03Å; A244-L286 HydrophobicContact CB-CB 4.09Å; A244-L286 PolarHBondContact O-N 3.26Å; I246-L286 HydrophobicContact CD1-CD1 4.26Å; I246-L286 HydrophobicContact CG1-CB 4.31Å; I246-L286 HydrophobicContact CG1-CD1 4.36Å; I246-L286 HydrophobicContact CG1-CD2 4.33Å; N284-L286 PolarHBondContact O-N 2.94Å; L286-V295 HydrophobicContact CD2-CG1 4.44Å
287	G	97	Very high	97.1	Very high	40 Å²	40	49.8 Å²	49.8	41%	0.412	26%	0.264	S	S	.	.	S	Bend	trans	80.3	-130.2	-168.4	0	0	0	0	0	111.7	A156	A156-G287 PolarHBondContact O-N 3.41Å
288	E	96.1	Very high	96.8	Very high	154 Å²	154	49 Å²	49	72%	0.72	26%	0.26	S	S	*	.	S	Bend	trans	-111.8	150.2	-175.8	-65.3	175.6	-178.6	0	0	111.6	G290 G291	E288-G290 PolarHBondContact O-N 3.23Å; E288-G291 WeakPolarHBondContact O-CA 3.32Å; E288-G291 PolarHBondContact O-N 3.01Å
289	V	97.1	Very high	96.6	Very high	61 Å²	61	49 Å²	49	37%	0.37	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	126.3	169.6	-177.7	0	0	0	0	109.3	V231 I285 G291	V231-V289 HydrophobicContact CG2-CG1 3.92Å; I285-V289 HydrophobicContact CD1-CG2 3.56Å; I285-V289 HydrophobicContact CG2-CG2 4.35Å; V289-G291 PolarHBondContact O-N 2.88Å
290	G	96.3	Very high	96.2	Very high	21 Å²	21	44 Å²	44	22%	0.216	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	-2.2	-173.6	0	0	0	0	0	115.2	K241 I242 T243 E288	K241-G290 VanDerWaalsContact CB-CA 3.49Å; I242-G290 CarbonylContact O-C 3.56Å; I242-G290 VanDerWaalsContact O-CA 3.29Å; I242-G290 WeakPolarHBondContact O-CA 3.36Å; T243-G290 PolarHBondContact OG1-N 3.09Å; E288-G290 PolarHBondContact O-N 3.23Å
291	G	96.4	Very high	95.7	Very high	20 Å²	20	45.2 Å²	45.2	21%	0.206	25%	0.246	C	C	.	.			trans	-90.6	1.4	178.8	0	0	0	0	0	114.8	I242 E288 V289 F293 K294 V295	I242-G291 PolarHBondContact O-N 3.32Å; E288-G291 WeakPolarHBondContact O-CA 3.32Å; E288-G291 PolarHBondContact O-N 3.01Å; V289-G291 PolarHBondContact O-N 2.88Å; G291-F293 VanDerWaalsContact C-N 3.35Å; G291-F293 PolarHBondContact O-N 3.42Å; G291-K294 WeakPolarHBondContact O-CB 3.44Å; G291-K294 PolarHBondContact O-N 3.32Å; G291-K294 VanDerWaalsContact O-N 3.14Å; G291-V295 PolarHBondContact O-N 3.48Å
292	G	97.1	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-31.4	-170.9	0	0	0	0	0	114.8	F226 I242 K294 V295 A296	F226-G292 WeakPolarHBondContact CE1-O 3.39Å; I242-G292 VanDerWaalsContact O-CA 3.28Å; I242-G292 WeakPolarHBondContact O-CA 3.4Å; I242-G292 PolarHBondContact O-N 3.08Å; G292-K294 VanDerWaalsContact C-N 3.34Å; G292-K294 PolarHBondContact O-N 3.02Å; G292-V295 WeakPolarHBondContact O-CB 3.45Å; G292-V295 PolarHBondContact O-N 2.88Å; G292-A296 PolarHBondContact O-N 2.93Å
293	F	95.6	Very high	94.1	Very high	90 Å²	90	43 Å²	43	40%	0.395	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-40.3	175.4	-174.7	-97.8	0	0	0	111.9	A189 A190 I242 G291 V295 A296 M297	A189-F293 HydrophobicContact CB-CE2 4.27Å; A190-F293 HydrophobicContact CB-CD2 4.37Å; A190-F293 HydrophobicContact CB-CE2 4.07Å; I242-F293 HydrophobicContact CB-CB 4.49Å; I242-F293 HydrophobicContact CD1-CB 4.41Å; I242-F293 HydrophobicContact CD1-CD2 4.16Å; G291-F293 VanDerWaalsContact C-N 3.35Å; G291-F293 PolarHBondContact O-N 3.42Å; F293-V295 VanDerWaalsContact C-N 3.34Å; F293-A296 PolarHBondContact O-N 3.02Å; F293-M297 HydrophobicContact CD1-CG 4.16Å; F293-M297 HydrophobicContact CE1-CG 3.75Å; F293-M297 HydrophobicContact CE1-SD 4.49Å; F293-M297 HydrophobicContact CE2-CE 4.27Å; F293-M297 HydrophobicContact CZ-CE 4.36Å; F293-M297 HydrophobicContact CZ-CG 3.98Å; F293-M297 HydrophobicContact CZ-SD 4.15Å; F293-M297 WeakPolarHBondContact O-CG 3.48Å; F293-M297 PolarHBondContact O-N 3.32Å
294	K	94.8	Very high	93.7	Very high	150 Å²	150	37.9 Å²	37.9	65%	0.652	21%	0.209	S	C	*	.	H	α-helix	trans	-64.7	-40.8	175.3	-177	-176.7	175.8	-172.1	0	110.8	G291 G292 M297 N298	G291-K294 WeakPolarHBondContact O-CB 3.44Å; G291-K294 PolarHBondContact O-N 3.32Å; G291-K294 VanDerWaalsContact O-N 3.14Å; G292-K294 VanDerWaalsContact C-N 3.34Å; G292-K294 PolarHBondContact O-N 3.02Å; K294-M297 PolarHBondContact O-N 3.11Å; K294-N298 WeakPolarHBondContact O-CB 3.28Å; K294-N298 VanDerWaalsContact O-CG 3.24Å; K294-N298 PolarHBondContact O-N 3.42Å
295	V	96.3	Very high	93.3	Very high	15 Å²	15	37.8 Å²	37.8	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-49.2	174.6	175.4	0	0	0	0	110.6	A156 F226 A244 L286 G291 G292 F293 M297 N298 I299	A156-V295 HydrophobicContact CB-CG2 4.32Å; F226-V295 HydrophobicContact CE1-CB 4.47Å; F226-V295 HydrophobicContact CE1-CG1 4.34Å; A244-V295 HydrophobicContact CB-CB 4.23Å; A244-V295 HydrophobicContact CB-CG1 4.05Å; L286-V295 HydrophobicContact CD2-CG1 4.44Å; G291-V295 PolarHBondContact O-N 3.48Å; G292-V295 WeakPolarHBondContact O-CB 3.45Å; G292-V295 PolarHBondContact O-N 2.88Å; F293-V295 VanDerWaalsContact C-N 3.34Å; V295-M297 PolarHBondContact O-N 3.16Å; V295-N298 PolarHBondContact O-N 3.26Å; V295-I299 HydrophobicContact CG1-CD1 3.76Å; V295-I299 HydrophobicContact CG1-CG1 4.46Å; V295-I299 VanDerWaalsContact O-CG1 3.29Å; V295-I299 WeakPolarHBondContact O-CG1 3.44Å; V295-I299 PolarHBondContact O-N 3.26Å
296	A	94.9	Very high	92.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-47.8	177.5	0	0	0	0	0	112.1	L180 F226 G292 F293 I299 L300	L180-A296 HydrophobicContact CD2-CB 4.44Å; F226-A296 HydrophobicContact CD1-CB 4.03Å; F226-A296 HydrophobicContact CE1-CB 3.54Å; F226-A296 HydrophobicContact CE2-CB 4.49Å; F226-A296 HydrophobicContact CZ-CB 3.81Å; G292-A296 PolarHBondContact O-N 2.93Å; F293-A296 PolarHBondContact O-N 3.02Å; A296-I299 PolarHBondContact O-N 3.48Å; A296-L300 WeakPolarHBondContact O-CG 3.38Å; A296-L300 PolarHBondContact O-N 2.88Å
297	M	92.4	Very high	92.8	Very high	46 Å²	46	38.4 Å²	38.4	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-39.3	-179.6	-67.3	-56.6	100.3	0	0	112.3	F293 K294 V295 L300 N301	F293-M297 HydrophobicContact CD1-CG 4.16Å; F293-M297 HydrophobicContact CE1-CG 3.75Å; F293-M297 HydrophobicContact CE1-SD 4.49Å; F293-M297 HydrophobicContact CE2-CE 4.27Å; F293-M297 HydrophobicContact CZ-CE 4.36Å; F293-M297 HydrophobicContact CZ-CG 3.98Å; F293-M297 HydrophobicContact CZ-SD 4.15Å; F293-M297 WeakPolarHBondContact O-CG 3.48Å; F293-M297 PolarHBondContact O-N 3.32Å; K294-M297 PolarHBondContact O-N 3.11Å; V295-M297 PolarHBondContact O-N 3.16Å; M297-L300 HydrophobicContact CE-CD1 3.71Å; M297-L300 PolarHBondContact O-N 3.42Å; M297-N301 VanDerWaalsContact O-CB 3.24Å; M297-N301 WeakPolarHBondContact O-CB 3.45Å; M297-N301 PolarHBondContact O-N 3.14Å; M297-N301 PolarHBondContact O-ND2 3.27Å
298	N	92	Very high	92.7	Very high	79 Å²	79	36.5 Å²	36.5	42%	0.422	19%	0.193	S	C	.	.	H	α-helix	trans	-63.9	-41.7	176.1	-75.5	-8.4	0	0	0	111.8	K294 V295 S302	K294-N298 WeakPolarHBondContact O-CB 3.28Å; K294-N298 VanDerWaalsContact O-CG 3.24Å; K294-N298 PolarHBondContact O-N 3.42Å; V295-N298 PolarHBondContact O-N 3.26Å; N298-S302 WeakPolarHBondContact O-CB 3.27Å; N298-S302 PolarHBondContact O-N 3.26Å; N298-S302 PolarHBondContact O-OG 3.01Å
299	I	93.9	Very high	92.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.5	-56.7	175.4	-71	164.8	0	0	0	110.2	I148 K151 G152 L155 F178 T224 F226 V295 A296 N301 S302 G303	I148-I299 HydrophobicContact CB-CG2 3.9Å; I148-I299 HydrophobicContact CG2-CG2 3.9Å; K151-I299 HydrophobicContact CB-CG1 4.44Å; K151-I299 HydrophobicContact CB-CG2 4.12Å; K151-I299 HydrophobicContact CG-CG1 4.31Å; K151-I299 HydrophobicContact CG-CG2 4.23Å; G152-I299 VanDerWaalsContact CA-CD1 3.5Å; L155-I299 HydrophobicContact CD1-CG1 4.48Å; F178-I299 HydrophobicContact CD2-CG2 4.29Å; F178-I299 HydrophobicContact CE2-CB 4.39Å; F178-I299 HydrophobicContact CE2-CD1 3.99Å; F178-I299 HydrophobicContact CE2-CG2 3.91Å; T224-I299 HydrophobicContact CG2-CD1 4.35Å; F226-I299 HydrophobicContact CZ-CD1 4.17Å; V295-I299 HydrophobicContact CG1-CD1 3.76Å; V295-I299 HydrophobicContact CG1-CG1 4.46Å; V295-I299 VanDerWaalsContact O-CG1 3.29Å; V295-I299 WeakPolarHBondContact O-CG1 3.44Å; V295-I299 PolarHBondContact O-N 3.26Å; A296-I299 PolarHBondContact O-N 3.48Å; I299-N301 VanDerWaalsContact C-N 3.33Å; I299-N301 PolarHBondContact O-N 3.1Å; I299-S302 PolarHBondContact O-N 3.17Å; I299-S302 VanDerWaalsContact O-N 3.1Å; I299-S302 PolarHBondContact O-OG 2.71Å; I299-G303 PolarHBondContact O-N 3.01Å
300	L	90.9	Very high	92.6	Very high	18 Å²	18	27.1 Å²	27.1	9%	0.094	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-43.6	-178.4	-66.2	170.7	0	0	0	111.7	I148 A296 M297 S302 G303 R304 E426	I148-L300 HydrophobicContact CG2-CD2 4.41Å; A296-L300 WeakPolarHBondContact O-CG 3.38Å; A296-L300 PolarHBondContact O-N 2.88Å; M297-L300 HydrophobicContact CE-CD1 3.71Å; M297-L300 PolarHBondContact O-N 3.42Å; L300-S302 VanDerWaalsContact C-N 3.29Å; L300-S302 PolarHBondContact O-N 3.16Å; L300-G303 PolarHBondContact O-N 2.94Å; L300-R304 VanDerWaalsContact O-CG 3.22Å; L300-R304 WeakPolarHBondContact O-CG 3.4Å; L300-R304 PolarHBondContact O-N 3.07Å; L300-R304 VanDerWaalsContact O-N 3.16Å; L300-E426 VanDerWaalsContact CD2-OE2 3.29Å; L300-E426 WeakPolarHBondContact CD2-OE2 3.42Å
301	N	87.8	Confident	92.7	Very high	27 Å²	27	26.3 Å²	26.3	14%	0.144	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-34.2	178.4	-71.9	-18.5	0	0	0	112.5	M297 I299 G303 R304	M297-N301 VanDerWaalsContact O-CB 3.24Å; M297-N301 WeakPolarHBondContact O-CB 3.45Å; M297-N301 PolarHBondContact O-N 3.14Å; M297-N301 PolarHBondContact O-ND2 3.27Å; I299-N301 VanDerWaalsContact C-N 3.33Å; I299-N301 PolarHBondContact O-N 3.1Å; N301-G303 VanDerWaalsContact C-N 3.34Å; N301-R304 PolarHBondContact OD1-NH1 2.99Å
302	S	86.1	Confident	92.8	Very high	25 Å²	25	25.4 Å²	25.4	18%	0.175	13%	0.13	C	C	.	.	H	α-helix	trans	-72.3	-24.7	178.4	75.4	0	0	0	0	113.7	K151 N298 I299 L300 F305	K151-S302 WeakPolarHBondContact CG-OG 3.34Å; N298-S302 WeakPolarHBondContact O-CB 3.27Å; N298-S302 PolarHBondContact O-N 3.26Å; N298-S302 PolarHBondContact O-OG 3.01Å; I299-S302 PolarHBondContact O-N 3.17Å; I299-S302 VanDerWaalsContact O-N 3.1Å; I299-S302 PolarHBondContact O-OG 2.71Å; L300-S302 VanDerWaalsContact C-N 3.29Å; L300-S302 PolarHBondContact O-N 3.16Å; S302-F305 WeakPolarHBondContact O-CD1 3.28Å; S302-F305 WeakPolarHBondContact O-CE1 3.38Å
303	G	77.3	Confident	92.8	Very high	6 Å²	6	25.8 Å²	25.8	6%	0.062	13%	0.134	C	C	.	.	H	α-helix	trans	-98	-29.1	-175.8	0	0	0	0	0	115	I299 L300 N301 F305 S306	I299-G303 PolarHBondContact O-N 3.01Å; L300-G303 PolarHBondContact O-N 2.94Å; N301-G303 VanDerWaalsContact C-N 3.34Å; G303-F305 VanDerWaalsContact C-N 3.3Å; G303-F305 PolarHBondContact O-N 3.13Å; G303-F305 VanDerWaalsContact O-N 3.13Å; G303-S306 WeakPolarHBondContact O-CB 3.47Å; G303-S306 PolarHBondContact O-N 3.48Å; G303-S306 PolarHBondContact O-OG 3.24Å
304	R	90.9	Very high	92.9	Very high	16 Å²	16	22.7 Å²	22.7	6%	0.06	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.2	-168.5	-86.1	167.7	-178	156.1	2.3	115.6	L300 N301 S306 M307 A379 K383 E426	L300-R304 VanDerWaalsContact O-CG 3.22Å; L300-R304 WeakPolarHBondContact O-CG 3.4Å; L300-R304 PolarHBondContact O-N 3.07Å; L300-R304 VanDerWaalsContact O-N 3.16Å; N301-R304 PolarHBondContact OD1-NH1 2.99Å; R304-S306 PolarHBondContact O-N 3.1Å; R304-M307 WeakPolarHBondContact O-CB 3.25Å; R304-M307 PolarHBondContact O-N 3.19Å; R304-A379 HydrophobicContact CB-CB 4.02Å; R304-K383 HydrophobicContact CB-CB 4.41Å; R304-K383 HydrophobicContact CG-CG 4.4Å; R304-E426 PolarHBondContact NE-O 2.87Å; R304-E426 PolarHBondContact NH2-O 3.42Å
305	F	90.7	Very high	93	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-33	-178.7	78.1	-86.9	0	0	0	111.8	N122 Y125 S126 S302 G303 M307 G308 T360 T363 A364 L367 A379 V382	N122-F305 HydrophobicContact CB-CE1 4.25Å; N122-F305 HydrophobicContact CB-CE2 3.89Å; N122-F305 HydrophobicContact CB-CZ 3.44Å; N122-F305 VanDerWaalsContact CB-CZ 3.44Å; N122-F305 WeakPolarHBondContact OD1-CZ 3.35Å; Y125-F305 HydrophobicContact CD1-CZ 4.48Å; S126-F305 WeakPolarHBondContact OG-CE2 3.22Å; S302-F305 WeakPolarHBondContact O-CD1 3.28Å; S302-F305 WeakPolarHBondContact O-CE1 3.38Å; G303-F305 VanDerWaalsContact C-N 3.3Å; G303-F305 PolarHBondContact O-N 3.13Å; G303-F305 VanDerWaalsContact O-N 3.13Å; F305-M307 PolarHBondContact O-N 3.03Å; F305-G308 PolarHBondContact O-N 3.22Å; F305-T360 HydrophobicContact CD2-CG2 4.24Å; F305-T360 WeakPolarHBondContact O-CG2 3.35Å; F305-T363 HydrophobicContact CB-CG2 3.72Å; F305-T363 HydrophobicContact CG-CG2 4.32Å; F305-A364 HydrophobicContact CD2-CB 4.03Å; F305-A364 HydrophobicContact CE2-CB 3.76Å; F305-L367 HydrophobicContact CD1-CD1 3.46Å; F305-L367 VanDerWaalsContact CD1-CD1 3.46Å; F305-L367 HydrophobicContact CE1-CD1 3.64Å; F305-L367 HydrophobicContact CG-CD1 4.02Å; F305-L367 HydrophobicContact CZ-CD1 4.35Å; F305-A379 HydrophobicContact CB-CB 4.16Å; F305-V382 WeakPolarHBondContact O-CG1 3.43Å
306	S	89.8	Confident	93.1	Very high	16 Å²	16	18.4 Å²	18.4	11%	0.112	10%	0.101	C	C	.	.	H	α-helix	trans	-67.3	-17.7	-176.6	68.7	0	0	0	0	114.5	G303 R304 G308 S309 A310	G303-S306 WeakPolarHBondContact O-CB 3.47Å; G303-S306 PolarHBondContact O-N 3.48Å; G303-S306 PolarHBondContact O-OG 3.24Å; R304-S306 PolarHBondContact O-N 3.1Å; S306-G308 PolarHBondContact O-N 3.28Å; S306-S309 PolarHBondContact O-N 3.3Å; S306-S309 PolarHBondContact O-OG 2.87Å; S306-S309 VanDerWaalsContact O-OG 3.05Å; S306-A310 PolarHBondContact O-N 3.48Å
307	M	94.8	Very high	93.1	Very high	21 Å²	21	24 Å²	24	10%	0.103	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-35.7	171	-174	175.6	-59.3	0	0	111.1	R304 F305 S309 A310 V311 K383 L422 F425 E426	R304-M307 WeakPolarHBondContact O-CB 3.25Å; R304-M307 PolarHBondContact O-N 3.19Å; F305-M307 PolarHBondContact O-N 3.03Å; M307-S309 PolarHBondContact O-N 2.98Å; M307-A310 PolarHBondContact O-N 3.11Å; M307-V311 HydrophobicContact CG-CG2 4.15Å; M307-V311 WeakPolarHBondContact O-CB 3.07Å; M307-V311 VanDerWaalsContact O-CG2 3.24Å; M307-V311 WeakPolarHBondContact O-CG2 3.25Å; M307-V311 PolarHBondContact O-N 3.18Å; M307-K383 HydrophobicContact CE-CD 4.24Å; M307-K383 HydrophobicContact CE-CG 3.89Å; M307-K383 HydrophobicContact SD-CD 3.92Å; M307-K383 HydrophobicContact SD-CG 3.79Å; M307-L422 HydrophobicContact SD-CB 4.39Å; M307-L422 HydrophobicContact SD-CD2 4.41Å; M307-F425 HydrophobicContact CE-CD1 4.13Å; M307-F425 HydrophobicContact CE-CE1 3.42Å; M307-F425 VanDerWaalsContact CE-CE1 3.42Å; M307-F425 HydrophobicContact CE-CZ 4.22Å; M307-F425 HydrophobicContact SD-CE1 4.46Å; M307-E426 HydrophobicContact CE-CB 4.02Å; M307-E426 HydrophobicContact CE-CG 4.07Å
308	G	96.5	Very high	93.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.3	-36.1	-177.4	0	0	0	0	0	113.5	F305 S306 A312 T360	F305-G308 PolarHBondContact O-N 3.22Å; S306-G308 PolarHBondContact O-N 3.28Å; G308-A312 VanDerWaalsContact O-CB 3.24Å; G308-A312 WeakPolarHBondContact O-CB 3.45Å; G308-A312 PolarHBondContact O-N 3.43Å; G308-T360 VanDerWaalsContact C-OG1 3.27Å; G308-T360 WeakPolarHBondContact CA-OG1 3.29Å
309	S	95.3	Very high	93.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	10%	0.1	C	C	.	.	H	α-helix	trans	-74	-41.9	176.4	56.5	0	0	0	0	111.6	S126 S306 M307 V311 A312 G313	S126-S309 WeakPolarHBondContact CA-OG 3.45Å; S126-S309 VanDerWaalsContact O-CB 3.23Å; S126-S309 WeakPolarHBondContact O-CB 3.35Å; S126-S309 PolarHBondContact O-OG 2.83Å; S306-S309 PolarHBondContact O-N 3.3Å; S306-S309 PolarHBondContact O-OG 2.87Å; S306-S309 VanDerWaalsContact O-OG 3.05Å; M307-S309 PolarHBondContact O-N 2.98Å; S309-V311 VanDerWaalsContact C-N 3.34Å; S309-V311 PolarHBondContact O-N 3.03Å; S309-A312 PolarHBondContact O-N 3.21Å; S309-G313 PolarHBondContact O-N 2.91Å
310	A	95.8	Very high	93.9	Very high	16 Å²	16	24.6 Å²	24.6	13%	0.132	12%	0.123	C	C	.	.	H	α-helix	trans	-58.6	-47.7	174.5	0	0	0	0	0	111	S133 T139 S306 M307 A312 G313 M314	S133-A310 WeakPolarHBondContact CB-O 3.49Å; S133-A310 PolarHBondContact OG-O 3.38Å; T139-A310 HydrophobicContact CG2-CB 4.17Å; S306-A310 PolarHBondContact O-N 3.48Å; M307-A310 PolarHBondContact O-N 3.11Å; A310-A312 PolarHBondContact O-N 2.95Å; A310-G313 PolarHBondContact O-N 2.92Å; A310-M314 PolarHBondContact O-N 3.24Å; A310-M314 VanDerWaalsContact O-N 3.13Å
311	V	97.6	Very high	94.2	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-40.5	177	175.1	0	0	0	0	111.7	M307 S309 G313 M314 L315 M356 A390 L422	M307-V311 HydrophobicContact CG-CG2 4.15Å; M307-V311 WeakPolarHBondContact O-CB 3.07Å; M307-V311 VanDerWaalsContact O-CG2 3.24Å; M307-V311 WeakPolarHBondContact O-CG2 3.25Å; M307-V311 PolarHBondContact O-N 3.18Å; S309-V311 VanDerWaalsContact C-N 3.34Å; S309-V311 PolarHBondContact O-N 3.03Å; V311-G313 PolarHBondContact O-N 3.38Å; V311-M314 HydrophobicContact CG1-CE 4.17Å; V311-M314 PolarHBondContact O-N 3.02Å; V311-L315 HydrophobicContact CG1-CD1 4.02Å; V311-L315 HydrophobicContact CG1-CG 4.14Å; V311-L315 WeakPolarHBondContact O-CB 3.1Å; V311-L315 WeakPolarHBondContact O-CG 3.39Å; V311-L315 PolarHBondContact O-N 2.93Å; V311-M356 HydrophobicContact CB-SD 4.03Å; V311-M356 HydrophobicContact CG1-CE 4.18Å; V311-M356 HydrophobicContact CG1-SD 3.54Å; V311-M356 VanDerWaalsContact CG1-SD 3.54Å; V311-A390 HydrophobicContact CG1-CB 3.58Å; V311-A390 HydrophobicContact CG2-CB 4.47Å; V311-L422 HydrophobicContact CG2-CD1 3.75Å
312	A	97.9	Very high	94.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.1	-44.4	177.7	0	0	0	0	0	112.1	G308 S309 A310 L315 K316 M356 E357	G308-A312 VanDerWaalsContact O-CB 3.24Å; G308-A312 WeakPolarHBondContact O-CB 3.45Å; G308-A312 PolarHBondContact O-N 3.43Å; S309-A312 PolarHBondContact O-N 3.21Å; A310-A312 PolarHBondContact O-N 2.95Å; A312-L315 PolarHBondContact O-N 3.13Å; A312-K316 VanDerWaalsContact O-CG 3.25Å; A312-K316 WeakPolarHBondContact O-CG 3.32Å; A312-K316 PolarHBondContact O-N 3.39Å; A312-M356 HydrophobicContact CB-CG 3.98Å; A312-M356 HydrophobicContact CB-SD 4.15Å; A312-E357 HydrophobicContact CB-CB 4.06Å
313	G	97	Very high	95.3	Very high	9 Å²	9	25.4 Å²	25.4	9%	0.093	13%	0.128	C	C	.	.	H	α-helix	trans	-57.7	-50.8	175.3	0	0	0	0	0	112.4	E130 S309 A310 V311 L315 K316 R317	E130-G313 WeakPolarHBondContact O-CA 3.43Å; S309-G313 PolarHBondContact O-N 2.91Å; A310-G313 PolarHBondContact O-N 2.92Å; V311-G313 PolarHBondContact O-N 3.38Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 3.37Å; G313-K316 PolarHBondContact O-N 3.44Å; G313-R317 PolarHBondContact O-N 2.59Å
314	M	97.3	Very high	96.3	Very high	25 Å²	25	31.6 Å²	31.6	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-42.6	177.2	175.5	-91.7	-65.9	0	0	112.2	S133 A310 V311 R317 L318 A390 V394 I415 T419	S133-M314 PolarHBondContact OG-N 2.84Å; A310-M314 PolarHBondContact O-N 3.24Å; A310-M314 VanDerWaalsContact O-N 3.13Å; V311-M314 HydrophobicContact CG1-CE 4.17Å; V311-M314 PolarHBondContact O-N 3.02Å; M314-R317 PolarHBondContact O-N 3.29Å; M314-L318 WeakPolarHBondContact O-CB 3.27Å; M314-L318 PolarHBondContact O-N 3.06Å; M314-A390 HydrophobicContact CE-CB 4.27Å; M314-V394 HydrophobicContact SD-CG2 4.29Å; M314-I415 HydrophobicContact CG-CG2 4.4Å; M314-I415 HydrophobicContact SD-CG2 3.7Å; M314-T419 HydrophobicContact CE-CG2 3.43Å; M314-T419 VanDerWaalsContact CE-CG2 3.43Å; M314-T419 HydrophobicContact SD-CG2 4.39Å
315	L	98.1	Very high	96.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-35.9	178.2	-71.6	-174.7	0	0	0	113.3	V311 A312 G313 R317 L318 I319 A353 M356 C393 V394	V311-L315 HydrophobicContact CG1-CD1 4.02Å; V311-L315 HydrophobicContact CG1-CG 4.14Å; V311-L315 WeakPolarHBondContact O-CB 3.1Å; V311-L315 WeakPolarHBondContact O-CG 3.39Å; V311-L315 PolarHBondContact O-N 2.93Å; A312-L315 PolarHBondContact O-N 3.13Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 3.37Å; L315-R317 VanDerWaalsContact C-N 3.31Å; L315-R317 PolarHBondContact O-N 2.96Å; L315-L318 HydrophobicContact CD2-CD2 3.75Å; L315-L318 PolarHBondContact O-N 3.42Å; L315-I319 WeakPolarHBondContact O-CB 3.46Å; L315-I319 WeakPolarHBondContact O-CD1 3.4Å; L315-I319 WeakPolarHBondContact O-CG1 3.46Å; L315-I319 PolarHBondContact O-N 2.92Å; L315-A353 HydrophobicContact CB-CB 4.36Å; L315-M356 HydrophobicContact CD1-CE 3.31Å; L315-M356 HydrophobicContact CD1-SD 3.97Å; L315-C393 HydrophobicContact CD1-CB 4.1Å; L315-C393 HydrophobicContact CD2-CB 3.53Å; L315-C393 HydrophobicContact CG-CB 4.46Å; L315-V394 HydrophobicContact CD2-CG2 4.37Å
316	K	97.5	Very high	97	Very high	73 Å²	73	32.9 Å²	32.9	32%	0.317	16%	0.161	S	C	.	.	H	α-helix	trans	-58.1	-45.7	174.4	-73	162.6	-179.7	173.5	0	110.6	E130 A312 G313 I319 E320 E357	E130-K316 VanDerWaalsContact CD-NZ 3.34Å; E130-K316 IonicContact OE1-NZ 3.67Å; E130-K316 PolarHBondContact OE1-NZ 3.45Å; E130-K316 IonicContact OE2-NZ 2.71Å; E130-K316 PolarHBondContact OE2-NZ 2.73Å; A312-K316 VanDerWaalsContact O-CG 3.25Å; A312-K316 WeakPolarHBondContact O-CG 3.32Å; A312-K316 PolarHBondContact O-N 3.39Å; G313-K316 PolarHBondContact O-N 3.44Å; K316-I319 PolarHBondContact O-N 3.34Å; K316-E320 PolarHBondContact O-N 3.34Å; K316-E320 VanDerWaalsContact O-N 3.09Å; K316-E357 WeakPolarHBondContact CE-OE1 3.19Å; K316-E357 IonicContact NZ-OE1 2.96Å; K316-E357 PolarHBondContact NZ-OE1 3.44Å; K316-E357 IonicContact NZ-OE2 2.6Å
317	R	96.3	Very high	97.4	Very high	119 Å²	119	34.7 Å²	34.7	45%	0.449	17%	0.173	S	C	.	.	H	α-helix	trans	-67.6	-40.9	176.6	-176.1	56.6	176.1	175.6	-0.1	112.4	G313 M314 L315 I319 E320 M321	G313-R317 PolarHBondContact O-N 2.59Å; M314-R317 PolarHBondContact O-N 3.29Å; L315-R317 VanDerWaalsContact C-N 3.31Å; L315-R317 PolarHBondContact O-N 2.96Å; R317-I319 VanDerWaalsContact C-N 3.34Å; R317-I319 PolarHBondContact O-N 2.87Å; R317-E320 WeakPolarHBondContact CD-OE2 3.21Å; R317-E320 IonicContact CZ-OE2 2.75Å; R317-E320 IonicContact NE-OE2 2.7Å; R317-E320 IonicContact NH1-OE1 2.73Å; R317-E320 PolarHBondContact NH1-OE1 3.25Å; R317-E320 IonicContact NH1-OE2 3.18Å; R317-E320 PolarHBondContact NH1-OE2 3.43Å; R317-E320 WeakPolarHBondContact O-CB 3.49Å; R317-E320 PolarHBondContact O-N 3.25Å; R317-M321 HydrophobicContact CG-SD 4.12Å; R317-M321 WeakPolarHBondContact O-CG 3.4Å; R317-M321 PolarHBondContact O-N 2.83Å
318	L	97.9	Very high	97.6	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-45.8	175.3	-177.9	73.6	0	0	0	111.4	M314 L315 T322 V394 A397 Y412 I415	M314-L318 WeakPolarHBondContact O-CB 3.27Å; M314-L318 PolarHBondContact O-N 3.06Å; L315-L318 HydrophobicContact CD2-CD2 3.75Å; L315-L318 PolarHBondContact O-N 3.42Å; L318-T322 VanDerWaalsContact O-CB 3.24Å; L318-T322 WeakPolarHBondContact O-CB 3.42Å; L318-T322 PolarHBondContact O-N 3.47Å; L318-T322 PolarHBondContact O-OG1 3.18Å; L318-V394 HydrophobicContact CD2-CB 4.38Å; L318-V394 HydrophobicContact CD2-CG2 3.78Å; L318-A397 HydrophobicContact CD1-CB 3.81Å; L318-A397 HydrophobicContact CD2-CB 3.82Å; L318-A397 HydrophobicContact CG-CB 3.84Å; L318-Y412 HydrophobicContact CD1-CD1 3.68Å; L318-Y412 HydrophobicContact CD1-CE1 3.56Å; L318-I415 HydrophobicContact CD1-CD1 4.27Å
319	I	98.6	Very high	97.6	Very high	34 Å²	34	43.3 Å²	43.3	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-47.3	177.8	-71.7	162.6	0	0	0	110.1	L315 K316 R317 T322 A323 F346 M349 A353	L315-I319 WeakPolarHBondContact O-CB 3.46Å; L315-I319 WeakPolarHBondContact O-CD1 3.4Å; L315-I319 WeakPolarHBondContact O-CG1 3.46Å; L315-I319 PolarHBondContact O-N 2.92Å; K316-I319 PolarHBondContact O-N 3.34Å; R317-I319 VanDerWaalsContact C-N 3.34Å; R317-I319 PolarHBondContact O-N 2.87Å; I319-T322 PolarHBondContact O-N 3.49Å; I319-A323 WeakPolarHBondContact O-CB 3.33Å; I319-A323 PolarHBondContact O-N 3.34Å; I319-F346 HydrophobicContact CG2-CD1 4.41Å; I319-M349 HydrophobicContact CD1-CB 3.91Å; I319-M349 HydrophobicContact CG1-CB 3.76Å; I319-M349 HydrophobicContact CG1-SD 4.39Å; I319-A353 HydrophobicContact CD1-CB 4.16Å
320	E	97.9	Very high	97.8	Very high	101 Å²	101	49.5 Å²	49.5	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-56.7	-55.5	179	-175.2	-169.7	175.6	0	0	111.8	K316 R317 T322 A323 E324	K316-E320 PolarHBondContact O-N 3.34Å; K316-E320 VanDerWaalsContact O-N 3.09Å; R317-E320 WeakPolarHBondContact CD-OE2 3.21Å; R317-E320 IonicContact CZ-OE2 2.75Å; R317-E320 IonicContact NE-OE2 2.7Å; R317-E320 IonicContact NH1-OE1 2.73Å; R317-E320 PolarHBondContact NH1-OE1 3.25Å; R317-E320 IonicContact NH1-OE2 3.18Å; R317-E320 PolarHBondContact NH1-OE2 3.43Å; R317-E320 WeakPolarHBondContact O-CB 3.49Å; R317-E320 PolarHBondContact O-N 3.25Å; E320-T322 VanDerWaalsContact C-N 3.29Å; E320-T322 PolarHBondContact O-N 3.39Å; E320-A323 PolarHBondContact O-N 3.07Å; E320-E324 PolarHBondContact O-N 2.66Å
321	M	97	Very high	97.9	Very high	56 Å²	56	53 Å²	53	28%	0.276	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-39.3	-179.4	-67.4	177.2	53.7	0	0	112.3	R317 E324 Y325 P411 Y412	R317-M321 HydrophobicContact CG-SD 4.12Å; R317-M321 WeakPolarHBondContact O-CG 3.4Å; R317-M321 PolarHBondContact O-N 2.83Å; M321-E324 PolarHBondContact O-N 3.22Å; M321-Y325 PolarHBondContact O-N 2.98Å; M321-P411 HydrophobicContact CE-CG 3.55Å; M321-Y412 HydrophobicContact CE-CE2 4.43Å
322	T	98.5	Very high	97.9	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.3	-38	179.3	-52.4	0	0	0	0	111.3	L318 I319 E320 E324 Y325 A326 F346 M349 A397 I400 L401 Y412	L318-T322 VanDerWaalsContact O-CB 3.24Å; L318-T322 WeakPolarHBondContact O-CB 3.42Å; L318-T322 PolarHBondContact O-N 3.47Å; L318-T322 PolarHBondContact O-OG1 3.18Å; I319-T322 PolarHBondContact O-N 3.49Å; E320-T322 VanDerWaalsContact C-N 3.29Å; E320-T322 PolarHBondContact O-N 3.39Å; T322-E324 VanDerWaalsContact C-N 3.35Å; T322-Y325 PolarHBondContact O-N 3.43Å; T322-A326 WeakPolarHBondContact O-CB 2.88Å; T322-A326 PolarHBondContact O-N 3.49Å; T322-F346 HydrophobicContact CG2-CE1 4.1Å; T322-F346 HydrophobicContact CG2-CZ 3.87Å; T322-M349 HydrophobicContact CG2-CE 4.49Å; T322-A397 HydrophobicContact CG2-CB 4.23Å; T322-I400 HydrophobicContact CG2-CB 3.88Å; T322-I400 HydrophobicContact CG2-CD1 3.66Å; T322-I400 HydrophobicContact CG2-CG1 4.39Å; T322-I400 HydrophobicContact CG2-CG2 3.75Å; T322-L401 HydrophobicContact CG2-CD1 4.06Å; T322-Y412 WeakPolarHBondContact CA-OH 3.45Å; T322-Y412 PolarHBondContact N-OH 3.47Å; T322-Y412 WeakPolarHBondContact OG1-CE1 3.32Å; T322-Y412 PolarHBondContact OG1-OH 3Å
323	A	98.7	Very high	97.8	Very high	31 Å²	31	68.9 Å²	68.9	26%	0.256	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-41.1	176.2	0	0	0	0	0	111.2	I319 E320 Y325 A326 C327 F346	I319-A323 WeakPolarHBondContact O-CB 3.33Å; I319-A323 PolarHBondContact O-N 3.34Å; E320-A323 PolarHBondContact O-N 3.07Å; A323-Y325 PolarHBondContact O-N 2.92Å; A323-A326 PolarHBondContact O-N 3.23Å; A323-C327 VanDerWaalsContact O-CB 3.3Å; A323-C327 WeakPolarHBondContact O-CB 3.34Å; A323-C327 PolarHBondContact O-N 2.76Å; A323-C327 PolarHBondContact O-SG 3.27Å; A323-F346 VanDerWaalsContact CA-CZ 3.45Å; A323-F346 HydrophobicContact CB-CE1 3.74Å; A323-F346 HydrophobicContact CB-CZ 4.07Å
324	E	98.1	Very high	97.9	Very high	136 Å²	136	73.5 Å²	73.5	64%	0.636	35%	0.349	S	S	*	.	H	α-helix	trans	-60.8	-44.3	175.7	-176.4	152.2	-171.1	0	0	112.1	E320 M321 T322 C327 T328	E320-E324 PolarHBondContact O-N 2.66Å; M321-E324 PolarHBondContact O-N 3.22Å; T322-E324 VanDerWaalsContact C-N 3.35Å; E324-C327 PolarHBondContact O-N 2.76Å; E324-T328 WeakPolarHBondContact O-CG2 3.37Å; E324-T328 PolarHBondContact O-N 3.1Å; E324-T328 PolarHBondContact O-OG1 3.16Å
325	Y	98.2	Very high	98	Very high	44 Å²	44	78.3 Å²	78.3	17%	0.173	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-47	173.1	180	-101.7	0	0	0	112.1	M321 T322 A323 C327 T328 R329 L336 I400 L401 L404	M321-Y325 PolarHBondContact O-N 2.98Å; T322-Y325 PolarHBondContact O-N 3.43Å; A323-Y325 PolarHBondContact O-N 2.92Å; Y325-C327 VanDerWaalsContact C-N 3.28Å; Y325-C327 PolarHBondContact O-N 3.47Å; Y325-T328 PolarHBondContact O-N 2.94Å; Y325-T328 PolarHBondContact O-OG1 2.65Å; Y325-T328 VanDerWaalsContact O-OG1 3.11Å; Y325-R329 HydrophobicContact CD1-CB 4.34Å; Y325-R329 HydrophobicContact CD2-CB 4.41Å; Y325-R329 HydrophobicContact CE1-CB 3.98Å; Y325-R329 HydrophobicContact CE1-CG 4Å; Y325-R329 HydrophobicContact CE2-CB 4.05Å; Y325-R329 HydrophobicContact CE2-CG 4.28Å; Y325-R329 WeakPolarHBondContact O-CB 3.22Å; Y325-R329 PolarHBondContact O-N 3.48Å; Y325-L336 HydrophobicContact CD1-CD1 4.39Å; Y325-L336 HydrophobicContact CE1-CD1 3.89Å; Y325-I400 HydrophobicContact CD1-CG2 4.48Å; Y325-L401 HydrophobicContact CD1-CD1 4.3Å; Y325-L401 HydrophobicContact CD1-CG 3.96Å; Y325-L401 HydrophobicContact CE1-CB 4.42Å; Y325-L401 HydrophobicContact CE1-CG 4.17Å; Y325-L401 HydrophobicContact CG-CG 4.29Å; Y325-L401 PolarHBondContact OH-O 3.34Å; Y325-L404 HydrophobicContact CE2-CD1 3.62Å
326	A	98.5	Very high	98	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-33	-178.4	0	0	0	0	0	113.1	T322 A323 T328 L336 S337 I342 F346 I400	T322-A326 WeakPolarHBondContact O-CB 2.88Å; T322-A326 PolarHBondContact O-N 3.49Å; A323-A326 PolarHBondContact O-N 3.23Å; A326-T328 VanDerWaalsContact C-N 3.35Å; A326-L336 HydrophobicContact CB-CB 4.24Å; A326-L336 WeakPolarHBondContact O-CB 3.43Å; A326-L336 PolarHBondContact O-N 2.73Å; A326-L336 VanDerWaalsContact O-N 3.17Å; A326-S337 PolarHBondContact O-N 3.04Å; A326-I342 HydrophobicContact CB-CG2 4.31Å; A326-F346 HydrophobicContact CB-CE2 3.58Å; A326-F346 HydrophobicContact CB-CZ 3.71Å; A326-I400 HydrophobicContact CB-CG2 4.19Å
327	C	98.5	Very high	98	Very high	54 Å²	54	77.2 Å²	77.2	37%	0.365	37%	0.366	S	S	.	.	H	α-helix	trans	-76.8	-18.9	178.1	-75.1	0	0	0	0	113.6	A323 E324 Y325 R335	A323-C327 VanDerWaalsContact O-CB 3.3Å; A323-C327 WeakPolarHBondContact O-CB 3.34Å; A323-C327 PolarHBondContact O-N 2.76Å; A323-C327 PolarHBondContact O-SG 3.27Å; E324-C327 PolarHBondContact O-N 2.76Å; Y325-C327 VanDerWaalsContact C-N 3.28Å; Y325-C327 PolarHBondContact O-N 3.47Å; C327-R335 WeakPolarHBondContact O-CD 3.24Å; C327-R335 WeakPolarHBondContact O-CG 3.34Å; C327-R335 PolarHBondContact O-NE 3.38Å
328	T	97.7	Very high	98.1	Very high	91 Å²	91	76.3 Å²	76.3	56%	0.558	37%	0.367	S	S	*	.	H	α-helix	trans	-106.2	-36.5	-177.3	53.9	0	0	0	0	112.6	E324 Y325 A326 K330	E324-T328 WeakPolarHBondContact O-CG2 3.37Å; E324-T328 PolarHBondContact O-N 3.1Å; E324-T328 PolarHBondContact O-OG1 3.16Å; Y325-T328 PolarHBondContact O-N 2.94Å; Y325-T328 PolarHBondContact O-OG1 2.65Å; Y325-T328 VanDerWaalsContact O-OG1 3.11Å; A326-T328 VanDerWaalsContact C-N 3.35Å; T328-K330 PolarHBondContact O-N 3.07Å
329	R	98.1	Very high	98.2	Very high	111 Å²	111	78.9 Å²	78.9	42%	0.419	38%	0.378	S	S	.	.			trans	-69.1	129.2	-179.2	179	62.5	-178.8	179.2	0.3	111.4	Y325 R335 L336	Y325-R329 HydrophobicContact CD1-CB 4.34Å; Y325-R329 HydrophobicContact CD2-CB 4.41Å; Y325-R329 HydrophobicContact CE1-CB 3.98Å; Y325-R329 HydrophobicContact CE1-CG 4Å; Y325-R329 HydrophobicContact CE2-CB 4.05Å; Y325-R329 HydrophobicContact CE2-CG 4.28Å; Y325-R329 WeakPolarHBondContact O-CB 3.22Å; Y325-R329 PolarHBondContact O-N 3.48Å; R329-R335 CarbonylContact O-C 3.6Å; R329-R335 VanDerWaalsContact O-CA 3.31Å; R329-R335 WeakPolarHBondContact O-CA 3.41Å; R329-L336 HydrophobicContact CB-CD1 3.86Å; R329-L336 HydrophobicContact CB-CG 3.98Å; R329-L336 HydrophobicContact CG-CD1 3.58Å; R329-L336 HydrophobicContact CG-CD2 4.46Å; R329-L336 HydrophobicContact CG-CG 3.79Å; R329-L336 PolarHBondContact O-N 3.37Å
330	K	98.3	Very high	98.2	Very high	130 Å²	130	79.5 Å²	79.5	57%	0.565	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.6	175.1	-66.3	-176.8	179.1	-179	0	113	T328 K334 R335	T328-K330 PolarHBondContact O-N 3.07Å; K330-K334 CarbonylContact C-O 3.59Å; K330-K334 WeakPolarHBondContact CA-O 3.35Å; K330-R335 HydrophobicContact CG-CG 4.37Å
331	Q	98.1	Very high	98.2	Very high	89 Å²	89	80.7 Å²	80.7	42%	0.416	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.5	164.5	-79.1	-62.7	-94.8	0	0	109.5	N333 K334 L336 F339	Q331-N333 PolarHBondContact O-N 3.28Å; Q331-N333 VanDerWaalsContact O-N 3.09Å; Q331-K334 PolarHBondContact N-O 3.22Å; Q331-K334 PolarHBondContact O-N 3.16Å; Q331-L336 HydrophobicContact CB-CD2 4.16Å; Q331-L336 HydrophobicContact CG-CD2 4.37Å; Q331-F339 WeakPolarHBondContact O-CZ 3.36Å
332	F	97.8	Very high	98.3	Very high	174 Å²	174	79.1 Å²	79.1	76%	0.763	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	40.6	-176.7	-51.4	-78.6	0	0	0	112.7	K334 F339	F332-K334 PolarHBondContact O-N 3.13Å; F332-K334 VanDerWaalsContact O-N 3.13Å; F332-F339 HydrophobicContact CB-CZ 4.24Å; F332-F339 HydrophobicContact CD2-CZ 4.39Å
333	N	96.8	Very high	98.3	Very high	165 Å²	165	84 Å²	84	88%	0.882	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	12.2	-178.1	-59.6	-37.3	0	0	0	116.9	Q331	Q331-N333 PolarHBondContact O-N 3.28Å; Q331-N333 VanDerWaalsContact O-N 3.09Å
334	K	98.1	Very high	98.3	Very high	106 Å²	106	88.6 Å²	88.6	46%	0.461	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.7	174.4	-62.1	-172.5	178.8	-174.8	0	111.2	K330 Q331 F332 E338 F339	K330-K334 CarbonylContact C-O 3.59Å; K330-K334 WeakPolarHBondContact CA-O 3.35Å; Q331-K334 PolarHBondContact N-O 3.22Å; Q331-K334 PolarHBondContact O-N 3.16Å; F332-K334 PolarHBondContact O-N 3.13Å; F332-K334 VanDerWaalsContact O-N 3.13Å; K334-E338 HydrophobicContact CB-CB 4.3Å; K334-E338 HydrophobicContact CD-CB 4.45Å; K334-F339 HydrophobicContact CB-CE1 4.31Å; K334-F339 HydrophobicContact CB-CE2 4.28Å; K334-F339 HydrophobicContact CB-CZ 3.78Å; K334-F339 HydrophobicContact CD-CE1 4.28Å
335	R	98.6	Very high	98.3	Very high	126 Å²	126	84.2 Å²	84.2	48%	0.475	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	149.8	169	-65.4	167.1	176.1	-160.9	3.3	109.4	C327 R329 K330 S337 E338	C327-R335 WeakPolarHBondContact O-CD 3.24Å; C327-R335 WeakPolarHBondContact O-CG 3.34Å; C327-R335 PolarHBondContact O-NE 3.38Å; R329-R335 CarbonylContact O-C 3.6Å; R329-R335 VanDerWaalsContact O-CA 3.31Å; R329-R335 WeakPolarHBondContact O-CA 3.41Å; K330-R335 HydrophobicContact CG-CG 4.37Å; R335-S337 PolarHBondContact O-N 3.39Å; R335-E338 HydrophobicContact CB-CG 4.25Å; R335-E338 WeakPolarHBondContact CB-OE1 3.28Å; R335-E338 PolarHBondContact N-OE1 2.98Å; R335-E338 WeakPolarHBondContact O-CB 3.49Å; R335-E338 PolarHBondContact O-N 2.96Å
336	L	98.7	Very high	98.4	Very high	19 Å²	19	83.9 Å²	83.9	10%	0.099	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-58.3	-36.2	177.7	-65.3	-174.2	0	0	0	112	Y325 A326 R329 Q331 E338 F339 I342	Y325-L336 HydrophobicContact CD1-CD1 4.39Å; Y325-L336 HydrophobicContact CE1-CD1 3.89Å; A326-L336 HydrophobicContact CB-CB 4.24Å; A326-L336 WeakPolarHBondContact O-CB 3.43Å; A326-L336 PolarHBondContact O-N 2.73Å; A326-L336 VanDerWaalsContact O-N 3.17Å; R329-L336 HydrophobicContact CB-CD1 3.86Å; R329-L336 HydrophobicContact CB-CG 3.98Å; R329-L336 HydrophobicContact CG-CD1 3.58Å; R329-L336 HydrophobicContact CG-CD2 4.46Å; R329-L336 HydrophobicContact CG-CG 3.79Å; R329-L336 PolarHBondContact O-N 3.37Å; Q331-L336 HydrophobicContact CB-CD2 4.16Å; Q331-L336 HydrophobicContact CG-CD2 4.37Å; L336-E338 PolarHBondContact O-N 3.36Å; L336-F339 HydrophobicContact CD2-CD2 4.26Å; L336-F339 HydrophobicContact CD2-CE2 4.16Å; L336-F339 WeakPolarHBondContact O-CD2 3.47Å; L336-F339 PolarHBondContact O-N 2.77Å; L336-F339 VanDerWaalsContact O-N 3.08Å; L336-I342 HydrophobicContact CB-CG1 4.34Å; L336-I342 HydrophobicContact CB-CG2 4.45Å; L336-I342 VanDerWaalsContact O-CB 3.3Å; L336-I342 WeakPolarHBondContact O-CB 3.11Å; L336-I342 WeakPolarHBondContact O-CG1 3.37Å; L336-I342 WeakPolarHBondContact O-CG2 3.32Å
337	S	98.4	Very high	98.4	Very high	33 Å²	33	86.5 Å²	86.5	23%	0.231	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-57.7	-16.3	176.9	61.8	0	0	0	0	114.9	A326 R335 Q343	A326-S337 PolarHBondContact O-N 3.04Å; R335-S337 PolarHBondContact O-N 3.39Å; S337-Q343 PolarHBondContact O-NE2 3.1Å
338	E	98.6	Very high	98.4	Very high	99 Å²	99	85.7 Å²	85.7	46%	0.463	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-87.9	-9.7	179.6	-62.2	175.6	-112.3	0	0	113.3	K334 R335 L336	K334-E338 HydrophobicContact CB-CB 4.3Å; K334-E338 HydrophobicContact CD-CB 4.45Å; R335-E338 HydrophobicContact CB-CG 4.25Å; R335-E338 WeakPolarHBondContact CB-OE1 3.28Å; R335-E338 PolarHBondContact N-OE1 2.98Å; R335-E338 WeakPolarHBondContact O-CB 3.49Å; R335-E338 PolarHBondContact O-N 2.96Å; L336-E338 PolarHBondContact O-N 3.36Å
339	F	98.8	Very high	98.4	Very high	57 Å²	57	81.3 Å²	81.3	25%	0.25	40%	0.398	C	S	.	.	S	Bend	trans	-91.7	132.6	-180	-59.2	-66.7	0	0	0	111.7	Q331 F332 K334 L336 L341 I342 Q343	Q331-F339 WeakPolarHBondContact O-CZ 3.36Å; F332-F339 HydrophobicContact CB-CZ 4.24Å; F332-F339 HydrophobicContact CD2-CZ 4.39Å; K334-F339 HydrophobicContact CB-CE1 4.31Å; K334-F339 HydrophobicContact CB-CE2 4.28Å; K334-F339 HydrophobicContact CB-CZ 3.78Å; K334-F339 HydrophobicContact CD-CE1 4.28Å; L336-F339 HydrophobicContact CD2-CD2 4.26Å; L336-F339 HydrophobicContact CD2-CE2 4.16Å; L336-F339 WeakPolarHBondContact O-CD2 3.47Å; L336-F339 PolarHBondContact O-N 2.77Å; L336-F339 VanDerWaalsContact O-N 3.08Å; F339-L341 VanDerWaalsContact C-N 3.3Å; F339-L341 PolarHBondContact O-N 2.74Å; F339-I342 HydrophobicContact CB-CG1 4.17Å; F339-I342 WeakPolarHBondContact O-CB 3.41Å; F339-I342 PolarHBondContact O-N 2.69Å; F339-Q343 WeakPolarHBondContact O-CG 3.23Å; F339-Q343 PolarHBondContact O-N 3.01Å
340	G	98.6	Very high	98.5	Very high	47 Å²	47	77.3 Å²	77.3	49%	0.485	39%	0.389	S	S	.	.	H	α-helix	trans	-56	-39.1	-179.2	0	0	0	0	0	114.2	I342 Q343 E344	G340-I342 PolarHBondContact O-N 2.82Å; G340-Q343 PolarHBondContact O-N 2.76Å; G340-E344 PolarHBondContact O-N 3.43Å
341	L	98.6	Very high	98.5	Very high	127 Å²	127	71.2 Å²	71.2	67%	0.665	36%	0.362	S	S	*	.	H	α-helix	trans	-66	-23.4	177.2	-64.3	179.1	0	0	0	113.7	F339 K345	F339-L341 VanDerWaalsContact C-N 3.3Å; F339-L341 PolarHBondContact O-N 2.74Å; L341-K345 WeakPolarHBondContact O-CG 3.22Å
342	I	98.8	Very high	98.5	Very high	22 Å²	22	68.4 Å²	68.4	11%	0.113	35%	0.349	C	S	.	.	H	α-helix	trans	-83.6	-41	173.8	-60.9	-62.7	0	0	0	109.6	A326 L336 F339 G340 E344 K345 F346 I400	A326-I342 HydrophobicContact CB-CG2 4.31Å; L336-I342 HydrophobicContact CB-CG1 4.34Å; L336-I342 HydrophobicContact CB-CG2 4.45Å; L336-I342 VanDerWaalsContact O-CB 3.3Å; L336-I342 WeakPolarHBondContact O-CB 3.11Å; L336-I342 WeakPolarHBondContact O-CG1 3.37Å; L336-I342 WeakPolarHBondContact O-CG2 3.32Å; F339-I342 HydrophobicContact CB-CG1 4.17Å; F339-I342 WeakPolarHBondContact O-CB 3.41Å; F339-I342 PolarHBondContact O-N 2.69Å; G340-I342 PolarHBondContact O-N 2.82Å; I342-E344 VanDerWaalsContact C-N 3.32Å; I342-E344 PolarHBondContact O-N 2.92Å; I342-K345 PolarHBondContact O-N 3.25Å; I342-F346 HydrophobicContact CG2-CD2 3.93Å; I342-F346 HydrophobicContact CG2-CE2 3.65Å; I342-F346 VanDerWaalsContact O-CD2 3.31Å; I342-F346 WeakPolarHBondContact O-CD2 3.24Å; I342-F346 PolarHBondContact O-N 3.36Å; I342-I400 HydrophobicContact CD1-CG1 4.24Å
343	Q	98.8	Very high	98.6	Very high	102 Å²	102	60.4 Å²	60.4	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-41	176.2	-66.6	167.5	-5.7	0	0	112	S337 F339 G340 K345 F346 A347	S337-Q343 PolarHBondContact O-NE2 3.1Å; F339-Q343 WeakPolarHBondContact O-CG 3.23Å; F339-Q343 PolarHBondContact O-N 3.01Å; G340-Q343 PolarHBondContact O-N 2.76Å; Q343-K345 VanDerWaalsContact C-N 3.31Å; Q343-K345 PolarHBondContact O-N 3.15Å; Q343-F346 PolarHBondContact O-N 2.82Å; Q343-A347 WeakPolarHBondContact O-CB 3.37Å; Q343-A347 PolarHBondContact O-N 3.42Å
344	E	98.7	Very high	98.7	Very high	129 Å²	129	53.2 Å²	53.2	60%	0.603	28%	0.275	S	S	*	.	H	α-helix	trans	-56.4	-43.8	174.7	-177.4	-179.7	-164.8	0	0	112	G340 I342 A347 L348	G340-E344 PolarHBondContact O-N 3.43Å; I342-E344 VanDerWaalsContact C-N 3.32Å; I342-E344 PolarHBondContact O-N 2.92Å; E344-A347 PolarHBondContact O-N 3.28Å; E344-L348 WeakPolarHBondContact O-CB 3.14Å; E344-L348 PolarHBondContact O-N 3.22Å
345	K	98.8	Very high	98.7	Very high	44 Å²	44	48.1 Å²	48.1	19%	0.191	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-41.6	178.1	-64.5	175.7	-170.7	-55.9	0	111.9	L341 I342 Q343 L348 M349 E396 I400	L341-K345 WeakPolarHBondContact O-CG 3.22Å; I342-K345 PolarHBondContact O-N 3.25Å; Q343-K345 VanDerWaalsContact C-N 3.31Å; Q343-K345 PolarHBondContact O-N 3.15Å; K345-L348 PolarHBondContact O-N 3.33Å; K345-M349 VanDerWaalsContact O-CG 3.29Å; K345-M349 WeakPolarHBondContact O-CG 3.23Å; K345-M349 PolarHBondContact O-N 3.38Å; K345-E396 HydrophobicContact CB-CB 4.45Å; K345-E396 VanDerWaalsContact CD-OE2 3.22Å; K345-E396 WeakPolarHBondContact CD-OE2 3.45Å; K345-E396 WeakPolarHBondContact CE-OE2 3.45Å; K345-E396 WeakPolarHBondContact CG-OE2 3.29Å; K345-E396 IonicContact NZ-OE1 3.79Å; K345-E396 IonicContact NZ-OE2 3.71Å; K345-E396 PolarHBondContact NZ-OE2 2.92Å; K345-I400 HydrophobicContact CB-CD1 3.83Å; K345-I400 HydrophobicContact CB-CG1 4.29Å; K345-I400 HydrophobicContact CD-CD1 4.17Å; K345-I400 HydrophobicContact CD-CG1 3.69Å
346	F	98.8	Very high	98.7	Very high	36 Å²	36	42.2 Å²	42.2	16%	0.158	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-40.5	174.3	-78.5	-69.9	0	0	0	112.5	I319 T322 A323 A326 I342 Q343 M349 A350 I400	I319-F346 HydrophobicContact CG2-CD1 4.41Å; T322-F346 HydrophobicContact CG2-CE1 4.1Å; T322-F346 HydrophobicContact CG2-CZ 3.87Å; A323-F346 VanDerWaalsContact CA-CZ 3.45Å; A323-F346 HydrophobicContact CB-CE1 3.74Å; A323-F346 HydrophobicContact CB-CZ 4.07Å; A326-F346 HydrophobicContact CB-CE2 3.58Å; A326-F346 HydrophobicContact CB-CZ 3.71Å; I342-F346 HydrophobicContact CG2-CD2 3.93Å; I342-F346 HydrophobicContact CG2-CE2 3.65Å; I342-F346 VanDerWaalsContact O-CD2 3.31Å; I342-F346 WeakPolarHBondContact O-CD2 3.24Å; I342-F346 PolarHBondContact O-N 3.36Å; Q343-F346 PolarHBondContact O-N 2.82Å; F346-M349 HydrophobicContact CD1-CE 3.55Å; F346-M349 HydrophobicContact CE1-CE 3.77Å; F346-M349 HydrophobicContact CG-CE 4.13Å; F346-M349 PolarHBondContact O-N 2.91Å; F346-A350 VanDerWaalsContact O-CB 3.28Å; F346-A350 WeakPolarHBondContact O-CB 3.4Å; F346-A350 PolarHBondContact O-N 3.32Å; F346-I400 HydrophobicContact CD2-CD1 4.47Å; F346-I400 HydrophobicContact CE2-CD1 4.05Å; F346-I400 HydrophobicContact CZ-CD1 4.07Å
347	A	98.6	Very high	98.7	Very high	55 Å²	55	42.6 Å²	42.6	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-45.7	175.9	0	0	0	0	0	111.2	Q343 E344 Q351	Q343-A347 WeakPolarHBondContact O-CB 3.37Å; Q343-A347 PolarHBondContact O-N 3.42Å; E344-A347 PolarHBondContact O-N 3.28Å; A347-Q351 WeakPolarHBondContact O-CB 3.35Å; A347-Q351 PolarHBondContact O-N 2.85Å
348	L	98.7	Very high	98.7	Very high	37 Å²	37	41 Å²	41	19%	0.194	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-52.7	174.1	174.3	70.1	0	0	0	111.6	E344 K345 A350 Q351 K352 Q392 E396	E344-L348 WeakPolarHBondContact O-CB 3.14Å; E344-L348 PolarHBondContact O-N 3.22Å; K345-L348 PolarHBondContact O-N 3.33Å; L348-A350 PolarHBondContact O-N 2.99Å; L348-Q351 PolarHBondContact O-N 2.86Å; L348-K352 HydrophobicContact CD1-CG 4.12Å; L348-K352 WeakPolarHBondContact O-CB 3.44Å; L348-K352 VanDerWaalsContact O-CG 3.3Å; L348-K352 WeakPolarHBondContact O-CG 3.38Å; L348-K352 PolarHBondContact O-N 3.04Å; L348-Q392 HydrophobicContact CD2-CG 4.13Å; L348-E396 HydrophobicContact CD2-CG 4.06Å
349	M	98.8	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-45.1	-178.5	-69.6	-173.5	-67.8	0	0	111.9	I319 T322 K345 F346 K352 A353 C393 E396 A397 I400	I319-M349 HydrophobicContact CD1-CB 3.91Å; I319-M349 HydrophobicContact CG1-CB 3.76Å; I319-M349 HydrophobicContact CG1-SD 4.39Å; T322-M349 HydrophobicContact CG2-CE 4.49Å; K345-M349 VanDerWaalsContact O-CG 3.29Å; K345-M349 WeakPolarHBondContact O-CG 3.23Å; K345-M349 PolarHBondContact O-N 3.38Å; F346-M349 HydrophobicContact CD1-CE 3.55Å; F346-M349 HydrophobicContact CE1-CE 3.77Å; F346-M349 HydrophobicContact CG-CE 4.13Å; F346-M349 PolarHBondContact O-N 2.91Å; M349-K352 PolarHBondContact O-N 3.48Å; M349-A353 WeakPolarHBondContact O-CB 3.46Å; M349-A353 PolarHBondContact O-N 3.37Å; M349-C393 HydrophobicContact CB-CB 4.47Å; M349-C393 HydrophobicContact CG-CB 3.81Å; M349-C393 HydrophobicContact SD-CB 4.43Å; M349-E396 HydrophobicContact SD-CB 4.49Å; M349-A397 HydrophobicContact SD-CB 4.3Å; M349-I400 HydrophobicContact CE-CD1 3.68Å
350	A	98.7	Very high	98.6	Very high	26 Å²	26	33.6 Å²	33.6	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-44.8	178.2	0	0	0	0	0	112.1	F346 L348 A353 Y354 L567	F346-A350 VanDerWaalsContact O-CB 3.28Å; F346-A350 WeakPolarHBondContact O-CB 3.4Å; F346-A350 PolarHBondContact O-N 3.32Å; L348-A350 PolarHBondContact O-N 2.99Å; A350-A353 PolarHBondContact O-N 3.5Å; A350-Y354 WeakPolarHBondContact O-CB 3.38Å; A350-Y354 PolarHBondContact O-N 2.95Å; A350-L567 HydrophobicContact CB-CD2 4.3Å
351	Q	98.7	Very high	98.6	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-47	177.5	-170.9	-154	88.2	0	0	111.1	A347 L348 Y354 V355 L567 F571 E574	A347-Q351 WeakPolarHBondContact O-CB 3.35Å; A347-Q351 PolarHBondContact O-N 2.85Å; L348-Q351 PolarHBondContact O-N 2.86Å; Q351-Y354 PolarHBondContact O-N 2.95Å; Q351-V355 HydrophobicContact CG-CG2 4.41Å; Q351-V355 WeakPolarHBondContact O-CG2 3.39Å; Q351-V355 PolarHBondContact O-N 3.45Å; Q351-L567 HydrophobicContact CB-CD2 4.27Å; Q351-F571 HydrophobicContact CG-CB 3.82Å; Q351-F571 HydrophobicContact CG-CD2 4.4Å; Q351-E574 PolarHBondContact NE2-OE1 3.1Å; Q351-E574 PolarHBondContact NE2-OE2 2.73Å; Q351-E574 VanDerWaalsContact NE2-OE2 3.12Å; Q351-E574 PolarHBondContact OE1-OE2 2.9Å
352	K	98.6	Very high	98.6	Very high	30 Å²	30	27 Å²	27	13%	0.13	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-45.1	178.5	-70.9	-58.1	-175.9	-168.1	0	112.3	L348 M349 Y354 V355 M356 F385 A389	L348-K352 HydrophobicContact CD1-CG 4.12Å; L348-K352 WeakPolarHBondContact O-CB 3.44Å; L348-K352 VanDerWaalsContact O-CG 3.3Å; L348-K352 WeakPolarHBondContact O-CG 3.38Å; L348-K352 PolarHBondContact O-N 3.04Å; M349-K352 PolarHBondContact O-N 3.48Å; K352-Y354 VanDerWaalsContact C-N 3.35Å; K352-V355 PolarHBondContact O-N 2.84Å; K352-M356 HydrophobicContact CB-CE 4.27Å; K352-M356 VanDerWaalsContact O-CE 3.25Å; K352-M356 WeakPolarHBondContact O-CE 3.42Å; K352-M356 WeakPolarHBondContact O-CG 3.24Å; K352-M356 PolarHBondContact O-N 3.1Å; K352-F385 HydrophobicContact CD-CE1 4.31Å; K352-F385 HydrophobicContact CD-CZ 3.77Å; K352-A389 HydrophobicContact CB-CB 3.99Å; K352-A389 HydrophobicContact CD-CB 4.12Å; K352-A389 HydrophobicContact CG-CB 4.21Å
353	A	98.6	Very high	98.5	Very high	6 Å²	6	25.9 Å²	25.9	5%	0.05	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-45	176	0	0	0	0	0	111.4	L315 I319 M349 A350 M356 E357	L315-A353 HydrophobicContact CB-CB 4.36Å; I319-A353 HydrophobicContact CD1-CB 4.16Å; M349-A353 WeakPolarHBondContact O-CB 3.46Å; M349-A353 PolarHBondContact O-N 3.37Å; A350-A353 PolarHBondContact O-N 3.5Å; A353-M356 WeakPolarHBondContact O-CG 3.22Å; A353-E357 VanDerWaalsContact O-CB 3.25Å; A353-E357 WeakPolarHBondContact O-CB 3.31Å; A353-E357 PolarHBondContact O-N 3.23Å
354	Y	98.8	Very high	98.3	Very high	14 Å²	14	21 Å²	21	6%	0.055	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-45.5	177.8	-175.9	-105.9	0	0	0	112.7	A350 Q351 K352 S358 V546 R549 E564 L567 A568	A350-Y354 WeakPolarHBondContact O-CB 3.38Å; A350-Y354 PolarHBondContact O-N 2.95Å; Q351-Y354 PolarHBondContact O-N 2.95Å; K352-Y354 VanDerWaalsContact C-N 3.35Å; Y354-S358 VanDerWaalsContact O-CB 3.32Å; Y354-S358 WeakPolarHBondContact O-CB 3.34Å; Y354-S358 PolarHBondContact O-N 3.01Å; Y354-S358 PolarHBondContact O-OG 2.94Å; Y354-V546 HydrophobicContact CD1-CB 4.43Å; Y354-V546 HydrophobicContact CD1-CG1 3.85Å; Y354-V546 HydrophobicContact CE1-CB 3.94Å; Y354-V546 HydrophobicContact CE1-CG1 3.81Å; Y354-R549 WeakPolarHBondContact OH-CD 3.23Å; Y354-E564 HydrophobicContact CE2-CB 4.11Å; Y354-E564 HydrophobicContact CE2-CG 3.65Å; Y354-E564 VanDerWaalsContact CE2-OE2 3.27Å; Y354-E564 WeakPolarHBondContact CE2-OE2 3.45Å; Y354-E564 WeakPolarHBondContact OH-CB 2.92Å; Y354-E564 PolarHBondContact OH-OE2 3.24Å; Y354-L567 HydrophobicContact CD1-CB 3.91Å; Y354-L567 HydrophobicContact CD1-CD1 4.38Å; Y354-L567 HydrophobicContact CD2-CD1 4.19Å; Y354-L567 HydrophobicContact CE1-CB 4.37Å; Y354-L567 HydrophobicContact CG-CB 4.26Å; Y354-L567 HydrophobicContact CG-CD1 3.89Å; Y354-A568 HydrophobicContact CE1-CB 4.41Å
355	V	98.8	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.5	-48.6	-179.1	175.9	0	0	0	0	110.8	Q351 K352 E357 S358 M359 F385 V546 F571	Q351-V355 HydrophobicContact CG-CG2 4.41Å; Q351-V355 WeakPolarHBondContact O-CG2 3.39Å; Q351-V355 PolarHBondContact O-N 3.45Å; K352-V355 PolarHBondContact O-N 2.84Å; V355-E357 PolarHBondContact O-N 2.94Å; V355-S358 WeakPolarHBondContact O-CB 3.17Å; V355-S358 PolarHBondContact O-N 3.2Å; V355-M359 HydrophobicContact CG1-CG 4.32Å; V355-M359 HydrophobicContact CG1-SD 3.79Å; V355-M359 VanDerWaalsContact O-CG 3.3Å; V355-M359 WeakPolarHBondContact O-CG 3.27Å; V355-M359 PolarHBondContact O-N 2.94Å; V355-F385 HydrophobicContact CB-CE1 3.85Å; V355-F385 HydrophobicContact CB-CZ 3.67Å; V355-F385 HydrophobicContact CG1-CD1 4.45Å; V355-F385 HydrophobicContact CG1-CE1 3.66Å; V355-F385 HydrophobicContact CG1-CE2 3.92Å; V355-F385 HydrophobicContact CG1-CZ 3.34Å; V355-F385 HydrophobicContact CG2-CZ 4.48Å; V355-V546 HydrophobicContact CB-CG1 4.16Å; V355-V546 HydrophobicContact CG1-CG1 4.37Å; V355-V546 HydrophobicContact CG2-CG1 3.68Å; V355-F571 HydrophobicContact CB-CD2 4.49Å; V355-F571 HydrophobicContact CB-CE2 4.49Å; V355-F571 HydrophobicContact CG1-CD2 4.4Å; V355-F571 HydrophobicContact CG1-CE1 4.2Å; V355-F571 HydrophobicContact CG1-CE2 3.99Å; V355-F571 HydrophobicContact CG1-CZ 3.87Å; V355-F571 HydrophobicContact CG2-CB 3.97Å; V355-F571 HydrophobicContact CG2-CD1 3.95Å; V355-F571 HydrophobicContact CG2-CD2 3.47Å; V355-F571 VanDerWaalsContact CG2-CD2 3.47Å; V355-F571 HydrophobicContact CG2-CE1 4.35Å; V355-F571 HydrophobicContact CG2-CE2 3.9Å; V355-F571 HydrophobicContact CG2-CG 3.47Å; V355-F571 VanDerWaalsContact CG2-CG 3.47Å; V355-F571 HydrophobicContact CG2-CZ 4.32Å
356	M	98.1	Very high	97.8	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-66.5	-38.6	-178.1	73.3	179.8	72.9	0	0	112.5	V311 A312 L315 K352 A353 S358 M359 T360 F385 A389	V311-M356 HydrophobicContact CB-SD 4.03Å; V311-M356 HydrophobicContact CG1-CE 4.18Å; V311-M356 HydrophobicContact CG1-SD 3.54Å; V311-M356 VanDerWaalsContact CG1-SD 3.54Å; A312-M356 HydrophobicContact CB-CG 3.98Å; A312-M356 HydrophobicContact CB-SD 4.15Å; L315-M356 HydrophobicContact CD1-CE 3.31Å; L315-M356 HydrophobicContact CD1-SD 3.97Å; K352-M356 HydrophobicContact CB-CE 4.27Å; K352-M356 VanDerWaalsContact O-CE 3.25Å; K352-M356 WeakPolarHBondContact O-CE 3.42Å; K352-M356 WeakPolarHBondContact O-CG 3.24Å; K352-M356 PolarHBondContact O-N 3.1Å; A353-M356 WeakPolarHBondContact O-CG 3.22Å; M356-S358 VanDerWaalsContact C-N 3.32Å; M356-M359 PolarHBondContact O-N 2.86Å; M356-T360 WeakPolarHBondContact O-CB 2.84Å; M356-T360 PolarHBondContact O-N 3.17Å; M356-T360 PolarHBondContact O-OG1 3.24Å; M356-F385 HydrophobicContact CB-CD1 3.77Å; M356-F385 HydrophobicContact CB-CE1 3.87Å; M356-A389 HydrophobicContact CE-CB 3.29Å
357	E	98.5	Very high	97.5	Very high	27 Å²	27	13.9 Å²	13.9	13%	0.126	8%	0.081	C	C	.	.	H	α-helix	trans	-61.7	-46.2	174.6	-176.7	-172.4	-150.2	0	0	109.3	A312 K316 A353 V355 M359 T360 Y361 R549	A312-E357 HydrophobicContact CB-CB 4.06Å; K316-E357 WeakPolarHBondContact CE-OE1 3.19Å; K316-E357 IonicContact NZ-OE1 2.96Å; K316-E357 PolarHBondContact NZ-OE1 3.44Å; K316-E357 IonicContact NZ-OE2 2.6Å; A353-E357 VanDerWaalsContact O-CB 3.25Å; A353-E357 WeakPolarHBondContact O-CB 3.31Å; A353-E357 PolarHBondContact O-N 3.23Å; V355-E357 PolarHBondContact O-N 2.94Å; E357-M359 PolarHBondContact O-N 2.71Å; E357-T360 PolarHBondContact O-N 2.95Å; E357-Y361 HydrophobicContact CG-CD2 3.76Å; E357-Y361 HydrophobicContact CG-CE2 3.92Å; E357-Y361 WeakPolarHBondContact O-CD2 3.44Å; E357-Y361 PolarHBondContact O-N 3.4Å; E357-R549 IonicContact OE1-NH2 3.76Å; E357-R549 IonicContact OE2-CZ 3.72Å; E357-R549 IonicContact OE2-NH1 2.76Å; E357-R549 PolarHBondContact OE2-NH1 3.41Å; E357-R549 IonicContact OE2-NH2 3.86Å; E357-R549 PolarHBondContact OE2-NH2 2.86Å
358	S	98.8	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.5	-45.7	177.9	-54.1	0	0	0	0	112.1	F56 Y354 V355 M356 T360 L362 R549	F56-S358 WeakPolarHBondContact CE2-O 3.42Å; F56-S358 WeakPolarHBondContact CZ-O 3.44Å; Y354-S358 VanDerWaalsContact O-CB 3.32Å; Y354-S358 WeakPolarHBondContact O-CB 3.34Å; Y354-S358 PolarHBondContact O-N 3.01Å; Y354-S358 PolarHBondContact O-OG 2.94Å; V355-S358 WeakPolarHBondContact O-CB 3.17Å; V355-S358 PolarHBondContact O-N 3.2Å; M356-S358 VanDerWaalsContact C-N 3.32Å; S358-T360 VanDerWaalsContact C-N 3.33Å; S358-T360 PolarHBondContact O-N 3.11Å; S358-L362 WeakPolarHBondContact O-CB 3.3Å; S358-L362 PolarHBondContact O-N 3.48Å; S358-R549 WeakPolarHBondContact OG-CD 3.49Å; S358-R549 PolarHBondContact OG-NH1 3.32Å; S358-R549 VanDerWaalsContact OG-NH1 3.12Å
359	M	98.8	Very high	96.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-40.6	177.3	-67	166.3	73.4	0	0	111.4	V355 M356 E357 T363 M381 V382 F385 Y541 A545	V355-M359 HydrophobicContact CG1-CG 4.32Å; V355-M359 HydrophobicContact CG1-SD 3.79Å; V355-M359 VanDerWaalsContact O-CG 3.3Å; V355-M359 WeakPolarHBondContact O-CG 3.27Å; V355-M359 PolarHBondContact O-N 2.94Å; M356-M359 PolarHBondContact O-N 2.86Å; E357-M359 PolarHBondContact O-N 2.71Å; M359-T363 WeakPolarHBondContact O-CB 3.2Å; M359-T363 PolarHBondContact O-N 3.36Å; M359-T363 PolarHBondContact O-OG1 3.21Å; M359-M381 HydrophobicContact CE-CB 4.18Å; M359-V382 HydrophobicContact CB-CG2 3.85Å; M359-F385 HydrophobicContact CE-CB 3.89Å; M359-F385 HydrophobicContact CE-CG 4.19Å; M359-F385 HydrophobicContact SD-CB 4.15Å; M359-F385 HydrophobicContact SD-CD1 3.91Å; M359-F385 HydrophobicContact SD-CD2 4.25Å; M359-F385 HydrophobicContact SD-CE1 4.4Å; M359-F385 HydrophobicContact SD-CG 3.83Å; M359-Y541 HydrophobicContact CB-CD1 4.31Å; M359-Y541 HydrophobicContact CB-CE1 3.99Å; M359-Y541 HydrophobicContact CE-CD1 3.63Å; M359-Y541 HydrophobicContact CE-CE1 4.32Å; M359-Y541 HydrophobicContact CG-CD1 4.09Å; M359-Y541 HydrophobicContact CG-CE1 4.23Å; M359-A545 HydrophobicContact CB-CB 4.37Å; M359-A545 HydrophobicContact CG-CB 3.86Å
360	T	98	Very high	95.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.4	-53.1	-179.7	-57.2	0	0	0	0	111.1	F305 G308 M356 E357 S358 L362 T363 A364	F305-T360 HydrophobicContact CD2-CG2 4.24Å; F305-T360 WeakPolarHBondContact O-CG2 3.35Å; G308-T360 VanDerWaalsContact C-OG1 3.27Å; G308-T360 WeakPolarHBondContact CA-OG1 3.29Å; M356-T360 WeakPolarHBondContact O-CB 2.84Å; M356-T360 PolarHBondContact O-N 3.17Å; M356-T360 PolarHBondContact O-OG1 3.24Å; E357-T360 PolarHBondContact O-N 2.95Å; S358-T360 VanDerWaalsContact C-N 3.33Å; S358-T360 PolarHBondContact O-N 3.11Å; T360-L362 VanDerWaalsContact C-N 3.33Å; T360-L362 PolarHBondContact O-N 2.86Å; T360-T363 PolarHBondContact O-N 3.24Å; T360-A364 WeakPolarHBondContact O-CB 3.4Å; T360-A364 PolarHBondContact O-N 3.18Å
361	Y	97.9	Very high	94.7	Very high	35 Å²	35	22.6 Å²	22.6	14%	0.137	13%	0.133	C	C	.	.	H	α-helix	trans	-69.5	-30.6	-178.3	-83.6	-87.1	0	0	0	112.5	T123 R127 E357 G365	T123-Y361 HydrophobicContact CG2-CD1 3.83Å; T123-Y361 HydrophobicContact CG2-CE1 3.89Å; R127-Y361 WeakPolarHBondContact CA-OH 3.31Å; R127-Y361 WeakPolarHBondContact CB-OH 3.38Å; R127-Y361 WeakPolarHBondContact CD-OH 3.46Å; R127-Y361 PolarHBondContact N-OH 3.47Å; E357-Y361 HydrophobicContact CG-CD2 3.76Å; E357-Y361 HydrophobicContact CG-CE2 3.92Å; E357-Y361 WeakPolarHBondContact O-CD2 3.44Å; E357-Y361 PolarHBondContact O-N 3.4Å; Y361-G365 PolarHBondContact O-N 3.33Å
362	L	97.6	Very high	93.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-47.6	169.1	-178.2	60.3	0	0	0	110.9	V53 F56 P57 S358 T360 G365 M366 Y541 T544 A545	V53-L362 HydrophobicContact CB-CD1 4.16Å; V53-L362 HydrophobicContact CB-CD2 4.3Å; V53-L362 HydrophobicContact CG1-CD1 4.22Å; V53-L362 HydrophobicContact CG1-CD2 4.12Å; F56-L362 HydrophobicContact CE2-CB 3.87Å; F56-L362 HydrophobicContact CZ-CB 4.3Å; P57-L362 HydrophobicContact CG-CD1 3.87Å; S358-L362 WeakPolarHBondContact O-CB 3.3Å; S358-L362 PolarHBondContact O-N 3.48Å; T360-L362 VanDerWaalsContact C-N 3.33Å; T360-L362 PolarHBondContact O-N 2.86Å; L362-G365 PolarHBondContact O-N 3.09Å; L362-M366 HydrophobicContact CG-SD 4.24Å; L362-M366 VanDerWaalsContact O-CG 3.23Å; L362-M366 WeakPolarHBondContact O-CG 3.37Å; L362-M366 PolarHBondContact O-N 2.95Å; L362-Y541 HydrophobicContact CD2-CE2 3.91Å; L362-T544 HydrophobicContact CD2-CG2 4.19Å; L362-A545 HydrophobicContact CD2-CB 3.96Å
363	T	96.9	Very high	92.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-44.2	178.8	-54.7	0	0	0	0	111.5	F305 M359 T360 M366 L367 C375 E378 V382 Y541	F305-T363 HydrophobicContact CB-CG2 3.72Å; F305-T363 HydrophobicContact CG-CG2 4.32Å; M359-T363 WeakPolarHBondContact O-CB 3.2Å; M359-T363 PolarHBondContact O-N 3.36Å; M359-T363 PolarHBondContact O-OG1 3.21Å; T360-T363 PolarHBondContact O-N 3.24Å; T363-M366 WeakPolarHBondContact O-CB 3.31Å; T363-M366 PolarHBondContact O-N 3.48Å; T363-L367 HydrophobicContact CG2-CD1 4.12Å; T363-L367 WeakPolarHBondContact O-CG 3.22Å; T363-L367 PolarHBondContact O-N 3.02Å; T363-C375 HydrophobicContact CG2-CB 4.21Å; T363-E378 HydrophobicContact CG2-CB 4.04Å; T363-V382 WeakPolarHBondContact OG1-CG2 3.47Å; T363-Y541 PolarHBondContact N-OH 3.44Å; T363-Y541 PolarHBondContact OG1-OH 3.34Å
364	A	95.4	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-48.4	177.8	0	0	0	0	0	111.1	N122 F305 T360 M366 L367 D368	N122-A364 HydrophobicContact CB-CB 4.08Å; F305-A364 HydrophobicContact CD2-CB 4.03Å; F305-A364 HydrophobicContact CE2-CB 3.76Å; T360-A364 WeakPolarHBondContact O-CB 3.4Å; T360-A364 PolarHBondContact O-N 3.18Å; A364-M366 VanDerWaalsContact C-N 3.28Å; A364-M366 PolarHBondContact O-N 2.73Å; A364-L367 WeakPolarHBondContact O-CB 3.35Å; A364-L367 PolarHBondContact O-N 3.04Å; A364-L367 VanDerWaalsContact O-N 3.09Å; A364-D368 VanDerWaalsContact O-CG 3.25Å; A364-D368 PolarHBondContact O-N 2.82Å
365	G	94.6	Very high	91.8	Very high	4 Å²	4	32.7 Å²	32.7	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-30.6	176.7	0	0	0	0	0	113.4	Y361 L362 Q369	Y361-G365 PolarHBondContact O-N 3.33Å; L362-G365 PolarHBondContact O-N 3.09Å; G365-Q369 WeakPolarHBondContact O-CG 3.49Å
366	M	93	Very high	91.5	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.059	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-48.4	169.3	-72.1	169.5	70.2	0	0	110.8	F39 V53 L362 T363 A364 D368 Q369 P373 E378	F39-M366 HydrophobicContact CB-CE 3.91Å; V53-M366 HydrophobicContact CG1-SD 4.31Å; L362-M366 HydrophobicContact CG-SD 4.24Å; L362-M366 VanDerWaalsContact O-CG 3.23Å; L362-M366 WeakPolarHBondContact O-CG 3.37Å; L362-M366 PolarHBondContact O-N 2.95Å; T363-M366 WeakPolarHBondContact O-CB 3.31Å; T363-M366 PolarHBondContact O-N 3.48Å; A364-M366 VanDerWaalsContact C-N 3.28Å; A364-M366 PolarHBondContact O-N 2.73Å; M366-D368 VanDerWaalsContact C-N 3.29Å; M366-D368 PolarHBondContact O-N 3.17Å; M366-Q369 VanDerWaalsContact O-CB 3.26Å; M366-Q369 WeakPolarHBondContact O-CB 3.38Å; M366-Q369 WeakPolarHBondContact O-CG 3.45Å; M366-Q369 PolarHBondContact O-N 2.62Å; M366-Q369 VanDerWaalsContact O-N 3.13Å; M366-P373 VanDerWaalsContact O-CG 3.28Å; M366-P373 WeakPolarHBondContact O-CG 3.36Å; M366-E378 HydrophobicContact CE-CG 4.33Å
367	L	91.6	Very high	91.4	Very high	42 Å²	42	33.2 Å²	33.2	22%	0.22	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-30.8	179.9	-75.1	168.4	0	0	0	113.7	N122 F305 T363 A364 Q369 P373 C375	N122-L367 HydrophobicContact CB-CB 4.42Å; F305-L367 HydrophobicContact CD1-CD1 3.46Å; F305-L367 VanDerWaalsContact CD1-CD1 3.46Å; F305-L367 HydrophobicContact CE1-CD1 3.64Å; F305-L367 HydrophobicContact CG-CD1 4.02Å; F305-L367 HydrophobicContact CZ-CD1 4.35Å; T363-L367 HydrophobicContact CG2-CD1 4.12Å; T363-L367 WeakPolarHBondContact O-CG 3.22Å; T363-L367 PolarHBondContact O-N 3.02Å; A364-L367 WeakPolarHBondContact O-CB 3.35Å; A364-L367 PolarHBondContact O-N 3.04Å; A364-L367 VanDerWaalsContact O-N 3.09Å; L367-Q369 PolarHBondContact O-N 2.98Å; L367-P373 HydrophobicContact CD2-CG 4.5Å; L367-C375 HydrophobicContact CD2-CB 3.8Å; L367-C375 HydrophobicContact CG-CB 4.02Å
368	D	91.8	Very high	91.4	Very high	52 Å²	52	31.9 Å²	31.9	28%	0.278	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.8	177.1	-68.6	-25.4	0	0	0	112.9	N122 T123 A364 M366	N122-D368 WeakPolarHBondContact CB-OD1 3.36Å; N122-D368 PolarHBondContact N-OD1 3.03Å; N122-D368 PolarHBondContact N-OD2 2.92Å; N122-D368 PolarHBondContact ND2-OD1 3.24Å; T123-D368 VanDerWaalsContact CB-OD2 3.26Å; T123-D368 WeakPolarHBondContact CB-OD2 3.44Å; T123-D368 PolarHBondContact N-OD2 2.81Å; T123-D368 PolarHBondContact OG1-OD2 2.81Å; A364-D368 VanDerWaalsContact O-CG 3.25Å; A364-D368 PolarHBondContact O-N 2.82Å; M366-D368 VanDerWaalsContact C-N 3.29Å; M366-D368 PolarHBondContact O-N 3.17Å
369	Q	87.5	Confident	91.3	Very high	84 Å²	84	31.9 Å²	31.9	39%	0.393	18%	0.178	S	C	.	.	S	Bend	trans	-73.5	144.7	175.8	-63.4	-72.7	-50.2	0	0	111.9	R37 G365 M366 L367	R37-Q369 VanDerWaalsContact NH1-CG 3.34Å; R37-Q369 VanDerWaalsContact NH1-OE1 3.14Å; G365-Q369 WeakPolarHBondContact O-CG 3.49Å; M366-Q369 VanDerWaalsContact O-CB 3.26Å; M366-Q369 WeakPolarHBondContact O-CB 3.38Å; M366-Q369 WeakPolarHBondContact O-CG 3.45Å; M366-Q369 PolarHBondContact O-N 2.62Å; M366-Q369 VanDerWaalsContact O-N 3.13Å; L367-Q369 PolarHBondContact O-N 2.98Å
370	P	82.4	Confident	91.2	Very high	110 Å²	110	31.9 Å²	31.9	71%	0.714	18%	0.178	S	C	*	.	S	Bend	trans	-58.4	146.1	172.5	-22.9	32.5	0	0	0	112.8
371	G	73.4	Confident	91.2	Very high	55 Å²	55	31.9 Å²	31.9	57%	0.567	18%	0.178	S	C	*	.	S	Bend	trans	103.6	22.8	166.3	0	0	0	0	0	117.1
372	F	72.9	Confident	91.3	Very high	197 Å²	197	30.3 Å²	30.3	86%	0.864	17%	0.172	S	C	*	.			trans	51.3	65.2	175.7	-59.3	-79.8	0	0	0	113.1
373	P	81.5	Confident	91.3	Very high	19 Å²	19	30.3 Å²	30.3	12%	0.123	17%	0.172	C	C	.	.			trans	-62.8	142.2	178.9	29.8	-35.9	0	0	0	110.7	R37 M366 L367 C375	R37-P373 HydrophobicContact CB-CB 4.21Å; M366-P373 VanDerWaalsContact O-CG 3.28Å; M366-P373 WeakPolarHBondContact O-CG 3.36Å; L367-P373 HydrophobicContact CD2-CG 4.5Å; P373-C375 PolarHBondContact O-N 3.04Å; P373-C375 VanDerWaalsContact O-N 3.14Å
374	D	88.3	Confident	91.4	Very high	42 Å²	42	30.3 Å²	30.3	23%	0.225	17%	0.172	C	C	.	.			trans	-88	83.9	177.9	-175.7	-5.1	0	0	0	109.7	I36 R37 K41 S376	I36-D374 HydrophobicContact CG2-CB 3.58Å; R37-D374 PolarHBondContact O-N 3.37Å; K41-D374 WeakPolarHBondContact CE-OD2 3.24Å; K41-D374 IonicContact NZ-OD1 3.43Å; K41-D374 IonicContact NZ-OD2 3.31Å; K41-D374 PolarHBondContact NZ-OD2 2.98Å; D374-S376 VanDerWaalsContact C-N 3.34Å; D374-S376 WeakPolarHBondContact OD1-CB 3.5Å; D374-S376 PolarHBondContact OD1-N 3.09Å; D374-S376 PolarHBondContact OD1-OG 3.47Å
375	C	92.5	Very high	91.5	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.041	18%	0.175	C	C	.	.			trans	-98	22.5	178.5	-57.4	0	0	0	0	112.5	T363 L367 P373 I377 E378 A379	T363-C375 HydrophobicContact CG2-CB 4.21Å; L367-C375 HydrophobicContact CD2-CB 3.8Å; L367-C375 HydrophobicContact CG-CB 4.02Å; P373-C375 PolarHBondContact O-N 3.04Å; P373-C375 VanDerWaalsContact O-N 3.14Å; C375-I377 PolarHBondContact O-N 3.32Å; C375-E378 VanDerWaalsContact CA-OE2 3.3Å; C375-E378 WeakPolarHBondContact CA-OE2 3.2Å; C375-E378 HydrophobicContact CB-CB 4.29Å; C375-E378 PolarHBondContact O-N 3.44Å; C375-A379 WeakPolarHBondContact O-CB 3.44Å; C375-A379 PolarHBondContact O-N 2.84Å
376	S	92.9	Very high	91.7	Very high	12 Å²	12	30.7 Å²	30.7	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-36.3	-172.5	58.3	0	0	0	0	112.9	D374 A380 Y435	D374-S376 VanDerWaalsContact C-N 3.34Å; D374-S376 WeakPolarHBondContact OD1-CB 3.5Å; D374-S376 PolarHBondContact OD1-N 3.09Å; D374-S376 PolarHBondContact OD1-OG 3.47Å; S376-A380 PolarHBondContact O-N 2.93Å; S376-Y435 VanDerWaalsContact CB-OH 3.23Å; S376-Y435 WeakPolarHBondContact CB-OH 3.3Å; S376-Y435 PolarHBondContact OG-OH 3.05Å
377	I	95.7	Very high	92	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-75.4	-42.3	175.8	-60.3	-175.1	0	0	0	109.8	A40 K41 C375 A379 A380 M381 I436 T439 L537	A40-I377 HydrophobicContact CB-CB 4.22Å; A40-I377 HydrophobicContact CB-CG2 4.04Å; K41-I377 HydrophobicContact CD-CD1 4.36Å; K41-I377 HydrophobicContact CG-CD1 3.67Å; C375-I377 PolarHBondContact O-N 3.32Å; I377-A379 PolarHBondContact O-N 3.28Å; I377-A380 PolarHBondContact O-N 3.26Å; I377-M381 HydrophobicContact CG2-CE 4.05Å; I377-M381 HydrophobicContact CG2-CG 4.33Å; I377-M381 HydrophobicContact CG2-SD 4.32Å; I377-M381 VanDerWaalsContact O-CG 3.31Å; I377-M381 WeakPolarHBondContact O-CG 3.27Å; I377-M381 PolarHBondContact O-N 3.44Å; I377-I436 HydrophobicContact CG2-CB 4.35Å; I377-I436 HydrophobicContact CG2-CG1 4.18Å; I377-I436 HydrophobicContact CG2-CG2 3.96Å; I377-T439 HydrophobicContact CD1-CG2 3.78Å; I377-T439 HydrophobicContact CG1-CG2 4.01Å; I377-L537 HydrophobicContact CG2-CD2 3.66Å
378	E	97.5	Very high	92.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-50.2	176.8	-68.7	82.5	168.3	0	0	111.2	A40 T363 M366 C375 A380 M381 V382 Y541	A40-E378 VanDerWaalsContact CB-CD 3.45Å; A40-E378 HydrophobicContact CB-CG 4.05Å; A40-E378 WeakPolarHBondContact CB-OE1 3.25Å; A40-E378 PolarHBondContact N-OE1 2.92Å; T363-E378 HydrophobicContact CG2-CB 4.04Å; M366-E378 HydrophobicContact CE-CG 4.33Å; C375-E378 VanDerWaalsContact CA-OE2 3.3Å; C375-E378 WeakPolarHBondContact CA-OE2 3.2Å; C375-E378 HydrophobicContact CB-CB 4.29Å; C375-E378 PolarHBondContact O-N 3.44Å; E378-A380 VanDerWaalsContact C-N 3.33Å; E378-A380 PolarHBondContact O-N 3.39Å; E378-M381 HydrophobicContact CB-CE 4.45Å; E378-M381 HydrophobicContact CG-CE 4.2Å; E378-M381 PolarHBondContact O-N 3.27Å; E378-M381 VanDerWaalsContact O-N 3.16Å; E378-V382 WeakPolarHBondContact O-CG2 3.41Å; E378-V382 PolarHBondContact O-N 3.41Å; E378-Y541 HydrophobicContact CB-CE1 4.16Å; E378-Y541 HydrophobicContact CB-CE2 4.41Å; E378-Y541 HydrophobicContact CG-CD2 4.32Å; E378-Y541 HydrophobicContact CG-CE1 4.31Å; E378-Y541 HydrophobicContact CG-CE2 3.69Å
379	A	96.3	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-38.9	176.7	0	0	0	0	0	112.5	R304 F305 C375 I377 V382 K383	R304-A379 HydrophobicContact CB-CB 4.02Å; F305-A379 HydrophobicContact CB-CB 4.16Å; C375-A379 WeakPolarHBondContact O-CB 3.44Å; C375-A379 PolarHBondContact O-N 2.84Å; I377-A379 PolarHBondContact O-N 3.28Å; A379-V382 PolarHBondContact O-N 2.98Å; A379-K383 PolarHBondContact O-N 3.37Å
380	A	97.7	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-39.7	175	0	0	0	0	0	112.2	S376 I377 E378 K383 V384 L432 Y435 I436	S376-A380 PolarHBondContact O-N 2.93Å; I377-A380 PolarHBondContact O-N 3.26Å; E378-A380 VanDerWaalsContact C-N 3.33Å; E378-A380 PolarHBondContact O-N 3.39Å; A380-K383 PolarHBondContact O-N 3.21Å; A380-V384 WeakPolarHBondContact O-CG2 3.49Å; A380-V384 PolarHBondContact O-N 3.48Å; A380-L432 HydrophobicContact CB-CD2 4.23Å; A380-Y435 HydrophobicContact CB-CD1 4.08Å; A380-Y435 HydrophobicContact CB-CE1 4.41Å; A380-I436 HydrophobicContact CB-CD1 4Å; A380-I436 HydrophobicContact CB-CG1 3.77Å
381	M	98.6	Very high	93.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-42.7	175.4	-69.2	-172.5	-67.9	0	0	111.5	A40 M359 I377 E378 K383 V384 F385 I436 L537 I538 Y541	A40-M381 HydrophobicContact CB-CE 3.67Å; M359-M381 HydrophobicContact CE-CB 4.18Å; I377-M381 HydrophobicContact CG2-CE 4.05Å; I377-M381 HydrophobicContact CG2-CG 4.33Å; I377-M381 HydrophobicContact CG2-SD 4.32Å; I377-M381 VanDerWaalsContact O-CG 3.31Å; I377-M381 WeakPolarHBondContact O-CG 3.27Å; I377-M381 PolarHBondContact O-N 3.44Å; E378-M381 HydrophobicContact CB-CE 4.45Å; E378-M381 HydrophobicContact CG-CE 4.2Å; E378-M381 PolarHBondContact O-N 3.27Å; E378-M381 VanDerWaalsContact O-N 3.16Å; M381-K383 PolarHBondContact O-N 3.21Å; M381-V384 PolarHBondContact O-N 3.4Å; M381-F385 VanDerWaalsContact O-CB 3.29Å; M381-F385 WeakPolarHBondContact O-CB 3.18Å; M381-F385 PolarHBondContact O-N 3.25Å; M381-I436 HydrophobicContact CG-CD1 3.81Å; M381-I436 HydrophobicContact CG-CG1 4.17Å; M381-I436 HydrophobicContact CG-CG2 4.35Å; M381-L537 HydrophobicContact CE-CD2 4.35Å; M381-L537 HydrophobicContact SD-CB 4.3Å; M381-L537 HydrophobicContact SD-CD2 3.65Å; M381-L537 HydrophobicContact SD-CG 3.66Å; M381-I538 HydrophobicContact CB-CG1 4.01Å; M381-I538 HydrophobicContact CG-CG1 3.68Å; M381-I538 HydrophobicContact SD-CG1 4.3Å; M381-Y541 HydrophobicContact CB-CD1 4.28Å; M381-Y541 VanDerWaalsContact CE-CB 3.43Å; M381-Y541 HydrophobicContact CE-CD1 3.64Å; M381-Y541 HydrophobicContact CE-CD2 3.9Å; M381-Y541 HydrophobicContact CE-CE1 4.41Å; M381-Y541 HydrophobicContact CE-CG 3.37Å; M381-Y541 HydrophobicContact SD-CD1 4.45Å; M381-Y541 HydrophobicContact SD-CG 4.2Å
382	V	98.5	Very high	95.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-48.3	174	172.5	0	0	0	0	110.6	F305 M359 T363 E378 A379 S386 Y541	F305-V382 WeakPolarHBondContact O-CG1 3.43Å; M359-V382 HydrophobicContact CB-CG2 3.85Å; T363-V382 WeakPolarHBondContact OG1-CG2 3.47Å; E378-V382 WeakPolarHBondContact O-CG2 3.41Å; E378-V382 PolarHBondContact O-N 3.41Å; A379-V382 PolarHBondContact O-N 2.98Å; V382-S386 WeakPolarHBondContact O-CB 3.4Å; V382-S386 PolarHBondContact O-N 2.94Å; V382-S386 PolarHBondContact O-OG 3.35Å; V382-Y541 HydrophobicContact CG2-CE1 4.29Å
383	K	98.2	Very high	96.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.5	-52.2	178.5	-167.5	-64.1	-165.5	170	0	111.6	R304 M307 A379 A380 M381 S386 S387 L422 F425 G427 N429 L432	R304-K383 HydrophobicContact CB-CB 4.41Å; R304-K383 HydrophobicContact CG-CG 4.4Å; M307-K383 HydrophobicContact CE-CD 4.24Å; M307-K383 HydrophobicContact CE-CG 3.89Å; M307-K383 HydrophobicContact SD-CD 3.92Å; M307-K383 HydrophobicContact SD-CG 3.79Å; A379-K383 PolarHBondContact O-N 3.37Å; A380-K383 PolarHBondContact O-N 3.21Å; M381-K383 PolarHBondContact O-N 3.21Å; K383-S386 PolarHBondContact O-OG 2.89Å; K383-S387 WeakPolarHBondContact O-CB 3.42Å; K383-S387 PolarHBondContact O-N 3.36Å; K383-S387 PolarHBondContact O-OG 3.46Å; K383-L422 WeakPolarHBondContact CE-O 3.33Å; K383-L422 PolarHBondContact NZ-O 3.44Å; K383-F425 WeakPolarHBondContact CE-O 3.46Å; K383-F425 PolarHBondContact NZ-O 3.38Å; K383-G427 VanDerWaalsContact CE-O 3.31Å; K383-G427 WeakPolarHBondContact CE-O 3.3Å; K383-G427 PolarHBondContact NZ-O 3.49Å; K383-N429 PolarHBondContact NZ-OD1 2.89Å; K383-L432 HydrophobicContact CB-CD1 4.07Å; K383-L432 HydrophobicContact CD-CD1 3.5Å; K383-L432 HydrophobicContact CG-CD1 3.8Å
384	V	98.8	Very high	97.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.5	-48.6	-178.2	174.7	0	0	0	0	110.9	A380 M381 S387 E388 N429 L432 I436 I538	A380-V384 WeakPolarHBondContact O-CG2 3.49Å; A380-V384 PolarHBondContact O-N 3.48Å; M381-V384 PolarHBondContact O-N 3.4Å; V384-S387 PolarHBondContact O-OG 2.92Å; V384-S387 VanDerWaalsContact O-OG 3.1Å; V384-E388 PolarHBondContact O-N 3.28Å; V384-N429 HydrophobicContact CG1-CB 4.36Å; V384-N429 HydrophobicContact CG2-CB 4.32Å; V384-L432 HydrophobicContact CG2-CB 3.59Å; V384-L432 HydrophobicContact CG2-CD1 3.99Å; V384-L432 HydrophobicContact CG2-CG 4.47Å; V384-I436 HydrophobicContact CG2-CD1 4.37Å; V384-I538 HydrophobicContact CB-CD1 4.05Å; V384-I538 HydrophobicContact CG1-CD1 3.68Å
385	F	98.8	Very high	97.6	Very high	12 Å²	12	15.8 Å²	15.8	5%	0.053	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-48.8	-179	-175	-85.1	0	0	0	111.9	K352 V355 M356 M359 M381 E388 A389 I538 F571	K352-F385 HydrophobicContact CD-CE1 4.31Å; K352-F385 HydrophobicContact CD-CZ 3.77Å; V355-F385 HydrophobicContact CB-CE1 3.85Å; V355-F385 HydrophobicContact CB-CZ 3.67Å; V355-F385 HydrophobicContact CG1-CD1 4.45Å; V355-F385 HydrophobicContact CG1-CE1 3.66Å; V355-F385 HydrophobicContact CG1-CE2 3.92Å; V355-F385 HydrophobicContact CG1-CZ 3.34Å; V355-F385 HydrophobicContact CG2-CZ 4.48Å; M356-F385 HydrophobicContact CB-CD1 3.77Å; M356-F385 HydrophobicContact CB-CE1 3.87Å; M359-F385 HydrophobicContact CE-CB 3.89Å; M359-F385 HydrophobicContact CE-CG 4.19Å; M359-F385 HydrophobicContact SD-CB 4.15Å; M359-F385 HydrophobicContact SD-CD1 3.91Å; M359-F385 HydrophobicContact SD-CD2 4.25Å; M359-F385 HydrophobicContact SD-CE1 4.4Å; M359-F385 HydrophobicContact SD-CG 3.83Å; M381-F385 VanDerWaalsContact O-CB 3.29Å; M381-F385 WeakPolarHBondContact O-CB 3.18Å; M381-F385 PolarHBondContact O-N 3.25Å; F385-E388 PolarHBondContact O-N 3.48Å; F385-A389 HydrophobicContact CD1-CB 4.45Å; F385-A389 HydrophobicContact CE1-CB 4.3Å; F385-A389 WeakPolarHBondContact O-CB 3.35Å; F385-A389 PolarHBondContact O-N 3.39Å; F385-I538 HydrophobicContact CB-CG2 4.06Å; F385-I538 HydrophobicContact CD2-CG2 3.93Å; F385-I538 HydrophobicContact CG-CG2 4.48Å; F385-F571 HydrophobicContact CE2-CE2 4.07Å; F385-F571 HydrophobicContact CE2-CZ 4.39Å; F385-F571 HydrophobicContact CZ-CE2 4.27Å
386	S	98.4	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-44.1	-177.3	56.7	0	0	0	0	112.3	V382 K383 E388 A389 A390	V382-S386 WeakPolarHBondContact O-CB 3.4Å; V382-S386 PolarHBondContact O-N 2.94Å; V382-S386 PolarHBondContact O-OG 3.35Å; K383-S386 PolarHBondContact O-OG 2.89Å; S386-E388 PolarHBondContact O-N 3.23Å; S386-A389 PolarHBondContact O-N 3.3Å; S386-A390 WeakPolarHBondContact O-CB 3.25Å; S386-A390 PolarHBondContact O-N 2.91Å
387	S	98.5	Very high	98.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.7	-38.7	179.7	56.3	0	0	0	0	113.3	K383 V384 W391 L422 N429	K383-S387 WeakPolarHBondContact O-CB 3.42Å; K383-S387 PolarHBondContact O-N 3.36Å; K383-S387 PolarHBondContact O-OG 3.46Å; V384-S387 PolarHBondContact O-OG 2.92Å; V384-S387 VanDerWaalsContact O-OG 3.1Å; S387-W391 PolarHBondContact O-N 3.46Å; S387-L422 WeakPolarHBondContact CB-O 3.47Å; S387-N429 PolarHBondContact OG-ND2 3.23Å; S387-N429 PolarHBondContact OG-OD1 2.92Å
388	E	98.8	Very high	98.3	Very high	69 Å²	69	18.1 Å²	18.1	32%	0.322	9%	0.088	S	C	.	.	H	α-helix	trans	-72.8	-41.8	176.2	-74.1	172.4	-172.4	0	0	112.2	V384 F385 S386 A390 W391 Q392 L423 N429 R433	V384-E388 PolarHBondContact O-N 3.28Å; F385-E388 PolarHBondContact O-N 3.48Å; S386-E388 PolarHBondContact O-N 3.23Å; E388-A390 VanDerWaalsContact C-N 3.31Å; E388-A390 PolarHBondContact O-N 3.27Å; E388-W391 PolarHBondContact O-N 2.7Å; E388-Q392 WeakPolarHBondContact O-CB 3.24Å; E388-Q392 PolarHBondContact O-N 3.05Å; E388-L423 HydrophobicContact CB-CD2 4.42Å; E388-L423 HydrophobicContact CG-CD2 3.61Å; E388-N429 WeakPolarHBondContact CG-ND2 3.36Å; E388-N429 PolarHBondContact OE1-ND2 3.48Å; E388-N429 VanDerWaalsContact OE1-ND2 3.13Å; E388-R433 IonicContact OE1-CZ 3.77Å; E388-R433 IonicContact OE1-NH1 2.75Å; E388-R433 PolarHBondContact OE1-NH1 3.15Å; E388-R433 IonicContact OE1-NH2 3.31Å; E388-R433 PolarHBondContact OE1-NH2 3Å; E388-R433 IonicContact OE2-CZ 2.69Å; E388-R433 IonicContact OE2-NH2 2.64Å; E388-R433 PolarHBondContact OE2-NH2 3.17Å
389	A	98.6	Very high	98.4	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-40.8	174.1	0	0	0	0	0	111.8	K352 M356 F385 S386 Q392 C393	K352-A389 HydrophobicContact CB-CB 3.99Å; K352-A389 HydrophobicContact CD-CB 4.12Å; K352-A389 HydrophobicContact CG-CB 4.21Å; M356-A389 HydrophobicContact CE-CB 3.29Å; F385-A389 HydrophobicContact CD1-CB 4.45Å; F385-A389 HydrophobicContact CE1-CB 4.3Å; F385-A389 WeakPolarHBondContact O-CB 3.35Å; F385-A389 PolarHBondContact O-N 3.39Å; S386-A389 PolarHBondContact O-N 3.3Å; A389-Q392 PolarHBondContact O-N 2.95Å; A389-C393 VanDerWaalsContact O-CB 3.28Å; A389-C393 WeakPolarHBondContact O-CB 3.46Å; A389-C393 PolarHBondContact O-N 3.32Å; A389-C393 PolarHBondContact O-SG 3.41Å
390	A	98.3	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56	-54.5	174.6	0	0	0	0	0	110.9	V311 M314 S386 E388 Q392 C393 V394 T419 L422	V311-A390 HydrophobicContact CG1-CB 3.58Å; V311-A390 HydrophobicContact CG2-CB 4.47Å; M314-A390 HydrophobicContact CE-CB 4.27Å; S386-A390 WeakPolarHBondContact O-CB 3.25Å; S386-A390 PolarHBondContact O-N 2.91Å; E388-A390 VanDerWaalsContact C-N 3.31Å; E388-A390 PolarHBondContact O-N 3.27Å; A390-Q392 VanDerWaalsContact C-N 3.34Å; A390-Q392 PolarHBondContact O-N 2.95Å; A390-C393 PolarHBondContact O-N 3.03Å; A390-V394 WeakPolarHBondContact O-CB 3.23Å; A390-V394 WeakPolarHBondContact O-CG2 3.48Å; A390-V394 PolarHBondContact O-N 3.31Å; A390-T419 HydrophobicContact CB-CG2 4.23Å; A390-L422 HydrophobicContact CB-CD1 4.17Å
391	W	98.3	Very high	98.5	Very high	96 Å²	96	24.9 Å²	24.9	36%	0.364	12%	0.12	S	C	.	.	H	α-helix	trans	-58.8	-45.7	-178.6	-178.8	-106	0	0	0	112	S387 E388 S395 L416 R420 L423	S387-W391 PolarHBondContact O-N 3.46Å; E388-W391 PolarHBondContact O-N 2.7Å; W391-S395 WeakPolarHBondContact O-CB 3.42Å; W391-S395 PolarHBondContact O-N 3.14Å; W391-L416 HydrophobicContact CE3-CD1 4.11Å; W391-L416 HydrophobicContact CH2-CD1 3.79Å; W391-L416 HydrophobicContact CH2-CG 4.18Å; W391-L416 HydrophobicContact CZ2-CD1 4.49Å; W391-L416 HydrophobicContact CZ3-CD1 3.57Å; W391-L416 HydrophobicContact CZ3-CG 3.97Å; W391-R420 HydrophobicContact CE3-CB 4.4Å; W391-R420 HydrophobicContact CZ3-CB 3.89Å; W391-R420 HydrophobicContact CZ3-CG 4.36Å; W391-L423 HydrophobicContact CB-CD1 4.23Å; W391-L423 HydrophobicContact CD2-CD1 4.48Å; W391-L423 HydrophobicContact CG-CD1 4.16Å
392	Q	98.6	Very high	98.4	Very high	75 Å²	75	26.7 Å²	26.7	35%	0.35	14%	0.138	S	C	.	.	H	α-helix	trans	-62.8	-52.1	177.9	-170.8	178.2	15	0	0	111.4	L348 E388 A389 A390 V394 S395 E396	L348-Q392 HydrophobicContact CD2-CG 4.13Å; E388-Q392 WeakPolarHBondContact O-CB 3.24Å; E388-Q392 PolarHBondContact O-N 3.05Å; A389-Q392 PolarHBondContact O-N 2.95Å; A390-Q392 VanDerWaalsContact C-N 3.34Å; A390-Q392 PolarHBondContact O-N 2.95Å; Q392-V394 PolarHBondContact O-N 3.39Å; Q392-S395 WeakPolarHBondContact O-CB 3.31Å; Q392-S395 PolarHBondContact O-N 2.89Å; Q392-E396 WeakPolarHBondContact O-CG 3.41Å; Q392-E396 PolarHBondContact O-N 2.92Å
393	C	98.8	Very high	98.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-40.4	-176.3	-64.9	0	0	0	0	112.4	L315 M349 A389 A390 E396 A397	L315-C393 HydrophobicContact CD1-CB 4.1Å; L315-C393 HydrophobicContact CD2-CB 3.53Å; L315-C393 HydrophobicContact CG-CB 4.46Å; M349-C393 HydrophobicContact CB-CB 4.47Å; M349-C393 HydrophobicContact CG-CB 3.81Å; M349-C393 HydrophobicContact SD-CB 4.43Å; A389-C393 VanDerWaalsContact O-CB 3.28Å; A389-C393 WeakPolarHBondContact O-CB 3.46Å; A389-C393 PolarHBondContact O-N 3.32Å; A389-C393 PolarHBondContact O-SG 3.41Å; A390-C393 PolarHBondContact O-N 3.03Å; C393-E396 PolarHBondContact O-N 3.47Å; C393-A397 WeakPolarHBondContact O-CB 3.25Å; C393-A397 PolarHBondContact O-N 3.16Å
394	V	98.4	Very high	98.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-44	176.4	177.3	0	0	0	0	110.9	M314 L315 L318 A390 Q392 E396 A397 L398 I415 L416 T419	M314-V394 HydrophobicContact SD-CG2 4.29Å; L315-V394 HydrophobicContact CD2-CG2 4.37Å; L318-V394 HydrophobicContact CD2-CB 4.38Å; L318-V394 HydrophobicContact CD2-CG2 3.78Å; A390-V394 WeakPolarHBondContact O-CB 3.23Å; A390-V394 WeakPolarHBondContact O-CG2 3.48Å; A390-V394 PolarHBondContact O-N 3.31Å; Q392-V394 PolarHBondContact O-N 3.39Å; V394-E396 VanDerWaalsContact C-N 3.28Å; V394-E396 PolarHBondContact O-N 3.07Å; V394-A397 PolarHBondContact O-N 2.87Å; V394-L398 HydrophobicContact CG1-CD1 3.74Å; V394-L398 WeakPolarHBondContact O-CD1 3.36Å; V394-L398 PolarHBondContact O-N 3.38Å; V394-I415 HydrophobicContact CG1-CB 4.5Å; V394-I415 HydrophobicContact CG1-CG2 4.05Å; V394-I415 HydrophobicContact CG2-CG2 3.64Å; V394-L416 HydrophobicContact CG1-CB 3.79Å; V394-L416 HydrophobicContact CG1-CD1 3.87Å; V394-L416 HydrophobicContact CG1-CG 4.48Å; V394-T419 HydrophobicContact CG2-CG2 4.15Å
395	S	98.3	Very high	98	Very high	56 Å²	56	32.6 Å²	32.6	39%	0.392	19%	0.185	S	C	.	.	H	α-helix	trans	-58.3	-41.8	174.3	-171.3	0	0	0	0	112	W391 Q392 L398 Q399	W391-S395 WeakPolarHBondContact O-CB 3.42Å; W391-S395 PolarHBondContact O-N 3.14Å; Q392-S395 WeakPolarHBondContact O-CB 3.31Å; Q392-S395 PolarHBondContact O-N 2.89Å; S395-L398 PolarHBondContact O-N 3.18Å; S395-Q399 PolarHBondContact O-N 3.48Å
396	E	98.7	Very high	97.9	Very high	42 Å²	42	41.7 Å²	41.7	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-37.4	177.7	-67.4	-59.5	169.6	0	0	112.8	K345 L348 M349 Q392 C393 V394 Q399 I400	K345-E396 HydrophobicContact CB-CB 4.45Å; K345-E396 VanDerWaalsContact CD-OE2 3.22Å; K345-E396 WeakPolarHBondContact CD-OE2 3.45Å; K345-E396 WeakPolarHBondContact CE-OE2 3.45Å; K345-E396 WeakPolarHBondContact CG-OE2 3.29Å; K345-E396 IonicContact NZ-OE1 3.79Å; K345-E396 IonicContact NZ-OE2 3.71Å; K345-E396 PolarHBondContact NZ-OE2 2.92Å; L348-E396 HydrophobicContact CD2-CG 4.06Å; M349-E396 HydrophobicContact SD-CB 4.49Å; Q392-E396 WeakPolarHBondContact O-CG 3.41Å; Q392-E396 PolarHBondContact O-N 2.92Å; C393-E396 PolarHBondContact O-N 3.47Å; V394-E396 VanDerWaalsContact C-N 3.28Å; V394-E396 PolarHBondContact O-N 3.07Å; E396-Q399 WeakPolarHBondContact O-CB 3.21Å; E396-Q399 PolarHBondContact O-N 2.9Å; E396-I400 WeakPolarHBondContact O-CG1 3.43Å; E396-I400 PolarHBondContact O-N 3.44Å
397	A	98.6	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-45.6	174.2	0	0	0	0	0	111.5	L318 T322 M349 C393 V394 Q399 I400 L401 Y412	L318-A397 HydrophobicContact CD1-CB 3.81Å; L318-A397 HydrophobicContact CD2-CB 3.82Å; L318-A397 HydrophobicContact CG-CB 3.84Å; T322-A397 HydrophobicContact CG2-CB 4.23Å; M349-A397 HydrophobicContact SD-CB 4.3Å; C393-A397 WeakPolarHBondContact O-CB 3.25Å; C393-A397 PolarHBondContact O-N 3.16Å; V394-A397 PolarHBondContact O-N 2.87Å; A397-Q399 VanDerWaalsContact C-N 3.28Å; A397-Q399 PolarHBondContact O-N 3.39Å; A397-I400 PolarHBondContact O-N 3.46Å; A397-L401 WeakPolarHBondContact O-CD1 3.39Å; A397-L401 PolarHBondContact O-N 3.08Å; A397-L401 VanDerWaalsContact O-N 3.14Å; A397-Y412 HydrophobicContact CB-CD1 4.06Å; A397-Y412 HydrophobicContact CB-CE1 3.99Å
398	L	98.1	Very high	97.7	Very high	25 Å²	25	51.4 Å²	51.4	13%	0.131	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-42.6	172.6	-86.8	82.3	0	0	0	111.4	V394 S395 I400 L401 G402 G405 L416	V394-L398 HydrophobicContact CG1-CD1 3.74Å; V394-L398 WeakPolarHBondContact O-CD1 3.36Å; V394-L398 PolarHBondContact O-N 3.38Å; S395-L398 PolarHBondContact O-N 3.18Å; L398-I400 VanDerWaalsContact C-N 3.33Å; L398-I400 PolarHBondContact O-N 3.3Å; L398-L401 PolarHBondContact O-N 3.46Å; L398-L401 VanDerWaalsContact O-N 3.16Å; L398-G402 PolarHBondContact O-N 3.25Å; L398-G405 WeakPolarHBondContact CD2-O 3.21Å; L398-L416 HydrophobicContact CD1-CB 4.2Å; L398-L416 HydrophobicContact CD2-CD2 3.88Å
399	Q	98.4	Very high	97.3	Very high	129 Å²	129	53.6 Å²	53.6	60%	0.603	28%	0.281	S	S	*	.	H	α-helix	trans	-63.7	-37.3	179.8	-167.8	62.9	30	0	0	112.4	S395 E396 A397 L401 G402	S395-Q399 PolarHBondContact O-N 3.48Å; E396-Q399 WeakPolarHBondContact O-CB 3.21Å; E396-Q399 PolarHBondContact O-N 2.9Å; A397-Q399 VanDerWaalsContact C-N 3.28Å; A397-Q399 PolarHBondContact O-N 3.39Å; Q399-L401 VanDerWaalsContact C-N 3.33Å; Q399-G402 PolarHBondContact O-N 2.98Å
400	I	98.6	Very high	97.1	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-38.9	174.6	-68.1	162.4	0	0	0	110.8	T322 Y325 A326 I342 K345 F346 M349 E396 A397 L398 G402	T322-I400 HydrophobicContact CG2-CB 3.88Å; T322-I400 HydrophobicContact CG2-CD1 3.66Å; T322-I400 HydrophobicContact CG2-CG1 4.39Å; T322-I400 HydrophobicContact CG2-CG2 3.75Å; Y325-I400 HydrophobicContact CD1-CG2 4.48Å; A326-I400 HydrophobicContact CB-CG2 4.19Å; I342-I400 HydrophobicContact CD1-CG1 4.24Å; K345-I400 HydrophobicContact CB-CD1 3.83Å; K345-I400 HydrophobicContact CB-CG1 4.29Å; K345-I400 HydrophobicContact CD-CD1 4.17Å; K345-I400 HydrophobicContact CD-CG1 3.69Å; F346-I400 HydrophobicContact CD2-CD1 4.47Å; F346-I400 HydrophobicContact CE2-CD1 4.05Å; F346-I400 HydrophobicContact CZ-CD1 4.07Å; M349-I400 HydrophobicContact CE-CD1 3.68Å; E396-I400 WeakPolarHBondContact O-CG1 3.43Å; E396-I400 PolarHBondContact O-N 3.44Å; A397-I400 PolarHBondContact O-N 3.46Å; L398-I400 VanDerWaalsContact C-N 3.33Å; L398-I400 PolarHBondContact O-N 3.3Å; I400-G402 VanDerWaalsContact C-N 3.33Å
401	L	97.9	Very high	96.9	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-72	-26.8	177.1	-87.4	82.9	0	0	0	113.4	T322 Y325 A397 L398 Q399 L404 Y412	T322-L401 HydrophobicContact CG2-CD1 4.06Å; Y325-L401 HydrophobicContact CD1-CD1 4.3Å; Y325-L401 HydrophobicContact CD1-CG 3.96Å; Y325-L401 HydrophobicContact CE1-CB 4.42Å; Y325-L401 HydrophobicContact CE1-CG 4.17Å; Y325-L401 HydrophobicContact CG-CG 4.29Å; Y325-L401 PolarHBondContact OH-O 3.34Å; A397-L401 WeakPolarHBondContact O-CD1 3.39Å; A397-L401 PolarHBondContact O-N 3.08Å; A397-L401 VanDerWaalsContact O-N 3.14Å; L398-L401 PolarHBondContact O-N 3.46Å; L398-L401 VanDerWaalsContact O-N 3.16Å; Q399-L401 VanDerWaalsContact C-N 3.33Å; L401-L404 HydrophobicContact CB-CB 4.37Å; L401-L404 HydrophobicContact CD2-CB 4.24Å; L401-Y412 HydrophobicContact CD1-CD1 4.12Å; L401-Y412 HydrophobicContact CD1-CD2 4.4Å; L401-Y412 HydrophobicContact CD1-CE1 3.59Å; L401-Y412 HydrophobicContact CD1-CE2 3.93Å; L401-Y412 HydrophobicContact CD1-CG 4.49Å; L401-Y412 VanDerWaalsContact CD1-CZ 3.47Å; L401-Y412 HydrophobicContact CD2-CD1 4.45Å; L401-Y412 HydrophobicContact CD2-CD2 3.37Å; L401-Y412 HydrophobicContact CD2-CE1 4.32Å; L401-Y412 HydrophobicContact CD2-CE2 3.22Å; L401-Y412 HydrophobicContact CD2-CG 4.01Å; L401-Y412 HydrophobicContact CG-CE2 4.21Å
402	G	97.4	Very high	96.8	Very high	38 Å²	38	56.1 Å²	56.1	39%	0.392	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	64.7	-134.1	-172.8	0	0	0	0	0	110.9	L398 Q399 I400 L404 G405	L398-G402 PolarHBondContact O-N 3.25Å; Q399-G402 PolarHBondContact O-N 2.98Å; I400-G402 VanDerWaalsContact C-N 3.33Å; G402-L404 PolarHBondContact O-N 3.49Å; G402-L404 VanDerWaalsContact O-N 3.12Å; G402-G405 PolarHBondContact O-N 3.23Å
403	G	96.7	Very high	96.8	Very high	64 Å²	64	53.9 Å²	53.9	66%	0.66	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-55.1	-32.7	-177.1	0	0	0	0	0	114.6	G405 Y406	G403-G405 VanDerWaalsContact C-N 3.31Å; G403-G405 PolarHBondContact O-N 2.91Å; G403-Y406 PolarHBondContact O-N 3.49Å
404	L	95.4	Very high	96.7	Very high	61 Å²	61	55.5 Å²	55.5	32%	0.319	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-64.1	-35.7	177.9	-68.6	-179.3	0	0	0	112.6	Y325 L401 G402 Y406 T407 Y410	Y325-L404 HydrophobicContact CE2-CD1 3.62Å; L401-L404 HydrophobicContact CB-CB 4.37Å; L401-L404 HydrophobicContact CD2-CB 4.24Å; G402-L404 PolarHBondContact O-N 3.49Å; G402-L404 VanDerWaalsContact O-N 3.12Å; L404-Y406 PolarHBondContact O-N 2.65Å; L404-Y406 VanDerWaalsContact O-N 3.15Å; L404-T407 PolarHBondContact O-N 2.56Å; L404-T407 PolarHBondContact O-OG1 2.87Å; L404-Y410 HydrophobicContact CB-CE2 4.47Å; L404-Y410 HydrophobicContact CD2-CE2 4.04Å
405	G	95.6	Very high	96.7	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.01	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-64.3	-18.4	178.7	0	0	0	0	0	113.1	L398 G402 G403	L398-G405 WeakPolarHBondContact CD2-O 3.21Å; G402-G405 PolarHBondContact O-N 3.23Å; G403-G405 VanDerWaalsContact C-N 3.31Å; G403-G405 PolarHBondContact O-N 2.91Å
406	Y	96.8	Very high	96.7	Very high	202 Å²	202	56.1 Å²	56.1	79%	0.792	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-93.1	-7	177	-164.1	-112.4	0	0	0	113.5	G403 L404	G403-Y406 PolarHBondContact O-N 3.49Å; L404-Y406 PolarHBondContact O-N 2.65Å; L404-Y406 VanDerWaalsContact O-N 3.15Å
407	T	96.1	Very high	96.7	Very high	51 Å²	51	55.8 Å²	55.8	31%	0.313	29%	0.286	S	S	.	.	S	Bend	trans	-91.6	153	179.1	67.1	0	0	0	0	111.9	L404 D409	L404-T407 PolarHBondContact O-N 2.56Å; L404-T407 PolarHBondContact O-OG1 2.87Å; T407-D409 VanDerWaalsContact C-N 3.3Å; T407-D409 PolarHBondContact O-N 3.14Å
408	K	95	Very high	96.6	Very high	153 Å²	153	56.5 Å²	56.5	67%	0.665	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2.9	-178.3	-64.6	-171.1	173.7	-173.6	0	114.6	Y410 E413	K408-Y410 VanDerWaalsContact C-N 3.28Å; K408-E413 HydrophobicContact CG-CG 4.13Å
409	D	91.3	Very high	96.6	Very high	116 Å²	116	55.5 Å²	55.5	62%	0.62	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.9	177.5	-67.1	-40.4	0	0	0	112.4	R85 T407	R85-D409 IonicContact NH2-OD1 2.77Å; R85-D409 PolarHBondContact NH2-OD1 2.97Å; T407-D409 VanDerWaalsContact C-N 3.3Å; T407-D409 PolarHBondContact O-N 3.14Å
410	Y	93.1	Very high	96.6	Very high	113 Å²	113	53.8 Å²	53.8	44%	0.443	27%	0.273	S	S	.	.	S	Bend	trans	-120.9	153.2	177.7	-59	-85.4	0	0	0	110.6	L404 K408 Y412	L404-Y410 HydrophobicContact CB-CE2 4.47Å; L404-Y410 HydrophobicContact CD2-CE2 4.04Å; K408-Y410 VanDerWaalsContact C-N 3.28Å; Y410-Y412 PolarHBondContact O-N 2.99Å; Y410-Y412 VanDerWaalsContact O-N 3.14Å
411	P	94.9	Very high	96.6	Very high	32 Å²	32	56.1 Å²	56.1	21%	0.208	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.6	-170.5	29.9	-35.6	0	0	0	114.5	M321 E413 R414 I415	M321-P411 HydrophobicContact CE-CG 3.55Å; P411-E413 PolarHBondContact O-N 3.42Å; P411-R414 WeakPolarHBondContact O-CB 3.33Å; P411-R414 PolarHBondContact O-N 3.43Å; P411-I415 HydrophobicContact CB-CD1 4.18Å; P411-I415 VanDerWaalsContact O-CG1 3.29Å; P411-I415 WeakPolarHBondContact O-CG1 3.38Å; P411-I415 PolarHBondContact O-N 2.9Å
412	Y	97.1	Very high	96.6	Very high	6 Å²	6	56.8 Å²	56.8	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-47.7	-173.7	-68.3	-86.9	0	0	0	113.3	L318 M321 T322 A397 L401 Y410 R414 I415 L416	L318-Y412 HydrophobicContact CD1-CD1 3.68Å; L318-Y412 HydrophobicContact CD1-CE1 3.56Å; M321-Y412 HydrophobicContact CE-CE2 4.43Å; T322-Y412 WeakPolarHBondContact CA-OH 3.45Å; T322-Y412 PolarHBondContact N-OH 3.47Å; T322-Y412 WeakPolarHBondContact OG1-CE1 3.32Å; T322-Y412 PolarHBondContact OG1-OH 3Å; A397-Y412 HydrophobicContact CB-CD1 4.06Å; A397-Y412 HydrophobicContact CB-CE1 3.99Å; L401-Y412 HydrophobicContact CD1-CD1 4.12Å; L401-Y412 HydrophobicContact CD1-CD2 4.4Å; L401-Y412 HydrophobicContact CD1-CE1 3.59Å; L401-Y412 HydrophobicContact CD1-CE2 3.93Å; L401-Y412 HydrophobicContact CD1-CG 4.49Å; L401-Y412 VanDerWaalsContact CD1-CZ 3.47Å; L401-Y412 HydrophobicContact CD2-CD1 4.45Å; L401-Y412 HydrophobicContact CD2-CD2 3.37Å; L401-Y412 HydrophobicContact CD2-CE1 4.32Å; L401-Y412 HydrophobicContact CD2-CE2 3.22Å; L401-Y412 HydrophobicContact CD2-CG 4.01Å; L401-Y412 HydrophobicContact CG-CE2 4.21Å; Y410-Y412 PolarHBondContact O-N 2.99Å; Y410-Y412 VanDerWaalsContact O-N 3.14Å; Y412-R414 VanDerWaalsContact C-N 3.3Å; Y412-R414 PolarHBondContact O-N 3.47Å; Y412-I415 PolarHBondContact O-N 3.42Å; Y412-L416 PolarHBondContact O-N 3.26Å
413	E	97.1	Very high	96.6	Very high	28 Å²	28	56.3 Å²	56.3	13%	0.131	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-37.2	-179.9	72.7	80.3	-156.6	0	0	111.7	K408 P411 L416 R417	K408-E413 HydrophobicContact CG-CG 4.13Å; P411-E413 PolarHBondContact O-N 3.42Å; E413-L416 WeakPolarHBondContact O-CB 3.36Å; E413-L416 PolarHBondContact O-N 3.13Å; E413-R417 WeakPolarHBondContact O-CG 3.29Å; E413-R417 PolarHBondContact O-N 3.35Å; E413-R417 IonicContact OE1-CZ 3.7Å; E413-R417 IonicContact OE1-NE 3.8Å; E413-R417 IonicContact OE1-NH2 2.7Å; E413-R417 PolarHBondContact OE1-NH2 2.98Å; E413-R417 IonicContact OE2-CZ 3.51Å; E413-R417 IonicContact OE2-NE 2.69Å; E413-R417 PolarHBondContact OE2-NE 3.26Å; E413-R417 IonicContact OE2-NH2 3.32Å; E413-R417 PolarHBondContact OE2-NH2 3.16Å
414	R	97.7	Very high	96.7	Very high	36 Å²	36	57 Å²	57	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-49.2	173.9	-177.9	-173.3	67	-142.3	0.5	110.9	S84 D88 P411 Y412 L416 R417 D418	S84-R414 VanDerWaalsContact CB-NH1 3.33Å; S84-R414 VanDerWaalsContact CB-NH2 3.28Å; S84-R414 PolarHBondContact O-NH1 2.96Å; S84-R414 VanDerWaalsContact O-NH1 3.15Å; D88-R414 HydrophobicContact CB-CG 4.27Å; P411-R414 WeakPolarHBondContact O-CB 3.33Å; P411-R414 PolarHBondContact O-N 3.43Å; Y412-R414 VanDerWaalsContact C-N 3.3Å; Y412-R414 PolarHBondContact O-N 3.47Å; R414-L416 PolarHBondContact O-N 3.16Å; R414-R417 WeakPolarHBondContact O-CB 3.4Å; R414-R417 PolarHBondContact O-N 3.42Å; R414-D418 WeakPolarHBondContact O-CB 3.13Å; R414-D418 PolarHBondContact O-N 3.37Å
415	I	97.9	Very high	96.7	Very high	25 Å²	25	56.6 Å²	56.6	13%	0.128	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-37.6	178.1	-64.2	164.9	0	0	0	110.6	M314 L318 V394 P411 Y412 D418 T419	M314-I415 HydrophobicContact CG-CG2 4.4Å; M314-I415 HydrophobicContact SD-CG2 3.7Å; L318-I415 HydrophobicContact CD1-CD1 4.27Å; V394-I415 HydrophobicContact CG1-CB 4.5Å; V394-I415 HydrophobicContact CG1-CG2 4.05Å; V394-I415 HydrophobicContact CG2-CG2 3.64Å; P411-I415 HydrophobicContact CB-CD1 4.18Å; P411-I415 VanDerWaalsContact O-CG1 3.29Å; P411-I415 WeakPolarHBondContact O-CG1 3.38Å; P411-I415 PolarHBondContact O-N 2.9Å; Y412-I415 PolarHBondContact O-N 3.42Å; I415-D418 PolarHBondContact O-N 3.07Å; I415-T419 HydrophobicContact CG2-CG2 4.24Å; I415-T419 WeakPolarHBondContact O-CB 3.22Å; I415-T419 VanDerWaalsContact O-CG2 3.25Å; I415-T419 WeakPolarHBondContact O-CG2 3.47Å; I415-T419 PolarHBondContact O-N 3.36Å; I415-T419 PolarHBondContact O-OG1 3.47Å
416	L	97.9	Very high	96.5	Very high	43 Å²	43	58.5 Å²	58.5	23%	0.225	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-47.8	173.5	-176.4	77.8	0	0	0	111.6	W391 V394 L398 Y412 E413 R414 T419 R420	W391-L416 HydrophobicContact CE3-CD1 4.11Å; W391-L416 HydrophobicContact CH2-CD1 3.79Å; W391-L416 HydrophobicContact CH2-CG 4.18Å; W391-L416 HydrophobicContact CZ2-CD1 4.49Å; W391-L416 HydrophobicContact CZ3-CD1 3.57Å; W391-L416 HydrophobicContact CZ3-CG 3.97Å; V394-L416 HydrophobicContact CG1-CB 3.79Å; V394-L416 HydrophobicContact CG1-CD1 3.87Å; V394-L416 HydrophobicContact CG1-CG 4.48Å; L398-L416 HydrophobicContact CD1-CB 4.2Å; L398-L416 HydrophobicContact CD2-CD2 3.88Å; Y412-L416 PolarHBondContact O-N 3.26Å; E413-L416 WeakPolarHBondContact O-CB 3.36Å; E413-L416 PolarHBondContact O-N 3.13Å; R414-L416 PolarHBondContact O-N 3.16Å; L416-T419 PolarHBondContact O-OG1 3.03Å; L416-T419 VanDerWaalsContact O-OG1 3.14Å; L416-R420 PolarHBondContact O-N 3.2Å
417	R	98.4	Very high	96.4	Very high	35 Å²	35	50 Å²	50	13%	0.132	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-45.6	177	-71.7	-176.1	-64.7	104	-8.1	111.5	D88 L263 E413 R414 T419 R420	D88-R417 IonicContact OD1-CZ 3.52Å; D88-R417 IonicContact OD1-NH1 2.8Å; D88-R417 PolarHBondContact OD1-NH1 2.8Å; D88-R417 IonicContact OD1-NH2 3.83Å; D88-R417 PolarHBondContact OD1-NH2 2.84Å; D88-R417 IonicContact OD2-CZ 3.61Å; D88-R417 IonicContact OD2-NH1 3.59Å; D88-R417 IonicContact OD2-NH2 2.59Å; D88-R417 PolarHBondContact OD2-NH2 3.24Å; L263-R417 HydrophobicContact CD1-CB 4.45Å; L263-R417 HydrophobicContact CD1-CG 3.87Å; L263-R417 HydrophobicContact CG-CB 4.08Å; L263-R417 HydrophobicContact CG-CG 4.03Å; L263-R417 WeakPolarHBondContact O-CB 3.37Å; L263-R417 VanDerWaalsContact O-CD 3.26Å; L263-R417 WeakPolarHBondContact O-CD 3.36Å; L263-R417 PolarHBondContact O-NH1 2.87Å; E413-R417 WeakPolarHBondContact O-CG 3.29Å; E413-R417 PolarHBondContact O-N 3.35Å; E413-R417 IonicContact OE1-CZ 3.7Å; E413-R417 IonicContact OE1-NE 3.8Å; E413-R417 IonicContact OE1-NH2 2.7Å; E413-R417 PolarHBondContact OE1-NH2 2.98Å; E413-R417 IonicContact OE2-CZ 3.51Å; E413-R417 IonicContact OE2-NE 2.69Å; E413-R417 PolarHBondContact OE2-NE 3.26Å; E413-R417 IonicContact OE2-NH2 3.32Å; E413-R417 PolarHBondContact OE2-NH2 3.16Å; R414-R417 WeakPolarHBondContact O-CB 3.4Å; R414-R417 PolarHBondContact O-N 3.42Å; R417-T419 PolarHBondContact O-N 3.26Å; R417-R420 PolarHBondContact O-N 2.98Å
418	D	98.3	Very high	96.5	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.08	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-37.6	-177.3	-68.3	-1.2	0	0	0	112.1	G264 I265 R414 I415 R420 I421	G264-D418 WeakPolarHBondContact CA-OD1 3.31Å; I265-D418 HydrophobicContact CG2-CB 3.93Å; I265-D418 PolarHBondContact N-OD1 3.21Å; R414-D418 WeakPolarHBondContact O-CB 3.13Å; R414-D418 PolarHBondContact O-N 3.37Å; I415-D418 PolarHBondContact O-N 3.07Å; D418-R420 PolarHBondContact O-N 3.39Å; D418-I421 WeakPolarHBondContact O-CG2 3.3Å
419	T	97.4	Very high	96.7	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-77.3	-19.4	-177.1	50.7	0	0	0	0	113.7	M314 A390 V394 I415 L416 R417 I421 L422	M314-T419 HydrophobicContact CE-CG2 3.43Å; M314-T419 VanDerWaalsContact CE-CG2 3.43Å; M314-T419 HydrophobicContact SD-CG2 4.39Å; A390-T419 HydrophobicContact CB-CG2 4.23Å; V394-T419 HydrophobicContact CG2-CG2 4.15Å; I415-T419 HydrophobicContact CG2-CG2 4.24Å; I415-T419 WeakPolarHBondContact O-CB 3.22Å; I415-T419 VanDerWaalsContact O-CG2 3.25Å; I415-T419 WeakPolarHBondContact O-CG2 3.47Å; I415-T419 PolarHBondContact O-N 3.36Å; I415-T419 PolarHBondContact O-OG1 3.47Å; L416-T419 PolarHBondContact O-OG1 3.03Å; L416-T419 VanDerWaalsContact O-OG1 3.14Å; R417-T419 PolarHBondContact O-N 3.26Å; T419-I421 VanDerWaalsContact C-N 3.26Å; T419-I421 PolarHBondContact O-N 3.3Å; T419-L422 HydrophobicContact CG2-CD1 4.08Å; T419-L422 VanDerWaalsContact O-CB 3.3Å; T419-L422 WeakPolarHBondContact O-CB 3.46Å; T419-L422 WeakPolarHBondContact O-CG 3.46Å; T419-L422 PolarHBondContact O-N 2.83Å; T419-L422 VanDerWaalsContact O-N 3.09Å
420	R	98.3	Very high	97	Very high	92 Å²	92	41.9 Å²	41.9	35%	0.347	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-60.4	-35.1	-176.8	-178.7	58.2	-169.9	89.1	-4.8	113	L263 W391 L416 R417 D418 L422	L263-R420 HydrophobicContact CD2-CB 4.02Å; L263-R420 HydrophobicContact CD2-CG 4.04Å; W391-R420 HydrophobicContact CE3-CB 4.4Å; W391-R420 HydrophobicContact CZ3-CB 3.89Å; W391-R420 HydrophobicContact CZ3-CG 4.36Å; L416-R420 PolarHBondContact O-N 3.2Å; R417-R420 PolarHBondContact O-N 2.98Å; D418-R420 PolarHBondContact O-N 3.39Å; R420-L422 PolarHBondContact O-N 3.48Å
421	I	98.1	Very high	97.2	Very high	55 Å²	55	40 Å²	40	28%	0.282	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-69.9	-22.1	-178.9	-166.4	61.7	0	0	0	112.8	I265 D418 T419 L423 I424 F425	I265-I421 HydrophobicContact CD1-CG2 3.9Å; I265-I421 HydrophobicContact CG1-CG2 4.42Å; D418-I421 WeakPolarHBondContact O-CG2 3.3Å; T419-I421 VanDerWaalsContact C-N 3.26Å; T419-I421 PolarHBondContact O-N 3.3Å; I421-L423 PolarHBondContact O-N 2.81Å; I421-I424 HydrophobicContact CD1-CB 4.22Å; I421-I424 HydrophobicContact CD1-CD1 4.4Å; I421-I424 PolarHBondContact O-N 3.47Å; I421-F425 HydrophobicContact CG1-CB 4.35Å; I421-F425 HydrophobicContact CG1-CD2 4.06Å; I421-F425 HydrophobicContact CG1-CG 4.11Å; I421-F425 HydrophobicContact CG2-CE2 4.39Å; I421-F425 HydrophobicContact CG2-CZ 4.46Å; I421-F425 WeakPolarHBondContact O-CD1 3.42Å; I421-F425 PolarHBondContact O-N 2.75Å; I421-F425 VanDerWaalsContact O-N 3.09Å
422	L	97.8	Very high	97.4	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.115	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-61	-30.6	-177.7	-57.2	-179.2	0	0	0	112.6	M307 V311 K383 S387 A390 T419 R420 I424 F425	M307-L422 HydrophobicContact SD-CB 4.39Å; M307-L422 HydrophobicContact SD-CD2 4.41Å; V311-L422 HydrophobicContact CG2-CD1 3.75Å; K383-L422 WeakPolarHBondContact CE-O 3.33Å; K383-L422 PolarHBondContact NZ-O 3.44Å; S387-L422 WeakPolarHBondContact CB-O 3.47Å; A390-L422 HydrophobicContact CB-CD1 4.17Å; T419-L422 HydrophobicContact CG2-CD1 4.08Å; T419-L422 VanDerWaalsContact O-CB 3.3Å; T419-L422 WeakPolarHBondContact O-CB 3.46Å; T419-L422 WeakPolarHBondContact O-CG 3.46Å; T419-L422 PolarHBondContact O-N 2.83Å; T419-L422 VanDerWaalsContact O-N 3.09Å; R420-L422 PolarHBondContact O-N 3.48Å; L422-I424 PolarHBondContact O-N 2.93Å; L422-F425 HydrophobicContact CB-CE1 4.46Å; L422-F425 HydrophobicContact CD2-CE1 3.54Å; L422-F425 HydrophobicContact CD2-CZ 3.6Å
423	L	98.4	Very high	97.4	Very high	28 Å²	28	39 Å²	39	15%	0.147	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-70.5	-15.8	176.4	-62.5	169.4	0	0	0	113.1	E388 W391 I421 N429	E388-L423 HydrophobicContact CB-CD2 4.42Å; E388-L423 HydrophobicContact CG-CD2 3.61Å; W391-L423 HydrophobicContact CB-CD1 4.23Å; W391-L423 HydrophobicContact CD2-CD1 4.48Å; W391-L423 HydrophobicContact CG-CD1 4.16Å; I421-L423 PolarHBondContact O-N 2.81Å; L423-N429 WeakPolarHBondContact CD2-ND2 3.4Å; L423-N429 PolarHBondContact O-N 2.9Å; L423-N429 VanDerWaalsContact O-N 3.16Å; L423-N429 PolarHBondContact O-OD1 3.27Å
424	I	98.2	Very high	97.5	Very high	77 Å²	77	39 Å²	39	40%	0.395	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-57.5	-166.9	-58	171.7	0	0	0	111.8	I421 L422 G427 T428	I421-I424 HydrophobicContact CD1-CB 4.22Å; I421-I424 HydrophobicContact CD1-CD1 4.4Å; I421-I424 PolarHBondContact O-N 3.47Å; L422-I424 PolarHBondContact O-N 2.93Å; I424-G427 CarbonylContact O-C 3.58Å; I424-G427 VanDerWaalsContact O-C 3.28Å; I424-T428 HydrophobicContact CG2-CG2 4.33Å; I424-T428 VanDerWaalsContact O-CA 3.23Å; I424-T428 WeakPolarHBondContact O-CA 3.27Å; I424-T428 WeakPolarHBondContact O-CG2 3.4Å; I424-T428 PolarHBondContact O-N 3Å
425	F	95.1	Very high	97.5	Very high	54 Å²	54	40.5 Å²	40.5	24%	0.237	20%	0.197	C	C	.	.	S	Bend	trans	-74.4	174.9	-174.4	75.6	-7.4	0	0	0	112.5	V140 M307 K383 I421 L422 G427	V140-F425 HydrophobicContact CG1-CE2 4.42Å; V140-F425 HydrophobicContact CG2-CE2 4.16Å; V140-F425 HydrophobicContact CG2-CZ 4.41Å; M307-F425 HydrophobicContact CE-CD1 4.13Å; M307-F425 HydrophobicContact CE-CE1 3.42Å; M307-F425 VanDerWaalsContact CE-CE1 3.42Å; M307-F425 HydrophobicContact CE-CZ 4.22Å; M307-F425 HydrophobicContact SD-CE1 4.46Å; K383-F425 WeakPolarHBondContact CE-O 3.46Å; K383-F425 PolarHBondContact NZ-O 3.38Å; I421-F425 HydrophobicContact CG1-CB 4.35Å; I421-F425 HydrophobicContact CG1-CD2 4.06Å; I421-F425 HydrophobicContact CG1-CG 4.11Å; I421-F425 HydrophobicContact CG2-CE2 4.39Å; I421-F425 HydrophobicContact CG2-CZ 4.46Å; I421-F425 WeakPolarHBondContact O-CD1 3.42Å; I421-F425 PolarHBondContact O-N 2.75Å; I421-F425 VanDerWaalsContact O-N 3.09Å; L422-F425 HydrophobicContact CB-CE1 4.46Å; L422-F425 HydrophobicContact CD2-CE1 3.54Å; L422-F425 HydrophobicContact CD2-CZ 3.6Å; F425-G427 PolarHBondContact O-N 3.27Å; F425-G427 VanDerWaalsContact O-N 3.11Å
426	E	92.2	Very high	97.5	Very high	40 Å²	40	39.3 Å²	39.3	19%	0.187	19%	0.191	C	C	.	.	S	Bend	trans	58.2	22.1	-174.5	-70.5	-65.5	146.8	0	0	113.5	L300 R304 M307	L300-E426 VanDerWaalsContact CD2-OE2 3.29Å; L300-E426 WeakPolarHBondContact CD2-OE2 3.42Å; R304-E426 PolarHBondContact NE-O 2.87Å; R304-E426 PolarHBondContact NH2-O 3.42Å; M307-E426 HydrophobicContact CE-CB 4.02Å; M307-E426 HydrophobicContact CE-CG 4.07Å
427	G	94.4	Very high	97.5	Very high	23 Å²	23	37.2 Å²	37.2	24%	0.237	18%	0.18	C	C	.	.	S	Bend	trans	94.4	121.2	-168	0	0	0	0	0	111.2	K383 I424 F425 L432	K383-G427 VanDerWaalsContact CE-O 3.31Å; K383-G427 WeakPolarHBondContact CE-O 3.3Å; K383-G427 PolarHBondContact NZ-O 3.49Å; I424-G427 CarbonylContact O-C 3.58Å; I424-G427 VanDerWaalsContact O-C 3.28Å; F425-G427 PolarHBondContact O-N 3.27Å; F425-G427 VanDerWaalsContact O-N 3.11Å; G427-L432 WeakPolarHBondContact O-CD1 3.18Å
428	T	98	Very high	97.4	Very high	29 Å²	29	38 Å²	38	18%	0.178	19%	0.186	C	C	.	.			trans	-56.4	146.7	175.4	59.7	0	0	0	0	109.9	I424 E430 I431 L432	I424-T428 HydrophobicContact CG2-CG2 4.33Å; I424-T428 VanDerWaalsContact O-CA 3.23Å; I424-T428 WeakPolarHBondContact O-CA 3.27Å; I424-T428 WeakPolarHBondContact O-CG2 3.4Å; I424-T428 PolarHBondContact O-N 3Å; T428-E430 PolarHBondContact O-N 3.37Å; T428-E430 VanDerWaalsContact O-N 3.12Å; T428-I431 PolarHBondContact O-N 3.28Å; T428-I431 WeakPolarHBondContact OG1-CB 3.31Å; T428-I431 WeakPolarHBondContact OG1-CG1 3.38Å; T428-I431 PolarHBondContact OG1-N 2.93Å; T428-L432 PolarHBondContact O-N 2.89Å
429	N	98.6	Very high	97.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.011	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-29.6	-178.5	-73.9	6.5	0	0	0	112.9	K383 V384 S387 E388 L423 R433	K383-N429 PolarHBondContact NZ-OD1 2.89Å; V384-N429 HydrophobicContact CG1-CB 4.36Å; V384-N429 HydrophobicContact CG2-CB 4.32Å; S387-N429 PolarHBondContact OG-ND2 3.23Å; S387-N429 PolarHBondContact OG-OD1 2.92Å; E388-N429 WeakPolarHBondContact CG-ND2 3.36Å; E388-N429 PolarHBondContact OE1-ND2 3.48Å; E388-N429 VanDerWaalsContact OE1-ND2 3.13Å; L423-N429 WeakPolarHBondContact CD2-ND2 3.4Å; L423-N429 PolarHBondContact O-N 2.9Å; L423-N429 VanDerWaalsContact O-N 3.16Å; L423-N429 PolarHBondContact O-OD1 3.27Å; N429-R433 WeakPolarHBondContact O-CB 3.07Å; N429-R433 VanDerWaalsContact O-CG 3.28Å; N429-R433 WeakPolarHBondContact O-CG 3.25Å; N429-R433 PolarHBondContact O-N 3.45Å
430	E	98.4	Very high	97.2	Very high	119 Å²	119	38 Å²	38	56%	0.556	19%	0.187	S	C	*	.	H	α-helix	trans	-62.9	-51.6	174.1	-69.4	61.2	-127.2	0	0	111.4	T428 L432 R433 M434	T428-E430 PolarHBondContact O-N 3.37Å; T428-E430 VanDerWaalsContact O-N 3.12Å; E430-L432 VanDerWaalsContact C-N 3.34Å; E430-L432 PolarHBondContact O-N 2.69Å; E430-R433 WeakPolarHBondContact O-CB 3.29Å; E430-R433 PolarHBondContact O-N 3.13Å; E430-M434 WeakPolarHBondContact O-CG 3.22Å; E430-M434 PolarHBondContact O-N 2.82Å
431	I	97.5	Very high	97.1	Very high	74 Å²	74	33.9 Å²	33.9	38%	0.379	17%	0.172	S	C	.	.	H	α-helix	trans	-64.1	-39.4	178.7	-64.7	-70.8	0	0	0	111.4	T428 R433 M434 Y435	T428-I431 PolarHBondContact O-N 3.28Å; T428-I431 WeakPolarHBondContact OG1-CB 3.31Å; T428-I431 WeakPolarHBondContact OG1-CG1 3.38Å; T428-I431 PolarHBondContact OG1-N 2.93Å; I431-R433 VanDerWaalsContact C-N 3.34Å; I431-R433 PolarHBondContact O-N 3.06Å; I431-M434 PolarHBondContact O-N 3.03Å; I431-Y435 WeakPolarHBondContact O-CB 3.49Å; I431-Y435 PolarHBondContact O-N 3.24Å
432	L	97.9	Very high	97	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-36.8	175.8	-68.6	179.7	0	0	0	112	A380 K383 V384 G427 T428 E430 Y435 I436	A380-L432 HydrophobicContact CB-CD2 4.23Å; K383-L432 HydrophobicContact CB-CD1 4.07Å; K383-L432 HydrophobicContact CD-CD1 3.5Å; K383-L432 HydrophobicContact CG-CD1 3.8Å; V384-L432 HydrophobicContact CG2-CB 3.59Å; V384-L432 HydrophobicContact CG2-CD1 3.99Å; V384-L432 HydrophobicContact CG2-CG 4.47Å; G427-L432 WeakPolarHBondContact O-CD1 3.18Å; T428-L432 PolarHBondContact O-N 2.89Å; E430-L432 VanDerWaalsContact C-N 3.34Å; E430-L432 PolarHBondContact O-N 2.69Å; L432-Y435 WeakPolarHBondContact O-CB 3.13Å; L432-Y435 PolarHBondContact O-N 3.47Å; L432-I436 WeakPolarHBondContact O-CB 3.33Å; L432-I436 WeakPolarHBondContact O-CD1 3.38Å; L432-I436 WeakPolarHBondContact O-CG1 3.39Å; L432-I436 PolarHBondContact O-N 3.08Å
433	R	98.6	Very high	96.8	Very high	16 Å²	16	37 Å²	37	6%	0.06	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-42.3	171.1	-76.5	177.5	172.1	96.5	5.7	112.1	E388 N429 E430 I431 Y435 I436 A437 A534 N535	E388-R433 IonicContact OE1-CZ 3.77Å; E388-R433 IonicContact OE1-NH1 2.75Å; E388-R433 PolarHBondContact OE1-NH1 3.15Å; E388-R433 IonicContact OE1-NH2 3.31Å; E388-R433 PolarHBondContact OE1-NH2 3Å; E388-R433 IonicContact OE2-CZ 2.69Å; E388-R433 IonicContact OE2-NH2 2.64Å; E388-R433 PolarHBondContact OE2-NH2 3.17Å; N429-R433 WeakPolarHBondContact O-CB 3.07Å; N429-R433 VanDerWaalsContact O-CG 3.28Å; N429-R433 WeakPolarHBondContact O-CG 3.25Å; N429-R433 PolarHBondContact O-N 3.45Å; E430-R433 WeakPolarHBondContact O-CB 3.29Å; E430-R433 PolarHBondContact O-N 3.13Å; I431-R433 VanDerWaalsContact C-N 3.34Å; I431-R433 PolarHBondContact O-N 3.06Å; R433-Y435 VanDerWaalsContact C-N 3.33Å; R433-Y435 PolarHBondContact O-N 3.09Å; R433-I436 PolarHBondContact O-N 2.99Å; R433-A437 WeakPolarHBondContact O-CB 3.43Å; R433-A437 PolarHBondContact O-N 3.24Å; R433-A534 HydrophobicContact CB-CB 3.7Å; R433-A534 HydrophobicContact CG-CB 3.87Å; R433-A534 VanDerWaalsContact O-CB 3.31Å; R433-A534 WeakPolarHBondContact O-CB 3.35Å; R433-N535 PolarHBondContact NE-OD1 2.97Å; R433-N535 PolarHBondContact NH2-OD1 2.88Å
434	M	98.2	Very high	96.5	Very high	27 Å²	27	35.9 Å²	35.9	13%	0.133	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-44.3	174.5	-62.5	-53.5	86.6	0	0	111	E430 I431 A437 L438 Q527 L530 K531	E430-M434 WeakPolarHBondContact O-CG 3.22Å; E430-M434 PolarHBondContact O-N 2.82Å; I431-M434 PolarHBondContact O-N 3.03Å; M434-A437 PolarHBondContact O-N 3.18Å; M434-L438 VanDerWaalsContact O-CB 3.22Å; M434-L438 WeakPolarHBondContact O-CB 3.35Å; M434-L438 VanDerWaalsContact O-CG 3.24Å; M434-L438 WeakPolarHBondContact O-CG 3.49Å; M434-L438 PolarHBondContact O-N 3.19Å; M434-Q527 HydrophobicContact SD-CB 3.96Å; M434-Q527 HydrophobicContact SD-CG 3.95Å; M434-L530 HydrophobicContact CE-CB 3.49Å; M434-L530 VanDerWaalsContact CE-CB 3.49Å; M434-L530 HydrophobicContact SD-CB 3.66Å; M434-L530 HydrophobicContact SD-CD1 3.73Å; M434-L530 HydrophobicContact SD-CG 4.37Å; M434-K531 HydrophobicContact CE-CB 4.27Å
435	Y	96.7	Very high	96.2	Very high	67 Å²	67	33 Å²	33	26%	0.263	17%	0.169	S	C	.	.	H	α-helix	trans	-59.4	-48.5	176.3	176.9	-103.1	0	0	0	112.5	S376 A380 I431 L432 R433 T439	S376-Y435 VanDerWaalsContact CB-OH 3.23Å; S376-Y435 WeakPolarHBondContact CB-OH 3.3Å; S376-Y435 PolarHBondContact OG-OH 3.05Å; A380-Y435 HydrophobicContact CB-CD1 4.08Å; A380-Y435 HydrophobicContact CB-CE1 4.41Å; I431-Y435 WeakPolarHBondContact O-CB 3.49Å; I431-Y435 PolarHBondContact O-N 3.24Å; L432-Y435 WeakPolarHBondContact O-CB 3.13Å; L432-Y435 PolarHBondContact O-N 3.47Å; R433-Y435 VanDerWaalsContact C-N 3.33Å; R433-Y435 PolarHBondContact O-N 3.09Å; Y435-T439 WeakPolarHBondContact CE2-OG1 3.44Å; Y435-T439 WeakPolarHBondContact O-CB 3.49Å; Y435-T439 PolarHBondContact O-N 2.64Å; Y435-T439 PolarHBondContact O-OG1 2.96Å
436	I	98.1	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56	-53.9	177.2	-72.5	161.1	0	0	0	110.3	I377 A380 M381 V384 L432 R433 G440 A534 L537 I538	I377-I436 HydrophobicContact CG2-CB 4.35Å; I377-I436 HydrophobicContact CG2-CG1 4.18Å; I377-I436 HydrophobicContact CG2-CG2 3.96Å; A380-I436 HydrophobicContact CB-CD1 4Å; A380-I436 HydrophobicContact CB-CG1 3.77Å; M381-I436 HydrophobicContact CG-CD1 3.81Å; M381-I436 HydrophobicContact CG-CG1 4.17Å; M381-I436 HydrophobicContact CG-CG2 4.35Å; V384-I436 HydrophobicContact CG2-CD1 4.37Å; L432-I436 WeakPolarHBondContact O-CB 3.33Å; L432-I436 WeakPolarHBondContact O-CD1 3.38Å; L432-I436 WeakPolarHBondContact O-CG1 3.39Å; L432-I436 PolarHBondContact O-N 3.08Å; R433-I436 PolarHBondContact O-N 2.99Å; I436-G440 PolarHBondContact O-N 2.75Å; I436-A534 HydrophobicContact CB-CB 4.2Å; I436-A534 HydrophobicContact CG2-CB 3.97Å; I436-L537 HydrophobicContact CG2-CB 4.39Å; I436-L537 HydrophobicContact CG2-CD2 3.53Å; I436-I538 HydrophobicContact CD1-CD1 4.17Å; I436-I538 HydrophobicContact CD1-CG1 4.27Å
437	A	98.4	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-49.9	-177.1	0	0	0	0	0	111.9	R433 M434 G440 L441 L530 V533 A534	R433-A437 WeakPolarHBondContact O-CB 3.43Å; R433-A437 PolarHBondContact O-N 3.24Å; M434-A437 PolarHBondContact O-N 3.18Å; A437-G440 PolarHBondContact O-N 3.33Å; A437-L441 VanDerWaalsContact O-CB 3.27Å; A437-L441 WeakPolarHBondContact O-CB 3.48Å; A437-L441 WeakPolarHBondContact O-CD1 3.44Å; A437-L441 WeakPolarHBondContact O-CG 3.31Å; A437-L441 PolarHBondContact O-N 3.24Å; A437-L530 HydrophobicContact CB-CB 3.97Å; A437-L530 HydrophobicContact CB-CD2 3.8Å; A437-L530 HydrophobicContact CB-CG 4.49Å; A437-L530 WeakPolarHBondContact CB-O 3.47Å; A437-V533 HydrophobicContact CB-CB 4.21Å; A437-V533 HydrophobicContact CB-CG1 3.94Å; A437-A534 HydrophobicContact CB-CB 4.28Å
438	L	97.4	Very high	95.2	Very high	50 Å²	50	38.1 Å²	38.1	26%	0.262	18%	0.183	S	C	.	.	H	α-helix	trans	-67.2	-41.1	-175.7	-69.9	174.6	0	0	0	112.5	M434 G440 L441 Q442 M524 L530	M434-L438 VanDerWaalsContact O-CB 3.22Å; M434-L438 WeakPolarHBondContact O-CB 3.35Å; M434-L438 VanDerWaalsContact O-CG 3.24Å; M434-L438 WeakPolarHBondContact O-CG 3.49Å; M434-L438 PolarHBondContact O-N 3.19Å; L438-G440 VanDerWaalsContact C-N 3.33Å; L438-G440 PolarHBondContact O-N 3.17Å; L438-L441 PolarHBondContact O-N 3.43Å; L438-Q442 WeakPolarHBondContact O-CB 3.49Å; L438-Q442 PolarHBondContact O-N 3.18Å; L438-M524 HydrophobicContact CD2-CB 4.42Å; L438-M524 HydrophobicContact CD2-CG 3.92Å; L438-L530 HydrophobicContact CD1-CD1 4.37Å; L438-L530 HydrophobicContact CD2-CD1 3.81Å; L438-L530 HydrophobicContact CD2-CD2 3.78Å; L438-L530 HydrophobicContact CD2-CG 4.48Å; L438-L530 HydrophobicContact CG-CD1 4.03Å; L438-L530 HydrophobicContact CG-CD2 4.25Å
439	T	95.8	Very high	94.5	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.129	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-41.2	179.5	-55.2	0	0	0	0	110.9	I377 Y435 H443	I377-T439 HydrophobicContact CD1-CG2 3.78Å; I377-T439 HydrophobicContact CG1-CG2 4.01Å; Y435-T439 WeakPolarHBondContact CE2-OG1 3.44Å; Y435-T439 WeakPolarHBondContact O-CB 3.49Å; Y435-T439 PolarHBondContact O-N 2.64Å; Y435-T439 PolarHBondContact O-OG1 2.96Å; T439-H443 PolarHBondContact O-N 3.31Å; T439-H443 VanDerWaalsContact O-N 3.16Å
440	G	96	Very high	93.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.6	-44.1	176.6	0	0	0	0	0	113.6	F44 I436 A437 L438 Q442 H443 A444	F44-G440 VanDerWaalsContact CE2-CA 3.44Å; I436-G440 PolarHBondContact O-N 2.75Å; A437-G440 PolarHBondContact O-N 3.33Å; L438-G440 VanDerWaalsContact C-N 3.33Å; L438-G440 PolarHBondContact O-N 3.17Å; G440-Q442 VanDerWaalsContact C-N 3.28Å; G440-Q442 PolarHBondContact O-N 3.13Å; G440-H443 WeakPolarHBondContact O-CB 3.38Å; G440-H443 PolarHBondContact O-N 2.86Å; G440-H443 VanDerWaalsContact O-N 3.16Å; G440-A444 PolarHBondContact O-N 3.31Å
441	L	96.3	Very high	92.3	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-37.9	174.1	-74.7	167.2	0	0	0	111.8	F44 A437 L438 A444 G445 V512 L516 I523 L530	F44-L441 HydrophobicContact CD1-CD2 4.4Å; F44-L441 HydrophobicContact CD1-CG 4.39Å; F44-L441 HydrophobicContact CE1-CD2 4.45Å; F44-L441 HydrophobicContact CE1-CG 4.07Å; A437-L441 VanDerWaalsContact O-CB 3.27Å; A437-L441 WeakPolarHBondContact O-CB 3.48Å; A437-L441 WeakPolarHBondContact O-CD1 3.44Å; A437-L441 WeakPolarHBondContact O-CG 3.31Å; A437-L441 PolarHBondContact O-N 3.24Å; L438-L441 PolarHBondContact O-N 3.43Å; L441-A444 PolarHBondContact O-N 3.33Å; L441-G445 PolarHBondContact O-N 3.49Å; L441-V512 HydrophobicContact CD2-CG1 3.92Å; L441-V512 HydrophobicContact CD2-CG2 4.41Å; L441-L516 HydrophobicContact CB-CD2 4.28Å; L441-L516 HydrophobicContact CD2-CD2 4.04Å; L441-L516 HydrophobicContact CD2-CG 4.08Å; L441-I523 HydrophobicContact CD1-CD1 3.65Å; L441-I523 HydrophobicContact CD1-CG1 4.19Å; L441-I523 HydrophobicContact CD2-CD1 4.17Å; L441-L530 HydrophobicContact CD1-CD2 3.43Å; L441-L530 VanDerWaalsContact CD1-CD2 3.43Å
442	Q	94.4	Very high	91	Very high	108 Å²	108	41.8 Å²	41.8	51%	0.505	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-42.1	175.8	-167.4	-171.1	27.6	0	0	111.3	L438 G440 R446	L438-Q442 WeakPolarHBondContact O-CB 3.49Å; L438-Q442 PolarHBondContact O-N 3.18Å; G440-Q442 VanDerWaalsContact C-N 3.28Å; G440-Q442 PolarHBondContact O-N 3.13Å; Q442-R446 VanDerWaalsContact NE2-NH2 3.18Å; Q442-R446 VanDerWaalsContact O-CG 3.31Å; Q442-R446 WeakPolarHBondContact O-CG 3.43Å; Q442-R446 PolarHBondContact O-N 2.89Å
443	H	93.6	Very high	89.4	Confident	36 Å²	36	50.7 Å²	50.7	17%	0.167	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-51.9	174	-178.6	79.3	0	0	0	111.4	K41 E42 T439 G440 G445 R446 I447	K41-H443 HydrophobicContact CB-CB 4.16Å; K41-H443 HydrophobicContact CD-CB 4.15Å; K41-H443 HydrophobicContact CG-CB 4.41Å; K41-H443 PolarHBondContact O-CD2 2.87Å; E42-H443 IonicContact OE1-CE1 2.95Å; E42-H443 IonicContact OE1-NE2 3.15Å; E42-H443 PolarHBondContact OE1-NE2 2.85Å; T439-H443 PolarHBondContact O-N 3.31Å; T439-H443 VanDerWaalsContact O-N 3.16Å; G440-H443 WeakPolarHBondContact O-CB 3.38Å; G440-H443 PolarHBondContact O-N 2.86Å; G440-H443 VanDerWaalsContact O-N 3.16Å; H443-G445 PolarHBondContact O-N 3.4Å; H443-R446 PolarHBondContact O-N 2.91Å; H443-I447 WeakPolarHBondContact NE2-CD1 3.2Å; H443-I447 PolarHBondContact O-N 3.29Å
444	A	93.3	Very high	87.6	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-42.9	178.8	0	0	0	0	0	112.5	F44 L45 G440 L441 R446 I447 L448 V512 L516	F44-A444 HydrophobicContact CB-CB 4.05Å; L45-A444 HydrophobicContact CD2-CB 3.96Å; G440-A444 PolarHBondContact O-N 3.31Å; L441-A444 PolarHBondContact O-N 3.33Å; A444-R446 PolarHBondContact O-N 3.38Å; A444-I447 PolarHBondContact O-N 2.9Å; A444-L448 WeakPolarHBondContact O-CB 3.13Å; A444-L448 PolarHBondContact O-N 2.94Å; A444-V512 HydrophobicContact CB-CG1 3.84Å; A444-L516 HydrophobicContact CB-CD1 3.94Å
445	G	91.8	Very high	85.5	Confident	17 Å²	17	60.9 Å²	60.9	18%	0.175	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-38.5	179.1	0	0	0	0	0	113.5	L441 H443 T449	L441-G445 PolarHBondContact O-N 3.49Å; H443-G445 PolarHBondContact O-N 3.4Å; G445-T449 VanDerWaalsContact O-CB 3.29Å; G445-T449 WeakPolarHBondContact O-CB 3.41Å; G445-T449 PolarHBondContact O-N 2.89Å; G445-T449 PolarHBondContact O-OG1 3.23Å
446	R	90.9	Very high	83.2	Confident	148 Å²	148	66.1 Å²	66.1	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-61.3	-44.9	173.8	-72.2	177.5	-152.5	158.9	3.8	111.2	Q442 H443 A444 A450	Q442-R446 VanDerWaalsContact NE2-NH2 3.18Å; Q442-R446 VanDerWaalsContact O-CG 3.31Å; Q442-R446 WeakPolarHBondContact O-CG 3.43Å; Q442-R446 PolarHBondContact O-N 2.89Å; H443-R446 PolarHBondContact O-N 2.91Å; A444-R446 PolarHBondContact O-N 3.38Å; R446-A450 WeakPolarHBondContact O-CB 3.37Å; R446-A450 PolarHBondContact O-N 2.91Å
447	I	88	Confident	80.9	Confident	47 Å²	47	74.8 Å²	74.8	24%	0.241	35%	0.35	C	S	.	.	H	α-helix	trans	-69.4	-43.5	-179.5	-67.1	170.1	0	0	0	111.2	L45 H443 A444 T449 A450 R451	L45-I447 HydrophobicContact CD1-CD1 3.51Å; L45-I447 HydrophobicContact CD2-CB 4.34Å; L45-I447 HydrophobicContact CD2-CD1 4.22Å; L45-I447 HydrophobicContact CD2-CG2 4.26Å; L45-I447 HydrophobicContact CG-CD1 4.42Å; H443-I447 WeakPolarHBondContact NE2-CD1 3.2Å; H443-I447 PolarHBondContact O-N 3.29Å; A444-I447 PolarHBondContact O-N 2.9Å; I447-T449 VanDerWaalsContact C-N 3.34Å; I447-T449 PolarHBondContact O-N 3.46Å; I447-A450 PolarHBondContact O-N 2.92Å; I447-R451 WeakPolarHBondContact O-CG 3.49Å; I447-R451 PolarHBondContact O-N 3.34Å
448	L	81.9	Confident	78.3	Confident	29 Å²	29	79.3 Å²	79.3	15%	0.152	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-42.8	176.9	-174.5	63.5	0	0	0	111.2	A444 R451 I452 E513 L516	A444-L448 WeakPolarHBondContact O-CB 3.13Å; A444-L448 PolarHBondContact O-N 2.94Å; L448-R451 PolarHBondContact O-N 3.44Å; L448-I452 HydrophobicContact CD1-CD1 4.45Å; L448-I452 HydrophobicContact CG-CD1 4.06Å; L448-I452 VanDerWaalsContact O-CG1 3.31Å; L448-I452 WeakPolarHBondContact O-CG1 3.28Å; L448-I452 PolarHBondContact O-N 3.05Å; L448-E513 HydrophobicContact CD1-CG 4.42Å; L448-E513 HydrophobicContact CD2-CG 4.32Å; L448-L516 HydrophobicContact CD2-CB 4.4Å
449	T	82.6	Confident	75.7	Confident	66 Å²	66	86.2 Å²	86.2	41%	0.405	41%	0.405	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175.9	-57.9	0	0	0	0	111.7	G445 I447 I452 R453	G445-T449 VanDerWaalsContact O-CB 3.29Å; G445-T449 WeakPolarHBondContact O-CB 3.41Å; G445-T449 PolarHBondContact O-N 2.89Å; G445-T449 PolarHBondContact O-OG1 3.23Å; I447-T449 VanDerWaalsContact C-N 3.34Å; I447-T449 PolarHBondContact O-N 3.46Å; T449-I452 PolarHBondContact O-N 3.02Å; T449-R453 WeakPolarHBondContact O-CG 3.35Å; T449-R453 PolarHBondContact O-N 3.44Å
450	A	78.1	Confident	73.1	Confident	44 Å²	44	91.9 Å²	91.9	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-46.9	176	0	0	0	0	0	111.3	R446 I447 I452 R453 E454	R446-A450 WeakPolarHBondContact O-CB 3.37Å; R446-A450 PolarHBondContact O-N 2.91Å; I447-A450 PolarHBondContact O-N 2.92Å; A450-I452 PolarHBondContact O-N 3.42Å; A450-R453 WeakPolarHBondContact O-CB 3.41Å; A450-R453 PolarHBondContact O-N 3Å; A450-R453 VanDerWaalsContact O-N 3.15Å; A450-E454 WeakPolarHBondContact O-CG 3.3Å; A450-E454 PolarHBondContact O-N 2.62Å
451	R	73.1	Confident	70.8	Confident	111 Å²	111	95 Å²	95	42%	0.419	46%	0.458	S	S	.	.	H	α-helix	trans	-58.3	-49.1	174.7	-72.6	178.3	-179.7	177.7	-3	111.9	I447 L448 R453 E454 F455	I447-R451 WeakPolarHBondContact O-CG 3.49Å; I447-R451 PolarHBondContact O-N 3.34Å; L448-R451 PolarHBondContact O-N 3.44Å; R451-R453 PolarHBondContact O-N 3.45Å; R451-E454 PolarHBondContact O-N 2.98Å; R451-E454 VanDerWaalsContact O-N 3.11Å; R451-F455 HydrophobicContact CB-CD2 4.39Å; R451-F455 WeakPolarHBondContact O-CD2 3.32Å; R451-F455 PolarHBondContact O-N 3.3Å
452	I	69.3	Low	68.5	Low	80 Å²	80	99 Å²	99	41%	0.41	48%	0.483	S	S	.	.	H	α-helix	trans	-59.6	-35.6	178.7	-68	166.4	0	0	0	111.4	L448 T449 A450 K456	L448-I452 HydrophobicContact CD1-CD1 4.45Å; L448-I452 HydrophobicContact CG-CD1 4.06Å; L448-I452 VanDerWaalsContact O-CG1 3.31Å; L448-I452 WeakPolarHBondContact O-CG1 3.28Å; L448-I452 PolarHBondContact O-N 3.05Å; T449-I452 PolarHBondContact O-N 3.02Å; A450-I452 PolarHBondContact O-N 3.42Å; I452-K456 PolarHBondContact O-N 3.22Å
453	R	65.1	Low	66.2	Low	188 Å²	188	99.6 Å²	99.6	71%	0.709	49%	0.494	S	S	*	.	H	α-helix	trans	-68.8	-40	175.3	-74.1	175.9	-179.9	-173.4	-0.4	112.4	T449 A450 R451 K456	T449-R453 WeakPolarHBondContact O-CG 3.35Å; T449-R453 PolarHBondContact O-N 3.44Å; A450-R453 WeakPolarHBondContact O-CB 3.41Å; A450-R453 PolarHBondContact O-N 3Å; A450-R453 VanDerWaalsContact O-N 3.15Å; R451-R453 PolarHBondContact O-N 3.45Å; R453-K456 PolarHBondContact O-N 2.75Å
454	E	59.8	Low	63.5	Low	138 Å²	138	105.7 Å²	105.7	65%	0.645	53%	0.525	S	S	*	.	H	α-helix	trans	-64.6	-40.9	173.8	-70.8	169.6	-179.7	0	0	111.4	A450 R451 K456 Q457	A450-E454 WeakPolarHBondContact O-CG 3.3Å; A450-E454 PolarHBondContact O-N 2.62Å; R451-E454 PolarHBondContact O-N 2.98Å; R451-E454 VanDerWaalsContact O-N 3.11Å; E454-K456 PolarHBondContact O-N 2.94Å; E454-Q457 PolarHBondContact O-N 3.23Å
455	F	55.1	Low	61.5	Low	119 Å²	119	111.3 Å²	111.3	52%	0.522	55%	0.55	S	S	.	*	H	α-helix	trans	-76.8	-14.3	178	-78.1	-72.8	0	0	0	114.4	R451 Q457 V458	R451-F455 HydrophobicContact CB-CD2 4.39Å; R451-F455 WeakPolarHBondContact O-CD2 3.32Å; R451-F455 PolarHBondContact O-N 3.3Å; F455-Q457 PolarHBondContact O-N 2.93Å; F455-V458 CarbonylContact O-C 3.6Å; F455-V458 PolarHBondContact O-N 3.46Å
456	K	48.1	Very low	59.5	Low	177 Å²	177	113.2 Å²	113.2	77%	0.77	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-3.6	171	-92.9	-177	177	-174.9	0	113.7	I452 R453 E454	I452-K456 PolarHBondContact O-N 3.22Å; R453-K456 PolarHBondContact O-N 2.75Å; E454-K456 PolarHBondContact O-N 2.94Å
457	Q	49.6	Very low	57.4	Low	183 Å²	183	110.2 Å²	110.2	86%	0.855	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-5.4	165.8	-70.3	-166.9	-14.1	0	0	114.5	E454 F455	E454-Q457 PolarHBondContact O-N 3.23Å; F455-Q457 PolarHBondContact O-N 2.93Å
458	V	44.2	Very low	55.6	Low	95 Å²	95	108.9 Å²	108.9	58%	0.576	55%	0.554	S	S	*	*	S	Bend	trans	-135.9	111.1	178.2	-175.8	0	0	0	0	110	F455	F455-V458 CarbonylContact O-C 3.6Å; F455-V458 PolarHBondContact O-N 3.46Å
459	K	42.7	Very low	54.3	Low	195 Å²	195	111 Å²	111	85%	0.848	56%	0.56	S	S	*	*			trans	-82.1	145	-178.4	-84.5	-178	171.9	176.1	0	112.6
460	V	41.4	Very low	52.8	Low	140 Å²	140	114 Å²	114	85%	0.848	57%	0.568	S	S	*	*	S	Bend	trans	80.8	42.9	159.2	-149.6	0	0	0	0	119.4
461	T	47	Very low	51.3	Low	64 Å²	64	116.9 Å²	116.9	39%	0.393	58%	0.576	S	S	.	*			trans	-126	-20.8	172.3	38.1	0	0	0	0	116.1	V463 M464 E465	T461-V463 PolarHBondContact O-N 2.62Å; T461-M464 PolarHBondContact O-N 2.81Å; T461-E465 PolarHBondContact O-N 2.81Å
462	T	49	Very low	50.4	Low	90 Å²	90	119.6 Å²	119.6	55%	0.552	59%	0.587	S	S	*	*	H	α-helix	trans	-71.7	-30	-165	-31.4	0	0	0	0	115.1	T466	T462-T466 PolarHBondContact O-N 3.47Å; T462-T466 PolarHBondContact O-OG1 3.27Å
463	V	45.5	Very low	49.7	Very low	120 Å²	120	117.2 Å²	117.2	73%	0.727	58%	0.575	S	S	*	*	H	α-helix	trans	-77.2	-39.5	-179.4	-178.2	0	0	0	0	111.3	T461 V467	T461-V463 PolarHBondContact O-N 2.62Å; V463-V467 WeakPolarHBondContact O-CG2 3.25Å; V463-V467 PolarHBondContact O-N 3.34Å
464	M	37.6	Very low	49.1	Very low	165 Å²	165	112.6 Å²	112.6	81%	0.813	57%	0.571	S	S	*	*	H	α-helix	trans	-68.8	-37.7	176.6	-90.2	-171.5	166.5	0	0	112.5	T461 G468	T461-M464 PolarHBondContact O-N 2.81Å; M464-G468 PolarHBondContact O-N 3.12Å
465	E	50.2	Low	48.7	Very low	122 Å²	122	112.9 Å²	112.9	57%	0.57	58%	0.577	S	S	*	*	H	α-helix	trans	-66.3	-39	176.6	-76.6	-177.2	157.3	0	0	112.6	T461 G468 R469	T461-E465 PolarHBondContact O-N 2.81Å; E465-G468 PolarHBondContact O-N 2.91Å; E465-R469 VanDerWaalsContact O-CB 3.23Å; E465-R469 WeakPolarHBondContact O-CB 3.35Å; E465-R469 PolarHBondContact O-N 3.4Å
466	T	49.6	Very low	48.7	Very low	57 Å²	57	110.5 Å²	110.5	35%	0.35	59%	0.585	S	S	.	*	H	α-helix	trans	-67.9	-40.5	179.3	-52.7	0	0	0	0	111.5	T462 K470	T462-T466 PolarHBondContact O-N 3.47Å; T462-T466 PolarHBondContact O-OG1 3.27Å; T466-K470 PolarHBondContact O-N 2.84Å; T466-K470 VanDerWaalsContact O-N 3.13Å
467	V	47.8	Very low	49.4	Very low	84 Å²	84	108.8 Å²	108.8	51%	0.509	57%	0.574	S	S	.	*	H	α-helix	trans	-69.6	-42	175	174.3	0	0	0	0	111.1	V463 R469 K470 L471	V463-V467 WeakPolarHBondContact O-CG2 3.25Å; V463-V467 PolarHBondContact O-N 3.34Å; V467-R469 VanDerWaalsContact C-N 3.32Å; V467-R469 PolarHBondContact O-N 2.88Å; V467-K470 PolarHBondContact O-N 3.17Å; V467-L471 HydrophobicContact CG1-CD1 3.99Å; V467-L471 WeakPolarHBondContact O-CB 3.35Å; V467-L471 WeakPolarHBondContact O-CG 3.41Å; V467-L471 PolarHBondContact O-N 2.96Å
468	G	49.8	Very low	50.5	Low	20 Å²	20	106.2 Å²	106.2	21%	0.206	57%	0.571	C	S	.	*	H	α-helix	trans	-70.4	-21.7	176.3	0	0	0	0	0	114.7	M464 E465 R472	M464-G468 PolarHBondContact O-N 3.12Å; E465-G468 PolarHBondContact O-N 2.91Å; G468-R472 PolarHBondContact O-N 3.48Å; G468-R472 PolarHBondContact O-NE 3.46Å
469	R	54.7	Low	52.5	Low	72 Å²	72	103 Å²	103	27%	0.272	55%	0.551	S	S	.	*	H	α-helix	trans	-75.6	-50.9	170.8	-169.4	168.4	86.9	-158.1	1.7	110.2	E465 V467 L471 R472 D473 Q510 E513	E465-R469 VanDerWaalsContact O-CB 3.23Å; E465-R469 WeakPolarHBondContact O-CB 3.35Å; E465-R469 PolarHBondContact O-N 3.4Å; V467-R469 VanDerWaalsContact C-N 3.32Å; V467-R469 PolarHBondContact O-N 2.88Å; R469-L471 VanDerWaalsContact C-N 3.32Å; R469-L471 PolarHBondContact O-N 2.91Å; R469-R472 PolarHBondContact O-N 2.78Å; R469-D473 PolarHBondContact O-N 2.81Å; R469-Q510 VanDerWaalsContact NH2-NE2 3.16Å; R469-E513 IonicContact CZ-OE2 2.85Å; R469-E513 IonicContact NH1-OE2 2.71Å; R469-E513 IonicContact NH2-OE2 2.81Å; R469-E513 PolarHBondContact NH2-OE2 3.36Å
470	K	51.3	Low	54.7	Low	131 Å²	131	99.1 Å²	99.1	57%	0.57	54%	0.54	S	S	*	.	H	α-helix	trans	-58.3	-39.4	175.3	-75.1	-171.1	175.5	-168.1	0	113.5	T466 V467 D473 S474	T466-K470 PolarHBondContact O-N 2.84Å; T466-K470 VanDerWaalsContact O-N 3.13Å; V467-K470 PolarHBondContact O-N 3.17Å; K470-D473 PolarHBondContact O-N 3.48Å; K470-S474 PolarHBondContact O-N 2.9Å
471	L	45.9	Very low	57	Low	103 Å²	103	95 Å²	95	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-65	-40	174.6	-82.6	162.2	0	0	0	112.4	V467 R469 S474 L475	V467-L471 HydrophobicContact CG1-CD1 3.99Å; V467-L471 WeakPolarHBondContact O-CB 3.35Å; V467-L471 WeakPolarHBondContact O-CG 3.41Å; V467-L471 PolarHBondContact O-N 2.96Å; R469-L471 VanDerWaalsContact C-N 3.32Å; R469-L471 PolarHBondContact O-N 2.91Å; L471-S474 PolarHBondContact O-N 3.09Å; L471-S474 PolarHBondContact O-OG 3.27Å; L471-L475 WeakPolarHBondContact O-CG 3.37Å
472	R	53.7	Low	59.1	Low	168 Å²	168	93 Å²	93	63%	0.634	50%	0.504	S	S	*	.	H	α-helix	trans	-68	-34.4	174.4	-90.8	179.4	-84	-161.8	-6.3	112.8	G468 R469 S474 L475	G468-R472 PolarHBondContact O-N 3.48Å; G468-R472 PolarHBondContact O-NE 3.46Å; R469-R472 PolarHBondContact O-N 2.78Å; R472-S474 VanDerWaalsContact C-N 3.35Å; R472-L475 PolarHBondContact O-N 2.93Å
473	D	56.4	Low	61.2	Low	30 Å²	30	88.7 Å²	88.7	16%	0.16	48%	0.478	C	S	.	.	H	α-helix	trans	-71.3	-31.3	177.8	-61.1	-24.5	0	0	0	111.6	R469 K470 L475 Y506	R469-D473 PolarHBondContact O-N 2.81Å; K470-D473 PolarHBondContact O-N 3.48Å; D473-L475 PolarHBondContact O-N 3.35Å; D473-Y506 PolarHBondContact OD1-OH 3.45Å; D473-Y506 PolarHBondContact OD2-OH 3.02Å
474	S	52.6	Low	63.3	Low	91 Å²	91	84.5 Å²	84.5	64%	0.636	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.4	173.1	75.3	0	0	0	0	114.6	K470 L471 R472	K470-S474 PolarHBondContact O-N 2.9Å; L471-S474 PolarHBondContact O-N 3.09Å; L471-S474 PolarHBondContact O-OG 3.27Å; R472-S474 VanDerWaalsContact C-N 3.35Å
475	L	50.7	Low	65.5	Low	145 Å²	145	79.7 Å²	79.7	76%	0.759	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	18.5	-176.3	-72.5	167.1	0	0	0	113.5	L471 R472 D473	L471-L475 WeakPolarHBondContact O-CG 3.37Å; R472-L475 PolarHBondContact O-N 2.93Å; D473-L475 PolarHBondContact O-N 3.35Å
476	G	55	Low	66.8	Low	68 Å²	68	81.8 Å²	81.8	70%	0.701	46%	0.46	S	S	*	.			trans	79.7	46.9	170.5	0	0	0	0	0	114.4	T478	G476-T478 PolarHBondContact O-N 3.36Å
477	R	62.3	Low	68.2	Low	142 Å²	142	87.1 Å²	87.1	54%	0.536	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-65.1	130.2	174.8	-172.6	178.1	-176	174.9	2.2	110.9	V479	R477-V479 PolarHBondContact O-N 3.39Å
478	T	72.7	Confident	70	Confident	128 Å²	128	84.2 Å²	84.2	79%	0.785	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-74.8	116.4	163.7	46.5	0	0	0	0	109.2	G476	G476-T478 PolarHBondContact O-N 3.36Å
479	V	85.6	Confident	72.1	Confident	27 Å²	27	84.8 Å²	84.8	16%	0.164	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-76.5	125.2	171.1	178.8	0	0	0	0	107.7	R477 L481 E502 Y506	R477-V479 PolarHBondContact O-N 3.39Å; V479-L481 HydrophobicContact CG1-CD1 4.5Å; V479-L481 HydrophobicContact CG1-CG 4.08Å; V479-E502 HydrophobicContact CG1-CB 4.16Å; V479-Y506 HydrophobicContact CG1-CG 4.15Å; V479-Y506 HydrophobicContact CG2-CD1 3.85Å; V479-Y506 HydrophobicContact CG2-CG 4Å
480	D	88.9	Confident	74.1	Confident	114 Å²	114	81.8 Å²	81.8	61%	0.61	46%	0.457	S	S	*	.			trans	-132.5	112.9	172.9	177.9	4.6	0	0	0	108.1	G482 E502	D480-G482 WeakPolarHBondContact OD1-CA 3.26Å; D480-G482 PolarHBondContact OD1-N 2.95Å; D480-E502 WeakPolarHBondContact CA-OE2 3.33Å
481	L	90.3	Very high	76.3	Confident	54 Å²	54	77.8 Å²	77.8	28%	0.283	44%	0.44	S	S	.	.			trans	-107.1	12.5	176.2	-58.5	178.7	0	0	0	111.7	I48 V479 E502 T505	I48-L481 HydrophobicContact CD1-CB 4.05Å; I48-L481 HydrophobicContact CD1-CD1 3.63Å; I48-L481 HydrophobicContact CD1-CG 4.48Å; I48-L481 HydrophobicContact CG1-CD1 3.99Å; V479-L481 HydrophobicContact CG1-CD1 4.5Å; V479-L481 HydrophobicContact CG1-CG 4.08Å; L481-E502 WeakPolarHBondContact CA-OE1 3.49Å; L481-E502 HydrophobicContact CB-CB 4.26Å; L481-E502 HydrophobicContact CB-CG 3.9Å; L481-E502 HydrophobicContact CD1-CB 4.09Å; L481-E502 HydrophobicContact CD1-CG 4.42Å; L481-E502 HydrophobicContact CG-CB 4.11Å; L481-E502 HydrophobicContact CG-CG 4.31Å; L481-E502 PolarHBondContact N-OE1 3.28Å; L481-E502 VanDerWaalsContact N-OE1 3.1Å; L481-E502 PolarHBondContact N-OE2 3.36Å; L481-E502 VanDerWaalsContact N-OE2 3.13Å; L481-T505 HydrophobicContact CD1-CG2 4.22Å
482	G	90.8	Very high	78.7	Confident	21 Å²	21	77.9 Å²	77.9	22%	0.216	45%	0.447	C	S	.	.	S	Bend	trans	78.1	26.8	171.5	0	0	0	0	0	114.8	K50 D480 E502	K50-G482 PolarHBondContact NZ-O 3.17Å; D480-G482 WeakPolarHBondContact OD1-CA 3.26Å; D480-G482 PolarHBondContact OD1-N 2.95Å; G482-E502 PolarHBondContact N-OE1 2.97Å
483	L	92.8	Very high	80.8	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	43%	0.433	C	S	.	.	S	Bend	trans	-81.3	-28.7	170.3	-67.9	-172.7	0	0	0	113	I48 K50 F54 G488 V489 V490 A498 F501 E502	I48-L483 HydrophobicContact CD1-CD1 3.93Å; I48-L483 HydrophobicContact CD1-CG 4.31Å; I48-L483 HydrophobicContact CG2-CD2 4.06Å; K50-L483 HydrophobicContact CB-CD2 4.08Å; F54-L483 HydrophobicContact CD2-CD2 4.49Å; F54-L483 HydrophobicContact CE2-CD2 4Å; F54-L483 HydrophobicContact CZ-CD2 4.47Å; L483-G488 CarbonylContact O-C 3.37Å; L483-G488 WeakPolarHBondContact O-CA 3.16Å; L483-V489 HydrophobicContact CD2-CG2 3.62Å; L483-V489 PolarHBondContact O-N 3.36Å; L483-V490 HydrophobicContact CB-CG2 3.98Å; L483-V490 HydrophobicContact CD1-CG2 4.4Å; L483-V490 HydrophobicContact CD2-CG2 4.45Å; L483-V490 PolarHBondContact O-N 2.9Å; L483-A498 HydrophobicContact CB-CB 4.3Å; L483-F501 HydrophobicContact CD1-CD1 3.4Å; L483-F501 HydrophobicContact CD1-CE1 3.71Å; L483-E502 HydrophobicContact CB-CG 4.34Å; L483-E502 WeakPolarHBondContact CB-OE1 3.19Å; L483-E502 HydrophobicContact CD1-CG 3.88Å; L483-E502 HydrophobicContact CG-CG 4.09Å; L483-E502 WeakPolarHBondContact CG-OE1 3.3Å; L483-E502 PolarHBondContact N-OE1 3.38Å
484	T	90.3	Very high	82.8	Confident	33 Å²	33	70.8 Å²	70.8	20%	0.202	43%	0.425	C	S	.	.	S	Bend	trans	-111.7	-175.4	-179.5	65.5	0	0	0	0	110.9	G488 A495 A498 N499	T484-G488 VanDerWaalsContact O-CA 3.28Å; T484-G488 WeakPolarHBondContact O-CA 3.48Å; T484-G488 PolarHBondContact O-N 3.46Å; T484-A495 HydrophobicContact CG2-CB 4.25Å; T484-A498 HydrophobicContact CG2-CB 3.53Å; T484-N499 PolarHBondContact OG1-OD1 3.45Å
485	G	84.6	Confident	84.9	Confident	63 Å²	63	68 Å²	68	65%	0.649	41%	0.409	S	S	*	.	S	Bend	trans	79.6	-172.7	-177.4	0	0	0	0	0	115.2	H487 G488	G485-H487 PolarHBondContact O-N 3.14Å; G485-G488 PolarHBondContact O-N 3.37Å
486	N	76.5	Confident	87.1	Confident	166 Å²	166	65.3 Å²	65.3	89%	0.888	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.3	-172.3	-68.3	-14.7	0	0	0	114.6
487	H	80.1	Confident	89.1	Confident	170 Å²	170	62.1 Å²	62.1	79%	0.787	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	20.7	176.6	-56.3	-53.7	0	0	0	112.2	K50 G485	K50-H487 PolarHBondContact NZ-O 3.06Å; G485-H487 PolarHBondContact O-N 3.14Å
488	G	85.3	Confident	90.8	Very high	22 Å²	22	55.3 Å²	55.3	23%	0.227	34%	0.336	C	S	.	.			trans	-68.6	147.5	176.9	0	0	0	0	0	112.2	L483 T484 G485	L483-G488 CarbonylContact O-C 3.37Å; L483-G488 WeakPolarHBondContact O-CA 3.16Å; T484-G488 VanDerWaalsContact O-CA 3.28Å; T484-G488 WeakPolarHBondContact O-CA 3.48Å; T484-G488 PolarHBondContact O-N 3.46Å; G485-G488 PolarHBondContact O-N 3.37Å
489	V	94.3	Very high	92	Very high	32 Å²	32	52.3 Å²	52.3	19%	0.194	32%	0.315	C	S	.	.	S	Bend	trans	-97.4	-12.7	177.1	-65.1	0	0	0	0	112.6	K50 F54 L483 R555	K50-V489 HydrophobicContact CB-CG2 3.99Å; K50-V489 HydrophobicContact CD-CG1 3.86Å; K50-V489 HydrophobicContact CD-CG2 4.06Å; K50-V489 HydrophobicContact CG-CG1 4.41Å; F54-V489 HydrophobicContact CB-CB 3.86Å; F54-V489 HydrophobicContact CB-CG1 4.42Å; F54-V489 HydrophobicContact CB-CG2 3.87Å; F54-V489 HydrophobicContact CD1-CB 4.31Å; F54-V489 HydrophobicContact CD1-CG2 3.94Å; F54-V489 HydrophobicContact CD2-CG2 3.68Å; F54-V489 HydrophobicContact CE1-CG2 4.38Å; F54-V489 HydrophobicContact CE2-CG2 4.21Å; F54-V489 HydrophobicContact CG-CB 4.03Å; F54-V489 HydrophobicContact CG-CG2 3.57Å; L483-V489 HydrophobicContact CD2-CG2 3.62Å; L483-V489 PolarHBondContact O-N 3.36Å; V489-R555 PolarHBondContact O-NH1 3.07Å; V489-R555 PolarHBondContact O-NH2 3.48Å
490	V	97.1	Very high	92.6	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	31%	0.314	C	S	.	.	S	Bend	trans	-90.7	145.3	176.7	177	0	0	0	0	110.3	F54 L483 L494 A498 L547 S551 R555	F54-V490 HydrophobicContact CE1-CG2 3.72Å; F54-V490 HydrophobicContact CZ-CG2 3.9Å; L483-V490 HydrophobicContact CB-CG2 3.98Å; L483-V490 HydrophobicContact CD1-CG2 4.4Å; L483-V490 HydrophobicContact CD2-CG2 4.45Å; L483-V490 PolarHBondContact O-N 2.9Å; V490-L494 HydrophobicContact CG1-CB 3.58Å; V490-L494 HydrophobicContact CG1-CD1 4.4Å; V490-A498 HydrophobicContact CB-CB 4.21Å; V490-A498 HydrophobicContact CG1-CB 3.99Å; V490-A498 HydrophobicContact CG2-CB 4.17Å; V490-L547 HydrophobicContact CG1-CD2 4.33Å; V490-S551 WeakPolarHBondContact CA-OG 3.36Å; V490-S551 WeakPolarHBondContact CG1-OG 3.25Å; V490-R555 PolarHBondContact O-NH2 2.96Å
491	H	97.1	Very high	93	Very high	47 Å²	47	47.1 Å²	47.1	22%	0.218	29%	0.285	C	S	.	.			trans	-69.5	143.3	176.8	-173.5	-94.6	0	0	0	111.7	S493 L494 S551 I554	H491-S493 PolarHBondContact ND1-N 3.39Å; H491-S493 PolarHBondContact ND1-OG 2.87Å; H491-S493 PolarHBondContact O-N 2.91Å; H491-S493 VanDerWaalsContact O-N 3.1Å; H491-L494 PolarHBondContact O-N 2.92Å; H491-S551 PolarHBondContact N-OG 3.47Å; H491-I554 HydrophobicContact CB-CG2 3.64Å; H491-I554 VanDerWaalsContact CE1-CD1 3.41Å; H491-I554 WeakPolarHBondContact CE1-CD1 3.42Å
492	P	96.3	Very high	93.3	Very high	105 Å²	105	44.6 Å²	44.6	68%	0.682	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-55	-30.4	-177.1	-30.1	36.9	0	0	0	115.9	L494 A495	P492-L494 PolarHBondContact O-N 3.21Å; P492-L494 VanDerWaalsContact O-N 3.13Å; P492-A495 VanDerWaalsContact O-CB 3.26Å; P492-A495 WeakPolarHBondContact O-CB 3.41Å; P492-A495 PolarHBondContact O-N 3.39Å; P492-A495 VanDerWaalsContact O-N 3.13Å
493	S	97	Very high	93.6	Very high	49 Å²	49	46.1 Å²	46.1	34%	0.343	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65	-11.7	175.8	64.2	0	0	0	0	114.6	H491 N569	H491-S493 PolarHBondContact ND1-N 3.39Å; H491-S493 PolarHBondContact ND1-OG 2.87Å; H491-S493 PolarHBondContact O-N 2.91Å; H491-S493 VanDerWaalsContact O-N 3.1Å; S493-N569 PolarHBondContact O-ND2 3.05Å
494	L	98.1	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-114.2	11.3	179.1	-65.5	162.4	0	0	0	111.6	V490 H491 P492 D496 S497 A498 L547 A550 S551 V565 A568 N569	V490-L494 HydrophobicContact CG1-CB 3.58Å; V490-L494 HydrophobicContact CG1-CD1 4.4Å; H491-L494 PolarHBondContact O-N 2.92Å; P492-L494 PolarHBondContact O-N 3.21Å; P492-L494 VanDerWaalsContact O-N 3.13Å; L494-D496 PolarHBondContact O-N 3.34Å; L494-S497 PolarHBondContact O-N 2.85Å; L494-A498 PolarHBondContact O-N 3.28Å; L494-L547 HydrophobicContact CB-CD2 3.97Å; L494-L547 HydrophobicContact CD2-CD2 4.39Å; L494-A550 HydrophobicContact CD1-CB 3.7Å; L494-A550 HydrophobicContact CD2-CB 4.41Å; L494-S551 WeakPolarHBondContact CD1-OG 3.47Å; L494-V565 HydrophobicContact CD2-CB 4.49Å; L494-V565 HydrophobicContact CD2-CG1 4.03Å; L494-V565 HydrophobicContact CG-CG1 4.4Å; L494-A568 HydrophobicContact CD2-CB 3.87Å; L494-N569 WeakPolarHBondContact CD2-OD1 3.45Å
495	A	97	Very high	94.2	Very high	34 Å²	34	44.5 Å²	44.5	28%	0.281	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-42.4	-171.9	0	0	0	0	0	113.3	T484 P492 A498 N499	T484-A495 HydrophobicContact CG2-CB 4.25Å; P492-A495 VanDerWaalsContact O-CB 3.26Å; P492-A495 WeakPolarHBondContact O-CB 3.41Å; P492-A495 PolarHBondContact O-N 3.39Å; P492-A495 VanDerWaalsContact O-N 3.13Å; A495-A498 WeakPolarHBondContact O-CB 3.37Å; A495-A498 PolarHBondContact O-N 2.97Å; A495-N499 PolarHBondContact O-N 3.39Å; A495-N499 PolarHBondContact O-ND2 3.39Å; A495-N499 PolarHBondContact O-OD1 2.98Å
496	D	96.8	Very high	94.8	Very high	87 Å²	87	42.9 Å²	42.9	47%	0.465	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-46.4	177.2	179.1	53.8	0	0	0	111.5	L494 A498 N499 K500	L494-D496 PolarHBondContact O-N 3.34Å; D496-A498 VanDerWaalsContact C-N 3.3Å; D496-A498 PolarHBondContact O-N 2.89Å; D496-N499 PolarHBondContact O-N 3.35Å; D496-N499 VanDerWaalsContact O-N 3.16Å; D496-K500 VanDerWaalsContact CG-NZ 3.27Å; D496-K500 WeakPolarHBondContact O-CG 3.29Å; D496-K500 PolarHBondContact O-N 2.78Å; D496-K500 IonicContact OD1-NZ 3.21Å; D496-K500 PolarHBondContact OD1-NZ 3.36Å; D496-K500 WeakPolarHBondContact OD2-CE 3.49Å; D496-K500 IonicContact OD2-NZ 3.04Å; D496-K500 PolarHBondContact OD2-NZ 3.37Å
497	S	98.4	Very high	95.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-35.3	176	-68.6	0	0	0	0	113.1	L494 F501 N569	L494-S497 PolarHBondContact O-N 2.85Å; S497-F501 PolarHBondContact O-N 3.49Å; S497-N569 WeakPolarHBondContact CB-OD1 3.49Å; S497-N569 WeakPolarHBondContact OG-CA 3.15Å; S497-N569 PolarHBondContact OG-OD1 3.48Å
498	A	98	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-46.5	172.3	0	0	0	0	0	111.4	L483 T484 V490 L494 A495 D496 K500 F501 E502	L483-A498 HydrophobicContact CB-CB 4.3Å; T484-A498 HydrophobicContact CG2-CB 3.53Å; V490-A498 HydrophobicContact CB-CB 4.21Å; V490-A498 HydrophobicContact CG1-CB 3.99Å; V490-A498 HydrophobicContact CG2-CB 4.17Å; L494-A498 PolarHBondContact O-N 3.28Å; A495-A498 WeakPolarHBondContact O-CB 3.37Å; A495-A498 PolarHBondContact O-N 2.97Å; D496-A498 VanDerWaalsContact C-N 3.3Å; D496-A498 PolarHBondContact O-N 2.89Å; A498-K500 VanDerWaalsContact C-N 3.31Å; A498-K500 PolarHBondContact O-N 3.33Å; A498-F501 WeakPolarHBondContact O-CB 3.25Å; A498-F501 PolarHBondContact O-N 3.38Å; A498-F501 VanDerWaalsContact O-N 3.1Å; A498-E502 WeakPolarHBondContact O-CG 3.3Å; A498-E502 PolarHBondContact O-N 3.07Å
499	N	96.6	Very high	97.1	Very high	65 Å²	65	29.6 Å²	29.6	35%	0.348	16%	0.164	S	C	.	.	H	α-helix	trans	-60.4	-41.6	178.3	-64.3	-17.1	0	0	0	111.4	T484 A495 D496 F501 E502 E503	T484-N499 PolarHBondContact OG1-OD1 3.45Å; A495-N499 PolarHBondContact O-N 3.39Å; A495-N499 PolarHBondContact O-ND2 3.39Å; A495-N499 PolarHBondContact O-OD1 2.98Å; D496-N499 PolarHBondContact O-N 3.35Å; D496-N499 VanDerWaalsContact O-N 3.16Å; N499-F501 VanDerWaalsContact C-N 3.34Å; N499-F501 PolarHBondContact O-N 3.08Å; N499-E502 PolarHBondContact O-N 3.35Å; N499-E503 WeakPolarHBondContact O-CB 3.2Å; N499-E503 PolarHBondContact O-N 3.41Å
500	K	97.9	Very high	97	Very high	32 Å²	32	29.9 Å²	29.9	14%	0.139	16%	0.163	C	C	.	.	H	α-helix	trans	-59.7	-42.8	173.5	-70.3	-172.7	-163	-17.1	0	112.4	D496 A498 N504 M543 V573 Y576	D496-K500 VanDerWaalsContact CG-NZ 3.27Å; D496-K500 WeakPolarHBondContact O-CG 3.29Å; D496-K500 PolarHBondContact O-N 2.78Å; D496-K500 IonicContact OD1-NZ 3.21Å; D496-K500 PolarHBondContact OD1-NZ 3.36Å; D496-K500 WeakPolarHBondContact OD2-CE 3.49Å; D496-K500 IonicContact OD2-NZ 3.04Å; D496-K500 PolarHBondContact OD2-NZ 3.37Å; A498-K500 VanDerWaalsContact C-N 3.31Å; A498-K500 PolarHBondContact O-N 3.33Å; K500-N504 WeakPolarHBondContact O-CB 3.2Å; K500-N504 PolarHBondContact O-N 3.18Å; K500-M543 HydrophobicContact CB-CE 4.31Å; K500-V573 HydrophobicContact CD-CG2 4.29Å; K500-Y576 HydrophobicContact CB-CD2 3.46Å; K500-Y576 VanDerWaalsContact CB-CD2 3.46Å; K500-Y576 HydrophobicContact CB-CE2 3.98Å; K500-Y576 HydrophobicContact CB-CG 3.86Å; K500-Y576 HydrophobicContact CD-CD1 3.99Å; K500-Y576 HydrophobicContact CD-CD2 4.23Å; K500-Y576 HydrophobicContact CD-CG 3.82Å; K500-Y576 HydrophobicContact CG-CD1 4.35Å; K500-Y576 HydrophobicContact CG-CD2 3.84Å; K500-Y576 HydrophobicContact CG-CE2 4.07Å; K500-Y576 HydrophobicContact CG-CG 3.97Å; K500-Y576 WeakPolarHBondContact O-CD2 3.43Å
501	F	98.3	Very high	97	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-42.2	176	171.8	-129.3	0	0	0	112.1	L43 I48 L483 S497 A498 N499 T505 L540 M543 T544 L547	L43-F501 HydrophobicContact CD2-CE2 4.5Å; L43-F501 HydrophobicContact CD2-CZ 4.19Å; I48-F501 HydrophobicContact CD1-CD1 3.96Å; I48-F501 HydrophobicContact CD1-CE1 3.51Å; I48-F501 HydrophobicContact CD1-CZ 3.91Å; I48-F501 HydrophobicContact CG1-CE1 4.1Å; I48-F501 HydrophobicContact CG1-CZ 4.11Å; I48-F501 HydrophobicContact CG2-CE1 4.15Å; L483-F501 HydrophobicContact CD1-CD1 3.4Å; L483-F501 HydrophobicContact CD1-CE1 3.71Å; S497-F501 PolarHBondContact O-N 3.49Å; A498-F501 WeakPolarHBondContact O-CB 3.25Å; A498-F501 PolarHBondContact O-N 3.38Å; A498-F501 VanDerWaalsContact O-N 3.1Å; N499-F501 VanDerWaalsContact C-N 3.34Å; N499-F501 PolarHBondContact O-N 3.08Å; F501-T505 VanDerWaalsContact CE2-OG1 3.25Å; F501-T505 WeakPolarHBondContact CE2-OG1 3.28Å; F501-T505 WeakPolarHBondContact O-CB 3.5Å; F501-T505 PolarHBondContact O-N 3.12Å; F501-T505 PolarHBondContact O-OG1 3.44Å; F501-L540 HydrophobicContact CD2-CD2 3.8Å; F501-L540 HydrophobicContact CE2-CB 4.15Å; F501-L540 HydrophobicContact CE2-CD2 3.86Å; F501-L540 WeakPolarHBondContact CE2-O 3.45Å; F501-M543 HydrophobicContact CB-CB 4.36Å; F501-M543 HydrophobicContact CB-CE 3.73Å; F501-M543 HydrophobicContact CB-SD 4.34Å; F501-M543 HydrophobicContact CD2-CB 3.84Å; F501-M543 HydrophobicContact CD2-SD 4.11Å; F501-M543 HydrophobicContact CE2-CB 4.48Å; F501-M543 HydrophobicContact CG-CB 4.19Å; F501-T544 WeakPolarHBondContact CZ-OG1 3.44Å; F501-L547 HydrophobicContact CB-CD1 3.85Å; F501-L547 HydrophobicContact CD1-CD1 3.83Å; F501-L547 HydrophobicContact CG-CD1 4.07Å
502	E	97.1	Very high	96.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-45.5	177	-66.6	-171.5	148.5	0	0	111.8	I48 V479 D480 L481 G482 L483 A498 N499 T505 Y506	I48-E502 HydrophobicContact CD1-CG 4.02Å; V479-E502 HydrophobicContact CG1-CB 4.16Å; D480-E502 WeakPolarHBondContact CA-OE2 3.33Å; L481-E502 WeakPolarHBondContact CA-OE1 3.49Å; L481-E502 HydrophobicContact CB-CB 4.26Å; L481-E502 HydrophobicContact CB-CG 3.9Å; L481-E502 HydrophobicContact CD1-CB 4.09Å; L481-E502 HydrophobicContact CD1-CG 4.42Å; L481-E502 HydrophobicContact CG-CB 4.11Å; L481-E502 HydrophobicContact CG-CG 4.31Å; L481-E502 PolarHBondContact N-OE1 3.28Å; L481-E502 VanDerWaalsContact N-OE1 3.1Å; L481-E502 PolarHBondContact N-OE2 3.36Å; L481-E502 VanDerWaalsContact N-OE2 3.13Å; G482-E502 PolarHBondContact N-OE1 2.97Å; L483-E502 HydrophobicContact CB-CG 4.34Å; L483-E502 WeakPolarHBondContact CB-OE1 3.19Å; L483-E502 HydrophobicContact CD1-CG 3.88Å; L483-E502 HydrophobicContact CG-CG 4.09Å; L483-E502 WeakPolarHBondContact CG-OE1 3.3Å; L483-E502 PolarHBondContact N-OE1 3.38Å; A498-E502 WeakPolarHBondContact O-CG 3.3Å; A498-E502 PolarHBondContact O-N 3.07Å; N499-E502 PolarHBondContact O-N 3.35Å; E502-T505 PolarHBondContact O-N 3.09Å; E502-Y506 WeakPolarHBondContact O-CB 3.3Å; E502-Y506 PolarHBondContact O-N 3.5Å
503	E	96.5	Very high	96.7	Very high	52 Å²	52	25.8 Å²	25.8	24%	0.243	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-49.9	177.9	-175.9	179.9	-171.2	0	0	112	N499 T505 Y506 Y507 Y576	N499-E503 WeakPolarHBondContact O-CB 3.2Å; N499-E503 PolarHBondContact O-N 3.41Å; E503-T505 VanDerWaalsContact C-N 3.32Å; E503-T505 PolarHBondContact O-N 3.4Å; E503-Y506 PolarHBondContact O-N 2.86Å; E503-Y507 HydrophobicContact CG-CD2 3.69Å; E503-Y507 HydrophobicContact CG-CE2 3.31Å; E503-Y507 VanDerWaalsContact O-CD2 3.26Å; E503-Y507 WeakPolarHBondContact O-CD2 3.47Å; E503-Y507 PolarHBondContact O-N 2.85Å; E503-Y507 WeakPolarHBondContact OE1-CE2 3.36Å; E503-Y576 HydrophobicContact CB-CE2 4.32Å; E503-Y576 HydrophobicContact CG-CE2 4.31Å; E503-Y576 PolarHBondContact OE1-OH 2.98Å; E503-Y576 WeakPolarHBondContact OE2-CE2 3.31Å; E503-Y576 VanDerWaalsContact OE2-CZ 3.27Å; E503-Y576 PolarHBondContact OE2-OH 3Å
504	N	97.3	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-42.9	174.6	-88.6	-165.5	0	0	0	112.3	K500 Y506 Y507 F508 L540 Y576 N579	K500-N504 WeakPolarHBondContact O-CB 3.2Å; K500-N504 PolarHBondContact O-N 3.18Å; N504-Y506 VanDerWaalsContact C-N 3.33Å; N504-Y506 PolarHBondContact O-N 3.29Å; N504-Y507 PolarHBondContact O-N 3.35Å; N504-F508 WeakPolarHBondContact O-CB 3.35Å; N504-F508 PolarHBondContact O-N 3.43Å; N504-L540 HydrophobicContact CB-CD2 3.65Å; N504-Y576 WeakPolarHBondContact ND2-CD2 3.21Å; N504-Y576 WeakPolarHBondContact ND2-CE2 3.11Å; N504-Y576 WeakPolarHBondContact OD1-CA 3.43Å; N504-N579 WeakPolarHBondContact OD1-CB 3.41Å; N504-N579 PolarHBondContact OD1-ND2 3.46Å
505	T	98.1	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-43.1	178.9	-61.3	0	0	0	0	110.9	L43 G46 I48 L481 F501 E502 E503 F508 G509	L43-T505 HydrophobicContact CD2-CG2 3.74Å; G46-T505 WeakPolarHBondContact CA-O 3.49Å; I48-T505 HydrophobicContact CD1-CG2 4.32Å; I48-T505 HydrophobicContact CG1-CG2 3.84Å; L481-T505 HydrophobicContact CD1-CG2 4.22Å; F501-T505 VanDerWaalsContact CE2-OG1 3.25Å; F501-T505 WeakPolarHBondContact CE2-OG1 3.28Å; F501-T505 WeakPolarHBondContact O-CB 3.5Å; F501-T505 PolarHBondContact O-N 3.12Å; F501-T505 PolarHBondContact O-OG1 3.44Å; E502-T505 PolarHBondContact O-N 3.09Å; E503-T505 VanDerWaalsContact C-N 3.32Å; E503-T505 PolarHBondContact O-N 3.4Å; T505-F508 PolarHBondContact O-N 3.24Å; T505-G509 PolarHBondContact O-N 3.35Å
506	Y	96.2	Very high	96.2	Very high	29 Å²	29	25.8 Å²	25.8	11%	0.114	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-55.4	176.8	177.4	-101.4	0	0	0	111.5	D473 V479 E502 E503 N504 F508 G509 Q510	D473-Y506 PolarHBondContact OD1-OH 3.45Å; D473-Y506 PolarHBondContact OD2-OH 3.02Å; V479-Y506 HydrophobicContact CG1-CG 4.15Å; V479-Y506 HydrophobicContact CG2-CD1 3.85Å; V479-Y506 HydrophobicContact CG2-CG 4Å; E502-Y506 WeakPolarHBondContact O-CB 3.3Å; E502-Y506 PolarHBondContact O-N 3.5Å; E503-Y506 PolarHBondContact O-N 2.86Å; N504-Y506 VanDerWaalsContact C-N 3.33Å; N504-Y506 PolarHBondContact O-N 3.29Å; Y506-F508 VanDerWaalsContact C-N 3.3Å; Y506-F508 PolarHBondContact O-N 3Å; Y506-G509 PolarHBondContact O-N 3.01Å; Y506-Q510 HydrophobicContact CD1-CG 4.33Å; Y506-Q510 HydrophobicContact CE1-CG 3.96Å; Y506-Q510 HydrophobicContact CE2-CG 4.49Å; Y506-Q510 WeakPolarHBondContact O-CG 3.46Å; Y506-Q510 PolarHBondContact O-N 3.11Å; Y506-Q510 VanDerWaalsContact O-N 3.08Å
507	Y	96.1	Very high	95.9	Very high	71 Å²	71	27.3 Å²	27.3	28%	0.278	14%	0.137	S	C	.	.	H	α-helix	trans	-65.5	-32.3	-179.1	-67.9	-49.7	0	0	0	113.2	E503 N504 Q510 T511 L580	E503-Y507 HydrophobicContact CG-CD2 3.69Å; E503-Y507 HydrophobicContact CG-CE2 3.31Å; E503-Y507 VanDerWaalsContact O-CD2 3.26Å; E503-Y507 WeakPolarHBondContact O-CD2 3.47Å; E503-Y507 PolarHBondContact O-N 2.85Å; E503-Y507 WeakPolarHBondContact OE1-CE2 3.36Å; N504-Y507 PolarHBondContact O-N 3.35Å; Y507-Q510 PolarHBondContact O-N 3.47Å; Y507-T511 WeakPolarHBondContact O-CB 3.44Å; Y507-T511 PolarHBondContact O-N 2.97Å; Y507-T511 PolarHBondContact O-OG1 3.27Å; Y507-L580 HydrophobicContact CD2-CD2 4.48Å
508	F	97.9	Very high	95.6	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-47.6	172	179.5	-113.4	0	0	0	111.6	L43 F44 N504 T505 Y506 Q510 T511 V512 V533 I536 L537 L540 L583	L43-F508 WeakPolarHBondContact O-CD1 3.4Å; F44-F508 HydrophobicContact CB-CE1 4.47Å; F44-F508 HydrophobicContact CD1-CE1 4.02Å; F44-F508 AromaticContact CD1-CZ 3.93Å; F44-F508 HydrophobicContact CD1-CZ 3.93Å; F44-F508 HydrophobicContact CD2-CE1 4.18Å; F44-F508 HydrophobicContact CE1-CE1 4.26Å; F44-F508 AromaticContact CE1-CZ 3.79Å; F44-F508 HydrophobicContact CE1-CZ 3.79Å; F44-F508 HydrophobicContact CE2-CE1 4.42Å; F44-F508 HydrophobicContact CE2-CZ 4.45Å; F44-F508 AromaticContact CG-CE1 3.96Å; F44-F508 HydrophobicContact CG-CE1 3.96Å; F44-F508 HydrophobicContact CG-CZ 4.32Å; F44-F508 HydrophobicContact CZ-CE1 4.45Å; F44-F508 HydrophobicContact CZ-CZ 4.06Å; N504-F508 WeakPolarHBondContact O-CB 3.35Å; N504-F508 PolarHBondContact O-N 3.43Å; T505-F508 PolarHBondContact O-N 3.24Å; Y506-F508 VanDerWaalsContact C-N 3.3Å; Y506-F508 PolarHBondContact O-N 3Å; F508-Q510 VanDerWaalsContact C-N 3.34Å; F508-Q510 PolarHBondContact O-N 2.94Å; F508-T511 PolarHBondContact O-N 3.47Å; F508-V512 HydrophobicContact CD1-CG2 4.41Å; F508-V512 HydrophobicContact CD2-CG2 4.38Å; F508-V512 HydrophobicContact CE1-CG2 4.06Å; F508-V512 HydrophobicContact CE2-CG2 4.05Å; F508-V512 HydrophobicContact CZ-CG2 3.88Å; F508-V512 WeakPolarHBondContact O-CG2 3.4Å; F508-V512 PolarHBondContact O-N 3.41Å; F508-V533 HydrophobicContact CE2-CG1 3.98Å; F508-V533 HydrophobicContact CZ-CG1 3.99Å; F508-I536 HydrophobicContact CB-CG2 4.24Å; F508-I536 HydrophobicContact CD2-CB 4.04Å; F508-I536 HydrophobicContact CD2-CD1 4.36Å; F508-I536 HydrophobicContact CD2-CG2 3.42Å; F508-I536 VanDerWaalsContact CD2-CG2 3.42Å; F508-I536 HydrophobicContact CE2-CB 4.08Å; F508-I536 HydrophobicContact CE2-CG2 3.92Å; F508-I536 HydrophobicContact CG-CG2 3.95Å; F508-L537 HydrophobicContact CE1-CD1 3.81Å; F508-L537 HydrophobicContact CZ-CB 4.31Å; F508-L537 HydrophobicContact CZ-CD1 4.24Å; F508-L540 HydrophobicContact CB-CD1 4.03Å; F508-L540 HydrophobicContact CD1-CD1 3.73Å; F508-L540 HydrophobicContact CE1-CD1 4.37Å; F508-L540 HydrophobicContact CG-CD1 3.91Å; F508-L583 HydrophobicContact CB-CD2 4.49Å; F508-L583 HydrophobicContact CD2-CD2 4.41Å
509	G	96.3	Very high	95.3	Very high	7 Å²	7	32.7 Å²	32.7	7%	0.072	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-40.2	175.9	0	0	0	0	0	113.4	T505 Y506 V512 E513	T505-G509 PolarHBondContact O-N 3.35Å; Y506-G509 PolarHBondContact O-N 3.01Å; G509-V512 PolarHBondContact O-N 3.01Å; G509-E513 PolarHBondContact O-N 3.31Å; G509-E513 VanDerWaalsContact O-N 3.11Å
510	Q	93.8	Very high	95.1	Very high	37 Å²	37	31.3 Å²	31.3	17%	0.173	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-43.6	174	-65.2	-62	-60.3	0	0	112.3	R469 Y506 Y507 F508 E513 T514	R469-Q510 VanDerWaalsContact NH2-NE2 3.16Å; Y506-Q510 HydrophobicContact CD1-CG 4.33Å; Y506-Q510 HydrophobicContact CE1-CG 3.96Å; Y506-Q510 HydrophobicContact CE2-CG 4.49Å; Y506-Q510 WeakPolarHBondContact O-CG 3.46Å; Y506-Q510 PolarHBondContact O-N 3.11Å; Y506-Q510 VanDerWaalsContact O-N 3.08Å; Y507-Q510 PolarHBondContact O-N 3.47Å; F508-Q510 VanDerWaalsContact C-N 3.34Å; F508-Q510 PolarHBondContact O-N 2.94Å; Q510-E513 PolarHBondContact O-N 2.94Å; Q510-T514 PolarHBondContact O-N 3.45Å; Q510-T514 VanDerWaalsContact O-N 3.09Å; Q510-T514 PolarHBondContact O-OG1 3.25Å
511	T	95.4	Very high	94.7	Very high	21 Å²	21	39 Å²	39	13%	0.129	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-43.4	179.8	-58.4	0	0	0	0	110.3	Y507 F508 E513 T514 L515 L583 L586	Y507-T511 WeakPolarHBondContact O-CB 3.44Å; Y507-T511 PolarHBondContact O-N 2.97Å; Y507-T511 PolarHBondContact O-OG1 3.27Å; F508-T511 PolarHBondContact O-N 3.47Å; T511-E513 VanDerWaalsContact C-N 3.35Å; T511-E513 PolarHBondContact O-N 3.22Å; T511-T514 CarbonylContact O-C 3.56Å; T511-T514 WeakPolarHBondContact O-CB 3.46Å; T511-T514 PolarHBondContact O-N 2.93Å; T511-T514 VanDerWaalsContact O-N 3.12Å; T511-L515 HydrophobicContact CG2-CD1 4.12Å; T511-L515 HydrophobicContact CG2-CG 4.21Å; T511-L515 VanDerWaalsContact O-CG 3.25Å; T511-L515 WeakPolarHBondContact O-CG 3.47Å; T511-L515 PolarHBondContact O-N 3.45Å; T511-L583 HydrophobicContact CG2-CD2 4.16Å; T511-L583 WeakPolarHBondContact OG1-CD2 3.41Å; T511-L586 HydrophobicContact CG2-CB 3.85Å; T511-L586 HydrophobicContact CG2-CD1 3.84Å; T511-L586 HydrophobicContact CG2-CG 4.49Å
512	V	96.3	Very high	94.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-55.9	-47.1	174.6	163.2	0	0	0	0	111.8	F44 L441 A444 F508 G509 T514 L515 L516	F44-V512 HydrophobicContact CB-CG1 4.32Å; F44-V512 HydrophobicContact CB-CG2 4.49Å; F44-V512 HydrophobicContact CD1-CG1 4.16Å; F44-V512 HydrophobicContact CD1-CG2 3.64Å; F44-V512 HydrophobicContact CE1-CG2 4.34Å; F44-V512 HydrophobicContact CG-CG2 4.43Å; F44-V512 WeakPolarHBondContact O-CG1 3.47Å; L441-V512 HydrophobicContact CD2-CG1 3.92Å; L441-V512 HydrophobicContact CD2-CG2 4.41Å; A444-V512 HydrophobicContact CB-CG1 3.84Å; F508-V512 HydrophobicContact CD1-CG2 4.41Å; F508-V512 HydrophobicContact CD2-CG2 4.38Å; F508-V512 HydrophobicContact CE1-CG2 4.06Å; F508-V512 HydrophobicContact CE2-CG2 4.05Å; F508-V512 HydrophobicContact CZ-CG2 3.88Å; F508-V512 WeakPolarHBondContact O-CG2 3.4Å; F508-V512 PolarHBondContact O-N 3.41Å; G509-V512 PolarHBondContact O-N 3.01Å; V512-T514 VanDerWaalsContact C-N 3.32Å; V512-T514 PolarHBondContact O-N 3.28Å; V512-L515 PolarHBondContact O-N 3.01Å; V512-L516 HydrophobicContact CG1-CD1 3.99Å; V512-L516 WeakPolarHBondContact O-CG 3.43Å; V512-L516 PolarHBondContact O-N 3.42Å
513	E	92.6	Very high	94.5	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-45.5	176	-176.5	173.7	-159.8	0	0	111.1	L448 R469 G509 Q510 T511 L515 L516 L517	L448-E513 HydrophobicContact CD1-CG 4.42Å; L448-E513 HydrophobicContact CD2-CG 4.32Å; R469-E513 IonicContact CZ-OE2 2.85Å; R469-E513 IonicContact NH1-OE2 2.71Å; R469-E513 IonicContact NH2-OE2 2.81Å; R469-E513 PolarHBondContact NH2-OE2 3.36Å; G509-E513 PolarHBondContact O-N 3.31Å; G509-E513 VanDerWaalsContact O-N 3.11Å; Q510-E513 PolarHBondContact O-N 2.94Å; T511-E513 VanDerWaalsContact C-N 3.35Å; T511-E513 PolarHBondContact O-N 3.22Å; E513-L515 PolarHBondContact O-N 3.27Å; E513-L516 PolarHBondContact O-N 3.04Å; E513-L517 HydrophobicContact CG-CD1 4.16Å; E513-L517 WeakPolarHBondContact O-CB 3.3Å; E513-L517 VanDerWaalsContact O-CG 3.3Å; E513-L517 WeakPolarHBondContact O-CG 3.31Å; E513-L517 PolarHBondContact O-N 2.75Å
514	T	93.3	Very high	94.3	Very high	55 Å²	55	46.3 Å²	46.3	34%	0.337	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-42.3	177.7	-59	0	0	0	0	112.1	Q510 T511 V512 L517 R518	Q510-T514 PolarHBondContact O-N 3.45Å; Q510-T514 VanDerWaalsContact O-N 3.09Å; Q510-T514 PolarHBondContact O-OG1 3.25Å; T511-T514 CarbonylContact O-C 3.56Å; T511-T514 WeakPolarHBondContact O-CB 3.46Å; T511-T514 PolarHBondContact O-N 2.93Å; T511-T514 VanDerWaalsContact O-N 3.12Å; V512-T514 VanDerWaalsContact C-N 3.32Å; V512-T514 PolarHBondContact O-N 3.28Å; T514-L517 PolarHBondContact O-N 2.7Å; T514-R518 WeakPolarHBondContact O-CB 3.35Å; T514-R518 PolarHBondContact O-N 2.76Å
515	L	94.7	Very high	94.2	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-44.3	178.1	-69.9	176.4	0	0	0	111.8	T511 V512 E513 L517 R518 F519 I523 V529 V533 L586	T511-L515 HydrophobicContact CG2-CD1 4.12Å; T511-L515 HydrophobicContact CG2-CG 4.21Å; T511-L515 VanDerWaalsContact O-CG 3.25Å; T511-L515 WeakPolarHBondContact O-CG 3.47Å; T511-L515 PolarHBondContact O-N 3.45Å; V512-L515 PolarHBondContact O-N 3.01Å; E513-L515 PolarHBondContact O-N 3.27Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L515-R518 PolarHBondContact O-N 3.13Å; L515-F519 HydrophobicContact CD2-CD2 4.27Å; L515-F519 HydrophobicContact CD2-CE2 3.89Å; L515-F519 PolarHBondContact O-N 3.31Å; L515-I523 HydrophobicContact CB-CD1 3.96Å; L515-V529 HydrophobicContact CD1-CG1 4.12Å; L515-V529 HydrophobicContact CD2-CG1 3.85Å; L515-V533 HydrophobicContact CD1-CG2 3.59Å; L515-L586 HydrophobicContact CD1-CD2 4.39Å
516	L	93.4	Very high	94.1	Very high	26 Å²	26	56 Å²	56	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-38.3	177.6	-71.5	171.6	0	0	0	111.9	L441 A444 L448 V512 E513 G520	L441-L516 HydrophobicContact CB-CD2 4.28Å; L441-L516 HydrophobicContact CD2-CD2 4.04Å; L441-L516 HydrophobicContact CD2-CG 4.08Å; A444-L516 HydrophobicContact CB-CD1 3.94Å; L448-L516 HydrophobicContact CD2-CB 4.4Å; V512-L516 HydrophobicContact CG1-CD1 3.99Å; V512-L516 WeakPolarHBondContact O-CG 3.43Å; V512-L516 PolarHBondContact O-N 3.42Å; E513-L516 PolarHBondContact O-N 3.04Å; L516-G520 VanDerWaalsContact O-CA 3.27Å; L516-G520 WeakPolarHBondContact O-CA 3.46Å; L516-G520 PolarHBondContact O-N 2.93Å
517	L	90.4	Very high	94.2	Very high	119 Å²	119	60.8 Å²	60.8	62%	0.623	30%	0.302	S	S	*	.	H	α-helix	trans	-68.3	-38.4	173.6	-71.3	171.2	0	0	0	112.3	E513 T514 L515	E513-L517 HydrophobicContact CG-CD1 4.16Å; E513-L517 WeakPolarHBondContact O-CB 3.3Å; E513-L517 VanDerWaalsContact O-CG 3.3Å; E513-L517 WeakPolarHBondContact O-CG 3.31Å; E513-L517 PolarHBondContact O-N 2.75Å; T514-L517 PolarHBondContact O-N 2.7Å; L515-L517 VanDerWaalsContact C-N 3.34Å
518	R	90.9	Very high	94.3	Very high	72 Å²	72	59.8 Å²	59.8	27%	0.272	30%	0.302	S	S	.	.	H	α-helix	trans	-70.8	-47.1	-177.7	-179.4	171.1	73.4	-166.2	5.7	112.8	T514 L515 L586 K588	T514-R518 WeakPolarHBondContact O-CB 3.35Å; T514-R518 PolarHBondContact O-N 2.76Å; L515-R518 PolarHBondContact O-N 3.13Å; R518-L586 PolarHBondContact NH1-O 3.02Å; R518-L586 PolarHBondContact NH2-O 3.12Å; R518-K588 VanDerWaalsContact NH1-CA 3.31Å
519	F	92.9	Very high	94.2	Very high	42 Å²	42	60 Å²	60	18%	0.184	30%	0.303	C	S	.	.	H	α-helix	trans	-106.8	-23.4	-171	-63.9	-65.1	0	0	0	113.6	L515 K521 T522 I523 E526 V529	L515-F519 HydrophobicContact CD2-CD2 4.27Å; L515-F519 HydrophobicContact CD2-CE2 3.89Å; L515-F519 PolarHBondContact O-N 3.31Å; F519-K521 PolarHBondContact O-N 2.72Å; F519-K521 VanDerWaalsContact O-N 3.17Å; F519-T522 PolarHBondContact O-N 2.98Å; F519-T522 VanDerWaalsContact O-N 3.08Å; F519-T522 PolarHBondContact O-OG1 3.06Å; F519-I523 HydrophobicContact CB-CB 3.74Å; F519-I523 HydrophobicContact CB-CG1 4.26Å; F519-I523 HydrophobicContact CD2-CD1 4.2Å; F519-I523 HydrophobicContact CD2-CG1 4.14Å; F519-I523 HydrophobicContact CG-CB 4.47Å; F519-E526 HydrophobicContact CD1-CG 3.99Å; F519-E526 HydrophobicContact CE1-CG 3.8Å; F519-E526 HydrophobicContact CE2-CG 4.38Å; F519-E526 HydrophobicContact CG-CG 4.4Å; F519-E526 HydrophobicContact CZ-CG 4Å; F519-V529 HydrophobicContact CE2-CG1 4.2Å; F519-V529 HydrophobicContact CE2-CG2 4.28Å; F519-V529 HydrophobicContact CZ-CG2 4.32Å
520	G	91.4	Very high	94.3	Very high	36 Å²	36	59.7 Å²	59.7	37%	0.371	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	53.4	-124.8	-173.6	0	0	0	0	0	111.6	L516 I523	L516-G520 VanDerWaalsContact O-CA 3.27Å; L516-G520 WeakPolarHBondContact O-CA 3.46Å; L516-G520 PolarHBondContact O-N 2.93Å; G520-I523 VanDerWaalsContact O-CG2 3.3Å; G520-I523 WeakPolarHBondContact O-CG2 3.38Å
521	K	90.4	Very high	94.6	Very high	193 Å²	193	62.8 Å²	62.8	84%	0.839	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-74.8	-23.6	-179.6	-65.7	-175.3	179.9	-179.2	0	113.8	F519 I523	F519-K521 PolarHBondContact O-N 2.72Å; F519-K521 VanDerWaalsContact O-N 3.17Å; K521-I523 PolarHBondContact O-N 2.96Å
522	T	95.1	Very high	94.7	Very high	72 Å²	72	63 Å²	63	44%	0.442	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-74.4	-7.3	-177.2	67.3	0	0	0	0	112.6	F519 M524 E525	F519-T522 PolarHBondContact O-N 2.98Å; F519-T522 VanDerWaalsContact O-N 3.08Å; F519-T522 PolarHBondContact O-OG1 3.06Å; T522-M524 PolarHBondContact O-N 3.41Å; T522-E525 WeakPolarHBondContact O-CB 3.41Å; T522-E525 PolarHBondContact O-N 3.44Å
523	I	94.6	Very high	94.8	Very high	9 Å²	9	63 Å²	63	5%	0.046	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-55.7	-23.6	174.6	-161.9	162.4	0	0	0	112.9	L441 L515 F519 G520 K521 E525 E526 L530	L441-I523 HydrophobicContact CD1-CD1 3.65Å; L441-I523 HydrophobicContact CD1-CG1 4.19Å; L441-I523 HydrophobicContact CD2-CD1 4.17Å; L515-I523 HydrophobicContact CB-CD1 3.96Å; F519-I523 HydrophobicContact CB-CB 3.74Å; F519-I523 HydrophobicContact CB-CG1 4.26Å; F519-I523 HydrophobicContact CD2-CD1 4.2Å; F519-I523 HydrophobicContact CD2-CG1 4.14Å; F519-I523 HydrophobicContact CG-CB 4.47Å; G520-I523 VanDerWaalsContact O-CG2 3.3Å; G520-I523 WeakPolarHBondContact O-CG2 3.38Å; K521-I523 PolarHBondContact O-N 2.96Å; I523-E525 PolarHBondContact O-N 2.96Å; I523-E526 PolarHBondContact O-N 2.92Å; I523-E526 VanDerWaalsContact O-N 3.16Å; I523-L530 HydrophobicContact CG1-CD2 4.2Å; I523-L530 WeakPolarHBondContact O-CD1 3.25Å
524	M	93.2	Very high	95.1	Very high	126 Å²	126	60.4 Å²	60.4	62%	0.621	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-62.3	-22.9	175.9	-63	-177.6	62.2	0	0	113.4	L438 T522	L438-M524 HydrophobicContact CD2-CB 4.42Å; L438-M524 HydrophobicContact CD2-CG 3.92Å; T522-M524 PolarHBondContact O-N 3.41Å
525	E	94.8	Very high	95.4	Very high	153 Å²	153	60 Å²	60	72%	0.715	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-92.1	-14.1	179.6	-61.1	173.8	-171.6	0	0	111.9	T522 I523 Q527	T522-E525 WeakPolarHBondContact O-CB 3.41Å; T522-E525 PolarHBondContact O-N 3.44Å; I523-E525 PolarHBondContact O-N 2.96Å; E525-Q527 VanDerWaalsContact C-N 3.32Å; E525-Q527 PolarHBondContact O-N 3.19Å
526	E	96.6	Very high	95.6	Very high	49 Å²	49	59.9 Å²	59.9	23%	0.229	29%	0.294	C	S	.	.			trans	-87.9	61.6	-174.5	-61.1	-62.4	169.1	0	0	112.2	F519 I523 L528 V529 L530	F519-E526 HydrophobicContact CD1-CG 3.99Å; F519-E526 HydrophobicContact CE1-CG 3.8Å; F519-E526 HydrophobicContact CE2-CG 4.38Å; F519-E526 HydrophobicContact CG-CG 4.4Å; F519-E526 HydrophobicContact CZ-CG 4Å; I523-E526 PolarHBondContact O-N 2.92Å; I523-E526 VanDerWaalsContact O-N 3.16Å; E526-L528 VanDerWaalsContact C-N 3.3Å; E526-L528 PolarHBondContact O-N 3.38Å; E526-V529 HydrophobicContact CB-CB 3.97Å; E526-V529 HydrophobicContact CB-CG2 4.05Å; E526-V529 WeakPolarHBondContact O-CB 3.34Å; E526-V529 PolarHBondContact O-N 3.46Å; E526-L530 WeakPolarHBondContact O-CG 3.44Å; E526-L530 PolarHBondContact O-N 3.13Å
527	Q	97.7	Very high	95.8	Very high	130 Å²	130	58.7 Å²	58.7	61%	0.607	29%	0.288	S	S	*	.	H	α-helix	trans	-58.1	-35.1	-171.7	-64.6	-171.8	2.9	0	0	114.5	M434 E525 L530 K531	M434-Q527 HydrophobicContact SD-CB 3.96Å; M434-Q527 HydrophobicContact SD-CG 3.95Å; E525-Q527 VanDerWaalsContact C-N 3.32Å; E525-Q527 PolarHBondContact O-N 3.19Å; Q527-L530 PolarHBondContact O-N 3.3Å; Q527-K531 WeakPolarHBondContact O-CB 3.42Å; Q527-K531 PolarHBondContact O-N 3.06Å
528	L	97.8	Very high	96.2	Very high	50 Å²	50	53.4 Å²	53.4	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-68.7	-36.2	177.7	-61.2	179.1	0	0	0	111.8	E526 R532 D595 I598	E526-L528 VanDerWaalsContact C-N 3.3Å; E526-L528 PolarHBondContact O-N 3.38Å; L528-R532 VanDerWaalsContact C-NH1 3.32Å; L528-R532 PolarHBondContact O-N 2.87Å; L528-R532 PolarHBondContact O-NH1 2.86Å; L528-D595 WeakPolarHBondContact CB-OD1 3.23Å; L528-D595 HydrophobicContact CD1-CB 3.82Å; L528-D595 VanDerWaalsContact CD1-OD1 3.28Å; L528-D595 WeakPolarHBondContact CD1-OD1 3.49Å; L528-I598 HydrophobicContact CD1-CB 4.5Å; L528-I598 HydrophobicContact CD1-CD1 4.46Å; L528-I598 HydrophobicContact CD1-CG2 4.26Å
529	V	97.8	Very high	96.6	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-50	171.5	173.7	0	0	0	0	109.6	L515 F519 E526 K531 R532 V533 L586	L515-V529 HydrophobicContact CD1-CG1 4.12Å; L515-V529 HydrophobicContact CD2-CG1 3.85Å; F519-V529 HydrophobicContact CE2-CG1 4.2Å; F519-V529 HydrophobicContact CE2-CG2 4.28Å; F519-V529 HydrophobicContact CZ-CG2 4.32Å; E526-V529 HydrophobicContact CB-CB 3.97Å; E526-V529 HydrophobicContact CB-CG2 4.05Å; E526-V529 WeakPolarHBondContact O-CB 3.34Å; E526-V529 PolarHBondContact O-N 3.46Å; V529-K531 VanDerWaalsContact C-N 3.28Å; V529-K531 PolarHBondContact O-N 3.38Å; V529-R532 PolarHBondContact O-N 3.01Å; V529-R532 VanDerWaalsContact O-N 3.15Å; V529-V533 WeakPolarHBondContact O-CG2 3.47Å; V529-V533 PolarHBondContact O-N 3.42Å; V529-L586 HydrophobicContact CB-CD2 4.28Å; V529-L586 HydrophobicContact CG1-CD2 3.66Å
530	L	98.4	Very high	96.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-38.3	179.2	-66.5	173.9	0	0	0	112.2	M434 A437 L438 L441 I523 E526 Q527 V533 A534	M434-L530 HydrophobicContact CE-CB 3.49Å; M434-L530 VanDerWaalsContact CE-CB 3.49Å; M434-L530 HydrophobicContact SD-CB 3.66Å; M434-L530 HydrophobicContact SD-CD1 3.73Å; M434-L530 HydrophobicContact SD-CG 4.37Å; A437-L530 HydrophobicContact CB-CB 3.97Å; A437-L530 HydrophobicContact CB-CD2 3.8Å; A437-L530 HydrophobicContact CB-CG 4.49Å; A437-L530 WeakPolarHBondContact CB-O 3.47Å; L438-L530 HydrophobicContact CD1-CD1 4.37Å; L438-L530 HydrophobicContact CD2-CD1 3.81Å; L438-L530 HydrophobicContact CD2-CD2 3.78Å; L438-L530 HydrophobicContact CD2-CG 4.48Å; L438-L530 HydrophobicContact CG-CD1 4.03Å; L438-L530 HydrophobicContact CG-CD2 4.25Å; L441-L530 HydrophobicContact CD1-CD2 3.43Å; L441-L530 VanDerWaalsContact CD1-CD2 3.43Å; I523-L530 HydrophobicContact CG1-CD2 4.2Å; I523-L530 WeakPolarHBondContact O-CD1 3.25Å; E526-L530 WeakPolarHBondContact O-CG 3.44Å; E526-L530 PolarHBondContact O-N 3.13Å; Q527-L530 PolarHBondContact O-N 3.3Å; L530-V533 PolarHBondContact O-N 3.47Å; L530-A534 WeakPolarHBondContact O-CB 3.27Å; L530-A534 PolarHBondContact O-N 3.37Å
531	K	98.5	Very high	97.3	Very high	103 Å²	103	47.2 Å²	47.2	45%	0.448	23%	0.226	S	C	.	.	H	α-helix	trans	-59.9	-47	175.5	176.5	-178.5	176.1	-178.9	0	111.4	M434 Q527 V529 A534 N535	M434-K531 HydrophobicContact CE-CB 4.27Å; Q527-K531 WeakPolarHBondContact O-CB 3.42Å; Q527-K531 PolarHBondContact O-N 3.06Å; V529-K531 VanDerWaalsContact C-N 3.28Å; V529-K531 PolarHBondContact O-N 3.38Å; K531-A534 PolarHBondContact O-N 2.98Å; K531-N535 PolarHBondContact O-N 2.97Å
532	R	98.5	Very high	97.6	Very high	25 Å²	25	38 Å²	38	9%	0.094	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-43.7	177.8	-68	177.9	-171.9	94.2	-3.3	111.5	L528 V529 A534 N535 I536 L586 D595	L528-R532 VanDerWaalsContact C-NH1 3.32Å; L528-R532 PolarHBondContact O-N 2.87Å; L528-R532 PolarHBondContact O-NH1 2.86Å; V529-R532 PolarHBondContact O-N 3.01Å; V529-R532 VanDerWaalsContact O-N 3.15Å; R532-A534 VanDerWaalsContact C-N 3.33Å; R532-A534 PolarHBondContact O-N 3.43Å; R532-N535 PolarHBondContact O-N 3.27Å; R532-I536 WeakPolarHBondContact O-CG1 3.44Å; R532-I536 PolarHBondContact O-N 3.45Å; R532-L586 HydrophobicContact CB-CD1 4.41Å; R532-L586 HydrophobicContact CB-CD2 4.03Å; R532-L586 HydrophobicContact CB-CG 4.32Å; R532-D595 IonicContact CZ-OD1 3.97Å; R532-D595 IonicContact CZ-OD2 3.73Å; R532-D595 IonicContact NH1-OD1 2.56Å; R532-D595 PolarHBondContact NH1-OD1 3.31Å; R532-D595 IonicContact NH1-OD2 2.73Å; R532-D595 PolarHBondContact NH1-OD2 3.26Å; R532-D595 IonicContact NH2-OD1 3.04Å; R532-D595 PolarHBondContact NH2-OD1 2.82Å
533	V	98.6	Very high	97.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-57	-46.3	175	169.7	0	0	0	0	111.2	F44 A437 F508 L515 V529 L530 I536 L537 L586	F44-V533 HydrophobicContact CE1-CG1 3.7Å; F44-V533 HydrophobicContact CZ-CG1 4.23Å; A437-V533 HydrophobicContact CB-CB 4.21Å; A437-V533 HydrophobicContact CB-CG1 3.94Å; F508-V533 HydrophobicContact CE2-CG1 3.98Å; F508-V533 HydrophobicContact CZ-CG1 3.99Å; L515-V533 HydrophobicContact CD1-CG2 3.59Å; V529-V533 WeakPolarHBondContact O-CG2 3.47Å; V529-V533 PolarHBondContact O-N 3.42Å; L530-V533 PolarHBondContact O-N 3.47Å; V533-I536 PolarHBondContact O-N 3.21Å; V533-L537 PolarHBondContact O-N 3.43Å; V533-L537 VanDerWaalsContact O-N 3.13Å; V533-L586 HydrophobicContact CG2-CD1 4.19Å; V533-L586 HydrophobicContact CG2-CD2 4.39Å
534	A	98.8	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-43.4	177.8	0	0	0	0	0	112.5	R433 I436 A437 L530 K531 R532 I536 L537 I538	R433-A534 HydrophobicContact CB-CB 3.7Å; R433-A534 HydrophobicContact CG-CB 3.87Å; R433-A534 VanDerWaalsContact O-CB 3.31Å; R433-A534 WeakPolarHBondContact O-CB 3.35Å; I436-A534 HydrophobicContact CB-CB 4.2Å; I436-A534 HydrophobicContact CG2-CB 3.97Å; A437-A534 HydrophobicContact CB-CB 4.28Å; L530-A534 WeakPolarHBondContact O-CB 3.27Å; L530-A534 PolarHBondContact O-N 3.37Å; K531-A534 PolarHBondContact O-N 2.98Å; R532-A534 VanDerWaalsContact C-N 3.33Å; R532-A534 PolarHBondContact O-N 3.43Å; A534-I536 PolarHBondContact O-N 3.24Å; A534-L537 PolarHBondContact O-N 3.47Å; A534-I538 VanDerWaalsContact O-CG1 3.3Å; A534-I538 WeakPolarHBondContact O-CG1 3.49Å; A534-I538 PolarHBondContact O-N 3.04Å
535	N	98.8	Very high	98.3	Very high	46 Å²	46	28.1 Å²	28.1	25%	0.246	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-43	178.1	-76.5	-5.2	0	0	0	112.2	R433 K531 R532 L537 I538 N539	R433-N535 PolarHBondContact NE-OD1 2.97Å; R433-N535 PolarHBondContact NH2-OD1 2.88Å; K531-N535 PolarHBondContact O-N 2.97Å; R532-N535 PolarHBondContact O-N 3.27Å; N535-L537 VanDerWaalsContact C-N 3.32Å; N535-L537 PolarHBondContact O-N 2.99Å; N535-I538 PolarHBondContact O-N 3.29Å; N535-N539 PolarHBondContact O-N 3.37Å; N535-N539 VanDerWaalsContact O-N 3.08Å
536	I	98.8	Very high	98.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-46.1	175.5	-65.3	158.7	0	0	0	110	F508 R532 V533 A534 I538 N539 L540 N579 L583 L586	F508-I536 HydrophobicContact CB-CG2 4.24Å; F508-I536 HydrophobicContact CD2-CB 4.04Å; F508-I536 HydrophobicContact CD2-CD1 4.36Å; F508-I536 HydrophobicContact CD2-CG2 3.42Å; F508-I536 VanDerWaalsContact CD2-CG2 3.42Å; F508-I536 HydrophobicContact CE2-CB 4.08Å; F508-I536 HydrophobicContact CE2-CG2 3.92Å; F508-I536 HydrophobicContact CG-CG2 3.95Å; R532-I536 WeakPolarHBondContact O-CG1 3.44Å; R532-I536 PolarHBondContact O-N 3.45Å; V533-I536 PolarHBondContact O-N 3.21Å; A534-I536 PolarHBondContact O-N 3.24Å; I536-I538 PolarHBondContact O-N 3.29Å; I536-N539 WeakPolarHBondContact O-CB 3.41Å; I536-N539 PolarHBondContact O-N 3.36Å; I536-L540 HydrophobicContact CG2-CD1 4.1Å; I536-L540 HydrophobicContact CG2-CG 4.31Å; I536-L540 WeakPolarHBondContact O-CG 3.05Å; I536-L540 PolarHBondContact O-N 3.31Å; I536-N579 WeakPolarHBondContact CA-OD1 3.35Å; I536-N579 HydrophobicContact CG2-CB 4.41Å; I536-L583 HydrophobicContact CD1-CD2 3.77Å; I536-L583 HydrophobicContact CD1-CG 3.89Å; I536-L586 HydrophobicContact CD1-CD1 3.73Å
537	L	98.7	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.3	-41.3	179.3	-168.1	78.1	0	0	0	112.8	L43 F44 I377 M381 I436 F508 V533 A534 N535 N539 L540 Y541	L43-L537 HydrophobicContact CB-CD1 3.83Å; L43-L537 HydrophobicContact CD1-CD1 3.95Å; F44-L537 HydrophobicContact CD2-CD1 4.06Å; F44-L537 HydrophobicContact CD2-CD2 4.41Å; F44-L537 HydrophobicContact CE2-CD1 3.71Å; F44-L537 HydrophobicContact CE2-CD2 3.37Å; F44-L537 HydrophobicContact CE2-CG 4.08Å; F44-L537 HydrophobicContact CZ-CD1 4.42Å; F44-L537 HydrophobicContact CZ-CD2 3.86Å; I377-L537 HydrophobicContact CG2-CD2 3.66Å; M381-L537 HydrophobicContact CE-CD2 4.35Å; M381-L537 HydrophobicContact SD-CB 4.3Å; M381-L537 HydrophobicContact SD-CD2 3.65Å; M381-L537 HydrophobicContact SD-CG 3.66Å; I436-L537 HydrophobicContact CG2-CB 4.39Å; I436-L537 HydrophobicContact CG2-CD2 3.53Å; F508-L537 HydrophobicContact CE1-CD1 3.81Å; F508-L537 HydrophobicContact CZ-CB 4.31Å; F508-L537 HydrophobicContact CZ-CD1 4.24Å; V533-L537 PolarHBondContact O-N 3.43Å; V533-L537 VanDerWaalsContact O-N 3.13Å; A534-L537 PolarHBondContact O-N 3.47Å; N535-L537 VanDerWaalsContact C-N 3.32Å; N535-L537 PolarHBondContact O-N 2.99Å; L537-N539 VanDerWaalsContact C-N 3.28Å; L537-N539 PolarHBondContact O-N 3.11Å; L537-L540 PolarHBondContact O-N 2.95Å; L537-Y541 PolarHBondContact O-N 3.4Å
538	I	98.9	Very high	98.6	Very high	8 Å²	8	12.4 Å²	12.4	4%	0.041	6%	0.059	C	C	.	.	H	α-helix	trans	-56.7	-45.6	175.6	-71.3	162.2	0	0	0	110.1	M381 V384 F385 I436 A534 N535 I536 Y541 G542	M381-I538 HydrophobicContact CB-CG1 4.01Å; M381-I538 HydrophobicContact CG-CG1 3.68Å; M381-I538 HydrophobicContact SD-CG1 4.3Å; V384-I538 HydrophobicContact CB-CD1 4.05Å; V384-I538 HydrophobicContact CG1-CD1 3.68Å; F385-I538 HydrophobicContact CB-CG2 4.06Å; F385-I538 HydrophobicContact CD2-CG2 3.93Å; F385-I538 HydrophobicContact CG-CG2 4.48Å; I436-I538 HydrophobicContact CD1-CD1 4.17Å; I436-I538 HydrophobicContact CD1-CG1 4.27Å; A534-I538 VanDerWaalsContact O-CG1 3.3Å; A534-I538 WeakPolarHBondContact O-CG1 3.49Å; A534-I538 PolarHBondContact O-N 3.04Å; N535-I538 PolarHBondContact O-N 3.29Å; I536-I538 PolarHBondContact O-N 3.29Å; I538-Y541 PolarHBondContact O-N 3.35Å; I538-G542 PolarHBondContact O-N 2.86Å
539	N	98.9	Very high	98.7	Very high	20 Å²	20	12.1 Å²	12.1	11%	0.107	6%	0.055	C	C	.	.	H	α-helix	trans	-63.1	-46.6	176.3	-77.9	-10.3	0	0	0	111.9	N535 I536 L537 Y541 G542 M543 A575 N579	N535-N539 PolarHBondContact O-N 3.37Å; N535-N539 VanDerWaalsContact O-N 3.08Å; I536-N539 WeakPolarHBondContact O-CB 3.41Å; I536-N539 PolarHBondContact O-N 3.36Å; L537-N539 VanDerWaalsContact C-N 3.28Å; L537-N539 PolarHBondContact O-N 3.11Å; N539-Y541 VanDerWaalsContact C-N 3.28Å; N539-Y541 PolarHBondContact O-N 3.21Å; N539-G542 PolarHBondContact O-N 3.48Å; N539-M543 VanDerWaalsContact O-CG 3.3Å; N539-M543 WeakPolarHBondContact O-CG 3.46Å; N539-M543 PolarHBondContact O-N 2.8Å; N539-A575 HydrophobicContact CB-CB 4.17Å; N539-N579 VanDerWaalsContact CB-OD1 3.25Å; N539-N579 WeakPolarHBondContact CB-OD1 3.37Å; N539-N579 PolarHBondContact ND2-OD1 3.43Å
540	L	98.8	Very high	98.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.2	-39.7	176.7	-71.9	177.3	0	0	0	112.4	L43 F501 N504 F508 I536 L537 M543 T544	L43-L540 HydrophobicContact CD1-CB 4.11Å; F501-L540 HydrophobicContact CD2-CD2 3.8Å; F501-L540 HydrophobicContact CE2-CB 4.15Å; F501-L540 HydrophobicContact CE2-CD2 3.86Å; F501-L540 WeakPolarHBondContact CE2-O 3.45Å; N504-L540 HydrophobicContact CB-CD2 3.65Å; F508-L540 HydrophobicContact CB-CD1 4.03Å; F508-L540 HydrophobicContact CD1-CD1 3.73Å; F508-L540 HydrophobicContact CE1-CD1 4.37Å; F508-L540 HydrophobicContact CG-CD1 3.91Å; I536-L540 HydrophobicContact CG2-CD1 4.1Å; I536-L540 HydrophobicContact CG2-CG 4.31Å; I536-L540 WeakPolarHBondContact O-CG 3.05Å; I536-L540 PolarHBondContact O-N 3.31Å; L537-L540 PolarHBondContact O-N 2.95Å; L540-M543 HydrophobicContact CD2-SD 4.4Å; L540-M543 PolarHBondContact O-N 2.92Å; L540-T544 PolarHBondContact O-N 3.43Å; L540-T544 PolarHBondContact O-OG1 3.03Å
541	Y	98.8	Very high	98.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-70.5	-40.2	176.5	-170.7	-119.2	0	0	0	112.1	F39 M359 L362 T363 E378 M381 V382 L537 I538 N539 M543 T544 A545	F39-Y541 HydrophobicContact CD1-CD2 4.18Å; F39-Y541 HydrophobicContact CD1-CE2 4.2Å; F39-Y541 HydrophobicContact CE1-CD2 4.07Å; F39-Y541 HydrophobicContact CE1-CE2 4.4Å; M359-Y541 HydrophobicContact CB-CD1 4.31Å; M359-Y541 HydrophobicContact CB-CE1 3.99Å; M359-Y541 HydrophobicContact CE-CD1 3.63Å; M359-Y541 HydrophobicContact CE-CE1 4.32Å; M359-Y541 HydrophobicContact CG-CD1 4.09Å; M359-Y541 HydrophobicContact CG-CE1 4.23Å; L362-Y541 HydrophobicContact CD2-CE2 3.91Å; T363-Y541 PolarHBondContact N-OH 3.44Å; T363-Y541 PolarHBondContact OG1-OH 3.34Å; E378-Y541 HydrophobicContact CB-CE1 4.16Å; E378-Y541 HydrophobicContact CB-CE2 4.41Å; E378-Y541 HydrophobicContact CG-CD2 4.32Å; E378-Y541 HydrophobicContact CG-CE1 4.31Å; E378-Y541 HydrophobicContact CG-CE2 3.69Å; M381-Y541 HydrophobicContact CB-CD1 4.28Å; M381-Y541 VanDerWaalsContact CE-CB 3.43Å; M381-Y541 HydrophobicContact CE-CD1 3.64Å; M381-Y541 HydrophobicContact CE-CD2 3.9Å; M381-Y541 HydrophobicContact CE-CE1 4.41Å; M381-Y541 HydrophobicContact CE-CG 3.37Å; M381-Y541 HydrophobicContact SD-CD1 4.45Å; M381-Y541 HydrophobicContact SD-CG 4.2Å; V382-Y541 HydrophobicContact CG2-CE1 4.29Å; L537-Y541 PolarHBondContact O-N 3.4Å; I538-Y541 PolarHBondContact O-N 3.35Å; N539-Y541 VanDerWaalsContact C-N 3.28Å; N539-Y541 PolarHBondContact O-N 3.21Å; Y541-M543 VanDerWaalsContact C-N 3.32Å; Y541-M543 PolarHBondContact O-N 3.15Å; Y541-T544 WeakPolarHBondContact O-CB 3.23Å; Y541-T544 PolarHBondContact O-N 2.96Å; Y541-A545 PolarHBondContact O-N 2.84Å
542	G	98.8	Very high	98.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-55.7	-45.8	169.9	0	0	0	0	0	112.1	I538 N539 T544 A545 V546 F571	I538-G542 PolarHBondContact O-N 2.86Å; N539-G542 PolarHBondContact O-N 3.48Å; G542-T544 VanDerWaalsContact C-N 3.35Å; G542-T544 PolarHBondContact O-N 3.48Å; G542-A545 PolarHBondContact O-N 2.99Å; G542-V546 WeakPolarHBondContact O-CG2 3.26Å; G542-V546 PolarHBondContact O-N 3.49Å; G542-F571 VanDerWaalsContact C-CE1 3.45Å
543	M	98.9	Very high	98.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.2	-44.7	178.9	-68.1	173.2	91	0	0	110.4	K500 F501 N539 L540 Y541 A545 L547 F571 C572 A575	K500-M543 HydrophobicContact CB-CE 4.31Å; F501-M543 HydrophobicContact CB-CB 4.36Å; F501-M543 HydrophobicContact CB-CE 3.73Å; F501-M543 HydrophobicContact CB-SD 4.34Å; F501-M543 HydrophobicContact CD2-CB 3.84Å; F501-M543 HydrophobicContact CD2-SD 4.11Å; F501-M543 HydrophobicContact CE2-CB 4.48Å; F501-M543 HydrophobicContact CG-CB 4.19Å; N539-M543 VanDerWaalsContact O-CG 3.3Å; N539-M543 WeakPolarHBondContact O-CG 3.46Å; N539-M543 PolarHBondContact O-N 2.8Å; L540-M543 HydrophobicContact CD2-SD 4.4Å; L540-M543 PolarHBondContact O-N 2.92Å; Y541-M543 VanDerWaalsContact C-N 3.32Å; Y541-M543 PolarHBondContact O-N 3.15Å; M543-A545 VanDerWaalsContact C-N 3.34Å; M543-A545 PolarHBondContact O-N 3.19Å; M543-L547 VanDerWaalsContact O-CB 3.24Å; M543-L547 WeakPolarHBondContact O-CB 3.4Å; M543-L547 WeakPolarHBondContact O-CD1 3.48Å; M543-L547 WeakPolarHBondContact O-CG 3.22Å; M543-L547 PolarHBondContact O-N 2.99Å; M543-F571 HydrophobicContact CG-CD1 4.43Å; M543-F571 HydrophobicContact CG-CE1 3.96Å; M543-C572 HydrophobicContact CE-CB 3.99Å; M543-A575 HydrophobicContact CG-CB 3.97Å; M543-A575 HydrophobicContact SD-CB 4.06Å
544	T	98.8	Very high	98.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-54.8	-50.8	174.9	-58	0	0	0	0	111.2	F39 V53 L362 F501 L540 Y541 G542 S548	F39-T544 HydrophobicContact CE1-CG2 3.67Å; F39-T544 HydrophobicContact CE2-CG2 4.37Å; F39-T544 HydrophobicContact CZ-CG2 3.47Å; F39-T544 VanDerWaalsContact CZ-CG2 3.47Å; V53-T544 HydrophobicContact CB-CG2 3.85Å; V53-T544 HydrophobicContact CG1-CG2 4.11Å; V53-T544 HydrophobicContact CG2-CG2 3.63Å; L362-T544 HydrophobicContact CD2-CG2 4.19Å; F501-T544 WeakPolarHBondContact CZ-OG1 3.44Å; L540-T544 PolarHBondContact O-N 3.43Å; L540-T544 PolarHBondContact O-OG1 3.03Å; Y541-T544 WeakPolarHBondContact O-CB 3.23Å; Y541-T544 PolarHBondContact O-N 2.96Å; G542-T544 VanDerWaalsContact C-N 3.35Å; G542-T544 PolarHBondContact O-N 3.48Å; T544-S548 VanDerWaalsContact O-CB 3.31Å; T544-S548 WeakPolarHBondContact O-CB 3.44Å; T544-S548 PolarHBondContact O-N 3.26Å
545	A	98.8	Very high	98.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.5	-47	-174.1	0	0	0	0	0	112.5	M359 L362 Y541 G542 M543 S548 R549	M359-A545 HydrophobicContact CB-CB 4.37Å; M359-A545 HydrophobicContact CG-CB 3.86Å; L362-A545 HydrophobicContact CD2-CB 3.96Å; Y541-A545 PolarHBondContact O-N 2.84Å; G542-A545 PolarHBondContact O-N 2.99Å; M543-A545 VanDerWaalsContact C-N 3.34Å; M543-A545 PolarHBondContact O-N 3.19Å; A545-S548 PolarHBondContact O-N 2.91Å; A545-R549 WeakPolarHBondContact O-CB 3.37Å; A545-R549 PolarHBondContact O-N 3.37Å
546	V	98.9	Very high	98.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-71.2	-37.2	-179.8	-60	0	0	0	0	112.5	Y354 V355 G542 S548 A550 A568 F571	Y354-V546 HydrophobicContact CD1-CB 4.43Å; Y354-V546 HydrophobicContact CD1-CG1 3.85Å; Y354-V546 HydrophobicContact CE1-CB 3.94Å; Y354-V546 HydrophobicContact CE1-CG1 3.81Å; V355-V546 HydrophobicContact CB-CG1 4.16Å; V355-V546 HydrophobicContact CG1-CG1 4.37Å; V355-V546 HydrophobicContact CG2-CG1 3.68Å; G542-V546 WeakPolarHBondContact O-CG2 3.26Å; G542-V546 PolarHBondContact O-N 3.49Å; V546-S548 VanDerWaalsContact C-N 3.32Å; V546-S548 PolarHBondContact O-N 2.8Å; V546-A550 WeakPolarHBondContact O-CB 3.14Å; V546-A550 PolarHBondContact O-N 2.92Å; V546-A568 HydrophobicContact CB-CB 3.9Å; V546-A568 HydrophobicContact CG2-CB 3.98Å; V546-F571 HydrophobicContact CG2-CD1 3.94Å
547	L	98.8	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-42.1	175.1	-74.1	171.7	0	0	0	111	F54 V490 L494 F501 M543 S551	F54-L547 HydrophobicContact CE1-CB 4.37Å; F54-L547 HydrophobicContact CZ-CB 4.21Å; V490-L547 HydrophobicContact CG1-CD2 4.33Å; L494-L547 HydrophobicContact CB-CD2 3.97Å; L494-L547 HydrophobicContact CD2-CD2 4.39Å; F501-L547 HydrophobicContact CB-CD1 3.85Å; F501-L547 HydrophobicContact CD1-CD1 3.83Å; F501-L547 HydrophobicContact CG-CD1 4.07Å; M543-L547 VanDerWaalsContact O-CB 3.24Å; M543-L547 WeakPolarHBondContact O-CB 3.4Å; M543-L547 WeakPolarHBondContact O-CD1 3.48Å; M543-L547 WeakPolarHBondContact O-CG 3.22Å; M543-L547 PolarHBondContact O-N 2.99Å; L547-S551 WeakPolarHBondContact O-CB 3.28Å; L547-S551 PolarHBondContact O-N 3.38Å; L547-S551 VanDerWaalsContact O-N 3.08Å; L547-S551 PolarHBondContact O-OG 3Å
548	S	98.7	Very high	97.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-65.9	-50.9	177.8	-176.9	0	0	0	0	112	V53 F56 T544 A545 V546 S551 R552	V53-S548 VanDerWaalsContact O-CB 3.3Å; V53-S548 WeakPolarHBondContact O-CB 3.24Å; V53-S548 PolarHBondContact O-OG 3.08Å; F56-S548 WeakPolarHBondContact CA-OG 3.15Å; F56-S548 WeakPolarHBondContact CB-OG 3.24Å; F56-S548 PolarHBondContact N-OG 2.76Å; F56-S548 VanDerWaalsContact N-OG 3.1Å; T544-S548 VanDerWaalsContact O-CB 3.31Å; T544-S548 WeakPolarHBondContact O-CB 3.44Å; T544-S548 PolarHBondContact O-N 3.26Å; A545-S548 PolarHBondContact O-N 2.91Å; V546-S548 VanDerWaalsContact C-N 3.32Å; V546-S548 PolarHBondContact O-N 2.8Å; S548-S551 PolarHBondContact O-N 3.17Å; S548-R552 WeakPolarHBondContact O-CB 3.44Å; S548-R552 PolarHBondContact O-N 3.06Å
549	R	98.6	Very high	97.7	Very high	45 Å²	45	33.4 Å²	33.4	17%	0.17	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-52.6	-179.9	-174.8	-177.3	172.6	171.9	4.5	112.2	F56 Y354 E357 S358 A545 S551 R552 S553 E564	F56-R549 HydrophobicContact CD2-CB 3.66Å; F56-R549 HydrophobicContact CD2-CG 4.45Å; F56-R549 HydrophobicContact CE2-CB 3.77Å; F56-R549 HydrophobicContact CE2-CG 4.41Å; F56-R549 HydrophobicContact CG-CB 4.13Å; F56-R549 HydrophobicContact CZ-CB 4.34Å; Y354-R549 WeakPolarHBondContact OH-CD 3.23Å; E357-R549 IonicContact OE1-NH2 3.76Å; E357-R549 IonicContact OE2-CZ 3.72Å; E357-R549 IonicContact OE2-NH1 2.76Å; E357-R549 PolarHBondContact OE2-NH1 3.41Å; E357-R549 IonicContact OE2-NH2 3.86Å; E357-R549 PolarHBondContact OE2-NH2 2.86Å; S358-R549 WeakPolarHBondContact OG-CD 3.49Å; S358-R549 PolarHBondContact OG-NH1 3.32Å; S358-R549 VanDerWaalsContact OG-NH1 3.12Å; A545-R549 WeakPolarHBondContact O-CB 3.37Å; A545-R549 PolarHBondContact O-N 3.37Å; R549-S551 VanDerWaalsContact C-N 3.34Å; R549-S551 PolarHBondContact O-N 2.97Å; R549-R552 PolarHBondContact O-N 3.15Å; R549-S553 WeakPolarHBondContact O-CB 3.37Å; R549-S553 PolarHBondContact O-N 3.22Å; R549-E564 IonicContact NE-OE2 2.63Å; R549-E564 PolarHBondContact NE-OE2 2.78Å
550	A	98.6	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-37.9	-177.7	0	0	0	0	0	111.7	L494 V546 R552 S553 I554 E564 V565 A568	L494-A550 HydrophobicContact CD1-CB 3.7Å; L494-A550 HydrophobicContact CD2-CB 4.41Å; V546-A550 WeakPolarHBondContact O-CB 3.14Å; V546-A550 PolarHBondContact O-N 2.92Å; A550-R552 VanDerWaalsContact C-N 3.32Å; A550-R552 PolarHBondContact O-N 3.11Å; A550-S553 PolarHBondContact O-N 3.47Å; A550-I554 VanDerWaalsContact O-CG2 3.32Å; A550-I554 WeakPolarHBondContact O-CG2 3.44Å; A550-I554 PolarHBondContact O-N 3.41Å; A550-I554 VanDerWaalsContact O-N 3.08Å; A550-E564 HydrophobicContact CB-CB 4.37Å; A550-V565 HydrophobicContact CB-CG2 4.5Å; A550-A568 HydrophobicContact CB-CB 3.84Å
551	S	98.4	Very high	97.5	Very high	1 Å²	1	40 Å²	40	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-40.1	174.3	-66.1	0	0	0	0	112.4	V490 H491 L494 L547 S548 R549 I554 R555	V490-S551 WeakPolarHBondContact CA-OG 3.36Å; V490-S551 WeakPolarHBondContact CG1-OG 3.25Å; H491-S551 PolarHBondContact N-OG 3.47Å; L494-S551 WeakPolarHBondContact CD1-OG 3.47Å; L547-S551 WeakPolarHBondContact O-CB 3.28Å; L547-S551 PolarHBondContact O-N 3.38Å; L547-S551 VanDerWaalsContact O-N 3.08Å; L547-S551 PolarHBondContact O-OG 3Å; S548-S551 PolarHBondContact O-N 3.17Å; R549-S551 VanDerWaalsContact C-N 3.34Å; R549-S551 PolarHBondContact O-N 2.97Å; S551-I554 WeakPolarHBondContact O-CG2 3.1Å; S551-R555 WeakPolarHBondContact O-CB 3.43Å; S551-R555 WeakPolarHBondContact O-CD 3.04Å; S551-R555 WeakPolarHBondContact O-CG 3.37Å; S551-R555 PolarHBondContact O-N 3.23Å
552	R	97.6	Very high	97.5	Very high	60 Å²	60	45.3 Å²	45.3	23%	0.226	22%	0.217	C	C	.	.	H	α-helix	trans	-68.9	-46.4	175.8	174.1	-96	167.8	-178.4	3.9	110.6	F56 E58 S548 R549 A550 I554 R555 I556 L558	F56-R552 HydrophobicContact CB-CB 3.98Å; F56-R552 HydrophobicContact CB-CG 4.3Å; E58-R552 IonicContact OE1-CZ 3.94Å; E58-R552 IonicContact OE1-NE 2.86Å; E58-R552 PolarHBondContact OE1-NE 3.05Å; E58-R552 IonicContact OE1-NH2 2.67Å; E58-R552 PolarHBondContact OE1-NH2 2.96Å; S548-R552 WeakPolarHBondContact O-CB 3.44Å; S548-R552 PolarHBondContact O-N 3.06Å; R549-R552 PolarHBondContact O-N 3.15Å; A550-R552 VanDerWaalsContact C-N 3.32Å; A550-R552 PolarHBondContact O-N 3.11Å; R552-I554 PolarHBondContact O-N 3.49Å; R552-R555 PolarHBondContact O-N 3.35Å; R552-I556 WeakPolarHBondContact O-CG1 3.17Å; R552-I556 PolarHBondContact O-N 2.89Å; R552-I556 VanDerWaalsContact O-N 3.13Å; R552-L558 VanDerWaalsContact NH1-CD1 3.25Å
553	S	97.9	Very high	97.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54.7	-48.9	-178.9	179.7	0	0	0	0	112.7	R549 A550 G557 L558 H561 E564	R549-S553 WeakPolarHBondContact O-CB 3.37Å; R549-S553 PolarHBondContact O-N 3.22Å; A550-S553 PolarHBondContact O-N 3.47Å; S553-G557 PolarHBondContact O-N 3.4Å; S553-G557 VanDerWaalsContact O-N 3.13Å; S553-L558 PolarHBondContact O-N 2.58Å; S553-L558 WeakPolarHBondContact OG-CB 3.46Å; S553-H561 WeakPolarHBondContact OG-CB 3.34Å; S553-E564 VanDerWaalsContact CB-OE1 3.29Å; S553-E564 WeakPolarHBondContact CB-OE1 3.37Å; S553-E564 VanDerWaalsContact OG-CD 3.29Å; S553-E564 PolarHBondContact OG-OE1 2.95Å
554	I	96.8	Very high	97.4	Very high	31 Å²	31	51 Å²	51	16%	0.159	24%	0.244	C	C	.	.	H	α-helix	trans	-69.4	-36.2	178.4	-169.2	160.6	0	0	0	113	H491 A550 S551 R552 I556 G557 H561 V565	H491-I554 HydrophobicContact CB-CG2 3.64Å; H491-I554 VanDerWaalsContact CE1-CD1 3.41Å; H491-I554 WeakPolarHBondContact CE1-CD1 3.42Å; A550-I554 VanDerWaalsContact O-CG2 3.32Å; A550-I554 WeakPolarHBondContact O-CG2 3.44Å; A550-I554 PolarHBondContact O-N 3.41Å; A550-I554 VanDerWaalsContact O-N 3.08Å; S551-I554 WeakPolarHBondContact O-CG2 3.1Å; R552-I554 PolarHBondContact O-N 3.49Å; I554-I556 VanDerWaalsContact C-N 3.32Å; I554-I556 PolarHBondContact O-N 3.23Å; I554-G557 PolarHBondContact O-N 3.34Å; I554-H561 HydrophobicContact CB-CB 4.28Å; I554-V565 HydrophobicContact CD1-CG2 4.13Å
555	R	96.2	Very high	97.4	Very high	121 Å²	121	51.7 Å²	51.7	46%	0.457	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-35.6	179.6	-81.2	175.3	178.8	156.7	6.2	113.1	V489 V490 S551 R552	V489-R555 PolarHBondContact O-NH1 3.07Å; V489-R555 PolarHBondContact O-NH2 3.48Å; V490-R555 PolarHBondContact O-NH2 2.96Å; S551-R555 WeakPolarHBondContact O-CB 3.43Å; S551-R555 WeakPolarHBondContact O-CD 3.04Å; S551-R555 WeakPolarHBondContact O-CG 3.37Å; S551-R555 PolarHBondContact O-N 3.23Å; R552-R555 PolarHBondContact O-N 3.35Å
556	I	95.7	Very high	97.4	Very high	88 Å²	88	56.5 Å²	56.5	45%	0.451	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.2	178.8	71.2	158.4	0	0	0	113	R552 I554 L558	R552-I556 WeakPolarHBondContact O-CG1 3.17Å; R552-I556 PolarHBondContact O-N 2.89Å; R552-I556 VanDerWaalsContact O-N 3.13Å; I554-I556 VanDerWaalsContact C-N 3.32Å; I554-I556 PolarHBondContact O-N 3.23Å; I556-L558 HydrophobicContact CD1-CD1 4.2Å; I556-L558 HydrophobicContact CD1-CD2 3.55Å; I556-L558 HydrophobicContact CD1-CG 3.59Å; I556-L558 HydrophobicContact CG1-CD2 4.13Å; I556-L558 HydrophobicContact CG1-CG 3.77Å
557	G	95.4	Very high	97.4	Very high	50 Å²	50	57.3 Å²	57.3	52%	0.515	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	41.2	177.6	0	0	0	0	0	114.4	S553 I554	S553-G557 PolarHBondContact O-N 3.4Å; S553-G557 VanDerWaalsContact O-N 3.13Å; I554-G557 PolarHBondContact O-N 3.34Å
558	L	94.6	Very high	97.4	Very high	62 Å²	62	57.3 Å²	57.3	33%	0.325	28%	0.277	S	S	.	.			trans	-64	149.2	175.6	-73.1	-170.8	0	0	0	112.5	R552 S553 I556 N560 H561	R552-L558 VanDerWaalsContact NH1-CD1 3.25Å; S553-L558 PolarHBondContact O-N 2.58Å; S553-L558 WeakPolarHBondContact OG-CB 3.46Å; I556-L558 HydrophobicContact CD1-CD1 4.2Å; I556-L558 HydrophobicContact CD1-CD2 3.55Å; I556-L558 HydrophobicContact CD1-CG 3.59Å; I556-L558 HydrophobicContact CG1-CD2 4.13Å; I556-L558 HydrophobicContact CG1-CG 3.77Å; L558-N560 PolarHBondContact O-N 3.32Å; L558-H561 WeakPolarHBondContact O-CB 3.36Å; L558-H561 PolarHBondContact O-CD2 3.23Å; L558-H561 PolarHBondContact O-N 3.38Å; L558-H561 VanDerWaalsContact O-N 3.13Å
559	R	94.8	Very high	97.4	Very high	222 Å²	222	59.3 Å²	59.3	84%	0.838	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	133.7	171.8	-175.4	179.8	177.5	-177.1	0.2	110.4	H561	R559-H561 VanDerWaalsContact C-N 3.27Å; R559-H561 PolarHBondContact O-N 3.07Å
560	N	95.8	Very high	97.4	Very high	111 Å²	111	59.7 Å²	59.7	59%	0.594	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	21.9	179.9	-50.4	-31	0	0	0	114.8	L558 D562 H563 E564	L558-N560 PolarHBondContact O-N 3.32Å; N560-D562 PolarHBondContact O-N 2.92Å; N560-H563 HydrophobicContact CB-CB 4.46Å; N560-H563 WeakPolarHBondContact O-CB 3.49Å; N560-H563 PolarHBondContact O-N 3.38Å; N560-E564 PolarHBondContact O-N 2.9Å
561	H	97.1	Very high	97.4	Very high	48 Å²	48	59.9 Å²	59.9	22%	0.222	30%	0.296	C	S	.	.	H	α-helix	trans	-53	-30.4	176.1	61.4	64.2	0	0	0	113.3	S553 I554 L558 R559 H563 E564 V565	S553-H561 WeakPolarHBondContact OG-CB 3.34Å; I554-H561 HydrophobicContact CB-CB 4.28Å; L558-H561 WeakPolarHBondContact O-CB 3.36Å; L558-H561 PolarHBondContact O-CD2 3.23Å; L558-H561 PolarHBondContact O-N 3.38Å; L558-H561 VanDerWaalsContact O-N 3.13Å; R559-H561 VanDerWaalsContact C-N 3.27Å; R559-H561 PolarHBondContact O-N 3.07Å; H561-H563 VanDerWaalsContact C-N 3.3Å; H561-H563 PolarHBondContact O-N 2.97Å; H561-E564 WeakPolarHBondContact O-CB 3.48Å; H561-E564 PolarHBondContact O-N 3.47Å; H561-V565 WeakPolarHBondContact O-CG2 3.37Å; H561-V565 PolarHBondContact O-N 3.43Å
562	D	97.8	Very high	97.4	Very high	111 Å²	111	59.9 Å²	59.9	59%	0.594	30%	0.296	S	S	*	.	H	α-helix	trans	-65.1	-34.8	177	-66.9	-27.6	0	0	0	112.4	N560 V565 L566	N560-D562 PolarHBondContact O-N 2.92Å; D562-V565 PolarHBondContact O-N 2.7Å; D562-L566 WeakPolarHBondContact O-CB 3.38Å; D562-L566 PolarHBondContact O-N 2.84Å
563	H	97.9	Very high	97.5	Very high	97 Å²	97	59.4 Å²	59.4	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-71.3	-37.7	175	-168.3	61.5	0	0	0	111.3	N560 H561 V565 L566 L567	N560-H563 HydrophobicContact CB-CB 4.46Å; N560-H563 WeakPolarHBondContact O-CB 3.49Å; N560-H563 PolarHBondContact O-N 3.38Å; H561-H563 VanDerWaalsContact C-N 3.3Å; H561-H563 PolarHBondContact O-N 2.97Å; H563-V565 VanDerWaalsContact C-N 3.35Å; H563-L566 WeakPolarHBondContact O-CB 3.47Å; H563-L566 PolarHBondContact O-N 3.19Å; H563-L567 WeakPolarHBondContact O-CG 3.46Å; H563-L567 PolarHBondContact O-N 2.95Å
564	E	98.5	Very high	97.5	Very high	24 Å²	24	63.2 Å²	63.2	11%	0.112	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-43.5	172.3	-69.5	-165.5	-114.5	0	0	112	Y354 R549 A550 S553 N560 H561 L566 L567 A568	Y354-E564 HydrophobicContact CE2-CB 4.11Å; Y354-E564 HydrophobicContact CE2-CG 3.65Å; Y354-E564 VanDerWaalsContact CE2-OE2 3.27Å; Y354-E564 WeakPolarHBondContact CE2-OE2 3.45Å; Y354-E564 WeakPolarHBondContact OH-CB 2.92Å; Y354-E564 PolarHBondContact OH-OE2 3.24Å; R549-E564 IonicContact NE-OE2 2.63Å; R549-E564 PolarHBondContact NE-OE2 2.78Å; A550-E564 HydrophobicContact CB-CB 4.37Å; S553-E564 VanDerWaalsContact CB-OE1 3.29Å; S553-E564 WeakPolarHBondContact CB-OE1 3.37Å; S553-E564 VanDerWaalsContact OG-CD 3.29Å; S553-E564 PolarHBondContact OG-OE1 2.95Å; N560-E564 PolarHBondContact O-N 2.9Å; H561-E564 WeakPolarHBondContact O-CB 3.48Å; H561-E564 PolarHBondContact O-N 3.47Å; E564-L566 VanDerWaalsContact C-N 3.33Å; E564-L566 PolarHBondContact O-N 3.43Å; E564-L567 PolarHBondContact O-N 3.44Å; E564-A568 VanDerWaalsContact O-CB 3.28Å; E564-A568 WeakPolarHBondContact O-CB 3.26Å; E564-A568 PolarHBondContact O-N 3.46Å
565	V	98.6	Very high	97.6	Very high	14 Å²	14	61.7 Å²	61.7	9%	0.085	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-42.1	174.2	170.3	0	0	0	0	111.1	L494 A550 I554 H561 D562 H563 N569	L494-V565 HydrophobicContact CD2-CB 4.49Å; L494-V565 HydrophobicContact CD2-CG1 4.03Å; L494-V565 HydrophobicContact CG-CG1 4.4Å; A550-V565 HydrophobicContact CB-CG2 4.5Å; I554-V565 HydrophobicContact CD1-CG2 4.13Å; H561-V565 WeakPolarHBondContact O-CG2 3.37Å; H561-V565 PolarHBondContact O-N 3.43Å; D562-V565 PolarHBondContact O-N 2.7Å; H563-V565 VanDerWaalsContact C-N 3.35Å; V565-N569 WeakPolarHBondContact O-CB 3.36Å; V565-N569 PolarHBondContact O-N 2.91Å; V565-N569 PolarHBondContact O-ND2 2.9Å
566	L	98.6	Very high	97.7	Very high	100 Å²	100	57 Å²	57	52%	0.524	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-47.9	176.6	176.1	66.5	0	0	0	111.9	D562 H563 E564 N569 T570	D562-L566 WeakPolarHBondContact O-CB 3.38Å; D562-L566 PolarHBondContact O-N 2.84Å; H563-L566 WeakPolarHBondContact O-CB 3.47Å; H563-L566 PolarHBondContact O-N 3.19Å; E564-L566 VanDerWaalsContact C-N 3.33Å; E564-L566 PolarHBondContact O-N 3.43Å; L566-N569 PolarHBondContact O-N 3.47Å; L566-T570 WeakPolarHBondContact O-CB 3.43Å; L566-T570 PolarHBondContact O-N 3Å; L566-T570 PolarHBondContact O-OG1 3.1Å
567	L	98.7	Very high	97.8	Very high	17 Å²	17	58.8 Å²	58.8	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-44.3	178.8	-69.4	174.3	0	0	0	111.6	A350 Q351 Y354 H563 E564 T570 F571	A350-L567 HydrophobicContact CB-CD2 4.3Å; Q351-L567 HydrophobicContact CB-CD2 4.27Å; Y354-L567 HydrophobicContact CD1-CB 3.91Å; Y354-L567 HydrophobicContact CD1-CD1 4.38Å; Y354-L567 HydrophobicContact CD2-CD1 4.19Å; Y354-L567 HydrophobicContact CE1-CB 4.37Å; Y354-L567 HydrophobicContact CG-CB 4.26Å; Y354-L567 HydrophobicContact CG-CD1 3.89Å; H563-L567 WeakPolarHBondContact O-CG 3.46Å; H563-L567 PolarHBondContact O-N 2.95Å; E564-L567 PolarHBondContact O-N 3.44Å; L567-T570 PolarHBondContact O-N 2.94Å; L567-F571 WeakPolarHBondContact O-CB 3.29Å; L567-F571 PolarHBondContact O-N 2.59Å
568	A	98.8	Very high	98	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-46.3	177.3	0	0	0	0	0	111.8	Y354 L494 V546 A550 E564 C572	Y354-A568 HydrophobicContact CE1-CB 4.41Å; L494-A568 HydrophobicContact CD2-CB 3.87Å; V546-A568 HydrophobicContact CB-CB 3.9Å; V546-A568 HydrophobicContact CG2-CB 3.98Å; A550-A568 HydrophobicContact CB-CB 3.84Å; E564-A568 VanDerWaalsContact O-CB 3.28Å; E564-A568 WeakPolarHBondContact O-CB 3.26Å; E564-A568 PolarHBondContact O-N 3.46Å; A568-C572 WeakPolarHBondContact O-CB 3.48Å; A568-C572 PolarHBondContact O-N 3.3Å; A568-C572 PolarHBondContact O-SG 3.29Å
569	N	98.7	Very high	98.1	Very high	43 Å²	43	58 Å²	58	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-44.4	177.4	-80.5	-33.1	0	0	0	112	S493 L494 S497 V565 L566 C572 V573	S493-N569 PolarHBondContact O-ND2 3.05Å; L494-N569 WeakPolarHBondContact CD2-OD1 3.45Å; S497-N569 WeakPolarHBondContact CB-OD1 3.49Å; S497-N569 WeakPolarHBondContact OG-CA 3.15Å; S497-N569 PolarHBondContact OG-OD1 3.48Å; V565-N569 WeakPolarHBondContact O-CB 3.36Å; V565-N569 PolarHBondContact O-N 2.91Å; V565-N569 PolarHBondContact O-ND2 2.9Å; L566-N569 PolarHBondContact O-N 3.47Å; N569-C572 PolarHBondContact O-N 2.85Å; N569-V573 VanDerWaalsContact O-CG2 3.31Å; N569-V573 WeakPolarHBondContact O-CG2 3.44Å; N569-V573 PolarHBondContact O-N 3.31Å
570	T	98.7	Very high	98.2	Very high	54 Å²	54	50 Å²	50	33%	0.331	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-49.7	179.1	-52.7	0	0	0	0	110.8	L566 L567 C572 V573 E574	L566-T570 WeakPolarHBondContact O-CB 3.43Å; L566-T570 PolarHBondContact O-N 3Å; L566-T570 PolarHBondContact O-OG1 3.1Å; L567-T570 PolarHBondContact O-N 2.94Å; T570-C572 PolarHBondContact O-N 2.66Å; T570-V573 PolarHBondContact O-N 3.08Å; T570-E574 PolarHBondContact O-N 2.95Å
571	F	98.8	Very high	98.3	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-46.3	178.1	175.5	-99.3	0	0	0	112.3	Q351 V355 F385 G542 M543 V546 L567 V573 E574 A575	Q351-F571 HydrophobicContact CG-CB 3.82Å; Q351-F571 HydrophobicContact CG-CD2 4.4Å; V355-F571 HydrophobicContact CB-CD2 4.49Å; V355-F571 HydrophobicContact CB-CE2 4.49Å; V355-F571 HydrophobicContact CG1-CD2 4.4Å; V355-F571 HydrophobicContact CG1-CE1 4.2Å; V355-F571 HydrophobicContact CG1-CE2 3.99Å; V355-F571 HydrophobicContact CG1-CZ 3.87Å; V355-F571 HydrophobicContact CG2-CB 3.97Å; V355-F571 HydrophobicContact CG2-CD1 3.95Å; V355-F571 HydrophobicContact CG2-CD2 3.47Å; V355-F571 VanDerWaalsContact CG2-CD2 3.47Å; V355-F571 HydrophobicContact CG2-CE1 4.35Å; V355-F571 HydrophobicContact CG2-CE2 3.9Å; V355-F571 HydrophobicContact CG2-CG 3.47Å; V355-F571 VanDerWaalsContact CG2-CG 3.47Å; V355-F571 HydrophobicContact CG2-CZ 4.32Å; F385-F571 HydrophobicContact CE2-CE2 4.07Å; F385-F571 HydrophobicContact CE2-CZ 4.39Å; F385-F571 HydrophobicContact CZ-CE2 4.27Å; G542-F571 VanDerWaalsContact C-CE1 3.45Å; M543-F571 HydrophobicContact CG-CD1 4.43Å; M543-F571 HydrophobicContact CG-CE1 3.96Å; V546-F571 HydrophobicContact CG2-CD1 3.94Å; L567-F571 WeakPolarHBondContact O-CB 3.29Å; L567-F571 PolarHBondContact O-N 2.59Å; F571-V573 VanDerWaalsContact C-N 3.3Å; F571-V573 PolarHBondContact O-N 3.28Å; F571-E574 PolarHBondContact O-N 2.85Å; F571-A575 HydrophobicContact CE1-CB 4.08Å; F571-A575 HydrophobicContact CZ-CB 4.11Å; F571-A575 VanDerWaalsContact O-CB 3.24Å; F571-A575 WeakPolarHBondContact O-CB 3.5Å; F571-A575 PolarHBondContact O-N 2.63Å
572	C	98.8	Very high	98.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-36.6	-178.1	-76.3	0	0	0	0	112.4	M543 A568 N569 T570 Y576	M543-C572 HydrophobicContact CE-CB 3.99Å; A568-C572 WeakPolarHBondContact O-CB 3.48Å; A568-C572 PolarHBondContact O-N 3.3Å; A568-C572 PolarHBondContact O-SG 3.29Å; N569-C572 PolarHBondContact O-N 2.85Å; T570-C572 PolarHBondContact O-N 2.66Å; C572-Y576 WeakPolarHBondContact O-CB 3.35Å; C572-Y576 PolarHBondContact O-N 2.91Å
573	V	98.6	Very high	98.2	Very high	50 Å²	50	44 Å²	44	30%	0.303	22%	0.218	S	C	.	.	H	α-helix	trans	-66.7	-46.8	175.9	174.5	0	0	0	0	111.1	K500 N569 T570 F571 Y576 F577	K500-V573 HydrophobicContact CD-CG2 4.29Å; N569-V573 VanDerWaalsContact O-CG2 3.31Å; N569-V573 WeakPolarHBondContact O-CG2 3.44Å; N569-V573 PolarHBondContact O-N 3.31Å; T570-V573 PolarHBondContact O-N 3.08Å; F571-V573 VanDerWaalsContact C-N 3.3Å; F571-V573 PolarHBondContact O-N 3.28Å; V573-Y576 WeakPolarHBondContact O-CB 3.28Å; V573-Y576 PolarHBondContact O-N 2.89Å; V573-F577 HydrophobicContact CG1-CD2 4.01Å; V573-F577 HydrophobicContact CG1-CE2 3.75Å; V573-F577 VanDerWaalsContact O-CD2 3.23Å; V573-F577 WeakPolarHBondContact O-CD2 3.3Å; V573-F577 PolarHBondContact O-N 2.98Å
574	E	98.4	Very high	98	Very high	80 Å²	80	41.2 Å²	41.2	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-62.4	-48.9	178	-70.9	172	-164.7	0	0	111.8	Q351 T570 F571 Y576 F577 Q578	Q351-E574 PolarHBondContact NE2-OE1 3.1Å; Q351-E574 PolarHBondContact NE2-OE2 2.73Å; Q351-E574 VanDerWaalsContact NE2-OE2 3.12Å; Q351-E574 PolarHBondContact OE1-OE2 2.9Å; T570-E574 PolarHBondContact O-N 2.95Å; F571-E574 PolarHBondContact O-N 2.85Å; E574-Y576 VanDerWaalsContact C-N 3.27Å; E574-Y576 PolarHBondContact O-N 2.98Å; E574-F577 PolarHBondContact O-N 3.38Å; E574-Q578 VanDerWaalsContact O-CG 3.29Å; E574-Q578 WeakPolarHBondContact O-CG 3.12Å; E574-Q578 PolarHBondContact O-N 2.95Å
575	A	98.7	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-39.8	178.1	0	0	0	0	0	111.6	N539 M543 F571 Q578 N579	N539-A575 HydrophobicContact CB-CB 4.17Å; M543-A575 HydrophobicContact CG-CB 3.97Å; M543-A575 HydrophobicContact SD-CB 4.06Å; F571-A575 HydrophobicContact CE1-CB 4.08Å; F571-A575 HydrophobicContact CZ-CB 4.11Å; F571-A575 VanDerWaalsContact O-CB 3.24Å; F571-A575 WeakPolarHBondContact O-CB 3.5Å; F571-A575 PolarHBondContact O-N 2.63Å; A575-Q578 PolarHBondContact O-N 2.9Å; A575-N579 VanDerWaalsContact O-CB 3.28Å; A575-N579 WeakPolarHBondContact O-CB 3.43Å; A575-N579 PolarHBondContact O-N 3.04Å; A575-N579 PolarHBondContact O-ND2 3.45Å; A575-N579 PolarHBondContact O-OD1 2.76Å
576	Y	98.6	Very high	97.7	Very high	22 Å²	22	40.8 Å²	40.8	9%	0.086	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-52.2	178.4	172.9	-98.9	0	0	0	112.5	K500 E503 N504 C572 V573 E574 N579 L580	K500-Y576 HydrophobicContact CB-CD2 3.46Å; K500-Y576 VanDerWaalsContact CB-CD2 3.46Å; K500-Y576 HydrophobicContact CB-CE2 3.98Å; K500-Y576 HydrophobicContact CB-CG 3.86Å; K500-Y576 HydrophobicContact CD-CD1 3.99Å; K500-Y576 HydrophobicContact CD-CD2 4.23Å; K500-Y576 HydrophobicContact CD-CG 3.82Å; K500-Y576 HydrophobicContact CG-CD1 4.35Å; K500-Y576 HydrophobicContact CG-CD2 3.84Å; K500-Y576 HydrophobicContact CG-CE2 4.07Å; K500-Y576 HydrophobicContact CG-CG 3.97Å; K500-Y576 WeakPolarHBondContact O-CD2 3.43Å; E503-Y576 HydrophobicContact CB-CE2 4.32Å; E503-Y576 HydrophobicContact CG-CE2 4.31Å; E503-Y576 PolarHBondContact OE1-OH 2.98Å; E503-Y576 WeakPolarHBondContact OE2-CE2 3.31Å; E503-Y576 VanDerWaalsContact OE2-CZ 3.27Å; E503-Y576 PolarHBondContact OE2-OH 3Å; N504-Y576 WeakPolarHBondContact ND2-CD2 3.21Å; N504-Y576 WeakPolarHBondContact ND2-CE2 3.11Å; N504-Y576 WeakPolarHBondContact OD1-CA 3.43Å; C572-Y576 WeakPolarHBondContact O-CB 3.35Å; C572-Y576 PolarHBondContact O-N 2.91Å; V573-Y576 WeakPolarHBondContact O-CB 3.28Å; V573-Y576 PolarHBondContact O-N 2.89Å; E574-Y576 VanDerWaalsContact C-N 3.27Å; E574-Y576 PolarHBondContact O-N 2.98Å; Y576-N579 PolarHBondContact O-N 3.26Å; Y576-L580 HydrophobicContact CD1-CD1 4.1Å; Y576-L580 HydrophobicContact CE1-CD1 3.44Å; Y576-L580 VanDerWaalsContact CE1-CD1 3.44Å; Y576-L580 HydrophobicContact CE1-CG 4.29Å; Y576-L580 HydrophobicContact CE2-CD1 4.19Å; Y576-L580 HydrophobicContact CE2-CG 4.4Å; Y576-L580 WeakPolarHBondContact O-CG 3.4Å; Y576-L580 PolarHBondContact O-N 3.07Å
577	F	98.4	Very high	97.2	Very high	125 Å²	125	40.6 Å²	40.6	55%	0.548	21%	0.206	S	C	.	.	H	α-helix	trans	-70	-36.6	-178.9	-70.9	-63.7	0	0	0	112.5	V573 E574 N579 L580 F581	V573-F577 HydrophobicContact CG1-CD2 4.01Å; V573-F577 HydrophobicContact CG1-CE2 3.75Å; V573-F577 VanDerWaalsContact O-CD2 3.23Å; V573-F577 WeakPolarHBondContact O-CD2 3.3Å; V573-F577 PolarHBondContact O-N 2.98Å; E574-F577 PolarHBondContact O-N 3.38Å; F577-N579 VanDerWaalsContact C-N 3.3Å; F577-N579 PolarHBondContact O-N 2.61Å; F577-L580 HydrophobicContact CD1-CD1 4.49Å; F577-L580 PolarHBondContact O-N 3.29Å; F577-F581 PolarHBondContact O-N 3.44Å
578	Q	98.3	Very high	96.4	Very high	96 Å²	96	46.1 Å²	46.1	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-40.8	173.3	-72.5	174.9	10.5	0	0	112.1	E574 A575 S582	E574-Q578 VanDerWaalsContact O-CG 3.29Å; E574-Q578 WeakPolarHBondContact O-CG 3.12Å; E574-Q578 PolarHBondContact O-N 2.95Å; A575-Q578 PolarHBondContact O-N 2.9Å; Q578-S582 WeakPolarHBondContact O-CB 3.06Å; Q578-S582 PolarHBondContact O-N 3.33Å; Q578-S582 PolarHBondContact O-OG 3.44Å
579	N	98.5	Very high	95.7	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-44.5	177.6	-74.7	-10	0	0	0	111.5	N504 I536 N539 A575 Y576 F577 F581 S582 L583	N504-N579 WeakPolarHBondContact OD1-CB 3.41Å; N504-N579 PolarHBondContact OD1-ND2 3.46Å; I536-N579 WeakPolarHBondContact CA-OD1 3.35Å; I536-N579 HydrophobicContact CG2-CB 4.41Å; N539-N579 VanDerWaalsContact CB-OD1 3.25Å; N539-N579 WeakPolarHBondContact CB-OD1 3.37Å; N539-N579 PolarHBondContact ND2-OD1 3.43Å; A575-N579 VanDerWaalsContact O-CB 3.28Å; A575-N579 WeakPolarHBondContact O-CB 3.43Å; A575-N579 PolarHBondContact O-N 3.04Å; A575-N579 PolarHBondContact O-ND2 3.45Å; A575-N579 PolarHBondContact O-OD1 2.76Å; Y576-N579 PolarHBondContact O-N 3.26Å; F577-N579 VanDerWaalsContact C-N 3.3Å; F577-N579 PolarHBondContact O-N 2.61Å; N579-F581 VanDerWaalsContact C-N 3.31Å; N579-F581 PolarHBondContact O-N 3.37Å; N579-S582 PolarHBondContact O-N 2.97Å; N579-S582 VanDerWaalsContact O-N 3.14Å; N579-L583 WeakPolarHBondContact O-CB 3.21Å; N579-L583 WeakPolarHBondContact O-CG 3.31Å; N579-L583 PolarHBondContact O-N 3.3Å
580	L	96.6	Very high	95.2	Very high	54 Å²	54	53.6 Å²	53.6	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-58.1	-43.6	176.4	-72.8	-175.3	0	0	0	112	Y507 Y576 F577 L583 S584	Y507-L580 HydrophobicContact CD2-CD2 4.48Å; Y576-L580 HydrophobicContact CD1-CD1 4.1Å; Y576-L580 HydrophobicContact CE1-CD1 3.44Å; Y576-L580 VanDerWaalsContact CE1-CD1 3.44Å; Y576-L580 HydrophobicContact CE1-CG 4.29Å; Y576-L580 HydrophobicContact CE2-CD1 4.19Å; Y576-L580 HydrophobicContact CE2-CG 4.4Å; Y576-L580 WeakPolarHBondContact O-CG 3.4Å; Y576-L580 PolarHBondContact O-N 3.07Å; F577-L580 HydrophobicContact CD1-CD1 4.49Å; F577-L580 PolarHBondContact O-N 3.29Å; L580-L583 HydrophobicContact CD2-CD1 4.47Å; L580-L583 PolarHBondContact O-N 2.82Å; L580-S584 PolarHBondContact O-N 3.44Å
581	F	96.6	Very high	94.8	Very high	113 Å²	113	56.3 Å²	56.3	50%	0.496	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-40.8	175.1	-177.2	-103.8	0	0	0	112.3	F577 N579 L583 S584 Q585 E592	F577-F581 PolarHBondContact O-N 3.44Å; N579-F581 VanDerWaalsContact C-N 3.31Å; N579-F581 PolarHBondContact O-N 3.37Å; F581-L583 VanDerWaalsContact C-N 3.33Å; F581-L583 PolarHBondContact O-N 2.9Å; F581-S584 PolarHBondContact O-N 3.44Å; F581-S584 PolarHBondContact O-OG 3.13Å; F581-Q585 HydrophobicContact CE1-CG 4.43Å; F581-Q585 HydrophobicContact CZ-CG 4.49Å; F581-Q585 WeakPolarHBondContact O-CG 3.37Å; F581-Q585 PolarHBondContact O-N 3.07Å; F581-E592 HydrophobicContact CE2-CB 4.35Å; F581-E592 HydrophobicContact CE2-CG 4.27Å
582	S	96.9	Very high	94.4	Very high	20 Å²	20	60 Å²	60	14%	0.14	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-35.8	176.7	-60.5	0	0	0	0	112.2	Q578 N579 L586	Q578-S582 WeakPolarHBondContact O-CB 3.06Å; Q578-S582 PolarHBondContact O-N 3.33Å; Q578-S582 PolarHBondContact O-OG 3.44Å; N579-S582 PolarHBondContact O-N 2.97Å; N579-S582 VanDerWaalsContact O-N 3.14Å; S582-L586 WeakPolarHBondContact O-CG 3.41Å
583	L	95.6	Very high	94.1	Very high	12 Å²	12	61.8 Å²	61.8	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-43.6	175.9	-73.6	166	0	0	0	111	F508 T511 I536 N579 L580 F581 Q585 L586	F508-L583 HydrophobicContact CB-CD2 4.49Å; F508-L583 HydrophobicContact CD2-CD2 4.41Å; T511-L583 HydrophobicContact CG2-CD2 4.16Å; T511-L583 WeakPolarHBondContact OG1-CD2 3.41Å; I536-L583 HydrophobicContact CD1-CD2 3.77Å; I536-L583 HydrophobicContact CD1-CG 3.89Å; N579-L583 WeakPolarHBondContact O-CB 3.21Å; N579-L583 WeakPolarHBondContact O-CG 3.31Å; N579-L583 PolarHBondContact O-N 3.3Å; L580-L583 HydrophobicContact CD2-CD1 4.47Å; L580-L583 PolarHBondContact O-N 2.82Å; F581-L583 VanDerWaalsContact C-N 3.33Å; F581-L583 PolarHBondContact O-N 2.9Å; L583-Q585 VanDerWaalsContact C-N 3.28Å; L583-Q585 PolarHBondContact O-N 2.86Å; L583-L586 WeakPolarHBondContact O-CB 3.45Å; L583-L586 PolarHBondContact O-N 3.22Å
584	S	94.4	Very high	93.9	Very high	38 Å²	38	63.8 Å²	63.8	27%	0.266	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-38.2	177.7	72.2	0	0	0	0	111.8	L580 F581 L586 D587 A590	L580-S584 PolarHBondContact O-N 3.44Å; F581-S584 PolarHBondContact O-N 3.44Å; F581-S584 PolarHBondContact O-OG 3.13Å; S584-L586 PolarHBondContact O-N 3.48Å; S584-D587 PolarHBondContact O-N 3.13Å; S584-A590 WeakPolarHBondContact O-CB 3.19Å
585	Q	95.3	Very high	93.8	Very high	26 Å²	26	60.7 Å²	60.7	12%	0.121	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.8	175.6	-69.7	-173	-37.7	0	0	114.6	F581 L583 D587 E592 N593	F581-Q585 HydrophobicContact CE1-CG 4.43Å; F581-Q585 HydrophobicContact CZ-CG 4.49Å; F581-Q585 WeakPolarHBondContact O-CG 3.37Å; F581-Q585 PolarHBondContact O-N 3.07Å; L583-Q585 VanDerWaalsContact C-N 3.28Å; L583-Q585 PolarHBondContact O-N 2.86Å; Q585-D587 VanDerWaalsContact C-N 3.34Å; Q585-E592 HydrophobicContact CG-CB 3.96Å; Q585-E592 PolarHBondContact NE2-O 3.45Å; Q585-N593 PolarHBondContact O-ND2 3.33Å
586	L	95.2	Very high	93.6	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.016	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.3	-179.7	-71.2	168.7	0	0	0	112.8	T511 L515 R518 V529 R532 V533 I536 S582 L583 S584	T511-L586 HydrophobicContact CG2-CB 3.85Å; T511-L586 HydrophobicContact CG2-CD1 3.84Å; T511-L586 HydrophobicContact CG2-CG 4.49Å; L515-L586 HydrophobicContact CD1-CD2 4.39Å; R518-L586 PolarHBondContact NH1-O 3.02Å; R518-L586 PolarHBondContact NH2-O 3.12Å; V529-L586 HydrophobicContact CB-CD2 4.28Å; V529-L586 HydrophobicContact CG1-CD2 3.66Å; R532-L586 HydrophobicContact CB-CD1 4.41Å; R532-L586 HydrophobicContact CB-CD2 4.03Å; R532-L586 HydrophobicContact CB-CG 4.32Å; V533-L586 HydrophobicContact CG2-CD1 4.19Å; V533-L586 HydrophobicContact CG2-CD2 4.39Å; I536-L586 HydrophobicContact CD1-CD1 3.73Å; S582-L586 WeakPolarHBondContact O-CG 3.41Å; L583-L586 WeakPolarHBondContact O-CB 3.45Å; L583-L586 PolarHBondContact O-N 3.22Å; S584-L586 PolarHBondContact O-N 3.48Å
587	D	88.9	Confident	93.5	Very high	95 Å²	95	70 Å²	70	51%	0.508	34%	0.342	S	S	.	.	S	Bend	trans	-64.1	147.9	174.6	-81.4	-31.8	0	0	0	112.1	S584 Q585 Y589 A590	S584-D587 PolarHBondContact O-N 3.13Å; Q585-D587 VanDerWaalsContact C-N 3.34Å; D587-Y589 VanDerWaalsContact C-N 3.26Å; D587-Y589 PolarHBondContact O-N 3.32Å; D587-A590 HydrophobicContact CB-CB 4.15Å; D587-A590 PolarHBondContact O-N 3.02Å
588	K	81.1	Confident	93.4	Very high	134 Å²	134	68 Å²	68	58%	0.583	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.8	-169	-173.4	-179.8	177.3	-166.5	0	113.3	R518	R518-K588 VanDerWaalsContact NH1-CA 3.31Å
589	Y	84.6	Confident	93.3	Very high	186 Å²	186	68.8 Å²	68.8	73%	0.729	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	30	-175.5	-52.1	-61.7	0	0	0	111.2	D587 P591	D587-Y589 VanDerWaalsContact C-N 3.26Å; D587-Y589 PolarHBondContact O-N 3.32Å; Y589-P591 WeakPolarHBondContact O-CD 3.41Å
590	A	88.8	Confident	93.2	Very high	14 Å²	14	73.9 Å²	73.9	12%	0.116	36%	0.361	C	S	.	.			trans	-64	119.4	-179.8	0	0	0	0	0	110.2	S584 D587 E592 N593	S584-A590 WeakPolarHBondContact O-CB 3.19Å; D587-A590 HydrophobicContact CB-CB 4.15Å; D587-A590 PolarHBondContact O-N 3.02Å; A590-E592 PolarHBondContact O-N 2.81Å; A590-N593 HydrophobicContact CB-CB 4.11Å; A590-N593 WeakPolarHBondContact O-CB 3.43Å; A590-N593 PolarHBondContact O-N 3.08Å; A590-N593 VanDerWaalsContact O-N 3.1Å
591	P	89.2	Confident	93.2	Very high	111 Å²	111	75.3 Å²	75.3	72%	0.721	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21	177.7	25.8	-32.8	0	0	0	112.6	Y589 N593	Y589-P591 WeakPolarHBondContact O-CD 3.41Å; P591-N593 VanDerWaalsContact C-N 3.3Å
592	E	89.8	Confident	93.2	Very high	82 Å²	82	72.4 Å²	72.4	38%	0.383	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.9	176.8	-52.8	80	-176	0	0	113.2	F581 Q585 A590	F581-E592 HydrophobicContact CE2-CB 4.35Å; F581-E592 HydrophobicContact CE2-CG 4.27Å; Q585-E592 HydrophobicContact CG-CB 3.96Å; Q585-E592 PolarHBondContact NE2-O 3.45Å; A590-E592 PolarHBondContact O-N 2.81Å
593	N	93.8	Very high	93.3	Very high	37 Å²	37	76.6 Å²	76.6	20%	0.198	38%	0.383	C	S	.	.			trans	-82.1	119.2	178	-172.8	-27.8	0	0	0	110.7	Q585 A590 P591 D595	Q585-N593 PolarHBondContact O-ND2 3.33Å; A590-N593 HydrophobicContact CB-CB 4.11Å; A590-N593 WeakPolarHBondContact O-CB 3.43Å; A590-N593 PolarHBondContact O-N 3.08Å; A590-N593 VanDerWaalsContact O-N 3.1Å; P591-N593 VanDerWaalsContact C-N 3.3Å; N593-D595 WeakPolarHBondContact OD1-CB 3.44Å; N593-D595 PolarHBondContact OD1-N 2.71Å; N593-D595 PolarHBondContact OD1-OD1 3.03Å; N593-D595 PolarHBondContact OD1-OD2 3.13Å
594	L	95.1	Very high	93.3	Very high	91 Å²	91	81 Å²	81	48%	0.476	40%	0.403	S	S	.	.			trans	-105.9	14.9	-177.3	-59.1	179.2	0	0	0	113.9	E596 Q597 I598	L594-E596 VanDerWaalsContact C-N 3.31Å; L594-E596 PolarHBondContact O-N 3.39Å; L594-Q597 VanDerWaalsContact C-OE1 3.31Å; L594-Q597 VanDerWaalsContact CA-OE1 3.31Å; L594-Q597 PolarHBondContact O-N 3.13Å; L594-Q597 PolarHBondContact O-OE1 3.17Å; L594-I598 HydrophobicContact CB-CD1 4.3Å; L594-I598 HydrophobicContact CB-CG1 4.47Å; L594-I598 VanDerWaalsContact O-CG1 3.27Å; L594-I598 WeakPolarHBondContact O-CG1 3.46Å; L594-I598 PolarHBondContact O-N 3.39Å
595	D	95.5	Very high	93.4	Very high	15 Å²	15	82.5 Å²	82.5	8%	0.08	41%	0.407	C	S	.	.	H	α-helix	trans	-60.3	-39.3	-171.3	-74	-8.5	0	0	0	112.6	L528 R532 N593 K599	L528-D595 WeakPolarHBondContact CB-OD1 3.23Å; L528-D595 HydrophobicContact CD1-CB 3.82Å; L528-D595 VanDerWaalsContact CD1-OD1 3.28Å; L528-D595 WeakPolarHBondContact CD1-OD1 3.49Å; R532-D595 IonicContact CZ-OD1 3.97Å; R532-D595 IonicContact CZ-OD2 3.73Å; R532-D595 IonicContact NH1-OD1 2.56Å; R532-D595 PolarHBondContact NH1-OD1 3.31Å; R532-D595 IonicContact NH1-OD2 2.73Å; R532-D595 PolarHBondContact NH1-OD2 3.26Å; R532-D595 IonicContact NH2-OD1 3.04Å; R532-D595 PolarHBondContact NH2-OD1 2.82Å; N593-D595 WeakPolarHBondContact OD1-CB 3.44Å; N593-D595 PolarHBondContact OD1-N 2.71Å; N593-D595 PolarHBondContact OD1-OD1 3.03Å; N593-D595 PolarHBondContact OD1-OD2 3.13Å; D595-K599 VanDerWaalsContact O-CG 3.32Å; D595-K599 WeakPolarHBondContact O-CG 3.45Å; D595-K599 PolarHBondContact O-N 2.93Å; D595-K599 VanDerWaalsContact O-N 3.08Å
596	E	94.5	Very high	93.5	Very high	117 Å²	117	86.8 Å²	86.8	55%	0.547	43%	0.43	S	S	.	.	H	α-helix	trans	-68.2	-42.5	177.6	-170	-176.8	164.9	0	0	111.7	L594 K599 K600	L594-E596 VanDerWaalsContact C-N 3.31Å; L594-E596 PolarHBondContact O-N 3.39Å; E596-K599 PolarHBondContact O-N 3.13Å; E596-K600 HydrophobicContact CG-CD 4.37Å; E596-K600 WeakPolarHBondContact O-CG 3.45Å; E596-K600 PolarHBondContact O-N 2.8Å; E596-K600 WeakPolarHBondContact OE1-CE 3.4Å; E596-K600 IonicContact OE1-NZ 3.3Å; E596-K600 PolarHBondContact OE1-NZ 3.37Å
597	Q	95.8	Very high	93.6	Very high	100 Å²	100	92.7 Å²	92.7	47%	0.467	46%	0.458	S	S	.	.	H	α-helix	trans	-63.6	-44.1	177.6	-66.4	79.8	-6.3	0	0	110.5	L594 K599 K600 V601	L594-Q597 VanDerWaalsContact C-OE1 3.31Å; L594-Q597 VanDerWaalsContact CA-OE1 3.31Å; L594-Q597 PolarHBondContact O-N 3.13Å; L594-Q597 PolarHBondContact O-OE1 3.17Å; Q597-K599 VanDerWaalsContact C-N 3.33Å; Q597-K599 PolarHBondContact O-N 3.03Å; Q597-K600 PolarHBondContact O-N 2.89Å; Q597-V601 WeakPolarHBondContact O-CB 3.32Å; Q597-V601 WeakPolarHBondContact O-CG2 3.37Å; Q597-V601 PolarHBondContact O-N 3.16Å
598	I	96.6	Very high	94	Very high	83 Å²	83	95.3 Å²	95.3	43%	0.426	47%	0.465	S	S	.	.	H	α-helix	trans	-57.6	-47.3	175.2	-70.2	164.7	0	0	0	110.3	L528 L594 S602	L528-I598 HydrophobicContact CD1-CB 4.5Å; L528-I598 HydrophobicContact CD1-CD1 4.46Å; L528-I598 HydrophobicContact CD1-CG2 4.26Å; L594-I598 HydrophobicContact CB-CD1 4.3Å; L594-I598 HydrophobicContact CB-CG1 4.47Å; L594-I598 VanDerWaalsContact O-CG1 3.27Å; L594-I598 WeakPolarHBondContact O-CG1 3.46Å; L594-I598 PolarHBondContact O-N 3.39Å; I598-S602 WeakPolarHBondContact O-CB 3.46Å; I598-S602 PolarHBondContact O-N 3.38Å
599	K	96.6	Very high	94.8	Very high	113 Å²	113	100 Å²	100	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-61.8	-45.8	178.4	-73.5	173.7	-177.8	179	0	111.7	D595 E596 Q597 S602 Q603	D595-K599 VanDerWaalsContact O-CG 3.32Å; D595-K599 WeakPolarHBondContact O-CG 3.45Å; D595-K599 PolarHBondContact O-N 2.93Å; D595-K599 VanDerWaalsContact O-N 3.08Å; E596-K599 PolarHBondContact O-N 3.13Å; Q597-K599 VanDerWaalsContact C-N 3.33Å; Q597-K599 PolarHBondContact O-N 3.03Å; K599-S602 PolarHBondContact O-N 3.36Å; K599-Q603 VanDerWaalsContact O-CB 3.31Å; K599-Q603 WeakPolarHBondContact O-CB 3.39Å; K599-Q603 PolarHBondContact O-N 3.41Å
600	K	96.6	Very high	95.3	Very high	108 Å²	108	93.4 Å²	93.4	47%	0.47	46%	0.463	S	S	.	.	H	α-helix	trans	-63.1	-47.6	179	-74.4	176.8	-178.1	170.8	0	112.7	E596 Q597 S602 Q603 Q604	E596-K600 HydrophobicContact CG-CD 4.37Å; E596-K600 WeakPolarHBondContact O-CG 3.45Å; E596-K600 PolarHBondContact O-N 2.8Å; E596-K600 WeakPolarHBondContact OE1-CE 3.4Å; E596-K600 IonicContact OE1-NZ 3.3Å; E596-K600 PolarHBondContact OE1-NZ 3.37Å; Q597-K600 PolarHBondContact O-N 2.89Å; K600-S602 VanDerWaalsContact C-N 3.35Å; K600-Q603 PolarHBondContact O-N 2.95Å; K600-Q604 WeakPolarHBondContact O-CG 3.49Å; K600-Q604 PolarHBondContact O-N 2.76Å
601	V	96.9	Very high	95.6	Very high	84 Å²	84	101.5 Å²	101.5	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-46.3	177.9	171.4	0	0	0	0	110.3	Q597 Q603 Q604 I605	Q597-V601 WeakPolarHBondContact O-CB 3.32Å; Q597-V601 WeakPolarHBondContact O-CG2 3.37Å; Q597-V601 PolarHBondContact O-N 3.16Å; V601-Q603 PolarHBondContact O-N 3.3Å; V601-Q604 PolarHBondContact O-N 3.13Å; V601-I605 HydrophobicContact CG1-CD1 4.01Å; V601-I605 WeakPolarHBondContact O-CG1 3.42Å; V601-I605 PolarHBondContact O-N 3.1Å
602	S	97.1	Very high	95.8	Very high	52 Å²	52	99.9 Å²	99.9	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-46.4	178	-176.8	0	0	0	0	112	I598 K599 K600 Q604 I605 L606	I598-S602 WeakPolarHBondContact O-CB 3.46Å; I598-S602 PolarHBondContact O-N 3.38Å; K599-S602 PolarHBondContact O-N 3.36Å; K600-S602 VanDerWaalsContact C-N 3.35Å; S602-Q604 VanDerWaalsContact C-N 3.33Å; S602-Q604 PolarHBondContact O-N 3.04Å; S602-I605 PolarHBondContact O-N 2.81Å; S602-L606 WeakPolarHBondContact O-CB 3.47Å; S602-L606 VanDerWaalsContact O-CG 3.25Å; S602-L606 WeakPolarHBondContact O-CG 3.48Å; S602-L606 PolarHBondContact O-N 3.28Å; S602-L606 WeakPolarHBondContact OG-CD1 3.4Å
603	Q	97.3	Very high	95.9	Very high	107 Å²	107	99.5 Å²	99.5	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-55.6	-47.4	179.3	-179.7	175.6	7.4	0	0	111.8	K599 K600 V601 I605 L606 E607	K599-Q603 VanDerWaalsContact O-CB 3.31Å; K599-Q603 WeakPolarHBondContact O-CB 3.39Å; K599-Q603 PolarHBondContact O-N 3.41Å; K600-Q603 PolarHBondContact O-N 2.95Å; V601-Q603 PolarHBondContact O-N 3.3Å; Q603-I605 PolarHBondContact O-N 3.44Å; Q603-L606 PolarHBondContact O-N 3.36Å; Q603-E607 HydrophobicContact CG-CG 4.2Å; Q603-E607 WeakPolarHBondContact CG-OE1 3.49Å; Q603-E607 PolarHBondContact NE2-OE1 3.05Å; Q603-E607 WeakPolarHBondContact O-CB 3.18Å; Q603-E607 VanDerWaalsContact O-CG 3.29Å; Q603-E607 WeakPolarHBondContact O-CG 3.47Å; Q603-E607 PolarHBondContact O-N 2.77Å
604	Q	96.4	Very high	95.9	Very high	105 Å²	105	101.1 Å²	101.1	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-43.1	179.7	-70.2	-179.6	-5.1	0	0	112.5	K600 V601 S602 K608 I612	K600-Q604 WeakPolarHBondContact O-CG 3.49Å; K600-Q604 PolarHBondContact O-N 2.76Å; V601-Q604 PolarHBondContact O-N 3.13Å; S602-Q604 VanDerWaalsContact C-N 3.33Å; S602-Q604 PolarHBondContact O-N 3.04Å; Q604-K608 WeakPolarHBondContact O-CB 3.32Å; Q604-K608 WeakPolarHBondContact O-CG 3.11Å; Q604-K608 PolarHBondContact O-N 3.26Å; Q604-I612 HydrophobicContact CB-CD1 3.89Å
605	I	97.3	Very high	95.9	Very high	70 Å²	70	102.2 Å²	102.2	36%	0.359	50%	0.502	S	S	.	.	H	α-helix	trans	-65.7	-44	177.9	-66.7	170.4	0	0	0	110.6	V601 S602 Q603 K608 R609 A610	V601-I605 HydrophobicContact CG1-CD1 4.01Å; V601-I605 WeakPolarHBondContact O-CG1 3.42Å; V601-I605 PolarHBondContact O-N 3.1Å; S602-I605 PolarHBondContact O-N 2.81Å; Q603-I605 PolarHBondContact O-N 3.44Å; I605-K608 PolarHBondContact O-N 3.43Å; I605-R609 VanDerWaalsContact O-CA 3.26Å; I605-R609 WeakPolarHBondContact O-CA 3.17Å; I605-R609 PolarHBondContact O-N 3.42Å; I605-A610 PolarHBondContact O-N 3.25Å
606	L	97.2	Very high	95.9	Very high	116 Å²	116	107.4 Å²	107.4	61%	0.607	54%	0.537	S	S	*	.	H	α-helix	trans	-72.5	-39.7	-175.3	-69.1	174.3	0	0	0	112.9	S602 Q603 K608 R609	S602-L606 WeakPolarHBondContact O-CB 3.47Å; S602-L606 VanDerWaalsContact O-CG 3.25Å; S602-L606 WeakPolarHBondContact O-CG 3.48Å; S602-L606 PolarHBondContact O-N 3.28Å; S602-L606 WeakPolarHBondContact OG-CD1 3.4Å; Q603-L606 PolarHBondContact O-N 3.36Å; L606-K608 VanDerWaalsContact C-N 3.3Å; L606-K608 PolarHBondContact O-N 3.13Å; L606-R609 WeakPolarHBondContact O-CG 3.48Å; L606-R609 PolarHBondContact O-N 3.32Å
607	E	97	Very high	95.9	Very high	126 Å²	126	108 Å²	108	59%	0.589	54%	0.543	S	S	*	.	H	α-helix	trans	-63	-38.3	175.4	-75.5	176	-178.4	0	0	111.6	Q603	Q603-E607 HydrophobicContact CG-CG 4.2Å; Q603-E607 WeakPolarHBondContact CG-OE1 3.49Å; Q603-E607 PolarHBondContact NE2-OE1 3.05Å; Q603-E607 WeakPolarHBondContact O-CB 3.18Å; Q603-E607 VanDerWaalsContact O-CG 3.29Å; Q603-E607 WeakPolarHBondContact O-CG 3.47Å; Q603-E607 PolarHBondContact O-N 2.77Å
608	K	96.7	Very high	95.9	Very high	150 Å²	150	108 Å²	108	65%	0.652	55%	0.547	S	S	*	.	H	α-helix	trans	-88.1	-16.7	179.1	-61.3	-60.6	-176.6	-179.2	0	113.8	Q604 I605 L606 A610 I612	Q604-K608 WeakPolarHBondContact O-CB 3.32Å; Q604-K608 WeakPolarHBondContact O-CG 3.11Å; Q604-K608 PolarHBondContact O-N 3.26Å; I605-K608 PolarHBondContact O-N 3.43Å; L606-K608 VanDerWaalsContact C-N 3.3Å; L606-K608 PolarHBondContact O-N 3.13Å; K608-A610 PolarHBondContact O-N 3.1Å; K608-I612 HydrophobicContact CB-CG2 3.76Å; K608-I612 HydrophobicContact CG-CG2 3.82Å
609	R	97.1	Very high	95.2	Very high	233 Å²	233	115.4 Å²	115.4	88%	0.879	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.7	36.4	-171.9	-54.8	177.6	-176.7	171.6	0	112.4	I605 L606	I605-R609 VanDerWaalsContact O-CA 3.26Å; I605-R609 WeakPolarHBondContact O-CA 3.17Å; I605-R609 PolarHBondContact O-N 3.42Å; L606-R609 WeakPolarHBondContact O-CG 3.48Å; L606-R609 PolarHBondContact O-N 3.32Å
610	A	96.1	Very high	94.1	Very high	47 Å²	47	116.1 Å²	116.1	39%	0.388	58%	0.583	S	S	.	*	S	Bend	trans	-154.6	158.6	-174.2	0	0	0	0	0	112.2	I605 K608 I612	I605-A610 PolarHBondContact O-N 3.25Å; K608-A610 PolarHBondContact O-N 3.1Å; A610-I612 WeakPolarHBondContact O-CG2 3.34Å; A610-I612 PolarHBondContact O-N 2.82Å
611	Y	94.7	Very high	92.3	Very high	184 Å²	184	120.8 Å²	120.8	72%	0.722	63%	0.627	S	S	*	*			trans	-72.4	119.2	160.8	176.9	-110.5	0	0	0	108.5	C613	Y611-C613 HydrophobicContact CE1-CB 3.76Å; Y611-C613 WeakPolarHBondContact CE1-O 3.36Å; Y611-C613 HydrophobicContact CE2-CB 4.11Å; Y611-C613 VanDerWaalsContact CZ-CB 3.5Å; Y611-C613 WeakPolarHBondContact OH-CB 3.49Å
612	I	93.4	Very high	92.1	Very high	77 Å²	77	122.6 Å²	122.6	40%	0.395	63%	0.633	S	S	.	*			trans	-97.2	-12.6	-165.2	61.2	158.4	0	0	0	114.7	Q604 K608 A610 A614	Q604-I612 HydrophobicContact CB-CD1 3.89Å; K608-I612 HydrophobicContact CB-CG2 3.76Å; K608-I612 HydrophobicContact CG-CG2 3.82Å; A610-I612 WeakPolarHBondContact O-CG2 3.34Å; A610-I612 PolarHBondContact O-N 2.82Å; I612-A614 PolarHBondContact O-N 3.45Å
613	C	93.1	Very high	91.8	Very high	74 Å²	74	126.3 Å²	126.3	50%	0.5	65%	0.647	S	S	.	*	S	Bend	trans	-71.6	131.5	179.1	-55.3	0	0	0	0	108.9	Y611	Y611-C613 HydrophobicContact CE1-CB 3.76Å; Y611-C613 WeakPolarHBondContact CE1-O 3.36Å; Y611-C613 HydrophobicContact CE2-CB 4.11Å; Y611-C613 VanDerWaalsContact CZ-CB 3.5Å; Y611-C613 WeakPolarHBondContact OH-CB 3.49Å
614	A	92.6	Very high	91.5	Very high	71 Å²	71	127.4 Å²	127.4	59%	0.587	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-58.4	154.2	171.9	0	0	0	0	0	110.6	I612 D618	I612-A614 PolarHBondContact O-N 3.45Å; A614-D618 HydrophobicContact CB-CB 4.27Å
615	H	95.1	Very high	91.2	Very high	114 Å²	114	128.7 Å²	128.7	53%	0.528	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-64.1	141.3	173.3	-172.7	-89	0	0	0	108.6	L617 D618	H615-L617 WeakPolarHBondContact ND1-CB 3.41Å; H615-L617 PolarHBondContact ND1-N 3.42Å; H615-L617 PolarHBondContact O-N 2.96Å; H615-D618 WeakPolarHBondContact CB-OD2 3.41Å; H615-D618 PolarHBondContact N-OD2 3.36Å; H615-D618 WeakPolarHBondContact O-CB 3.26Å; H615-D618 PolarHBondContact O-N 2.96Å
616	P	96	Very high	90.9	Very high	124 Å²	124	132.4 Å²	132.4	81%	0.805	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-6.9	-178.3	-27.4	35.6	0	0	0	116.3
617	L	94.9	Very high	90.4	Very high	130 Å²	130	133.5 Å²	133.5	68%	0.681	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-6.8	177.2	-59.9	179.5	0	0	0	113.3	H615 R619	H615-L617 WeakPolarHBondContact ND1-CB 3.41Å; H615-L617 PolarHBondContact ND1-N 3.42Å; H615-L617 PolarHBondContact O-N 2.96Å; L617-R619 WeakPolarHBondContact O-CG 3.28Å; L617-R619 PolarHBondContact O-N 3.07Å
618	D	94.2	Very high	90	Very high	101 Å²	101	134 Å²	134	54%	0.54	70%	0.696	S	S	.	*			trans	-71.3	120.2	179.4	-62	-21.6	0	0	0	108.7	A614 H615	A614-D618 HydrophobicContact CB-CB 4.27Å; H615-D618 WeakPolarHBondContact CB-OD2 3.41Å; H615-D618 PolarHBondContact N-OD2 3.36Å; H615-D618 WeakPolarHBondContact O-CB 3.26Å; H615-D618 PolarHBondContact O-N 2.96Å
619	R	82.8	Confident	89.4	Confident	237 Å²	237	132.8 Å²	132.8	89%	0.894	70%	0.7	S	S	*	*			trans	-100	-4.7	-172.2	-64.3	-157.5	179	-160.8	0.3	114.8	L617	L617-R619 WeakPolarHBondContact O-CG 3.28Å; L617-R619 PolarHBondContact O-N 3.07Å
620	T	73.8	Confident	88.8	Confident	128 Å²	128	124.4 Å²	124.4	79%	0.785	69%	0.685	S	S	*	*			trans	-156.2	147.2	175.4	45.5	0	0	0	0	108.9
621	C	59	Low	88.1	Confident	206 Å²	206	131.5 Å²	131.5	100%	1.392	71%	0.712	S	S	*	*			trans	-57.8	0	173.3	-53.8	0	0	0	0	113

Retrieved 621 of 621 residues in 349.4 ms (Link to these results)

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