A0A3B3VBV3_9TELE Loading...

Alanine--glyoxylate aminotransferase 2, mitochondrial

Multifunctional aminotransferase with a broad substrate specificity. Catalyzes the conversion of glyoxylate to glycine using alanine as the amino donor. Catalyzes metabolism of not L- but the D-isomer of D-beta-aminoisobutyric acid to generate 2-methyl-3-oxopropanoate and alanine. Catalyzes the transfer of the amino group from beta-alanine to pyruvate to yield L-alanine and 3-oxopropanoate. Can metabolize NG-monomethyl-L-arginine (NMMA), asymmetric NG,NG-dimethyl-L-arginine (ADMA) and symmetric NG,N'G-dimethyl-L-arginine (SDMA). ADMA is a potent inhibitor of nitric-oxide (NO) synthase, and this activity provides mechanism through which the kidney regulates blood pressure.

AlphaFold DB , UniProt , Accession A0A3B3VBV3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 517 aa.

Structure Viewer

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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	33.7	Very low	28.8	Very low	239 Å²	239	143.1 Å²	143.1	100%	1.177	84%	0.835	S	S	*	*				0	120.3	0	-74.4	176.4	-176.7	0	0	106.8
2	L	31.7	Very low	28.6	Very low	167 Å²	167	149.8 Å²	149.8	87%	0.874	84%	0.836	S	S	*	*			cis	-132.7	152.8	-4.7	-108	95.8	0	0	0	109.9
3	K	28.7	Very low	28.5	Very low	180 Å²	180	146.5 Å²	146.5	78%	0.783	84%	0.84	S	S	*	*			trans	-59.5	162.3	157.9	-72.9	172.1	168.6	177.1	0	110.5
4	V	28	Very low	28.3	Very low	128 Å²	128	140.8 Å²	140.8	78%	0.776	83%	0.829	S	S	*	*				-177.2	123.9	85.1	156.9	0	0	0	0	105
5	V	30.3	Very low	28.2	Very low	123 Å²	123	144.3 Å²	144.3	75%	0.745	83%	0.83	S	S	*	*				68.9	108.5	61	-177.4	0	0	0	0	115.1
6	S	27.2	Very low	28.3	Very low	123 Å²	123	143.1 Å²	143.1	86%	0.86	83%	0.826	S	S	*	*			trans	-152.5	151	137.5	79.4	0	0	0	0	111.1
7	C	26.7	Very low	28.2	Very low	125 Å²	125	139 Å²	139	85%	0.845	82%	0.822	S	S	*	*			trans	-149.8	139.2	-172.7	-177.5	0	0	0	0	109.1
8	A	28.8	Very low	28.2	Very low	86 Å²	86	142 Å²	142	71%	0.711	83%	0.826	S	S	*	*			trans	178.3	122.2	158.3	0	0	0	0	0	107.2
9	S	29	Very low	28.4	Very low	117 Å²	117	140.3 Å²	140.3	82%	0.818	82%	0.82	S	S	*	*			cis	87.9	117	43.1	78.3	0	0	0	0	114
10	G	24.8	Very low	28.4	Very low	79 Å²	79	141.7 Å²	141.7	81%	0.814	82%	0.822	S	S	*	*			trans	-154.9	127.1	174	0	0	0	0	0	113
11	R	27.7	Very low	28.3	Very low	207 Å²	207	145.7 Å²	145.7	78%	0.781	83%	0.825	S	S	*	*			trans	-132.4	162.2	-176.3	-72.7	-164.4	-174.4	-159.4	7.9	109
12	W	26.4	Very low	27.9	Very low	223 Å²	223	145.4 Å²	145.4	85%	0.845	81%	0.811	S	S	*	*			cis	-162.3	147.8	-4.4	-123.8	18.5	0	0	0	107.6
13	A	27.8	Very low	27.7	Very low	108 Å²	108	143.3 Å²	143.3	89%	0.893	81%	0.807	S	S	*	*			trans	-162.9	140.6	158.5	0	0	0	0	0	112.7
14	G	24.8	Very low	27.5	Very low	66 Å²	66	143.9 Å²	143.9	68%	0.68	81%	0.813	S	S	*	*			trans	-151.2	157.1	167.9	0	0	0	0	0	110.3
15	F	27.8	Very low	27.5	Very low	193 Å²	193	145.9 Å²	145.9	85%	0.846	82%	0.818	S	S	*	*			trans	-149.1	131.4	173	-99.8	-84.2	0	0	0	110.8
16	T	29.3	Very low	27.3	Very low	126 Å²	126	145.4 Å²	145.4	77%	0.773	82%	0.82	S	S	*	*			trans	28.5	122.9	146.4	56	0	0	0	0	119.2
17	G	26.2	Very low	27.2	Very low	73 Å²	73	143.8 Å²	143.8	75%	0.753	82%	0.815	S	S	*	*				77.4	123.8	69.5	0	0	0	0	0	110.7
18	H	28.2	Very low	27.1	Very low	193 Å²	193	146.4 Å²	146.4	89%	0.894	81%	0.812	S	S	*	*			cis	-153.3	-167.2	31.6	-124.2	-17.5	0	0	0	111.7
19	P	32.5	Very low	27	Very low	110 Å²	110	149.4 Å²	149.4	71%	0.714	81%	0.814	S	S	*	*			trans	-104.1	161.3	-142.2	41.6	-37.2	0	0	0	117.3
20	I	29.5	Very low	26.8	Very low	167 Å²	167	152 Å²	152	86%	0.856	81%	0.813	S	S	*	*			trans	-134.2	136.4	159.7	-59.8	-177.8	0	0	0	110.9
21	Y	24.9	Very low	26.9	Very low	227 Å²	227	155.7 Å²	155.7	89%	0.89	81%	0.813	S	S	*	*			trans	-21	134.9	176.4	-90.8	-116.3	0	0	0	119.7
22	R	26	Very low	26.8	Very low	233 Å²	233	150.6 Å²	150.6	88%	0.879	82%	0.815	S	S	*	*			trans	-107.4	136.2	152.7	-84.1	-172.9	173.9	-171.9	-1.4	110.1
23	P	28.1	Very low	27	Very low	123 Å²	123	145.2 Å²	145.2	80%	0.799	81%	0.812	S	S	*	*			trans	-71.9	142.9	160.7	-8.9	25.4	0	0	0	110.4
24	Q	24.6	Very low	27.1	Very low	192 Å²	192	143.8 Å²	143.8	90%	0.897	81%	0.808	S	S	*	*			trans	-76.1	128.9	171.3	-68.4	171.9	-29.2	0	0	110.2
25	L	27.2	Very low	27.4	Very low	170 Å²	170	145.6 Å²	145.6	89%	0.89	82%	0.816	S	S	*	*			trans	-122.5	114.9	154.7	-125.2	84.8	0	0	0	108	A27	L25-A27 PolarHBondContact O-N 3.08Å; L25-A27 VanDerWaalsContact O-N 3.1Å
26	S	26	Very low	27.4	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	81%	0.808	S	S	*	*			trans	-78.3	92.7	-178	58.8	0	0	0	0	111.1	K28	S26-K28 PolarHBondContact O-N 3.03Å
27	A	25.9	Very low	27.6	Very low	90 Å²	90	141.3 Å²	141.3	74%	0.744	81%	0.813	S	S	*	*			trans	-72.8	102.9	164.7	0	0	0	0	0	109.3	L25 I29	L25-A27 PolarHBondContact O-N 3.08Å; L25-A27 VanDerWaalsContact O-N 3.1Å; A27-I29 PolarHBondContact O-N 3.14Å
28	K	24.8	Very low	27.9	Very low	180 Å²	180	145.8 Å²	145.8	78%	0.783	82%	0.815	S	S	*	*			trans	-65.7	104.7	170.2	-77.3	-177.1	176.2	179	0	109.1	S26 H30	S26-K28 PolarHBondContact O-N 3.03Å; K28-H30 PolarHBondContact O-N 3.15Å
29	I	25.8	Very low	28.6	Very low	148 Å²	148	145.8 Å²	145.8	76%	0.759	81%	0.812	S	S	*	*			trans	-71.8	96	169.2	-60	173.8	0	0	0	107.5	A27 L31	A27-I29 PolarHBondContact O-N 3.14Å; I29-L31 HydrophobicContact CG2-CG 4.47Å; I29-L31 PolarHBondContact O-N 3.32Å; I29-L31 VanDerWaalsContact O-N 3.08Å
30	H	24.7	Very low	29.5	Very low	171 Å²	171	144.2 Å²	144.2	79%	0.792	80%	0.804	S	S	*	*			trans	-73.1	95.3	163.5	-88.5	-74.5	0	0	0	108.6	K28 A32	K28-H30 PolarHBondContact O-N 3.15Å; H30-A32 PolarHBondContact O-N 2.8Å; H30-A32 VanDerWaalsContact O-N 3.14Å
31	L	26.3	Very low	31.3	Very low	158 Å²	158	143.2 Å²	143.2	83%	0.827	80%	0.8	S	S	*	*			trans	-56.6	113.1	161.2	-86.6	144.7	0	0	0	108.2	I29 S33	I29-L31 HydrophobicContact CG2-CG 4.47Å; I29-L31 PolarHBondContact O-N 3.32Å; I29-L31 VanDerWaalsContact O-N 3.08Å; L31-S33 PolarHBondContact O-N 3.1Å
32	A	26.6	Very low	33.6	Very low	100 Å²	100	135 Å²	135	83%	0.826	77%	0.771	S	S	*	*			trans	-67	103.8	172.5	0	0	0	0	0	108.7	H30 G34	H30-A32 PolarHBondContact O-N 2.8Å; H30-A32 VanDerWaalsContact O-N 3.14Å; A32-G34 PolarHBondContact O-N 3.22Å
33	S	29.6	Very low	35.7	Very low	110 Å²	110	129.9 Å²	129.9	77%	0.769	75%	0.752	S	S	*	*			trans	-58.8	124.9	168	51.4	0	0	0	0	108.9	L31 A35	L31-S33 PolarHBondContact O-N 3.1Å; S33-A35 PolarHBondContact O-N 2.98Å; S33-A35 VanDerWaalsContact O-N 3.15Å
34	G	31.4	Very low	37.9	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	72%	0.722	S	S	*	*			trans	-56	120.7	177.1	0	0	0	0	0	110.5	A32 S36	A32-G34 PolarHBondContact O-N 3.22Å; G34-S36 PolarHBondContact O-N 3.18Å; G34-S36 VanDerWaalsContact O-N 3.1Å
35	A	29.3	Very low	40.3	Very low	103 Å²	103	119.3 Å²	119.3	85%	0.851	70%	0.697	S	S	*	*			trans	-64.5	111.8	174.4	0	0	0	0	0	108.5	S33	S33-A35 PolarHBondContact O-N 2.98Å; S33-A35 VanDerWaalsContact O-N 3.15Å
36	S	28.1	Very low	42.5	Very low	99 Å²	99	114.3 Å²	114.3	69%	0.692	67%	0.669	S	S	*	*			trans	-63.2	143.2	165.8	68.9	0	0	0	0	108.2	G34 Q38	G34-S36 PolarHBondContact O-N 3.18Å; G34-S36 VanDerWaalsContact O-N 3.1Å; S36-Q38 PolarHBondContact O-N 3.1Å
37	C	33.8	Very low	44.7	Very low	130 Å²	130	113 Å²	113	88%	0.878	66%	0.656	S	S	*	*			trans	-73.6	81.1	179.5	-162.1	0	0	0	0	109.2	K39	C37-K39 PolarHBondContact O-N 3.1Å
38	Q	33.2	Very low	47	Very low	168 Å²	168	113.7 Å²	113.7	79%	0.785	65%	0.648	S	S	*	*			trans	-60	119	162.2	-75.9	-172.8	-29.1	0	0	107.1	S36 S40	S36-Q38 PolarHBondContact O-N 3.1Å; Q38-S40 PolarHBondContact O-N 3.18Å
39	K	42.4	Very low	49.8	Very low	193 Å²	193	108.2 Å²	108.2	84%	0.839	63%	0.627	S	S	*	*			trans	-57.7	109.6	164.2	-71.1	179.8	176	-179.5	0	106.2	C37 D41	C37-K39 PolarHBondContact O-N 3.1Å; K39-D41 PolarHBondContact O-N 3.06Å
40	S	51	Low	52.7	Low	77 Å²	77	103.6 Å²	103.6	54%	0.538	61%	0.606	S	S	.	*			trans	-69.1	114.6	177	61.4	0	0	0	0	108.2	Q38	Q38-S40 PolarHBondContact O-N 3.18Å
41	D	68.8	Low	55.9	Low	145 Å²	145	104.3 Å²	104.3	78%	0.775	61%	0.61	S	S	*	*			trans	-57.3	142.9	178.9	-66.5	-48.6	0	0	0	111.1	K39 R43	K39-D41 PolarHBondContact O-N 3.06Å; D41-R43 PolarHBondContact O-N 3.03Å
42	L	73	Confident	59.2	Low	54 Å²	54	98.4 Å²	98.4	28%	0.283	58%	0.578	S	S	.	*			trans	-68.9	131.2	172.6	-74.6	-175.4	0	0	0	109.3	F44 K425 L426 K429	L42-F44 PolarHBondContact O-N 3.48Å; L42-K425 HydrophobicContact CD2-CB 3.61Å; L42-K425 HydrophobicContact CD2-CD 4.45Å; L42-L426 HydrophobicContact CD1-CD2 4.02Å; L42-L426 HydrophobicContact CD2-CD2 3.78Å; L42-K429 HydrophobicContact CD1-CD 3.44Å; L42-K429 VanDerWaalsContact CD1-CD 3.44Å
43	R	70.3	Confident	62.6	Low	126 Å²	126	94.8 Å²	94.8	48%	0.475	55%	0.546	S	S	.	.	S	Bend	trans	-65.5	-23.8	-179.6	-170.1	171.1	178.4	-143.2	-19.9	113.2	D41 Y418 D500	D41-R43 PolarHBondContact O-N 3.03Å; R43-Y418 PolarHBondContact NH1-OH 3.04Å; R43-D500 IonicContact CZ-OD1 3.62Å; R43-D500 IonicContact CZ-OD2 2.74Å; R43-D500 IonicContact NH1-OD1 2.8Å; R43-D500 PolarHBondContact NH1-OD1 2.88Å; R43-D500 IonicContact NH1-OD2 2.66Å; R43-D500 PolarHBondContact NH1-OD2 3.25Å; R43-D500 IonicContact NH2-OD2 3.66Å; R43-D500 PolarHBondContact NH2-OD2 3.31Å
44	F	74	Confident	65.6	Low	40 Å²	40	95.3 Å²	95.3	18%	0.175	55%	0.55	C	S	.	*	S	Bend	trans	-125.8	132.3	-177.9	-57.4	-71.4	0	0	0	111.1	L42 D500 L503 A504 N507	L42-F44 PolarHBondContact O-N 3.48Å; F44-D500 HydrophobicContact CE1-CB 4.35Å; F44-D500 HydrophobicContact CE2-CB 4.16Å; F44-D500 HydrophobicContact CZ-CB 3.55Å; F44-L503 HydrophobicContact CD2-CB 4.18Å; F44-L503 HydrophobicContact CE2-CB 4.21Å; F44-A504 HydrophobicContact CB-CB 4.15Å; F44-A504 HydrophobicContact CD1-CB 4.25Å; F44-A504 HydrophobicContact CG-CB 4.03Å; F44-N507 PolarHBondContact O-ND2 3.12Å; F44-N507 VanDerWaalsContact O-ND2 3.12Å
45	S	73.9	Confident	68.6	Low	53 Å²	53	93.3 Å²	93.3	37%	0.371	52%	0.524	S	S	.	.			trans	-66.8	162.2	166.9	-170.9	0	0	0	0	110.5	T47 D48 N507	S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 VanDerWaalsContact CB-OG1 3.3Å; S45-T47 WeakPolarHBondContact CB-OG1 3.49Å; S45-T47 PolarHBondContact OG-N 3.28Å; S45-T47 PolarHBondContact OG-OG1 2.69Å; S45-D48 WeakPolarHBondContact CB-OD2 3.3Å; S45-N507 PolarHBondContact O-ND2 3.3Å
46	H	73.2	Confident	71.6	Confident	65 Å²	65	96.8 Å²	96.8	30%	0.301	53%	0.528	S	S	.	.	S	Bend	trans	-87.2	2.6	170.3	62.6	-85.3	0	0	0	112.2	K508 H511	H46-K508 WeakPolarHBondContact O-CD 3.45Å; H46-K508 WeakPolarHBondContact O-CE 3.48Å; H46-K508 PolarHBondContact O-NZ 3.44Å; H46-H511 HydrophobicContact CB-CB 3.96Å; H46-H511 AromaticContact CD2-CD2 3.31Å; H46-H511 PolarHBondContact CD2-CD2 2.97Å; H46-H511 AromaticContact CD2-CE1 3.6Å; H46-H511 AromaticContact CD2-NE2 2.98Å; H46-H511 PolarHBondContact CD2-NE2 3.49Å; H46-H511 AromaticContact CG-CD2 3.59Å; H46-H511 AromaticContact CG-CE1 3.95Å; H46-H511 AromaticContact CG-CG 3.89Å; H46-H511 AromaticContact CG-NE2 3.62Å; H46-H511 AromaticContact NE2-NE2 3.66Å
47	T	71.9	Confident	74.8	Confident	84 Å²	84	94.9 Å²	94.9	52%	0.515	51%	0.507	S	S	.	.	S	Bend	trans	-93.3	-35.1	174.9	43.9	0	0	0	0	112.2	S45	S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 VanDerWaalsContact CB-OG1 3.3Å; S45-T47 WeakPolarHBondContact CB-OG1 3.49Å; S45-T47 PolarHBondContact OG-N 3.28Å; S45-T47 PolarHBondContact OG-OG1 2.69Å
48	D	74.6	Confident	77.8	Confident	105 Å²	105	94.8 Å²	94.8	56%	0.561	50%	0.502	S	S	*	.			trans	-116.5	101.2	-165	-47.7	-66.5	0	0	0	110.6	S45	S45-D48 WeakPolarHBondContact CB-OD2 3.3Å
49	I	84.6	Confident	80.8	Confident	66 Å²	66	88.7 Å²	88.7	34%	0.338	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-84.6	122.3	165.7	-44.2	174.6	0	0	0	106.6	M472 F501 V505 K508	I49-M472 HydrophobicContact CD1-CG 4.15Å; I49-M472 HydrophobicContact CD1-SD 3.38Å; I49-M472 WeakPolarHBondContact CD1-SD 3.31Å; I49-F501 HydrophobicContact CG2-CD2 4.42Å; I49-F501 HydrophobicContact CG2-CE2 4.01Å; I49-V505 HydrophobicContact CG2-CG2 3.67Å; I49-K508 HydrophobicContact CD1-CB 4.43Å; I49-K508 HydrophobicContact CD1-CG 4.01Å; I49-K508 HydrophobicContact CG1-CB 4.3Å; I49-K508 HydrophobicContact CG1-CG 4.19Å
50	P	86.4	Confident	83.4	Confident	51 Å²	51	86.6 Å²	86.6	33%	0.331	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-65.5	157.7	173	29	-32.5	0	0	0	110.2	F501 A504	P50-F501 HydrophobicContact CG-CD2 4.3Å; P50-F501 VanDerWaalsContact O-CD2 3.24Å; P50-F501 WeakPolarHBondContact O-CD2 3.12Å; P50-F501 VanDerWaalsContact O-CE2 3.25Å; P50-F501 WeakPolarHBondContact O-CE2 3.44Å; P50-A504 HydrophobicContact CG-CB 4.06Å
51	E	92.3	Very high	85.6	Confident	185 Å²	185	90 Å²	90	86%	0.864	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-62	144.4	171.4	-64.9	-173.3	167.5	0	0	110.8
52	M	95.7	Very high	87	Confident	34 Å²	34	86.5 Å²	86.5	17%	0.167	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-60.6	129.6	176.4	-176.2	-173	-69.1	0	0	109.5	Y101 R109 G473 F501	M52-Y101 HydrophobicContact SD-CD1 4.49Å; M52-R109 PolarHBondContact O-NH2 3.01Å; M52-R109 VanDerWaalsContact O-NH2 3.09Å; M52-R109 HydrophobicContact SD-CB 4.39Å; M52-R109 HydrophobicContact SD-CG 3.92Å; M52-R109 VanDerWaalsContact SD-CZ 3.52Å; M52-R109 PolarHBondContact SD-NE 2.72Å; M52-R109 VanDerWaalsContact SD-NE 3.4Å; M52-G473 WeakPolarHBondContact CE-O 3.38Å; M52-F501 HydrophobicContact CB-CD1 4.4Å; M52-F501 HydrophobicContact CB-CD2 4.28Å; M52-F501 HydrophobicContact CB-CE1 4Å; M52-F501 HydrophobicContact CB-CE2 3.89Å; M52-F501 HydrophobicContact CB-CZ 3.74Å; M52-F501 HydrophobicContact CE-CE1 3.66Å; M52-F501 HydrophobicContact CE-CZ 3.9Å; M52-F501 HydrophobicContact CG-CD1 4.16Å; M52-F501 HydrophobicContact CG-CE1 3.89Å; M52-F501 HydrophobicContact CG-CZ 4.16Å
53	P	96.2	Very high	88.1	Confident	24 Å²	24	91.9 Å²	91.9	16%	0.156	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-49.9	145.7	-171.8	-29.3	34.6	0	0	0	113.9	R109 E497 F501	P53-R109 VanDerWaalsContact O-CZ 3.25Å; P53-R109 PolarHBondContact O-NH1 2.88Å; P53-R109 PolarHBondContact O-NH2 3.42Å; P53-E497 HydrophobicContact CB-CB 4.34Å; P53-E497 HydrophobicContact CG-CB 3.93Å; P53-F501 HydrophobicContact CG-CB 4.42Å
54	S	94.2	Very high	89.3	Confident	122 Å²	122	88.3 Å²	88.3	85%	0.853	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-64.9	140.3	-177.5	55.9	0	0	0	0	111.5
55	C	93.6	Very high	90.4	Very high	36 Å²	36	91 Å²	91	24%	0.243	49%	0.493	C	S	.	.			trans	-127.8	123.7	175.9	-176.1	0	0	0	0	109	F57 Y101 R109	C55-F57 PolarHBondContact O-N 2.98Å; C55-Y101 HydrophobicContact CB-CD2 3.97Å; C55-Y101 HydrophobicContact CB-CE2 3.79Å; C55-R109 VanDerWaalsContact CB-NH1 3.27Å
56	N	92.6	Very high	91.6	Very high	175 Å²	175	92 Å²	92	94%	0.936	50%	0.5	S	S	*	.			trans	-83.3	55	178.4	-168.6	26.9	0	0	0	111
57	F	96	Very high	92.7	Very high	60 Å²	60	91.8 Å²	91.8	26%	0.263	50%	0.498	S	S	.	.			trans	-139.9	123.1	179.9	-177	-100.9	0	0	0	109.9	C55 Q96 H98 W103	C55-F57 PolarHBondContact O-N 2.98Å; F57-Q96 HydrophobicContact CE1-CG 4.31Å; F57-Q96 VanDerWaalsContact CZ-NE2 3.29Å; F57-H98 HydrophobicContact CD1-CB 3.66Å; F57-H98 AromaticContact CD1-CG 3.95Å; F57-H98 HydrophobicContact CD2-CB 4.14Å; F57-H98 AromaticContact CD2-CD2 3.98Å; F57-H98 AromaticContact CD2-CE1 3.77Å; F57-H98 AromaticContact CD2-CG 3.61Å; F57-H98 AromaticContact CD2-ND1 3.48Å; F57-H98 WeakPolarHBondContact CD2-ND1 3.47Å; F57-H98 HydrophobicContact CE1-CB 3.74Å; F57-H98 HydrophobicContact CE2-CB 4.22Å; F57-H98 AromaticContact CE2-CG 3.98Å; F57-H98 AromaticContact CE2-ND1 3.65Å; F57-H98 HydrophobicContact CG-CB 3.85Å; F57-H98 AromaticContact CG-CD2 3.75Å; F57-H98 AromaticContact CG-CG 3.58Å; F57-H98 AromaticContact CG-ND1 3.96Å; F57-H98 HydrophobicContact CZ-CB 4Å; F57-W103 AromaticContact CD1-CH2 3.65Å; F57-W103 HydrophobicContact CD1-CH2 3.65Å; F57-W103 HydrophobicContact CD1-CZ2 4.03Å; F57-W103 HydrophobicContact CD1-CZ3 4.01Å; F57-W103 HydrophobicContact CE1-CH2 4.37Å; F57-W103 HydrophobicContact CE1-CZ3 4.29Å; F57-W103 HydrophobicContact CG-CH2 4.48Å
58	T	96.1	Very high	94	Very high	127 Å²	127	91.3 Å²	91.3	78%	0.779	50%	0.503	S	S	*	.			trans	-93.2	115.8	174.3	-53	0	0	0	0	108.5
59	P	96	Very high	95.1	Very high	41 Å²	41	92 Å²	92	27%	0.266	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-66.9	155.8	174	32.4	-38.1	0	0	0	110.7	W103	P59-W103 HydrophobicContact CB-CB 4.41Å; P59-W103 HydrophobicContact CB-CD2 4.17Å; P59-W103 HydrophobicContact CB-CG 3.89Å; P59-W103 HydrophobicContact CG-CG 4.22Å
60	E	96.9	Very high	95.7	Very high	149 Å²	149	90.9 Å²	90.9	70%	0.696	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-77.8	142.1	170.9	-63.1	-174.5	179.2	0	0	109.7	Y62 H95	E60-Y62 PolarHBondContact O-N 3.31Å; E60-H95 PolarHBondContact O-CE1 3.27Å
61	E	96.8	Very high	96.1	Very high	148 Å²	148	90.2 Å²	90.2	69%	0.692	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-65.7	121	173.7	-177.2	-169.3	-173	0	0	110.1	K63	E61-K63 PolarHBondContact O-N 2.89Å; E61-K63 WeakPolarHBondContact OE2-CE 3.04Å; E61-K63 IonicContact OE2-NZ 2.7Å; E61-K63 PolarHBondContact OE2-NZ 3.2Å
62	Y	98	Very high	96.3	Very high	71 Å²	71	84.4 Å²	84.4	28%	0.278	46%	0.457	S	S	.	.			trans	-70.5	113.5	179.8	179.1	-93.3	0	0	0	112.1	E60 G64 M65 M70 H95 V105	E60-Y62 PolarHBondContact O-N 3.31Å; Y62-G64 VanDerWaalsContact CE1-C 3.48Å; Y62-G64 VanDerWaalsContact CE1-CA 3.45Å; Y62-G64 VanDerWaalsContact CZ-CA 3.43Å; Y62-M65 WeakPolarHBondContact CE1-O 3.33Å; Y62-M65 PolarHBondContact OH-N 2.83Å; Y62-M65 PolarHBondContact OH-O 3.24Å; Y62-M70 HydrophobicContact CE1-CE 4.37Å; Y62-H95 HydrophobicContact CD2-CB 3.61Å; Y62-H95 AromaticContact CD2-CG 3.89Å; Y62-H95 HydrophobicContact CE2-CB 4.08Å; Y62-H95 HydrophobicContact CG-CB 4.44Å; Y62-V105 HydrophobicContact CD1-CB 3.47Å; Y62-V105 VanDerWaalsContact CD1-CB 3.47Å; Y62-V105 HydrophobicContact CD1-CG1 3.48Å; Y62-V105 VanDerWaalsContact CD1-CG1 3.48Å; Y62-V105 HydrophobicContact CD2-CB 4.37Å; Y62-V105 HydrophobicContact CD2-CG1 3.65Å; Y62-V105 HydrophobicContact CE1-CB 3.9Å; Y62-V105 HydrophobicContact CE1-CG1 3.55Å; Y62-V105 HydrophobicContact CE2-CG1 3.71Å; Y62-V105 HydrophobicContact CG-CB 3.71Å; Y62-V105 HydrophobicContact CG-CG1 3.5Å
63	K	96.9	Very high	96.4	Very high	167 Å²	167	84.6 Å²	84.6	73%	0.726	46%	0.459	S	S	*	.			trans	-107.8	20.7	-178.7	-68.1	170.3	-173.3	179.2	0	113.7	E61	E61-K63 PolarHBondContact O-N 2.89Å; E61-K63 WeakPolarHBondContact OE2-CE 3.04Å; E61-K63 IonicContact OE2-NZ 2.7Å; E61-K63 PolarHBondContact OE2-NZ 3.2Å
64	G	96.3	Very high	96.3	Very high	51 Å²	51	87.2 Å²	87.2	53%	0.526	47%	0.466	S	S	.	.	S	Bend	trans	-91.2	-149.4	-172.7	0	0	0	0	0	115	Y62	Y62-G64 VanDerWaalsContact CE1-C 3.48Å; Y62-G64 VanDerWaalsContact CE1-CA 3.45Å; Y62-G64 VanDerWaalsContact CZ-CA 3.43Å
65	M	97	Very high	96.3	Very high	97 Å²	97	87.1 Å²	87.1	48%	0.478	45%	0.45	S	S	.	.			trans	-71.1	142.6	-178	-68.1	179.4	-78.3	0	0	112.2	Y62 R69 M70 I73	Y62-M65 WeakPolarHBondContact CE1-O 3.33Å; Y62-M65 PolarHBondContact OH-N 2.83Å; Y62-M65 PolarHBondContact OH-O 3.24Å; M65-R69 HydrophobicContact CB-CB 4.49Å; M65-R69 HydrophobicContact CB-CG 4.43Å; M65-R69 HydrophobicContact CG-CG 4.5Å; M65-R69 HydrophobicContact SD-CG 4.33Å; M65-M70 HydrophobicContact CB-CG 3.93Å; M65-M70 WeakPolarHBondContact O-CE 3.29Å; M65-I73 HydrophobicContact CE-CD1 4.38Å; M65-I73 HydrophobicContact SD-CD1 3.46Å; M65-I73 WeakPolarHBondContact SD-CD1 3.24Å
66	S	97.8	Very high	96.5	Very high	75 Å²	75	91.1 Å²	91.1	52%	0.524	47%	0.465	S	S	.	.			trans	-62.1	151.9	174.5	70.6	0	0	0	0	112.8	A68 R69 M70	S66-A68 PolarHBondContact O-N 3.33Å; S66-R69 PolarHBondContact O-N 3.37Å; S66-R69 PolarHBondContact OG-N 2.74Å; S66-M70 PolarHBondContact O-N 3.01Å
67	K	97.6	Very high	96.7	Very high	59 Å²	59	88 Å²	88	26%	0.257	45%	0.448	S	S	.	.	H	α-helix	trans	-49.4	-42.7	175.8	-69.7	-174.5	169.6	-179.4	0	112.1	M70 I71 F93 D104 V105 D106	K67-M70 HydrophobicContact CG-CE 4.34Å; K67-M70 PolarHBondContact O-N 2.96Å; K67-I71 WeakPolarHBondContact O-CG1 3.32Å; K67-I71 PolarHBondContact O-N 2.75Å; K67-F93 HydrophobicContact CB-CD1 4.31Å; K67-F93 HydrophobicContact CB-CD2 4.31Å; K67-F93 HydrophobicContact CB-CE1 3.94Å; K67-F93 HydrophobicContact CB-CE2 3.96Å; K67-F93 HydrophobicContact CB-CG 4.47Å; K67-F93 HydrophobicContact CB-CZ 3.76Å; K67-F93 HydrophobicContact CD-CD2 3.53Å; K67-F93 HydrophobicContact CD-CE2 3.74Å; K67-F93 HydrophobicContact CD-CG 4.08Å; K67-F93 HydrophobicContact CD-CZ 4.43Å; K67-F93 HydrophobicContact CG-CB 4.4Å; K67-F93 HydrophobicContact CG-CD1 4.03Å; K67-F93 HydrophobicContact CG-CD2 3.7Å; K67-F93 HydrophobicContact CG-CE1 4.16Å; K67-F93 HydrophobicContact CG-CE2 3.86Å; K67-F93 HydrophobicContact CG-CG 3.79Å; K67-F93 HydrophobicContact CG-CZ 4.08Å; K67-D104 IonicContact NZ-OD2 3.46Å; K67-D104 PolarHBondContact NZ-OD2 2.76Å; K67-V105 HydrophobicContact CD-CG2 4.12Å; K67-V105 HydrophobicContact CG-CG2 3.79Å; K67-D106 WeakPolarHBondContact CE-OD1 3.37Å; K67-D106 IonicContact NZ-OD1 3.1Å; K67-D106 PolarHBondContact NZ-OD1 3.27Å; K67-D106 IonicContact NZ-OD2 2.66Å; K67-D106 PolarHBondContact NZ-OD2 3.28Å
68	A	97.6	Very high	96.7	Very high	75 Å²	75	87.7 Å²	87.7	62%	0.62	45%	0.453	S	S	*	.	H	α-helix	trans	-62.4	-45.1	176.3	0	0	0	0	0	112.9	S66 I71 E72	S66-A68 PolarHBondContact O-N 3.33Å; A68-I71 PolarHBondContact O-N 3.06Å; A68-E72 PolarHBondContact O-N 3.29Å
69	R	97.8	Very high	96.6	Very high	118 Å²	118	86.4 Å²	86.4	45%	0.445	44%	0.441	S	S	.	.	H	α-helix	trans	-66	-39.6	177.9	-178.8	56.3	179.7	153.5	3.1	111.9	M65 S66 E72 I73	M65-R69 HydrophobicContact CB-CB 4.49Å; M65-R69 HydrophobicContact CB-CG 4.43Å; M65-R69 HydrophobicContact CG-CG 4.5Å; M65-R69 HydrophobicContact SD-CG 4.33Å; S66-R69 PolarHBondContact O-N 3.37Å; S66-R69 PolarHBondContact OG-N 2.74Å; R69-E72 PolarHBondContact O-N 2.86Å; R69-I73 HydrophobicContact CG-CD1 4Å; R69-I73 WeakPolarHBondContact O-CG1 3.27Å; R69-I73 PolarHBondContact O-N 3.36Å
70	M	97.1	Very high	96.5	Very high	43 Å²	43	89.7 Å²	89.7	21%	0.212	46%	0.463	C	S	.	.	H	α-helix	trans	-61	-43.2	175	-73.4	-170.8	-87.3	0	0	112.3	Y62 M65 S66 K67 R74 F93 V105	Y62-M70 HydrophobicContact CE1-CE 4.37Å; M65-M70 HydrophobicContact CB-CG 3.93Å; M65-M70 WeakPolarHBondContact O-CE 3.29Å; S66-M70 PolarHBondContact O-N 3.01Å; K67-M70 HydrophobicContact CG-CE 4.34Å; K67-M70 PolarHBondContact O-N 2.96Å; M70-R74 WeakPolarHBondContact O-CB 3.2Å; M70-R74 PolarHBondContact O-N 3.42Å; M70-F93 HydrophobicContact CB-CD1 4.32Å; M70-F93 HydrophobicContact CB-CE1 4.11Å; M70-F93 HydrophobicContact CE-CB 4.38Å; M70-F93 HydrophobicContact CE-CD1 3.7Å; M70-F93 HydrophobicContact CE-CE1 4.4Å; M70-F93 HydrophobicContact CE-CG 4.36Å; M70-F93 HydrophobicContact SD-CD1 4.07Å; M70-V105 HydrophobicContact CE-CG1 4.05Å; M70-V105 HydrophobicContact CE-CG2 4.27Å
71	I	96.3	Very high	96.2	Very high	38 Å²	38	86 Å²	86	20%	0.195	45%	0.446	C	S	.	.	H	α-helix	trans	-64.8	-39.5	175.3	-69.2	-61.4	0	0	0	111.7	K67 A68 R74 K75 P91 F93	K67-I71 WeakPolarHBondContact O-CG1 3.32Å; K67-I71 PolarHBondContact O-N 2.75Å; A68-I71 PolarHBondContact O-N 3.06Å; I71-R74 WeakPolarHBondContact O-CB 3.35Å; I71-R74 PolarHBondContact O-N 2.93Å; I71-K75 WeakPolarHBondContact O-CG 3.43Å; I71-K75 PolarHBondContact O-N 3.27Å; I71-P91 HydrophobicContact CD1-CG 4.39Å; I71-F93 HydrophobicContact CD1-CE1 3.93Å; I71-F93 HydrophobicContact CD1-CZ 3.77Å; I71-F93 HydrophobicContact CG1-CE1 3.83Å; I71-F93 HydrophobicContact CG1-CZ 3.62Å
72	E	96.8	Very high	96	Very high	63 Å²	63	80 Å²	80	29%	0.294	42%	0.419	S	S	.	.	H	α-helix	trans	-67.8	-42.2	179.6	-160.2	54.9	-148	0	0	112.3	A68 R69 R74 K75 Q76	A68-E72 PolarHBondContact O-N 3.29Å; R69-E72 PolarHBondContact O-N 2.86Å; E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 3.43Å; E72-K75 PolarHBondContact O-N 3.45Å; E72-K75 IonicContact OE2-NZ 2.84Å; E72-K75 PolarHBondContact OE2-NZ 3.26Å; E72-Q76 HydrophobicContact CG-CG 4.46Å; E72-Q76 WeakPolarHBondContact O-CB 3.44Å; E72-Q76 WeakPolarHBondContact O-CG 3.4Å; E72-Q76 PolarHBondContact O-N 3.32Å; E72-Q76 PolarHBondContact OE1-NE2 2.99Å
73	I	96.4	Very high	95.6	Very high	38 Å²	38	80.4 Å²	80.4	20%	0.195	43%	0.425	C	S	.	.	H	α-helix	trans	-59.1	-40.2	170.4	-67.7	168.3	0	0	0	110.6	M65 R69 K75 Q76 N77 C78	M65-I73 HydrophobicContact CE-CD1 4.38Å; M65-I73 HydrophobicContact SD-CD1 3.46Å; M65-I73 WeakPolarHBondContact SD-CD1 3.24Å; R69-I73 HydrophobicContact CG-CD1 4Å; R69-I73 WeakPolarHBondContact O-CG1 3.27Å; R69-I73 PolarHBondContact O-N 3.36Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 3.07Å; I73-Q76 PolarHBondContact O-N 3.15Å; I73-N77 HydrophobicContact CG2-CB 4.1Å; I73-N77 WeakPolarHBondContact O-CA 3.47Å; I73-N77 WeakPolarHBondContact O-CB 3.4Å; I73-N77 PolarHBondContact O-N 2.84Å; I73-C78 PolarHBondContact O-N 2.74Å
74	R	95	Very high	95.3	Very high	79 Å²	79	80.1 Å²	80.1	30%	0.298	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-32.5	178.5	-162.7	179.1	-174.9	92.5	-11.1	113.2	M70 I71 E72 C78 T82 M83 T86	M70-R74 WeakPolarHBondContact O-CB 3.2Å; M70-R74 PolarHBondContact O-N 3.42Å; I71-R74 WeakPolarHBondContact O-CB 3.35Å; I71-R74 PolarHBondContact O-N 2.93Å; E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 3.43Å; R74-C78 HydrophobicContact CG-CB 4.41Å; R74-T82 WeakPolarHBondContact CG-OG1 3.29Å; R74-T82 VanDerWaalsContact CZ-O 3.27Å; R74-T82 PolarHBondContact NE-O 2.97Å; R74-T82 PolarHBondContact NH2-O 2.85Å; R74-M83 HydrophobicContact CB-SD 4Å; R74-M83 HydrophobicContact CG-CG 4.19Å; R74-M83 HydrophobicContact CG-SD 3.64Å; R74-T86 PolarHBondContact NE-OG1 2.82Å; R74-T86 VanDerWaalsContact NE-OG1 3.12Å; R74-T86 PolarHBondContact NH2-OG1 3.26Å
75	K	94.6	Very high	95	Very high	120 Å²	120	81.9 Å²	81.9	52%	0.522	42%	0.424	S	S	.	.	H	α-helix	trans	-76.4	-42.7	173.5	-65.8	173.4	-163.7	157	0	113	I71 E72 I73 M83	I71-K75 WeakPolarHBondContact O-CG 3.43Å; I71-K75 PolarHBondContact O-N 3.27Å; E72-K75 PolarHBondContact O-N 3.45Å; E72-K75 IonicContact OE2-NZ 2.84Å; E72-K75 PolarHBondContact OE2-NZ 3.26Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 3.07Å; K75-M83 HydrophobicContact CG-CE 4.35Å; K75-M83 HydrophobicContact CG-SD 4.26Å
76	Q	96.3	Very high	94.9	Very high	120 Å²	120	79.3 Å²	79.3	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-93.5	-32.7	-168.3	-64.8	-173.2	-1.6	0	0	114.3	E72 I73	E72-Q76 HydrophobicContact CG-CG 4.46Å; E72-Q76 WeakPolarHBondContact O-CB 3.44Å; E72-Q76 WeakPolarHBondContact O-CG 3.4Å; E72-Q76 PolarHBondContact O-N 3.32Å; E72-Q76 PolarHBondContact OE1-NE2 2.99Å; I73-Q76 PolarHBondContact O-N 3.15Å
77	N	97.3	Very high	94.7	Very high	109 Å²	109	78.7 Å²	78.7	58%	0.583	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-14	-165.2	-49.9	117.8	0	0	0	114.2	I73	I73-N77 HydrophobicContact CG2-CB 4.1Å; I73-N77 WeakPolarHBondContact O-CA 3.47Å; I73-N77 WeakPolarHBondContact O-CB 3.4Å; I73-N77 PolarHBondContact O-N 2.84Å
78	C	96.4	Very high	94.6	Very high	54 Å²	54	77.4 Å²	77.4	37%	0.365	39%	0.394	S	S	.	.	S	Bend	trans	-94.4	164.2	174.6	-62.9	0	0	0	0	112	I73 R74 T82	I73-C78 PolarHBondContact O-N 2.74Å; R74-C78 HydrophobicContact CG-CB 4.41Å; C78-T82 HydrophobicContact CB-CG2 3.95Å; C78-T82 WeakPolarHBondContact CB-OG1 3.16Å
79	N	94	Very high	94.4	Very high	99 Å²	99	82.1 Å²	82.1	53%	0.529	40%	0.401	S	S	.	.			trans	-60.9	143.4	173.9	72.4	67.9	0	0	0	110.6	M81 T82	N79-M81 PolarHBondContact O-N 3.1Å; N79-M81 VanDerWaalsContact O-N 3.1Å; N79-M81 WeakPolarHBondContact OD1-CB 3.4Å; N79-M81 PolarHBondContact OD1-N 3.3Å; N79-T82 WeakPolarHBondContact O-CB 3.18Å; N79-T82 WeakPolarHBondContact O-CG2 3.34Å; N79-T82 PolarHBondContact O-N 3.43Å; N79-T82 PolarHBondContact O-OG1 3.49Å; N79-T82 WeakPolarHBondContact OD1-CG2 3.2Å; N79-T82 PolarHBondContact OD1-N 3.48Å
80	P	93.1	Very high	94.2	Very high	111 Å²	111	84.2 Å²	84.2	72%	0.721	41%	0.413	S	S	*	.	H	α-helix	trans	-61.3	-24.7	-175.3	-27.2	35.7	0	0	0	114.6	T82 M83 K84	P80-T82 PolarHBondContact O-N 2.92Å; P80-M83 PolarHBondContact O-N 3.49Å; P80-K84 PolarHBondContact O-N 2.98Å
81	M	91.6	Very high	94.1	Very high	70 Å²	70	84 Å²	84	35%	0.345	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-27.8	176.3	-63.8	-58.1	-63	0	0	111.7	N79 M83 K84 V85	N79-M81 PolarHBondContact O-N 3.1Å; N79-M81 VanDerWaalsContact O-N 3.1Å; N79-M81 WeakPolarHBondContact OD1-CB 3.4Å; N79-M81 PolarHBondContact OD1-N 3.3Å; M81-M83 VanDerWaalsContact C-N 3.28Å; M81-M83 PolarHBondContact O-N 3.46Å; M81-K84 HydrophobicContact CE-CB 4.5Å; M81-K84 HydrophobicContact CE-CD 4.05Å; M81-K84 PolarHBondContact O-N 2.87Å; M81-K84 VanDerWaalsContact O-N 3.1Å; M81-K84 HydrophobicContact SD-CB 4.45Å; M81-K84 HydrophobicContact SD-CD 4Å; M81-V85 HydrophobicContact CE-CG1 3.99Å; M81-V85 WeakPolarHBondContact O-CG2 3.28Å; M81-V85 PolarHBondContact O-N 2.94Å
82	T	91.9	Very high	94.2	Very high	22 Å²	22	83.7 Å²	83.7	14%	0.135	42%	0.415	C	S	.	.	H	α-helix	trans	-54.9	-42.6	173.2	64.4	0	0	0	0	112.1	R74 C78 N79 P80 T86	R74-T82 WeakPolarHBondContact CG-OG1 3.29Å; R74-T82 VanDerWaalsContact CZ-O 3.27Å; R74-T82 PolarHBondContact NE-O 2.97Å; R74-T82 PolarHBondContact NH2-O 2.85Å; C78-T82 HydrophobicContact CB-CG2 3.95Å; C78-T82 WeakPolarHBondContact CB-OG1 3.16Å; N79-T82 WeakPolarHBondContact O-CB 3.18Å; N79-T82 WeakPolarHBondContact O-CG2 3.34Å; N79-T82 PolarHBondContact O-N 3.43Å; N79-T82 PolarHBondContact O-OG1 3.49Å; N79-T82 WeakPolarHBondContact OD1-CG2 3.2Å; N79-T82 PolarHBondContact OD1-N 3.48Å; P80-T82 PolarHBondContact O-N 2.92Å; T82-T86 PolarHBondContact O-N 3.32Å; T82-T86 PolarHBondContact O-OG1 3.48Å
83	M	90.5	Very high	94.2	Very high	81 Å²	81	82.1 Å²	82.1	40%	0.399	41%	0.407	S	S	.	.	H	α-helix	trans	-72.2	-39.6	174.7	-71.3	-59.4	-60.6	0	0	112.1	R74 K75 P80 M81 V85	R74-M83 HydrophobicContact CB-SD 4Å; R74-M83 HydrophobicContact CG-CG 4.19Å; R74-M83 HydrophobicContact CG-SD 3.64Å; K75-M83 HydrophobicContact CG-CE 4.35Å; K75-M83 HydrophobicContact CG-SD 4.26Å; P80-M83 PolarHBondContact O-N 3.49Å; M81-M83 VanDerWaalsContact C-N 3.28Å; M81-M83 PolarHBondContact O-N 3.46Å; M83-V85 PolarHBondContact O-N 3.32Å
84	K	89.4	Confident	94.3	Very high	160 Å²	160	83.9 Å²	83.9	70%	0.696	42%	0.416	S	S	*	.	H	α-helix	trans	-69	-28.4	-176.3	-169.3	173.1	179.4	-178.6	0	114.3	P80 M81	P80-K84 PolarHBondContact O-N 2.98Å; M81-K84 HydrophobicContact CE-CB 4.5Å; M81-K84 HydrophobicContact CE-CD 4.05Å; M81-K84 PolarHBondContact O-N 2.87Å; M81-K84 VanDerWaalsContact O-N 3.1Å; M81-K84 HydrophobicContact SD-CB 4.45Å; M81-K84 HydrophobicContact SD-CD 4Å
85	V	91.3	Very high	94.4	Very high	88 Å²	88	82.8 Å²	82.8	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-107.5	0.5	-177.6	-47.2	0	0	0	0	114.3	M81 M83 Y87	M81-V85 HydrophobicContact CE-CG1 3.99Å; M81-V85 WeakPolarHBondContact O-CG2 3.28Å; M81-V85 PolarHBondContact O-N 2.94Å; M83-V85 PolarHBondContact O-N 3.32Å; V85-Y87 PolarHBondContact O-N 3.4Å
86	T	93.1	Very high	94.5	Very high	43 Å²	43	78.7 Å²	78.7	26%	0.264	40%	0.397	S	S	.	.			trans	-55.8	125	170.1	-68.7	0	0	0	0	109.4	R74 T82 P91	R74-T86 PolarHBondContact NE-OG1 2.82Å; R74-T86 VanDerWaalsContact NE-OG1 3.12Å; R74-T86 PolarHBondContact NH2-OG1 3.26Å; T82-T86 PolarHBondContact O-N 3.32Å; T82-T86 PolarHBondContact O-OG1 3.48Å; T86-P91 HydrophobicContact CG2-CB 3.76Å; T86-P91 HydrophobicContact CG2-CG 3.72Å
87	Y	94.7	Very high	94.6	Very high	63 Å²	63	73.3 Å²	73.3	25%	0.247	37%	0.374	C	S	.	.			trans	-76.8	152.2	170.1	-70.7	-7.7	0	0	0	110.5	V85 F114 F466 K478	V85-Y87 PolarHBondContact O-N 3.4Å; Y87-F114 HydrophobicContact CE2-CD1 4.13Å; Y87-F114 AromaticContact CE2-CE1 3.67Å; Y87-F114 HydrophobicContact CE2-CE1 3.67Å; Y87-F114 HydrophobicContact CE2-CZ 4.35Å; Y87-F466 HydrophobicContact CD2-CE1 4.12Å; Y87-F466 AromaticContact CD2-CZ 3.57Å; Y87-F466 HydrophobicContact CD2-CZ 3.57Å; Y87-F466 AromaticContact CE2-CZ 3.93Å; Y87-F466 HydrophobicContact CE2-CZ 3.93Å; Y87-F466 HydrophobicContact CG-CE1 4.04Å; Y87-F466 AromaticContact CG-CZ 3.97Å; Y87-F466 HydrophobicContact CG-CZ 3.97Å; Y87-K478 HydrophobicContact CE1-CG 4.05Å; Y87-K478 PolarHBondContact OH-N 3.39Å
88	Y	96.1	Very high	94.7	Very high	31 Å²	31	70.1 Å²	70.1	12%	0.122	36%	0.355	C	S	.	.	S	Bend	trans	72.9	143.2	171.6	-42.6	-67.1	0	0	0	115.9	K90 V92 F466 E467 K470 L475	Y88-K90 VanDerWaalsContact C-N 3.27Å; Y88-K90 WeakPolarHBondContact CB-O 3.24Å; Y88-K90 PolarHBondContact O-N 2.83Å; Y88-V92 HydrophobicContact CD2-CG2 3.97Å; Y88-V92 HydrophobicContact CE2-CG2 4.18Å; Y88-F466 AromaticContact CD1-CD1 4Å; Y88-F466 HydrophobicContact CD1-CD1 4Å; Y88-F466 AromaticContact CD1-CE1 3.79Å; Y88-F466 HydrophobicContact CD1-CE1 3.79Å; Y88-F466 HydrophobicContact CD1-CZ 4.15Å; Y88-F466 AromaticContact CE1-CD1 3.73Å; Y88-F466 HydrophobicContact CE1-CD1 3.73Å; Y88-F466 AromaticContact CE1-CD2 3.89Å; Y88-F466 HydrophobicContact CE1-CD2 3.89Å; Y88-F466 AromaticContact CE1-CE1 3.4Å; Y88-F466 HydrophobicContact CE1-CE1 3.4Å; Y88-F466 AromaticContact CE1-CE2 3.55Å; Y88-F466 HydrophobicContact CE1-CE2 3.55Å; Y88-F466 AromaticContact CE1-CG 3.97Å; Y88-F466 HydrophobicContact CE1-CG 3.97Å; Y88-F466 AromaticContact CE1-CZ 3.31Å; Y88-F466 HydrophobicContact CE1-CZ 3.31Å; Y88-F466 HydrophobicContact CE2-CZ 4.46Å; Y88-F466 AromaticContact CZ-CE2 3.78Å; Y88-F466 AromaticContact CZ-CZ 3.51Å; Y88-F466 WeakPolarHBondContact OH-CE2 3.27Å; Y88-F466 WeakPolarHBondContact OH-CZ 3.39Å; Y88-E467 WeakPolarHBondContact CA-OE1 3.41Å; Y88-E467 WeakPolarHBondContact CB-OE2 3.15Å; Y88-K470 HydrophobicContact CD1-CB 4.15Å; Y88-K470 HydrophobicContact CD1-CD 3.57Å; Y88-K470 HydrophobicContact CD1-CG 4.12Å; Y88-K470 HydrophobicContact CD2-CD 3.62Å; Y88-K470 HydrophobicContact CD2-CG 4.1Å; Y88-K470 HydrophobicContact CE1-CB 3.59Å; Y88-K470 HydrophobicContact CE1-CD 3.84Å; Y88-K470 HydrophobicContact CE1-CG 3.84Å; Y88-K470 HydrophobicContact CE2-CB 4.41Å; Y88-K470 HydrophobicContact CE2-CD 3.9Å; Y88-K470 HydrophobicContact CE2-CG 3.82Å; Y88-K470 HydrophobicContact CG-CD 3.43Å; Y88-K470 VanDerWaalsContact CG-CD 3.43Å; Y88-K470 HydrophobicContact CG-CG 4.22Å; Y88-L475 HydrophobicContact CE2-CD2 3.98Å
89	K	93.8	Very high	94.8	Very high	175 Å²	175	69.2 Å²	69.2	76%	0.761	35%	0.346	S	S	*	.	S	Bend	trans	-61.8	-37.2	175	-71.1	164.4	-175.9	170.4	0	111.2	E467	K89-E467 WeakPolarHBondContact CB-OE1 3.31Å; K89-E467 VanDerWaalsContact CG-OE1 3.26Å; K89-E467 WeakPolarHBondContact CG-OE1 3.43Å; K89-E467 PolarHBondContact N-OE1 3.24Å
90	K	92.7	Very high	95	Very high	161 Å²	161	65.3 Å²	65.3	70%	0.7	33%	0.325	S	S	*	.	S	Bend	trans	-107	100.2	167.5	-66.8	178	-176.2	172.2	0	107.3	Y88	Y88-K90 VanDerWaalsContact C-N 3.27Å; Y88-K90 WeakPolarHBondContact CB-O 3.24Å; Y88-K90 PolarHBondContact O-N 2.83Å
91	P	95.8	Very high	95.2	Very high	40 Å²	40	60.4 Å²	60.4	26%	0.26	29%	0.292	S	S	.	.			trans	-58.5	141.9	-178.5	-26.1	35.9	0	0	0	111.7	I71 T86 F93	I71-P91 HydrophobicContact CD1-CG 4.39Å; T86-P91 HydrophobicContact CG2-CB 3.76Å; T86-P91 HydrophobicContact CG2-CG 3.72Å; P91-F93 HydrophobicContact CB-CE2 4.11Å; P91-F93 HydrophobicContact CB-CZ 4.36Å; P91-F93 WeakPolarHBondContact O-CD2 3.31Å; P91-F93 WeakPolarHBondContact O-CE2 3.36Å
92	V	97.3	Very high	95.6	Very high	30 Å²	30	57.9 Å²	57.9	18%	0.182	28%	0.28	C	S	.	.			trans	-85.3	124.9	171	-167.8	0	0	0	0	108.5	Y88 I94 D104 Y110 K470 L475	Y88-V92 HydrophobicContact CD2-CG2 3.97Å; Y88-V92 HydrophobicContact CE2-CG2 4.18Å; V92-I94 HydrophobicContact CB-CD1 4.39Å; V92-I94 HydrophobicContact CG1-CD1 3.48Å; V92-I94 VanDerWaalsContact CG1-CD1 3.48Å; V92-I94 HydrophobicContact CG1-CG1 4.24Å; V92-I94 PolarHBondContact O-N 3.43Å; V92-D104 HydrophobicContact CG1-CB 3.88Å; V92-Y110 HydrophobicContact CG1-CD2 4.2Å; V92-Y110 HydrophobicContact CG1-CE1 4.42Å; V92-Y110 HydrophobicContact CG1-CE2 3.6Å; V92-K470 HydrophobicContact CG2-CD 3.78Å; V92-K470 HydrophobicContact CG2-CG 3.95Å; V92-L475 HydrophobicContact CG2-CD2 4.17Å
93	F	97.6	Very high	95.9	Very high	31 Å²	31	57.3 Å²	57.3	14%	0.136	28%	0.275	C	S	.	.			trans	-99.1	76	-175.5	-67	-99.5	0	0	0	109.5	K67 M70 I71 P91 D104 V105	K67-F93 HydrophobicContact CB-CD1 4.31Å; K67-F93 HydrophobicContact CB-CD2 4.31Å; K67-F93 HydrophobicContact CB-CE1 3.94Å; K67-F93 HydrophobicContact CB-CE2 3.96Å; K67-F93 HydrophobicContact CB-CG 4.47Å; K67-F93 HydrophobicContact CB-CZ 3.76Å; K67-F93 HydrophobicContact CD-CD2 3.53Å; K67-F93 HydrophobicContact CD-CE2 3.74Å; K67-F93 HydrophobicContact CD-CG 4.08Å; K67-F93 HydrophobicContact CD-CZ 4.43Å; K67-F93 HydrophobicContact CG-CB 4.4Å; K67-F93 HydrophobicContact CG-CD1 4.03Å; K67-F93 HydrophobicContact CG-CD2 3.7Å; K67-F93 HydrophobicContact CG-CE1 4.16Å; K67-F93 HydrophobicContact CG-CE2 3.86Å; K67-F93 HydrophobicContact CG-CG 3.79Å; K67-F93 HydrophobicContact CG-CZ 4.08Å; M70-F93 HydrophobicContact CB-CD1 4.32Å; M70-F93 HydrophobicContact CB-CE1 4.11Å; M70-F93 HydrophobicContact CE-CB 4.38Å; M70-F93 HydrophobicContact CE-CD1 3.7Å; M70-F93 HydrophobicContact CE-CE1 4.4Å; M70-F93 HydrophobicContact CE-CG 4.36Å; M70-F93 HydrophobicContact SD-CD1 4.07Å; I71-F93 HydrophobicContact CD1-CE1 3.93Å; I71-F93 HydrophobicContact CD1-CZ 3.77Å; I71-F93 HydrophobicContact CG1-CE1 3.83Å; I71-F93 HydrophobicContact CG1-CZ 3.62Å; P91-F93 HydrophobicContact CB-CE2 4.11Å; P91-F93 HydrophobicContact CB-CZ 4.36Å; P91-F93 WeakPolarHBondContact O-CD2 3.31Å; P91-F93 WeakPolarHBondContact O-CE2 3.36Å; F93-D104 CarbonylContact O-C 3.58Å; F93-D104 WeakPolarHBondContact O-CA 3.28Å; F93-D104 WeakPolarHBondContact O-CB 3.31Å; F93-V105 HydrophobicContact CB-CG1 4.26Å; F93-V105 HydrophobicContact CB-CG2 3.82Å; F93-V105 WeakPolarHBondContact O-CG1 3.26Å; F93-V105 PolarHBondContact O-N 2.66Å
94	I	97.6	Very high	96.3	Very high	74 Å²	74	53.7 Å²	53.7	38%	0.379	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.1	-179.1	-56	-56.2	0	0	0	111	V92 L102 W103 Y110 L475	V92-I94 HydrophobicContact CB-CD1 4.39Å; V92-I94 HydrophobicContact CG1-CD1 3.48Å; V92-I94 VanDerWaalsContact CG1-CD1 3.48Å; V92-I94 HydrophobicContact CG1-CG1 4.24Å; V92-I94 PolarHBondContact O-N 3.43Å; I94-L102 HydrophobicContact CD1-CB 4.04Å; I94-L102 HydrophobicContact CD1-CD1 4.31Å; I94-L102 HydrophobicContact CG1-CD1 4.4Å; I94-L102 HydrophobicContact CG2-CB 4.39Å; I94-L102 HydrophobicContact CG2-CD1 4.39Å; I94-L102 HydrophobicContact CG2-CD2 3.93Å; I94-L102 HydrophobicContact CG2-CG 4.48Å; I94-W103 WeakPolarHBondContact CA-O 3.21Å; I94-Y110 HydrophobicContact CD1-CD2 4.5Å; I94-L475 HydrophobicContact CD1-CD1 4.29Å
95	H	97.3	Very high	96.7	Very high	56 Å²	56	47.1 Å²	47.1	26%	0.259	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-27.4	171.4	79.7	101.7	0	0	0	114	E60 Y62 W103 D104 V105	E60-H95 PolarHBondContact O-CE1 3.27Å; Y62-H95 HydrophobicContact CD2-CB 3.61Å; Y62-H95 AromaticContact CD2-CG 3.89Å; Y62-H95 HydrophobicContact CE2-CB 4.08Å; Y62-H95 HydrophobicContact CG-CB 4.44Å; H95-W103 PolarHBondContact CD2-O 3.07Å; H95-W103 VanDerWaalsContact CD2-O 3.26Å; H95-W103 PolarHBondContact N-O 3.06Å; H95-D104 VanDerWaalsContact CD2-C 3.43Å; H95-D104 PolarHBondContact CD2-O 2.86Å; H95-D104 VanDerWaalsContact CD2-O 3.28Å; H95-D104 PolarHBondContact NE2-O 3.08Å; H95-V105 HydrophobicContact CB-CG1 4.01Å
96	Q	97.8	Very high	96.9	Very high	35 Å²	35	48.2 Å²	48.2	16%	0.164	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.9	-172	-174.3	162.8	-7.3	0	0	111.2	F57 L102 W103	F57-Q96 HydrophobicContact CE1-CG 4.31Å; F57-Q96 VanDerWaalsContact CZ-NE2 3.29Å; Q96-L102 WeakPolarHBondContact O-CA 3.45Å; Q96-W103 PolarHBondContact N-O 3.4Å; Q96-W103 PolarHBondContact O-N 2.78Å
97	G	97.9	Very high	97.1	Very high	7 Å²	7	48.3 Å²	48.3	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.1	179.1	0	0	0	0	0	111.7	Y101	G97-Y101 WeakPolarHBondContact CA-O 3.31Å
98	H	98.3	Very high	97.2	Very high	41 Å²	41	48.3 Å²	48.3	19%	0.19	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	119.5	176.8	-179.6	77.9	0	0	0	109.2	F57 Q100 Y101 W103 H124	F57-H98 HydrophobicContact CD1-CB 3.66Å; F57-H98 AromaticContact CD1-CG 3.95Å; F57-H98 HydrophobicContact CD2-CB 4.14Å; F57-H98 AromaticContact CD2-CD2 3.98Å; F57-H98 AromaticContact CD2-CE1 3.77Å; F57-H98 AromaticContact CD2-CG 3.61Å; F57-H98 AromaticContact CD2-ND1 3.48Å; F57-H98 WeakPolarHBondContact CD2-ND1 3.47Å; F57-H98 HydrophobicContact CE1-CB 3.74Å; F57-H98 HydrophobicContact CE2-CB 4.22Å; F57-H98 AromaticContact CE2-CG 3.98Å; F57-H98 AromaticContact CE2-ND1 3.65Å; F57-H98 HydrophobicContact CG-CB 3.85Å; F57-H98 AromaticContact CG-CD2 3.75Å; F57-H98 AromaticContact CG-CG 3.58Å; F57-H98 AromaticContact CG-ND1 3.96Å; F57-H98 HydrophobicContact CZ-CB 4Å; H98-Q100 PolarHBondContact O-N 3.02Å; H98-Y101 PolarHBondContact N-O 3.04Å; H98-Y101 PolarHBondContact O-N 3.44Å; H98-W103 HydrophobicContact CB-CH2 4.05Å; H98-W103 HydrophobicContact CB-CZ3 3.72Å; H98-H124 WeakPolarHBondContact CA-O 3.4Å
99	M	98.1	Very high	97.3	Very high	36 Å²	36	49.6 Å²	49.6	18%	0.177	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	53.7	-115	-178.6	-53.1	-59.5	-70.1	0	0	111.9	G123 H124 H126 C493	M99-G123 CarbonylContact O-C 3.51Å; M99-G123 WeakPolarHBondContact O-CA 3.09Å; M99-H124 PolarHBondContact N-O 3.48Å; M99-H124 PolarHBondContact O-CD2 3.28Å; M99-H124 VanDerWaalsContact O-CD2 3.25Å; M99-H124 PolarHBondContact O-N 3.07Å; M99-H126 VanDerWaalsContact SD-CD2 3.59Å; M99-C493 HydrophobicContact CE-CB 4.02Å
100	Q	98.4	Very high	97.5	Very high	17 Å²	17	42.1 Å²	42.1	8%	0.079	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	1.7	177.8	69.2	-83.7	25.7	0	0	114.6	H98 L111 D112 D498	H98-Q100 PolarHBondContact O-N 3.02Å; Q100-L111 HydrophobicContact CB-CD1 4.16Å; Q100-L111 HydrophobicContact CG-CD1 3.69Å; Q100-D112 WeakPolarHBondContact O-CB 3.46Å; Q100-D112 PolarHBondContact O-N 2.55Å; Q100-D498 WeakPolarHBondContact CG-OD2 3.27Å; Q100-D498 PolarHBondContact NE2-OD2 2.94Å
101	Y	98.8	Very high	97.8	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152	-175.5	-55.1	-67.3	0	0	0	113.2	M52 C55 G97 H98 W103 R109 Y110 L111 D498	M52-Y101 HydrophobicContact SD-CD1 4.49Å; C55-Y101 HydrophobicContact CB-CD2 3.97Å; C55-Y101 HydrophobicContact CB-CE2 3.79Å; G97-Y101 WeakPolarHBondContact CA-O 3.31Å; H98-Y101 PolarHBondContact N-O 3.04Å; H98-Y101 PolarHBondContact O-N 3.44Å; Y101-W103 HydrophobicContact CD2-CH2 4.45Å; Y101-W103 HydrophobicContact CG-CH2 4.33Å; Y101-R109 HydrophobicContact CD1-CG 4.48Å; Y101-Y110 WeakPolarHBondContact CA-O 3.38Å; Y101-L111 HydrophobicContact CD1-CB 4.44Å; Y101-L111 HydrophobicContact CD1-CD1 4.07Å; Y101-L111 HydrophobicContact CE1-CB 4.43Å; Y101-L111 HydrophobicContact CE1-CD1 3.72Å; Y101-D498 PolarHBondContact OH-OD1 2.83Å
102	L	98.7	Very high	98	Very high	17 Å²	17	32.8 Å²	32.8	9%	0.089	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.4	173.2	-71.4	177.6	0	0	0	110.5	I94 Q96 R109 Y110 D112 H124 L475	I94-L102 HydrophobicContact CD1-CB 4.04Å; I94-L102 HydrophobicContact CD1-CD1 4.31Å; I94-L102 HydrophobicContact CG1-CD1 4.4Å; I94-L102 HydrophobicContact CG2-CB 4.39Å; I94-L102 HydrophobicContact CG2-CD1 4.39Å; I94-L102 HydrophobicContact CG2-CD2 3.93Å; I94-L102 HydrophobicContact CG2-CG 4.48Å; Q96-L102 WeakPolarHBondContact O-CA 3.45Å; L102-R109 CarbonylContact O-C 3.56Å; L102-R109 WeakPolarHBondContact O-CA 3.49Å; L102-Y110 PolarHBondContact N-O 3.29Å; L102-Y110 PolarHBondContact O-N 3.12Å; L102-D112 HydrophobicContact CD1-CB 3.99Å; L102-D112 HydrophobicContact CG-CB 4.12Å; L102-H124 WeakPolarHBondContact CD2-NE2 3.41Å; L102-L475 HydrophobicContact CD1-CD1 4.06Å
103	W	98.6	Very high	98.1	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.2	174.7	-71.4	-102.8	0	0	0	110.7	F57 P59 I94 H95 Q96 H98 Y101 T108 R109	F57-W103 AromaticContact CD1-CH2 3.65Å; F57-W103 HydrophobicContact CD1-CH2 3.65Å; F57-W103 HydrophobicContact CD1-CZ2 4.03Å; F57-W103 HydrophobicContact CD1-CZ3 4.01Å; F57-W103 HydrophobicContact CE1-CH2 4.37Å; F57-W103 HydrophobicContact CE1-CZ3 4.29Å; F57-W103 HydrophobicContact CG-CH2 4.48Å; P59-W103 HydrophobicContact CB-CB 4.41Å; P59-W103 HydrophobicContact CB-CD2 4.17Å; P59-W103 HydrophobicContact CB-CG 3.89Å; P59-W103 HydrophobicContact CG-CG 4.22Å; I94-W103 WeakPolarHBondContact CA-O 3.21Å; H95-W103 PolarHBondContact CD2-O 3.07Å; H95-W103 VanDerWaalsContact CD2-O 3.26Å; H95-W103 PolarHBondContact N-O 3.06Å; Q96-W103 PolarHBondContact N-O 3.4Å; Q96-W103 PolarHBondContact O-N 2.78Å; H98-W103 HydrophobicContact CB-CH2 4.05Å; H98-W103 HydrophobicContact CB-CZ3 3.72Å; Y101-W103 HydrophobicContact CD2-CH2 4.45Å; Y101-W103 HydrophobicContact CG-CH2 4.33Å; W103-T108 WeakPolarHBondContact CA-O 3.21Å; W103-R109 HydrophobicContact CD2-CG 4.28Å; W103-R109 VanDerWaalsContact CZ2-CD 3.44Å; W103-R109 HydrophobicContact CZ2-CG 3.85Å
104	D	98.3	Very high	98.1	Very high	5 Å²	5	31 Å²	31	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	164.8	170.5	97.1	-29.2	0	0	0	112.5	K67 V92 F93 H95 D106 G107 T108 Y110	K67-D104 IonicContact NZ-OD2 3.46Å; K67-D104 PolarHBondContact NZ-OD2 2.76Å; V92-D104 HydrophobicContact CG1-CB 3.88Å; F93-D104 CarbonylContact O-C 3.58Å; F93-D104 WeakPolarHBondContact O-CA 3.28Å; F93-D104 WeakPolarHBondContact O-CB 3.31Å; H95-D104 VanDerWaalsContact CD2-C 3.43Å; H95-D104 PolarHBondContact CD2-O 2.86Å; H95-D104 VanDerWaalsContact CD2-O 3.28Å; H95-D104 PolarHBondContact NE2-O 3.08Å; D104-D106 PolarHBondContact O-N 2.96Å; D104-D106 PolarHBondContact OD1-N 2.62Å; D104-D106 VanDerWaalsContact OD1-N 3.13Å; D104-G107 WeakPolarHBondContact O-CA 3.47Å; D104-G107 PolarHBondContact O-N 2.73Å; D104-T108 PolarHBondContact N-O 2.52Å; D104-T108 WeakPolarHBondContact OD1-CB 3.4Å; D104-T108 PolarHBondContact OD1-N 3.05Å; D104-T108 PolarHBondContact OD1-OG1 2.83Å; D104-Y110 HydrophobicContact CB-CE2 3.92Å
105	V	98.3	Very high	98.1	Very high	21 Å²	21	27.5 Å²	27.5	13%	0.127	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-9.5	-175.6	-59.9	0	0	0	0	115.3	Y62 K67 M70 F93 H95	Y62-V105 HydrophobicContact CD1-CB 3.47Å; Y62-V105 VanDerWaalsContact CD1-CB 3.47Å; Y62-V105 HydrophobicContact CD1-CG1 3.48Å; Y62-V105 VanDerWaalsContact CD1-CG1 3.48Å; Y62-V105 HydrophobicContact CD2-CB 4.37Å; Y62-V105 HydrophobicContact CD2-CG1 3.65Å; Y62-V105 HydrophobicContact CE1-CB 3.9Å; Y62-V105 HydrophobicContact CE1-CG1 3.55Å; Y62-V105 HydrophobicContact CE2-CG1 3.71Å; Y62-V105 HydrophobicContact CG-CB 3.71Å; Y62-V105 HydrophobicContact CG-CG1 3.5Å; K67-V105 HydrophobicContact CD-CG2 4.12Å; K67-V105 HydrophobicContact CG-CG2 3.79Å; M70-V105 HydrophobicContact CE-CG1 4.05Å; M70-V105 HydrophobicContact CE-CG2 4.27Å; F93-V105 HydrophobicContact CB-CG1 4.26Å; F93-V105 HydrophobicContact CB-CG2 3.82Å; F93-V105 WeakPolarHBondContact O-CG1 3.26Å; F93-V105 PolarHBondContact O-N 2.66Å; H95-V105 HydrophobicContact CB-CG1 4.01Å
106	D	96.8	Very high	97.9	Very high	112 Å²	112	26.9 Å²	26.9	60%	0.599	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	2	173.5	-58.7	-0.1	0	0	0	111.3	K67 D104	K67-D106 WeakPolarHBondContact CE-OD1 3.37Å; K67-D106 IonicContact NZ-OD1 3.1Å; K67-D106 PolarHBondContact NZ-OD1 3.27Å; K67-D106 IonicContact NZ-OD2 2.66Å; K67-D106 PolarHBondContact NZ-OD2 3.28Å; D104-D106 PolarHBondContact O-N 2.96Å; D104-D106 PolarHBondContact OD1-N 2.62Å; D104-D106 VanDerWaalsContact OD1-N 3.13Å
107	G	96.4	Very high	97.7	Very high	45 Å²	45	27.8 Å²	27.8	46%	0.464	17%	0.165	S	C	.	.			trans	86.7	4.7	-176.1	0	0	0	0	0	114.4	D104 R109	D104-G107 WeakPolarHBondContact O-CA 3.47Å; D104-G107 PolarHBondContact O-N 2.73Å; G107-R109 PolarHBondContact O-N 2.77Å
108	T	97.2	Very high	97.6	Very high	62 Å²	62	27.6 Å²	27.6	38%	0.38	16%	0.163	S	C	.	.			trans	-71.6	123.6	-178.1	-47.9	0	0	0	0	110.2	W103 D104 Y110	W103-T108 WeakPolarHBondContact CA-O 3.21Å; D104-T108 PolarHBondContact N-O 2.52Å; D104-T108 WeakPolarHBondContact OD1-CB 3.4Å; D104-T108 PolarHBondContact OD1-N 3.05Å; D104-T108 PolarHBondContact OD1-OG1 2.83Å; T108-Y110 HydrophobicContact CG2-CE1 4.38Å; T108-Y110 HydrophobicContact CG2-CE2 3.76Å; T108-Y110 WeakPolarHBondContact O-CD2 3.49Å; T108-Y110 VanDerWaalsContact O-CE2 3.31Å; T108-Y110 WeakPolarHBondContact O-CE2 3.28Å
109	R	98.1	Very high	97.6	Very high	58 Å²	58	27.2 Å²	27.2	22%	0.219	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.2	175.5	-171.7	173	63.8	137.6	-2.9	111.1	M52 P53 C55 Y101 L102 W103 G107	M52-R109 PolarHBondContact O-NH2 3.01Å; M52-R109 VanDerWaalsContact O-NH2 3.09Å; M52-R109 HydrophobicContact SD-CB 4.39Å; M52-R109 HydrophobicContact SD-CG 3.92Å; M52-R109 VanDerWaalsContact SD-CZ 3.52Å; M52-R109 PolarHBondContact SD-NE 2.72Å; M52-R109 VanDerWaalsContact SD-NE 3.4Å; P53-R109 VanDerWaalsContact O-CZ 3.25Å; P53-R109 PolarHBondContact O-NH1 2.88Å; P53-R109 PolarHBondContact O-NH2 3.42Å; C55-R109 VanDerWaalsContact CB-NH1 3.27Å; Y101-R109 HydrophobicContact CD1-CG 4.48Å; L102-R109 CarbonylContact O-C 3.56Å; L102-R109 WeakPolarHBondContact O-CA 3.49Å; W103-R109 HydrophobicContact CD2-CG 4.28Å; W103-R109 VanDerWaalsContact CZ2-CD 3.44Å; W103-R109 HydrophobicContact CZ2-CG 3.85Å; G107-R109 PolarHBondContact O-N 2.77Å
110	Y	98.7	Very high	97.6	Very high	18 Å²	18	26.1 Å²	26.1	7%	0.071	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.9	174.9	-59.5	-94.1	0	0	0	111.3	V92 I94 Y101 L102 D104 T108 G473 L475	V92-Y110 HydrophobicContact CG1-CD2 4.2Å; V92-Y110 HydrophobicContact CG1-CE1 4.42Å; V92-Y110 HydrophobicContact CG1-CE2 3.6Å; I94-Y110 HydrophobicContact CD1-CD2 4.5Å; Y101-Y110 WeakPolarHBondContact CA-O 3.38Å; L102-Y110 PolarHBondContact N-O 3.29Å; L102-Y110 PolarHBondContact O-N 3.12Å; D104-Y110 HydrophobicContact CB-CE2 3.92Å; T108-Y110 HydrophobicContact CG2-CE1 4.38Å; T108-Y110 HydrophobicContact CG2-CE2 3.76Å; T108-Y110 WeakPolarHBondContact O-CD2 3.49Å; T108-Y110 VanDerWaalsContact O-CE2 3.31Å; T108-Y110 WeakPolarHBondContact O-CE2 3.28Å; Y110-G473 CarbonylContact C-O 3.54Å; Y110-G473 VanDerWaalsContact CA-O 3.24Å; Y110-G473 WeakPolarHBondContact CA-O 3.28Å; Y110-L475 HydrophobicContact CD1-CD1 4.39Å; Y110-L475 HydrophobicContact CD1-CD2 3.92Å; Y110-L475 HydrophobicContact CD1-CG 4Å; Y110-L475 HydrophobicContact CE1-CD2 4.44Å; Y110-L475 HydrophobicContact CG-CD1 4.03Å; Y110-L475 HydrophobicContact CG-CD2 4.39Å; Y110-L475 HydrophobicContact CG-CG 4.08Å
111	L	98.9	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.9	165	178.3	63.1	0	0	0	109.6	Q100 Y101 L113 G473 L475 D498 F501 F502	Q100-L111 HydrophobicContact CB-CD1 4.16Å; Q100-L111 HydrophobicContact CG-CD1 3.69Å; Y101-L111 HydrophobicContact CD1-CB 4.44Å; Y101-L111 HydrophobicContact CD1-CD1 4.07Å; Y101-L111 HydrophobicContact CE1-CB 4.43Å; Y101-L111 HydrophobicContact CE1-CD1 3.72Å; L111-L113 HydrophobicContact CB-CD1 4.46Å; L111-L113 HydrophobicContact CD2-CD1 3.66Å; L111-L113 HydrophobicContact CG-CD1 3.65Å; L111-G473 PolarHBondContact N-O 2.98Å; L111-L475 PolarHBondContact O-N 2.84Å; L111-D498 HydrophobicContact CD1-CB 3.93Å; L111-D498 HydrophobicContact CD2-CB 3.86Å; L111-D498 WeakPolarHBondContact CD2-O 3.44Å; L111-F501 HydrophobicContact CD2-CD1 3.97Å; L111-F502 HydrophobicContact CD2-CB 4.45Å
112	D	98.8	Very high	97.4	Very high	6 Å²	6	25 Å²	25	3%	0.032	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	102.3	-176.7	-176	9.3	0	0	0	111.8	Q100 L102 F114 A115 H124 P490 P491	Q100-D112 WeakPolarHBondContact O-CB 3.46Å; Q100-D112 PolarHBondContact O-N 2.55Å; L102-D112 HydrophobicContact CD1-CB 3.99Å; L102-D112 HydrophobicContact CG-CB 4.12Å; D112-F114 WeakPolarHBondContact OD1-CA 3.41Å; D112-F114 PolarHBondContact OD1-N 3.41Å; D112-A115 VanDerWaalsContact CG-N 3.31Å; D112-A115 PolarHBondContact OD1-N 3.04Å; D112-A115 VanDerWaalsContact OD2-CA 3.27Å; D112-A115 WeakPolarHBondContact OD2-CA 3.24Å; D112-A115 PolarHBondContact OD2-N 2.95Å; D112-H124 IonicContact OD2-CD2 3.17Å; D112-H124 IonicContact OD2-CE1 3.54Å; D112-H124 IonicContact OD2-NE2 2.67Å; D112-H124 PolarHBondContact OD2-NE2 2.94Å; D112-P490 WeakPolarHBondContact O-CA 3.46Å; D112-P491 WeakPolarHBondContact O-CD 3.18Å
113	L	98.7	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-100.4	21.8	171	-70.2	109.8	0	0	0	113.3	L111 V474 L475 I476 I488 K489 P490 I494 F502	L111-L113 HydrophobicContact CB-CD1 4.46Å; L111-L113 HydrophobicContact CD2-CD1 3.66Å; L111-L113 HydrophobicContact CG-CD1 3.65Å; L113-V474 HydrophobicContact CD1-CG1 3.35Å; L113-L475 CarbonylContact C-O 3.58Å; L113-L475 VanDerWaalsContact CA-O 3.32Å; L113-L475 WeakPolarHBondContact CA-O 3.35Å; L113-L475 PolarHBondContact N-O 3.18Å; L113-I476 HydrophobicContact CB-CG2 4.04Å; L113-I488 HydrophobicContact CB-CG2 4.26Å; L113-I488 HydrophobicContact CD2-CG2 3.57Å; L113-K489 CarbonylContact O-C 3.53Å; L113-K489 PolarHBondContact O-N 3.41Å; L113-P490 HydrophobicContact CB-CB 4.38Å; L113-P490 HydrophobicContact CD2-CB 4.39Å; L113-P490 HydrophobicContact CD2-CG 4.33Å; L113-P490 HydrophobicContact CG-CB 4.14Å; L113-I494 HydrophobicContact CD2-CD1 3.83Å; L113-I494 HydrophobicContact CG-CD1 4.13Å; L113-F502 HydrophobicContact CD1-CB 3.88Å; L113-F502 HydrophobicContact CD1-CD2 4.13Å; L113-F502 HydrophobicContact CD1-CG 3.98Å; L113-F502 HydrophobicContact CD2-CB 4.14Å; L113-F502 HydrophobicContact CD2-CD1 3.77Å; L113-F502 HydrophobicContact CD2-CD2 4.41Å; L113-F502 HydrophobicContact CD2-CE1 4.32Å; L113-F502 HydrophobicContact CD2-CG 3.82Å
114	F	97.9	Very high	97.4	Very high	24 Å²	24	25 Å²	25	11%	0.105	15%	0.154	C	C	.	.	S	Bend	trans	-126.2	-20.6	173.5	-166.7	-140.9	0	0	0	114.6	Y87 D112 G116 V117 A118 L475 G477 R487 K489	Y87-F114 HydrophobicContact CE2-CD1 4.13Å; Y87-F114 AromaticContact CE2-CE1 3.67Å; Y87-F114 HydrophobicContact CE2-CE1 3.67Å; Y87-F114 HydrophobicContact CE2-CZ 4.35Å; D112-F114 WeakPolarHBondContact OD1-CA 3.41Å; D112-F114 PolarHBondContact OD1-N 3.41Å; F114-G116 VanDerWaalsContact C-N 3.33Å; F114-G116 PolarHBondContact O-N 2.92Å; F114-V117 HydrophobicContact CE1-CB 4.43Å; F114-V117 HydrophobicContact CE1-CG2 3.74Å; F114-V117 HydrophobicContact CE2-CB 4.35Å; F114-V117 HydrophobicContact CE2-CG1 4.05Å; F114-V117 HydrophobicContact CE2-CG2 4.47Å; F114-V117 HydrophobicContact CZ-CB 4.04Å; F114-V117 HydrophobicContact CZ-CG1 3.85Å; F114-V117 HydrophobicContact CZ-CG2 3.7Å; F114-V117 CarbonylContact O-C 3.34Å; F114-V117 WeakPolarHBondContact O-CA 3.46Å; F114-V117 PolarHBondContact O-N 3.49Å; F114-A118 PolarHBondContact O-N 3.47Å; F114-L475 PolarHBondContact N-O 3.13Å; F114-G477 VanDerWaalsContact CE2-CA 3.48Å; F114-R487 HydrophobicContact CE2-CB 4.45Å; F114-K489 CarbonylContact C-O 3.49Å; F114-K489 VanDerWaalsContact C-O 3.28Å
115	A	97.4	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	53.5	42.6	167.2	0	0	0	0	0	114.1	D112 V117 A118 T119 V120 K489 P491	D112-A115 VanDerWaalsContact CG-N 3.31Å; D112-A115 PolarHBondContact OD1-N 3.04Å; D112-A115 VanDerWaalsContact OD2-CA 3.27Å; D112-A115 WeakPolarHBondContact OD2-CA 3.24Å; D112-A115 PolarHBondContact OD2-N 2.95Å; A115-V117 VanDerWaalsContact C-N 3.33Å; A115-V117 PolarHBondContact O-N 3.39Å; A115-A118 PolarHBondContact O-N 3.43Å; A115-T119 PolarHBondContact O-N 3.41Å; A115-V120 HydrophobicContact CB-CB 4.18Å; A115-V120 WeakPolarHBondContact CB-O 3.4Å; A115-V120 PolarHBondContact O-N 3.06Å; A115-K489 WeakPolarHBondContact CB-O 3.3Å; A115-P491 HydrophobicContact CB-CG 3.96Å
116	G	93.4	Very high	97.4	Very high	43 Å²	43	28.6 Å²	28.6	44%	0.443	18%	0.178	S	C	.	.	H	α-helix	trans	59.6	40.2	-174.4	0	0	0	0	0	113.4	F114 T119	F114-G116 VanDerWaalsContact C-N 3.33Å; F114-G116 PolarHBondContact O-N 2.92Å; G116-T119 WeakPolarHBondContact O-CB 3.22Å; G116-T119 PolarHBondContact O-OG1 2.93Å
117	V	95.1	Very high	97.4	Very high	53 Å²	53	27 Å²	27	32%	0.321	17%	0.174	S	C	.	.	H	α-helix	trans	68.4	48.2	-172.6	-155.6	0	0	0	0	113	F114 A115 T119 K356	F114-V117 HydrophobicContact CE1-CB 4.43Å; F114-V117 HydrophobicContact CE1-CG2 3.74Å; F114-V117 HydrophobicContact CE2-CB 4.35Å; F114-V117 HydrophobicContact CE2-CG1 4.05Å; F114-V117 HydrophobicContact CE2-CG2 4.47Å; F114-V117 HydrophobicContact CZ-CB 4.04Å; F114-V117 HydrophobicContact CZ-CG1 3.85Å; F114-V117 HydrophobicContact CZ-CG2 3.7Å; F114-V117 CarbonylContact O-C 3.34Å; F114-V117 WeakPolarHBondContact O-CA 3.46Å; F114-V117 PolarHBondContact O-N 3.49Å; A115-V117 VanDerWaalsContact C-N 3.33Å; A115-V117 PolarHBondContact O-N 3.39Å; V117-T119 VanDerWaalsContact C-N 3.28Å; V117-T119 PolarHBondContact O-N 2.91Å; V117-K356 WeakPolarHBondContact O-CD 3.45Å; V117-K356 WeakPolarHBondContact O-CE 3.42Å
118	A	95	Very high	97.5	Very high	4 Å²	4	28 Å²	28	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	59.1	34.5	-175	0	0	0	0	0	114.2	F114 A115 K489	F114-A118 PolarHBondContact O-N 3.47Å; A115-A118 PolarHBondContact O-N 3.43Å; A118-K489 HydrophobicContact CB-CB 4.02Å; A118-K489 HydrophobicContact CB-CD 4.01Å
119	T	97.6	Very high	97.6	Very high	33 Å²	33	25.5 Å²	25.5	20%	0.202	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-41.7	179	-59.4	0	0	0	0	111.7	A115 G116 V117 S121 K356	A115-T119 PolarHBondContact O-N 3.41Å; G116-T119 WeakPolarHBondContact O-CB 3.22Å; G116-T119 PolarHBondContact O-OG1 2.93Å; V117-T119 VanDerWaalsContact C-N 3.28Å; V117-T119 PolarHBondContact O-N 2.91Å; T119-S121 PolarHBondContact O-N 3.37Å; T119-K356 CarbonylContact O-C 3.55Å
120	V	98.3	Very high	97.6	Very high	12 Å²	12	25.2 Å²	25.2	7%	0.073	16%	0.155	C	C	.	.			trans	-81	104.4	174.8	179.4	0	0	0	0	107.6	A115 P491	A115-V120 HydrophobicContact CB-CB 4.18Å; A115-V120 WeakPolarHBondContact CB-O 3.4Å; A115-V120 PolarHBondContact O-N 3.06Å; V120-P491 HydrophobicContact CG1-CG 4.11Å
121	S	95.6	Very high	97.6	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	17%	0.174	C	C	.	.	S	Bend	trans	-92.1	-54.6	-173.8	-140.7	0	0	0	0	112.2	T119 N360 M492	T119-S121 PolarHBondContact O-N 3.37Å; S121-N360 PolarHBondContact N-OD1 3.32Å; S121-M492 WeakPolarHBondContact O-CB 3.36Å; S121-M492 WeakPolarHBondContact O-CG 3.45Å; S121-M492 PolarHBondContact O-N 3.2Å; S121-M492 VanDerWaalsContact OG-CE 3.3Å; S121-M492 WeakPolarHBondContact OG-CE 3.45Å
122	V	98.4	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-95.7	-1	-175.2	-63.2	0	0	0	0	113.6	H126 V129 N360 V399 T402 I403	V122-H126 HydrophobicContact CG2-CB 4.04Å; V122-V129 HydrophobicContact CG2-CG2 4Å; V122-N360 HydrophobicContact CG2-CB 4.16Å; V122-N360 PolarHBondContact N-OD1 3.34Å; V122-V399 HydrophobicContact CG1-CG1 4.39Å; V122-V399 HydrophobicContact CG2-CG2 4.49Å; V122-T402 HydrophobicContact CB-CG2 3.71Å; V122-T402 HydrophobicContact CG1-CG2 3.79Å; V122-T402 HydrophobicContact CG2-CG2 3.98Å; V122-I403 HydrophobicContact CG1-CG1 3.62Å
123	G	98.3	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.188	C	C	.	.			trans	120.3	151.6	176.8	0	0	0	0	0	113.2	M99 C125 N360	M99-G123 CarbonylContact O-C 3.51Å; M99-G123 WeakPolarHBondContact O-CA 3.09Å; G123-C125 PolarHBondContact O-N 3.49Å; G123-N360 PolarHBondContact O-ND2 2.9Å
124	H	98.6	Very high	97.5	Very high	28 Å²	28	33 Å²	33	13%	0.13	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-60.6	130.8	176.2	-68.7	-70.9	0	0	0	110.1	H98 M99 L102 D112 H126	H98-H124 WeakPolarHBondContact CA-O 3.4Å; M99-H124 PolarHBondContact N-O 3.48Å; M99-H124 PolarHBondContact O-CD2 3.28Å; M99-H124 VanDerWaalsContact O-CD2 3.25Å; M99-H124 PolarHBondContact O-N 3.07Å; L102-H124 WeakPolarHBondContact CD2-NE2 3.41Å; D112-H124 IonicContact OD2-CD2 3.17Å; D112-H124 IonicContact OD2-CE1 3.54Å; D112-H124 IonicContact OD2-NE2 2.67Å; D112-H124 PolarHBondContact OD2-NE2 2.94Å; H124-H126 PolarHBondContact O-N 2.89Å; H124-H126 VanDerWaalsContact O-N 3.11Å
125	C	97.4	Very high	97.6	Very high	85 Å²	85	39.9 Å²	39.9	57%	0.574	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	30	177	-61.3	0	0	0	0	115.1	G123 T130	G123-C125 PolarHBondContact O-N 3.49Å; C125-T130 PolarHBondContact O-OG1 2.76Å; C125-T130 VanDerWaalsContact O-OG1 3.07Å
126	H	98.4	Very high	97.6	Very high	15 Å²	15	41.2 Å²	41.2	7%	0.069	24%	0.244	C	C	.	.			trans	-46.2	120.5	-175.4	-170	-96.9	0	0	0	112.8	M99 V122 H124 K128 V129 T130 T402 D406	M99-H126 VanDerWaalsContact SD-CD2 3.59Å; V122-H126 HydrophobicContact CG2-CB 4.04Å; H124-H126 PolarHBondContact O-N 2.89Å; H124-H126 VanDerWaalsContact O-N 3.11Å; H126-K128 VanDerWaalsContact C-N 3.32Å; H126-K128 PolarHBondContact O-N 3.46Å; H126-K128 VanDerWaalsContact O-N 3.12Å; H126-V129 HydrophobicContact CB-CB 4.21Å; H126-V129 HydrophobicContact CB-CG2 4.06Å; H126-V129 PolarHBondContact O-N 2.75Å; H126-T130 PolarHBondContact O-N 2.86Å; H126-T130 PolarHBondContact O-OG1 2.87Å; H126-T402 WeakPolarHBondContact CE1-CG2 3.39Å; H126-D406 IonicContact CE1-OD2 3.22Å; H126-D406 IonicContact NE2-OD2 3.38Å; H126-D406 PolarHBondContact NE2-OD2 3.26Å
127	P	97.6	Very high	97.8	Very high	80 Å²	80	42.1 Å²	42.1	52%	0.519	24%	0.239	S	C	.	.	H	α-helix	trans	-53.5	-42.9	-166	-30.5	35.6	0	0	0	114.7	A131	P127-A131 VanDerWaalsContact O-CB 3.31Å; P127-A131 WeakPolarHBondContact O-CB 3.46Å; P127-A131 PolarHBondContact O-N 3.48Å
128	K	98.3	Very high	98	Very high	64 Å²	64	47.4 Å²	47.4	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-39.3	178.3	-175.6	178.3	175.6	-174.5	0	112.9	H126 A132 D401 E405	H126-K128 VanDerWaalsContact C-N 3.32Å; H126-K128 PolarHBondContact O-N 3.46Å; H126-K128 VanDerWaalsContact O-N 3.12Å; K128-A132 WeakPolarHBondContact O-CB 3.28Å; K128-A132 PolarHBondContact O-N 2.82Å; K128-A132 VanDerWaalsContact O-N 3.07Å; K128-D401 VanDerWaalsContact NZ-CB 3.32Å; K128-E405 IonicContact NZ-OE1 3.67Å; K128-E405 PolarHBondContact NZ-OE1 2.98Å; K128-E405 IonicContact NZ-OE2 2.72Å; K128-E405 PolarHBondContact NZ-OE2 3.08Å
129	V	98.6	Very high	98.1	Very high	10 Å²	10	55.4 Å²	55.4	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-73.4	-42.5	-179.4	-177.9	0	0	0	0	110.2	V122 H126 A132 A133 V395 A398 V399	V122-V129 HydrophobicContact CG2-CG2 4Å; H126-V129 HydrophobicContact CB-CB 4.21Å; H126-V129 HydrophobicContact CB-CG2 4.06Å; H126-V129 PolarHBondContact O-N 2.75Å; V129-A132 PolarHBondContact O-N 2.97Å; V129-A133 PolarHBondContact O-N 2.98Å; V129-V395 HydrophobicContact CG1-CG1 3.81Å; V129-A398 HydrophobicContact CG2-CB 4.5Å; V129-V399 HydrophobicContact CG1-CG2 3.86Å; V129-V399 HydrophobicContact CG2-CG2 3.82Å
130	T	98.5	Very high	98.2	Very high	53 Å²	53	57.2 Å²	57.2	33%	0.325	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-47.8	173.7	-54.9	0	0	0	0	111.2	C125 H126 A132 A133 E134	C125-T130 PolarHBondContact O-OG1 2.76Å; C125-T130 VanDerWaalsContact O-OG1 3.07Å; H126-T130 PolarHBondContact O-N 2.86Å; H126-T130 PolarHBondContact O-OG1 2.87Å; T130-A132 VanDerWaalsContact C-N 3.35Å; T130-A132 PolarHBondContact O-N 3.43Å; T130-A133 WeakPolarHBondContact O-CB 3.39Å; T130-A133 PolarHBondContact O-N 3.45Å; T130-E134 PolarHBondContact O-N 2.87Å
131	A	98.6	Very high	98.1	Very high	57 Å²	57	65 Å²	65	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-38	177.7	0	0	0	0	0	113	P127 K135	P127-A131 VanDerWaalsContact O-CB 3.31Å; P127-A131 WeakPolarHBondContact O-CB 3.46Å; P127-A131 PolarHBondContact O-N 3.48Å; A131-K135 VanDerWaalsContact O-CB 3.28Å; A131-K135 WeakPolarHBondContact O-CB 3.18Å; A131-K135 PolarHBondContact O-N 2.96Å
132	A	98.6	Very high	98.2	Very high	24 Å²	24	68.4 Å²	68.4	20%	0.198	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-43.2	174.2	0	0	0	0	0	112	K128 V129 T130 Q136 A398	K128-A132 WeakPolarHBondContact O-CB 3.28Å; K128-A132 PolarHBondContact O-N 2.82Å; K128-A132 VanDerWaalsContact O-N 3.07Å; V129-A132 PolarHBondContact O-N 2.97Å; T130-A132 VanDerWaalsContact C-N 3.35Å; T130-A132 PolarHBondContact O-N 3.43Å; A132-Q136 PolarHBondContact O-N 3.34Å; A132-Q136 VanDerWaalsContact O-N 3.13Å; A132-A398 HydrophobicContact CB-CB 3.48Å; A132-A398 VanDerWaalsContact CB-CB 3.48Å
133	A	98.3	Very high	98.1	Very high	16 Å²	16	69.9 Å²	69.9	13%	0.132	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-55	173.9	0	0	0	0	0	110.9	V129 T130 K135 Q136 L137 V395	V129-A133 PolarHBondContact O-N 2.98Å; T130-A133 WeakPolarHBondContact O-CB 3.39Å; T130-A133 PolarHBondContact O-N 3.45Å; A133-K135 VanDerWaalsContact C-N 3.33Å; A133-K135 PolarHBondContact O-N 3Å; A133-Q136 PolarHBondContact O-N 2.91Å; A133-Q136 VanDerWaalsContact O-N 3.14Å; A133-L137 HydrophobicContact CB-CD1 4.45Å; A133-L137 WeakPolarHBondContact O-CB 3.25Å; A133-L137 WeakPolarHBondContact O-CG 3.16Å; A133-L137 PolarHBondContact O-N 3.33Å; A133-V395 HydrophobicContact CB-CG2 3.65Å
134	E	98.6	Very high	97.9	Very high	91 Å²	91	70.9 Å²	70.9	43%	0.425	36%	0.358	S	S	.	.	H	α-helix	trans	-56.3	-44	179.8	-77.2	-168.2	-158.4	0	0	113.4	T130 Q136 L137 K138	T130-E134 PolarHBondContact O-N 2.87Å; E134-Q136 VanDerWaalsContact C-N 3.31Å; E134-Q136 PolarHBondContact O-N 2.77Å; E134-L137 PolarHBondContact O-N 2.83Å; E134-K138 WeakPolarHBondContact O-CD 3.24Å; E134-K138 VanDerWaalsContact O-CG 3.3Å; E134-K138 WeakPolarHBondContact O-CG 3.39Å; E134-K138 PolarHBondContact O-N 3.46Å; E134-K138 IonicContact OE2-NZ 2.96Å; E134-K138 PolarHBondContact OE2-NZ 2.87Å
135	K	98.6	Very high	97.6	Very high	168 Å²	168	73.5 Å²	73.5	73%	0.73	37%	0.369	S	S	*	.	H	α-helix	trans	-60.6	-42.6	178.5	-178.3	-179.4	178	-177	0	111.2	A131 A133	A131-K135 VanDerWaalsContact O-CB 3.28Å; A131-K135 WeakPolarHBondContact O-CB 3.18Å; A131-K135 PolarHBondContact O-N 2.96Å; A133-K135 VanDerWaalsContact C-N 3.33Å; A133-K135 PolarHBondContact O-N 3Å
136	Q	98.5	Very high	97.5	Very high	28 Å²	28	74.6 Å²	74.6	13%	0.131	37%	0.368	C	S	.	.	H	α-helix	trans	-75	-37.3	178.9	-172.5	54.2	41.2	0	0	112.2	A132 A133 E134 K138 K139 L140 P390 V391 A394	A132-Q136 PolarHBondContact O-N 3.34Å; A132-Q136 VanDerWaalsContact O-N 3.13Å; A133-Q136 PolarHBondContact O-N 2.91Å; A133-Q136 VanDerWaalsContact O-N 3.14Å; E134-Q136 VanDerWaalsContact C-N 3.31Å; E134-Q136 PolarHBondContact O-N 2.77Å; Q136-K138 VanDerWaalsContact C-N 3.25Å; Q136-K138 PolarHBondContact O-N 3.02Å; Q136-K139 PolarHBondContact O-N 2.8Å; Q136-L140 PolarHBondContact NE2-O 2.94Å; Q136-L140 CarbonylContact O-C 3.56Å; Q136-L140 PolarHBondContact O-N 3.21Å; Q136-P390 HydrophobicContact CG-CB 4.36Å; Q136-V391 HydrophobicContact CB-CG2 4.47Å; Q136-V391 HydrophobicContact CG-CB 4.38Å; Q136-V391 HydrophobicContact CG-CG2 3.96Å; Q136-A394 HydrophobicContact CB-CB 3.7Å; Q136-A394 HydrophobicContact CG-CB 3.79Å
137	L	98	Very high	97.4	Very high	62 Å²	62	81.1 Å²	81.1	33%	0.325	39%	0.394	S	S	.	.	H	α-helix	trans	-60.2	-32.7	172.9	-70.8	165.6	0	0	0	112.1	A133 E134 K139 W141 V391	A133-L137 HydrophobicContact CB-CD1 4.45Å; A133-L137 WeakPolarHBondContact O-CB 3.25Å; A133-L137 WeakPolarHBondContact O-CG 3.16Å; A133-L137 PolarHBondContact O-N 3.33Å; E134-L137 PolarHBondContact O-N 2.83Å; L137-K139 VanDerWaalsContact C-N 3.28Å; L137-K139 PolarHBondContact O-N 2.83Å; L137-W141 HydrophobicContact CD2-CD2 3.88Å; L137-W141 HydrophobicContact CD2-CG 4.09Å; L137-W141 HydrophobicContact CD2-CZ2 3.79Å; L137-W141 VanDerWaalsContact CD2-NE1 3.34Å; L137-W141 PolarHBondContact O-NE1 3.48Å; L137-V391 HydrophobicContact CD2-CG1 4Å; L137-V391 HydrophobicContact CD2-CG2 3.77Å; L137-V391 HydrophobicContact CG-CG1 4.06Å; L137-V391 HydrophobicContact CG-CG2 4.17Å
138	K	98.3	Very high	97.4	Very high	163 Å²	163	83.5 Å²	83.5	71%	0.709	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.8	174.3	-69.9	162.1	-174.1	160.3	0	113.6	E134 Q136	E134-K138 WeakPolarHBondContact O-CD 3.24Å; E134-K138 VanDerWaalsContact O-CG 3.3Å; E134-K138 WeakPolarHBondContact O-CG 3.39Å; E134-K138 PolarHBondContact O-N 3.46Å; E134-K138 IonicContact OE2-NZ 2.96Å; E134-K138 PolarHBondContact OE2-NZ 2.87Å; Q136-K138 VanDerWaalsContact C-N 3.25Å; Q136-K138 PolarHBondContact O-N 3.02Å
139	K	98.1	Very high	97.4	Very high	173 Å²	173	81.1 Å²	81.1	75%	0.752	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-55.7	-174.5	-175.4	-179.2	178.9	-175.5	0	113.6	Q136 L137	Q136-K139 PolarHBondContact O-N 2.8Å; L137-K139 VanDerWaalsContact C-N 3.28Å; L137-K139 PolarHBondContact O-N 2.83Å
140	L	98	Very high	97.3	Very high	70 Å²	70	84.6 Å²	84.6	37%	0.366	42%	0.418	S	S	.	.			trans	-160	109	-179.7	176.7	64.8	0	0	0	109.4	Q136 T143 P390	Q136-L140 PolarHBondContact NE2-O 2.94Å; Q136-L140 CarbonylContact O-C 3.56Å; Q136-L140 PolarHBondContact O-N 3.21Å; L140-T143 HydrophobicContact CD2-CG2 3.95Å; L140-P390 HydrophobicContact CD2-CG 4.01Å; L140-P390 HydrophobicContact CG-CG 4.19Å
141	W	96.3	Very high	97.3	Very high	177 Å²	177	82.9 Å²	82.9	67%	0.67	41%	0.409	S	S	*	.	S	Bend	trans	-68.1	-49.8	176.2	-88	43.1	0	0	0	112.6	L137 N389	L137-W141 HydrophobicContact CD2-CD2 3.88Å; L137-W141 HydrophobicContact CD2-CG 4.09Å; L137-W141 HydrophobicContact CD2-CZ2 3.79Å; L137-W141 VanDerWaalsContact CD2-NE1 3.34Å; L137-W141 PolarHBondContact O-NE1 3.48Å; W141-N389 PolarHBondContact O-ND2 2.72Å; W141-N389 PolarHBondContact O-OD1 3.12Å
142	H	97.7	Very high	97.3	Very high	73 Å²	73	81.3 Å²	81.3	34%	0.338	39%	0.393	S	S	.	.			trans	-150.9	129.6	-169.6	-177.8	43.3	0	0	0	111.4	T385 N389	H142-T385 PolarHBondContact CE1-O 3.15Å; H142-N389 PolarHBondContact ND1-ND2 2.99Å
143	T	96.3	Very high	97.2	Very high	30 Å²	30	84.2 Å²	84.2	18%	0.184	40%	0.403	C	S	.	.			trans	-140.2	162	150.2	-170.7	0	0	0	0	106.6	L140 Y147 Y149 P390	L140-T143 HydrophobicContact CD2-CG2 3.95Å; T143-Y147 VanDerWaalsContact OG1-CD2 3.28Å; T143-Y147 WeakPolarHBondContact OG1-CD2 3.43Å; T143-Y149 HydrophobicContact CG2-CD1 3.25Å; T143-Y149 HydrophobicContact CG2-CD2 4.39Å; T143-Y149 HydrophobicContact CG2-CE1 3.56Å; T143-Y149 HydrophobicContact CG2-CG 3.73Å; T143-P390 HydrophobicContact CG2-CG 4.15Å
144	T	94.3	Very high	97.3	Very high	21 Å²	21	88.9 Å²	88.9	13%	0.129	42%	0.421	C	S	.	.			trans	-95.9	158.9	178.8	73.6	0	0	0	0	109.4	I146 Y147 F383 T385	T144-I146 PolarHBondContact O-N 2.84Å; T144-I146 WeakPolarHBondContact OG1-CD1 3.45Å; T144-I146 VanDerWaalsContact OG1-CG1 3.29Å; T144-I146 WeakPolarHBondContact OG1-CG1 3.28Å; T144-Y147 PolarHBondContact O-N 2.81Å; T144-Y147 VanDerWaalsContact O-N 3.08Å; T144-F383 HydrophobicContact CG2-CE2 4.46Å; T144-F383 HydrophobicContact CG2-CZ 3.87Å; T144-T385 HydrophobicContact CG2-CG2 4.44Å
145	F	93	Very high	97.3	Very high	83 Å²	83	84.6 Å²	84.6	36%	0.364	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	1.7	-178	66.5	-104.9	0	0	0	115.5	Y147 L152 F383	F145-Y147 CarbonylContact C-O 3.59Å; F145-Y147 PolarHBondContact O-N 3.25Å; F145-L152 HydrophobicContact CB-CD2 3.7Å; F145-F383 HydrophobicContact CE1-CD2 4.16Å; F145-F383 HydrophobicContact CE1-CE2 4.43Å; F145-F383 HydrophobicContact CE2-CD2 4.24Å; F145-F383 AromaticContact CZ-CD2 3.83Å; F145-F383 HydrophobicContact CZ-CD2 3.83Å; F145-F383 HydrophobicContact CZ-CE2 4.45Å
146	I	95.3	Very high	97.3	Very high	109 Å²	109	77.9 Å²	77.9	56%	0.559	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.1	167.1	78.8	-168.1	0	0	0	111.4	T144 F383	T144-I146 PolarHBondContact O-N 2.84Å; T144-I146 WeakPolarHBondContact OG1-CD1 3.45Å; T144-I146 VanDerWaalsContact OG1-CG1 3.29Å; T144-I146 WeakPolarHBondContact OG1-CG1 3.28Å; I146-F383 HydrophobicContact CG2-CD2 4.17Å; I146-F383 HydrophobicContact CG2-CE2 3.74Å
147	Y	97	Very high	97.3	Very high	152 Å²	152	83.8 Å²	83.8	60%	0.596	40%	0.403	S	S	*	.	S	Bend	trans	-103.4	146.7	169.7	-55.6	-73	0	0	0	109.4	T143 T144 F145 Y149	T143-Y147 VanDerWaalsContact OG1-CD2 3.28Å; T143-Y147 WeakPolarHBondContact OG1-CD2 3.43Å; T144-Y147 PolarHBondContact O-N 2.81Å; T144-Y147 VanDerWaalsContact O-N 3.08Å; F145-Y147 CarbonylContact C-O 3.59Å; F145-Y147 PolarHBondContact O-N 3.25Å; Y147-Y149 WeakPolarHBondContact O-CD1 3.24Å; Y147-Y149 WeakPolarHBondContact O-CE1 3.3Å
148	V	97.3	Very high	97.3	Very high	130 Å²	130	83.4 Å²	83.4	79%	0.788	40%	0.399	S	S	*	.			trans	-84.6	129.9	177.1	-176.2	0	0	0	0	109.7
149	Y	97.3	Very high	97.3	Very high	14 Å²	14	75.6 Å²	75.6	6%	0.055	37%	0.365	C	S	.	.			trans	-148.1	128.7	175.9	54	-82.1	0	0	0	110.8	T143 Y147 A151 L152 Q153 G388 P390	T143-Y149 HydrophobicContact CG2-CD1 3.25Å; T143-Y149 HydrophobicContact CG2-CD2 4.39Å; T143-Y149 HydrophobicContact CG2-CE1 3.56Å; T143-Y149 HydrophobicContact CG2-CG 3.73Å; Y147-Y149 WeakPolarHBondContact O-CD1 3.24Å; Y147-Y149 WeakPolarHBondContact O-CE1 3.3Å; Y149-A151 VanDerWaalsContact C-N 3.3Å; Y149-A151 HydrophobicContact CD2-CB 4.39Å; Y149-A151 PolarHBondContact O-N 3.31Å; Y149-L152 HydrophobicContact CD2-CB 4.01Å; Y149-L152 HydrophobicContact CE1-CD2 4.35Å; Y149-L152 HydrophobicContact CE2-CB 3.5Å; Y149-L152 PolarHBondContact O-N 3.26Å; Y149-L152 VanDerWaalsContact O-N 3.16Å; Y149-Q153 VanDerWaalsContact C-OE1 3.29Å; Y149-Q153 PolarHBondContact O-OE1 3.44Å; Y149-G388 WeakPolarHBondContact CE2-O 3.38Å; Y149-G388 PolarHBondContact OH-O 2.83Å; Y149-P390 HydrophobicContact CD2-CB 4.33Å; Y149-P390 HydrophobicContact CD2-CG 3.79Å; Y149-P390 HydrophobicContact CE2-CB 4.37Å; Y149-P390 HydrophobicContact CE2-CG 3.7Å; Y149-P390 HydrophobicContact CG-CG 4.49Å
150	P	97.3	Very high	97.4	Very high	83 Å²	83	68.3 Å²	68.3	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-53.3	-38.5	-165.5	-30.3	34.7	0	0	0	115.9	L152 Q153 E154	P150-L152 PolarHBondContact O-N 3.32Å; P150-Q153 PolarHBondContact O-N 2.8Å; P150-E154 HydrophobicContact CB-CG 4.4Å; P150-E154 WeakPolarHBondContact CB-OE1 3.38Å; P150-E154 WeakPolarHBondContact O-CB 3.22Å; P150-E154 VanDerWaalsContact O-CG 3.29Å; P150-E154 WeakPolarHBondContact O-CG 3.42Å; P150-E154 PolarHBondContact O-N 2.86Å
151	A	97.9	Very high	97.4	Very high	16 Å²	16	69.3 Å²	69.3	13%	0.132	35%	0.35	C	S	.	.	H	α-helix	trans	-55.1	-30.9	-176.5	0	0	0	0	0	113.7	Y149 Y155 C393	Y149-A151 VanDerWaalsContact C-N 3.3Å; Y149-A151 HydrophobicContact CD2-CB 4.39Å; Y149-A151 PolarHBondContact O-N 3.31Å; A151-Y155 WeakPolarHBondContact O-CB 3.38Å; A151-Y155 PolarHBondContact O-N 3.38Å; A151-Y155 VanDerWaalsContact O-N 3.14Å; A151-C393 HydrophobicContact CB-CB 4.19Å; A151-C393 WeakPolarHBondContact O-CB 3.23Å
152	L	98.2	Very high	97.5	Very high	24 Å²	24	64 Å²	64	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-70.1	-49.4	173.8	174.4	61.9	0	0	0	111.6	F145 Y149 P150 Y155 C156 L172	F145-L152 HydrophobicContact CB-CD2 3.7Å; Y149-L152 HydrophobicContact CD2-CB 4.01Å; Y149-L152 HydrophobicContact CE1-CD2 4.35Å; Y149-L152 HydrophobicContact CE2-CB 3.5Å; Y149-L152 PolarHBondContact O-N 3.26Å; Y149-L152 VanDerWaalsContact O-N 3.16Å; P150-L152 PolarHBondContact O-N 3.32Å; L152-Y155 PolarHBondContact O-N 2.95Å; L152-C156 WeakPolarHBondContact O-CB 3.48Å; L152-C156 PolarHBondContact O-N 3.4Å; L152-C156 PolarHBondContact O-SG 2.88Å; L152-C156 VanDerWaalsContact O-SG 3.33Å; L152-L172 HydrophobicContact CD1-CD1 3.55Å
153	Q	98.1	Very high	97.5	Very high	86 Å²	86	61.2 Å²	61.2	40%	0.402	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-47.2	-179.3	-71.9	76.7	45.6	0	0	111.2	Y149 P150 Y155 C156 E157	Y149-Q153 VanDerWaalsContact C-OE1 3.29Å; Y149-Q153 PolarHBondContact O-OE1 3.44Å; P150-Q153 PolarHBondContact O-N 2.8Å; Q153-Y155 VanDerWaalsContact C-N 3.31Å; Q153-Y155 PolarHBondContact O-N 3.23Å; Q153-C156 PolarHBondContact O-N 2.74Å; Q153-E157 WeakPolarHBondContact O-CB 3.33Å; Q153-E157 PolarHBondContact O-N 3.13Å
154	E	98.4	Very high	97.6	Very high	113 Å²	113	61.4 Å²	61.4	53%	0.528	32%	0.319	S	S	.	.	H	α-helix	trans	-55	-44.5	175.7	-69.6	166.2	-169.6	0	0	111.5	P150 K158	P150-E154 HydrophobicContact CB-CG 4.4Å; P150-E154 WeakPolarHBondContact CB-OE1 3.38Å; P150-E154 WeakPolarHBondContact O-CB 3.22Å; P150-E154 VanDerWaalsContact O-CG 3.29Å; P150-E154 WeakPolarHBondContact O-CG 3.42Å; P150-E154 PolarHBondContact O-N 2.86Å; E154-K158 WeakPolarHBondContact O-CB 3.27Å; E154-K158 PolarHBondContact O-N 2.65Å
155	Y	98.7	Very high	97.7	Very high	1 Å²	1	65.9 Å²	65.9	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-73.3	-40.8	179.4	-177.7	-110.3	0	0	0	112.9	A151 L152 Q153 K158 L159 L172 I358 M364 C393 A396 L400	A151-Y155 WeakPolarHBondContact O-CB 3.38Å; A151-Y155 PolarHBondContact O-N 3.38Å; A151-Y155 VanDerWaalsContact O-N 3.14Å; L152-Y155 PolarHBondContact O-N 2.95Å; Q153-Y155 VanDerWaalsContact C-N 3.31Å; Q153-Y155 PolarHBondContact O-N 3.23Å; Y155-K158 PolarHBondContact O-N 2.68Å; Y155-L159 HydrophobicContact CE1-CB 4.46Å; Y155-L159 HydrophobicContact CE1-CD2 4.09Å; Y155-L159 HydrophobicContact CE2-CB 4.48Å; Y155-L159 VanDerWaalsContact O-CB 3.28Å; Y155-L159 WeakPolarHBondContact O-CB 3.49Å; Y155-L159 PolarHBondContact O-N 3.02Å; Y155-L172 HydrophobicContact CD1-CD1 4Å; Y155-L172 HydrophobicContact CD1-CD2 4.32Å; Y155-L172 HydrophobicContact CE1-CD1 4.41Å; Y155-L172 HydrophobicContact CE1-CD2 3.96Å; Y155-I358 WeakPolarHBondContact OH-CD1 3.25Å; Y155-I358 WeakPolarHBondContact OH-CG1 3.34Å; Y155-M364 HydrophobicContact CD1-CE 4.36Å; Y155-M364 HydrophobicContact CD1-SD 4.37Å; Y155-M364 HydrophobicContact CE1-CE 4.12Å; Y155-M364 HydrophobicContact CE1-SD 3.57Å; Y155-M364 VanDerWaalsContact CE1-SD 3.57Å; Y155-C393 HydrophobicContact CG-CB 4.28Å; Y155-A396 HydrophobicContact CD2-CB 4.07Å; Y155-A396 HydrophobicContact CE1-CB 4.05Å; Y155-A396 VanDerWaalsContact CE2-C 3.46Å; Y155-A396 HydrophobicContact CE2-CB 3.42Å; Y155-A396 VanDerWaalsContact CE2-CB 3.42Å; Y155-A396 VanDerWaalsContact CZ-CB 3.43Å; Y155-L400 HydrophobicContact CD2-CD1 4.41Å; Y155-L400 HydrophobicContact CE2-CD1 3.69Å; Y155-L400 HydrophobicContact CE2-CG 4.41Å
156	C	98.8	Very high	98	Very high	28 Å²	28	65 Å²	65	19%	0.189	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-42.4	176.7	-75.2	0	0	0	0	112.2	L152 Q153 A160 V170	L152-C156 WeakPolarHBondContact O-CB 3.48Å; L152-C156 PolarHBondContact O-N 3.4Å; L152-C156 PolarHBondContact O-SG 2.88Å; L152-C156 VanDerWaalsContact O-SG 3.33Å; Q153-C156 PolarHBondContact O-N 2.74Å; C156-A160 VanDerWaalsContact O-CB 3.26Å; C156-A160 WeakPolarHBondContact O-CB 3.36Å; C156-A160 PolarHBondContact O-N 3.25Å; C156-V170 HydrophobicContact CB-CB 4.26Å; C156-V170 HydrophobicContact CB-CG2 4.44Å
157	E	98.6	Very high	98.1	Very high	152 Å²	152	59.9 Å²	59.9	71%	0.71	32%	0.319	S	S	*	.	H	α-helix	trans	-62.2	-49.9	173.6	179.6	175.5	-135.6	0	0	110.9	Q153 L159 A160 S161	Q153-E157 WeakPolarHBondContact O-CB 3.33Å; Q153-E157 PolarHBondContact O-N 3.13Å; E157-L159 PolarHBondContact O-N 3.44Å; E157-A160 PolarHBondContact O-N 2.86Å; E157-S161 PolarHBondContact O-N 3.28Å; E157-S161 VanDerWaalsContact O-N 3.13Å
158	K	98.6	Very high	98.2	Very high	53 Å²	53	57.8 Å²	57.8	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-50.3	178.3	-174.1	-179.6	-69.2	-172.7	0	111.1	E154 Y155 A160 S161 Y162 S397 L400 D401	E154-K158 WeakPolarHBondContact O-CB 3.27Å; E154-K158 PolarHBondContact O-N 2.65Å; Y155-K158 PolarHBondContact O-N 2.68Å; K158-A160 PolarHBondContact O-N 2.9Å; K158-S161 PolarHBondContact O-N 3.16Å; K158-S161 PolarHBondContact O-OG 2.84Å; K158-Y162 HydrophobicContact CG-CE2 4.2Å; K158-Y162 VanDerWaalsContact O-CD2 3.23Å; K158-Y162 WeakPolarHBondContact O-CD2 3.29Å; K158-S397 PolarHBondContact NZ-OG 2.98Å; K158-L400 HydrophobicContact CD-CB 4.11Å; K158-L400 HydrophobicContact CD-CD1 3.91Å; K158-L400 HydrophobicContact CG-CD1 3.84Å; K158-D401 WeakPolarHBondContact CE-OD1 3.4Å; K158-D401 IonicContact NZ-OD1 2.78Å; K158-D401 PolarHBondContact NZ-OD1 2.9Å; K158-D401 IonicContact NZ-OD2 2.68Å; K158-D401 PolarHBondContact NZ-OD2 3.37Å
159	L	98.8	Very high	98.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-45.8	-179.9	178.9	60.8	0	0	0	111.6	Y155 E157 S161 Y162 L163 V170 F332 W340 M354 A366 V368	Y155-L159 HydrophobicContact CE1-CB 4.46Å; Y155-L159 HydrophobicContact CE1-CD2 4.09Å; Y155-L159 HydrophobicContact CE2-CB 4.48Å; Y155-L159 VanDerWaalsContact O-CB 3.28Å; Y155-L159 WeakPolarHBondContact O-CB 3.49Å; Y155-L159 PolarHBondContact O-N 3.02Å; E157-L159 PolarHBondContact O-N 3.44Å; L159-S161 PolarHBondContact O-N 3.32Å; L159-Y162 PolarHBondContact O-N 3.42Å; L159-Y162 VanDerWaalsContact O-N 3.09Å; L159-L163 HydrophobicContact CD1-CD1 4.4Å; L159-L163 HydrophobicContact CG-CD1 4.38Å; L159-L163 VanDerWaalsContact O-CD1 3.29Å; L159-L163 WeakPolarHBondContact O-CD1 3.28Å; L159-V170 HydrophobicContact CD2-CG1 3.89Å; L159-V170 HydrophobicContact CD2-CG2 4.37Å; L159-F332 HydrophobicContact CD1-CE1 4.25Å; L159-F332 HydrophobicContact CD1-CZ 4.42Å; L159-W340 HydrophobicContact CD1-CH2 4.16Å; L159-W340 HydrophobicContact CD1-CZ2 4.16Å; L159-M354 HydrophobicContact CD1-SD 4.02Å; L159-M354 HydrophobicContact CD2-SD 3.93Å; L159-M354 HydrophobicContact CG-SD 4.49Å; L159-A366 HydrophobicContact CD2-CB 4.42Å; L159-V368 HydrophobicContact CD2-CG2 4.26Å
160	A	98.6	Very high	98.3	Very high	20 Å²	20	54.3 Å²	54.3	17%	0.165	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-33.7	179.3	0	0	0	0	0	112.5	C156 E157 K158 Y162 L163 V170	C156-A160 VanDerWaalsContact O-CB 3.26Å; C156-A160 WeakPolarHBondContact O-CB 3.36Å; C156-A160 PolarHBondContact O-N 3.25Å; E157-A160 PolarHBondContact O-N 2.86Å; K158-A160 PolarHBondContact O-N 2.9Å; A160-Y162 PolarHBondContact O-N 3.19Å; A160-L163 PolarHBondContact O-N 2.86Å; A160-V170 HydrophobicContact CB-CG2 4.34Å
161	S	98.3	Very high	98.3	Very high	91 Å²	91	51.6 Å²	51.6	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.6	178	73.9	0	0	0	0	114.8	E157 K158 L159	E157-S161 PolarHBondContact O-N 3.28Å; E157-S161 VanDerWaalsContact O-N 3.13Å; K158-S161 PolarHBondContact O-N 3.16Å; K158-S161 PolarHBondContact O-OG 2.84Å; L159-S161 PolarHBondContact O-N 3.32Å
162	Y	98.2	Very high	98.4	Very high	64 Å²	64	51.5 Å²	51.5	25%	0.251	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.7	172.6	-69.7	-81.6	0	0	0	114.1	K158 L159 A160 F339 W340 L400 I404	K158-Y162 HydrophobicContact CG-CE2 4.2Å; K158-Y162 VanDerWaalsContact O-CD2 3.23Å; K158-Y162 WeakPolarHBondContact O-CD2 3.29Å; L159-Y162 PolarHBondContact O-N 3.42Å; L159-Y162 VanDerWaalsContact O-N 3.09Å; A160-Y162 PolarHBondContact O-N 3.19Å; Y162-F339 HydrophobicContact CD1-CD1 4.39Å; Y162-F339 AromaticContact CD1-CD2 3.99Å; Y162-F339 HydrophobicContact CD1-CD2 3.99Å; Y162-F339 HydrophobicContact CD1-CE1 4.22Å; Y162-F339 AromaticContact CD1-CE2 3.81Å; Y162-F339 HydrophobicContact CD1-CE2 3.81Å; Y162-F339 HydrophobicContact CD1-CG 4.27Å; Y162-F339 AromaticContact CD1-CZ 3.93Å; Y162-F339 HydrophobicContact CD1-CZ 3.93Å; Y162-F339 HydrophobicContact CE1-CD2 4.48Å; Y162-F339 HydrophobicContact CE1-CE2 4.09Å; Y162-F339 HydrophobicContact CE1-CZ 4.43Å; Y162-F339 HydrophobicContact CG-CD1 4.49Å; Y162-F339 HydrophobicContact CG-CE1 4.12Å; Y162-F339 HydrophobicContact CG-CE2 4.44Å; Y162-F339 HydrophobicContact CG-CZ 4.1Å; Y162-W340 PolarHBondContact O-NE1 2.87Å; Y162-L400 HydrophobicContact CD2-CD1 4.3Å; Y162-L400 HydrophobicContact CD2-CD2 4.27Å; Y162-L400 HydrophobicContact CE2-CD1 4.26Å; Y162-L400 HydrophobicContact CE2-CD2 4.34Å; Y162-I404 HydrophobicContact CE1-CD1 4.01Å; Y162-I404 HydrophobicContact CE1-CG1 4.33Å; Y162-I404 WeakPolarHBondContact OH-CG1 3.42Å
163	L	98.6	Very high	98.4	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.084	27%	0.266	C	S	.	.	S	Bend	trans	-102.7	146.7	175.7	-75.1	95.7	0	0	0	111.5	L159 A160 L167 W340 V352 V368	L159-L163 HydrophobicContact CD1-CD1 4.4Å; L159-L163 HydrophobicContact CG-CD1 4.38Å; L159-L163 VanDerWaalsContact O-CD1 3.29Å; L159-L163 WeakPolarHBondContact O-CD1 3.28Å; A160-L163 PolarHBondContact O-N 2.86Å; L163-L167 HydrophobicContact CB-CB 4.11Å; L163-L167 WeakPolarHBondContact CB-O 3.44Å; L163-L167 HydrophobicContact CD2-CB 3.9Å; L163-L167 HydrophobicContact CD2-CD1 4.16Å; L163-W340 HydrophobicContact CD1-CZ2 3.72Å; L163-W340 HydrophobicContact CG-CZ2 4.13Å; L163-V352 HydrophobicContact CD2-CB 4.16Å; L163-V352 HydrophobicContact CD2-CG2 3.89Å; L163-V368 HydrophobicContact CD1-CG1 4.21Å; L163-V368 HydrophobicContact CD1-CG2 4.26Å; L163-V368 HydrophobicContact CD2-CB 3.77Å; L163-V368 HydrophobicContact CD2-CG1 3.7Å; L163-V368 HydrophobicContact CD2-CG2 4.3Å; L163-V368 HydrophobicContact CG-CG1 4.46Å
164	P	97.9	Very high	98.3	Very high	34 Å²	34	47.9 Å²	47.9	22%	0.221	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-72.2	145.5	172.7	31.1	-33.8	0	0	0	110.8	L167 F342 I348	P164-L167 HydrophobicContact CG-CD1 4.49Å; P164-L167 WeakPolarHBondContact O-CB 3.17Å; P164-L167 PolarHBondContact O-N 2.97Å; P164-F342 HydrophobicContact CG-CE2 4Å; P164-F342 HydrophobicContact CG-CZ 3.98Å; P164-I348 HydrophobicContact CB-CD1 4.3Å; P164-I348 HydrophobicContact CG-CD1 4.48Å; P164-I348 HydrophobicContact CG-CG1 4.3Å; P164-I348 HydrophobicContact CG-CG2 4.41Å
165	D	97.4	Very high	98.3	Very high	114 Å²	114	44.4 Å²	44.4	61%	0.61	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	143	167.8	-100.9	-46.7	0	0	0	110.6	K168	D165-K168 IonicContact OD1-NZ 2.85Å; D165-K168 PolarHBondContact OD1-NZ 3.48Å
166	P	97.8	Very high	98.3	Very high	65 Å²	65	44.9 Å²	44.9	42%	0.422	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.8	18.3	6.1	36	-34.1	0	0	0	115	K168 T370	P166-K168 PolarHBondContact O-N 3.05Å; P166-T370 HydrophobicContact CB-CG2 4.38Å; P166-T370 HydrophobicContact CG-CG2 3.82Å
167	L	98.7	Very high	98.3	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.25	C	S	.	.			trans	-80.3	98.9	-175.1	-64.8	165.2	0	0	0	111.4	L163 P164 F342 I348 P349 V352 V368 T370	L163-L167 HydrophobicContact CB-CB 4.11Å; L163-L167 WeakPolarHBondContact CB-O 3.44Å; L163-L167 HydrophobicContact CD2-CB 3.9Å; L163-L167 HydrophobicContact CD2-CD1 4.16Å; P164-L167 HydrophobicContact CG-CD1 4.49Å; P164-L167 WeakPolarHBondContact O-CB 3.17Å; P164-L167 PolarHBondContact O-N 2.97Å; L167-F342 HydrophobicContact CD1-CZ 4.38Å; L167-I348 HydrophobicContact CD1-CG2 3.99Å; L167-I348 HydrophobicContact CG-CG2 4.48Å; L167-P349 HydrophobicContact CD1-CG 4.1Å; L167-V352 HydrophobicContact CD1-CG2 3.84Å; L167-V368 HydrophobicContact CB-CG1 4.43Å; L167-T370 HydrophobicContact CD2-CG2 4.39Å
168	K	97.8	Very high	98.3	Very high	108 Å²	108	41 Å²	41	47%	0.47	23%	0.231	S	C	.	.			trans	-146.7	-3.9	-173.7	61	-170.8	157.8	-149.7	0	117	D165 P166 T369 P371	D165-K168 IonicContact OD1-NZ 2.85Å; D165-K168 PolarHBondContact OD1-NZ 3.48Å; P166-K168 PolarHBondContact O-N 3.05Å; K168-T369 PolarHBondContact N-O 2.95Å; K168-P371 HydrophobicContact CG-CG 4.22Å
169	V	98.6	Very high	98.3	Very high	47 Å²	47	38.5 Å²	38.5	29%	0.285	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.7	172.8	-174.7	0	0	0	0	109.1	I171 V368 T369 P371 A374	V169-I171 HydrophobicContact CG1-CD1 4.24Å; V169-V368 CarbonylContact O-C 3.48Å; V169-V368 VanDerWaalsContact O-CA 3.32Å; V169-V368 WeakPolarHBondContact O-CA 3.37Å; V169-T369 HydrophobicContact CB-CG2 4.22Å; V169-T369 PolarHBondContact N-O 3.16Å; V169-T369 PolarHBondContact O-N 3.18Å; V169-P371 HydrophobicContact CG2-CB 4.34Å; V169-P371 HydrophobicContact CG2-CG 4.15Å; V169-A374 HydrophobicContact CB-CB 3.91Å; V169-A374 HydrophobicContact CG1-CB 3.65Å; V169-A374 HydrophobicContact CG2-CB 4.02Å
170	V	98.6	Very high	98.3	Very high	23 Å²	23	38.5 Å²	38.5	14%	0.139	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128	-178	-177.3	0	0	0	0	109.9	C156 L159 A160 L172 A366 V368	C156-V170 HydrophobicContact CB-CB 4.26Å; C156-V170 HydrophobicContact CB-CG2 4.44Å; L159-V170 HydrophobicContact CD2-CG1 3.89Å; L159-V170 HydrophobicContact CD2-CG2 4.37Å; A160-V170 HydrophobicContact CB-CG2 4.34Å; V170-L172 HydrophobicContact CG1-CD2 3.54Å; V170-L172 HydrophobicContact CG1-CG 4.03Å; V170-A366 HydrophobicContact CG1-CB 4.45Å; V170-V368 HydrophobicContact CG1-CG2 4.41Å; V170-V368 HydrophobicContact CG2-CG1 4.2Å; V170-V368 HydrophobicContact CG2-CG2 4.08Å
171	I	98.4	Very high	98.2	Very high	27 Å²	27	39.4 Å²	39.4	14%	0.138	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.1	169.3	-50.7	87.2	0	0	0	108.2	V169 L182 M186 A366 V367 T369 F377	V169-I171 HydrophobicContact CG1-CD1 4.24Å; I171-L182 HydrophobicContact CB-CD2 4.09Å; I171-L182 HydrophobicContact CG2-CD2 3.66Å; I171-M186 HydrophobicContact CD1-CE 3.9Å; I171-M186 HydrophobicContact CD1-SD 4.27Å; I171-A366 CarbonylContact O-C 3.42Å; I171-A366 VanDerWaalsContact O-CA 3.29Å; I171-A366 WeakPolarHBondContact O-CA 3.49Å; I171-V367 PolarHBondContact N-O 3.42Å; I171-V367 PolarHBondContact O-N 3.37Å; I171-T369 HydrophobicContact CD1-CG2 4.06Å; I171-F377 HydrophobicContact CG1-CE1 4.4Å; I171-F377 HydrophobicContact CG2-CE1 4.38Å
172	L	98.4	Very high	98.2	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.068	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.3	-174.8	-60.3	178.2	0	0	0	112.1	L152 Y155 V170 M364 A366 G387	L152-L172 HydrophobicContact CD1-CD1 3.55Å; Y155-L172 HydrophobicContact CD1-CD1 4Å; Y155-L172 HydrophobicContact CD1-CD2 4.32Å; Y155-L172 HydrophobicContact CE1-CD1 4.41Å; Y155-L172 HydrophobicContact CE1-CD2 3.96Å; V170-L172 HydrophobicContact CG1-CD2 3.54Å; V170-L172 HydrophobicContact CG1-CG 4.03Å; L172-M364 HydrophobicContact CD2-SD 4.32Å; L172-A366 HydrophobicContact CD2-CB 3.7Å; L172-G387 WeakPolarHBondContact O-CA 3.07Å
173	T	98.3	Very high	98.2	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.025	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	-175	178.7	70.4	0	0	0	0	109.8	S175 E178 L182 M364 G365	T173-S175 PolarHBondContact OG1-O 2.97Å; T173-E178 WeakPolarHBondContact CB-OE2 3.49Å; T173-E178 HydrophobicContact CG2-CB 4.21Å; T173-L182 HydrophobicContact CG2-CD2 3.98Å; T173-M364 WeakPolarHBondContact O-CA 3.2Å; T173-G365 PolarHBondContact N-O 3.41Å; T173-G365 PolarHBondContact O-N 3.12Å; T173-G365 VanDerWaalsContact O-O 3.07Å; T173-G365 VanDerWaalsContact OG1-C 3.23Å; T173-G365 WeakPolarHBondContact OG1-CA 3.21Å; T173-G365 PolarHBondContact OG1-O 2.79Å
174	N	97.8	Very high	98.2	Very high	30 Å²	30	31.8 Å²	31.8	16%	0.16	18%	0.179	C	C	.	.	S	Bend	trans	-104.2	-12.1	-177.3	-46.5	-62.8	0	0	0	113.4	E178 M364 N384 F386 G387	N174-E178 PolarHBondContact N-OE2 2.89Å; N174-E178 PolarHBondContact ND2-OE1 3.33Å; N174-E178 VanDerWaalsContact ND2-OE1 3.15Å; N174-E178 PolarHBondContact ND2-OE2 2.8Å; N174-M364 PolarHBondContact O-N 3.09Å; N174-N384 PolarHBondContact ND2-ND2 2.87Å; N174-N384 PolarHBondContact ND2-OD1 2.94Å; N174-F386 WeakPolarHBondContact OD1-CB 3.48Å; N174-F386 PolarHBondContact OD1-O 2.72Å; N174-G387 PolarHBondContact OD1-N 3.19Å
175	S	98.4	Very high	98.2	Very high	40 Å²	40	35.2 Å²	35.2	28%	0.28	19%	0.19	S	C	.	.	S	Bend	trans	-157.8	164.8	-177.3	74.3	0	0	0	0	113.1	T173 S177 E178 A179	T173-S175 PolarHBondContact OG1-O 2.97Å; S175-S177 VanDerWaalsContact C-N 3.3Å; S175-S177 PolarHBondContact O-N 3.46Å; S175-S177 PolarHBondContact OG-N 3Å; S175-E178 PolarHBondContact O-N 3.47Å; S175-E178 PolarHBondContact OG-N 3.19Å; S175-A179 PolarHBondContact O-N 2.79Å
176	G	98.3	Very high	98.3	Very high	12 Å²	12	29.9 Å²	29.9	12%	0.124	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-32.7	174.1	0	0	0	0	0	113.3	A179 N180	G176-A179 PolarHBondContact O-N 3.15Å; G176-N180 WeakPolarHBondContact O-CB 3.39Å; G176-N180 PolarHBondContact O-N 2.98Å; G176-N180 PolarHBondContact O-ND2 3.06Å
177	S	98.1	Very high	98.3	Very high	32 Å²	32	26.8 Å²	26.8	22%	0.224	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-45	173.7	-56.6	0	0	0	0	111.1	S175 N180 D181 G206	S175-S177 VanDerWaalsContact C-N 3.3Å; S175-S177 PolarHBondContact O-N 3.46Å; S175-S177 PolarHBondContact OG-N 3Å; S177-N180 PolarHBondContact O-N 3.49Å; S177-D181 WeakPolarHBondContact O-CB 3.41Å; S177-D181 VanDerWaalsContact O-CG 3.23Å; S177-D181 PolarHBondContact O-N 3Å; S177-G206 PolarHBondContact OG-N 3.08Å
178	E	98.4	Very high	98.3	Very high	66 Å²	66	28.2 Å²	28.2	31%	0.308	15%	0.147	S	C	.	.	H	α-helix	trans	-64	-40.7	175.6	-72.8	-179.4	-159.3	0	0	112	T173 N174 S175 L182 N384	T173-E178 WeakPolarHBondContact CB-OE2 3.49Å; T173-E178 HydrophobicContact CG2-CB 4.21Å; N174-E178 PolarHBondContact N-OE2 2.89Å; N174-E178 PolarHBondContact ND2-OE1 3.33Å; N174-E178 VanDerWaalsContact ND2-OE1 3.15Å; N174-E178 PolarHBondContact ND2-OE2 2.8Å; S175-E178 PolarHBondContact O-N 3.47Å; S175-E178 PolarHBondContact OG-N 3.19Å; E178-L182 VanDerWaalsContact O-CB 3.24Å; E178-L182 WeakPolarHBondContact O-CB 3.17Å; E178-L182 PolarHBondContact O-N 2.7Å; E178-N384 PolarHBondContact OE2-ND2 3.36Å
179	A	98.8	Very high	98.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-43.8	175.6	0	0	0	0	0	111.7	S175 G176 L182 A183 T353 A366 V367	S175-A179 PolarHBondContact O-N 2.79Å; G176-A179 PolarHBondContact O-N 3.15Å; A179-L182 PolarHBondContact O-N 2.79Å; A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.37Å; A179-A183 PolarHBondContact O-N 2.99Å; A179-T353 HydrophobicContact CB-CG2 4.5Å; A179-A366 WeakPolarHBondContact CB-O 2.78Å; A179-V367 HydrophobicContact CB-CG2 4.09Å; A179-V367 WeakPolarHBondContact O-CG2 3.44Å
180	N	98.7	Very high	98.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-70.5	-41.3	178.6	-74.4	-23.5	0	0	0	112.6	G176 S177 L182 A183 M184 H204 A210 F291 D326 T353	G176-N180 WeakPolarHBondContact O-CB 3.39Å; G176-N180 PolarHBondContact O-N 2.98Å; G176-N180 PolarHBondContact O-ND2 3.06Å; S177-N180 PolarHBondContact O-N 3.49Å; N180-L182 VanDerWaalsContact C-N 3.32Å; N180-L182 PolarHBondContact O-N 2.81Å; N180-A183 PolarHBondContact O-N 2.8Å; N180-M184 VanDerWaalsContact O-CG 3.27Å; N180-M184 WeakPolarHBondContact O-CG 3.36Å; N180-M184 PolarHBondContact O-N 3.36Å; N180-H204 PolarHBondContact ND2-O 2.86Å; N180-A210 HydrophobicContact CB-CB 4.31Å; N180-F291 HydrophobicContact CB-CE1 4.26Å; N180-F291 WeakPolarHBondContact OD1-CE1 3.43Å; N180-D326 PolarHBondContact ND2-OD2 3.07Å; N180-T353 WeakPolarHBondContact OD1-CB 3.38Å; N180-T353 VanDerWaalsContact OD1-CG2 3.31Å; N180-T353 WeakPolarHBondContact OD1-CG2 3.48Å; N180-T353 PolarHBondContact OD1-OG1 3.49Å
181	D	97.6	Very high	98.3	Very high	38 Å²	38	27.6 Å²	27.6	20%	0.203	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-43.7	173.3	-72.8	-20.6	0	0	0	111.5	S177 M184 F185 S207 M209 A210	S177-D181 WeakPolarHBondContact O-CB 3.41Å; S177-D181 VanDerWaalsContact O-CG 3.23Å; S177-D181 PolarHBondContact O-N 3Å; D181-M184 PolarHBondContact O-N 3.09Å; D181-F185 PolarHBondContact O-N 2.74Å; D181-S207 PolarHBondContact OD1-OG 2.99Å; D181-S207 WeakPolarHBondContact OD2-CB 3.38Å; D181-S207 PolarHBondContact OD2-OG 3.34Å; D181-M209 WeakPolarHBondContact OD1-CB 3.16Å; D181-A210 VanDerWaalsContact OD1-CB 3.31Å; D181-A210 WeakPolarHBondContact OD1-CB 3.3Å; D181-A210 PolarHBondContact OD1-N 3.41Å
182	L	98.1	Very high	98.3	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-45.1	176.5	175.2	58.4	0	0	0	111.6	I171 T173 E178 A179 N180 M184 F185 M186 V367 F377	I171-L182 HydrophobicContact CB-CD2 4.09Å; I171-L182 HydrophobicContact CG2-CD2 3.66Å; T173-L182 HydrophobicContact CG2-CD2 3.98Å; E178-L182 VanDerWaalsContact O-CB 3.24Å; E178-L182 WeakPolarHBondContact O-CB 3.17Å; E178-L182 PolarHBondContact O-N 2.7Å; A179-L182 PolarHBondContact O-N 2.79Å; N180-L182 VanDerWaalsContact C-N 3.32Å; N180-L182 PolarHBondContact O-N 2.81Å; L182-M184 PolarHBondContact O-N 2.84Å; L182-F185 WeakPolarHBondContact O-CB 3.38Å; L182-F185 PolarHBondContact O-N 2.92Å; L182-F185 VanDerWaalsContact O-N 3.14Å; L182-M186 HydrophobicContact CD1-CG 3.89Å; L182-M186 HydrophobicContact CD1-SD 3.85Å; L182-M186 HydrophobicContact CD2-SD 4.36Å; L182-M186 HydrophobicContact CG-CG 4.32Å; L182-M186 HydrophobicContact CG-SD 3.82Å; L182-M186 WeakPolarHBondContact O-CG 3.44Å; L182-M186 PolarHBondContact O-N 3.06Å; L182-V367 HydrophobicContact CB-CG2 4.11Å; L182-V367 HydrophobicContact CD2-CB 4.46Å; L182-V367 HydrophobicContact CD2-CG2 3.86Å; L182-V367 HydrophobicContact CG-CG2 4Å; L182-F377 HydrophobicContact CD1-CD2 4.39Å; L182-F377 HydrophobicContact CD1-CE1 4.31Å; L182-F377 HydrophobicContact CD1-CE2 3.47Å; L182-F377 VanDerWaalsContact CD1-CE2 3.47Å; L182-F377 HydrophobicContact CD1-CZ 3.4Å; L182-F377 VanDerWaalsContact CD1-CZ 3.4Å
183	A	98.6	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-38.1	176.8	0	0	0	0	0	112.5	A179 N180 F185 A187 F291 I324 M351 T353 V367	A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.37Å; A179-A183 PolarHBondContact O-N 2.99Å; N180-A183 PolarHBondContact O-N 2.8Å; A183-F185 VanDerWaalsContact C-N 3.34Å; A183-F185 PolarHBondContact O-N 2.95Å; A183-A187 WeakPolarHBondContact O-CB 3.43Å; A183-A187 PolarHBondContact O-N 3.46Å; A183-F291 HydrophobicContact CB-CE1 4.49Å; A183-F291 HydrophobicContact CB-CZ 3.84Å; A183-I324 HydrophobicContact CB-CG2 4.45Å; A183-M351 HydrophobicContact CB-CE 3.97Å; A183-M351 WeakPolarHBondContact O-CE 3.25Å; A183-T353 HydrophobicContact CB-CG2 3.43Å; A183-T353 VanDerWaalsContact CB-CG2 3.43Å; A183-V367 HydrophobicContact CB-CG1 4.19Å; A183-V367 HydrophobicContact CB-CG2 4.25Å
184	M	98.3	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-44.2	170.6	-70.6	173.2	76.3	0	0	111.7	N180 D181 L182 R188 I196 M209 L213 F291	N180-M184 VanDerWaalsContact O-CG 3.27Å; N180-M184 WeakPolarHBondContact O-CG 3.36Å; N180-M184 PolarHBondContact O-N 3.36Å; D181-M184 PolarHBondContact O-N 3.09Å; L182-M184 PolarHBondContact O-N 2.84Å; M184-R188 WeakPolarHBondContact O-CG 3.36Å; M184-R188 PolarHBondContact O-N 3.2Å; M184-I196 HydrophobicContact CB-CD1 3.86Å; M184-I196 HydrophobicContact CE-CD1 4.12Å; M184-I196 HydrophobicContact CG-CD1 3.82Å; M184-M209 HydrophobicContact CE-CE 4.31Å; M184-M209 HydrophobicContact SD-CB 4.33Å; M184-L213 HydrophobicContact CE-CD1 4.31Å; M184-L213 HydrophobicContact CE-CD2 4.32Å; M184-L213 HydrophobicContact CE-CG 4.03Å; M184-L213 HydrophobicContact CG-CD1 3.65Å; M184-L213 HydrophobicContact CG-CG 4.37Å; M184-L213 HydrophobicContact SD-CD1 3.49Å; M184-L213 WeakPolarHBondContact SD-CD1 3.27Å; M184-L213 HydrophobicContact SD-CG 3.78Å; M184-F291 HydrophobicContact CG-CE2 3.69Å; M184-F291 HydrophobicContact CG-CZ 3.88Å
185	F	97.4	Very high	98.3	Very high	107 Å²	107	35 Å²	35	47%	0.469	19%	0.193	S	C	.	.	H	α-helix	trans	-65.8	-48.4	178.7	177.2	-108.2	0	0	0	112	D181 L182 A183 A187 R188 L189 F377	D181-F185 PolarHBondContact O-N 2.74Å; L182-F185 WeakPolarHBondContact O-CB 3.38Å; L182-F185 PolarHBondContact O-N 2.92Å; L182-F185 VanDerWaalsContact O-N 3.14Å; A183-F185 VanDerWaalsContact C-N 3.34Å; A183-F185 PolarHBondContact O-N 2.95Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 2.98Å; F185-R188 PolarHBondContact O-N 3.27Å; F185-L189 HydrophobicContact CE1-CD2 3.92Å; F185-L189 HydrophobicContact CZ-CD2 4.1Å; F185-L189 WeakPolarHBondContact O-CB 3.45Å; F185-L189 PolarHBondContact O-N 2.91Å; F185-F377 HydrophobicContact CD1-CD2 4.14Å; F185-F377 AromaticContact CD1-CE2 3.93Å; F185-F377 HydrophobicContact CD1-CE2 3.93Å; F185-F377 AromaticContact CE1-CD2 3.97Å; F185-F377 HydrophobicContact CE1-CD2 3.97Å; F185-F377 AromaticContact CE1-CE2 3.88Å; F185-F377 HydrophobicContact CE1-CE2 3.88Å
186	M	98.5	Very high	98.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-39.8	178.2	-70.1	177.4	69.1	0	0	112	I171 L182 L189 Y190 M351 V367 T369 I373 F377	I171-M186 HydrophobicContact CD1-CE 3.9Å; I171-M186 HydrophobicContact CD1-SD 4.27Å; L182-M186 HydrophobicContact CD1-CG 3.89Å; L182-M186 HydrophobicContact CD1-SD 3.85Å; L182-M186 HydrophobicContact CD2-SD 4.36Å; L182-M186 HydrophobicContact CG-CG 4.32Å; L182-M186 HydrophobicContact CG-SD 3.82Å; L182-M186 WeakPolarHBondContact O-CG 3.44Å; L182-M186 PolarHBondContact O-N 3.06Å; M186-L189 PolarHBondContact O-N 3.13Å; M186-Y190 VanDerWaalsContact O-CB 3.27Å; M186-Y190 WeakPolarHBondContact O-CB 3.23Å; M186-Y190 PolarHBondContact O-N 3.39Å; M186-M351 HydrophobicContact CB-CE 4.32Å; M186-M351 HydrophobicContact CB-SD 4.01Å; M186-M351 HydrophobicContact CE-SD 4.45Å; M186-V367 HydrophobicContact SD-CG1 4.37Å; M186-T369 HydrophobicContact CE-CG2 3.79Å; M186-I373 HydrophobicContact CE-CG2 4.3Å; M186-F377 HydrophobicContact CE-CB 3.98Å; M186-F377 HydrophobicContact CE-CD1 4.28Å; M186-F377 HydrophobicContact CE-CG 4.16Å; M186-F377 HydrophobicContact CG-CB 4.18Å; M186-F377 HydrophobicContact CG-CD2 3.71Å; M186-F377 HydrophobicContact CG-CE2 4.16Å; M186-F377 HydrophobicContact CG-CG 3.96Å; M186-F377 HydrophobicContact SD-CD1 4.33Å; M186-F377 HydrophobicContact SD-CD2 4.4Å; M186-F377 HydrophobicContact SD-CG 4.22Å
187	A	98.6	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-46.5	176	0	0	0	0	0	113	A183 F185 T191 A289 I322 I324 M351	A183-A187 WeakPolarHBondContact O-CB 3.43Å; A183-A187 PolarHBondContact O-N 3.46Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 2.98Å; A187-T191 WeakPolarHBondContact O-CB 3.44Å; A187-T191 WeakPolarHBondContact O-CG2 3.49Å; A187-T191 PolarHBondContact O-N 2.75Å; A187-T191 PolarHBondContact O-OG1 3.08Å; A187-A289 HydrophobicContact CB-CB 3.83Å; A187-I322 HydrophobicContact CB-CD1 3.78Å; A187-I322 HydrophobicContact CB-CG1 3.96Å; A187-I324 HydrophobicContact CB-CD1 4.14Å; A187-M351 HydrophobicContact CB-CE 4.01Å
188	R	98.1	Very high	98.3	Very high	33 Å²	33	31 Å²	31	13%	0.125	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-42	178	-70.1	172.4	167.2	173.4	-4.7	111.4	M184 F185 G192 N193 F194 I196 L227 G228 A288	M184-R188 WeakPolarHBondContact O-CG 3.36Å; M184-R188 PolarHBondContact O-N 3.2Å; F185-R188 PolarHBondContact O-N 3.27Å; R188-G192 WeakPolarHBondContact O-CA 3.41Å; R188-G192 PolarHBondContact O-N 3.06Å; R188-N193 WeakPolarHBondContact CA-O 3.35Å; R188-N193 WeakPolarHBondContact CG-O 3.34Å; R188-F194 VanDerWaalsContact CZ-O 3.29Å; R188-F194 PolarHBondContact NE-O 3.05Å; R188-F194 PolarHBondContact NH2-O 3.12Å; R188-I196 HydrophobicContact CG-CD1 4.48Å; R188-L227 PolarHBondContact NH2-O 2.76Å; R188-G228 PolarHBondContact NH2-O 2.72Å; R188-A288 HydrophobicContact CG-CB 3.84Å
189	L	97.9	Very high	98.3	Very high	67 Å²	67	27.9 Å²	27.9	35%	0.351	15%	0.149	S	C	.	.	H	α-helix	trans	-67.9	-37.4	179	-178.4	58.4	0	0	0	113.3	F185 M186 S376 F377	F185-L189 HydrophobicContact CE1-CD2 3.92Å; F185-L189 HydrophobicContact CZ-CD2 4.1Å; F185-L189 WeakPolarHBondContact O-CB 3.45Å; F185-L189 PolarHBondContact O-N 2.91Å; M186-L189 PolarHBondContact O-N 3.13Å; L189-S376 WeakPolarHBondContact CD2-O 3.1Å; L189-F377 HydrophobicContact CD2-CD2 4.35Å
190	Y	98.6	Very high	98.2	Very high	72 Å²	72	35 Å²	35	28%	0.282	18%	0.175	S	C	.	.	H	α-helix	trans	-74.2	-47.6	177.4	171.5	-104.3	0	0	0	112.4	M186 I322 E372 I373	M186-Y190 VanDerWaalsContact O-CB 3.27Å; M186-Y190 WeakPolarHBondContact O-CB 3.23Å; M186-Y190 PolarHBondContact O-N 3.39Å; Y190-I322 HydrophobicContact CD1-CD1 4.48Å; Y190-I322 HydrophobicContact CD1-CG2 3.9Å; Y190-I322 HydrophobicContact CE1-CG2 3.72Å; Y190-E372 HydrophobicContact CE2-CG 4.03Å; Y190-E372 PolarHBondContact OH-OE1 2.66Å; Y190-E372 VanDerWaalsContact OH-OE1 3.05Å; Y190-I373 HydrophobicContact CD1-CG1 3.87Å; Y190-I373 HydrophobicContact CD2-CB 4.26Å; Y190-I373 HydrophobicContact CD2-CG1 3.86Å; Y190-I373 HydrophobicContact CE1-CG1 3.93Å; Y190-I373 HydrophobicContact CE2-CG1 3.93Å; Y190-I373 HydrophobicContact CG-CB 4.34Å; Y190-I373 HydrophobicContact CG-CG1 3.84Å; Y190-I373 HydrophobicContact CG-CG2 4.32Å
191	T	98.6	Very high	98	Very high	26 Å²	26	35.1 Å²	35.1	16%	0.16	18%	0.178	C	C	.	.	H	α-helix	trans	-83	-21.7	-174.9	60.9	0	0	0	0	114.5	A187 N193 A288 I322	A187-T191 WeakPolarHBondContact O-CB 3.44Å; A187-T191 WeakPolarHBondContact O-CG2 3.49Å; A187-T191 PolarHBondContact O-N 2.75Å; A187-T191 PolarHBondContact O-OG1 3.08Å; T191-N193 PolarHBondContact O-N 3.31Å; T191-N193 PolarHBondContact OG1-N 3.31Å; T191-A288 WeakPolarHBondContact CG2-O 3.37Å; T191-A288 WeakPolarHBondContact OG1-CA 3.47Å; T191-I322 HydrophobicContact CG2-CG1 4.46Å; T191-I322 HydrophobicContact CG2-CG2 4.22Å
192	G	98.1	Very high	98	Very high	68 Å²	68	33.3 Å²	33.3	70%	0.701	17%	0.168	S	C	*	.	S	Bend	trans	69.3	6.2	-169.7	0	0	0	0	0	114.5	R188	R188-G192 WeakPolarHBondContact O-CA 3.41Å; R188-G192 PolarHBondContact O-N 3.06Å
193	N	98.4	Very high	98	Very high	25 Å²	25	35.7 Å²	35.7	13%	0.134	18%	0.176	C	C	.	.			trans	-101.5	167.3	177.7	-55.3	-51.6	0	0	0	110.3	R188 T191 R286 I287 A288	R188-N193 WeakPolarHBondContact CA-O 3.35Å; R188-N193 WeakPolarHBondContact CG-O 3.34Å; T191-N193 PolarHBondContact O-N 3.31Å; T191-N193 PolarHBondContact OG1-N 3.31Å; N193-R286 WeakPolarHBondContact OD1-CB 3.26Å; N193-I287 WeakPolarHBondContact CB-O 3.36Å; N193-I287 PolarHBondContact ND2-O 2.94Å; N193-A288 HydrophobicContact CB-CB 4.27Å; N193-A288 WeakPolarHBondContact O-CB 3.42Å
194	F	97.6	Very high	98	Very high	105 Å²	105	35.8 Å²	35.8	46%	0.461	18%	0.177	S	C	.	.			trans	-111.7	-45.9	-174.7	-173.2	-113.4	0	0	0	114.3	R188 L227 G228	R188-F194 VanDerWaalsContact CZ-O 3.29Å; R188-F194 PolarHBondContact NE-O 3.05Å; R188-F194 PolarHBondContact NH2-O 3.12Å; F194-L227 HydrophobicContact CE1-CB 4.31Å; F194-L227 HydrophobicContact CZ-CB 4.02Å; F194-L227 WeakPolarHBondContact CZ-O 3.29Å; F194-G228 VanDerWaalsContact CE1-CA 3.43Å
195	D	98.2	Very high	97.9	Very high	31 Å²	31	36 Å²	36	17%	0.166	18%	0.179	C	C	.	.			trans	-70	136.3	-171.6	-64.6	-98.1	0	0	0	113.5	G228 V283 P284 I287 A288	D195-G228 CarbonylContact C-O 3.54Å; D195-G228 WeakPolarHBondContact CA-O 3.26Å; D195-V283 HydrophobicContact CB-CB 4.43Å; D195-V283 HydrophobicContact CB-CG1 4.13Å; D195-P284 VanDerWaalsContact OD2-CD 3.23Å; D195-P284 WeakPolarHBondContact OD2-CD 3.35Å; D195-P284 VanDerWaalsContact OD2-CG 3.31Å; D195-P284 WeakPolarHBondContact OD2-CG 3.38Å; D195-I287 HydrophobicContact CB-CG2 4.34Å; D195-I287 WeakPolarHBondContact O-CB 3.42Å; D195-A288 WeakPolarHBondContact O-CB 3.1Å; D195-A288 PolarHBondContact O-N 3.32Å
196	I	98.7	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.5	177.8	-60.6	176.1	0	0	0	108.6	M184 R188 L213 G228 C229 T230 A288 A289 F291	M184-I196 HydrophobicContact CB-CD1 3.86Å; M184-I196 HydrophobicContact CE-CD1 4.12Å; M184-I196 HydrophobicContact CG-CD1 3.82Å; R188-I196 HydrophobicContact CG-CD1 4.48Å; I196-L213 HydrophobicContact CB-CD2 4.27Å; I196-L213 HydrophobicContact CG2-CD2 3.57Å; I196-G228 PolarHBondContact N-O 3.08Å; I196-C229 CarbonylContact O-C 3.53Å; I196-C229 WeakPolarHBondContact O-CA 3.28Å; I196-T230 PolarHBondContact O-N 2.97Å; I196-A288 HydrophobicContact CG1-CB 3.97Å; I196-A289 WeakPolarHBondContact CA-O 3.37Å; I196-A289 HydrophobicContact CG1-CB 4.29Å; I196-A289 HydrophobicContact CG2-CB 4.18Å; I196-F291 HydrophobicContact CG2-CD2 3.64Å; I196-F291 HydrophobicContact CG2-CE2 4.26Å
197	I	98.6	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142	177.5	-62.9	174.3	0	0	0	110.8	T230 T232 L279 V283 I287 A289 F290 F291	I197-T230 VanDerWaalsContact CA-O 3.26Å; I197-T230 WeakPolarHBondContact CA-O 3.48Å; I197-T232 HydrophobicContact CG2-CG2 4.05Å; I197-L279 HydrophobicContact CD1-CD2 3.46Å; I197-L279 VanDerWaalsContact CD1-CD2 3.46Å; I197-L279 HydrophobicContact CD1-CG 4.34Å; I197-V283 HydrophobicContact CD1-CG1 3.99Å; I197-V283 HydrophobicContact CD1-CG2 4.13Å; I197-V283 HydrophobicContact CG1-CG1 3.95Å; I197-I287 HydrophobicContact CD1-CD1 3.89Å; I197-I287 HydrophobicContact CG1-CD1 4.4Å; I197-A289 PolarHBondContact N-O 2.96Å; I197-F290 HydrophobicContact CB-CD2 3.88Å; I197-F290 HydrophobicContact CG2-CD2 3.65Å; I197-F290 HydrophobicContact CG2-CE2 3.86Å; I197-F290 CarbonylContact O-C 3.56Å; I197-F290 WeakPolarHBondContact O-CA 3.46Å; I197-F291 PolarHBondContact O-N 3.27Å
198	T	98.1	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	173.4	172.5	-172.6	0	0	0	0	110.4	S202 H204 L213 T230 N231 T232	T198-S202 PolarHBondContact OG1-OG 2.78Å; T198-H204 PolarHBondContact OG1-CD2 3.34Å; T198-H204 PolarHBondContact OG1-NE2 2.99Å; T198-L213 WeakPolarHBondContact CG2-O 3.19Å; T198-L213 PolarHBondContact OG1-O 3.01Å; T198-T230 PolarHBondContact N-O 3.47Å; T198-N231 CarbonylContact O-C 3.57Å; T198-N231 WeakPolarHBondContact O-CA 3.38Å; T198-T232 PolarHBondContact O-N 2.93Å
199	F	98.1	Very high	96.8	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	152.9	175.1	-63.8	-59.8	0	0	0	113.1	S202 S215 T232 C234 P235 F290 A292 Y304 Y308 L309	F199-S202 WeakPolarHBondContact O-CB 3.24Å; F199-S202 PolarHBondContact O-OG 3.3Å; F199-S215 WeakPolarHBondContact O-CB 3.44Å; F199-T232 CarbonylContact C-O 3.37Å; F199-T232 HydrophobicContact CD1-CG2 3.83Å; F199-T232 HydrophobicContact CE1-CG2 4.23Å; F199-C234 HydrophobicContact CB-CB 4.49Å; F199-P235 VanDerWaalsContact CE1-CD 3.47Å; F199-P235 HydrophobicContact CE1-CG 3.94Å; F199-P235 HydrophobicContact CZ-CG 4.29Å; F199-F290 HydrophobicContact CD1-CZ 4.5Å; F199-F290 HydrophobicContact CE1-CE2 4.44Å; F199-F290 AromaticContact CE1-CZ 3.76Å; F199-F290 HydrophobicContact CE1-CZ 3.76Å; F199-F290 HydrophobicContact CE2-CE1 4.5Å; F199-F290 HydrophobicContact CE2-CZ 4.12Å; F199-F290 HydrophobicContact CZ-CE1 4.17Å; F199-F290 AromaticContact CZ-CZ 3.56Å; F199-F290 HydrophobicContact CZ-CZ 3.56Å; F199-A292 HydrophobicContact CD2-CB 4.43Å; F199-A292 HydrophobicContact CE2-CB 3.69Å; F199-A292 HydrophobicContact CZ-CB 4.46Å; F199-Y304 HydrophobicContact CD2-CE1 4.35Å; F199-Y304 AromaticContact CD2-CZ 3.96Å; F199-Y304 WeakPolarHBondContact CD2-OH 3.09Å; F199-Y304 HydrophobicContact CE2-CE1 4.07Å; F199-Y304 AromaticContact CE2-CE2 3.87Å; F199-Y304 HydrophobicContact CE2-CE2 3.87Å; F199-Y304 AromaticContact CE2-CZ 3.51Å; F199-Y304 WeakPolarHBondContact CE2-OH 3.5Å; F199-Y304 HydrophobicContact CZ-CE1 4.42Å; F199-Y304 HydrophobicContact CZ-CE2 4.31Å; F199-Y308 HydrophobicContact CE1-CD1 4.41Å; F199-Y308 AromaticContact CE1-CE1 3.51Å; F199-Y308 HydrophobicContact CE1-CE1 3.51Å; F199-Y308 HydrophobicContact CZ-CD1 4.18Å; F199-Y308 AromaticContact CZ-CE1 3.61Å; F199-Y308 HydrophobicContact CZ-CE1 3.61Å; F199-L309 HydrophobicContact CE2-CD2 4.2Å; F199-L309 HydrophobicContact CZ-CD2 3.93Å
200	R	96.9	Very high	96.6	Very high	148 Å²	148	37.5 Å²	37.5	56%	0.558	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	146.7	158.2	-71.3	173.2	-169.6	-170.3	1.5	110.8	S202 S215 N231 T232 C234 Q296	R200-S202 PolarHBondContact O-N 2.95Å; R200-S215 WeakPolarHBondContact CA-OG 3.37Å; R200-N231 HydrophobicContact CG-CB 4.31Å; R200-T232 WeakPolarHBondContact CG-O 3.41Å; R200-T232 PolarHBondContact N-O 3.07Å; R200-C234 HydrophobicContact CB-CB 4.42Å; R200-C234 VanDerWaalsContact O-CB 3.28Å; R200-C234 WeakPolarHBondContact O-CB 3.18Å; R200-Q296 PolarHBondContact O-NE2 3.26Å
201	G	95.8	Very high	96.5	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-2.8	179.2	0	0	0	0	0	116.8	S215 G299	G201-S215 WeakPolarHBondContact CA-O 3.25Å; G201-S215 PolarHBondContact N-O 3.22Å; G201-G299 WeakPolarHBondContact O-CA 3.45Å
202	S	97.3	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.			trans	-63.5	160.9	177.8	61	0	0	0	0	113.4	T198 F199 R200 L213 S215 E293	T198-S202 PolarHBondContact OG1-OG 2.78Å; F199-S202 WeakPolarHBondContact O-CB 3.24Å; F199-S202 PolarHBondContact O-OG 3.3Å; R200-S202 PolarHBondContact O-N 2.95Å; S202-L213 PolarHBondContact OG-O 3.13Å; S202-S215 PolarHBondContact O-N 2.64Å; S202-S215 WeakPolarHBondContact OG-CB 3.22Å; S202-S215 PolarHBondContact OG-N 2.91Å; S202-E293 WeakPolarHBondContact CA-OE1 3.39Å
203	Y	97.9	Very high	96.2	Very high	60 Å²	60	30.5 Å²	30.5	24%	0.235	16%	0.161	C	C	.	.			trans	-139.8	116	165.8	-178.8	-85.1	0	0	0	110.9	T214 Y219 E293 V298	Y203-T214 HydrophobicContact CD2-CG2 3.61Å; Y203-T214 HydrophobicContact CE2-CG2 4.21Å; Y203-T214 HydrophobicContact CG-CG2 4.36Å; Y203-Y219 HydrophobicContact CD2-CD1 4.18Å; Y203-Y219 HydrophobicContact CD2-CD2 4.14Å; Y203-Y219 HydrophobicContact CD2-CE1 4.47Å; Y203-Y219 HydrophobicContact CD2-CE2 4.43Å; Y203-Y219 AromaticContact CD2-CG 3.99Å; Y203-Y219 HydrophobicContact CD2-CG 3.99Å; Y203-Y219 AromaticContact CE2-CD1 3.62Å; Y203-Y219 HydrophobicContact CE2-CD1 3.62Å; Y203-Y219 HydrophobicContact CE2-CD2 4.4Å; Y203-Y219 AromaticContact CE2-CE1 3.99Å; Y203-Y219 HydrophobicContact CE2-CE1 3.99Å; Y203-Y219 AromaticContact CE2-CG 3.84Å; Y203-Y219 HydrophobicContact CE2-CG 3.84Å; Y203-E293 PolarHBondContact N-OE1 2.78Å; Y203-V298 HydrophobicContact CD1-CG2 3.79Å; Y203-V298 HydrophobicContact CD2-CG1 4.5Å; Y203-V298 HydrophobicContact CD2-CG2 4.35Å; Y203-V298 HydrophobicContact CG-CB 4.08Å; Y203-V298 HydrophobicContact CG-CG1 4.4Å; Y203-V298 HydrophobicContact CG-CG2 3.66Å
204	H	98	Very high	96.2	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.014	16%	0.155	C	C	.	.			trans	-120.7	3.8	-176.7	-68.2	-65.9	0	0	0	112.7	N180 T198 L213 T214 D326	N180-H204 PolarHBondContact ND2-O 2.86Å; T198-H204 PolarHBondContact OG1-CD2 3.34Å; T198-H204 PolarHBondContact OG1-NE2 2.99Å; H204-L213 HydrophobicContact CB-CB 3.64Å; H204-L213 HydrophobicContact CB-CD1 4.2Å; H204-T214 PolarHBondContact N-OG1 3.46Å; H204-D326 IonicContact CE1-OD2 2.75Å; H204-D326 IonicContact CG-OD2 2.69Å; H204-D326 IonicContact ND1-OD2 3.73Å; H204-D326 PolarHBondContact ND1-OD2 3.39Å
205	G	95.9	Very high	96	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	14%	0.141	C	C	.	.			trans	137.9	179.4	176.4	0	0	0	0	0	113.8	T214	G205-T214 PolarHBondContact N-OG1 3.01Å; G205-T214 VanDerWaalsContact N-OG1 3.13Å; G205-T214 PolarHBondContact O-OG1 3.06Å
206	G	93.2	Very high	95.8	Very high	43 Å²	43	24.1 Å²	24.1	44%	0.443	13%	0.134	S	C	.	.	S	Bend	trans	-123.4	2.7	-176.9	0	0	0	0	0	115.1	S177 M211	S177-G206 PolarHBondContact OG-N 3.08Å; G206-M211 WeakPolarHBondContact O-CE 3.28Å
207	S	93.8	Very high	95.6	Very high	23 Å²	23	28 Å²	28	16%	0.161	17%	0.166	C	C	.	.	S	Bend	trans	-70.4	158	170.1	49.2	0	0	0	0	110.9	D181 M209 A210 M211	D181-S207 PolarHBondContact OD1-OG 2.99Å; D181-S207 WeakPolarHBondContact OD2-CB 3.38Å; D181-S207 PolarHBondContact OD2-OG 3.34Å; S207-M209 PolarHBondContact O-N 2.68Å; S207-A210 PolarHBondContact O-N 3.49Å; S207-A210 WeakPolarHBondContact OG-CB 3.41Å; S207-M211 WeakPolarHBondContact O-CB 3.38Å; S207-M211 PolarHBondContact O-N 2.8Å
208	P	90.9	Very high	95.2	Very high	102 Å²	102	32 Å²	32	66%	0.662	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.4	-173.6	-27.4	36.2	0	0	0	115.7	G226	P208-G226 PolarHBondContact O-N 3.38Å
209	M	91.5	Very high	95	Very high	72 Å²	72	36.5 Å²	36.5	36%	0.355	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-60.6	177.2	-77.2	-81.3	-73.8	0	0	110.8	D181 M184 S207 M211 G212	D181-M209 WeakPolarHBondContact OD1-CB 3.16Å; M184-M209 HydrophobicContact CE-CE 4.31Å; M184-M209 HydrophobicContact SD-CB 4.33Å; S207-M209 PolarHBondContact O-N 2.68Å; M209-M211 PolarHBondContact O-N 2.93Å; M209-M211 VanDerWaalsContact O-N 3.15Å; M209-G212 PolarHBondContact O-N 3.22Å
210	A	94.6	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-22.2	177.4	0	0	0	0	0	114.8	N180 D181 S207 G212 L213 T214	N180-A210 HydrophobicContact CB-CB 4.31Å; D181-A210 VanDerWaalsContact OD1-CB 3.31Å; D181-A210 WeakPolarHBondContact OD1-CB 3.3Å; D181-A210 PolarHBondContact OD1-N 3.41Å; S207-A210 PolarHBondContact O-N 3.49Å; S207-A210 WeakPolarHBondContact OG-CB 3.41Å; A210-G212 PolarHBondContact O-N 2.86Å; A210-L213 WeakPolarHBondContact O-CB 3.43Å; A210-L213 PolarHBondContact O-N 2.81Å; A210-T214 PolarHBondContact O-N 2.73Å
211	M	95.6	Very high	94.4	Very high	17 Å²	17	38.6 Å²	38.6	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-24.6	170.7	-173	-176.4	-57.4	0	0	112.7	G206 S207 M209 K220 Y221 N225	G206-M211 WeakPolarHBondContact O-CE 3.28Å; S207-M211 WeakPolarHBondContact O-CB 3.38Å; S207-M211 PolarHBondContact O-N 2.8Å; M209-M211 PolarHBondContact O-N 2.93Å; M209-M211 VanDerWaalsContact O-N 3.15Å; M211-K220 WeakPolarHBondContact O-CE 3.3Å; M211-K220 PolarHBondContact O-NZ 3.07Å; M211-K220 VanDerWaalsContact O-NZ 3.09Å; M211-Y221 HydrophobicContact CE-CD2 3.73Å; M211-Y221 HydrophobicContact CE-CE2 4.1Å; M211-Y221 HydrophobicContact SD-CD2 4Å; M211-N225 HydrophobicContact CG-CB 4.35Å; M211-N225 HydrophobicContact SD-CB 3.97Å
212	G	94.9	Very high	94.2	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-47.7	168.5	0	0	0	0	0	112.4	M209 A210 K220	M209-G212 PolarHBondContact O-N 3.22Å; A210-G212 PolarHBondContact O-N 2.86Å; G212-K220 PolarHBondContact O-NZ 3.18Å
213	L	96.8	Very high	93.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.1	-33.7	178.1	-58.7	-178.8	0	0	0	112.6	M184 I196 T198 S202 H204 A210 S215 C229 F291	M184-L213 HydrophobicContact CE-CD1 4.31Å; M184-L213 HydrophobicContact CE-CD2 4.32Å; M184-L213 HydrophobicContact CE-CG 4.03Å; M184-L213 HydrophobicContact CG-CD1 3.65Å; M184-L213 HydrophobicContact CG-CG 4.37Å; M184-L213 HydrophobicContact SD-CD1 3.49Å; M184-L213 WeakPolarHBondContact SD-CD1 3.27Å; M184-L213 HydrophobicContact SD-CG 3.78Å; I196-L213 HydrophobicContact CB-CD2 4.27Å; I196-L213 HydrophobicContact CG2-CD2 3.57Å; T198-L213 WeakPolarHBondContact CG2-O 3.19Å; T198-L213 PolarHBondContact OG1-O 3.01Å; S202-L213 PolarHBondContact OG-O 3.13Å; H204-L213 HydrophobicContact CB-CB 3.64Å; H204-L213 HydrophobicContact CB-CD1 4.2Å; A210-L213 WeakPolarHBondContact O-CB 3.43Å; A210-L213 PolarHBondContact O-N 2.81Å; L213-S215 PolarHBondContact O-N 3Å; L213-S215 VanDerWaalsContact O-N 3.08Å; L213-C229 HydrophobicContact CD2-CB 4.46Å; L213-F291 HydrophobicContact CD1-CB 4.34Å; L213-F291 HydrophobicContact CD1-CD1 3.79Å; L213-F291 HydrophobicContact CD1-CD2 3.64Å; L213-F291 HydrophobicContact CD1-CE1 3.85Å; L213-F291 HydrophobicContact CD1-CE2 3.67Å; L213-F291 HydrophobicContact CD1-CG 3.67Å; L213-F291 HydrophobicContact CD1-CZ 3.77Å; L213-F291 HydrophobicContact CD2-CB 4.48Å; L213-F291 HydrophobicContact CD2-CD2 4.18Å; L213-F291 HydrophobicContact CD2-CG 4.44Å
214	T	97.2	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.324	C	S	.	.			trans	-65.5	106.9	176.2	-70.8	0	0	0	0	111.2	Y203 H204 G205 A210 N216 K220	Y203-T214 HydrophobicContact CD2-CG2 3.61Å; Y203-T214 HydrophobicContact CE2-CG2 4.21Å; Y203-T214 HydrophobicContact CG-CG2 4.36Å; H204-T214 PolarHBondContact N-OG1 3.46Å; G205-T214 PolarHBondContact N-OG1 3.01Å; G205-T214 VanDerWaalsContact N-OG1 3.13Å; G205-T214 PolarHBondContact O-OG1 3.06Å; A210-T214 PolarHBondContact O-N 2.73Å; T214-N216 PolarHBondContact O-N 3.33Å; T214-K220 WeakPolarHBondContact O-CE 3.45Å; T214-K220 PolarHBondContact O-NZ 2.99Å
215	S	95	Very high	92.9	Very high	23 Å²	23	53 Å²	53	16%	0.161	33%	0.333	C	S	.	.			trans	-99	36	-179	-168.5	0	0	0	0	114.7	F199 R200 G201 S202 L213 N231	F199-S215 WeakPolarHBondContact O-CB 3.44Å; R200-S215 WeakPolarHBondContact CA-OG 3.37Å; G201-S215 WeakPolarHBondContact CA-O 3.25Å; G201-S215 PolarHBondContact N-O 3.22Å; S202-S215 PolarHBondContact O-N 2.64Å; S202-S215 WeakPolarHBondContact OG-CB 3.22Å; S202-S215 PolarHBondContact OG-N 2.91Å; L213-S215 PolarHBondContact O-N 3Å; L213-S215 VanDerWaalsContact O-N 3.08Å; S215-N231 WeakPolarHBondContact CB-ND2 3.34Å; S215-N231 PolarHBondContact OG-ND2 2.78Å
216	N	93.8	Very high	92.2	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	34%	0.336	C	S	.	.			trans	-115.3	119.9	173.2	-175.5	-35.9	0	0	0	110.3	T214 A218 Y219 G480	T214-N216 PolarHBondContact O-N 3.33Å; N216-A218 VanDerWaalsContact C-N 3.25Å; N216-A218 PolarHBondContact O-N 3.13Å; N216-A218 PolarHBondContact OD1-N 3.28Å; N216-A218 VanDerWaalsContact OD1-N 3.15Å; N216-Y219 HydrophobicContact CB-CD2 3.87Å; N216-Y219 HydrophobicContact CB-CE2 4.45Å; N216-Y219 PolarHBondContact O-N 3.11Å; N216-G480 PolarHBondContact ND2-O 3.3Å
217	A	92.9	Very high	92	Very high	83 Å²	83	57.5 Å²	57.5	69%	0.686	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-60.1	-30.5	-172.1	0	0	0	0	0	113.9	Y219 K220	A217-Y219 PolarHBondContact O-N 3.48Å; A217-Y219 VanDerWaalsContact O-N 3.11Å; A217-K220 PolarHBondContact O-N 3.18Å; A217-K220 VanDerWaalsContact O-N 3.16Å
218	A	91.8	Very high	92.1	Very high	84 Å²	84	57.2 Å²	57.2	69%	0.694	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-64.5	-15	177.6	0	0	0	0	0	113.7	N216	N216-A218 VanDerWaalsContact C-N 3.25Å; N216-A218 PolarHBondContact O-N 3.13Å; N216-A218 PolarHBondContact OD1-N 3.28Å; N216-A218 VanDerWaalsContact OD1-N 3.15Å
219	Y	92.7	Very high	92.4	Very high	93 Å²	93	53.5 Å²	53.5	37%	0.365	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-112.2	7.6	179.9	-59.3	-86.6	0	0	0	113.2	Y203 N216 A217 V298	Y203-Y219 HydrophobicContact CD2-CD1 4.18Å; Y203-Y219 HydrophobicContact CD2-CD2 4.14Å; Y203-Y219 HydrophobicContact CD2-CE1 4.47Å; Y203-Y219 HydrophobicContact CD2-CE2 4.43Å; Y203-Y219 AromaticContact CD2-CG 3.99Å; Y203-Y219 HydrophobicContact CD2-CG 3.99Å; Y203-Y219 AromaticContact CE2-CD1 3.62Å; Y203-Y219 HydrophobicContact CE2-CD1 3.62Å; Y203-Y219 HydrophobicContact CE2-CD2 4.4Å; Y203-Y219 AromaticContact CE2-CE1 3.99Å; Y203-Y219 HydrophobicContact CE2-CE1 3.99Å; Y203-Y219 AromaticContact CE2-CG 3.84Å; Y203-Y219 HydrophobicContact CE2-CG 3.84Å; N216-Y219 HydrophobicContact CB-CD2 3.87Å; N216-Y219 HydrophobicContact CB-CE2 4.45Å; N216-Y219 PolarHBondContact O-N 3.11Å; A217-Y219 PolarHBondContact O-N 3.48Å; A217-Y219 VanDerWaalsContact O-N 3.11Å; Y219-V298 HydrophobicContact CE2-CG1 3.77Å
220	K	91.8	Very high	92.6	Very high	74 Å²	74	51.4 Å²	51.4	32%	0.322	32%	0.315	S	S	.	.			trans	-101.5	151	175.2	-67.7	-145.3	171.7	-144.2	0	111.8	M211 G212 T214 A217	M211-K220 WeakPolarHBondContact O-CE 3.3Å; M211-K220 PolarHBondContact O-NZ 3.07Å; M211-K220 VanDerWaalsContact O-NZ 3.09Å; G212-K220 PolarHBondContact O-NZ 3.18Å; T214-K220 WeakPolarHBondContact O-CE 3.45Å; T214-K220 PolarHBondContact O-NZ 2.99Å; A217-K220 PolarHBondContact O-N 3.18Å; A217-K220 VanDerWaalsContact O-N 3.16Å
221	Y	90.6	Very high	92.7	Very high	119 Å²	119	53.4 Å²	53.4	47%	0.467	33%	0.326	S	S	.	.			trans	-113.5	150.4	172.8	-66.1	-93	0	0	0	109.6	M211 V223	M211-Y221 HydrophobicContact CE-CD2 3.73Å; M211-Y221 HydrophobicContact CE-CE2 4.1Å; M211-Y221 HydrophobicContact SD-CD2 4Å; Y221-V223 PolarHBondContact O-N 2.59Å
222	P	91.9	Very high	92.8	Very high	134 Å²	134	52.7 Å²	52.7	87%	0.87	32%	0.323	S	S	*	.	S	Bend	trans	-78.4	54.8	179.7	34.8	-37.3	0	0	0	111.7
223	V	90.9	Very high	92.9	Very high	95 Å²	95	54.6 Å²	54.6	58%	0.576	33%	0.331	S	S	*	.	S	Bend	trans	-136.3	158.5	179.5	-60.2	0	0	0	0	109.3	Y221 N225	Y221-V223 PolarHBondContact O-N 2.59Å; V223-N225 PolarHBondContact O-N 3.4Å; V223-N225 VanDerWaalsContact O-N 3.17Å; V223-N225 PolarHBondContact O-ND2 2.73Å
224	A	89.1	Confident	92.9	Very high	104 Å²	104	55.5 Å²	55.5	86%	0.86	34%	0.338	S	S	*	.			trans	-59.5	120.5	173.6	0	0	0	0	0	110.4
225	N	87	Confident	92.9	Very high	39 Å²	39	55.5 Å²	55.5	21%	0.209	34%	0.338	C	S	.	.			trans	-144.4	156	177.6	63.4	93.6	0	0	0	109.2	M211 V223 L227	M211-N225 HydrophobicContact CG-CB 4.35Å; M211-N225 HydrophobicContact SD-CB 3.97Å; V223-N225 PolarHBondContact O-N 3.4Å; V223-N225 VanDerWaalsContact O-N 3.17Å; V223-N225 PolarHBondContact O-ND2 2.73Å; N225-L227 PolarHBondContact O-N 3.24Å
226	G	80.4	Confident	93	Very high	10 Å²	10	55.3 Å²	55.3	10%	0.103	34%	0.335	C	S	.	.			trans	65.4	36.5	163	0	0	0	0	0	117.6	P208 G228 C229	P208-G226 PolarHBondContact O-N 3.38Å; G226-G228 PolarHBondContact O-N 3.11Å; G226-C229 VanDerWaalsContact O-CB 3.31Å; G226-C229 WeakPolarHBondContact O-CB 3.46Å; G226-C229 PolarHBondContact O-N 3.27Å; G226-C229 PolarHBondContact O-SG 3.17Å
227	L	89.8	Confident	93.2	Very high	130 Å²	130	55.2 Å²	55.2	68%	0.681	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	134.2	179.6	-65.4	175.5	0	0	0	111.8	R188 F194 N225	R188-L227 PolarHBondContact NH2-O 2.76Å; F194-L227 HydrophobicContact CE1-CB 4.31Å; F194-L227 HydrophobicContact CZ-CB 4.02Å; F194-L227 WeakPolarHBondContact CZ-O 3.29Å; N225-L227 PolarHBondContact O-N 3.24Å
228	G	95	Very high	93.4	Very high	17 Å²	17	51.2 Å²	51.2	18%	0.175	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	34.6	-176.2	0	0	0	0	0	113.9	R188 F194 D195 I196 G226	R188-G228 PolarHBondContact NH2-O 2.72Å; F194-G228 VanDerWaalsContact CE1-CA 3.43Å; D195-G228 CarbonylContact C-O 3.54Å; D195-G228 WeakPolarHBondContact CA-O 3.26Å; I196-G228 PolarHBondContact N-O 3.08Å; G226-G228 PolarHBondContact O-N 3.11Å
229	C	97	Very high	93.5	Very high	24 Å²	24	49.9 Å²	49.9	16%	0.162	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.7	169.6	-59.8	0	0	0	0	109.9	I196 L213 G226	I196-C229 CarbonylContact O-C 3.53Å; I196-C229 WeakPolarHBondContact O-CA 3.28Å; L213-C229 HydrophobicContact CD2-CB 4.46Å; G226-C229 VanDerWaalsContact O-CB 3.31Å; G226-C229 WeakPolarHBondContact O-CB 3.46Å; G226-C229 PolarHBondContact O-N 3.27Å; G226-C229 PolarHBondContact O-SG 3.17Å
230	T	96.8	Very high	93.6	Very high	28 Å²	28	46 Å²	46	17%	0.172	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.2	-178.6	-69.4	0	0	0	0	111	I196 I197 T198 T278 S282 V283	I196-T230 PolarHBondContact O-N 2.97Å; I197-T230 VanDerWaalsContact CA-O 3.26Å; I197-T230 WeakPolarHBondContact CA-O 3.48Å; T198-T230 PolarHBondContact N-O 3.47Å; T230-T278 HydrophobicContact CG2-CG2 3.99Å; T230-S282 PolarHBondContact OG1-O 2.8Å; T230-V283 HydrophobicContact CG2-CG1 3.98Å
231	N	95.6	Very high	93.8	Very high	43 Å²	43	45.8 Å²	45.8	23%	0.23	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.3	-166.6	-57.6	19.9	0	0	0	111.2	T198 R200 S215	T198-N231 CarbonylContact O-C 3.57Å; T198-N231 WeakPolarHBondContact O-CA 3.38Å; R200-N231 HydrophobicContact CG-CB 4.31Å; S215-N231 WeakPolarHBondContact CB-ND2 3.34Å; S215-N231 PolarHBondContact OG-ND2 2.78Å
232	T	97.4	Very high	94.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	167.6	172.5	-164.8	0	0	0	0	111.8	I197 T198 F199 R200 C234 L275 T278 F290	I197-T232 HydrophobicContact CG2-CG2 4.05Å; T198-T232 PolarHBondContact O-N 2.93Å; F199-T232 CarbonylContact C-O 3.37Å; F199-T232 HydrophobicContact CD1-CG2 3.83Å; F199-T232 HydrophobicContact CE1-CG2 4.23Å; R200-T232 WeakPolarHBondContact CG-O 3.41Å; R200-T232 PolarHBondContact N-O 3.07Å; T232-C234 PolarHBondContact O-N 2.81Å; T232-L275 HydrophobicContact CG2-CD1 4.22Å; T232-T278 PolarHBondContact OG1-OG1 3.22Å; T232-F290 HydrophobicContact CG2-CE2 4.26Å
233	M	97.3	Very high	94.3	Very high	41 Å²	41	37.7 Å²	37.7	20%	0.202	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-60.9	135.5	177.7	-167.7	174.7	-65.7	0	0	111.1	P235 P241 W242 Y271 Q274	M233-P235 WeakPolarHBondContact O-CD 3.22Å; M233-P241 HydrophobicContact SD-CG 3.85Å; M233-W242 HydrophobicContact CE-CH2 4.48Å; M233-W242 HydrophobicContact SD-CH2 4.3Å; M233-W242 HydrophobicContact SD-CZ3 3.78Å; M233-Y271 HydrophobicContact CG-CD1 4.23Å; M233-Y271 HydrophobicContact CG-CE1 4.11Å; M233-Y271 HydrophobicContact SD-CD1 3.85Å; M233-Y271 HydrophobicContact SD-CE1 3.6Å; M233-Y271 VanDerWaalsContact SD-CE1 3.6Å; M233-Q274 HydrophobicContact CB-CB 4.43Å; M233-Q274 HydrophobicContact CE-CG 3.94Å; M233-Q274 HydrophobicContact SD-CG 4.21Å
234	C	97.6	Very high	94.6	Very high	19 Å²	19	33.2 Å²	33.2	13%	0.128	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-71	124.1	168.2	-169.3	0	0	0	0	108.9	F199 R200 T232 D236 Q296	F199-C234 HydrophobicContact CB-CB 4.49Å; R200-C234 HydrophobicContact CB-CB 4.42Å; R200-C234 VanDerWaalsContact O-CB 3.28Å; R200-C234 WeakPolarHBondContact O-CB 3.18Å; T232-C234 PolarHBondContact O-N 2.81Å; C234-D236 VanDerWaalsContact C-N 3.26Å; C234-D236 PolarHBondContact O-N 2.95Å; C234-Q296 VanDerWaalsContact SG-CD 3.54Å; C234-Q296 PolarHBondContact SG-NE2 2.99Å; C234-Q296 PolarHBondContact SG-OE1 2.91Å; C234-Q296 VanDerWaalsContact SG-OE1 3.4Å
235	P	97.4	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.			trans	-82.4	77.4	-179.8	35.3	-34.3	0	0	0	109.2	F199 M233 Y271 Y304 P305 Y308	F199-P235 VanDerWaalsContact CE1-CD 3.47Å; F199-P235 HydrophobicContact CE1-CG 3.94Å; F199-P235 HydrophobicContact CZ-CG 4.29Å; M233-P235 WeakPolarHBondContact O-CD 3.22Å; P235-Y271 HydrophobicContact CB-CD1 3.83Å; P235-Y271 HydrophobicContact CB-CD2 3.66Å; P235-Y271 HydrophobicContact CB-CE1 4.33Å; P235-Y271 HydrophobicContact CB-CE2 4.16Å; P235-Y271 HydrophobicContact CB-CG 3.49Å; P235-Y271 VanDerWaalsContact CB-CG 3.49Å; P235-Y304 HydrophobicContact CG-CD1 3.54Å; P235-Y304 HydrophobicContact CG-CE1 4.23Å; P235-Y304 HydrophobicContact CG-CG 3.93Å; P235-Y304 WeakPolarHBondContact O-CA 3.38Å; P235-P305 HydrophobicContact CB-CG 4.2Å; P235-P305 VanDerWaalsContact O-CD 3.31Å; P235-P305 WeakPolarHBondContact O-CD 3.33Å; P235-Y308 HydrophobicContact CB-CD1 4.44Å; P235-Y308 HydrophobicContact CB-CD2 3.99Å; P235-Y308 HydrophobicContact CB-CE2 4.01Å; P235-Y308 HydrophobicContact CB-CG 4.2Å; P235-Y308 HydrophobicContact CG-CD1 3.71Å; P235-Y308 HydrophobicContact CG-CD2 4.14Å; P235-Y308 HydrophobicContact CG-CE1 3.74Å; P235-Y308 HydrophobicContact CG-CE2 4.13Å; P235-Y308 HydrophobicContact CG-CG 3.93Å
236	D	97.1	Very high	95.2	Very high	19 Å²	19	36.3 Å²	36.3	10%	0.102	19%	0.19	C	C	.	.			trans	-94.7	113.5	-178.7	-175.7	-32.2	0	0	0	110.5	C234 F238 R239 G240 Y271 V302	C234-D236 VanDerWaalsContact C-N 3.26Å; C234-D236 PolarHBondContact O-N 2.95Å; D236-F238 VanDerWaalsContact C-N 3.29Å; D236-F238 PolarHBondContact O-N 3.39Å; D236-F238 WeakPolarHBondContact OD1-CA 3.39Å; D236-F238 PolarHBondContact OD1-N 2.85Å; D236-R239 PolarHBondContact OD1-N 2.84Å; D236-G240 WeakPolarHBondContact O-CA 3.33Å; D236-G240 PolarHBondContact O-N 2.78Å; D236-Y271 PolarHBondContact O-OH 3.35Å; D236-V302 HydrophobicContact CB-CG1 3.81Å
237	V	96.8	Very high	95.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.3	-177.8	-58.7	0	0	0	0	114.5	G243 C247 R248 T254 R256 P305	V237-G243 CarbonylContact O-C 3.55Å; V237-G243 WeakPolarHBondContact O-CA 3.4Å; V237-C247 HydrophobicContact CB-CB 4.12Å; V237-C247 HydrophobicContact CG1-CB 3.64Å; V237-R248 HydrophobicContact CG2-CB 4.04Å; V237-R248 HydrophobicContact CG2-CG 4.13Å; V237-T254 HydrophobicContact CG2-CG2 4.45Å; V237-R256 PolarHBondContact O-NH1 3.33Å; V237-P305 HydrophobicContact CG1-CB 4.36Å; V237-P305 HydrophobicContact CG1-CG 3.89Å
238	F	96.8	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-58.2	176.6	172.9	-113.4	0	0	0	111.6	D236 T254 R256 G434 D435 E446 V448 R454	D236-F238 VanDerWaalsContact C-N 3.29Å; D236-F238 PolarHBondContact O-N 3.39Å; D236-F238 WeakPolarHBondContact OD1-CA 3.39Å; D236-F238 PolarHBondContact OD1-N 2.85Å; F238-T254 WeakPolarHBondContact CD2-OG1 3.13Å; F238-R256 VanDerWaalsContact O-CD 3.22Å; F238-R256 WeakPolarHBondContact O-CD 3.29Å; F238-R256 PolarHBondContact O-NH1 2.87Å; F238-G434 WeakPolarHBondContact CE2-O 3.42Å; F238-D435 HydrophobicContact CB-CB 4.16Å; F238-D435 HydrophobicContact CD1-CB 3.68Å; F238-D435 HydrophobicContact CD2-CB 3.77Å; F238-D435 HydrophobicContact CE1-CB 3.95Å; F238-D435 HydrophobicContact CE2-CB 4.02Å; F238-D435 HydrophobicContact CG-CB 3.56Å; F238-D435 HydrophobicContact CZ-CB 4.11Å; F238-E446 HydrophobicContact CD1-CG 4.47Å; F238-E446 VanDerWaalsContact CD1-OE2 3.29Å; F238-E446 WeakPolarHBondContact CD1-OE2 3.47Å; F238-E446 HydrophobicContact CE1-CB 4.47Å; F238-E446 HydrophobicContact CE1-CG 3.99Å; F238-V448 HydrophobicContact CE1-CG1 4.25Å; F238-V448 HydrophobicContact CZ-CG1 4.14Å; F238-R454 HydrophobicContact CE1-CB 4.46Å; F238-R454 HydrophobicContact CE2-CG 3.91Å; F238-R454 HydrophobicContact CZ-CB 4.02Å; F238-R454 HydrophobicContact CZ-CG 3.77Å; F238-R454 PolarHBondContact O-NH1 2.92Å
239	R	94.6	Very high	96	Very high	55 Å²	55	33.3 Å²	33.3	21%	0.208	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-32	-173.9	-179.5	165.2	-67.6	-68.4	-5.4	113.3	D236 E446 R454	D236-R239 PolarHBondContact OD1-N 2.84Å; R239-E446 IonicContact CZ-OE1 3.95Å; R239-E446 IonicContact NE-OE1 2.68Å; R239-E446 PolarHBondContact NE-OE1 3.34Å; R239-E446 IonicContact NH2-OE1 2.8Å; R239-E446 PolarHBondContact NH2-OE1 2.91Å; R239-R454 PolarHBondContact NH1-O 3.44Å; R239-R454 PolarHBondContact NH2-O 3.15Å; R239-R454 PolarHBondContact O-NH1 2.95Å
240	G	95.5	Very high	95.6	Very high	11 Å²	11	32.8 Å²	32.8	11%	0.113	17%	0.165	C	C	.	.	S	Bend	trans	-66.5	167.2	-178.4	0	0	0	0	0	113.3	D236 W242 R256 Y271	D236-G240 WeakPolarHBondContact O-CA 3.33Å; D236-G240 PolarHBondContact O-N 2.78Å; G240-W242 VanDerWaalsContact C-N 3.28Å; G240-W242 PolarHBondContact O-N 3.24Å; G240-R256 PolarHBondContact O-NH1 3.06Å; G240-Y271 VanDerWaalsContact C-OH 3.31Å; G240-Y271 VanDerWaalsContact CA-OH 3.3Å; G240-Y271 WeakPolarHBondContact CA-OH 3.07Å
241	P	95.9	Very high	95.4	Very high	70 Å²	70	35 Å²	35	46%	0.455	18%	0.18	S	C	.	.	S	Bend	trans	-56.9	-39.8	-176	21.2	-32.6	0	0	0	112.6	M233 R256 Y271	M233-P241 HydrophobicContact SD-CG 3.85Å; P241-R256 PolarHBondContact O-NH2 3.21Å; P241-Y271 WeakPolarHBondContact CD-OH 3.48Å; P241-Y271 HydrophobicContact CG-CE1 4.22Å
242	W	96.9	Very high	95.5	Very high	76 Å²	76	33.3 Å²	33.3	29%	0.288	17%	0.171	S	C	.	.	S	Bend	trans	-114.1	143.5	-177.3	-45.1	-69.4	0	0	0	111.9	M233 G240 A267 Q270 Y271 Q274	M233-W242 HydrophobicContact CE-CH2 4.48Å; M233-W242 HydrophobicContact SD-CH2 4.3Å; M233-W242 HydrophobicContact SD-CZ3 3.78Å; G240-W242 VanDerWaalsContact C-N 3.28Å; G240-W242 PolarHBondContact O-N 3.24Å; W242-A267 HydrophobicContact CB-CB 3.85Å; W242-Q270 HydrophobicContact CB-CB 4.43Å; W242-Q270 HydrophobicContact CD2-CB 3.31Å; W242-Q270 HydrophobicContact CD2-CG 4Å; W242-Q270 HydrophobicContact CE3-CB 3.44Å; W242-Q270 VanDerWaalsContact CE3-CB 3.44Å; W242-Q270 HydrophobicContact CG-CB 3.73Å; W242-Q270 HydrophobicContact CG-CG 4Å; W242-Q270 HydrophobicContact CH2-CB 4.28Å; W242-Q270 HydrophobicContact CZ2-CB 4.14Å; W242-Q270 HydrophobicContact CZ3-CB 3.94Å; W242-Y271 HydrophobicContact CB-CE2 4.02Å; W242-Y271 AromaticContact CE3-CD1 3.58Å; W242-Y271 HydrophobicContact CE3-CD1 3.58Å; W242-Y271 HydrophobicContact CE3-CD2 4.13Å; W242-Y271 AromaticContact CE3-CE1 3.47Å; W242-Y271 HydrophobicContact CE3-CE1 3.47Å; W242-Y271 VanDerWaalsContact CE3-CE1 3.47Å; W242-Y271 HydrophobicContact CE3-CE2 4.06Å; W242-Y271 AromaticContact CE3-CG 3.9Å; W242-Y271 HydrophobicContact CE3-CG 3.9Å; W242-Y271 AromaticContact CE3-CZ 3.71Å; W242-Y271 AromaticContact CZ3-CD1 3.67Å; W242-Y271 HydrophobicContact CZ3-CD1 3.67Å; W242-Y271 AromaticContact CZ3-CE1 3.77Å; W242-Y271 HydrophobicContact CZ3-CE1 3.77Å; W242-Y271 HydrophobicContact CZ3-CG 4.26Å; W242-Y271 PolarHBondContact N-OH 3.49Å; W242-Y271 VanDerWaalsContact O-CE2 3.25Å; W242-Y271 WeakPolarHBondContact O-CE2 3.42Å; W242-Y271 PolarHBondContact O-OH 3.12Å; W242-Q274 HydrophobicContact CH2-CG 3.56Å; W242-Q274 HydrophobicContact CZ3-CG 3.63Å
243	G	96.3	Very high	95.4	Very high	8 Å²	8	35.7 Å²	35.7	8%	0.082	18%	0.182	C	C	.	.			trans	149.3	167.2	179.7	0	0	0	0	0	112.9	V237 R256	V237-G243 CarbonylContact O-C 3.55Å; V237-G243 WeakPolarHBondContact O-CA 3.4Å; G243-R256 PolarHBondContact O-NE 3.27Å
244	G	95.9	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.			trans	170.5	-177.8	179.8	0	0	0	0	0	112.5	H246 C247 T254 R256	G244-H246 PolarHBondContact O-N 3.37Å; G244-C247 PolarHBondContact N-SG 2.8Å; G244-C247 VanDerWaalsContact O-CB 3.28Å; G244-C247 WeakPolarHBondContact O-CB 3.42Å; G244-C247 PolarHBondContact O-N 3Å; G244-C247 PolarHBondContact O-SG 3.35Å; G244-T254 WeakPolarHBondContact O-CG2 3.21Å; G244-R256 CarbonylContact C-O 3.52Å; G244-R256 WeakPolarHBondContact CA-O 3.31Å
245	R	94.7	Very high	95.1	Very high	101 Å²	101	35 Å²	35	38%	0.381	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-1.1	-166.3	67.3	-178.1	62.1	161	6.8	117.9	Q253 T254 T255 R256 D257	R245-Q253 HydrophobicContact CB-CB 4.27Å; R245-Q253 WeakPolarHBondContact O-CB 3.06Å; R245-Q253 VanDerWaalsContact O-CG 3.22Å; R245-Q253 WeakPolarHBondContact O-CG 3.42Å; R245-Q253 PolarHBondContact O-OE1 2.72Å; R245-Q253 VanDerWaalsContact O-OE1 3.12Å; R245-T254 WeakPolarHBondContact CA-O 3.42Å; R245-T254 WeakPolarHBondContact CB-O 3.4Å; R245-T255 PolarHBondContact NH2-O 3.26Å; R245-R256 PolarHBondContact N-O 2.94Å; R245-D257 IonicContact CZ-OD1 2.86Å; R245-D257 IonicContact NE-OD1 2.74Å; R245-D257 IonicContact NH1-OD1 3.1Å; R245-D257 PolarHBondContact NH1-OD1 3.35Å; R245-D257 IonicContact NH2-OD1 2.75Å; R245-D257 PolarHBondContact NH2-OD1 2.78Å; R245-D257 IonicContact NH2-OD2 2.95Å
246	H	94.2	Very high	95	Very high	108 Å²	108	37.3 Å²	37.3	50%	0.5	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-4.2	174.3	-58.4	-46.2	0	0	0	113.3	G244 C260 K306	G244-H246 PolarHBondContact O-N 3.37Å; H246-C260 HydrophobicContact CB-CB 4.23Å; H246-K306 PolarHBondContact O-NZ 2.87Å
247	C	96.1	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-80.4	-30.5	-167.5	-64.4	0	0	0	0	114.5	V237 G244 C265 A267 P305 K306	V237-C247 HydrophobicContact CB-CB 4.12Å; V237-C247 HydrophobicContact CG1-CB 3.64Å; G244-C247 PolarHBondContact N-SG 2.8Å; G244-C247 VanDerWaalsContact O-CB 3.28Å; G244-C247 WeakPolarHBondContact O-CB 3.42Å; G244-C247 PolarHBondContact O-N 3Å; G244-C247 PolarHBondContact O-SG 3.35Å; C247-C265 VanDerWaalsContact SG-SG 3.67Å; C247-A267 HydrophobicContact CB-CB 4.47Å; C247-P305 CarbonylContact O-C 3.47Å; C247-P305 VanDerWaalsContact O-CA 3.28Å; C247-P305 WeakPolarHBondContact O-CA 3.36Å; C247-K306 WeakPolarHBondContact O-CG 3.24Å; C247-K306 PolarHBondContact O-N 3.02Å
248	R	94.6	Very high	94.7	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.226	C	C	.	.	S	Bend	trans	-106.2	154.1	-178.2	65.2	176.1	-178.9	-136.6	4.3	112.8	V237 V252 Q253 Q303 K306 D435 V436	V237-R248 HydrophobicContact CG2-CB 4.04Å; V237-R248 HydrophobicContact CG2-CG 4.13Å; R248-V252 VanDerWaalsContact CZ-O 3.28Å; R248-V252 PolarHBondContact NE-O 3.43Å; R248-V252 PolarHBondContact NH2-O 3.44Å; R248-Q253 VanDerWaalsContact NH2-C 3.34Å; R248-Q253 PolarHBondContact O-NE2 3.43Å; R248-Q253 PolarHBondContact O-OE1 3.47Å; R248-Q303 HydrophobicContact CB-CB 4.39Å; R248-K306 VanDerWaalsContact O-CE 3.23Å; R248-K306 WeakPolarHBondContact O-CE 3.32Å; R248-D435 IonicContact CZ-OD1 3.68Å; R248-D435 IonicContact CZ-OD2 2.72Å; R248-D435 IonicContact NH1-OD1 2.88Å; R248-D435 PolarHBondContact NH1-OD1 3Å; R248-D435 VanDerWaalsContact NH1-OD1 3.15Å; R248-D435 IonicContact NH1-OD2 2.76Å; R248-D435 PolarHBondContact NH1-OD2 3.15Å; R248-D435 IonicContact NH2-OD1 2.83Å; R248-D435 PolarHBondContact NH2-OD1 3Å; R248-D435 IonicContact NH2-OD2 2.96Å; R248-V436 PolarHBondContact NH2-O 3.02Å
249	D	90.8	Very high	94.4	Very high	93 Å²	93	49.3 Å²	49.3	50%	0.497	26%	0.264	S	S	.	.			trans	-93.6	96.3	169.1	176.7	45.9	0	0	0	109.7	Q303 K306 K439	D249-Q303 PolarHBondContact O-OE1 2.97Å; D249-Q303 VanDerWaalsContact O-OE1 3.06Å; D249-K306 HydrophobicContact CB-CG 4.31Å; D249-K439 WeakPolarHBondContact O-CE 2.93Å; D249-K439 WeakPolarHBondContact OD2-CE 3.4Å; D249-K439 IonicContact OD2-NZ 2.83Å; D249-K439 PolarHBondContact OD2-NZ 3.16Å
250	S	90.3	Very high	94.4	Very high	12 Å²	12	47.7 Å²	47.7	8%	0.084	26%	0.261	C	S	.	.	S	Bend	trans	-159.9	147.2	-175.2	-168	0	0	0	0	109.8	V252 Q253 Q303 G438	S250-V252 WeakPolarHBondContact CB-O 3.33Å; S250-V252 PolarHBondContact O-N 2.73Å; S250-V252 PolarHBondContact OG-O 2.9Å; S250-Q253 PolarHBondContact O-NE2 3.46Å; S250-Q303 PolarHBondContact OG-NE2 3.45Å; S250-G438 PolarHBondContact OG-O 2.67Å
251	P	92.1	Very high	94.1	Very high	75 Å²	75	50.2 Å²	50.2	49%	0.487	28%	0.281	S	S	.	.	S	Bend	trans	-57.1	-29.6	174.4	-25.2	34.9	0	0	0	113.1	T417 M420	P251-T417 HydrophobicContact CB-CG2 4.01Å; P251-T417 HydrophobicContact CG-CG2 4.07Å; P251-M420 HydrophobicContact CG-CE 4.06Å
252	V	96.4	Very high	93.6	Very high	8 Å²	8	56.6 Å²	56.6	5%	0.048	31%	0.305	C	S	.	.	S	Bend	trans	-113.7	123.4	176.8	179.6	0	0	0	0	110	R248 S250 M420 A424 V436	R248-V252 VanDerWaalsContact CZ-O 3.28Å; R248-V252 PolarHBondContact NE-O 3.43Å; R248-V252 PolarHBondContact NH2-O 3.44Å; S250-V252 WeakPolarHBondContact CB-O 3.33Å; S250-V252 PolarHBondContact O-N 2.73Å; S250-V252 PolarHBondContact OG-O 2.9Å; V252-M420 HydrophobicContact CG2-CB 3.84Å; V252-M420 WeakPolarHBondContact CG2-O 3.41Å; V252-A424 HydrophobicContact CB-CB 4.46Å; V252-A424 HydrophobicContact CG1-CB 3.68Å; V252-A424 HydrophobicContact CG2-CB 3.86Å; V252-V436 HydrophobicContact CG1-CB 4.27Å; V252-V436 HydrophobicContact CG1-CG1 4.49Å; V252-V436 VanDerWaalsContact CG1-O 3.24Å; V252-V436 WeakPolarHBondContact CG1-O 3.34Å
253	Q	95.6	Very high	92.9	Very high	51 Å²	51	57 Å²	57	24%	0.238	33%	0.332	C	S	.	.			trans	-92.9	153.9	175.8	-64.2	-62.3	-40.4	0	0	111.3	R245 R248 S250 R427	R245-Q253 HydrophobicContact CB-CB 4.27Å; R245-Q253 WeakPolarHBondContact O-CB 3.06Å; R245-Q253 VanDerWaalsContact O-CG 3.22Å; R245-Q253 WeakPolarHBondContact O-CG 3.42Å; R245-Q253 PolarHBondContact O-OE1 2.72Å; R245-Q253 VanDerWaalsContact O-OE1 3.12Å; R248-Q253 VanDerWaalsContact NH2-C 3.34Å; R248-Q253 PolarHBondContact O-NE2 3.43Å; R248-Q253 PolarHBondContact O-OE1 3.47Å; S250-Q253 PolarHBondContact O-NE2 3.46Å; Q253-R427 PolarHBondContact O-NH1 3.47Å
254	T	94.9	Very high	92.6	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.018	35%	0.345	C	S	.	.			trans	-65.6	151.6	171.4	175.9	0	0	0	0	110.4	V237 F238 G244 R245 R256	V237-T254 HydrophobicContact CG2-CG2 4.45Å; F238-T254 WeakPolarHBondContact CD2-OG1 3.13Å; G244-T254 WeakPolarHBondContact O-CG2 3.21Å; R245-T254 WeakPolarHBondContact CA-O 3.42Å; R245-T254 WeakPolarHBondContact CB-O 3.4Å; T254-R256 VanDerWaalsContact C-N 3.29Å; T254-R256 HydrophobicContact CG2-CB 4.24Å; T254-R256 PolarHBondContact O-N 3Å; T254-R256 PolarHBondContact OG1-N 3.12Å
255	T	93.7	Very high	92.6	Very high	44 Å²	44	60.6 Å²	60.6	27%	0.27	35%	0.348	S	S	.	.	S	Bend	trans	-69.9	-23.4	177.7	49.9	0	0	0	0	113.3	R245	R245-T255 PolarHBondContact NH2-O 3.26Å
256	R	94.8	Very high	92.6	Very high	48 Å²	48	57 Å²	57	18%	0.181	34%	0.34	C	S	.	.			trans	-53.9	138.3	-179.5	-74.2	178.1	67.6	-179.5	11.7	112.9	V237 F238 G240 P241 G243 G244 R245 T254	V237-R256 PolarHBondContact O-NH1 3.33Å; F238-R256 VanDerWaalsContact O-CD 3.22Å; F238-R256 WeakPolarHBondContact O-CD 3.29Å; F238-R256 PolarHBondContact O-NH1 2.87Å; G240-R256 PolarHBondContact O-NH1 3.06Å; P241-R256 PolarHBondContact O-NH2 3.21Å; G243-R256 PolarHBondContact O-NE 3.27Å; G244-R256 CarbonylContact C-O 3.52Å; G244-R256 WeakPolarHBondContact CA-O 3.31Å; R245-R256 PolarHBondContact N-O 2.94Å; T254-R256 VanDerWaalsContact C-N 3.29Å; T254-R256 HydrophobicContact CG2-CB 4.24Å; T254-R256 PolarHBondContact O-N 3Å; T254-R256 PolarHBondContact OG1-N 3.12Å
257	D	94.1	Very high	92.8	Very high	118 Å²	118	52.1 Å²	52.1	63%	0.631	32%	0.317	S	S	*	.			trans	-75.4	153.7	168.3	-64	-62.6	0	0	0	111.9	R245	R245-D257 IonicContact CZ-OD1 2.86Å; R245-D257 IonicContact NE-OD1 2.74Å; R245-D257 IonicContact NH1-OD1 3.1Å; R245-D257 PolarHBondContact NH1-OD1 3.35Å; R245-D257 IonicContact NH2-OD1 2.75Å; R245-D257 PolarHBondContact NH2-OD1 2.78Å; R245-D257 IonicContact NH2-OD2 2.95Å
258	C	93.6	Very high	92.8	Very high	38 Å²	38	52.4 Å²	52.4	26%	0.257	32%	0.319	S	S	.	.			trans	-152.7	145.7	173.6	56.6	0	0	0	0	111.6	C260	C258-C260 PolarHBondContact O-N 3.12Å
259	S	91.6	Very high	93	Very high	115 Å²	115	57.5 Å²	57.5	80%	0.804	34%	0.343	S	S	*	.			trans	-78.8	30.8	175.6	52.1	0	0	0	0	114.2	A261	S259-A261 PolarHBondContact O-N 3.15Å
260	C	93.5	Very high	93.3	Very high	21 Å²	21	56.6 Å²	56.6	14%	0.142	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-72.4	124.1	-178.8	-69.7	0	0	0	0	111.2	H246 C258 H264 A266	H246-C260 HydrophobicContact CB-CB 4.23Å; C258-C260 PolarHBondContact O-N 3.12Å; C260-H264 WeakPolarHBondContact CB-O 3.44Å; C260-A266 PolarHBondContact SG-N 3.16Å
261	A	89.6	Confident	93.7	Very high	65 Å²	65	56.1 Å²	56.1	54%	0.537	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-74.7	164.5	170.9	0	0	0	0	0	111.6	S259 G263 H264	S259-A261 PolarHBondContact O-N 3.15Å; A261-G263 PolarHBondContact O-N 3.21Å; A261-H264 HydrophobicContact CB-CB 4.27Å; A261-H264 PolarHBondContact O-N 3.01Å
262	Q	85.1	Confident	94	Very high	204 Å²	204	52.7 Å²	52.7	95%	0.953	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	128.3	179.1	-173.3	175.3	3	0	0	111.1	H264	Q262-H264 PolarHBondContact O-N 3.37Å
263	G	82.5	Confident	94.1	Very high	83 Å²	83	57.8 Å²	57.8	86%	0.856	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-0.3	-177	0	0	0	0	0	115.3	A261	A261-G263 PolarHBondContact O-N 3.21Å
264	H	90.5	Very high	94.2	Very high	77 Å²	77	57.6 Å²	57.6	36%	0.356	33%	0.33	S	S	.	.			trans	-125.9	135.5	-173.8	178.3	76.4	0	0	0	112.2	C260 A261 Q262 A266 E269	C260-H264 WeakPolarHBondContact CB-O 3.44Å; A261-H264 HydrophobicContact CB-CB 4.27Å; A261-H264 PolarHBondContact O-N 3.01Å; Q262-H264 PolarHBondContact O-N 3.37Å; H264-A266 PolarHBondContact NE2-N 2.97Å; H264-E269 IonicContact CE1-OE1 3.56Å; H264-E269 PolarHBondContact CE1-OE1 2.8Å; H264-E269 IonicContact CE1-OE2 3.02Å; H264-E269 IonicContact NE2-OE1 3.3Å; H264-E269 IonicContact NE2-OE2 3.05Å
265	C	95.3	Very high	94.4	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.054	33%	0.329	C	S	.	.			trans	-115.6	99.4	180	-173.7	0	0	0	0	111.5	C247 A267 N268 E269	C247-C265 VanDerWaalsContact SG-SG 3.67Å; C265-A267 PolarHBondContact O-N 2.86Å; C265-N268 HydrophobicContact CB-CB 3.91Å; C265-N268 VanDerWaalsContact O-CB 3.26Å; C265-N268 WeakPolarHBondContact O-CB 3.44Å; C265-N268 PolarHBondContact O-N 3.28Å; C265-E269 PolarHBondContact O-N 3.4Å
266	A	95.8	Very high	94.6	Very high	26 Å²	26	60.6 Å²	60.6	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-28.1	179.6	0	0	0	0	0	113	C260 H264 Q270	C260-A266 PolarHBondContact SG-N 3.16Å; H264-A266 PolarHBondContact NE2-N 2.97Å; A266-Q270 WeakPolarHBondContact O-CG 3.37Å; A266-Q270 PolarHBondContact O-N 3.25Å
267	A	97.3	Very high	94.8	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-37.6	174.2	0	0	0	0	0	112.1	W242 C247 C265 Q270 Y271	W242-A267 HydrophobicContact CB-CB 3.85Å; C247-A267 HydrophobicContact CB-CB 4.47Å; C265-A267 PolarHBondContact O-N 2.86Å; A267-Q270 PolarHBondContact O-N 3.19Å; A267-Y271 HydrophobicContact CB-CE2 4.39Å; A267-Y271 WeakPolarHBondContact O-CD2 3.19Å; A267-Y271 PolarHBondContact O-N 3.16Å; A267-Y271 VanDerWaalsContact O-N 3.12Å
268	N	97.7	Very high	95	Very high	6 Å²	6	57 Å²	57	3%	0.032	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-47.8	177.1	178.7	54	0	0	0	111.1	C265 Q270 Y271 I272 P305 Y308 E311	C265-N268 HydrophobicContact CB-CB 3.91Å; C265-N268 VanDerWaalsContact O-CB 3.26Å; C265-N268 WeakPolarHBondContact O-CB 3.44Å; C265-N268 PolarHBondContact O-N 3.28Å; N268-Q270 VanDerWaalsContact C-N 3.29Å; N268-Q270 PolarHBondContact O-N 3.01Å; N268-Y271 PolarHBondContact O-N 3.34Å; N268-I272 WeakPolarHBondContact O-CB 3.2Å; N268-I272 WeakPolarHBondContact O-CG1 3.18Å; N268-I272 PolarHBondContact O-N 3.09Å; N268-P305 HydrophobicContact CB-CB 3.8Å; N268-Y308 WeakPolarHBondContact OD1-CA 3.32Å; N268-Y308 WeakPolarHBondContact OD1-CB 3.43Å; N268-Y308 PolarHBondContact OD1-N 3.15Å; N268-E311 PolarHBondContact ND2-OE1 3.23Å
269	E	97	Very high	95.2	Very high	108 Å²	108	55.4 Å²	55.4	51%	0.505	31%	0.311	S	S	.	.	H	α-helix	trans	-53.9	-44.7	178.1	-60	-167.7	134.8	0	0	112.6	H264 C265 I272 K273	H264-E269 IonicContact CE1-OE1 3.56Å; H264-E269 PolarHBondContact CE1-OE1 2.8Å; H264-E269 IonicContact CE1-OE2 3.02Å; H264-E269 IonicContact NE2-OE1 3.3Å; H264-E269 IonicContact NE2-OE2 3.05Å; C265-E269 PolarHBondContact O-N 3.4Å; E269-I272 PolarHBondContact O-N 3.45Å; E269-K273 WeakPolarHBondContact O-CB 3.44Å; E269-K273 PolarHBondContact O-N 2.74Å
270	Q	97.8	Very high	95.5	Very high	75 Å²	75	53.5 Å²	53.5	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-69.8	-40.8	-177.7	-60	-69.8	5.4	0	0	112.2	W242 A266 A267 N268 K273 Q274	W242-Q270 HydrophobicContact CB-CB 4.43Å; W242-Q270 HydrophobicContact CD2-CB 3.31Å; W242-Q270 HydrophobicContact CD2-CG 4Å; W242-Q270 HydrophobicContact CE3-CB 3.44Å; W242-Q270 VanDerWaalsContact CE3-CB 3.44Å; W242-Q270 HydrophobicContact CG-CB 3.73Å; W242-Q270 HydrophobicContact CG-CG 4Å; W242-Q270 HydrophobicContact CH2-CB 4.28Å; W242-Q270 HydrophobicContact CZ2-CB 4.14Å; W242-Q270 HydrophobicContact CZ3-CB 3.94Å; A266-Q270 WeakPolarHBondContact O-CG 3.37Å; A266-Q270 PolarHBondContact O-N 3.25Å; A267-Q270 PolarHBondContact O-N 3.19Å; N268-Q270 VanDerWaalsContact C-N 3.29Å; N268-Q270 PolarHBondContact O-N 3.01Å; Q270-K273 WeakPolarHBondContact O-CB 3.49Å; Q270-K273 PolarHBondContact O-N 2.9Å; Q270-Q274 PolarHBondContact O-N 3.43Å
271	Y	98.4	Very high	95.7	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-69.8	-33.8	174	-69.8	-64.1	0	0	0	112.6	M233 P235 D236 G240 P241 W242 A267 N268 K273 Q274 L275 P305 Y308	M233-Y271 HydrophobicContact CG-CD1 4.23Å; M233-Y271 HydrophobicContact CG-CE1 4.11Å; M233-Y271 HydrophobicContact SD-CD1 3.85Å; M233-Y271 HydrophobicContact SD-CE1 3.6Å; M233-Y271 VanDerWaalsContact SD-CE1 3.6Å; P235-Y271 HydrophobicContact CB-CD1 3.83Å; P235-Y271 HydrophobicContact CB-CD2 3.66Å; P235-Y271 HydrophobicContact CB-CE1 4.33Å; P235-Y271 HydrophobicContact CB-CE2 4.16Å; P235-Y271 HydrophobicContact CB-CG 3.49Å; P235-Y271 VanDerWaalsContact CB-CG 3.49Å; D236-Y271 PolarHBondContact O-OH 3.35Å; G240-Y271 VanDerWaalsContact C-OH 3.31Å; G240-Y271 VanDerWaalsContact CA-OH 3.3Å; G240-Y271 WeakPolarHBondContact CA-OH 3.07Å; P241-Y271 WeakPolarHBondContact CD-OH 3.48Å; P241-Y271 HydrophobicContact CG-CE1 4.22Å; W242-Y271 HydrophobicContact CB-CE2 4.02Å; W242-Y271 AromaticContact CE3-CD1 3.58Å; W242-Y271 HydrophobicContact CE3-CD1 3.58Å; W242-Y271 HydrophobicContact CE3-CD2 4.13Å; W242-Y271 AromaticContact CE3-CE1 3.47Å; W242-Y271 HydrophobicContact CE3-CE1 3.47Å; W242-Y271 VanDerWaalsContact CE3-CE1 3.47Å; W242-Y271 HydrophobicContact CE3-CE2 4.06Å; W242-Y271 AromaticContact CE3-CG 3.9Å; W242-Y271 HydrophobicContact CE3-CG 3.9Å; W242-Y271 AromaticContact CE3-CZ 3.71Å; W242-Y271 AromaticContact CZ3-CD1 3.67Å; W242-Y271 HydrophobicContact CZ3-CD1 3.67Å; W242-Y271 AromaticContact CZ3-CE1 3.77Å; W242-Y271 HydrophobicContact CZ3-CE1 3.77Å; W242-Y271 HydrophobicContact CZ3-CG 4.26Å; W242-Y271 PolarHBondContact N-OH 3.49Å; W242-Y271 VanDerWaalsContact O-CE2 3.25Å; W242-Y271 WeakPolarHBondContact O-CE2 3.42Å; W242-Y271 PolarHBondContact O-OH 3.12Å; A267-Y271 HydrophobicContact CB-CE2 4.39Å; A267-Y271 WeakPolarHBondContact O-CD2 3.19Å; A267-Y271 PolarHBondContact O-N 3.16Å; A267-Y271 VanDerWaalsContact O-N 3.12Å; N268-Y271 PolarHBondContact O-N 3.34Å; Y271-K273 VanDerWaalsContact C-N 3.33Å; Y271-Q274 PolarHBondContact O-N 2.78Å; Y271-L275 PolarHBondContact O-N 3.49Å; Y271-P305 HydrophobicContact CD2-CG 3.72Å; Y271-P305 HydrophobicContact CE2-CG 4.13Å; Y271-Y308 VanDerWaalsContact CB-CE2 3.49Å
272	I	98.6	Very high	96.1	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-67.9	-35	173.2	-71.8	-64.6	0	0	0	110.8	N268 E269 L275 K276 Y308 E311 A312 L315	N268-I272 WeakPolarHBondContact O-CB 3.2Å; N268-I272 WeakPolarHBondContact O-CG1 3.18Å; N268-I272 PolarHBondContact O-N 3.09Å; E269-I272 PolarHBondContact O-N 3.45Å; I272-L275 HydrophobicContact CD1-CD2 4.44Å; I272-L275 PolarHBondContact O-N 3.24Å; I272-K276 HydrophobicContact CG2-CD 4.39Å; I272-K276 WeakPolarHBondContact O-CG 3.19Å; I272-K276 PolarHBondContact O-N 2.67Å; I272-Y308 HydrophobicContact CD1-CD2 3.79Å; I272-Y308 HydrophobicContact CD1-CE2 3.64Å; I272-Y308 HydrophobicContact CD1-CG 4.5Å; I272-Y308 HydrophobicContact CG1-CD2 3.96Å; I272-Y308 HydrophobicContact CG1-CE2 4Å; I272-E311 HydrophobicContact CD1-CB 3.56Å; I272-E311 HydrophobicContact CG1-CB 4.01Å; I272-A312 HydrophobicContact CD1-CB 4.37Å; I272-L315 HydrophobicContact CD1-CD1 4.4Å; I272-L315 HydrophobicContact CG2-CD1 3.85Å
273	K	98.4	Very high	96.7	Very high	114 Å²	114	49 Å²	49	50%	0.496	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-45.8	168.9	-171.5	-171	176	-161.9	0	111.5	E269 Q270 Y271 L275 K276 E277	E269-K273 WeakPolarHBondContact O-CB 3.44Å; E269-K273 PolarHBondContact O-N 2.74Å; Q270-K273 WeakPolarHBondContact O-CB 3.49Å; Q270-K273 PolarHBondContact O-N 2.9Å; Y271-K273 VanDerWaalsContact C-N 3.33Å; K273-L275 VanDerWaalsContact C-N 3.33Å; K273-L275 PolarHBondContact O-N 3.17Å; K273-K276 WeakPolarHBondContact O-CB 3.31Å; K273-K276 PolarHBondContact O-N 2.93Å; K273-K276 VanDerWaalsContact O-N 3.16Å; K273-E277 WeakPolarHBondContact CE-OE1 3.33Å; K273-E277 IonicContact NZ-OE1 3.15Å; K273-E277 WeakPolarHBondContact O-CG 3.3Å; K273-E277 PolarHBondContact O-N 2.87Å
274	Q	98.3	Very high	97.4	Very high	47 Å²	47	47.7 Å²	47.7	22%	0.22	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-36.8	174.7	-71.9	-63.6	-71.1	0	0	113.3	M233 W242 Q270 Y271 E277 T278	M233-Q274 HydrophobicContact CB-CB 4.43Å; M233-Q274 HydrophobicContact CE-CG 3.94Å; M233-Q274 HydrophobicContact SD-CG 4.21Å; W242-Q274 HydrophobicContact CH2-CG 3.56Å; W242-Q274 HydrophobicContact CZ3-CG 3.63Å; Q270-Q274 PolarHBondContact O-N 3.43Å; Y271-Q274 PolarHBondContact O-N 2.78Å; Q274-E277 PolarHBondContact NE2-OE2 2.94Å; Q274-E277 PolarHBondContact O-N 3.37Å; Q274-T278 PolarHBondContact O-N 3.25Å; Q274-T278 PolarHBondContact O-OG1 2.79Å
275	L	98.7	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-43.7	172.4	178.1	59.7	0	0	0	111.6	T232 Y271 I272 K273 E277 T278 L279 F290 A312 L315	T232-L275 HydrophobicContact CG2-CD1 4.22Å; Y271-L275 PolarHBondContact O-N 3.49Å; I272-L275 HydrophobicContact CD1-CD2 4.44Å; I272-L275 PolarHBondContact O-N 3.24Å; K273-L275 VanDerWaalsContact C-N 3.33Å; K273-L275 PolarHBondContact O-N 3.17Å; L275-E277 VanDerWaalsContact C-N 3.34Å; L275-E277 PolarHBondContact O-N 2.86Å; L275-T278 WeakPolarHBondContact O-CB 3.17Å; L275-T278 PolarHBondContact O-N 3.01Å; L275-L279 HydrophobicContact CD1-CD1 4.35Å; L275-L279 HydrophobicContact CD1-CG 4.31Å; L275-L279 HydrophobicContact CG-CD1 4.13Å; L275-L279 WeakPolarHBondContact O-CG 3.4Å; L275-L279 PolarHBondContact O-N 3.13Å; L275-F290 HydrophobicContact CD1-CE2 4.41Å; L275-A312 HydrophobicContact CD2-CB 3.5Å; L275-L315 HydrophobicContact CD2-CD1 4.2Å
276	K	98.7	Very high	97.9	Very high	110 Å²	110	56.4 Å²	56.4	48%	0.478	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-40.5	174.8	-72.1	171.7	-179.9	175.1	0	112.2	I272 K273 L279 A280 L315	I272-K276 HydrophobicContact CG2-CD 4.39Å; I272-K276 WeakPolarHBondContact O-CG 3.19Å; I272-K276 PolarHBondContact O-N 2.67Å; K273-K276 WeakPolarHBondContact O-CB 3.31Å; K273-K276 PolarHBondContact O-N 2.93Å; K273-K276 VanDerWaalsContact O-N 3.16Å; K276-L279 PolarHBondContact O-N 3.01Å; K276-A280 WeakPolarHBondContact O-CB 3.45Å; K276-A280 PolarHBondContact O-N 2.78Å; K276-L315 HydrophobicContact CG-CD1 4Å; K276-L315 HydrophobicContact CG-CD2 4.33Å
277	E	98.4	Very high	98.1	Very high	75 Å²	75	55.1 Å²	55.1	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-45	173.2	-73.5	170.9	-158.5	0	0	111	K273 Q274 L275 L279 A280 T281	K273-E277 WeakPolarHBondContact CE-OE1 3.33Å; K273-E277 IonicContact NZ-OE1 3.15Å; K273-E277 WeakPolarHBondContact O-CG 3.3Å; K273-E277 PolarHBondContact O-N 2.87Å; Q274-E277 PolarHBondContact NE2-OE2 2.94Å; Q274-E277 PolarHBondContact O-N 3.37Å; L275-E277 VanDerWaalsContact C-N 3.34Å; L275-E277 PolarHBondContact O-N 2.86Å; E277-L279 PolarHBondContact O-N 3.26Å; E277-A280 PolarHBondContact O-N 2.91Å; E277-A280 VanDerWaalsContact O-N 3.08Å; E277-T281 WeakPolarHBondContact O-CB 3.22Å; E277-T281 WeakPolarHBondContact O-CG2 3.36Å; E277-T281 PolarHBondContact O-N 2.9Å; E277-T281 PolarHBondContact O-OG1 2.85Å
278	T	98.4	Very high	98.1	Very high	17 Å²	17	55 Å²	55	10%	0.104	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-46.5	175.1	-53.8	0	0	0	0	111.3	T230 T232 Q274 L275 A280 T281 S282	T230-T278 HydrophobicContact CG2-CG2 3.99Å; T232-T278 PolarHBondContact OG1-OG1 3.22Å; Q274-T278 PolarHBondContact O-N 3.25Å; Q274-T278 PolarHBondContact O-OG1 2.79Å; L275-T278 WeakPolarHBondContact O-CB 3.17Å; L275-T278 PolarHBondContact O-N 3.01Å; T278-A280 PolarHBondContact O-N 3.23Å; T278-T281 PolarHBondContact O-N 3.47Å; T278-S282 WeakPolarHBondContact O-CB 3.48Å; T278-S282 PolarHBondContact O-N 3.24Å
279	L	98.4	Very high	98.2	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-18.5	176.7	-70	171.2	0	0	0	114.2	I197 L275 K276 E277 V283 I287 L315 R319	I197-L279 HydrophobicContact CD1-CD2 3.46Å; I197-L279 VanDerWaalsContact CD1-CD2 3.46Å; I197-L279 HydrophobicContact CD1-CG 4.34Å; L275-L279 HydrophobicContact CD1-CD1 4.35Å; L275-L279 HydrophobicContact CD1-CG 4.31Å; L275-L279 HydrophobicContact CG-CD1 4.13Å; L275-L279 WeakPolarHBondContact O-CG 3.4Å; L275-L279 PolarHBondContact O-N 3.13Å; K276-L279 PolarHBondContact O-N 3.01Å; E277-L279 PolarHBondContact O-N 3.26Å; L279-V283 HydrophobicContact CD2-CG2 4.18Å; L279-I287 HydrophobicContact CD2-CD1 3.96Å; L279-L315 HydrophobicContact CD1-CB 4.1Å; L279-R319 HydrophobicContact CD2-CG 4.3Å; L279-R319 VanDerWaalsContact O-CZ 3.22Å; L279-R319 PolarHBondContact O-NH1 2.56Å; L279-R319 PolarHBondContact O-NH2 3Å
280	A	97.9	Very high	98.3	Very high	74 Å²	74	49.5 Å²	49.5	61%	0.612	27%	0.265	S	S	*	.	H	α-helix	trans	-96.3	-24.8	179	0	0	0	0	0	113.5	K276 E277 T278	K276-A280 WeakPolarHBondContact O-CB 3.45Å; K276-A280 PolarHBondContact O-N 2.78Å; E277-A280 PolarHBondContact O-N 2.91Å; E277-A280 VanDerWaalsContact O-N 3.08Å; T278-A280 PolarHBondContact O-N 3.23Å
281	T	97.9	Very high	98.3	Very high	113 Å²	113	46 Å²	46	69%	0.693	25%	0.248	S	C	*	.	H	α-helix	trans	-122.6	-19	-167	59.9	0	0	0	0	115.2	E277 T278	E277-T281 WeakPolarHBondContact O-CB 3.22Å; E277-T281 WeakPolarHBondContact O-CG2 3.36Å; E277-T281 PolarHBondContact O-N 2.9Å; E277-T281 PolarHBondContact O-OG1 2.85Å; T278-T281 PolarHBondContact O-N 3.47Å
282	S	97.6	Very high	98.3	Very high	62 Å²	62	46 Å²	46	43%	0.434	25%	0.248	S	C	.	.	S	Bend	trans	-128.7	2.2	-164.3	-55.3	0	0	0	0	115	T230 T278	T230-S282 PolarHBondContact OG1-O 2.8Å; T278-S282 WeakPolarHBondContact O-CB 3.48Å; T278-S282 PolarHBondContact O-N 3.24Å
283	V	97.6	Very high	98.3	Very high	21 Å²	21	46 Å²	46	13%	0.127	25%	0.248	C	C	.	.	S	Bend	trans	-147.9	161.5	177	-69.6	0	0	0	0	110.6	D195 I197 T230 L279 I287	D195-V283 HydrophobicContact CB-CB 4.43Å; D195-V283 HydrophobicContact CB-CG1 4.13Å; I197-V283 HydrophobicContact CD1-CG1 3.99Å; I197-V283 HydrophobicContact CD1-CG2 4.13Å; I197-V283 HydrophobicContact CG1-CG1 3.95Å; T230-V283 HydrophobicContact CG2-CG1 3.98Å; L279-V283 HydrophobicContact CD2-CG2 4.18Å; V283-I287 HydrophobicContact CB-CG2 3.81Å; V283-I287 HydrophobicContact CG1-CG2 4.29Å; V283-I287 HydrophobicContact CG2-CG2 3.77Å
284	P	97.6	Very high	98.3	Very high	55 Å²	55	40.7 Å²	40.7	36%	0.357	23%	0.226	S	C	.	.			trans	-62.9	167.9	172.8	-22	34.6	0	0	0	113.6	D195 R286	D195-P284 VanDerWaalsContact OD2-CD 3.23Å; D195-P284 WeakPolarHBondContact OD2-CD 3.35Å; D195-P284 VanDerWaalsContact OD2-CG 3.31Å; D195-P284 WeakPolarHBondContact OD2-CG 3.38Å; P284-R286 PolarHBondContact O-N 2.85Å; P284-R286 VanDerWaalsContact O-N 3.1Å
285	P	97.6	Very high	98.2	Very high	104 Å²	104	38.8 Å²	38.8	68%	0.675	22%	0.217	S	C	*	.	S	Bend	trans	-57.6	-25.2	178.5	-28	36.7	0	0	0	115.1	R319	P285-R319 WeakPolarHBondContact O-CD 3.47Å; P285-R319 PolarHBondContact O-NH1 3.04Å
286	R	98.4	Very high	98.1	Very high	164 Å²	164	39 Å²	39	62%	0.619	22%	0.218	S	C	*	.	S	Bend	trans	-123.5	145.4	170	-60.5	-165.2	-59.7	-144.5	-1	110.5	N193 P284 R319	N193-R286 WeakPolarHBondContact OD1-CB 3.26Å; P284-R286 PolarHBondContact O-N 2.85Å; P284-R286 VanDerWaalsContact O-N 3.1Å; R286-R319 VanDerWaalsContact CA-O 3.27Å; R286-R319 WeakPolarHBondContact CA-O 3.18Å; R286-R319 WeakPolarHBondContact CB-O 3.46Å
287	I	98.7	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.			trans	-125.1	161.8	-178.5	64.1	177.3	0	0	0	110.7	N193 D195 I197 L279 V283 V316 R319 G321	N193-I287 WeakPolarHBondContact CB-O 3.36Å; N193-I287 PolarHBondContact ND2-O 2.94Å; D195-I287 HydrophobicContact CB-CG2 4.34Å; D195-I287 WeakPolarHBondContact O-CB 3.42Å; I197-I287 HydrophobicContact CD1-CD1 3.89Å; I197-I287 HydrophobicContact CG1-CD1 4.4Å; L279-I287 HydrophobicContact CD2-CD1 3.96Å; V283-I287 HydrophobicContact CB-CG2 3.81Å; V283-I287 HydrophobicContact CG1-CG2 4.29Å; V283-I287 HydrophobicContact CG2-CG2 3.77Å; I287-V316 HydrophobicContact CD1-CG1 4.28Å; I287-V316 HydrophobicContact CD1-CG2 4.45Å; I287-R319 HydrophobicContact CG1-CB 4.23Å; I287-R319 PolarHBondContact N-O 2.89Å; I287-G321 WeakPolarHBondContact O-CA 3.46Å
288	A	98.8	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-79.1	-51.1	176.4	0	0	0	0	0	111.6	R188 T191 N193 D195 I196 G321 I322	R188-A288 HydrophobicContact CG-CB 3.84Å; T191-A288 WeakPolarHBondContact CG2-O 3.37Å; T191-A288 WeakPolarHBondContact OG1-CA 3.47Å; N193-A288 HydrophobicContact CB-CB 4.27Å; N193-A288 WeakPolarHBondContact O-CB 3.42Å; D195-A288 WeakPolarHBondContact O-CB 3.1Å; D195-A288 PolarHBondContact O-N 3.32Å; I196-A288 HydrophobicContact CG1-CB 3.97Å; A288-G321 WeakPolarHBondContact O-CA 3.39Å; A288-I322 WeakPolarHBondContact O-CG1 3.48Å; A288-I322 PolarHBondContact O-N 3.01Å
289	A	98.8	Very high	97.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	170.1	-176	0	0	0	0	0	115.4	A187 I196 I197 I322 I324	A187-A289 HydrophobicContact CB-CB 3.83Å; I196-A289 WeakPolarHBondContact CA-O 3.37Å; I196-A289 HydrophobicContact CG1-CB 4.29Å; I196-A289 HydrophobicContact CG2-CB 4.18Å; I197-A289 PolarHBondContact N-O 2.96Å; A289-I322 CarbonylContact C-O 3.5Å; A289-I322 WeakPolarHBondContact CA-O 3.28Å; A289-I322 HydrophobicContact CB-CG1 4.14Å; A289-I322 WeakPolarHBondContact CB-O 3.4Å; A289-I324 HydrophobicContact CB-CD1 3.56Å; A289-I324 HydrophobicContact CB-CG1 4.22Å
290	F	98.8	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.2	163.7	178.9	-99.3	0	0	0	109.9	I197 F199 T232 L275 A292 L309 A312 F313 V316 I322 I324	I197-F290 HydrophobicContact CB-CD2 3.88Å; I197-F290 HydrophobicContact CG2-CD2 3.65Å; I197-F290 HydrophobicContact CG2-CE2 3.86Å; I197-F290 CarbonylContact O-C 3.56Å; I197-F290 WeakPolarHBondContact O-CA 3.46Å; F199-F290 HydrophobicContact CD1-CZ 4.5Å; F199-F290 HydrophobicContact CE1-CE2 4.44Å; F199-F290 AromaticContact CE1-CZ 3.76Å; F199-F290 HydrophobicContact CE1-CZ 3.76Å; F199-F290 HydrophobicContact CE2-CE1 4.5Å; F199-F290 HydrophobicContact CE2-CZ 4.12Å; F199-F290 HydrophobicContact CZ-CE1 4.17Å; F199-F290 AromaticContact CZ-CZ 3.56Å; F199-F290 HydrophobicContact CZ-CZ 3.56Å; T232-F290 HydrophobicContact CG2-CE2 4.26Å; L275-F290 HydrophobicContact CD1-CE2 4.41Å; F290-A292 HydrophobicContact CD1-CB 4.34Å; F290-A292 HydrophobicContact CE1-CB 3.8Å; F290-L309 HydrophobicContact CE1-CD2 4.23Å; F290-A312 HydrophobicContact CE1-CB 4.3Å; F290-A312 HydrophobicContact CZ-CB 4.33Å; F290-F313 HydrophobicContact CD1-CD1 4Å; F290-F313 AromaticContact CD1-CE1 3.81Å; F290-F313 HydrophobicContact CD1-CE1 3.81Å; F290-F313 HydrophobicContact CE1-CD1 4.26Å; F290-F313 HydrophobicContact CE1-CE1 4Å; F290-V316 HydrophobicContact CB-CB 4.17Å; F290-V316 HydrophobicContact CB-CG1 3.77Å; F290-V316 HydrophobicContact CB-CG2 3.42Å; F290-V316 VanDerWaalsContact CB-CG2 3.42Å; F290-V316 HydrophobicContact CD1-CG2 4.48Å; F290-V316 HydrophobicContact CD2-CG2 4.14Å; F290-V316 HydrophobicContact CG-CG2 3.8Å; F290-I322 PolarHBondContact N-O 2.74Å; F290-I324 PolarHBondContact O-N 3.28Å
291	F	98.4	Very high	97.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.2	175.6	-95.6	-98.2	0	0	0	110.9	N180 A183 M184 I196 I197 L213 I324	N180-F291 HydrophobicContact CB-CE1 4.26Å; N180-F291 WeakPolarHBondContact OD1-CE1 3.43Å; A183-F291 HydrophobicContact CB-CE1 4.49Å; A183-F291 HydrophobicContact CB-CZ 3.84Å; M184-F291 HydrophobicContact CG-CE2 3.69Å; M184-F291 HydrophobicContact CG-CZ 3.88Å; I196-F291 HydrophobicContact CG2-CD2 3.64Å; I196-F291 HydrophobicContact CG2-CE2 4.26Å; I197-F291 PolarHBondContact O-N 3.27Å; L213-F291 HydrophobicContact CD1-CB 4.34Å; L213-F291 HydrophobicContact CD1-CD1 3.79Å; L213-F291 HydrophobicContact CD1-CD2 3.64Å; L213-F291 HydrophobicContact CD1-CE1 3.85Å; L213-F291 HydrophobicContact CD1-CE2 3.67Å; L213-F291 HydrophobicContact CD1-CG 3.67Å; L213-F291 HydrophobicContact CD1-CZ 3.77Å; L213-F291 HydrophobicContact CD2-CB 4.48Å; L213-F291 HydrophobicContact CD2-CD2 4.18Å; L213-F291 HydrophobicContact CD2-CG 4.44Å; F291-I324 HydrophobicContact CD1-CB 4.23Å; F291-I324 HydrophobicContact CD1-CG2 3.89Å; F291-I324 HydrophobicContact CD2-CB 4.21Å; F291-I324 HydrophobicContact CD2-CD1 3.76Å; F291-I324 HydrophobicContact CE1-CB 4.29Å; F291-I324 HydrophobicContact CE1-CG2 3.59Å; F291-I324 HydrophobicContact CE2-CB 4.31Å; F291-I324 HydrophobicContact CE2-CD1 3.3Å; F291-I324 HydrophobicContact CE2-CG1 4.36Å; F291-I324 HydrophobicContact CE2-CG2 4.29Å; F291-I324 HydrophobicContact CG-CB 4.21Å; F291-I324 HydrophobicContact CG-CG2 4.36Å; F291-I324 HydrophobicContact CZ-CB 4.35Å; F291-I324 HydrophobicContact CZ-CD1 3.74Å; F291-I324 HydrophobicContact CZ-CG2 3.84Å
292	A	98.4	Very high	97.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	124.6	173.6	0	0	0	0	0	111.5	F199 F290 L309 I324 A325 D326	F199-A292 HydrophobicContact CD2-CB 4.43Å; F199-A292 HydrophobicContact CE2-CB 3.69Å; F199-A292 HydrophobicContact CZ-CB 4.46Å; F290-A292 HydrophobicContact CD1-CB 4.34Å; F290-A292 HydrophobicContact CE1-CB 3.8Å; A292-L309 HydrophobicContact CB-CD2 3.8Å; A292-I324 PolarHBondContact N-O 2.82Å; A292-A325 WeakPolarHBondContact O-CA 3.42Å; A292-D326 PolarHBondContact O-N 3.28Å
293	E	98.8	Very high	97.4	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.019	10%	0.097	C	C	.	.			trans	-62.4	128.8	152	-62.3	173.2	-95	0	0	106.7	S202 Y203 L295 G297 Y304 D326	S202-E293 WeakPolarHBondContact CA-OE1 3.39Å; Y203-E293 PolarHBondContact N-OE1 2.78Å; E293-L295 PolarHBondContact O-N 2.72Å; E293-L295 VanDerWaalsContact O-N 3.13Å; E293-G297 PolarHBondContact OE2-N 2.86Å; E293-Y304 WeakPolarHBondContact O-CE2 3.23Å; E293-Y304 PolarHBondContact O-OH 3.3Å; E293-D326 HydrophobicContact CG-CB 4.25Å
294	P	97.9	Very high	97.4	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.019	9%	0.092	C	C	.	.	S	Bend	trans	-59.2	-24	175.4	-22.9	30.6	0	0	0	113.4	Y304 D326 E327 T330 F342 H345	P294-Y304 WeakPolarHBondContact O-CE2 3.48Å; P294-D326 WeakPolarHBondContact CD-O 3.4Å; P294-E327 VanDerWaalsContact CG-OE1 3.25Å; P294-E327 WeakPolarHBondContact CG-OE1 3.47Å; P294-T330 HydrophobicContact CB-CG2 4.37Å; P294-T330 WeakPolarHBondContact CD-OG1 3.32Å; P294-T330 WeakPolarHBondContact CG-OG1 3.14Å; P294-F342 HydrophobicContact CG-CB 4.31Å; P294-H345 PolarHBondContact O-CE1 2.92Å; P294-H345 PolarHBondContact O-NE2 3.48Å
295	L	96.6	Very high	97.3	Very high	7 Å²	7	15.1 Å²	15.1	4%	0.037	8%	0.075	C	C	.	.	S	Bend	trans	-153.9	112.6	175.1	-179.9	153.6	0	0	0	106.9	E293 G297 A301 V302 Q303 T330 K439 Q442	E293-L295 PolarHBondContact O-N 2.72Å; E293-L295 VanDerWaalsContact O-N 3.13Å; L295-G297 PolarHBondContact O-N 3.42Å; L295-A301 VanDerWaalsContact CD2-CA 3.48Å; L295-A301 HydrophobicContact CD2-CB 3.87Å; L295-V302 WeakPolarHBondContact CA-O 3.34Å; L295-Q303 HydrophobicContact CD1-CG 3.47Å; L295-Q303 VanDerWaalsContact CD1-CG 3.47Å; L295-Q303 HydrophobicContact CG-CG 4.04Å; L295-T330 HydrophobicContact CB-CG2 3.92Å; L295-K439 HydrophobicContact CD1-CB 4.35Å; L295-K439 HydrophobicContact CD1-CG 4.45Å; L295-Q442 HydrophobicContact CD2-CB 4.4Å; L295-Q442 HydrophobicContact CD2-CG 3.75Å; L295-Q442 VanDerWaalsContact CD2-NE2 3.27Å; L295-Q442 PolarHBondContact O-NE2 3.13Å
296	Q	97.4	Very high	97.3	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.019	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-58.6	113.1	-169.4	-65.9	-169	-30.3	0	0	111.3	R200 C234 G300 A301 V302 Y304	R200-Q296 PolarHBondContact O-NE2 3.26Å; C234-Q296 VanDerWaalsContact SG-CD 3.54Å; C234-Q296 PolarHBondContact SG-NE2 2.99Å; C234-Q296 PolarHBondContact SG-OE1 2.91Å; C234-Q296 VanDerWaalsContact SG-OE1 3.4Å; Q296-G300 PolarHBondContact O-N 3.28Å; Q296-A301 WeakPolarHBondContact O-CA 3.45Å; Q296-A301 PolarHBondContact O-N 3.46Å; Q296-V302 HydrophobicContact CB-CB 4.01Å; Q296-V302 HydrophobicContact CB-CG2 4.27Å; Q296-V302 HydrophobicContact CG-CB 4.28Å; Q296-V302 PolarHBondContact N-O 2.86Å; Q296-V302 PolarHBondContact O-N 3.16Å; Q296-Y304 HydrophobicContact CG-CE1 4.21Å; Q296-Y304 VanDerWaalsContact CG-OH 3.32Å; Q296-Y304 WeakPolarHBondContact CG-OH 3.33Å
297	G	95.9	Very high	97.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-43.6	-171.7	0	0	0	0	0	113	E293 L295 R487	E293-G297 PolarHBondContact OE2-N 2.86Å; L295-G297 PolarHBondContact O-N 3.42Å; G297-R487 VanDerWaalsContact O-CZ 3.31Å; G297-R487 PolarHBondContact O-NE 3Å; G297-R487 PolarHBondContact O-NH2 2.93Å
298	V	96.3	Very high	97.1	Very high	7 Å²	7	9.9 Å²	9.9	4%	0.042	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-36.3	175.5	179.5	0	0	0	0	111.7	Y203 Y219 G300 G480	Y203-V298 HydrophobicContact CD1-CG2 3.79Å; Y203-V298 HydrophobicContact CD2-CG1 4.5Å; Y203-V298 HydrophobicContact CD2-CG2 4.35Å; Y203-V298 HydrophobicContact CG-CB 4.08Å; Y203-V298 HydrophobicContact CG-CG1 4.4Å; Y203-V298 HydrophobicContact CG-CG2 3.66Å; Y219-V298 HydrophobicContact CE2-CG1 3.77Å; V298-G300 PolarHBondContact O-N 2.88Å; V298-G480 PolarHBondContact O-N 3.05Å
299	G	95.1	Very high	97.1	Very high	3 Å²	3	10 Å²	10	3%	0.031	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.8	170.7	0	0	0	0	0	114.1	G201 V302 G480	G201-G299 WeakPolarHBondContact O-CA 3.45Å; G299-V302 WeakPolarHBondContact O-CG2 3.39Å; G299-G480 WeakPolarHBondContact O-CA 3.41Å
300	G	95.4	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	55.2	167	0	0	0	0	0	112.9	Q296 V298 V302 R437	Q296-G300 PolarHBondContact O-N 3.28Å; V298-G300 PolarHBondContact O-N 2.88Å; G300-V302 PolarHBondContact O-N 3.41Å; G300-R437 PolarHBondContact O-NE 2.85Å; G300-R437 PolarHBondContact O-NH2 3.02Å; G300-R437 VanDerWaalsContact O-NH2 3.09Å
301	A	96.3	Very high	97	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	55	33.5	-179.3	0	0	0	0	0	114.4	L295 Q296 Q303 R437	L295-A301 VanDerWaalsContact CD2-CA 3.48Å; L295-A301 HydrophobicContact CD2-CB 3.87Å; Q296-A301 WeakPolarHBondContact O-CA 3.45Å; Q296-A301 PolarHBondContact O-N 3.46Å; A301-Q303 PolarHBondContact O-N 2.96Å; A301-R437 HydrophobicContact CB-CG 4.41Å; A301-R437 WeakPolarHBondContact O-CD 3.37Å; A301-R437 PolarHBondContact O-NE 3.46Å
302	V	96.8	Very high	97.1	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.024	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-64.5	124.3	-175.4	-174.7	0	0	0	0	109.8	D236 L295 Q296 G299 G300	D236-V302 HydrophobicContact CB-CG1 3.81Å; L295-V302 WeakPolarHBondContact CA-O 3.34Å; Q296-V302 HydrophobicContact CB-CB 4.01Å; Q296-V302 HydrophobicContact CB-CG2 4.27Å; Q296-V302 HydrophobicContact CG-CB 4.28Å; Q296-V302 PolarHBondContact N-O 2.86Å; Q296-V302 PolarHBondContact O-N 3.16Å; G299-V302 WeakPolarHBondContact O-CG2 3.39Å; G300-V302 PolarHBondContact O-N 3.41Å
303	Q	95.9	Very high	97.1	Very high	11 Å²	11	18.3 Å²	18.3	5%	0.051	9%	0.087	C	C	.	.			trans	-104.7	133.4	175.2	-76.7	-176.8	94.8	0	0	110.2	R248 D249 S250 L295 A301 G438	R248-Q303 HydrophobicContact CB-CB 4.39Å; D249-Q303 PolarHBondContact O-OE1 2.97Å; D249-Q303 VanDerWaalsContact O-OE1 3.06Å; S250-Q303 PolarHBondContact OG-NE2 3.45Å; L295-Q303 HydrophobicContact CD1-CG 3.47Å; L295-Q303 VanDerWaalsContact CD1-CG 3.47Å; L295-Q303 HydrophobicContact CG-CG 4.04Å; A301-Q303 PolarHBondContact O-N 2.96Å; Q303-G438 PolarHBondContact NE2-O 2.96Å; Q303-G438 VanDerWaalsContact NE2-O 3.13Å; Q303-G438 PolarHBondContact OE1-O 2.84Å
304	Y	97.1	Very high	97.1	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.02	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-80.1	163.7	-178.4	-46.6	-42.2	0	0	0	112	F199 P235 E293 P294 Q296 L309 H345	F199-Y304 HydrophobicContact CD2-CE1 4.35Å; F199-Y304 AromaticContact CD2-CZ 3.96Å; F199-Y304 WeakPolarHBondContact CD2-OH 3.09Å; F199-Y304 HydrophobicContact CE2-CE1 4.07Å; F199-Y304 AromaticContact CE2-CE2 3.87Å; F199-Y304 HydrophobicContact CE2-CE2 3.87Å; F199-Y304 AromaticContact CE2-CZ 3.51Å; F199-Y304 WeakPolarHBondContact CE2-OH 3.5Å; F199-Y304 HydrophobicContact CZ-CE1 4.42Å; F199-Y304 HydrophobicContact CZ-CE2 4.31Å; P235-Y304 HydrophobicContact CG-CD1 3.54Å; P235-Y304 HydrophobicContact CG-CE1 4.23Å; P235-Y304 HydrophobicContact CG-CG 3.93Å; P235-Y304 WeakPolarHBondContact O-CA 3.38Å; E293-Y304 WeakPolarHBondContact O-CE2 3.23Å; E293-Y304 PolarHBondContact O-OH 3.3Å; P294-Y304 WeakPolarHBondContact O-CE2 3.48Å; Q296-Y304 HydrophobicContact CG-CE1 4.21Å; Q296-Y304 VanDerWaalsContact CG-OH 3.32Å; Q296-Y304 WeakPolarHBondContact CG-OH 3.33Å; Y304-L309 HydrophobicContact CD2-CD1 4.02Å; Y304-L309 HydrophobicContact CD2-CD2 4.07Å; Y304-L309 HydrophobicContact CD2-CG 3.85Å; Y304-L309 HydrophobicContact CE2-CD1 4.04Å; Y304-L309 HydrophobicContact CE2-CD2 4.06Å; Y304-L309 HydrophobicContact CE2-CG 4.18Å; Y304-H345 AromaticContact CD2-CE1 3.82Å
305	P	97	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-55.4	147.3	165.1	-19.7	29.1	0	0	0	111.4	P235 V237 C247 N268 Y271 N307 Y308	P235-P305 HydrophobicContact CB-CG 4.2Å; P235-P305 VanDerWaalsContact O-CD 3.31Å; P235-P305 WeakPolarHBondContact O-CD 3.33Å; V237-P305 HydrophobicContact CG1-CB 4.36Å; V237-P305 HydrophobicContact CG1-CG 3.89Å; C247-P305 CarbonylContact O-C 3.47Å; C247-P305 VanDerWaalsContact O-CA 3.28Å; C247-P305 WeakPolarHBondContact O-CA 3.36Å; N268-P305 HydrophobicContact CB-CB 3.8Å; Y271-P305 HydrophobicContact CD2-CG 3.72Å; Y271-P305 HydrophobicContact CE2-CG 4.13Å; P305-N307 PolarHBondContact O-N 3.47Å; P305-Y308 VanDerWaalsContact O-CB 3.29Å; P305-Y308 WeakPolarHBondContact O-CB 3.33Å; P305-Y308 PolarHBondContact O-N 3.48Å; P305-Y308 VanDerWaalsContact O-N 3.11Å
306	K	95.7	Very high	97.2	Very high	84 Å²	84	24.8 Å²	24.8	37%	0.365	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	138.1	167.3	-71.6	165	180	164.2	0	109.9	H246 C247 R248 D249 Y308	H246-K306 PolarHBondContact O-NZ 2.87Å; C247-K306 WeakPolarHBondContact O-CG 3.24Å; C247-K306 PolarHBondContact O-N 3.02Å; R248-K306 VanDerWaalsContact O-CE 3.23Å; R248-K306 WeakPolarHBondContact O-CE 3.32Å; D249-K306 HydrophobicContact CB-CG 4.31Å; K306-Y308 PolarHBondContact O-N 3.15Å
307	N	96.3	Very high	97.3	Very high	74 Å²	74	29.5 Å²	29.5	40%	0.396	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	-3.1	-177.1	-53	-34.3	0	0	0	117	P305 L309 K310 E311	P305-N307 PolarHBondContact O-N 3.47Å; N307-L309 PolarHBondContact O-N 2.92Å; N307-K310 WeakPolarHBondContact O-CB 3.21Å; N307-K310 PolarHBondContact O-N 3.4Å; N307-K310 VanDerWaalsContact O-N 3.16Å; N307-E311 PolarHBondContact O-N 3.21Å
308	Y	98.3	Very high	97.4	Very high	1 Å²	1	35 Å²	35	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-52	-173.4	-176.3	-85.7	0	0	0	113.8	F199 P235 N268 Y271 I272 P305 K306 K310 E311 A312	F199-Y308 HydrophobicContact CE1-CD1 4.41Å; F199-Y308 AromaticContact CE1-CE1 3.51Å; F199-Y308 HydrophobicContact CE1-CE1 3.51Å; F199-Y308 HydrophobicContact CZ-CD1 4.18Å; F199-Y308 AromaticContact CZ-CE1 3.61Å; F199-Y308 HydrophobicContact CZ-CE1 3.61Å; P235-Y308 HydrophobicContact CB-CD1 4.44Å; P235-Y308 HydrophobicContact CB-CD2 3.99Å; P235-Y308 HydrophobicContact CB-CE2 4.01Å; P235-Y308 HydrophobicContact CB-CG 4.2Å; P235-Y308 HydrophobicContact CG-CD1 3.71Å; P235-Y308 HydrophobicContact CG-CD2 4.14Å; P235-Y308 HydrophobicContact CG-CE1 3.74Å; P235-Y308 HydrophobicContact CG-CE2 4.13Å; P235-Y308 HydrophobicContact CG-CG 3.93Å; N268-Y308 WeakPolarHBondContact OD1-CA 3.32Å; N268-Y308 WeakPolarHBondContact OD1-CB 3.43Å; N268-Y308 PolarHBondContact OD1-N 3.15Å; Y271-Y308 VanDerWaalsContact CB-CE2 3.49Å; I272-Y308 HydrophobicContact CD1-CD2 3.79Å; I272-Y308 HydrophobicContact CD1-CE2 3.64Å; I272-Y308 HydrophobicContact CD1-CG 4.5Å; I272-Y308 HydrophobicContact CG1-CD2 3.96Å; I272-Y308 HydrophobicContact CG1-CE2 4Å; P305-Y308 VanDerWaalsContact O-CB 3.29Å; P305-Y308 WeakPolarHBondContact O-CB 3.33Å; P305-Y308 PolarHBondContact O-N 3.48Å; P305-Y308 VanDerWaalsContact O-N 3.11Å; K306-Y308 PolarHBondContact O-N 3.15Å; Y308-K310 VanDerWaalsContact C-N 3.25Å; Y308-K310 PolarHBondContact O-N 3.05Å; Y308-E311 PolarHBondContact O-N 3.15Å; Y308-A312 HydrophobicContact CD1-CB 4.34Å; Y308-A312 HydrophobicContact CE1-CB 3.88Å; Y308-A312 VanDerWaalsContact O-CB 3.24Å; Y308-A312 WeakPolarHBondContact O-CB 3.48Å; Y308-A312 PolarHBondContact O-N 3.01Å
309	L	98.3	Very high	97.5	Very high	2 Å²	2	38 Å²	38	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-32.7	179.5	-69.5	-175.9	0	0	0	112.1	F199 F290 A292 Y304 N307 A312 F313 H345	F199-L309 HydrophobicContact CE2-CD2 4.2Å; F199-L309 HydrophobicContact CZ-CD2 3.93Å; F290-L309 HydrophobicContact CE1-CD2 4.23Å; A292-L309 HydrophobicContact CB-CD2 3.8Å; Y304-L309 HydrophobicContact CD2-CD1 4.02Å; Y304-L309 HydrophobicContact CD2-CD2 4.07Å; Y304-L309 HydrophobicContact CD2-CG 3.85Å; Y304-L309 HydrophobicContact CE2-CD1 4.04Å; Y304-L309 HydrophobicContact CE2-CD2 4.06Å; Y304-L309 HydrophobicContact CE2-CG 4.18Å; N307-L309 PolarHBondContact O-N 2.92Å; L309-A312 PolarHBondContact O-N 3.15Å; L309-F313 HydrophobicContact CD2-CE1 4.28Å; L309-F313 VanDerWaalsContact O-CB 3.24Å; L309-F313 WeakPolarHBondContact O-CB 3.36Å; L309-F313 VanDerWaalsContact O-CD1 3.3Å; L309-F313 WeakPolarHBondContact O-CD1 3.48Å; L309-F313 VanDerWaalsContact O-CG 3.23Å; L309-F313 WeakPolarHBondContact O-CG 3.48Å; L309-F313 PolarHBondContact O-N 3.02Å; L309-H345 HydrophobicContact CB-CB 4.33Å; L309-H345 HydrophobicContact CD1-CB 4.33Å
310	K	97.6	Very high	97.6	Very high	99 Å²	99	39.8 Å²	39.8	43%	0.43	19%	0.188	S	C	.	.	H	α-helix	trans	-64.1	-44.7	178.2	-167.8	170	-171.5	159.5	0	112.1	N307 Y308 K314 D346 V347	N307-K310 WeakPolarHBondContact O-CB 3.21Å; N307-K310 PolarHBondContact O-N 3.4Å; N307-K310 VanDerWaalsContact O-N 3.16Å; Y308-K310 VanDerWaalsContact C-N 3.25Å; Y308-K310 PolarHBondContact O-N 3.05Å; K310-K314 PolarHBondContact O-N 3.02Å; K310-D346 HydrophobicContact CD-CB 4.45Å; K310-V347 VanDerWaalsContact CA-CG1 3.46Å; K310-V347 HydrophobicContact CB-CG1 3.8Å; K310-V347 HydrophobicContact CG-CG1 4.18Å
311	E	98.4	Very high	97.8	Very high	73 Å²	73	40 Å²	40	34%	0.341	19%	0.19	S	C	.	.	H	α-helix	trans	-75	-39.2	175.2	-73.4	-179.4	-126.6	0	0	112.6	N268 I272 N307 Y308 F313 K314 L315	N268-E311 PolarHBondContact ND2-OE1 3.23Å; I272-E311 HydrophobicContact CD1-CB 3.56Å; I272-E311 HydrophobicContact CG1-CB 4.01Å; N307-E311 PolarHBondContact O-N 3.21Å; Y308-E311 PolarHBondContact O-N 3.15Å; E311-F313 PolarHBondContact O-N 3.43Å; E311-K314 WeakPolarHBondContact O-CB 3.33Å; E311-K314 PolarHBondContact O-N 3.5Å; E311-L315 WeakPolarHBondContact O-CG 3.42Å; E311-L315 PolarHBondContact O-N 2.9Å; E311-L315 VanDerWaalsContact O-N 3.07Å
312	A	98.8	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-46.3	176.2	0	0	0	0	0	111.8	I272 L275 F290 Y308 L309 K314 L315 V316	I272-A312 HydrophobicContact CD1-CB 4.37Å; L275-A312 HydrophobicContact CD2-CB 3.5Å; F290-A312 HydrophobicContact CE1-CB 4.3Å; F290-A312 HydrophobicContact CZ-CB 4.33Å; Y308-A312 HydrophobicContact CD1-CB 4.34Å; Y308-A312 HydrophobicContact CE1-CB 3.88Å; Y308-A312 VanDerWaalsContact O-CB 3.24Å; Y308-A312 WeakPolarHBondContact O-CB 3.48Å; Y308-A312 PolarHBondContact O-N 3.01Å; L309-A312 PolarHBondContact O-N 3.15Å; A312-K314 VanDerWaalsContact C-N 3.3Å; A312-K314 PolarHBondContact O-N 3.42Å; A312-L315 PolarHBondContact O-N 3.23Å; A312-V316 VanDerWaalsContact O-CG2 3.23Å; A312-V316 WeakPolarHBondContact O-CG2 3.16Å; A312-V316 PolarHBondContact O-N 3.47Å
313	F	98.8	Very high	98	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-36	178.3	-77.1	16.3	0	0	0	111.9	F290 L309 E311 V316 R317 C323 V347 P349	F290-F313 HydrophobicContact CD1-CD1 4Å; F290-F313 AromaticContact CD1-CE1 3.81Å; F290-F313 HydrophobicContact CD1-CE1 3.81Å; F290-F313 HydrophobicContact CE1-CD1 4.26Å; F290-F313 HydrophobicContact CE1-CE1 4Å; L309-F313 HydrophobicContact CD2-CE1 4.28Å; L309-F313 VanDerWaalsContact O-CB 3.24Å; L309-F313 WeakPolarHBondContact O-CB 3.36Å; L309-F313 VanDerWaalsContact O-CD1 3.3Å; L309-F313 WeakPolarHBondContact O-CD1 3.48Å; L309-F313 VanDerWaalsContact O-CG 3.23Å; L309-F313 WeakPolarHBondContact O-CG 3.48Å; L309-F313 PolarHBondContact O-N 3.02Å; E311-F313 PolarHBondContact O-N 3.43Å; F313-V316 PolarHBondContact O-N 3.3Å; F313-R317 WeakPolarHBondContact O-CG 3.37Å; F313-R317 PolarHBondContact O-N 3.29Å; F313-R317 VanDerWaalsContact O-N 3.08Å; F313-C323 WeakPolarHBondContact CA-SG 3.27Å; F313-C323 HydrophobicContact CB-CB 4.19Å; F313-C323 VanDerWaalsContact CB-SG 3.51Å; F313-C323 HydrophobicContact CD1-CB 3.74Å; F313-C323 HydrophobicContact CD2-CB 3.53Å; F313-C323 HydrophobicContact CE1-CB 3.91Å; F313-C323 HydrophobicContact CE2-CB 3.72Å; F313-C323 HydrophobicContact CG-CB 3.55Å; F313-C323 VanDerWaalsContact CG-SG 3.53Å; F313-C323 HydrophobicContact CZ-CB 3.9Å; F313-C323 PolarHBondContact O-SG 3Å; F313-V347 HydrophobicContact CD2-CB 3.93Å; F313-V347 HydrophobicContact CD2-CG1 4.14Å; F313-V347 HydrophobicContact CD2-CG2 4.15Å; F313-V347 HydrophobicContact CE2-CB 4.05Å; F313-V347 HydrophobicContact CE2-CG2 3.76Å; F313-P349 HydrophobicContact CE2-CB 4Å
314	K	98.7	Very high	98.1	Very high	129 Å²	129	39.7 Å²	39.7	56%	0.561	19%	0.188	S	C	*	.	H	α-helix	trans	-60.6	-50.7	173	-171.1	-175.4	-176.6	-97	0	111.2	K310 E311 A312 V316 R317 E318	K310-K314 PolarHBondContact O-N 3.02Å; E311-K314 WeakPolarHBondContact O-CB 3.33Å; E311-K314 PolarHBondContact O-N 3.5Å; A312-K314 VanDerWaalsContact C-N 3.3Å; A312-K314 PolarHBondContact O-N 3.42Å; K314-V316 VanDerWaalsContact C-N 3.29Å; K314-V316 PolarHBondContact O-N 3.45Å; K314-R317 PolarHBondContact O-N 3.25Å; K314-E318 WeakPolarHBondContact CE-OE1 3.37Å; K314-E318 IonicContact NZ-OE1 3.8Å; K314-E318 PolarHBondContact NZ-OE1 3.18Å; K314-E318 WeakPolarHBondContact O-CG 3.38Å; K314-E318 PolarHBondContact O-N 3.35Å
315	L	98.7	Very high	98.2	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-32.9	-179.6	-66.7	168	0	0	0	113	I272 L275 K276 L279 E311 A312 R319	I272-L315 HydrophobicContact CD1-CD1 4.4Å; I272-L315 HydrophobicContact CG2-CD1 3.85Å; L275-L315 HydrophobicContact CD2-CD1 4.2Å; K276-L315 HydrophobicContact CG-CD1 4Å; K276-L315 HydrophobicContact CG-CD2 4.33Å; L279-L315 HydrophobicContact CD1-CB 4.1Å; E311-L315 WeakPolarHBondContact O-CG 3.42Å; E311-L315 PolarHBondContact O-N 2.9Å; E311-L315 VanDerWaalsContact O-N 3.07Å; A312-L315 PolarHBondContact O-N 3.23Å; L315-R319 VanDerWaalsContact O-CG 3.32Å; L315-R319 WeakPolarHBondContact O-CG 3.49Å; L315-R319 PolarHBondContact O-N 2.74Å
316	V	98.7	Very high	98.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.5	-43.6	176.3	168	0	0	0	0	111.2	I287 F290 A312 F313 K314 R319 G320 G321	I287-V316 HydrophobicContact CD1-CG1 4.28Å; I287-V316 HydrophobicContact CD1-CG2 4.45Å; F290-V316 HydrophobicContact CB-CB 4.17Å; F290-V316 HydrophobicContact CB-CG1 3.77Å; F290-V316 HydrophobicContact CB-CG2 3.42Å; F290-V316 VanDerWaalsContact CB-CG2 3.42Å; F290-V316 HydrophobicContact CD1-CG2 4.48Å; F290-V316 HydrophobicContact CD2-CG2 4.14Å; F290-V316 HydrophobicContact CG-CG2 3.8Å; A312-V316 VanDerWaalsContact O-CG2 3.23Å; A312-V316 WeakPolarHBondContact O-CG2 3.16Å; A312-V316 PolarHBondContact O-N 3.47Å; F313-V316 PolarHBondContact O-N 3.3Å; K314-V316 VanDerWaalsContact C-N 3.29Å; K314-V316 PolarHBondContact O-N 3.45Å; V316-R319 CarbonylContact O-C 3.08Å; V316-R319 WeakPolarHBondContact O-CA 3.4Å; V316-R319 WeakPolarHBondContact O-CB 3.49Å; V316-R319 PolarHBondContact O-N 3.39Å; V316-G320 PolarHBondContact O-N 3.34Å; V316-G321 PolarHBondContact O-N 3.2Å
317	R	98.6	Very high	98.4	Very high	102 Å²	102	35.9 Å²	35.9	39%	0.385	17%	0.173	S	C	.	.	H	α-helix	trans	-68	-35.7	176	-70.9	172.3	176.5	145.9	-9.9	112.4	F313 K314 R319 G320 G321 I348 D350	F313-R317 WeakPolarHBondContact O-CG 3.37Å; F313-R317 PolarHBondContact O-N 3.29Å; F313-R317 VanDerWaalsContact O-N 3.08Å; K314-R317 PolarHBondContact O-N 3.25Å; R317-R319 PolarHBondContact O-N 2.91Å; R317-R319 VanDerWaalsContact O-N 3.16Å; R317-G320 PolarHBondContact O-N 3.25Å; R317-G321 WeakPolarHBondContact CA-O 3.32Å; R317-I348 PolarHBondContact NH2-O 3.06Å; R317-D350 IonicContact CZ-OD1 2.76Å; R317-D350 IonicContact CZ-OD2 2.74Å; R317-D350 IonicContact NE-OD1 2.72Å; R317-D350 PolarHBondContact NE-OD1 2.96Å; R317-D350 IonicContact NE-OD2 3.15Å; R317-D350 PolarHBondContact NE-OD2 3.3Å; R317-D350 VanDerWaalsContact NE-OD2 3.1Å; R317-D350 IonicContact NH2-OD1 3.13Å; R317-D350 PolarHBondContact NH2-OD1 2.88Å; R317-D350 IonicContact NH2-OD2 2.64Å; R317-D350 PolarHBondContact NH2-OD2 2.68Å
318	E	98.3	Very high	98.6	Very high	115 Å²	115	33 Å²	33	54%	0.537	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.3	169	-74	171	-171.2	0	0	112.9	K314	K314-E318 WeakPolarHBondContact CE-OE1 3.37Å; K314-E318 IonicContact NZ-OE1 3.8Å; K314-E318 PolarHBondContact NZ-OE1 3.18Å; K314-E318 WeakPolarHBondContact O-CG 3.38Å; K314-E318 PolarHBondContact O-N 3.35Å
319	R	98.2	Very high	98.6	Very high	70 Å²	70	33.5 Å²	33.5	26%	0.264	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	10.3	174.6	-65.6	-70.5	-170	122.5	6.2	113.6	L279 P285 R286 I287 L315 V316 R317 G321	L279-R319 HydrophobicContact CD2-CG 4.3Å; L279-R319 VanDerWaalsContact O-CZ 3.22Å; L279-R319 PolarHBondContact O-NH1 2.56Å; L279-R319 PolarHBondContact O-NH2 3Å; P285-R319 WeakPolarHBondContact O-CD 3.47Å; P285-R319 PolarHBondContact O-NH1 3.04Å; R286-R319 VanDerWaalsContact CA-O 3.27Å; R286-R319 WeakPolarHBondContact CA-O 3.18Å; R286-R319 WeakPolarHBondContact CB-O 3.46Å; I287-R319 HydrophobicContact CG1-CB 4.23Å; I287-R319 PolarHBondContact N-O 2.89Å; L315-R319 VanDerWaalsContact O-CG 3.32Å; L315-R319 WeakPolarHBondContact O-CG 3.49Å; L315-R319 PolarHBondContact O-N 2.74Å; V316-R319 CarbonylContact O-C 3.08Å; V316-R319 WeakPolarHBondContact O-CA 3.4Å; V316-R319 WeakPolarHBondContact O-CB 3.49Å; V316-R319 PolarHBondContact O-N 3.39Å; R317-R319 PolarHBondContact O-N 2.91Å; R317-R319 VanDerWaalsContact O-N 3.16Å; R319-G321 PolarHBondContact O-N 2.9Å
320	G	98	Very high	98.6	Very high	42 Å²	42	33.4 Å²	33.4	43%	0.433	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	14.1	-178.5	0	0	0	0	0	114.6	V316 R317	V316-G320 PolarHBondContact O-N 3.34Å; R317-G320 PolarHBondContact O-N 3.25Å
321	G	98.7	Very high	98.6	Very high	3 Å²	3	29 Å²	29	3%	0.031	14%	0.141	C	C	.	.			trans	-93.6	161.3	173.6	0	0	0	0	0	112.1	I287 A288 V316 R317 R319	I287-G321 WeakPolarHBondContact O-CA 3.46Å; A288-G321 WeakPolarHBondContact O-CA 3.39Å; V316-G321 PolarHBondContact O-N 3.2Å; R317-G321 WeakPolarHBondContact CA-O 3.32Å; R319-G321 PolarHBondContact O-N 2.9Å
322	I	98.8	Very high	98.6	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.051	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	153.4	176.8	60.6	166.3	0	0	0	112.9	A187 Y190 T191 A288 A289 F290 D350 M351 I373	A187-I322 HydrophobicContact CB-CD1 3.78Å; A187-I322 HydrophobicContact CB-CG1 3.96Å; Y190-I322 HydrophobicContact CD1-CD1 4.48Å; Y190-I322 HydrophobicContact CD1-CG2 3.9Å; Y190-I322 HydrophobicContact CE1-CG2 3.72Å; T191-I322 HydrophobicContact CG2-CG1 4.46Å; T191-I322 HydrophobicContact CG2-CG2 4.22Å; A288-I322 WeakPolarHBondContact O-CG1 3.48Å; A288-I322 PolarHBondContact O-N 3.01Å; A289-I322 CarbonylContact C-O 3.5Å; A289-I322 WeakPolarHBondContact CA-O 3.28Å; A289-I322 HydrophobicContact CB-CG1 4.14Å; A289-I322 WeakPolarHBondContact CB-O 3.4Å; F290-I322 PolarHBondContact N-O 2.74Å; I322-D350 WeakPolarHBondContact CA-OD2 3.48Å; I322-D350 HydrophobicContact CB-CB 3.81Å; I322-D350 HydrophobicContact CG2-CB 4.21Å; I322-M351 HydrophobicContact CD1-CE 3.57Å; I322-M351 HydrophobicContact CD1-CG 4.42Å; I322-M351 HydrophobicContact CD1-SD 4.41Å; I322-I373 HydrophobicContact CD1-CD1 4.03Å; I322-I373 HydrophobicContact CG2-CD1 4.41Å
323	C	98.9	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.3	-173.9	-55.3	0	0	0	0	110.5	F313 P349 D350 M351	F313-C323 WeakPolarHBondContact CA-SG 3.27Å; F313-C323 HydrophobicContact CB-CB 4.19Å; F313-C323 VanDerWaalsContact CB-SG 3.51Å; F313-C323 HydrophobicContact CD1-CB 3.74Å; F313-C323 HydrophobicContact CD2-CB 3.53Å; F313-C323 HydrophobicContact CE1-CB 3.91Å; F313-C323 HydrophobicContact CE2-CB 3.72Å; F313-C323 HydrophobicContact CG-CB 3.55Å; F313-C323 VanDerWaalsContact CG-SG 3.53Å; F313-C323 HydrophobicContact CZ-CB 3.9Å; F313-C323 PolarHBondContact O-SG 3Å; C323-P349 WeakPolarHBondContact O-CB 3.44Å; C323-D350 PolarHBondContact N-OD2 2.71Å; C323-D350 PolarHBondContact O-N 2.96Å; C323-M351 PolarHBondContact O-N 3Å
324	I	98.9	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.4	-172.2	-53.4	173.2	0	0	0	109.3	A183 A187 A289 F290 F291 A292 M351 T353	A183-I324 HydrophobicContact CB-CG2 4.45Å; A187-I324 HydrophobicContact CB-CD1 4.14Å; A289-I324 HydrophobicContact CB-CD1 3.56Å; A289-I324 HydrophobicContact CB-CG1 4.22Å; F290-I324 PolarHBondContact O-N 3.28Å; F291-I324 HydrophobicContact CD1-CB 4.23Å; F291-I324 HydrophobicContact CD1-CG2 3.89Å; F291-I324 HydrophobicContact CD2-CB 4.21Å; F291-I324 HydrophobicContact CD2-CD1 3.76Å; F291-I324 HydrophobicContact CE1-CB 4.29Å; F291-I324 HydrophobicContact CE1-CG2 3.59Å; F291-I324 HydrophobicContact CE2-CB 4.31Å; F291-I324 HydrophobicContact CE2-CD1 3.3Å; F291-I324 HydrophobicContact CE2-CG1 4.36Å; F291-I324 HydrophobicContact CE2-CG2 4.29Å; F291-I324 HydrophobicContact CG-CB 4.21Å; F291-I324 HydrophobicContact CG-CG2 4.36Å; F291-I324 HydrophobicContact CZ-CB 4.35Å; F291-I324 HydrophobicContact CZ-CD1 3.74Å; F291-I324 HydrophobicContact CZ-CG2 3.84Å; A292-I324 PolarHBondContact N-O 2.82Å; I324-M351 WeakPolarHBondContact CA-O 3.25Å; I324-M351 HydrophobicContact CD1-CE 3.41Å; I324-M351 VanDerWaalsContact CD1-CE 3.41Å; I324-M351 HydrophobicContact CG1-CB 4.21Å; I324-M351 HydrophobicContact CG1-CE 3.85Å; I324-M351 HydrophobicContact CG2-CB 4.19Å; I324-T353 HydrophobicContact CG2-CG2 4.19Å
325	A	98.9	Very high	98.5	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.017	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.5	174	0	0	0	0	0	110	A292 E327 F342 P349 M351 V352 T353	A292-A325 WeakPolarHBondContact O-CA 3.42Å; A325-E327 HydrophobicContact CB-CG 4.42Å; A325-E327 PolarHBondContact O-N 3.28Å; A325-F342 HydrophobicContact CB-CB 4Å; A325-F342 HydrophobicContact CB-CD1 3.97Å; A325-F342 HydrophobicContact CB-CG 4.33Å; A325-P349 HydrophobicContact CB-CB 3.95Å; A325-P349 HydrophobicContact CB-CG 3.8Å; A325-M351 PolarHBondContact N-O 3.4Å; A325-V352 WeakPolarHBondContact O-CA 3.34Å; A325-T353 PolarHBondContact O-N 3.45Å
326	D	98.9	Very high	98.5	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.032	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	94.2	170.1	-172.4	-31.1	0	0	0	109.3	N180 H204 A292 E293 P294 V328 T353	N180-D326 PolarHBondContact ND2-OD2 3.07Å; H204-D326 IonicContact CE1-OD2 2.75Å; H204-D326 IonicContact CG-OD2 2.69Å; H204-D326 IonicContact ND1-OD2 3.73Å; H204-D326 PolarHBondContact ND1-OD2 3.39Å; A292-D326 PolarHBondContact O-N 3.28Å; E293-D326 HydrophobicContact CG-CB 4.25Å; P294-D326 WeakPolarHBondContact CD-O 3.4Å; D326-V328 VanDerWaalsContact C-N 3.29Å; D326-V328 WeakPolarHBondContact OD1-CB 3.11Å; D326-V328 WeakPolarHBondContact OD1-CG2 3.2Å; D326-V328 PolarHBondContact OD1-N 3.22Å; D326-T353 WeakPolarHBondContact CA-OG1 3.23Å
327	E	98.8	Very high	98.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.115	C	C	.	.			trans	-87.9	9	178.1	-69.4	-69.8	171.2	0	0	112.8	P294 A325 Q329 T330 G331 W340 G341 F342 V352 T353	P294-E327 VanDerWaalsContact CG-OE1 3.25Å; P294-E327 WeakPolarHBondContact CG-OE1 3.47Å; A325-E327 HydrophobicContact CB-CG 4.42Å; A325-E327 PolarHBondContact O-N 3.28Å; E327-Q329 PolarHBondContact O-N 3.5Å; E327-T330 PolarHBondContact O-N 2.86Å; E327-T330 VanDerWaalsContact OE2-CB 3.25Å; E327-T330 WeakPolarHBondContact OE2-CB 3.33Å; E327-T330 PolarHBondContact OE2-OG1 3.48Å; E327-G331 PolarHBondContact O-N 2.62Å; E327-G331 WeakPolarHBondContact OE2-CA 3.42Å; E327-G331 PolarHBondContact OE2-N 2.98Å; E327-W340 HydrophobicContact CB-CE3 3.84Å; E327-W340 HydrophobicContact CB-CZ3 4.19Å; E327-W340 HydrophobicContact CG-CB 4.39Å; E327-W340 HydrophobicContact CG-CE3 3.83Å; E327-G341 WeakPolarHBondContact OE1-CA 3.42Å; E327-G341 PolarHBondContact OE1-N 3.22Å; E327-G341 PolarHBondContact OE2-N 3.39Å; E327-F342 HydrophobicContact CG-CD1 4.06Å; E327-F342 WeakPolarHBondContact OE1-CD1 3.44Å; E327-F342 PolarHBondContact OE1-N 3.03Å; E327-V352 HydrophobicContact CB-CG1 3.85Å; E327-V352 HydrophobicContact CG-CG1 3.49Å; E327-V352 VanDerWaalsContact CG-CG1 3.49Å; E327-T353 CarbonylContact C-O 3.52Å; E327-T353 WeakPolarHBondContact CA-O 3.24Å; E327-T353 WeakPolarHBondContact CB-O 3.03Å; E327-T353 PolarHBondContact N-O 2.98Å
328	V	98.8	Very high	98.4	Very high	12 Å²	12	19.7 Å²	19.7	7%	0.073	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.2	-176	173.7	0	0	0	0	112.5	D326 T353 A355 K356	D326-V328 VanDerWaalsContact C-N 3.29Å; D326-V328 WeakPolarHBondContact OD1-CB 3.11Å; D326-V328 WeakPolarHBondContact OD1-CG2 3.2Å; D326-V328 PolarHBondContact OD1-N 3.22Å; V328-T353 PolarHBondContact N-O 2.83Å; V328-A355 HydrophobicContact CG1-CB 4.02Å; V328-A355 HydrophobicContact CG2-CB 4.29Å; V328-K356 HydrophobicContact CG1-CB 4.5Å; V328-K356 HydrophobicContact CG1-CD 4.2Å; V328-K356 HydrophobicContact CG1-CG 3.9Å; V328-K356 WeakPolarHBondContact O-CB 3.3Å; V328-K356 WeakPolarHBondContact O-CD 3.48Å
329	Q	98.3	Very high	98.4	Very high	12 Å²	12	15 Å²	15	6%	0.056	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-26.9	170.4	-81.9	173.3	97.1	0	0	114.6	E327 R334 K356 Q442	E327-Q329 PolarHBondContact O-N 3.5Å; Q329-R334 WeakPolarHBondContact O-CG 3.44Å; Q329-K356 HydrophobicContact CG-CD 4.03Å; Q329-Q442 PolarHBondContact O-OE1 2.96Å
330	T	98.2	Very high	98.4	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-14.1	-170.4	45	0	0	0	0	115.2	P294 L295 E327 T335 Q442	P294-T330 HydrophobicContact CB-CG2 4.37Å; P294-T330 WeakPolarHBondContact CD-OG1 3.32Å; P294-T330 WeakPolarHBondContact CG-OG1 3.14Å; L295-T330 HydrophobicContact CB-CG2 3.92Å; E327-T330 PolarHBondContact O-N 2.86Å; E327-T330 VanDerWaalsContact OE2-CB 3.25Å; E327-T330 WeakPolarHBondContact OE2-CB 3.33Å; E327-T330 PolarHBondContact OE2-OG1 3.48Å; T330-T335 HydrophobicContact CG2-CG2 4.17Å; T330-Q442 VanDerWaalsContact CA-OE1 3.31Å
331	G	98.3	Very high	98.4	Very high	5 Å²	5	9.9 Å²	9.9	5%	0.052	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-173.6	-176.8	0	0	0	0	0	114.4	E327 G333 R334 F339	E327-G331 PolarHBondContact O-N 2.62Å; E327-G331 WeakPolarHBondContact OE2-CA 3.42Å; E327-G331 PolarHBondContact OE2-N 2.98Å; G331-G333 VanDerWaalsContact C-N 3.3Å; G331-G333 PolarHBondContact O-N 2.88Å; G331-R334 VanDerWaalsContact O-CB 3.23Å; G331-R334 WeakPolarHBondContact O-CB 3.25Å; G331-R334 PolarHBondContact O-N 2.9Å; G331-F339 CarbonylContact C-O 3.41Å
332	F	98.6	Very high	98.4	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.018	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	40.3	176.5	-58.7	-81.9	0	0	0	113.9	L159 R334 F339 W340 M354 I358 L400 I403 M492	L159-F332 HydrophobicContact CD1-CE1 4.25Å; L159-F332 HydrophobicContact CD1-CZ 4.42Å; F332-R334 VanDerWaalsContact C-N 3.26Å; F332-R334 PolarHBondContact O-N 2.7Å; F332-F339 AromaticContact CD1-CE1 3.98Å; F332-F339 HydrophobicContact CD1-CE1 3.98Å; F332-F339 HydrophobicContact CD1-CZ 4.03Å; F332-F339 PolarHBondContact N-O 3.21Å; F332-W340 HydrophobicContact CD1-CH2 4.42Å; F332-W340 HydrophobicContact CD2-CH2 4.42Å; F332-W340 HydrophobicContact CD2-CZ3 4.13Å; F332-W340 AromaticContact CE1-CH2 3.97Å; F332-W340 HydrophobicContact CE1-CH2 3.97Å; F332-W340 AromaticContact CE2-CH2 3.98Å; F332-W340 HydrophobicContact CE2-CH2 3.98Å; F332-W340 AromaticContact CE2-CZ3 3.88Å; F332-W340 HydrophobicContact CE2-CZ3 3.88Å; F332-W340 AromaticContact CZ-CH2 3.71Å; F332-W340 HydrophobicContact CZ-CH2 3.71Å; F332-W340 HydrophobicContact CZ-CZ3 4.12Å; F332-M354 HydrophobicContact CE2-CB 4.1Å; F332-M354 HydrophobicContact CE2-SD 4.31Å; F332-M354 HydrophobicContact CZ-SD 3.87Å; F332-I358 HydrophobicContact CE1-CB 4.22Å; F332-I358 HydrophobicContact CE1-CG1 4.09Å; F332-I358 HydrophobicContact CE2-CB 3.63Å; F332-I358 HydrophobicContact CE2-CG1 4.17Å; F332-I358 HydrophobicContact CZ-CB 3.47Å; F332-I358 VanDerWaalsContact CZ-CB 3.47Å; F332-I358 HydrophobicContact CZ-CD1 3.91Å; F332-I358 HydrophobicContact CZ-CG1 3.48Å; F332-I358 VanDerWaalsContact CZ-CG1 3.48Å; F332-L400 HydrophobicContact CD1-CD2 3.88Å; F332-L400 HydrophobicContact CE1-CD2 3.87Å; F332-I403 HydrophobicContact CB-CD1 3.89Å; F332-I403 HydrophobicContact CD1-CD1 4.25Å; F332-M492 WeakPolarHBondContact O-CE 3.36Å
333	G	98.3	Very high	98.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	0.5	176	0	0	0	0	0	115.5	G331 T335 G336 F339	G331-G333 VanDerWaalsContact C-N 3.3Å; G331-G333 PolarHBondContact O-N 2.88Å; G333-T335 VanDerWaalsContact C-N 3.26Å; G333-T335 PolarHBondContact O-N 3.44Å; G333-T335 VanDerWaalsContact O-N 3.15Å; G333-G336 WeakPolarHBondContact O-CA 3.36Å; G333-G336 PolarHBondContact O-N 3.49Å; G333-F339 PolarHBondContact N-O 2.8Å
334	R	98.5	Very high	98.3	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.015	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.5	-175.9	173.7	56.7	56.5	175.6	0.5	114.3	Q329 G331 F332 G336 L441 Q442 P490 M492	Q329-R334 WeakPolarHBondContact O-CG 3.44Å; G331-R334 VanDerWaalsContact O-CB 3.23Å; G331-R334 WeakPolarHBondContact O-CB 3.25Å; G331-R334 PolarHBondContact O-N 2.9Å; F332-R334 VanDerWaalsContact C-N 3.26Å; F332-R334 PolarHBondContact O-N 2.7Å; R334-G336 PolarHBondContact O-N 3.16Å; R334-L441 WeakPolarHBondContact CD-O 3.4Å; R334-L441 PolarHBondContact NH1-O 2.76Å; R334-L441 PolarHBondContact O-N 3.4Å; R334-L441 VanDerWaalsContact O-N 3.07Å; R334-Q442 HydrophobicContact CG-CB 4Å; R334-P490 PolarHBondContact NH1-O 2.81Å; R334-P490 PolarHBondContact NH2-O 3.34Å; R334-M492 HydrophobicContact CB-SD 4.42Å; R334-M492 VanDerWaalsContact CZ-CG 3.46Å; R334-M492 VanDerWaalsContact NH2-CG 3.3Å
335	T	97.9	Very high	98.2	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.031	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.1	179.7	63.6	0	0	0	0	113.6	T330 G333 S337 K439 G440	T330-T335 HydrophobicContact CG2-CG2 4.17Å; G333-T335 VanDerWaalsContact C-N 3.26Å; G333-T335 PolarHBondContact O-N 3.44Å; G333-T335 VanDerWaalsContact O-N 3.15Å; T335-S337 VanDerWaalsContact C-N 3.29Å; T335-S337 PolarHBondContact O-N 3.39Å; T335-K439 HydrophobicContact CG2-CB 4.27Å; T335-G440 PolarHBondContact O-N 3.46Å
336	G	98	Very high	98.1	Very high	3 Å²	3	19.6 Å²	19.6	3%	0.031	11%	0.109	C	C	.	.	S	Bend	trans	76.6	-66.6	173.9	0	0	0	0	0	113.7	G333 R334 H338 Q409	G333-G336 WeakPolarHBondContact O-CA 3.36Å; G333-G336 PolarHBondContact O-N 3.49Å; R334-G336 PolarHBondContact O-N 3.16Å; G336-H338 PolarHBondContact O-N 3.26Å; G336-H338 VanDerWaalsContact O-N 3.12Å; G336-Q409 WeakPolarHBondContact CA-O 3.46Å; G336-Q409 WeakPolarHBondContact O-CG 3.32Å; G336-Q409 PolarHBondContact O-NE2 2.66Å
337	S	97.1	Very high	98.1	Very high	53 Å²	53	20 Å²	20	37%	0.371	11%	0.112	S	C	.	.	S	Bend	trans	-58.6	-27.6	-175.3	58	0	0	0	0	114.7	T335	T335-S337 VanDerWaalsContact C-N 3.29Å; T335-S337 PolarHBondContact O-N 3.39Å
338	H	98.1	Very high	98.1	Very high	66 Å²	66	23.5 Å²	23.5	31%	0.306	13%	0.13	S	C	.	.	S	Bend	trans	-142.8	159.2	-173.8	-66	87.5	0	0	0	110.7	G336 W340 Q343 Q409	G336-H338 PolarHBondContact O-N 3.26Å; G336-H338 VanDerWaalsContact O-N 3.12Å; H338-W340 WeakPolarHBondContact CB-O 3.3Å; H338-Q343 HydrophobicContact CB-CB 3.86Å; H338-Q343 VanDerWaalsContact CD2-CB 3.42Å; H338-Q343 WeakPolarHBondContact CD2-CB 3.48Å; H338-Q409 VanDerWaalsContact C-NE2 3.31Å
339	F	98.4	Very high	98.1	Very high	15 Å²	15	23 Å²	23	7%	0.066	13%	0.127	C	C	.	.	S	Bend	trans	-74	-35.9	177.2	-159.9	-88.4	0	0	0	111.6	Y162 G331 F332 G333 L400 I403	Y162-F339 HydrophobicContact CD1-CD1 4.39Å; Y162-F339 AromaticContact CD1-CD2 3.99Å; Y162-F339 HydrophobicContact CD1-CD2 3.99Å; Y162-F339 HydrophobicContact CD1-CE1 4.22Å; Y162-F339 AromaticContact CD1-CE2 3.81Å; Y162-F339 HydrophobicContact CD1-CE2 3.81Å; Y162-F339 HydrophobicContact CD1-CG 4.27Å; Y162-F339 AromaticContact CD1-CZ 3.93Å; Y162-F339 HydrophobicContact CD1-CZ 3.93Å; Y162-F339 HydrophobicContact CE1-CD2 4.48Å; Y162-F339 HydrophobicContact CE1-CE2 4.09Å; Y162-F339 HydrophobicContact CE1-CZ 4.43Å; Y162-F339 HydrophobicContact CG-CD1 4.49Å; Y162-F339 HydrophobicContact CG-CE1 4.12Å; Y162-F339 HydrophobicContact CG-CE2 4.44Å; Y162-F339 HydrophobicContact CG-CZ 4.1Å; G331-F339 CarbonylContact C-O 3.41Å; F332-F339 AromaticContact CD1-CE1 3.98Å; F332-F339 HydrophobicContact CD1-CE1 3.98Å; F332-F339 HydrophobicContact CD1-CZ 4.03Å; F332-F339 PolarHBondContact N-O 3.21Å; G333-F339 PolarHBondContact N-O 2.8Å; F339-L400 HydrophobicContact CE1-CD2 4.31Å; F339-L400 HydrophobicContact CZ-CD2 3.66Å; F339-I403 HydrophobicContact CE2-CG2 4.04Å
340	W	98.8	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-116.9	139.1	173.1	-51.5	103.5	0	0	0	111.1	L159 Y162 L163 E327 F332 H338 F342 Q343 M354	L159-W340 HydrophobicContact CD1-CH2 4.16Å; L159-W340 HydrophobicContact CD1-CZ2 4.16Å; Y162-W340 PolarHBondContact O-NE1 2.87Å; L163-W340 HydrophobicContact CD1-CZ2 3.72Å; L163-W340 HydrophobicContact CG-CZ2 4.13Å; E327-W340 HydrophobicContact CB-CE3 3.84Å; E327-W340 HydrophobicContact CB-CZ3 4.19Å; E327-W340 HydrophobicContact CG-CB 4.39Å; E327-W340 HydrophobicContact CG-CE3 3.83Å; F332-W340 HydrophobicContact CD1-CH2 4.42Å; F332-W340 HydrophobicContact CD2-CH2 4.42Å; F332-W340 HydrophobicContact CD2-CZ3 4.13Å; F332-W340 AromaticContact CE1-CH2 3.97Å; F332-W340 HydrophobicContact CE1-CH2 3.97Å; F332-W340 AromaticContact CE2-CH2 3.98Å; F332-W340 HydrophobicContact CE2-CH2 3.98Å; F332-W340 AromaticContact CE2-CZ3 3.88Å; F332-W340 HydrophobicContact CE2-CZ3 3.88Å; F332-W340 AromaticContact CZ-CH2 3.71Å; F332-W340 HydrophobicContact CZ-CH2 3.71Å; F332-W340 HydrophobicContact CZ-CZ3 4.12Å; H338-W340 WeakPolarHBondContact CB-O 3.3Å; W340-F342 VanDerWaalsContact C-N 3.27Å; W340-F342 HydrophobicContact CB-CD1 3.63Å; W340-F342 HydrophobicContact CB-CE1 3.37Å; W340-F342 HydrophobicContact CB-CG 4.32Å; W340-F342 HydrophobicContact CB-CZ 3.92Å; W340-F342 HydrophobicContact CD2-CE1 4.47Å; W340-F342 HydrophobicContact CG-CD1 4.37Å; W340-F342 AromaticContact CG-CE1 3.67Å; W340-F342 HydrophobicContact CG-CE1 3.67Å; W340-F342 HydrophobicContact CG-CZ 4.12Å; W340-F342 PolarHBondContact O-N 2.97Å; W340-Q343 HydrophobicContact CB-CG 4.21Å; W340-Q343 WeakPolarHBondContact O-CB 3.37Å; W340-Q343 PolarHBondContact O-N 3.08Å; W340-M354 HydrophobicContact CE3-CE 4.45Å; W340-M354 HydrophobicContact CH2-CE 3.39Å; W340-M354 HydrophobicContact CH2-SD 3.59Å; W340-M354 VanDerWaalsContact CH2-SD 3.59Å; W340-M354 HydrophobicContact CZ2-CE 4Å; W340-M354 HydrophobicContact CZ3-CB 4.39Å; W340-M354 HydrophobicContact CZ3-CE 3.66Å; W340-M354 HydrophobicContact CZ3-SD 4.04Å
341	G	98.3	Very high	98.1	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.7	-179.1	0	0	0	0	0	114.2	E327 Q343 G344 H345	E327-G341 WeakPolarHBondContact OE1-CA 3.42Å; E327-G341 PolarHBondContact OE1-N 3.22Å; E327-G341 PolarHBondContact OE2-N 3.39Å; G341-Q343 PolarHBondContact O-N 3.28Å; G341-G344 PolarHBondContact O-N 3.43Å; G341-H345 PolarHBondContact O-CD2 2.84Å
342	F	98.6	Very high	98.2	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.4	178.4	72.5	-111.2	0	0	0	112.5	P164 L167 P294 A325 E327 W340 G344 H345 V347 P349 V352	P164-F342 HydrophobicContact CG-CE2 4Å; P164-F342 HydrophobicContact CG-CZ 3.98Å; L167-F342 HydrophobicContact CD1-CZ 4.38Å; P294-F342 HydrophobicContact CG-CB 4.31Å; A325-F342 HydrophobicContact CB-CB 4Å; A325-F342 HydrophobicContact CB-CD1 3.97Å; A325-F342 HydrophobicContact CB-CG 4.33Å; E327-F342 HydrophobicContact CG-CD1 4.06Å; E327-F342 WeakPolarHBondContact OE1-CD1 3.44Å; E327-F342 PolarHBondContact OE1-N 3.03Å; W340-F342 VanDerWaalsContact C-N 3.27Å; W340-F342 HydrophobicContact CB-CD1 3.63Å; W340-F342 HydrophobicContact CB-CE1 3.37Å; W340-F342 HydrophobicContact CB-CG 4.32Å; W340-F342 HydrophobicContact CB-CZ 3.92Å; W340-F342 HydrophobicContact CD2-CE1 4.47Å; W340-F342 HydrophobicContact CG-CD1 4.37Å; W340-F342 AromaticContact CG-CE1 3.67Å; W340-F342 HydrophobicContact CG-CE1 3.67Å; W340-F342 HydrophobicContact CG-CZ 4.12Å; W340-F342 PolarHBondContact O-N 2.97Å; F342-G344 PolarHBondContact O-N 2.9Å; F342-H345 PolarHBondContact O-N 3.2Å; F342-H345 VanDerWaalsContact O-N 3.09Å; F342-V347 HydrophobicContact CB-CG2 4.16Å; F342-V347 VanDerWaalsContact CD2-O 3.25Å; F342-V347 WeakPolarHBondContact CD2-O 3.12Å; F342-V347 WeakPolarHBondContact O-CG2 3.43Å; F342-P349 HydrophobicContact CD1-CG 3.96Å; F342-P349 HydrophobicContact CD2-CG 4.32Å; F342-P349 HydrophobicContact CE1-CG 4.14Å; F342-P349 HydrophobicContact CE2-CG 4.47Å; F342-P349 HydrophobicContact CG-CG 4.1Å; F342-P349 HydrophobicContact CZ-CG 4.4Å; F342-V352 HydrophobicContact CD1-CG2 4.11Å; F342-V352 HydrophobicContact CE1-CG1 4.41Å; F342-V352 HydrophobicContact CE1-CG2 3.58Å; F342-V352 HydrophobicContact CZ-CG2 4.35Å
343	Q	98.3	Very high	98.2	Very high	52 Å²	52	23.3 Å²	23.3	24%	0.243	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-64.1	-36	179.1	-60.1	175.8	-73.9	0	0	110.4	H338 W340 G341 H345 D346	H338-Q343 HydrophobicContact CB-CB 3.86Å; H338-Q343 VanDerWaalsContact CD2-CB 3.42Å; H338-Q343 WeakPolarHBondContact CD2-CB 3.48Å; W340-Q343 HydrophobicContact CB-CG 4.21Å; W340-Q343 WeakPolarHBondContact O-CB 3.37Å; W340-Q343 PolarHBondContact O-N 3.08Å; G341-Q343 PolarHBondContact O-N 3.28Å; Q343-H345 PolarHBondContact O-N 3.37Å; Q343-D346 PolarHBondContact O-N 3.36Å
344	G	96.7	Very high	98.2	Very high	13 Å²	13	23.3 Å²	23.3	13%	0.134	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-70	13.2	173.8	0	0	0	0	0	115.7	G341 F342 K439	G341-G344 PolarHBondContact O-N 3.43Å; F342-G344 PolarHBondContact O-N 2.9Å; G344-K439 PolarHBondContact O-NZ 3.05Å
345	H	97.3	Very high	98.2	Very high	36 Å²	36	23.4 Å²	23.4	17%	0.167	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-124.8	8.1	169.7	-69.4	-95.8	0	0	0	113	P294 Y304 L309 G341 F342 Q343 V347	P294-H345 PolarHBondContact O-CE1 2.92Å; P294-H345 PolarHBondContact O-NE2 3.48Å; Y304-H345 AromaticContact CD2-CE1 3.82Å; L309-H345 HydrophobicContact CB-CB 4.33Å; L309-H345 HydrophobicContact CD1-CB 4.33Å; G341-H345 PolarHBondContact O-CD2 2.84Å; F342-H345 PolarHBondContact O-N 3.2Å; F342-H345 VanDerWaalsContact O-N 3.09Å; Q343-H345 PolarHBondContact O-N 3.37Å; H345-V347 VanDerWaalsContact C-N 3.33Å; H345-V347 HydrophobicContact CB-CG2 4.19Å; H345-V347 PolarHBondContact O-N 2.78Å
346	D	96.8	Very high	98.2	Very high	117 Å²	117	25.2 Å²	25.2	63%	0.626	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	42.5	-175.9	-55.4	-40.4	0	0	0	114.1	K310 Q343	K310-D346 HydrophobicContact CD-CB 4.45Å; Q343-D346 PolarHBondContact O-N 3.36Å
347	V	98.1	Very high	98.2	Very high	15 Å²	15	25.3 Å²	25.3	9%	0.091	14%	0.138	C	C	.	.			trans	-124.4	158.3	175.7	-63	0	0	0	0	111.7	K310 F313 F342 H345	K310-V347 VanDerWaalsContact CA-CG1 3.46Å; K310-V347 HydrophobicContact CB-CG1 3.8Å; K310-V347 HydrophobicContact CG-CG1 4.18Å; F313-V347 HydrophobicContact CD2-CB 3.93Å; F313-V347 HydrophobicContact CD2-CG1 4.14Å; F313-V347 HydrophobicContact CD2-CG2 4.15Å; F313-V347 HydrophobicContact CE2-CB 4.05Å; F313-V347 HydrophobicContact CE2-CG2 3.76Å; F342-V347 HydrophobicContact CB-CG2 4.16Å; F342-V347 VanDerWaalsContact CD2-O 3.25Å; F342-V347 WeakPolarHBondContact CD2-O 3.12Å; F342-V347 WeakPolarHBondContact O-CG2 3.43Å; H345-V347 VanDerWaalsContact C-N 3.33Å; H345-V347 HydrophobicContact CB-CG2 4.19Å; H345-V347 PolarHBondContact O-N 2.78Å
348	I	98.5	Very high	98.3	Very high	74 Å²	74	22.8 Å²	22.8	38%	0.379	12%	0.12	S	C	.	.			trans	-121	120.4	162.2	-61.3	173.5	0	0	0	106.3	P164 L167 R317	P164-I348 HydrophobicContact CB-CD1 4.3Å; P164-I348 HydrophobicContact CG-CD1 4.48Å; P164-I348 HydrophobicContact CG-CG1 4.3Å; P164-I348 HydrophobicContact CG-CG2 4.41Å; L167-I348 HydrophobicContact CD1-CG2 3.99Å; L167-I348 HydrophobicContact CG-CG2 4.48Å; R317-I348 PolarHBondContact NH2-O 3.06Å
349	P	98.8	Very high	98.3	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.013	11%	0.107	C	C	.	.			trans	-77.1	169.8	175	34.6	-36.2	0	0	0	110.9	L167 F313 C323 A325 F342 M351 V352	L167-P349 HydrophobicContact CD1-CG 4.1Å; F313-P349 HydrophobicContact CE2-CB 4Å; C323-P349 WeakPolarHBondContact O-CB 3.44Å; A325-P349 HydrophobicContact CB-CB 3.95Å; A325-P349 HydrophobicContact CB-CG 3.8Å; F342-P349 HydrophobicContact CD1-CG 3.96Å; F342-P349 HydrophobicContact CD2-CG 4.32Å; F342-P349 HydrophobicContact CE1-CG 4.14Å; F342-P349 HydrophobicContact CE2-CG 4.47Å; F342-P349 HydrophobicContact CG-CG 4.1Å; F342-P349 HydrophobicContact CZ-CG 4.4Å; P349-M351 WeakPolarHBondContact CB-O 3.41Å; P349-V352 HydrophobicContact CG-CG2 3.58Å
350	D	98.9	Very high	98.2	Very high	28 Å²	28	19.9 Å²	19.9	15%	0.15	11%	0.108	C	C	.	.	S	Bend	trans	-91.2	-23.4	176.8	-54.4	-52.4	0	0	0	111.5	R317 I322 C323 T369 I373	R317-D350 IonicContact CZ-OD1 2.76Å; R317-D350 IonicContact CZ-OD2 2.74Å; R317-D350 IonicContact NE-OD1 2.72Å; R317-D350 PolarHBondContact NE-OD1 2.96Å; R317-D350 IonicContact NE-OD2 3.15Å; R317-D350 PolarHBondContact NE-OD2 3.3Å; R317-D350 VanDerWaalsContact NE-OD2 3.1Å; R317-D350 IonicContact NH2-OD1 3.13Å; R317-D350 PolarHBondContact NH2-OD1 2.88Å; R317-D350 IonicContact NH2-OD2 2.64Å; R317-D350 PolarHBondContact NH2-OD2 2.68Å; I322-D350 WeakPolarHBondContact CA-OD2 3.48Å; I322-D350 HydrophobicContact CB-CB 3.81Å; I322-D350 HydrophobicContact CG2-CB 4.21Å; C323-D350 PolarHBondContact N-OD2 2.71Å; C323-D350 PolarHBondContact O-N 2.96Å; D350-T369 PolarHBondContact O-OG1 3.22Å; D350-T369 VanDerWaalsContact O-OG1 3.11Å; D350-I373 HydrophobicContact CB-CD1 3.87Å
351	M	98.9	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.1	165.4	-61.4	-166.7	-70.3	0	0	111.8	A183 M186 A187 I322 C323 I324 A325 P349 V367 V368 T369 I373	A183-M351 HydrophobicContact CB-CE 3.97Å; A183-M351 WeakPolarHBondContact O-CE 3.25Å; M186-M351 HydrophobicContact CB-CE 4.32Å; M186-M351 HydrophobicContact CB-SD 4.01Å; M186-M351 HydrophobicContact CE-SD 4.45Å; A187-M351 HydrophobicContact CB-CE 4.01Å; I322-M351 HydrophobicContact CD1-CE 3.57Å; I322-M351 HydrophobicContact CD1-CG 4.42Å; I322-M351 HydrophobicContact CD1-SD 4.41Å; C323-M351 PolarHBondContact O-N 3Å; I324-M351 WeakPolarHBondContact CA-O 3.25Å; I324-M351 HydrophobicContact CD1-CE 3.41Å; I324-M351 VanDerWaalsContact CD1-CE 3.41Å; I324-M351 HydrophobicContact CG1-CB 4.21Å; I324-M351 HydrophobicContact CG1-CE 3.85Å; I324-M351 HydrophobicContact CG2-CB 4.19Å; A325-M351 PolarHBondContact N-O 3.4Å; P349-M351 WeakPolarHBondContact CB-O 3.41Å; M351-V367 HydrophobicContact CB-CG1 4.41Å; M351-V367 HydrophobicContact SD-CG1 4.07Å; M351-V368 CarbonylContact C-O 3.28Å; M351-V368 WeakPolarHBondContact CA-O 3.32Å; M351-T369 VanDerWaalsContact CG-OG1 3.29Å; M351-T369 WeakPolarHBondContact CG-OG1 3.43Å; M351-I373 HydrophobicContact CG-CD1 4.45Å; M351-I373 HydrophobicContact CG-CG2 4.5Å; M351-I373 HydrophobicContact SD-CG2 3.97Å
352	V	98.9	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.4	171.7	-176.9	0	0	0	0	108.5	L163 L167 A325 E327 F342 P349 M354 V367 V368	L163-V352 HydrophobicContact CD2-CB 4.16Å; L163-V352 HydrophobicContact CD2-CG2 3.89Å; L167-V352 HydrophobicContact CD1-CG2 3.84Å; A325-V352 WeakPolarHBondContact O-CA 3.34Å; E327-V352 HydrophobicContact CB-CG1 3.85Å; E327-V352 HydrophobicContact CG-CG1 3.49Å; E327-V352 VanDerWaalsContact CG-CG1 3.49Å; F342-V352 HydrophobicContact CD1-CG2 4.11Å; F342-V352 HydrophobicContact CE1-CG1 4.41Å; F342-V352 HydrophobicContact CE1-CG2 3.58Å; F342-V352 HydrophobicContact CZ-CG2 4.35Å; P349-V352 HydrophobicContact CG-CG2 3.58Å; V352-M354 HydrophobicContact CB-CE 4.21Å; V352-M354 HydrophobicContact CG1-CE 3.62Å; V352-V367 CarbonylContact O-C 3.59Å; V352-V367 WeakPolarHBondContact O-CA 3.43Å; V352-V368 PolarHBondContact N-O 2.97Å; V352-V368 PolarHBondContact O-N 3.32Å
353	T	98.9	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.8	171.4	62.9	0	0	0	0	110.5	A179 N180 A183 I324 A325 D326 E327 V328 A366 V367	A179-T353 HydrophobicContact CB-CG2 4.5Å; N180-T353 WeakPolarHBondContact OD1-CB 3.38Å; N180-T353 VanDerWaalsContact OD1-CG2 3.31Å; N180-T353 WeakPolarHBondContact OD1-CG2 3.48Å; N180-T353 PolarHBondContact OD1-OG1 3.49Å; A183-T353 HydrophobicContact CB-CG2 3.43Å; A183-T353 VanDerWaalsContact CB-CG2 3.43Å; I324-T353 HydrophobicContact CG2-CG2 4.19Å; A325-T353 PolarHBondContact O-N 3.45Å; D326-T353 WeakPolarHBondContact CA-OG1 3.23Å; E327-T353 CarbonylContact C-O 3.52Å; E327-T353 WeakPolarHBondContact CA-O 3.24Å; E327-T353 WeakPolarHBondContact CB-O 3.03Å; E327-T353 PolarHBondContact N-O 2.98Å; V328-T353 PolarHBondContact N-O 2.83Å; T353-A366 WeakPolarHBondContact CA-O 3.48Å; T353-V367 HydrophobicContact CG2-CG2 4.24Å
354	M	98.8	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	154.1	-172.6	59.9	-173.4	71	0	0	111.6	L159 F332 W340 V352 I358 G365 A366 V368	L159-M354 HydrophobicContact CD1-SD 4.02Å; L159-M354 HydrophobicContact CD2-SD 3.93Å; L159-M354 HydrophobicContact CG-SD 4.49Å; F332-M354 HydrophobicContact CE2-CB 4.1Å; F332-M354 HydrophobicContact CE2-SD 4.31Å; F332-M354 HydrophobicContact CZ-SD 3.87Å; W340-M354 HydrophobicContact CE3-CE 4.45Å; W340-M354 HydrophobicContact CH2-CE 3.39Å; W340-M354 HydrophobicContact CH2-SD 3.59Å; W340-M354 VanDerWaalsContact CH2-SD 3.59Å; W340-M354 HydrophobicContact CZ2-CE 4Å; W340-M354 HydrophobicContact CZ3-CB 4.39Å; W340-M354 HydrophobicContact CZ3-CE 3.66Å; W340-M354 HydrophobicContact CZ3-SD 4.04Å; V352-M354 HydrophobicContact CB-CE 4.21Å; V352-M354 HydrophobicContact CG1-CE 3.62Å; M354-I358 HydrophobicContact CG-CD1 4.11Å; M354-I358 HydrophobicContact SD-CD1 4.18Å; M354-G365 CarbonylContact O-C 3.55Å; M354-G365 WeakPolarHBondContact O-CA 3.3Å; M354-A366 HydrophobicContact CG-CB 3.7Å; M354-A366 PolarHBondContact N-O 3.05Å; M354-A366 PolarHBondContact O-N 3.03Å; M354-A366 HydrophobicContact SD-CB 4.08Å; M354-V368 HydrophobicContact CE-CB 4.42Å; M354-V368 HydrophobicContact CE-CG2 3.64Å; M354-V368 HydrophobicContact SD-CG2 4.3Å
355	A	98.6	Very high	98.1	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.041	15%	0.153	C	C	.	.			trans	-164.9	-147.8	173.4	0	0	0	0	0	108.1	V328 G357 I358 M364	V328-A355 HydrophobicContact CG1-CB 4.02Å; V328-A355 HydrophobicContact CG2-CB 4.29Å; A355-G357 PolarHBondContact O-N 3.04Å; A355-I358 VanDerWaalsContact C-CG2 3.41Å; A355-I358 PolarHBondContact O-N 2.93Å; A355-M364 WeakPolarHBondContact CA-O 3.23Å; A355-M364 WeakPolarHBondContact CB-O 3.02Å
356	K	98.3	Very high	98.1	Very high	43 Å²	43	24.8 Å²	24.8	19%	0.187	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	55.7	-99.4	170.9	-74.5	-161.6	179.6	67.4	0	113	V117 T119 V328 Q329 I358 G359	V117-K356 WeakPolarHBondContact O-CD 3.45Å; V117-K356 WeakPolarHBondContact O-CE 3.42Å; T119-K356 CarbonylContact O-C 3.55Å; V328-K356 HydrophobicContact CG1-CB 4.5Å; V328-K356 HydrophobicContact CG1-CD 4.2Å; V328-K356 HydrophobicContact CG1-CG 3.9Å; V328-K356 WeakPolarHBondContact O-CB 3.3Å; V328-K356 WeakPolarHBondContact O-CD 3.48Å; Q329-K356 HydrophobicContact CG-CD 4.03Å; K356-I358 PolarHBondContact O-N 3.44Å; K356-I358 VanDerWaalsContact O-N 3.12Å; K356-G359 PolarHBondContact O-N 3.49Å
357	G	97.5	Very high	98.2	Very high	6 Å²	6	19.2 Å²	19.2	6%	0.062	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-58.1	-25.2	-178.2	0	0	0	0	0	113.6	A355 G359 N360 V399	A355-G357 PolarHBondContact O-N 3.04Å; G357-G359 PolarHBondContact O-N 3.11Å; G357-G359 VanDerWaalsContact O-N 3.12Å; G357-N360 PolarHBondContact O-N 3.21Å; G357-V399 WeakPolarHBondContact O-CG1 3.41Å
358	I	98.3	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-47.2	-40	176.6	-166.3	165	0	0	0	114.1	Y155 F332 M354 A355 K356 M364 A366 A396	Y155-I358 WeakPolarHBondContact OH-CD1 3.25Å; Y155-I358 WeakPolarHBondContact OH-CG1 3.34Å; F332-I358 HydrophobicContact CE1-CB 4.22Å; F332-I358 HydrophobicContact CE1-CG1 4.09Å; F332-I358 HydrophobicContact CE2-CB 3.63Å; F332-I358 HydrophobicContact CE2-CG1 4.17Å; F332-I358 HydrophobicContact CZ-CB 3.47Å; F332-I358 VanDerWaalsContact CZ-CB 3.47Å; F332-I358 HydrophobicContact CZ-CD1 3.91Å; F332-I358 HydrophobicContact CZ-CG1 3.48Å; F332-I358 VanDerWaalsContact CZ-CG1 3.48Å; M354-I358 HydrophobicContact CG-CD1 4.11Å; M354-I358 HydrophobicContact SD-CD1 4.18Å; A355-I358 VanDerWaalsContact C-CG2 3.41Å; A355-I358 PolarHBondContact O-N 2.93Å; K356-I358 PolarHBondContact O-N 3.44Å; K356-I358 VanDerWaalsContact O-N 3.12Å; I358-M364 HydrophobicContact CD1-CG 3.93Å; I358-M364 HydrophobicContact CD1-SD 3.61Å; I358-M364 HydrophobicContact CG1-CG 4.34Å; I358-M364 HydrophobicContact CG1-SD 3.79Å; I358-M364 HydrophobicContact CG2-CB 3.94Å; I358-M364 HydrophobicContact CG2-CG 4.24Å; I358-M364 WeakPolarHBondContact CG2-O 3.09Å; I358-A366 HydrophobicContact CD1-CB 4.23Å; I358-A396 HydrophobicContact CG1-CB 4.35Å; I358-A396 VanDerWaalsContact O-CA 3.29Å; I358-A396 WeakPolarHBondContact O-CA 3.31Å; I358-A396 VanDerWaalsContact O-CB 3.26Å; I358-A396 WeakPolarHBondContact O-CB 3.34Å
359	G	97.7	Very high	98.3	Very high	3 Å²	3	15 Å²	15	3%	0.031	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-120.5	8.6	-175.2	0	0	0	0	0	113.3	K356 G357 G361 F362 V395	K356-G359 PolarHBondContact O-N 3.49Å; G357-G359 PolarHBondContact O-N 3.11Å; G357-G359 VanDerWaalsContact O-N 3.12Å; G359-G361 PolarHBondContact O-N 2.83Å; G359-F362 WeakPolarHBondContact O-CB 3.33Å; G359-F362 PolarHBondContact O-N 3.1Å; G359-V395 WeakPolarHBondContact O-CG1 3.35Å
360	N	98	Very high	98.3	Very high	17 Å²	17	15.6 Å²	15.6	9%	0.091	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	30.1	-178.2	-166.9	58.7	0	0	0	114.4	S121 V122 G123 G357 V399	S121-N360 PolarHBondContact N-OD1 3.32Å; V122-N360 HydrophobicContact CG2-CB 4.16Å; V122-N360 PolarHBondContact N-OD1 3.34Å; G123-N360 PolarHBondContact O-ND2 2.9Å; G357-N360 PolarHBondContact O-N 3.21Å; N360-V399 HydrophobicContact CB-CG2 3.58Å
361	G	95.4	Very high	98.3	Very high	45 Å²	45	17.3 Å²	17.3	46%	0.464	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	114	-24.1	-172.8	0	0	0	0	0	115.2	G359	G359-G361 PolarHBondContact O-N 2.83Å
362	F	97.6	Very high	98.2	Very high	78 Å²	78	23.4 Å²	23.4	34%	0.342	14%	0.137	S	C	.	.	S	Bend	trans	-70.3	136.3	172.5	-158.6	-81.1	0	0	0	110.3	G359 M364 V391 A392 V395	G359-F362 WeakPolarHBondContact O-CB 3.33Å; G359-F362 PolarHBondContact O-N 3.1Å; F362-M364 PolarHBondContact O-N 3.02Å; F362-V391 HydrophobicContact CE2-CG1 3.75Å; F362-V391 HydrophobicContact CZ-CB 4.1Å; F362-V391 HydrophobicContact CZ-CG1 3.67Å; F362-A392 HydrophobicContact CD1-CB 3.8Å; F362-A392 HydrophobicContact CE1-CB 3.64Å; F362-V395 HydrophobicContact CB-CB 4.4Å; F362-V395 HydrophobicContact CB-CG1 3.73Å; F362-V395 HydrophobicContact CD2-CG2 4.23Å; F362-V395 HydrophobicContact CG-CB 4.49Å; F362-V395 HydrophobicContact CG-CG1 4.32Å; F362-V395 HydrophobicContact CG-CG2 4.38Å
363	P	97.9	Very high	98.2	Very high	83 Å²	83	23.6 Å²	23.6	54%	0.539	14%	0.138	S	C	.	.	S	Bend	trans	-61.2	110.5	-178.2	-25.3	35.2	0	0	0	112.9
364	M	97.8	Very high	98.2	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.025	14%	0.144	C	C	.	.			trans	-155.5	147	167.3	-178.3	-177.9	-72.8	0	0	109.5	Y155 L172 T173 N174 A355 I358 F362 A392 A396	Y155-M364 HydrophobicContact CD1-CE 4.36Å; Y155-M364 HydrophobicContact CD1-SD 4.37Å; Y155-M364 HydrophobicContact CE1-CE 4.12Å; Y155-M364 HydrophobicContact CE1-SD 3.57Å; Y155-M364 VanDerWaalsContact CE1-SD 3.57Å; L172-M364 HydrophobicContact CD2-SD 4.32Å; T173-M364 WeakPolarHBondContact O-CA 3.2Å; N174-M364 PolarHBondContact O-N 3.09Å; A355-M364 WeakPolarHBondContact CA-O 3.23Å; A355-M364 WeakPolarHBondContact CB-O 3.02Å; I358-M364 HydrophobicContact CD1-CG 3.93Å; I358-M364 HydrophobicContact CD1-SD 3.61Å; I358-M364 HydrophobicContact CG1-CG 4.34Å; I358-M364 HydrophobicContact CG1-SD 3.79Å; I358-M364 HydrophobicContact CG2-CB 3.94Å; I358-M364 HydrophobicContact CG2-CG 4.24Å; I358-M364 WeakPolarHBondContact CG2-O 3.09Å; F362-M364 PolarHBondContact O-N 3.02Å; M364-A392 HydrophobicContact CE-CB 3.53Å; M364-A392 VanDerWaalsContact CE-O 3.29Å; M364-A392 WeakPolarHBondContact CE-O 3.43Å; M364-A396 HydrophobicContact CE-CB 3.86Å; M364-A396 HydrophobicContact SD-CB 3.7Å
365	G	98.6	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	173.7	159.6	0	0	0	0	0	110.3	T173 M354	T173-G365 PolarHBondContact N-O 3.41Å; T173-G365 PolarHBondContact O-N 3.12Å; T173-G365 VanDerWaalsContact O-O 3.07Å; T173-G365 VanDerWaalsContact OG1-C 3.23Å; T173-G365 WeakPolarHBondContact OG1-CA 3.21Å; T173-G365 PolarHBondContact OG1-O 2.79Å; M354-G365 CarbonylContact O-C 3.55Å; M354-G365 WeakPolarHBondContact O-CA 3.3Å
366	A	98.8	Very high	98	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.4	172.2	0	0	0	0	0	111.8	L159 V170 I171 L172 A179 T353 M354 I358	L159-A366 HydrophobicContact CD2-CB 4.42Å; V170-A366 HydrophobicContact CG1-CB 4.45Å; I171-A366 CarbonylContact O-C 3.42Å; I171-A366 VanDerWaalsContact O-CA 3.29Å; I171-A366 WeakPolarHBondContact O-CA 3.49Å; L172-A366 HydrophobicContact CD2-CB 3.7Å; A179-A366 WeakPolarHBondContact CB-O 2.78Å; T353-A366 WeakPolarHBondContact CA-O 3.48Å; M354-A366 HydrophobicContact CG-CB 3.7Å; M354-A366 PolarHBondContact N-O 3.05Å; M354-A366 PolarHBondContact O-N 3.03Å; M354-A366 HydrophobicContact SD-CB 4.08Å; I358-A366 HydrophobicContact CD1-CB 4.23Å
367	V	98.9	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.3	159.3	-173.7	0	0	0	0	107.1	I171 A179 L182 A183 M186 M351 V352 T353	I171-V367 PolarHBondContact N-O 3.42Å; I171-V367 PolarHBondContact O-N 3.37Å; A179-V367 HydrophobicContact CB-CG2 4.09Å; A179-V367 WeakPolarHBondContact O-CG2 3.44Å; L182-V367 HydrophobicContact CB-CG2 4.11Å; L182-V367 HydrophobicContact CD2-CB 4.46Å; L182-V367 HydrophobicContact CD2-CG2 3.86Å; L182-V367 HydrophobicContact CG-CG2 4Å; A183-V367 HydrophobicContact CB-CG1 4.19Å; A183-V367 HydrophobicContact CB-CG2 4.25Å; M186-V367 HydrophobicContact SD-CG1 4.37Å; M351-V367 HydrophobicContact CB-CG1 4.41Å; M351-V367 HydrophobicContact SD-CG1 4.07Å; V352-V367 CarbonylContact O-C 3.59Å; V352-V367 WeakPolarHBondContact O-CA 3.43Å; T353-V367 HydrophobicContact CG2-CG2 4.24Å
368	V	98.9	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.9	170.6	-168.3	0	0	0	0	109.2	L159 L163 L167 V169 V170 M351 V352 M354	L159-V368 HydrophobicContact CD2-CG2 4.26Å; L163-V368 HydrophobicContact CD1-CG1 4.21Å; L163-V368 HydrophobicContact CD1-CG2 4.26Å; L163-V368 HydrophobicContact CD2-CB 3.77Å; L163-V368 HydrophobicContact CD2-CG1 3.7Å; L163-V368 HydrophobicContact CD2-CG2 4.3Å; L163-V368 HydrophobicContact CG-CG1 4.46Å; L167-V368 HydrophobicContact CB-CG1 4.43Å; V169-V368 CarbonylContact O-C 3.48Å; V169-V368 VanDerWaalsContact O-CA 3.32Å; V169-V368 WeakPolarHBondContact O-CA 3.37Å; V170-V368 HydrophobicContact CG1-CG2 4.41Å; V170-V368 HydrophobicContact CG2-CG1 4.2Å; V170-V368 HydrophobicContact CG2-CG2 4.08Å; M351-V368 CarbonylContact C-O 3.28Å; M351-V368 WeakPolarHBondContact CA-O 3.32Å; V352-V368 PolarHBondContact N-O 2.97Å; V352-V368 PolarHBondContact O-N 3.32Å; M354-V368 HydrophobicContact CE-CB 4.42Å; M354-V368 HydrophobicContact CE-CG2 3.64Å; M354-V368 HydrophobicContact SD-CG2 4.3Å
369	T	98.9	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	179.2	-172.3	-169.6	0	0	0	0	112.6	K168 V169 I171 M186 D350 M351 I373 A374	K168-T369 PolarHBondContact N-O 2.95Å; V169-T369 HydrophobicContact CB-CG2 4.22Å; V169-T369 PolarHBondContact N-O 3.16Å; V169-T369 PolarHBondContact O-N 3.18Å; I171-T369 HydrophobicContact CD1-CG2 4.06Å; M186-T369 HydrophobicContact CE-CG2 3.79Å; D350-T369 PolarHBondContact O-OG1 3.22Å; D350-T369 VanDerWaalsContact O-OG1 3.11Å; M351-T369 VanDerWaalsContact CG-OG1 3.29Å; M351-T369 WeakPolarHBondContact CG-OG1 3.43Å; T369-I373 WeakPolarHBondContact OG1-CB 3.34Å; T369-I373 WeakPolarHBondContact OG1-CG2 3.37Å; T369-A374 HydrophobicContact CG2-CB 3.99Å
370	T	98.7	Very high	97.1	Very high	14 Å²	14	39.8 Å²	39.8	9%	0.086	25%	0.249	C	C	.	.			trans	-78.1	155.1	174.3	78.7	0	0	0	0	111	P166 L167 E372 I373 A374	P166-T370 HydrophobicContact CB-CG2 4.38Å; P166-T370 HydrophobicContact CG-CG2 3.82Å; L167-T370 HydrophobicContact CD2-CG2 4.39Å; T370-E372 PolarHBondContact O-N 3.04Å; T370-E372 PolarHBondContact OG1-N 2.83Å; T370-I373 HydrophobicContact CG2-CD1 4.42Å; T370-I373 PolarHBondContact O-N 2.67Å; T370-I373 PolarHBondContact OG1-N 3.03Å; T370-A374 WeakPolarHBondContact O-CB 3.08Å; T370-A374 PolarHBondContact O-N 3.29Å; T370-A374 VanDerWaalsContact O-N 3.1Å
371	P	98.4	Very high	96.8	Very high	64 Å²	64	46.3 Å²	46.3	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-56.4	-31.9	172.8	-26.5	35.5	0	0	0	114	K168 V169 A375	K168-P371 HydrophobicContact CG-CG 4.22Å; V169-P371 HydrophobicContact CG2-CB 4.34Å; V169-P371 HydrophobicContact CG2-CG 4.15Å; P371-A375 WeakPolarHBondContact O-CB 3.4Å; P371-A375 PolarHBondContact O-N 3.2Å
372	E	98.1	Very high	96.8	Very high	128 Å²	128	47.8 Å²	47.8	60%	0.598	28%	0.284	S	S	*	.	H	α-helix	trans	-68.6	-45.8	-178.1	-163.8	-170.5	164.5	0	0	112.3	Y190 T370 A375	Y190-E372 HydrophobicContact CE2-CG 4.03Å; Y190-E372 PolarHBondContact OH-OE1 2.66Å; Y190-E372 VanDerWaalsContact OH-OE1 3.05Å; T370-E372 PolarHBondContact O-N 3.04Å; T370-E372 PolarHBondContact OG1-N 2.83Å; E372-A375 PolarHBondContact O-N 3.26Å
373	I	98.4	Very high	96.6	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-69	-42	177.4	-65.2	167.4	0	0	0	110	M186 Y190 I322 D350 M351 T369 T370 A375 S376 F377	M186-I373 HydrophobicContact CE-CG2 4.3Å; Y190-I373 HydrophobicContact CD1-CG1 3.87Å; Y190-I373 HydrophobicContact CD2-CB 4.26Å; Y190-I373 HydrophobicContact CD2-CG1 3.86Å; Y190-I373 HydrophobicContact CE1-CG1 3.93Å; Y190-I373 HydrophobicContact CE2-CG1 3.93Å; Y190-I373 HydrophobicContact CG-CB 4.34Å; Y190-I373 HydrophobicContact CG-CG1 3.84Å; Y190-I373 HydrophobicContact CG-CG2 4.32Å; I322-I373 HydrophobicContact CD1-CD1 4.03Å; I322-I373 HydrophobicContact CG2-CD1 4.41Å; D350-I373 HydrophobicContact CB-CD1 3.87Å; M351-I373 HydrophobicContact CG-CD1 4.45Å; M351-I373 HydrophobicContact CG-CG2 4.5Å; M351-I373 HydrophobicContact SD-CG2 3.97Å; T369-I373 WeakPolarHBondContact OG1-CB 3.34Å; T369-I373 WeakPolarHBondContact OG1-CG2 3.37Å; T370-I373 HydrophobicContact CG2-CD1 4.42Å; T370-I373 PolarHBondContact O-N 2.67Å; T370-I373 PolarHBondContact OG1-N 3.03Å; I373-A375 VanDerWaalsContact C-N 3.31Å; I373-A375 PolarHBondContact O-N 2.62Å; I373-S376 PolarHBondContact O-N 3.26Å; I373-F377 PolarHBondContact O-N 2.8Å
374	A	98.1	Very high	96.4	Very high	15 Å²	15	45.8 Å²	45.8	12%	0.124	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-36.6	175	0	0	0	0	0	113.1	V169 T369 T370 S376 F377 A378	V169-A374 HydrophobicContact CB-CB 3.91Å; V169-A374 HydrophobicContact CG1-CB 3.65Å; V169-A374 HydrophobicContact CG2-CB 4.02Å; T369-A374 HydrophobicContact CG2-CB 3.99Å; T370-A374 WeakPolarHBondContact O-CB 3.08Å; T370-A374 PolarHBondContact O-N 3.29Å; T370-A374 VanDerWaalsContact O-N 3.1Å; A374-S376 VanDerWaalsContact C-N 3.26Å; A374-S376 PolarHBondContact O-N 2.9Å; A374-F377 WeakPolarHBondContact O-CB 3.37Å; A374-F377 PolarHBondContact O-N 3.42Å; A374-A378 PolarHBondContact O-N 3.03Å
375	A	97.6	Very high	96.4	Very high	59 Å²	59	48.7 Å²	48.7	49%	0.488	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-31.2	177.1	0	0	0	0	0	112.9	P371 E372 I373	P371-A375 WeakPolarHBondContact O-CB 3.4Å; P371-A375 PolarHBondContact O-N 3.2Å; E372-A375 PolarHBondContact O-N 3.26Å; I373-A375 VanDerWaalsContact C-N 3.31Å; I373-A375 PolarHBondContact O-N 2.62Å
376	S	96.3	Very high	96.3	Very high	13 Å²	13	54.3 Å²	54.3	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-70.7	-32.7	171.9	-85.6	0	0	0	0	112.9	L189 I373 A374 K379	L189-S376 WeakPolarHBondContact CD2-O 3.1Å; I373-S376 PolarHBondContact O-N 3.26Å; A374-S376 VanDerWaalsContact C-N 3.26Å; A374-S376 PolarHBondContact O-N 2.9Å; S376-K379 WeakPolarHBondContact O-CB 3.34Å; S376-K379 WeakPolarHBondContact O-CD 3.46Å; S376-K379 WeakPolarHBondContact O-CG 3.5Å; S376-K379 PolarHBondContact OG-NZ 3.46Å
377	F	95	Very high	96.2	Very high	27 Å²	27	54.4 Å²	54.4	12%	0.118	31%	0.312	C	S	.	.	H	α-helix	trans	-70.4	-36.7	174.8	-177.9	-120.3	0	0	0	112.9	I171 L182 F185 M186 L189 I373 A374 K379 G380 H382	I171-F377 HydrophobicContact CG1-CE1 4.4Å; I171-F377 HydrophobicContact CG2-CE1 4.38Å; L182-F377 HydrophobicContact CD1-CD2 4.39Å; L182-F377 HydrophobicContact CD1-CE1 4.31Å; L182-F377 HydrophobicContact CD1-CE2 3.47Å; L182-F377 VanDerWaalsContact CD1-CE2 3.47Å; L182-F377 HydrophobicContact CD1-CZ 3.4Å; L182-F377 VanDerWaalsContact CD1-CZ 3.4Å; F185-F377 HydrophobicContact CD1-CD2 4.14Å; F185-F377 AromaticContact CD1-CE2 3.93Å; F185-F377 HydrophobicContact CD1-CE2 3.93Å; F185-F377 AromaticContact CE1-CD2 3.97Å; F185-F377 HydrophobicContact CE1-CD2 3.97Å; F185-F377 AromaticContact CE1-CE2 3.88Å; F185-F377 HydrophobicContact CE1-CE2 3.88Å; M186-F377 HydrophobicContact CE-CB 3.98Å; M186-F377 HydrophobicContact CE-CD1 4.28Å; M186-F377 HydrophobicContact CE-CG 4.16Å; M186-F377 HydrophobicContact CG-CB 4.18Å; M186-F377 HydrophobicContact CG-CD2 3.71Å; M186-F377 HydrophobicContact CG-CE2 4.16Å; M186-F377 HydrophobicContact CG-CG 3.96Å; M186-F377 HydrophobicContact SD-CD1 4.33Å; M186-F377 HydrophobicContact SD-CD2 4.4Å; M186-F377 HydrophobicContact SD-CG 4.22Å; L189-F377 HydrophobicContact CD2-CD2 4.35Å; I373-F377 PolarHBondContact O-N 2.8Å; A374-F377 WeakPolarHBondContact O-CB 3.37Å; A374-F377 PolarHBondContact O-N 3.42Å; F377-K379 PolarHBondContact O-N 3.07Å; F377-G380 PolarHBondContact O-N 3.12Å; F377-H382 HydrophobicContact CE1-CB 3.98Å; F377-H382 HydrophobicContact CE2-CB 3.82Å; F377-H382 AromaticContact CE2-CG 3.97Å; F377-H382 HydrophobicContact CZ-CB 3.3Å; F377-H382 AromaticContact CZ-CD2 3.64Å; F377-H382 AromaticContact CZ-CG 3.32Å; F377-H382 AromaticContact CZ-ND1 3.86Å
378	A	92.8	Very high	96	Very high	80 Å²	80	54.5 Å²	54.5	66%	0.661	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-3.4	177.3	0	0	0	0	0	115.2	A374 G380	A374-A378 PolarHBondContact O-N 3.03Å; A378-G380 PolarHBondContact O-N 2.94Å
379	K	92.3	Very high	96	Very high	155 Å²	155	55.6 Å²	55.6	67%	0.674	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.1	174.4	-66.2	171.5	-178.3	158.4	0	113.5	S376 F377	S376-K379 WeakPolarHBondContact O-CB 3.34Å; S376-K379 WeakPolarHBondContact O-CD 3.46Å; S376-K379 WeakPolarHBondContact O-CG 3.5Å; S376-K379 PolarHBondContact OG-NZ 3.46Å; F377-K379 PolarHBondContact O-N 3.07Å
380	G	92.7	Very high	95.9	Very high	48 Å²	48	55.7 Å²	55.7	50%	0.495	32%	0.319	S	S	.	.	S	Bend	trans	-130.6	172.6	175.5	0	0	0	0	0	111.9	F377 A378	F377-G380 PolarHBondContact O-N 3.12Å; A378-G380 PolarHBondContact O-N 2.94Å
381	V	92.6	Very high	95.9	Very high	153 Å²	153	55.2 Å²	55.2	93%	0.927	32%	0.316	S	S	*	.			trans	-89.7	116.6	173.2	-178.6	0	0	0	0	109
382	H	93.5	Very high	95.9	Very high	77 Å²	77	52.4 Å²	52.4	36%	0.356	30%	0.299	S	S	.	.			trans	-110.4	138.4	165.1	-179.2	87	0	0	0	109.8	F377	F377-H382 HydrophobicContact CE1-CB 3.98Å; F377-H382 HydrophobicContact CE2-CB 3.82Å; F377-H382 AromaticContact CE2-CG 3.97Å; F377-H382 HydrophobicContact CZ-CB 3.3Å; F377-H382 AromaticContact CZ-CD2 3.64Å; F377-H382 AromaticContact CZ-CG 3.32Å; F377-H382 AromaticContact CZ-ND1 3.86Å
383	F	93.4	Very high	95.9	Very high	95 Å²	95	46.3 Å²	46.3	42%	0.417	27%	0.27	S	S	.	.			trans	-139.3	133.7	-179.6	-178.1	-107.4	0	0	0	110.9	T144 F145 I146	T144-F383 HydrophobicContact CG2-CE2 4.46Å; T144-F383 HydrophobicContact CG2-CZ 3.87Å; F145-F383 HydrophobicContact CE1-CD2 4.16Å; F145-F383 HydrophobicContact CE1-CE2 4.43Å; F145-F383 HydrophobicContact CE2-CD2 4.24Å; F145-F383 AromaticContact CZ-CD2 3.83Å; F145-F383 HydrophobicContact CZ-CD2 3.83Å; F145-F383 HydrophobicContact CZ-CE2 4.45Å; I146-F383 HydrophobicContact CG2-CD2 4.17Å; I146-F383 HydrophobicContact CG2-CE2 3.74Å
384	N	94.8	Very high	95.9	Very high	23 Å²	23	47.1 Å²	47.1	12%	0.123	28%	0.277	C	S	.	.			trans	-127.3	117.4	172	-173.8	-34.8	0	0	0	107.4	N174 E178 F386 G387	N174-N384 PolarHBondContact ND2-ND2 2.87Å; N174-N384 PolarHBondContact ND2-OD1 2.94Å; E178-N384 PolarHBondContact OE2-ND2 3.36Å; N384-F386 VanDerWaalsContact C-N 3.26Å; N384-F386 PolarHBondContact O-N 3.07Å; N384-F386 PolarHBondContact OD1-N 2.93Å; N384-F386 VanDerWaalsContact OD1-N 3.16Å; N384-G387 PolarHBondContact O-N 3.11Å; N384-G387 PolarHBondContact OD1-N 3.1Å
385	T	97.1	Very high	96	Very high	67 Å²	67	46.6 Å²	46.6	41%	0.411	27%	0.273	S	S	.	.	S	Bend	trans	-56.3	-40.9	-175.9	-52.5	0	0	0	0	112.3	H142 T144	H142-T385 PolarHBondContact CE1-O 3.15Å; T144-T385 HydrophobicContact CG2-CG2 4.44Å
386	F	97.4	Very high	96	Very high	117 Å²	117	43.8 Å²	43.8	51%	0.513	25%	0.249	S	C	.	.	S	Bend	trans	-106.2	-11.9	-174.5	-58.2	-52.1	0	0	0	113.6	N174 N384 G388 N389	N174-F386 WeakPolarHBondContact OD1-CB 3.48Å; N174-F386 PolarHBondContact OD1-O 2.72Å; N384-F386 VanDerWaalsContact C-N 3.26Å; N384-F386 PolarHBondContact O-N 3.07Å; N384-F386 PolarHBondContact OD1-N 2.93Å; N384-F386 VanDerWaalsContact OD1-N 3.16Å; F386-G388 PolarHBondContact O-N 3.38Å; F386-G388 VanDerWaalsContact O-N 3.15Å; F386-N389 VanDerWaalsContact O-CB 3.24Å; F386-N389 WeakPolarHBondContact O-CB 3.42Å; F386-N389 PolarHBondContact O-N 3.22Å
387	G	96.1	Very high	96.1	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	118	174.8	0	0	0	0	0	111.5	L172 N174 N384	L172-G387 WeakPolarHBondContact O-CA 3.07Å; N174-G387 PolarHBondContact OD1-N 3.19Å; N384-G387 PolarHBondContact O-N 3.11Å; N384-G387 PolarHBondContact OD1-N 3.1Å
388	G	95.5	Very high	96.3	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	9.1	-177.2	0	0	0	0	0	116.2	Y149 F386 C393	Y149-G388 WeakPolarHBondContact CE2-O 3.38Å; Y149-G388 PolarHBondContact OH-O 2.83Å; F386-G388 PolarHBondContact O-N 3.38Å; F386-G388 VanDerWaalsContact O-N 3.15Å; G388-C393 PolarHBondContact O-SG 2.89Å
389	N	97.3	Very high	96.6	Very high	23 Å²	23	39.4 Å²	39.4	12%	0.123	22%	0.218	C	C	.	.			trans	-38.1	134.1	178.1	172.1	-77.1	0	0	0	113.1	W141 H142 F386 V391 A392 C393	W141-N389 PolarHBondContact O-ND2 2.72Å; W141-N389 PolarHBondContact O-OD1 3.12Å; H142-N389 PolarHBondContact ND1-ND2 2.99Å; F386-N389 VanDerWaalsContact O-CB 3.24Å; F386-N389 WeakPolarHBondContact O-CB 3.42Å; F386-N389 PolarHBondContact O-N 3.22Å; N389-V391 VanDerWaalsContact C-N 3.34Å; N389-V391 PolarHBondContact O-N 3.23Å; N389-V391 WeakPolarHBondContact OD1-CA 2.8Å; N389-V391 WeakPolarHBondContact OD1-CB 3.36Å; N389-V391 PolarHBondContact OD1-N 3.24Å; N389-A392 HydrophobicContact CB-CB 3.96Å; N389-A392 WeakPolarHBondContact O-CA 3.42Å; N389-A392 WeakPolarHBondContact O-CB 3.43Å; N389-A392 PolarHBondContact O-N 3.12Å; N389-A392 PolarHBondContact OD1-N 2.91Å; N389-A392 VanDerWaalsContact OD1-N 3.11Å; N389-C393 PolarHBondContact O-N 3.34Å
390	P	98.4	Very high	96.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-54.7	-40.8	-175.5	-27	32.3	0	0	0	115.2	Q136 L140 T143 Y149 A394	Q136-P390 HydrophobicContact CG-CB 4.36Å; L140-P390 HydrophobicContact CD2-CG 4.01Å; L140-P390 HydrophobicContact CG-CG 4.19Å; T143-P390 HydrophobicContact CG2-CG 4.15Å; Y149-P390 HydrophobicContact CD2-CB 4.33Å; Y149-P390 HydrophobicContact CD2-CG 3.79Å; Y149-P390 HydrophobicContact CE2-CB 4.37Å; Y149-P390 HydrophobicContact CE2-CG 3.7Å; Y149-P390 HydrophobicContact CG-CG 4.49Å; P390-A394 WeakPolarHBondContact O-CB 3.18Å; P390-A394 PolarHBondContact O-N 2.94Å
391	V	98.4	Very high	97.2	Very high	4 Å²	4	32 Å²	32	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-67.9	-43.3	176.9	-178.1	0	0	0	0	110.2	Q136 L137 F362 N389 C393 A394 V395	Q136-V391 HydrophobicContact CB-CG2 4.47Å; Q136-V391 HydrophobicContact CG-CB 4.38Å; Q136-V391 HydrophobicContact CG-CG2 3.96Å; L137-V391 HydrophobicContact CD2-CG1 4Å; L137-V391 HydrophobicContact CD2-CG2 3.77Å; L137-V391 HydrophobicContact CG-CG1 4.06Å; L137-V391 HydrophobicContact CG-CG2 4.17Å; F362-V391 HydrophobicContact CE2-CG1 3.75Å; F362-V391 HydrophobicContact CZ-CB 4.1Å; F362-V391 HydrophobicContact CZ-CG1 3.67Å; N389-V391 VanDerWaalsContact C-N 3.34Å; N389-V391 PolarHBondContact O-N 3.23Å; N389-V391 WeakPolarHBondContact OD1-CA 2.8Å; N389-V391 WeakPolarHBondContact OD1-CB 3.36Å; N389-V391 PolarHBondContact OD1-N 3.24Å; V391-C393 VanDerWaalsContact C-N 3.35Å; V391-C393 PolarHBondContact O-N 3.05Å; V391-A394 PolarHBondContact O-N 3.27Å; V391-V395 HydrophobicContact CG1-CG2 4.41Å; V391-V395 WeakPolarHBondContact O-CB 3.31Å; V391-V395 WeakPolarHBondContact O-CG2 3.3Å; V391-V395 PolarHBondContact O-N 3.37Å
392	A	98.3	Very high	97.5	Very high	5 Å²	5	24.7 Å²	24.7	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-45.5	176.4	0	0	0	0	0	111.3	F362 M364 N389 V395 A396	F362-A392 HydrophobicContact CD1-CB 3.8Å; F362-A392 HydrophobicContact CE1-CB 3.64Å; M364-A392 HydrophobicContact CE-CB 3.53Å; M364-A392 VanDerWaalsContact CE-O 3.29Å; M364-A392 WeakPolarHBondContact CE-O 3.43Å; N389-A392 HydrophobicContact CB-CB 3.96Å; N389-A392 WeakPolarHBondContact O-CA 3.42Å; N389-A392 WeakPolarHBondContact O-CB 3.43Å; N389-A392 PolarHBondContact O-N 3.12Å; N389-A392 PolarHBondContact OD1-N 2.91Å; N389-A392 VanDerWaalsContact OD1-N 3.11Å; A392-V395 PolarHBondContact O-N 3.08Å; A392-A396 VanDerWaalsContact O-CB 3.31Å; A392-A396 WeakPolarHBondContact O-CB 3.45Å; A392-A396 PolarHBondContact O-N 3.06Å
393	C	98.7	Very high	97.8	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-41.7	177	-68.6	0	0	0	0	112.6	A151 Y155 G388 N389 V391 A396 S397	A151-C393 HydrophobicContact CB-CB 4.19Å; A151-C393 WeakPolarHBondContact O-CB 3.23Å; Y155-C393 HydrophobicContact CG-CB 4.28Å; G388-C393 PolarHBondContact O-SG 2.89Å; N389-C393 PolarHBondContact O-N 3.34Å; V391-C393 VanDerWaalsContact C-N 3.35Å; V391-C393 PolarHBondContact O-N 3.05Å; C393-A396 PolarHBondContact O-N 3.43Å; C393-S397 WeakPolarHBondContact O-CB 3.46Å; C393-S397 PolarHBondContact O-N 3.04Å
394	A	98.6	Very high	98	Very high	21 Å²	21	20.7 Å²	20.7	17%	0.174	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-41.9	175.5	0	0	0	0	0	112.2	Q136 P390 V391 A398	Q136-A394 HydrophobicContact CB-CB 3.7Å; Q136-A394 HydrophobicContact CG-CB 3.79Å; P390-A394 WeakPolarHBondContact O-CB 3.18Å; P390-A394 PolarHBondContact O-N 2.94Å; V391-A394 PolarHBondContact O-N 3.27Å; A394-A398 WeakPolarHBondContact O-CB 3.39Å; A394-A398 PolarHBondContact O-N 2.85Å
395	V	98.7	Very high	98.2	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.024	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-52.7	174.4	166.3	0	0	0	0	111	V129 A133 G359 F362 V391 A392 S397 A398 V399	V129-V395 HydrophobicContact CG1-CG1 3.81Å; A133-V395 HydrophobicContact CB-CG2 3.65Å; G359-V395 WeakPolarHBondContact O-CG1 3.35Å; F362-V395 HydrophobicContact CB-CB 4.4Å; F362-V395 HydrophobicContact CB-CG1 3.73Å; F362-V395 HydrophobicContact CD2-CG2 4.23Å; F362-V395 HydrophobicContact CG-CB 4.49Å; F362-V395 HydrophobicContact CG-CG1 4.32Å; F362-V395 HydrophobicContact CG-CG2 4.38Å; V391-V395 HydrophobicContact CG1-CG2 4.41Å; V391-V395 WeakPolarHBondContact O-CB 3.31Å; V391-V395 WeakPolarHBondContact O-CG2 3.3Å; V391-V395 PolarHBondContact O-N 3.37Å; A392-V395 PolarHBondContact O-N 3.08Å; V395-S397 VanDerWaalsContact C-N 3.32Å; V395-S397 PolarHBondContact O-N 3.48Å; V395-A398 PolarHBondContact O-N 2.98Å; V395-A398 VanDerWaalsContact O-N 3.13Å; V395-V399 HydrophobicContact CG1-CG2 4.4Å; V395-V399 WeakPolarHBondContact O-CG2 3.39Å; V395-V399 PolarHBondContact O-N 2.61Å
396	A	98.7	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-35.1	-176.7	0	0	0	0	0	112.5	Y155 I358 M364 A392 C393 V399 L400	Y155-A396 HydrophobicContact CD2-CB 4.07Å; Y155-A396 HydrophobicContact CE1-CB 4.05Å; Y155-A396 VanDerWaalsContact CE2-C 3.46Å; Y155-A396 HydrophobicContact CE2-CB 3.42Å; Y155-A396 VanDerWaalsContact CE2-CB 3.42Å; Y155-A396 VanDerWaalsContact CZ-CB 3.43Å; I358-A396 HydrophobicContact CG1-CB 4.35Å; I358-A396 VanDerWaalsContact O-CA 3.29Å; I358-A396 WeakPolarHBondContact O-CA 3.31Å; I358-A396 VanDerWaalsContact O-CB 3.26Å; I358-A396 WeakPolarHBondContact O-CB 3.34Å; M364-A396 HydrophobicContact CE-CB 3.86Å; M364-A396 HydrophobicContact SD-CB 3.7Å; A392-A396 VanDerWaalsContact O-CB 3.31Å; A392-A396 WeakPolarHBondContact O-CB 3.45Å; A392-A396 PolarHBondContact O-N 3.06Å; C393-A396 PolarHBondContact O-N 3.43Å; A396-V399 PolarHBondContact O-N 2.82Å; A396-L400 PolarHBondContact O-N 3.47Å
397	S	98.8	Very high	98.3	Very high	21 Å²	21	22.3 Å²	22.3	15%	0.147	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-48.3	170	-176.4	0	0	0	0	111.5	K158 C393 V395 V399 L400 D401	K158-S397 PolarHBondContact NZ-OG 2.98Å; C393-S397 WeakPolarHBondContact O-CB 3.46Å; C393-S397 PolarHBondContact O-N 3.04Å; V395-S397 VanDerWaalsContact C-N 3.32Å; V395-S397 PolarHBondContact O-N 3.48Å; S397-V399 VanDerWaalsContact C-N 3.3Å; S397-V399 PolarHBondContact O-N 3.47Å; S397-L400 PolarHBondContact O-N 3.29Å; S397-D401 VanDerWaalsContact O-CG 3.27Å; S397-D401 PolarHBondContact O-N 2.95Å
398	A	98.9	Very high	98.4	Very high	8 Å²	8	22.3 Å²	22.3	7%	0.066	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-31.8	177.3	0	0	0	0	0	112.8	V129 A132 A394 V395 T402	V129-A398 HydrophobicContact CG2-CB 4.5Å; A132-A398 HydrophobicContact CB-CB 3.48Å; A132-A398 VanDerWaalsContact CB-CB 3.48Å; A394-A398 WeakPolarHBondContact O-CB 3.39Å; A394-A398 PolarHBondContact O-N 2.85Å; V395-A398 PolarHBondContact O-N 2.98Å; V395-A398 VanDerWaalsContact O-N 3.13Å; A398-T402 VanDerWaalsContact O-CB 3.31Å; A398-T402 WeakPolarHBondContact O-CB 3.37Å; A398-T402 PolarHBondContact O-N 2.85Å; A398-T402 PolarHBondContact O-OG1 2.77Å
399	V	98.9	Very high	98.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-45.1	173.2	171.3	0	0	0	0	111.1	V122 V129 G357 N360 V395 A396 S397 D401 T402 I403	V122-V399 HydrophobicContact CG1-CG1 4.39Å; V122-V399 HydrophobicContact CG2-CG2 4.49Å; V129-V399 HydrophobicContact CG1-CG2 3.86Å; V129-V399 HydrophobicContact CG2-CG2 3.82Å; G357-V399 WeakPolarHBondContact O-CG1 3.41Å; N360-V399 HydrophobicContact CB-CG2 3.58Å; V395-V399 HydrophobicContact CG1-CG2 4.4Å; V395-V399 WeakPolarHBondContact O-CG2 3.39Å; V395-V399 PolarHBondContact O-N 2.61Å; A396-V399 PolarHBondContact O-N 2.82Å; S397-V399 VanDerWaalsContact C-N 3.3Å; S397-V399 PolarHBondContact O-N 3.47Å; V399-D401 VanDerWaalsContact C-N 3.34Å; V399-D401 PolarHBondContact O-N 3.36Å; V399-T402 PolarHBondContact O-N 2.75Å; V399-I403 HydrophobicContact CG1-CD1 3.94Å; V399-I403 HydrophobicContact CG1-CG1 4.45Å; V399-I403 VanDerWaalsContact O-CG1 3.3Å; V399-I403 WeakPolarHBondContact O-CG1 3.43Å; V399-I403 PolarHBondContact O-N 3.46Å
400	L	98.8	Very high	98.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-47.6	173.7	-73.2	177.5	0	0	0	111.5	Y155 K158 Y162 F332 F339 A396 S397 T402 I403 I404	Y155-L400 HydrophobicContact CD2-CD1 4.41Å; Y155-L400 HydrophobicContact CE2-CD1 3.69Å; Y155-L400 HydrophobicContact CE2-CG 4.41Å; K158-L400 HydrophobicContact CD-CB 4.11Å; K158-L400 HydrophobicContact CD-CD1 3.91Å; K158-L400 HydrophobicContact CG-CD1 3.84Å; Y162-L400 HydrophobicContact CD2-CD1 4.3Å; Y162-L400 HydrophobicContact CD2-CD2 4.27Å; Y162-L400 HydrophobicContact CE2-CD1 4.26Å; Y162-L400 HydrophobicContact CE2-CD2 4.34Å; F332-L400 HydrophobicContact CD1-CD2 3.88Å; F332-L400 HydrophobicContact CE1-CD2 3.87Å; F339-L400 HydrophobicContact CE1-CD2 4.31Å; F339-L400 HydrophobicContact CZ-CD2 3.66Å; A396-L400 PolarHBondContact O-N 3.47Å; S397-L400 PolarHBondContact O-N 3.29Å; L400-T402 VanDerWaalsContact C-N 3.32Å; L400-T402 PolarHBondContact O-N 2.99Å; L400-I403 PolarHBondContact O-N 3.43Å; L400-I404 PolarHBondContact O-N 2.9Å
401	D	98.8	Very high	98.6	Very high	46 Å²	46	31.6 Å²	31.6	25%	0.246	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-39.1	179.3	-58.6	-25.7	0	0	0	111.7	K128 K158 S397 V399 I404 E405	K128-D401 VanDerWaalsContact NZ-CB 3.32Å; K158-D401 WeakPolarHBondContact CE-OD1 3.4Å; K158-D401 IonicContact NZ-OD1 2.78Å; K158-D401 PolarHBondContact NZ-OD1 2.9Å; K158-D401 IonicContact NZ-OD2 2.68Å; K158-D401 PolarHBondContact NZ-OD2 3.37Å; S397-D401 VanDerWaalsContact O-CG 3.27Å; S397-D401 PolarHBondContact O-N 2.95Å; V399-D401 VanDerWaalsContact C-N 3.34Å; V399-D401 PolarHBondContact O-N 3.36Å; D401-I404 PolarHBondContact O-N 2.92Å; D401-E405 WeakPolarHBondContact O-CB 3.44Å; D401-E405 WeakPolarHBondContact O-CG 3.37Å; D401-E405 PolarHBondContact O-N 2.95Å
402	T	98.8	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-40.9	175.6	-55.9	0	0	0	0	111.5	V122 H126 A398 V399 L400 I404 E405 D406	V122-T402 HydrophobicContact CB-CG2 3.71Å; V122-T402 HydrophobicContact CG1-CG2 3.79Å; V122-T402 HydrophobicContact CG2-CG2 3.98Å; H126-T402 WeakPolarHBondContact CE1-CG2 3.39Å; A398-T402 VanDerWaalsContact O-CB 3.31Å; A398-T402 WeakPolarHBondContact O-CB 3.37Å; A398-T402 PolarHBondContact O-N 2.85Å; A398-T402 PolarHBondContact O-OG1 2.77Å; V399-T402 PolarHBondContact O-N 2.75Å; L400-T402 VanDerWaalsContact C-N 3.32Å; L400-T402 PolarHBondContact O-N 2.99Å; T402-I404 PolarHBondContact O-N 3.38Å; T402-E405 PolarHBondContact O-N 2.75Å; T402-D406 WeakPolarHBondContact CG2-OD2 3.49Å; T402-D406 WeakPolarHBondContact O-CB 3.11Å; T402-D406 PolarHBondContact O-N 3.03Å
403	I	98.8	Very high	98.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-39	-179.3	-73.6	163.4	0	0	0	111.6	V122 F332 F339 V399 L400 T408 M492	V122-I403 HydrophobicContact CG1-CG1 3.62Å; F332-I403 HydrophobicContact CB-CD1 3.89Å; F332-I403 HydrophobicContact CD1-CD1 4.25Å; F339-I403 HydrophobicContact CE2-CG2 4.04Å; V399-I403 HydrophobicContact CG1-CD1 3.94Å; V399-I403 HydrophobicContact CG1-CG1 4.45Å; V399-I403 VanDerWaalsContact O-CG1 3.3Å; V399-I403 WeakPolarHBondContact O-CG1 3.43Å; V399-I403 PolarHBondContact O-N 3.46Å; L400-I403 PolarHBondContact O-N 3.43Å; I403-T408 VanDerWaalsContact CA-OG1 3.3Å; I403-T408 WeakPolarHBondContact CA-OG1 3.41Å; I403-T408 PolarHBondContact O-N 3.47Å; I403-T408 VanDerWaalsContact O-N 3.15Å; I403-T408 PolarHBondContact O-OG1 2.74Å; I403-M492 HydrophobicContact CD1-CE 4.39Å; I403-M492 HydrophobicContact CG1-CE 4Å
404	I	98.3	Very high	98.7	Very high	87 Å²	87	37.7 Å²	37.7	45%	0.446	20%	0.201	S	C	.	.	H	α-helix	trans	-78.9	-52.3	-179.5	-58	-55.7	0	0	0	111.8	Y162 L400 D401 T402 D406 G407	Y162-I404 HydrophobicContact CE1-CD1 4.01Å; Y162-I404 HydrophobicContact CE1-CG1 4.33Å; Y162-I404 WeakPolarHBondContact OH-CG1 3.42Å; L400-I404 PolarHBondContact O-N 2.9Å; D401-I404 PolarHBondContact O-N 2.92Å; T402-I404 PolarHBondContact O-N 3.38Å; I404-D406 PolarHBondContact O-N 3.03Å; I404-G407 PolarHBondContact O-N 2.88Å; I404-G407 VanDerWaalsContact O-N 3.15Å
405	E	98.4	Very high	98.7	Very high	132 Å²	132	37.2 Å²	37.2	62%	0.617	20%	0.196	S	C	*	.	H	α-helix	trans	-63.8	-41.1	-175.6	-74.5	170.3	-142.7	0	0	112.7	K128 D401 T402 G407	K128-E405 IonicContact NZ-OE1 3.67Å; K128-E405 PolarHBondContact NZ-OE1 2.98Å; K128-E405 IonicContact NZ-OE2 2.72Å; K128-E405 PolarHBondContact NZ-OE2 3.08Å; D401-E405 WeakPolarHBondContact O-CB 3.44Å; D401-E405 WeakPolarHBondContact O-CG 3.37Å; D401-E405 PolarHBondContact O-N 2.95Å; T402-E405 PolarHBondContact O-N 2.75Å; E405-G407 VanDerWaalsContact C-N 3.26Å; E405-G407 PolarHBondContact O-N 3.13Å
406	D	98.4	Very high	98.7	Very high	79 Å²	79	37 Å²	37	42%	0.422	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.9	178.9	-62.6	-3.4	0	0	0	112.4	H126 T402 I404 T408	H126-D406 IonicContact CE1-OD2 3.22Å; H126-D406 IonicContact NE2-OD2 3.38Å; H126-D406 PolarHBondContact NE2-OD2 3.26Å; T402-D406 WeakPolarHBondContact CG2-OD2 3.49Å; T402-D406 WeakPolarHBondContact O-CB 3.11Å; T402-D406 PolarHBondContact O-N 3.03Å; I404-D406 PolarHBondContact O-N 3.03Å; D406-T408 HydrophobicContact CB-CG2 3.86Å; D406-T408 PolarHBondContact O-N 3.01Å; D406-T408 VanDerWaalsContact O-N 3.16Å
407	G	98.4	Very high	98.7	Very high	30 Å²	30	39.1 Å²	39.1	31%	0.309	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	21.1	179.6	0	0	0	0	0	114.8	I404 E405 Q409 K410 N411	I404-G407 PolarHBondContact O-N 2.88Å; I404-G407 VanDerWaalsContact O-N 3.15Å; E405-G407 VanDerWaalsContact C-N 3.26Å; E405-G407 PolarHBondContact O-N 3.13Å; G407-Q409 PolarHBondContact O-N 3.33Å; G407-Q409 VanDerWaalsContact O-N 3.12Å; G407-K410 WeakPolarHBondContact O-CA 3.35Å; G407-K410 WeakPolarHBondContact O-CB 3.36Å; G407-K410 PolarHBondContact O-N 3.06Å; G407-N411 PolarHBondContact O-N 2.99Å
408	T	98.4	Very high	98.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-25.1	-170.4	57	0	0	0	0	115	I403 D406 S412 M492	I403-T408 VanDerWaalsContact CA-OG1 3.3Å; I403-T408 WeakPolarHBondContact CA-OG1 3.41Å; I403-T408 PolarHBondContact O-N 3.47Å; I403-T408 VanDerWaalsContact O-N 3.15Å; I403-T408 PolarHBondContact O-OG1 2.74Å; D406-T408 HydrophobicContact CB-CG2 3.86Å; D406-T408 PolarHBondContact O-N 3.01Å; D406-T408 VanDerWaalsContact O-N 3.16Å; T408-S412 WeakPolarHBondContact O-CB 3.49Å; T408-S412 PolarHBondContact O-N 2.81Å; T408-S412 PolarHBondContact O-OG 3.1Å; T408-M492 HydrophobicContact CG2-CB 4.35Å; T408-M492 WeakPolarHBondContact OG1-CE 3.06Å
409	Q	98.6	Very high	98.7	Very high	47 Å²	47	39.4 Å²	39.4	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-45.4	169.3	177.1	-179.6	-17.7	0	0	111.2	G336 H338 G407 S412 L413	G336-Q409 WeakPolarHBondContact CA-O 3.46Å; G336-Q409 WeakPolarHBondContact O-CG 3.32Å; G336-Q409 PolarHBondContact O-NE2 2.66Å; H338-Q409 VanDerWaalsContact C-NE2 3.31Å; G407-Q409 PolarHBondContact O-N 3.33Å; G407-Q409 VanDerWaalsContact O-N 3.12Å; Q409-S412 WeakPolarHBondContact O-CB 3.18Å; Q409-S412 PolarHBondContact O-N 3.48Å; Q409-L413 PolarHBondContact O-N 3.09Å
410	K	98.7	Very high	98.6	Very high	131 Å²	131	39.4 Å²	39.4	57%	0.57	20%	0.204	S	C	*	.	H	α-helix	trans	-64.4	-42.6	175.1	173.1	166.5	171.2	48.8	0	110.8	G407 S412 L413 D414	G407-K410 WeakPolarHBondContact O-CA 3.35Å; G407-K410 WeakPolarHBondContact O-CB 3.36Å; G407-K410 PolarHBondContact O-N 3.06Å; K410-S412 PolarHBondContact O-N 3.32Å; K410-L413 WeakPolarHBondContact O-CB 3.42Å; K410-L413 PolarHBondContact O-N 2.97Å; K410-L413 VanDerWaalsContact O-N 3.08Å; K410-D414 WeakPolarHBondContact CE-OD2 3.26Å; K410-D414 WeakPolarHBondContact CG-OD2 3.37Å; K410-D414 VanDerWaalsContact NZ-CG 3.29Å; K410-D414 IonicContact NZ-OD1 2.79Å; K410-D414 PolarHBondContact NZ-OD1 3.23Å; K410-D414 VanDerWaalsContact NZ-OD1 3.13Å; K410-D414 IonicContact NZ-OD2 3.42Å; K410-D414 PolarHBondContact NZ-OD2 2.95Å; K410-D414 PolarHBondContact O-N 3.39Å
411	N	98.8	Very high	98.6	Very high	43 Å²	43	42.2 Å²	42.2	23%	0.23	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-38.5	174.2	-167.1	56	0	0	0	111.8	G407 L413 D414 V415 M492 I494	G407-N411 PolarHBondContact O-N 2.99Å; N411-L413 VanDerWaalsContact C-N 3.32Å; N411-L413 PolarHBondContact O-N 3.36Å; N411-D414 PolarHBondContact O-N 3.2Å; N411-V415 WeakPolarHBondContact O-CB 3.47Å; N411-V415 PolarHBondContact O-N 3.01Å; N411-V415 WeakPolarHBondContact OD1-CG2 3.34Å; N411-M492 PolarHBondContact ND2-O 3.27Å; N411-I494 PolarHBondContact ND2-O 3.24Å
412	S	98.8	Very high	98.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-37.4	174.4	-63.2	0	0	0	0	112.9	T408 Q409 K410 G416 G440 L441 M492	T408-S412 WeakPolarHBondContact O-CB 3.49Å; T408-S412 PolarHBondContact O-N 2.81Å; T408-S412 PolarHBondContact O-OG 3.1Å; Q409-S412 WeakPolarHBondContact O-CB 3.18Å; Q409-S412 PolarHBondContact O-N 3.48Å; K410-S412 PolarHBondContact O-N 3.32Å; S412-G416 WeakPolarHBondContact O-CA 3.42Å; S412-G416 PolarHBondContact O-N 3.19Å; S412-G440 CarbonylContact O-C 3.49Å; S412-G440 WeakPolarHBondContact O-CA 3.43Å; S412-L441 PolarHBondContact O-N 2.85Å; S412-M492 WeakPolarHBondContact OG-CB 3.31Å; S412-M492 WeakPolarHBondContact OG-CG 3.29Å; S412-M492 PolarHBondContact OG-SD 3.4Å
413	L	98.7	Very high	98.6	Very high	67 Å²	67	41.1 Å²	41.1	35%	0.351	22%	0.215	S	C	.	.	H	α-helix	trans	-67	-53.3	172.8	178.1	62.3	0	0	0	111.4	Q409 K410 N411 T417	Q409-L413 PolarHBondContact O-N 3.09Å; K410-L413 WeakPolarHBondContact O-CB 3.42Å; K410-L413 PolarHBondContact O-N 2.97Å; K410-L413 VanDerWaalsContact O-N 3.08Å; N411-L413 VanDerWaalsContact C-N 3.32Å; N411-L413 PolarHBondContact O-N 3.36Å; L413-T417 WeakPolarHBondContact O-CB 3.44Å; L413-T417 PolarHBondContact O-N 2.96Å; L413-T417 PolarHBondContact O-OG1 2.75Å
414	D	98.8	Very high	98.6	Very high	72 Å²	72	41.6 Å²	41.6	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-69.5	-57	-170.6	-63.2	-17.4	0	0	0	111.6	K410 N411 T417 Y418	K410-D414 WeakPolarHBondContact CE-OD2 3.26Å; K410-D414 WeakPolarHBondContact CG-OD2 3.37Å; K410-D414 VanDerWaalsContact NZ-CG 3.29Å; K410-D414 IonicContact NZ-OD1 2.79Å; K410-D414 PolarHBondContact NZ-OD1 3.23Å; K410-D414 VanDerWaalsContact NZ-OD1 3.13Å; K410-D414 IonicContact NZ-OD2 3.42Å; K410-D414 PolarHBondContact NZ-OD2 2.95Å; K410-D414 PolarHBondContact O-N 3.39Å; N411-D414 PolarHBondContact O-N 3.2Å; D414-T417 PolarHBondContact O-N 3.2Å; D414-Y418 WeakPolarHBondContact O-CB 3.35Å; D414-Y418 PolarHBondContact O-N 2.69Å
415	V	98.9	Very high	98.6	Very high	10 Å²	10	39.5 Å²	39.5	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-71.2	-34.4	-178.9	-179.4	0	0	0	0	111.2	N411 Y418 L419 L441 I494 A499	N411-V415 WeakPolarHBondContact O-CB 3.47Å; N411-V415 PolarHBondContact O-N 3.01Å; N411-V415 WeakPolarHBondContact OD1-CG2 3.34Å; V415-Y418 PolarHBondContact O-N 2.69Å; V415-L419 HydrophobicContact CG1-CD1 4.19Å; V415-L419 HydrophobicContact CG1-CG 4.42Å; V415-L419 WeakPolarHBondContact O-CB 3.35Å; V415-L419 WeakPolarHBondContact O-CG 3.47Å; V415-L419 PolarHBondContact O-N 3.38Å; V415-L441 HydrophobicContact CG1-CD2 4.45Å; V415-I494 HydrophobicContact CG1-CG2 4.21Å; V415-A499 HydrophobicContact CG1-CB 3.94Å
416	G	98.6	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-42.5	174.6	0	0	0	0	0	113.1	S412 M420 G440	S412-G416 WeakPolarHBondContact O-CA 3.42Å; S412-G416 PolarHBondContact O-N 3.19Å; G416-M420 WeakPolarHBondContact O-CE 3.39Å; G416-M420 WeakPolarHBondContact O-CG 3.5Å; G416-M420 PolarHBondContact O-N 3.09Å; G416-G440 WeakPolarHBondContact CA-O 3.34Å
417	T	98.6	Very high	98.6	Very high	45 Å²	45	30.8 Å²	30.8	28%	0.276	16%	0.162	S	C	.	.	H	α-helix	trans	-65.3	-41.4	174.4	-60.4	0	0	0	0	111.3	P251 L413 D414 T421	P251-T417 HydrophobicContact CB-CG2 4.01Å; P251-T417 HydrophobicContact CG-CG2 4.07Å; L413-T417 WeakPolarHBondContact O-CB 3.44Å; L413-T417 PolarHBondContact O-N 2.96Å; L413-T417 PolarHBondContact O-OG1 2.75Å; D414-T417 PolarHBondContact O-N 3.2Å; T417-T421 WeakPolarHBondContact O-CB 3.37Å; T417-T421 PolarHBondContact O-N 2.8Å; T417-T421 PolarHBondContact O-OG1 3.45Å
418	Y	98.8	Very high	98.6	Very high	35 Å²	35	33.9 Å²	33.9	14%	0.137	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-53.5	175.1	175.3	-112.9	0	0	0	111.9	R43 D414 V415 M420 T421 E422 K496 A499 D500 L503	R43-Y418 PolarHBondContact NH1-OH 3.04Å; D414-Y418 WeakPolarHBondContact O-CB 3.35Å; D414-Y418 PolarHBondContact O-N 2.69Å; V415-Y418 PolarHBondContact O-N 2.69Å; Y418-M420 PolarHBondContact O-N 2.78Å; Y418-T421 PolarHBondContact O-N 3.27Å; Y418-T421 VanDerWaalsContact O-N 3.13Å; Y418-E422 HydrophobicContact CD2-CG 4.08Å; Y418-E422 HydrophobicContact CE1-CG 4.42Å; Y418-E422 HydrophobicContact CE2-CG 3.41Å; Y418-E422 VanDerWaalsContact CE2-CG 3.41Å; Y418-E422 PolarHBondContact O-N 2.83Å; Y418-K496 HydrophobicContact CD1-CG 3.96Å; Y418-K496 HydrophobicContact CE1-CG 3.89Å; Y418-A499 HydrophobicContact CD1-CB 4.14Å; Y418-A499 HydrophobicContact CE1-CB 4.17Å; Y418-D500 VanDerWaalsContact CE1-OD1 3.24Å; Y418-D500 WeakPolarHBondContact CE1-OD1 3.13Å; Y418-D500 VanDerWaalsContact CZ-OD1 3.25Å; Y418-D500 PolarHBondContact OH-OD1 3.15Å; Y418-L503 HydrophobicContact CE1-CD1 3.91Å
419	L	98.7	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.2	-49.6	177.1	-84.1	171.2	0	0	0	112.5	V415 T421 E422 L423 L441 I443 A499 F502 L503	V415-L419 HydrophobicContact CG1-CD1 4.19Å; V415-L419 HydrophobicContact CG1-CG 4.42Å; V415-L419 WeakPolarHBondContact O-CB 3.35Å; V415-L419 WeakPolarHBondContact O-CG 3.47Å; V415-L419 PolarHBondContact O-N 3.38Å; L419-T421 VanDerWaalsContact C-N 3.31Å; L419-T421 PolarHBondContact O-N 3.49Å; L419-E422 PolarHBondContact O-N 2.85Å; L419-L423 VanDerWaalsContact O-CB 3.28Å; L419-L423 WeakPolarHBondContact O-CB 3.46Å; L419-L423 WeakPolarHBondContact O-CD1 3.42Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 3.18Å; L419-L441 HydrophobicContact CD1-CD2 3.84Å; L419-I443 HydrophobicContact CB-CD1 3.76Å; L419-I443 HydrophobicContact CD1-CD1 4.25Å; L419-A499 HydrophobicContact CD1-CB 4.25Å; L419-A499 HydrophobicContact CD2-CB 3.55Å; L419-A499 HydrophobicContact CG-CB 3.74Å; L419-F502 HydrophobicContact CD2-CD1 3.7Å; L419-F502 HydrophobicContact CD2-CE1 4.12Å; L419-L503 HydrophobicContact CD2-CD1 4.29Å; L419-L503 HydrophobicContact CD2-CD2 4.41Å; L419-L503 HydrophobicContact CD2-CG 4.11Å
420	M	98.6	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-42.1	178.4	-73.7	-173.5	-77.1	0	0	112	P251 V252 G416 Y418 L423 A424 V436 G438 I443	P251-M420 HydrophobicContact CG-CE 4.06Å; V252-M420 HydrophobicContact CG2-CB 3.84Å; V252-M420 WeakPolarHBondContact CG2-O 3.41Å; G416-M420 WeakPolarHBondContact O-CE 3.39Å; G416-M420 WeakPolarHBondContact O-CG 3.5Å; G416-M420 PolarHBondContact O-N 3.09Å; Y418-M420 PolarHBondContact O-N 2.78Å; M420-L423 PolarHBondContact O-N 3.13Å; M420-A424 WeakPolarHBondContact O-CB 3.46Å; M420-A424 PolarHBondContact O-N 3.26Å; M420-V436 HydrophobicContact CB-CG1 4.49Å; M420-G438 VanDerWaalsContact SD-C 3.51Å; M420-G438 VanDerWaalsContact SD-O 3.41Å; M420-I443 HydrophobicContact CG-CB 4.44Å; M420-I443 HydrophobicContact CG-CD1 3.68Å; M420-I443 HydrophobicContact CG-CG1 3.63Å; M420-I443 HydrophobicContact CG-CG2 4.01Å; M420-I443 HydrophobicContact SD-CG1 4.09Å
421	T	98.6	Very high	98.4	Very high	59 Å²	59	34.5 Å²	34.5	36%	0.362	18%	0.175	S	C	.	.	H	α-helix	trans	-65.4	-43.4	-177.8	-55.1	0	0	0	0	111.7	T417 Y418 L419 A424 K425	T417-T421 WeakPolarHBondContact O-CB 3.37Å; T417-T421 PolarHBondContact O-N 2.8Å; T417-T421 PolarHBondContact O-OG1 3.45Å; Y418-T421 PolarHBondContact O-N 3.27Å; Y418-T421 VanDerWaalsContact O-N 3.13Å; L419-T421 VanDerWaalsContact C-N 3.31Å; L419-T421 PolarHBondContact O-N 3.49Å; T421-A424 WeakPolarHBondContact O-CB 3.29Å; T421-A424 PolarHBondContact O-N 3.35Å; T421-K425 PolarHBondContact O-N 2.98Å
422	E	98.6	Very high	98.4	Very high	23 Å²	23	33 Å²	33	11%	0.107	17%	0.167	C	C	.	.	H	α-helix	trans	-72.5	-39.1	177.2	-62.7	-56.4	127.4	0	0	112.4	Y418 L419 A424 K425 L426 L503	Y418-E422 HydrophobicContact CD2-CG 4.08Å; Y418-E422 HydrophobicContact CE1-CG 4.42Å; Y418-E422 HydrophobicContact CE2-CG 3.41Å; Y418-E422 VanDerWaalsContact CE2-CG 3.41Å; Y418-E422 PolarHBondContact O-N 2.83Å; L419-E422 PolarHBondContact O-N 2.85Å; E422-A424 PolarHBondContact O-N 2.86Å; E422-K425 WeakPolarHBondContact O-CB 3.12Å; E422-K425 PolarHBondContact O-N 3.07Å; E422-K425 WeakPolarHBondContact OE1-CE 3.22Å; E422-K425 IonicContact OE1-NZ 2.67Å; E422-K425 PolarHBondContact OE1-NZ 3.13Å; E422-K425 WeakPolarHBondContact OE2-CD 3.46Å; E422-K425 WeakPolarHBondContact OE2-CE 3.28Å; E422-K425 IonicContact OE2-NZ 3.11Å; E422-K425 PolarHBondContact OE2-NZ 2.99Å; E422-L426 PolarHBondContact O-N 3.4Å; E422-L503 HydrophobicContact CB-CD1 3.52Å; E422-L503 HydrophobicContact CB-CD2 3.67Å; E422-L503 HydrophobicContact CB-CG 4.24Å; E422-L503 HydrophobicContact CG-CD1 3.84Å
423	L	98.8	Very high	98.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-34.3	171.6	-73.9	169.3	0	0	0	111.7	L419 M420 K425 L426 R427 V436 I443 V445 F502 L503 F506	L419-L423 VanDerWaalsContact O-CB 3.28Å; L419-L423 WeakPolarHBondContact O-CB 3.46Å; L419-L423 WeakPolarHBondContact O-CD1 3.42Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 3.18Å; M420-L423 PolarHBondContact O-N 3.13Å; L423-K425 VanDerWaalsContact C-N 3.31Å; L423-K425 PolarHBondContact O-N 3.41Å; L423-L426 HydrophobicContact CD2-CD1 4.28Å; L423-L426 WeakPolarHBondContact O-CB 3.45Å; L423-L426 PolarHBondContact O-N 2.88Å; L423-L426 VanDerWaalsContact O-N 3.15Å; L423-R427 PolarHBondContact O-N 3.05Å; L423-V436 HydrophobicContact CB-CG1 3.69Å; L423-V436 HydrophobicContact CB-CG2 4.03Å; L423-V436 HydrophobicContact CD1-CG1 4.49Å; L423-I443 HydrophobicContact CD1-CG2 4.01Å; L423-V445 HydrophobicContact CD1-CG2 3.79Å; L423-V445 HydrophobicContact CD2-CG2 4.1Å; L423-V445 HydrophobicContact CG-CG2 4.41Å; L423-F502 HydrophobicContact CD1-CE1 4.3Å; L423-F502 HydrophobicContact CD2-CE1 4.14Å; L423-F502 HydrophobicContact CD2-CZ 4.31Å; L423-L503 HydrophobicContact CD2-CD2 3.94Å; L423-L503 HydrophobicContact CG-CD2 3.85Å; L423-F506 HydrophobicContact CD2-CD1 3.87Å; L423-F506 HydrophobicContact CD2-CE1 4.18Å
424	A	98.6	Very high	98.3	Very high	10 Å²	10	29.8 Å²	29.8	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-64.8	-32.7	175.4	0	0	0	0	0	112.7	V252 M420 T421 E422 L426 R427 D428	V252-A424 HydrophobicContact CB-CB 4.46Å; V252-A424 HydrophobicContact CG1-CB 3.68Å; V252-A424 HydrophobicContact CG2-CB 3.86Å; M420-A424 WeakPolarHBondContact O-CB 3.46Å; M420-A424 PolarHBondContact O-N 3.26Å; T421-A424 WeakPolarHBondContact O-CB 3.29Å; T421-A424 PolarHBondContact O-N 3.35Å; E422-A424 PolarHBondContact O-N 2.86Å; A424-L426 VanDerWaalsContact C-N 3.33Å; A424-R427 WeakPolarHBondContact O-CB 3.41Å; A424-R427 PolarHBondContact O-N 3.4Å; A424-D428 PolarHBondContact O-N 2.86Å
425	K	98.5	Very high	98.3	Very high	44 Å²	44	26.4 Å²	26.4	19%	0.191	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-36.8	171.7	-55.9	178.2	-173.2	167.6	0	111.7	L42 T421 E422 L423 D428 K429	L42-K425 HydrophobicContact CD2-CB 3.61Å; L42-K425 HydrophobicContact CD2-CD 4.45Å; T421-K425 PolarHBondContact O-N 2.98Å; E422-K425 WeakPolarHBondContact O-CB 3.12Å; E422-K425 PolarHBondContact O-N 3.07Å; E422-K425 WeakPolarHBondContact OE1-CE 3.22Å; E422-K425 IonicContact OE1-NZ 2.67Å; E422-K425 PolarHBondContact OE1-NZ 3.13Å; E422-K425 WeakPolarHBondContact OE2-CD 3.46Å; E422-K425 WeakPolarHBondContact OE2-CE 3.28Å; E422-K425 IonicContact OE2-NZ 3.11Å; E422-K425 PolarHBondContact OE2-NZ 2.99Å; L423-K425 VanDerWaalsContact C-N 3.31Å; L423-K425 PolarHBondContact O-N 3.41Å; K425-D428 PolarHBondContact O-N 3.4Å; K425-K429 PolarHBondContact O-N 3.31Å
426	L	98.4	Very high	98.3	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-40.1	173	-56.8	-177.9	0	0	0	111.2	L42 E422 L423 A424 D428 K429 Y430 I433 F506 N507	L42-L426 HydrophobicContact CD1-CD2 4.02Å; L42-L426 HydrophobicContact CD2-CD2 3.78Å; E422-L426 PolarHBondContact O-N 3.4Å; L423-L426 HydrophobicContact CD2-CD1 4.28Å; L423-L426 WeakPolarHBondContact O-CB 3.45Å; L423-L426 PolarHBondContact O-N 2.88Å; L423-L426 VanDerWaalsContact O-N 3.15Å; A424-L426 VanDerWaalsContact C-N 3.33Å; L426-D428 VanDerWaalsContact C-N 3.29Å; L426-D428 PolarHBondContact O-N 2.9Å; L426-K429 PolarHBondContact O-N 2.97Å; L426-Y430 HydrophobicContact CB-CD2 4.32Å; L426-Y430 HydrophobicContact CD2-CE2 4.24Å; L426-Y430 VanDerWaalsContact O-CD2 3.31Å; L426-Y430 WeakPolarHBondContact O-CD2 3.26Å; L426-Y430 PolarHBondContact O-N 3.22Å; L426-I433 HydrophobicContact CB-CD1 4.09Å; L426-F506 HydrophobicContact CD1-CD1 3.89Å; L426-N507 HydrophobicContact CD1-CB 4.06Å; L426-N507 HydrophobicContact CD2-CB 3.84Å; L426-N507 WeakPolarHBondContact CD2-OD1 3.48Å
427	R	98.4	Very high	98.3	Very high	20 Å²	20	26 Å²	26	8%	0.075	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-42.1	170.3	-180	-152.7	65.2	-163.5	-4.5	112.5	Q253 L423 A424 K429 Y430 I433 V436 K451	Q253-R427 PolarHBondContact O-NH1 3.47Å; L423-R427 PolarHBondContact O-N 3.05Å; A424-R427 WeakPolarHBondContact O-CB 3.41Å; A424-R427 PolarHBondContact O-N 3.4Å; R427-K429 VanDerWaalsContact C-N 3.33Å; R427-Y430 VanDerWaalsContact O-O 3.05Å; R427-I433 HydrophobicContact CB-CB 4.27Å; R427-I433 HydrophobicContact CB-CG2 3.62Å; R427-I433 HydrophobicContact CG-CB 4.47Å; R427-I433 HydrophobicContact CG-CG2 3.93Å; R427-I433 VanDerWaalsContact CG-O 3.26Å; R427-I433 WeakPolarHBondContact CG-O 3.34Å; R427-V436 HydrophobicContact CB-CG2 4.01Å; R427-K451 VanDerWaalsContact O-CE 3.24Å; R427-K451 WeakPolarHBondContact O-CE 3.41Å; R427-K451 PolarHBondContact O-NZ 3.18Å
428	D	97.8	Very high	98.2	Very high	96 Å²	96	23.9 Å²	23.9	51%	0.513	12%	0.116	S	C	.	.	H	α-helix	trans	-74.7	-26.3	-177.6	-63.7	-17.9	0	0	0	111.9	A424 K425 L426	A424-D428 PolarHBondContact O-N 2.86Å; K425-D428 PolarHBondContact O-N 3.4Å; L426-D428 VanDerWaalsContact C-N 3.29Å; L426-D428 PolarHBondContact O-N 2.9Å
429	K	97.3	Very high	98.1	Very high	96 Å²	96	23.5 Å²	23.5	42%	0.417	12%	0.115	S	C	.	.	H	α-helix	trans	-77.6	-48.9	171.7	178.6	178.3	174.1	-166.3	0	114.1	L42 K425 L426 R427	L42-K429 HydrophobicContact CD1-CD 3.44Å; L42-K429 VanDerWaalsContact CD1-CD 3.44Å; K425-K429 PolarHBondContact O-N 3.31Å; L426-K429 PolarHBondContact O-N 2.97Å; R427-K429 VanDerWaalsContact C-N 3.33Å
430	Y	97.8	Very high	98.1	Very high	13 Å²	13	23.7 Å²	23.7	5%	0.051	12%	0.117	C	C	.	.			trans	-100.9	133.9	-168.7	-64.2	-71.1	0	0	0	111.9	L426 R427 I432 I433 K451 N507 V510 H511 M514	L426-Y430 HydrophobicContact CB-CD2 4.32Å; L426-Y430 HydrophobicContact CD2-CE2 4.24Å; L426-Y430 VanDerWaalsContact O-CD2 3.31Å; L426-Y430 WeakPolarHBondContact O-CD2 3.26Å; L426-Y430 PolarHBondContact O-N 3.22Å; R427-Y430 VanDerWaalsContact O-O 3.05Å; Y430-I432 VanDerWaalsContact C-N 3.34Å; Y430-I432 PolarHBondContact O-N 2.92Å; Y430-I433 HydrophobicContact CD2-CD1 4.18Å; Y430-I433 PolarHBondContact O-N 2.96Å; Y430-K451 VanDerWaalsContact O-CE 3.28Å; Y430-K451 WeakPolarHBondContact O-CE 3.11Å; Y430-K451 PolarHBondContact O-NZ 3.43Å; Y430-N507 PolarHBondContact OH-OD1 3.19Å; Y430-N507 VanDerWaalsContact OH-OD1 3.1Å; Y430-V510 HydrophobicContact CD1-CG1 3.74Å; Y430-V510 HydrophobicContact CD2-CB 4.45Å; Y430-V510 HydrophobicContact CD2-CG1 3.52Å; Y430-V510 HydrophobicContact CE1-CG1 3.99Å; Y430-V510 HydrophobicContact CE2-CB 4.38Å; Y430-V510 HydrophobicContact CE2-CG1 3.8Å; Y430-V510 HydrophobicContact CG-CG1 3.49Å; Y430-V510 VanDerWaalsContact CG-CG1 3.49Å; Y430-H511 WeakPolarHBondContact OH-CB 3.31Å; Y430-M514 HydrophobicContact CD1-CG 3.97Å; Y430-M514 HydrophobicContact CE1-CG 4.24Å
431	E	96.6	Very high	98.1	Very high	83 Å²	83	23.7 Å²	23.7	39%	0.388	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.4	-177	-166.5	52.2	-156.5	0	0	113.5	I433 D450 K451	E431-I433 PolarHBondContact O-N 2.8Å; E431-D450 HydrophobicContact CG-CB 4.3Å; E431-K451 VanDerWaalsContact OE1-CB 3.24Å; E431-K451 WeakPolarHBondContact OE1-CB 3.38Å; E431-K451 WeakPolarHBondContact OE1-CG 3.14Å; E431-K451 PolarHBondContact OE1-N 2.76Å; E431-K451 VanDerWaalsContact OE2-CD 3.29Å; E431-K451 WeakPolarHBondContact OE2-CD 3.43Å; E431-K451 WeakPolarHBondContact OE2-CE 3.35Å; E431-K451 IonicContact OE2-NZ 3.67Å; E431-K451 PolarHBondContact OE2-NZ 3.5Å
432	I	98	Very high	98.1	Very high	11 Å²	11	20.9 Å²	20.9	6%	0.056	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.3	178.8	68.5	170.7	0	0	0	114.6	Y430 M447 V448 L457 I465 V510 Y513 M514	Y430-I432 VanDerWaalsContact C-N 3.34Å; Y430-I432 PolarHBondContact O-N 2.92Å; I432-M447 HydrophobicContact CB-CE 4.47Å; I432-M447 HydrophobicContact CD1-CE 3.74Å; I432-M447 HydrophobicContact CG1-CE 3.81Å; I432-M447 CarbonylContact O-C 3.5Å; I432-M447 VanDerWaalsContact O-CA 3.28Å; I432-M447 WeakPolarHBondContact O-CA 3.32Å; I432-V448 CarbonylContact C-O 3.34Å; I432-V448 WeakPolarHBondContact CA-O 3.29Å; I432-V448 WeakPolarHBondContact CB-O 3.44Å; I432-V448 PolarHBondContact O-N 2.97Å; I432-L457 HydrophobicContact CB-CD1 4.36Å; I432-L457 HydrophobicContact CG2-CD1 4.31Å; I432-I465 HydrophobicContact CD1-CD1 3.89Å; I432-V510 HydrophobicContact CD1-CG1 4.17Å; I432-V510 HydrophobicContact CG1-CG1 4.45Å; I432-Y513 HydrophobicContact CD1-CD1 3.53Å; I432-Y513 HydrophobicContact CD1-CE1 3.49Å; I432-Y513 VanDerWaalsContact CD1-CE1 3.49Å; I432-Y513 HydrophobicContact CG2-CE1 4.34Å; I432-M514 HydrophobicContact CD1-SD 3.92Å; I432-M514 HydrophobicContact CG1-SD 4.15Å; I432-M514 HydrophobicContact CG2-SD 3.86Å
433	I	98.7	Very high	98.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107.6	176.3	-56.9	176.8	0	0	0	107.4	L426 R427 Y430 E431 V436 V445 M447 K451 F506 V510	L426-I433 HydrophobicContact CB-CD1 4.09Å; R427-I433 HydrophobicContact CB-CB 4.27Å; R427-I433 HydrophobicContact CB-CG2 3.62Å; R427-I433 HydrophobicContact CG-CB 4.47Å; R427-I433 HydrophobicContact CG-CG2 3.93Å; R427-I433 VanDerWaalsContact CG-O 3.26Å; R427-I433 WeakPolarHBondContact CG-O 3.34Å; Y430-I433 HydrophobicContact CD2-CD1 4.18Å; Y430-I433 PolarHBondContact O-N 2.96Å; E431-I433 PolarHBondContact O-N 2.8Å; I433-V436 HydrophobicContact CG2-CG2 4.24Å; I433-V445 HydrophobicContact CG2-CG1 3.76Å; I433-M447 HydrophobicContact CG1-CE 3.81Å; I433-M447 HydrophobicContact CG1-SD 3.99Å; I433-K451 WeakPolarHBondContact O-CE 3.38Å; I433-F506 HydrophobicContact CD1-CE1 4.23Å; I433-V510 HydrophobicContact CD1-CG1 4.28Å; I433-V510 HydrophobicContact CD1-CG2 4.32Å
434	G	98.2	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-41.8	-172.4	0	0	0	0	0	113.6	F238 E446	F238-G434 WeakPolarHBondContact CE2-O 3.42Å; G434-E446 PolarHBondContact N-O 2.88Å
435	D	98.4	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149	-178.3	-173.7	40.9	0	0	0	112.1	F238 R248 R437 E446	F238-D435 HydrophobicContact CB-CB 4.16Å; F238-D435 HydrophobicContact CD1-CB 3.68Å; F238-D435 HydrophobicContact CD2-CB 3.77Å; F238-D435 HydrophobicContact CE1-CB 3.95Å; F238-D435 HydrophobicContact CE2-CB 4.02Å; F238-D435 HydrophobicContact CG-CB 3.56Å; F238-D435 HydrophobicContact CZ-CB 4.11Å; R248-D435 IonicContact CZ-OD1 3.68Å; R248-D435 IonicContact CZ-OD2 2.72Å; R248-D435 IonicContact NH1-OD1 2.88Å; R248-D435 PolarHBondContact NH1-OD1 3Å; R248-D435 VanDerWaalsContact NH1-OD1 3.15Å; R248-D435 IonicContact NH1-OD2 2.76Å; R248-D435 PolarHBondContact NH1-OD2 3.15Å; R248-D435 IonicContact NH2-OD1 2.83Å; R248-D435 PolarHBondContact NH2-OD1 3Å; R248-D435 IonicContact NH2-OD2 2.96Å; D435-R437 WeakPolarHBondContact OD2-CD 3.34Å; D435-R437 IonicContact OD2-CZ 3.77Å; D435-R437 IonicContact OD2-NH1 3.19Å; D435-R437 PolarHBondContact OD2-NH1 2.95Å; D435-E446 HydrophobicContact CB-CB 4.4Å; D435-E446 PolarHBondContact O-N 2.85Å
436	V	98.6	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.8	172.2	170.6	0	0	0	0	106.6	R248 V252 M420 L423 R427 I433 V445	R248-V436 PolarHBondContact NH2-O 3.02Å; V252-V436 HydrophobicContact CG1-CB 4.27Å; V252-V436 HydrophobicContact CG1-CG1 4.49Å; V252-V436 VanDerWaalsContact CG1-O 3.24Å; V252-V436 WeakPolarHBondContact CG1-O 3.34Å; M420-V436 HydrophobicContact CB-CG1 4.49Å; L423-V436 HydrophobicContact CB-CG1 3.69Å; L423-V436 HydrophobicContact CB-CG2 4.03Å; L423-V436 HydrophobicContact CD1-CG1 4.49Å; R427-V436 HydrophobicContact CB-CG2 4.01Å; I433-V436 HydrophobicContact CG2-CG2 4.24Å; V436-V445 HydrophobicContact CG2-CG1 4.2Å; V436-V445 HydrophobicContact CG2-CG2 4.37Å
437	R	97.8	Very high	98.1	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.008	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156	-170.6	60.9	175	172	-95.4	4.6	112.8	G300 A301 D435 I443 G444 E446	G300-R437 PolarHBondContact O-NE 2.85Å; G300-R437 PolarHBondContact O-NH2 3.02Å; G300-R437 VanDerWaalsContact O-NH2 3.09Å; A301-R437 HydrophobicContact CB-CG 4.41Å; A301-R437 WeakPolarHBondContact O-CD 3.37Å; A301-R437 PolarHBondContact O-NE 3.46Å; D435-R437 WeakPolarHBondContact OD2-CD 3.34Å; D435-R437 IonicContact OD2-CZ 3.77Å; D435-R437 IonicContact OD2-NH1 3.19Å; D435-R437 PolarHBondContact OD2-NH1 2.95Å; R437-I443 CarbonylContact O-C 3.52Å; R437-I443 WeakPolarHBondContact O-CA 3.45Å; R437-G444 PolarHBondContact N-O 3.28Å; R437-G444 PolarHBondContact O-N 3.11Å; R437-E446 IonicContact CZ-OE2 3.99Å; R437-E446 IonicContact NH1-OE2 3.68Å; R437-E446 PolarHBondContact NH1-OE2 3.16Å; R437-E446 IonicContact NH2-OE2 3.74Å; R437-E446 PolarHBondContact NH2-OE2 2.92Å
438	G	96.9	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-177.1	173.5	0	0	0	0	0	111.7	S250 Q303 M420 Q442	S250-G438 PolarHBondContact OG-O 2.67Å; Q303-G438 PolarHBondContact NE2-O 2.96Å; Q303-G438 VanDerWaalsContact NE2-O 3.13Å; Q303-G438 PolarHBondContact OE1-O 2.84Å; M420-G438 VanDerWaalsContact SD-C 3.51Å; M420-G438 VanDerWaalsContact SD-O 3.41Å; G438-Q442 WeakPolarHBondContact CA-O 3.41Å
439	K	97.3	Very high	98.1	Very high	28 Å²	28	16.3 Å²	16.3	12%	0.122	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.1	157.5	-72.9	-168.4	171.5	-170.1	0	107.5	D249 L295 T335 G344 L441 Q442	D249-K439 WeakPolarHBondContact O-CE 2.93Å; D249-K439 WeakPolarHBondContact OD2-CE 3.4Å; D249-K439 IonicContact OD2-NZ 2.83Å; D249-K439 PolarHBondContact OD2-NZ 3.16Å; L295-K439 HydrophobicContact CD1-CB 4.35Å; L295-K439 HydrophobicContact CD1-CG 4.45Å; T335-K439 HydrophobicContact CG2-CB 4.27Å; G344-K439 PolarHBondContact O-NZ 3.05Å; K439-L441 PolarHBondContact O-N 2.81Å; K439-Q442 PolarHBondContact O-N 3.39Å; K439-Q442 VanDerWaalsContact O-N 3.11Å
440	G	98.1	Very high	98	Very high	3 Å²	3	14 Å²	14	3%	0.031	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-135.1	-175.2	0	0	0	0	0	113.2	T335 S412 G416 Q442 I443	T335-G440 PolarHBondContact O-N 3.46Å; S412-G440 CarbonylContact O-C 3.49Å; S412-G440 WeakPolarHBondContact O-CA 3.43Å; G416-G440 WeakPolarHBondContact CA-O 3.34Å; G440-Q442 PolarHBondContact O-N 3.28Å; G440-I443 WeakPolarHBondContact O-CG1 3.32Å
441	L	98.6	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	35.7	177.1	-67.4	170.5	0	0	0	112.6	R334 S412 V415 L419 K439 P490 M492 I494	R334-L441 WeakPolarHBondContact CD-O 3.4Å; R334-L441 PolarHBondContact NH1-O 2.76Å; R334-L441 PolarHBondContact O-N 3.4Å; R334-L441 VanDerWaalsContact O-N 3.07Å; S412-L441 PolarHBondContact O-N 2.85Å; V415-L441 HydrophobicContact CG1-CD2 4.45Å; L419-L441 HydrophobicContact CD1-CD2 3.84Å; K439-L441 PolarHBondContact O-N 2.81Å; L441-P490 HydrophobicContact CB-CG 4.38Å; L441-P490 HydrophobicContact CD1-CG 4.32Å; L441-P490 HydrophobicContact CD2-CG 3.87Å; L441-P490 HydrophobicContact CG-CG 4.42Å; L441-M492 HydrophobicContact CD1-CB 4.43Å; L441-I494 HydrophobicContact CD1-CG2 3.64Å; L441-I494 HydrophobicContact CD2-CG2 4.06Å
442	Q	97.8	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	76.1	169.7	-164	170.9	-28.3	0	0	111	L295 Q329 T330 R334 G438 K439 G440 K489	L295-Q442 HydrophobicContact CD2-CB 4.4Å; L295-Q442 HydrophobicContact CD2-CG 3.75Å; L295-Q442 VanDerWaalsContact CD2-NE2 3.27Å; L295-Q442 PolarHBondContact O-NE2 3.13Å; Q329-Q442 PolarHBondContact O-OE1 2.96Å; T330-Q442 VanDerWaalsContact CA-OE1 3.31Å; R334-Q442 HydrophobicContact CG-CB 4Å; G438-Q442 WeakPolarHBondContact CA-O 3.41Å; K439-Q442 PolarHBondContact O-N 3.39Å; K439-Q442 VanDerWaalsContact O-N 3.11Å; G440-Q442 PolarHBondContact O-N 3.28Å; Q442-K489 HydrophobicContact CG-CD 4.32Å; Q442-K489 HydrophobicContact CG-CG 4.43Å
443	I	98.7	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151.4	-167	-57.4	166.8	0	0	0	110.6	L419 M420 L423 R437 G440 I488 K489	L419-I443 HydrophobicContact CB-CD1 3.76Å; L419-I443 HydrophobicContact CD1-CD1 4.25Å; M420-I443 HydrophobicContact CG-CB 4.44Å; M420-I443 HydrophobicContact CG-CD1 3.68Å; M420-I443 HydrophobicContact CG-CG1 3.63Å; M420-I443 HydrophobicContact CG-CG2 4.01Å; M420-I443 HydrophobicContact SD-CG1 4.09Å; L423-I443 HydrophobicContact CD1-CG2 4.01Å; R437-I443 CarbonylContact O-C 3.52Å; R437-I443 WeakPolarHBondContact O-CA 3.45Å; G440-I443 WeakPolarHBondContact O-CG1 3.32Å; I443-I488 HydrophobicContact CB-CB 4.04Å; I443-I488 HydrophobicContact CG2-CB 4.33Å; I443-I488 PolarHBondContact N-O 2.88Å; I443-I488 PolarHBondContact O-N 3.03Å; I443-I488 VanDerWaalsContact O-N 3.07Å; I443-K489 PolarHBondContact O-NZ 2.86Å
444	G	98.4	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.8	170.9	0	0	0	0	0	110.9	R437 F486	R437-G444 PolarHBondContact N-O 3.28Å; R437-G444 PolarHBondContact O-N 3.11Å; G444-F486 VanDerWaalsContact CA-O 3.3Å; G444-F486 WeakPolarHBondContact CA-O 3.29Å
445	V	98.8	Very high	97.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.7	170.8	-175.8	0	0	0	0	107	L423 I433 V436 M447 I485 F486 F506	L423-V445 HydrophobicContact CD1-CG2 3.79Å; L423-V445 HydrophobicContact CD2-CG2 4.1Å; L423-V445 HydrophobicContact CG-CG2 4.41Å; I433-V445 HydrophobicContact CG2-CG1 3.76Å; V436-V445 HydrophobicContact CG2-CG1 4.2Å; V436-V445 HydrophobicContact CG2-CG2 4.37Å; V445-M447 HydrophobicContact CG1-SD 4.12Å; V445-I485 CarbonylContact O-C 3.41Å; V445-I485 WeakPolarHBondContact O-CA 3.33Å; V445-F486 HydrophobicContact CB-CB 4.32Å; V445-F486 PolarHBondContact N-O 3.31Å; V445-F486 PolarHBondContact O-N 3.44Å; V445-F506 HydrophobicContact CG1-CE1 4.12Å; V445-F506 HydrophobicContact CG1-CZ 4.01Å
446	E	98.6	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.6	-175.2	-178.5	152.6	-163.8	0	0	111.6	F238 R239 G434 D435 R437 V448 Q484 I485	F238-E446 HydrophobicContact CD1-CG 4.47Å; F238-E446 VanDerWaalsContact CD1-OE2 3.29Å; F238-E446 WeakPolarHBondContact CD1-OE2 3.47Å; F238-E446 HydrophobicContact CE1-CB 4.47Å; F238-E446 HydrophobicContact CE1-CG 3.99Å; R239-E446 IonicContact CZ-OE1 3.95Å; R239-E446 IonicContact NE-OE1 2.68Å; R239-E446 PolarHBondContact NE-OE1 3.34Å; R239-E446 IonicContact NH2-OE1 2.8Å; R239-E446 PolarHBondContact NH2-OE1 2.91Å; G434-E446 PolarHBondContact N-O 2.88Å; D435-E446 HydrophobicContact CB-CB 4.4Å; D435-E446 PolarHBondContact O-N 2.85Å; R437-E446 IonicContact CZ-OE2 3.99Å; R437-E446 IonicContact NH1-OE2 3.68Å; R437-E446 PolarHBondContact NH1-OE2 3.16Å; R437-E446 IonicContact NH2-OE2 3.74Å; R437-E446 PolarHBondContact NH2-OE2 2.92Å; E446-V448 HydrophobicContact CG-CG1 4.45Å; E446-Q484 HydrophobicContact CG-CG 4.24Å; E446-Q484 PolarHBondContact OE1-NE2 2.9Å; E446-I485 HydrophobicContact CB-CG1 3.92Å; E446-I485 HydrophobicContact CG-CD1 4.43Å; E446-I485 HydrophobicContact CG-CG1 3.84Å
447	M	98.8	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134	-179.7	-50.6	-55.7	-67.3	0	0	110.4	I432 I433 V445 L457 F462 I465 Q484 F486 F506	I432-M447 HydrophobicContact CB-CE 4.47Å; I432-M447 HydrophobicContact CD1-CE 3.74Å; I432-M447 HydrophobicContact CG1-CE 3.81Å; I432-M447 CarbonylContact O-C 3.5Å; I432-M447 VanDerWaalsContact O-CA 3.28Å; I432-M447 WeakPolarHBondContact O-CA 3.32Å; I433-M447 HydrophobicContact CG1-CE 3.81Å; I433-M447 HydrophobicContact CG1-SD 3.99Å; V445-M447 HydrophobicContact CG1-SD 4.12Å; M447-L457 HydrophobicContact CB-CB 3.7Å; M447-L457 HydrophobicContact CB-CD2 3.83Å; M447-L457 HydrophobicContact CB-CG 4.4Å; M447-L457 HydrophobicContact CE-CD2 4.27Å; M447-L457 HydrophobicContact CG-CD2 4.47Å; M447-L457 PolarHBondContact O-N 3.41Å; M447-F462 HydrophobicContact CB-CD2 3.96Å; M447-F462 HydrophobicContact CB-CE2 4.37Å; M447-F462 HydrophobicContact CG-CD2 3.67Å; M447-F462 HydrophobicContact CG-CE2 3.74Å; M447-I465 HydrophobicContact CE-CD1 3.92Å; M447-Q484 PolarHBondContact N-O 3.49Å; M447-F486 HydrophobicContact CE-CE2 4.43Å; M447-F486 HydrophobicContact CG-CD2 3.77Å; M447-F486 HydrophobicContact CG-CE2 3.62Å; M447-F486 HydrophobicContact SD-CD2 3.86Å; M447-F486 HydrophobicContact SD-CE2 3.86Å; M447-F506 HydrophobicContact SD-CZ 4.45Å
448	V	98.5	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-131.8	164.5	-178.5	-63	0	0	0	0	110.5	F238 I432 E446 D450 R454 D455 L457	F238-V448 HydrophobicContact CE1-CG1 4.25Å; F238-V448 HydrophobicContact CZ-CG1 4.14Å; I432-V448 CarbonylContact C-O 3.34Å; I432-V448 WeakPolarHBondContact CA-O 3.29Å; I432-V448 WeakPolarHBondContact CB-O 3.44Å; I432-V448 PolarHBondContact O-N 2.97Å; E446-V448 HydrophobicContact CG-CG1 4.45Å; V448-D450 WeakPolarHBondContact CG2-O 3.3Å; V448-R454 HydrophobicContact CG1-CB 4.48Å; V448-D455 CarbonylContact C-O 3.57Å; V448-D455 WeakPolarHBondContact CA-O 3.44Å; V448-D455 VanDerWaalsContact CB-O 3.27Å; V448-D455 WeakPolarHBondContact CB-O 3.09Å; V448-L457 WeakPolarHBondContact O-CD1 3.13Å
449	K	97.4	Very high	97.3	Very high	104 Å²	104	33 Å²	33	45%	0.452	18%	0.182	S	C	.	.	S	Bend	trans	-67.1	-46	167.1	-62.4	177.5	-167.8	159.4	0	110.9	D455	K449-D455 HydrophobicContact CB-CB 4.43Å; K449-D455 HydrophobicContact CD-CB 3.77Å; K449-D455 HydrophobicContact CG-CB 4.13Å; K449-D455 PolarHBondContact N-O 2.62Å; K449-D455 IonicContact NZ-OD2 3.52Å; K449-D455 PolarHBondContact NZ-OD2 3.2Å
450	D	95.9	Very high	97.3	Very high	49 Å²	49	37.8 Å²	37.8	26%	0.262	20%	0.204	S	C	.	.			trans	-156.9	161.7	177.7	71.1	90.6	0	0	0	110.2	E431 V448 T452 S453 R454	E431-D450 HydrophobicContact CG-CB 4.3Å; V448-D450 WeakPolarHBondContact CG2-O 3.3Å; D450-T452 VanDerWaalsContact C-N 3.3Å; D450-T452 PolarHBondContact O-N 3.1Å; D450-T452 VanDerWaalsContact OD1-CA 3.28Å; D450-T452 WeakPolarHBondContact OD1-CA 3.5Å; D450-T452 WeakPolarHBondContact OD1-CB 3.47Å; D450-T452 PolarHBondContact OD1-N 2.82Å; D450-S453 VanDerWaalsContact CG-OG 3.25Å; D450-S453 PolarHBondContact OD1-N 2.98Å; D450-S453 PolarHBondContact OD1-OG 3.25Å; D450-S453 VanDerWaalsContact OD2-CB 3.31Å; D450-S453 WeakPolarHBondContact OD2-CB 3.27Å; D450-S453 PolarHBondContact OD2-OG 2.83Å; D450-R454 WeakPolarHBondContact O-CA 3.31Å; D450-R454 PolarHBondContact O-N 3.27Å
451	K	95.6	Very high	97.2	Very high	43 Å²	43	38 Å²	38	19%	0.187	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-14.1	-176.5	-64.3	170	-171	137.7	0	113.8	R427 Y430 E431 I433 R454	R427-K451 VanDerWaalsContact O-CE 3.24Å; R427-K451 WeakPolarHBondContact O-CE 3.41Å; R427-K451 PolarHBondContact O-NZ 3.18Å; Y430-K451 VanDerWaalsContact O-CE 3.28Å; Y430-K451 WeakPolarHBondContact O-CE 3.11Å; Y430-K451 PolarHBondContact O-NZ 3.43Å; E431-K451 VanDerWaalsContact OE1-CB 3.24Å; E431-K451 WeakPolarHBondContact OE1-CB 3.38Å; E431-K451 WeakPolarHBondContact OE1-CG 3.14Å; E431-K451 PolarHBondContact OE1-N 2.76Å; E431-K451 VanDerWaalsContact OE2-CD 3.29Å; E431-K451 WeakPolarHBondContact OE2-CD 3.43Å; E431-K451 WeakPolarHBondContact OE2-CE 3.35Å; E431-K451 IonicContact OE2-NZ 3.67Å; E431-K451 PolarHBondContact OE2-NZ 3.5Å; I433-K451 WeakPolarHBondContact O-CE 3.38Å; K451-R454 VanDerWaalsContact O-CG 3.31Å; K451-R454 WeakPolarHBondContact O-CG 3.14Å
452	T	93.8	Very high	97.2	Very high	125 Å²	125	38.3 Å²	38.3	77%	0.767	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-55.4	-178.3	-55	0	0	0	0	110.7	D450 R454	D450-T452 VanDerWaalsContact C-N 3.3Å; D450-T452 PolarHBondContact O-N 3.1Å; D450-T452 VanDerWaalsContact OD1-CA 3.28Å; D450-T452 WeakPolarHBondContact OD1-CA 3.5Å; D450-T452 WeakPolarHBondContact OD1-CB 3.47Å; D450-T452 PolarHBondContact OD1-N 2.82Å; T452-R454 VanDerWaalsContact C-N 3.32Å
453	S	95.3	Very high	97.2	Very high	47 Å²	47	39.7 Å²	39.7	33%	0.329	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-40.5	172.6	70.8	0	0	0	0	110.9	D450 D455	D450-S453 VanDerWaalsContact CG-OG 3.25Å; D450-S453 PolarHBondContact OD1-N 2.98Å; D450-S453 PolarHBondContact OD1-OG 3.25Å; D450-S453 VanDerWaalsContact OD2-CB 3.31Å; D450-S453 WeakPolarHBondContact OD2-CB 3.27Å; D450-S453 PolarHBondContact OD2-OG 2.83Å; S453-D455 PolarHBondContact O-N 2.78Å; S453-D455 PolarHBondContact OG-N 2.82Å
454	R	96.1	Very high	97.1	Very high	59 Å²	59	42.9 Å²	42.9	22%	0.223	23%	0.232	C	C	.	.			trans	58.7	17.4	-165	-53.5	164.3	-73.1	149.5	5.3	112.4	F238 R239 V448 D450 K451 T452	F238-R454 HydrophobicContact CE1-CB 4.46Å; F238-R454 HydrophobicContact CE2-CG 3.91Å; F238-R454 HydrophobicContact CZ-CB 4.02Å; F238-R454 HydrophobicContact CZ-CG 3.77Å; F238-R454 PolarHBondContact O-NH1 2.92Å; R239-R454 PolarHBondContact NH1-O 3.44Å; R239-R454 PolarHBondContact NH2-O 3.15Å; R239-R454 PolarHBondContact O-NH1 2.95Å; V448-R454 HydrophobicContact CG1-CB 4.48Å; D450-R454 WeakPolarHBondContact O-CA 3.31Å; D450-R454 PolarHBondContact O-N 3.27Å; K451-R454 VanDerWaalsContact O-CG 3.31Å; K451-R454 WeakPolarHBondContact O-CG 3.14Å; T452-R454 VanDerWaalsContact C-N 3.32Å
455	D	97.5	Very high	97.1	Very high	73 Å²	73	42.9 Å²	42.9	39%	0.39	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-56.7	138.7	175.8	-97.9	10.3	0	0	0	110	V448 K449 S453 L457	V448-D455 CarbonylContact C-O 3.57Å; V448-D455 WeakPolarHBondContact CA-O 3.44Å; V448-D455 VanDerWaalsContact CB-O 3.27Å; V448-D455 WeakPolarHBondContact CB-O 3.09Å; K449-D455 HydrophobicContact CB-CB 4.43Å; K449-D455 HydrophobicContact CD-CB 3.77Å; K449-D455 HydrophobicContact CG-CB 4.13Å; K449-D455 PolarHBondContact N-O 2.62Å; K449-D455 IonicContact NZ-OD2 3.52Å; K449-D455 PolarHBondContact NZ-OD2 3.2Å; S453-D455 PolarHBondContact O-N 2.78Å; S453-D455 PolarHBondContact OG-N 2.82Å; D455-L457 PolarHBondContact O-N 3.39Å
456	P	98.1	Very high	97.1	Very high	33 Å²	33	43.2 Å²	43.2	21%	0.214	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-51.7	137.1	174.3	-27.6	36.5	0	0	0	112.4	Y482 Q484	P456-Y482 HydrophobicContact CG-CD2 3.65Å; P456-Y482 HydrophobicContact CG-CE2 4.33Å; P456-Y482 HydrophobicContact CG-CG 3.75Å; P456-Q484 HydrophobicContact CB-CB 3.84Å; P456-Q484 HydrophobicContact CB-CG 3.98Å; P456-Q484 HydrophobicContact CG-CG 4.37Å
457	L	97.9	Very high	97.1	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-57.8	138.7	167.4	-171.6	70.8	0	0	0	109	I432 M447 V448 D455 D461 F462 I465	I432-L457 HydrophobicContact CB-CD1 4.36Å; I432-L457 HydrophobicContact CG2-CD1 4.31Å; M447-L457 HydrophobicContact CB-CB 3.7Å; M447-L457 HydrophobicContact CB-CD2 3.83Å; M447-L457 HydrophobicContact CB-CG 4.4Å; M447-L457 HydrophobicContact CE-CD2 4.27Å; M447-L457 HydrophobicContact CG-CD2 4.47Å; M447-L457 PolarHBondContact O-N 3.41Å; V448-L457 WeakPolarHBondContact O-CD1 3.13Å; D455-L457 PolarHBondContact O-N 3.39Å; L457-D461 HydrophobicContact CD1-CB 4.13Å; L457-D461 HydrophobicContact CD2-CB 4.03Å; L457-D461 HydrophobicContact CG-CB 3.82Å; L457-F462 HydrophobicContact CD2-CB 4.36Å; L457-I465 HydrophobicContact CD2-CD1 4.22Å
458	P	97.1	Very high	97.1	Very high	29 Å²	29	46.2 Å²	46.2	19%	0.188	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-54.8	144.2	-179.3	-27.4	35.9	0	0	0	113	E460 D461 F462	P458-E460 VanDerWaalsContact CB-CD 3.48Å; P458-E460 HydrophobicContact CB-CG 4.25Å; P458-E460 WeakPolarHBondContact CB-OE1 3.21Å; P458-E460 PolarHBondContact O-N 3.31Å; P458-D461 HydrophobicContact CB-CB 4.31Å; P458-D461 WeakPolarHBondContact CD-OD2 3.48Å; P458-D461 WeakPolarHBondContact CG-OD2 3.41Å; P458-D461 WeakPolarHBondContact O-CB 3.44Å; P458-D461 PolarHBondContact O-N 3.38Å; P458-D461 VanDerWaalsContact O-N 3.13Å; P458-F462 PolarHBondContact O-N 3.07Å
459	P	96.3	Very high	97.1	Very high	94 Å²	94	46.2 Å²	46.2	61%	0.61	25%	0.249	S	C	*	.	H	α-helix	trans	-57.7	-33.7	-176.5	-27.5	35.9	0	0	0	114.7	A463	P459-A463 WeakPolarHBondContact O-CB 3.48Å; P459-A463 PolarHBondContact O-N 3.17Å
460	E	95.9	Very high	97.1	Very high	127 Å²	127	41.8 Å²	41.8	59%	0.593	23%	0.23	S	C	*	.	H	α-helix	trans	-66.2	-43.9	176.2	58.6	-82.5	-161.5	0	0	112.2	P458 A463 E464	P458-E460 VanDerWaalsContact CB-CD 3.48Å; P458-E460 HydrophobicContact CB-CG 4.25Å; P458-E460 WeakPolarHBondContact CB-OE1 3.21Å; P458-E460 PolarHBondContact O-N 3.31Å; E460-A463 PolarHBondContact O-N 3.41Å; E460-E464 PolarHBondContact O-N 3.01Å
461	D	97.3	Very high	97.2	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-45.5	178.4	-66.2	-8.4	0	0	0	111	L457 P458 A463 E464 I465 Y513 R517	L457-D461 HydrophobicContact CD1-CB 4.13Å; L457-D461 HydrophobicContact CD2-CB 4.03Å; L457-D461 HydrophobicContact CG-CB 3.82Å; P458-D461 HydrophobicContact CB-CB 4.31Å; P458-D461 WeakPolarHBondContact CD-OD2 3.48Å; P458-D461 WeakPolarHBondContact CG-OD2 3.41Å; P458-D461 WeakPolarHBondContact O-CB 3.44Å; P458-D461 PolarHBondContact O-N 3.38Å; P458-D461 VanDerWaalsContact O-N 3.13Å; D461-A463 VanDerWaalsContact C-N 3.27Å; D461-A463 PolarHBondContact O-N 3.2Å; D461-E464 PolarHBondContact O-N 2.85Å; D461-I465 PolarHBondContact O-N 2.9Å; D461-Y513 HydrophobicContact CB-CE2 3.62Å; D461-Y513 WeakPolarHBondContact CB-OH 3.21Å; D461-Y513 VanDerWaalsContact CG-OH 3.31Å; D461-Y513 PolarHBondContact OD2-OH 3.01Å; D461-Y513 VanDerWaalsContact OD2-OH 3.07Å; D461-R517 IonicContact OD1-CZ 2.76Å; D461-R517 IonicContact OD1-NH1 2.62Å; D461-R517 IonicContact OD1-NH2 3.51Å; D461-R517 PolarHBondContact OD1-NH2 3.04Å; D461-R517 IonicContact OD2-CZ 3.88Å; D461-R517 IonicContact OD2-NH1 2.85Å; D461-R517 PolarHBondContact OD2-NH1 3.37Å; D461-R517 IonicContact OD2-NH2 3.2Å; D461-R517 PolarHBondContact OD2-NH2 3.09Å
462	F	98.2	Very high	97.3	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-39.8	173.1	-176.9	-82.6	0	0	0	111.4	M447 L457 P458 F466 K478 G483 Q484 F486	M447-F462 HydrophobicContact CB-CD2 3.96Å; M447-F462 HydrophobicContact CB-CE2 4.37Å; M447-F462 HydrophobicContact CG-CD2 3.67Å; M447-F462 HydrophobicContact CG-CE2 3.74Å; L457-F462 HydrophobicContact CD2-CB 4.36Å; P458-F462 PolarHBondContact O-N 3.07Å; F462-F466 WeakPolarHBondContact O-CB 3.48Å; F462-F466 PolarHBondContact O-N 3.47Å; F462-K478 HydrophobicContact CE1-CB 3.74Å; F462-K478 HydrophobicContact CE1-CD 4.17Å; F462-K478 HydrophobicContact CZ-CB 3.97Å; F462-G483 WeakPolarHBondContact CE1-O 3.43Å; F462-Q484 WeakPolarHBondContact CE2-O 3.2Å; F462-F486 HydrophobicContact CD1-CE1 4.28Å; F462-F486 HydrophobicContact CD1-CZ 4.32Å; F462-F486 HydrophobicContact CD2-CE1 4.45Å; F462-F486 HydrophobicContact CD2-CE2 4.05Å; F462-F486 AromaticContact CD2-CZ 3.97Å; F462-F486 HydrophobicContact CD2-CZ 3.97Å; F462-F486 HydrophobicContact CE1-CD1 4.02Å; F462-F486 AromaticContact CE1-CE1 3.58Å; F462-F486 HydrophobicContact CE1-CE1 3.58Å; F462-F486 AromaticContact CE1-CZ 4Å; F462-F486 HydrophobicContact CE1-CZ 4Å; F462-F486 AromaticContact CE2-CD1 3.92Å; F462-F486 HydrophobicContact CE2-CD1 3.92Å; F462-F486 AromaticContact CE2-CD2 3.76Å; F462-F486 HydrophobicContact CE2-CD2 3.76Å; F462-F486 AromaticContact CE2-CE1 3.78Å; F462-F486 HydrophobicContact CE2-CE1 3.78Å; F462-F486 AromaticContact CE2-CE2 3.62Å; F462-F486 HydrophobicContact CE2-CE2 3.62Å; F462-F486 AromaticContact CE2-CG 3.91Å; F462-F486 HydrophobicContact CE2-CG 3.91Å; F462-F486 AromaticContact CE2-CZ 3.63Å; F462-F486 HydrophobicContact CE2-CZ 3.63Å; F462-F486 HydrophobicContact CG-CZ 4.3Å; F462-F486 AromaticContact CZ-CD1 3.36Å; F462-F486 HydrophobicContact CZ-CD1 3.36Å; F462-F486 HydrophobicContact CZ-CD2 4.09Å; F462-F486 AromaticContact CZ-CE1 3.29Å; F462-F486 HydrophobicContact CZ-CE1 3.29Å; F462-F486 HydrophobicContact CZ-CE2 4.04Å; F462-F486 AromaticContact CZ-CG 3.78Å; F462-F486 HydrophobicContact CZ-CG 3.78Å; F462-F486 AromaticContact CZ-CZ 3.65Å; F462-F486 HydrophobicContact CZ-CZ 3.65Å
463	A	97.5	Very high	97.5	Very high	28 Å²	28	38.8 Å²	38.8	23%	0.231	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-32.1	178	0	0	0	0	0	112.7	P459 E460 D461 F466 E467	P459-A463 WeakPolarHBondContact O-CB 3.48Å; P459-A463 PolarHBondContact O-N 3.17Å; E460-A463 PolarHBondContact O-N 3.41Å; D461-A463 VanDerWaalsContact C-N 3.27Å; D461-A463 PolarHBondContact O-N 3.2Å; A463-F466 PolarHBondContact O-N 3.14Å; A463-E467 WeakPolarHBondContact O-CG 3.5Å; A463-E467 PolarHBondContact O-N 2.94Å
464	E	97.4	Very high	97.7	Very high	67 Å²	67	36.5 Å²	36.5	31%	0.313	20%	0.196	S	C	.	.	H	α-helix	trans	-62.1	-52	175.6	-172.7	176.1	156.7	0	0	111.7	E460 D461 F466 E467 D468 K516	E460-E464 PolarHBondContact O-N 3.01Å; D461-E464 PolarHBondContact O-N 2.85Å; E464-F466 PolarHBondContact O-N 3.37Å; E464-E467 PolarHBondContact O-N 2.99Å; E464-D468 WeakPolarHBondContact O-CB 3.05Å; E464-D468 PolarHBondContact O-N 3.33Å; E464-D468 VanDerWaalsContact O-N 3.08Å; E464-K516 VanDerWaalsContact OE1-CD 3.28Å; E464-K516 WeakPolarHBondContact OE1-CD 3.37Å; E464-K516 WeakPolarHBondContact OE1-CE 3.29Å; E464-K516 IonicContact OE1-NZ 3.54Å; E464-K516 PolarHBondContact OE1-NZ 2.98Å
465	I	98.4	Very high	97.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-38.2	175.4	-60.6	169.5	0	0	0	110.3	I432 M447 L457 D461 V469 F486 F506 S509 V510 Y513	I432-I465 HydrophobicContact CD1-CD1 3.89Å; M447-I465 HydrophobicContact CE-CD1 3.92Å; L457-I465 HydrophobicContact CD2-CD1 4.22Å; D461-I465 PolarHBondContact O-N 2.9Å; I465-V469 HydrophobicContact CG2-CG2 4.49Å; I465-V469 VanDerWaalsContact O-CG2 3.28Å; I465-V469 WeakPolarHBondContact O-CG2 3.31Å; I465-V469 PolarHBondContact O-N 3.3Å; I465-V469 VanDerWaalsContact O-N 3.12Å; I465-F486 HydrophobicContact CB-CE2 4.4Å; I465-F486 HydrophobicContact CB-CZ 3.98Å; I465-F486 HydrophobicContact CG2-CE2 3.82Å; I465-F486 HydrophobicContact CG2-CZ 3.69Å; I465-F506 HydrophobicContact CG2-CE2 4.38Å; I465-S509 PolarHBondContact O-OG 2.87Å; I465-V510 HydrophobicContact CG2-CG2 4.27Å; I465-Y513 HydrophobicContact CD1-CD1 4.03Å; I465-Y513 HydrophobicContact CD1-CD2 4.47Å; I465-Y513 HydrophobicContact CD1-CG 3.97Å; I465-Y513 HydrophobicContact CG1-CD1 4.49Å; I465-Y513 HydrophobicContact CG1-CD2 4.3Å; I465-Y513 HydrophobicContact CG1-CG 3.93Å
466	F	98.6	Very high	97.9	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-40.7	179.8	-171.1	-138.3	0	0	0	113.8	Y87 Y88 F462 A463 E464 I476 K478 F486	Y87-F466 HydrophobicContact CD2-CE1 4.12Å; Y87-F466 AromaticContact CD2-CZ 3.57Å; Y87-F466 HydrophobicContact CD2-CZ 3.57Å; Y87-F466 AromaticContact CE2-CZ 3.93Å; Y87-F466 HydrophobicContact CE2-CZ 3.93Å; Y87-F466 HydrophobicContact CG-CE1 4.04Å; Y87-F466 AromaticContact CG-CZ 3.97Å; Y87-F466 HydrophobicContact CG-CZ 3.97Å; Y88-F466 AromaticContact CD1-CD1 4Å; Y88-F466 HydrophobicContact CD1-CD1 4Å; Y88-F466 AromaticContact CD1-CE1 3.79Å; Y88-F466 HydrophobicContact CD1-CE1 3.79Å; Y88-F466 HydrophobicContact CD1-CZ 4.15Å; Y88-F466 AromaticContact CE1-CD1 3.73Å; Y88-F466 HydrophobicContact CE1-CD1 3.73Å; Y88-F466 AromaticContact CE1-CD2 3.89Å; Y88-F466 HydrophobicContact CE1-CD2 3.89Å; Y88-F466 AromaticContact CE1-CE1 3.4Å; Y88-F466 HydrophobicContact CE1-CE1 3.4Å; Y88-F466 AromaticContact CE1-CE2 3.55Å; Y88-F466 HydrophobicContact CE1-CE2 3.55Å; Y88-F466 AromaticContact CE1-CG 3.97Å; Y88-F466 HydrophobicContact CE1-CG 3.97Å; Y88-F466 AromaticContact CE1-CZ 3.31Å; Y88-F466 HydrophobicContact CE1-CZ 3.31Å; Y88-F466 HydrophobicContact CE2-CZ 4.46Å; Y88-F466 AromaticContact CZ-CE2 3.78Å; Y88-F466 AromaticContact CZ-CZ 3.51Å; Y88-F466 WeakPolarHBondContact OH-CE2 3.27Å; Y88-F466 WeakPolarHBondContact OH-CZ 3.39Å; F462-F466 WeakPolarHBondContact O-CB 3.48Å; F462-F466 PolarHBondContact O-N 3.47Å; A463-F466 PolarHBondContact O-N 3.14Å; E464-F466 PolarHBondContact O-N 3.37Å; F466-I476 HydrophobicContact CD2-CD1 4.25Å; F466-I476 HydrophobicContact CD2-CG1 3.79Å; F466-I476 HydrophobicContact CE2-CG1 3.71Å; F466-I476 VanDerWaalsContact CE2-O 3.3Å; F466-I476 WeakPolarHBondContact CE2-O 3.4Å; F466-K478 HydrophobicContact CE1-CD 4.28Å; F466-F486 HydrophobicContact CB-CE1 3.8Å; F466-F486 HydrophobicContact CB-CZ 4.3Å; F466-F486 HydrophobicContact CD2-CD1 4.3Å; F466-F486 AromaticContact CD2-CE1 3.82Å; F466-F486 HydrophobicContact CD2-CE1 3.82Å; F466-F486 HydrophobicContact CG-CE1 4.12Å
467	E	98.4	Very high	97.9	Very high	25 Å²	25	29.5 Å²	29.5	12%	0.117	16%	0.161	C	C	.	.	H	α-helix	trans	-69.5	-43.5	177.2	-65.1	-78.9	-172.4	0	0	111.3	Y88 K89 A463 E464 K470 D471	Y88-E467 WeakPolarHBondContact CA-OE1 3.41Å; Y88-E467 WeakPolarHBondContact CB-OE2 3.15Å; K89-E467 WeakPolarHBondContact CB-OE1 3.31Å; K89-E467 VanDerWaalsContact CG-OE1 3.26Å; K89-E467 WeakPolarHBondContact CG-OE1 3.43Å; K89-E467 PolarHBondContact N-OE1 3.24Å; A463-E467 WeakPolarHBondContact O-CG 3.5Å; A463-E467 PolarHBondContact O-N 2.94Å; E464-E467 PolarHBondContact O-N 2.99Å; E467-K470 CarbonylContact O-C 3.56Å; E467-K470 WeakPolarHBondContact O-CA 3.23Å; E467-K470 WeakPolarHBondContact O-CB 3.41Å; E467-K470 PolarHBondContact O-N 3.45Å; E467-D471 PolarHBondContact O-N 2.9Å
468	D	97.8	Very high	97.8	Very high	39 Å²	39	33.4 Å²	33.4	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-39.4	-175.8	-175.5	50.9	0	0	0	111.9	E464 K470 D471 M472 S509 N512	E464-D468 WeakPolarHBondContact O-CB 3.05Å; E464-D468 PolarHBondContact O-N 3.33Å; E464-D468 VanDerWaalsContact O-N 3.08Å; D468-K470 VanDerWaalsContact C-N 3.26Å; D468-K470 PolarHBondContact O-N 2.94Å; D468-D471 PolarHBondContact O-N 3.1Å; D468-M472 HydrophobicContact CB-CE 4.41Å; D468-M472 VanDerWaalsContact O-CE 3.25Å; D468-M472 WeakPolarHBondContact O-CE 3.49Å; D468-M472 WeakPolarHBondContact O-CG 3.15Å; D468-M472 PolarHBondContact O-N 3.13Å; D468-M472 WeakPolarHBondContact OD2-CE 3.26Å; D468-S509 WeakPolarHBondContact CB-OG 3.24Å; D468-S509 WeakPolarHBondContact OD2-CA 3.39Å; D468-S509 VanDerWaalsContact OD2-CB 3.29Å; D468-S509 WeakPolarHBondContact OD2-CB 3.4Å; D468-S509 PolarHBondContact OD2-OG 3.23Å; D468-N512 PolarHBondContact OD2-ND2 3.27Å
469	V	98.5	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-38	169	171.9	0	0	0	0	112.2	I465 V474 I476 V505 F506	I465-V469 HydrophobicContact CG2-CG2 4.49Å; I465-V469 VanDerWaalsContact O-CG2 3.28Å; I465-V469 WeakPolarHBondContact O-CG2 3.31Å; I465-V469 PolarHBondContact O-N 3.3Å; I465-V469 VanDerWaalsContact O-N 3.12Å; V469-V474 CarbonylContact C-O 3.57Å; V469-V474 HydrophobicContact CG1-CB 3.8Å; V469-V474 HydrophobicContact CG1-CG1 4.02Å; V469-V474 PolarHBondContact O-N 2.98Å; V469-I476 HydrophobicContact CB-CD1 4.43Å; V469-I476 HydrophobicContact CG1-CD1 3.99Å; V469-I476 HydrophobicContact CG1-CG1 4.27Å; V469-I476 HydrophobicContact CG1-CG2 4.38Å; V469-V505 HydrophobicContact CB-CG1 4.38Å; V469-V505 HydrophobicContact CG1-CG1 4.07Å; V469-V505 HydrophobicContact CG2-CG1 4.43Å; V469-F506 HydrophobicContact CG2-CD2 4.01Å
470	K	98.3	Very high	97.7	Very high	11 Å²	11	28.1 Å²	28.1	5%	0.048	15%	0.146	C	C	.	.	H	α-helix	trans	-76.9	-35.4	177.2	173.7	-125.4	59.7	66.2	0	112.7	Y88 V92 E467 D468 M472 G473 V474 L475	Y88-K470 HydrophobicContact CD1-CB 4.15Å; Y88-K470 HydrophobicContact CD1-CD 3.57Å; Y88-K470 HydrophobicContact CD1-CG 4.12Å; Y88-K470 HydrophobicContact CD2-CD 3.62Å; Y88-K470 HydrophobicContact CD2-CG 4.1Å; Y88-K470 HydrophobicContact CE1-CB 3.59Å; Y88-K470 HydrophobicContact CE1-CD 3.84Å; Y88-K470 HydrophobicContact CE1-CG 3.84Å; Y88-K470 HydrophobicContact CE2-CB 4.41Å; Y88-K470 HydrophobicContact CE2-CD 3.9Å; Y88-K470 HydrophobicContact CE2-CG 3.82Å; Y88-K470 HydrophobicContact CG-CD 3.43Å; Y88-K470 VanDerWaalsContact CG-CD 3.43Å; Y88-K470 HydrophobicContact CG-CG 4.22Å; V92-K470 HydrophobicContact CG2-CD 3.78Å; V92-K470 HydrophobicContact CG2-CG 3.95Å; E467-K470 CarbonylContact O-C 3.56Å; E467-K470 WeakPolarHBondContact O-CA 3.23Å; E467-K470 WeakPolarHBondContact O-CB 3.41Å; E467-K470 PolarHBondContact O-N 3.45Å; D468-K470 VanDerWaalsContact C-N 3.26Å; D468-K470 PolarHBondContact O-N 2.94Å; K470-M472 PolarHBondContact O-N 3.45Å; K470-G473 PolarHBondContact O-N 3.14Å; K470-G473 VanDerWaalsContact O-N 3.13Å; K470-V474 VanDerWaalsContact CA-O 3.27Å; K470-V474 WeakPolarHBondContact CA-O 3.5Å; K470-L475 HydrophobicContact CB-CD2 4.43Å; K470-L475 HydrophobicContact CG-CD2 3.78Å
471	D	97.6	Very high	97.6	Very high	107 Å²	107	25.5 Å²	25.5	57%	0.572	14%	0.138	S	C	*	.	H	α-helix	trans	-64.8	-29.8	172.5	-79.2	-31.7	0	0	0	111.2	E467 D468 G473	E467-D471 PolarHBondContact O-N 2.9Å; D468-D471 PolarHBondContact O-N 3.1Å; D471-G473 VanDerWaalsContact C-N 3.27Å; D471-G473 PolarHBondContact O-N 3.33Å
472	M	97.9	Very high	97.4	Very high	38 Å²	38	31.9 Å²	31.9	19%	0.187	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	13.9	170.6	-68.3	-177.1	-80.9	0	0	114.7	I49 D468 K470 V505 K508	I49-M472 HydrophobicContact CD1-CG 4.15Å; I49-M472 HydrophobicContact CD1-SD 3.38Å; I49-M472 WeakPolarHBondContact CD1-SD 3.31Å; D468-M472 HydrophobicContact CB-CE 4.41Å; D468-M472 VanDerWaalsContact O-CE 3.25Å; D468-M472 WeakPolarHBondContact O-CE 3.49Å; D468-M472 WeakPolarHBondContact O-CG 3.15Å; D468-M472 PolarHBondContact O-N 3.13Å; D468-M472 WeakPolarHBondContact OD2-CE 3.26Å; K470-M472 PolarHBondContact O-N 3.45Å; M472-V505 HydrophobicContact CB-CB 4.5Å; M472-V505 HydrophobicContact CB-CG1 3.65Å; M472-V505 HydrophobicContact CB-CG2 4.11Å; M472-V505 HydrophobicContact CE-CG1 4.06Å; M472-V505 HydrophobicContact SD-CG1 4.29Å; M472-K508 HydrophobicContact CE-CB 4.38Å; M472-K508 HydrophobicContact CE-CG 4.22Å; M472-K508 HydrophobicContact SD-CB 4.13Å; M472-K508 HydrophobicContact SD-CG 3.73Å
473	G	98	Very high	97.3	Very high	8 Å²	8	33 Å²	33	8%	0.082	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	18.5	170.3	0	0	0	0	0	116.1	M52 Y110 L111 K470 D471	M52-G473 WeakPolarHBondContact CE-O 3.38Å; Y110-G473 CarbonylContact C-O 3.54Å; Y110-G473 VanDerWaalsContact CA-O 3.24Å; Y110-G473 WeakPolarHBondContact CA-O 3.28Å; L111-G473 PolarHBondContact N-O 2.98Å; K470-G473 PolarHBondContact O-N 3.14Å; K470-G473 VanDerWaalsContact O-N 3.13Å; D471-G473 VanDerWaalsContact C-N 3.27Å; D471-G473 PolarHBondContact O-N 3.33Å
474	V	98.8	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131	-180	-178.7	0	0	0	0	112.2	L113 V469 K470 I476 F501 F502 V505	L113-V474 HydrophobicContact CD1-CG1 3.35Å; V469-V474 CarbonylContact C-O 3.57Å; V469-V474 HydrophobicContact CG1-CB 3.8Å; V469-V474 HydrophobicContact CG1-CG1 4.02Å; V469-V474 PolarHBondContact O-N 2.98Å; K470-V474 VanDerWaalsContact CA-O 3.27Å; K470-V474 WeakPolarHBondContact CA-O 3.5Å; V474-I476 HydrophobicContact CG1-CG2 4.09Å; V474-F501 HydrophobicContact CG2-CD1 3.93Å; V474-F501 HydrophobicContact CG2-CE1 3.43Å; V474-F501 VanDerWaalsContact CG2-CE1 3.43Å; V474-F501 HydrophobicContact CG2-CZ 4.32Å; V474-F502 HydrophobicContact CG1-CD2 3.91Å; V474-V505 HydrophobicContact CB-CG1 4.25Å; V474-V505 HydrophobicContact CG2-CB 4.14Å; V474-V505 HydrophobicContact CG2-CG1 3.92Å; V474-V505 HydrophobicContact CG2-CG2 4.06Å
475	L	98.8	Very high	97.3	Very high	16 Å²	16	28.8 Å²	28.8	8%	0.084	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.1	178.5	-58.6	176.2	0	0	0	110.8	Y88 V92 I94 L102 Y110 L111 L113 F114 K470	Y88-L475 HydrophobicContact CE2-CD2 3.98Å; V92-L475 HydrophobicContact CG2-CD2 4.17Å; I94-L475 HydrophobicContact CD1-CD1 4.29Å; L102-L475 HydrophobicContact CD1-CD1 4.06Å; Y110-L475 HydrophobicContact CD1-CD1 4.39Å; Y110-L475 HydrophobicContact CD1-CD2 3.92Å; Y110-L475 HydrophobicContact CD1-CG 4Å; Y110-L475 HydrophobicContact CE1-CD2 4.44Å; Y110-L475 HydrophobicContact CG-CD1 4.03Å; Y110-L475 HydrophobicContact CG-CD2 4.39Å; Y110-L475 HydrophobicContact CG-CG 4.08Å; L111-L475 PolarHBondContact O-N 2.84Å; L113-L475 CarbonylContact C-O 3.58Å; L113-L475 VanDerWaalsContact CA-O 3.32Å; L113-L475 WeakPolarHBondContact CA-O 3.35Å; L113-L475 PolarHBondContact N-O 3.18Å; F114-L475 PolarHBondContact N-O 3.13Å; K470-L475 HydrophobicContact CB-CD2 4.43Å; K470-L475 HydrophobicContact CG-CD2 3.78Å
476	I	98.6	Very high	97.4	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.151	C	C	.	.			trans	-115.5	165.1	175.7	61.5	-179.9	0	0	0	111.4	L113 F466 V469 V474 F486 I488 F502	L113-I476 HydrophobicContact CB-CG2 4.04Å; F466-I476 HydrophobicContact CD2-CD1 4.25Å; F466-I476 HydrophobicContact CD2-CG1 3.79Å; F466-I476 HydrophobicContact CE2-CG1 3.71Å; F466-I476 VanDerWaalsContact CE2-O 3.3Å; F466-I476 WeakPolarHBondContact CE2-O 3.4Å; V469-I476 HydrophobicContact CB-CD1 4.43Å; V469-I476 HydrophobicContact CG1-CD1 3.99Å; V469-I476 HydrophobicContact CG1-CG1 4.27Å; V469-I476 HydrophobicContact CG1-CG2 4.38Å; V474-I476 HydrophobicContact CG1-CG2 4.09Å; I476-F486 HydrophobicContact CD1-CB 4.17Å; I476-F486 HydrophobicContact CD1-CD1 3.27Å; I476-F486 HydrophobicContact CD1-CE1 3.75Å; I476-F486 HydrophobicContact CD1-CG 3.82Å; I476-F486 HydrophobicContact CG1-CD1 4.06Å; I476-I488 HydrophobicContact CB-CD1 3.77Å; I476-I488 HydrophobicContact CD1-CD1 4.43Å; I476-I488 HydrophobicContact CG2-CD1 3.37Å; I476-F502 HydrophobicContact CG2-CD2 4.42Å; I476-F502 HydrophobicContact CG2-CE2 3.91Å
477	G	97.7	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	163.1	172.9	0	0	0	0	0	113	F114 F486 R487	F114-G477 VanDerWaalsContact CE2-CA 3.48Å; G477-F486 CarbonylContact O-C 3.59Å; G477-F486 WeakPolarHBondContact O-CA 3.29Å; G477-R487 WeakPolarHBondContact CA-O 3.43Å; G477-R487 PolarHBondContact N-O 2.83Å; G477-R487 PolarHBondContact O-N 3.47Å
478	K	96.2	Very high	97.4	Very high	87 Å²	87	27.4 Å²	27.4	38%	0.378	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	157.2	162	67.5	172.9	-176.1	173.2	0	112.7	Y87 F462 F466 I485 R487	Y87-K478 HydrophobicContact CE1-CG 4.05Å; Y87-K478 PolarHBondContact OH-N 3.39Å; F462-K478 HydrophobicContact CE1-CB 3.74Å; F462-K478 HydrophobicContact CE1-CD 4.17Å; F462-K478 HydrophobicContact CZ-CB 3.97Å; F466-K478 HydrophobicContact CE1-CD 4.28Å; K478-I485 CarbonylContact C-O 3.6Å; K478-I485 WeakPolarHBondContact CA-O 3.33Å; K478-R487 WeakPolarHBondContact O-CD 3.38Å; K478-R487 PolarHBondContact O-NH1 3.11Å
479	G	95.4	Very high	97.4	Very high	7 Å²	7	25.6 Å²	25.6	7%	0.072	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-153.7	177.5	0	0	0	0	0	112.6	G483 Q484 I485	G479-G483 CarbonylContact O-C 3.6Å; G479-G483 WeakPolarHBondContact O-CA 3.36Å; G479-Q484 PolarHBondContact O-N 2.82Å; G479-Q484 VanDerWaalsContact O-N 3.16Å; G479-I485 PolarHBondContact N-O 2.86Å; G479-I485 PolarHBondContact O-N 2.84Å; G479-I485 VanDerWaalsContact O-N 3.08Å
480	G	95.6	Very high	97.4	Very high	6 Å²	6	25.6 Å²	25.6	6%	0.062	14%	0.135	C	C	.	.	S	Bend	trans	88.4	164.7	-163.8	0	0	0	0	0	112.6	N216 V298 G299 Y482 G483	N216-G480 PolarHBondContact ND2-O 3.3Å; V298-G480 PolarHBondContact O-N 3.05Å; G299-G480 WeakPolarHBondContact O-CA 3.41Å; G480-Y482 PolarHBondContact O-N 3.39Å; G480-G483 PolarHBondContact O-N 3.1Å
481	V	93.8	Very high	97.4	Very high	71 Å²	71	25 Å²	25	43%	0.43	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.9	178	178.2	0	0	0	0	111.7
482	Y	94.8	Very high	97.4	Very high	144 Å²	144	20 Å²	20	57%	0.565	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	6.9	179.5	-47.1	-76.8	0	0	0	112.9	P456 G480 Q484	P456-Y482 HydrophobicContact CG-CD2 3.65Å; P456-Y482 HydrophobicContact CG-CE2 4.33Å; P456-Y482 HydrophobicContact CG-CG 3.75Å; G480-Y482 PolarHBondContact O-N 3.39Å; Y482-Q484 VanDerWaalsContact C-N 3.26Å; Y482-Q484 PolarHBondContact O-N 2.92Å
483	G	95.5	Very high	97.5	Very high	29 Å²	29	19.3 Å²	19.3	30%	0.299	10%	0.104	S	C	.	.	S	Bend	trans	73.6	12.6	-175.8	0	0	0	0	0	115	F462 G479 G480	F462-G483 WeakPolarHBondContact CE1-O 3.43Å; G479-G483 CarbonylContact O-C 3.6Å; G479-G483 WeakPolarHBondContact O-CA 3.36Å; G480-G483 PolarHBondContact O-N 3.1Å
484	Q	97.1	Very high	97.5	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.028	10%	0.101	C	C	.	.			trans	-92	8.4	-165.7	82.8	-65.2	-3.8	0	0	115.5	E446 M447 P456 F462 G479 Y482	E446-Q484 HydrophobicContact CG-CG 4.24Å; E446-Q484 PolarHBondContact OE1-NE2 2.9Å; M447-Q484 PolarHBondContact N-O 3.49Å; P456-Q484 HydrophobicContact CB-CB 3.84Å; P456-Q484 HydrophobicContact CB-CG 3.98Å; P456-Q484 HydrophobicContact CG-CG 4.37Å; F462-Q484 WeakPolarHBondContact CE2-O 3.2Å; G479-Q484 PolarHBondContact O-N 2.82Å; G479-Q484 VanDerWaalsContact O-N 3.16Å; Y482-Q484 VanDerWaalsContact C-N 3.26Å; Y482-Q484 PolarHBondContact O-N 2.92Å
485	I	98.4	Very high	97.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.8	-172.4	-61.5	163.2	0	0	0	110.4	V445 E446 K478 G479	V445-I485 CarbonylContact O-C 3.41Å; V445-I485 WeakPolarHBondContact O-CA 3.33Å; E446-I485 HydrophobicContact CB-CG1 3.92Å; E446-I485 HydrophobicContact CG-CD1 4.43Å; E446-I485 HydrophobicContact CG-CG1 3.84Å; K478-I485 CarbonylContact C-O 3.6Å; K478-I485 WeakPolarHBondContact CA-O 3.33Å; G479-I485 PolarHBondContact N-O 2.86Å; G479-I485 PolarHBondContact O-N 2.84Å; G479-I485 VanDerWaalsContact O-N 3.08Å
486	F	98.8	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.5	165.5	-67.3	-63.2	0	0	0	109.7	G444 V445 M447 F462 I465 F466 I476 G477 F506	G444-F486 VanDerWaalsContact CA-O 3.3Å; G444-F486 WeakPolarHBondContact CA-O 3.29Å; V445-F486 HydrophobicContact CB-CB 4.32Å; V445-F486 PolarHBondContact N-O 3.31Å; V445-F486 PolarHBondContact O-N 3.44Å; M447-F486 HydrophobicContact CE-CE2 4.43Å; M447-F486 HydrophobicContact CG-CD2 3.77Å; M447-F486 HydrophobicContact CG-CE2 3.62Å; M447-F486 HydrophobicContact SD-CD2 3.86Å; M447-F486 HydrophobicContact SD-CE2 3.86Å; F462-F486 HydrophobicContact CD1-CE1 4.28Å; F462-F486 HydrophobicContact CD1-CZ 4.32Å; F462-F486 HydrophobicContact CD2-CE1 4.45Å; F462-F486 HydrophobicContact CD2-CE2 4.05Å; F462-F486 AromaticContact CD2-CZ 3.97Å; F462-F486 HydrophobicContact CD2-CZ 3.97Å; F462-F486 HydrophobicContact CE1-CD1 4.02Å; F462-F486 AromaticContact CE1-CE1 3.58Å; F462-F486 HydrophobicContact CE1-CE1 3.58Å; F462-F486 AromaticContact CE1-CZ 4Å; F462-F486 HydrophobicContact CE1-CZ 4Å; F462-F486 AromaticContact CE2-CD1 3.92Å; F462-F486 HydrophobicContact CE2-CD1 3.92Å; F462-F486 AromaticContact CE2-CD2 3.76Å; F462-F486 HydrophobicContact CE2-CD2 3.76Å; F462-F486 AromaticContact CE2-CE1 3.78Å; F462-F486 HydrophobicContact CE2-CE1 3.78Å; F462-F486 AromaticContact CE2-CE2 3.62Å; F462-F486 HydrophobicContact CE2-CE2 3.62Å; F462-F486 AromaticContact CE2-CG 3.91Å; F462-F486 HydrophobicContact CE2-CG 3.91Å; F462-F486 AromaticContact CE2-CZ 3.63Å; F462-F486 HydrophobicContact CE2-CZ 3.63Å; F462-F486 HydrophobicContact CG-CZ 4.3Å; F462-F486 AromaticContact CZ-CD1 3.36Å; F462-F486 HydrophobicContact CZ-CD1 3.36Å; F462-F486 HydrophobicContact CZ-CD2 4.09Å; F462-F486 AromaticContact CZ-CE1 3.29Å; F462-F486 HydrophobicContact CZ-CE1 3.29Å; F462-F486 HydrophobicContact CZ-CE2 4.04Å; F462-F486 AromaticContact CZ-CG 3.78Å; F462-F486 HydrophobicContact CZ-CG 3.78Å; F462-F486 AromaticContact CZ-CZ 3.65Å; F462-F486 HydrophobicContact CZ-CZ 3.65Å; I465-F486 HydrophobicContact CB-CE2 4.4Å; I465-F486 HydrophobicContact CB-CZ 3.98Å; I465-F486 HydrophobicContact CG2-CE2 3.82Å; I465-F486 HydrophobicContact CG2-CZ 3.69Å; F466-F486 HydrophobicContact CB-CE1 3.8Å; F466-F486 HydrophobicContact CB-CZ 4.3Å; F466-F486 HydrophobicContact CD2-CD1 4.3Å; F466-F486 AromaticContact CD2-CE1 3.82Å; F466-F486 HydrophobicContact CD2-CE1 3.82Å; F466-F486 HydrophobicContact CG-CE1 4.12Å; I476-F486 HydrophobicContact CD1-CB 4.17Å; I476-F486 HydrophobicContact CD1-CD1 3.27Å; I476-F486 HydrophobicContact CD1-CE1 3.75Å; I476-F486 HydrophobicContact CD1-CG 3.82Å; I476-F486 HydrophobicContact CG1-CD1 4.06Å; G477-F486 CarbonylContact O-C 3.59Å; G477-F486 WeakPolarHBondContact O-CA 3.29Å; F486-F506 AromaticContact CD2-CE2 3.65Å; F486-F506 HydrophobicContact CD2-CE2 3.65Å; F486-F506 AromaticContact CD2-CZ 3.8Å; F486-F506 HydrophobicContact CD2-CZ 3.8Å; F486-F506 AromaticContact CE2-CE2 3.88Å; F486-F506 HydrophobicContact CE2-CE2 3.88Å; F486-F506 HydrophobicContact CE2-CZ 4.16Å; F486-F506 HydrophobicContact CG-CE2 4.21Å
487	R	98.4	Very high	97.4	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.015	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.6	-177.9	-73.3	170	68.2	-153.3	1.9	108.7	F114 G297 G477 K478	F114-R487 HydrophobicContact CE2-CB 4.45Å; G297-R487 VanDerWaalsContact O-CZ 3.31Å; G297-R487 PolarHBondContact O-NE 3Å; G297-R487 PolarHBondContact O-NH2 2.93Å; G477-R487 WeakPolarHBondContact CA-O 3.43Å; G477-R487 PolarHBondContact N-O 2.83Å; G477-R487 PolarHBondContact O-N 3.47Å; K478-R487 WeakPolarHBondContact O-CD 3.38Å; K478-R487 PolarHBondContact O-NH1 3.11Å
488	I	98.7	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105.9	179.3	-50.2	-54.1	0	0	0	107.6	L113 I443 I476 F502	L113-I488 HydrophobicContact CB-CG2 4.26Å; L113-I488 HydrophobicContact CD2-CG2 3.57Å; I443-I488 HydrophobicContact CB-CB 4.04Å; I443-I488 HydrophobicContact CG2-CB 4.33Å; I443-I488 PolarHBondContact N-O 2.88Å; I443-I488 PolarHBondContact O-N 3.03Å; I443-I488 VanDerWaalsContact O-N 3.07Å; I476-I488 HydrophobicContact CB-CD1 3.77Å; I476-I488 HydrophobicContact CD1-CD1 4.43Å; I476-I488 HydrophobicContact CG2-CD1 3.37Å; I488-F502 HydrophobicContact CD1-CE1 4.19Å; I488-F502 HydrophobicContact CD1-CE2 3.91Å; I488-F502 HydrophobicContact CD1-CZ 3.44Å; I488-F502 VanDerWaalsContact CD1-CZ 3.44Å; I488-F502 HydrophobicContact CG1-CE1 4.18Å; I488-F502 HydrophobicContact CG1-CZ 3.81Å; I488-F502 HydrophobicContact CG2-CE1 4.11Å; I488-F502 HydrophobicContact CG2-CZ 4.44Å
489	K	97.9	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.			trans	-145	60.9	-173.1	-60.9	178.8	175.9	44	0	110.5	L113 F114 A115 A118 Q442 I443	L113-K489 CarbonylContact O-C 3.53Å; L113-K489 PolarHBondContact O-N 3.41Å; F114-K489 CarbonylContact C-O 3.49Å; F114-K489 VanDerWaalsContact C-O 3.28Å; A115-K489 WeakPolarHBondContact CB-O 3.3Å; A118-K489 HydrophobicContact CB-CB 4.02Å; A118-K489 HydrophobicContact CB-CD 4.01Å; Q442-K489 HydrophobicContact CG-CD 4.32Å; Q442-K489 HydrophobicContact CG-CG 4.43Å; I443-K489 PolarHBondContact O-NZ 2.86Å
490	P	98.6	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.			trans	-65.2	170	-179	27.8	-36.7	0	0	0	113.2	D112 L113 R334 L441 I494	D112-P490 WeakPolarHBondContact O-CA 3.46Å; L113-P490 HydrophobicContact CB-CB 4.38Å; L113-P490 HydrophobicContact CD2-CB 4.39Å; L113-P490 HydrophobicContact CD2-CG 4.33Å; L113-P490 HydrophobicContact CG-CB 4.14Å; R334-P490 PolarHBondContact NH1-O 2.81Å; R334-P490 PolarHBondContact NH2-O 3.34Å; L441-P490 HydrophobicContact CB-CG 4.38Å; L441-P490 HydrophobicContact CD1-CG 4.32Å; L441-P490 HydrophobicContact CD2-CG 3.87Å; L441-P490 HydrophobicContact CG-CG 4.42Å; P490-I494 HydrophobicContact CB-CB 4.13Å; P490-I494 HydrophobicContact CB-CD1 3.67Å; P490-I494 HydrophobicContact CB-CG1 4.46Å; P490-I494 HydrophobicContact CB-CG2 4.14Å; P490-I494 HydrophobicContact CG-CB 4.34Å; P490-I494 HydrophobicContact CG-CD1 3.84Å; P490-I494 HydrophobicContact CG-CG2 3.82Å
491	P	98.7	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.			trans	-55.1	145.3	158.8	-25.6	39	0	0	0	111.1	D112 A115 V120 C493 I494	D112-P491 WeakPolarHBondContact O-CD 3.18Å; A115-P491 HydrophobicContact CB-CG 3.96Å; V120-P491 HydrophobicContact CG1-CG 4.11Å; P491-C493 PolarHBondContact O-N 3.47Å; P491-I494 WeakPolarHBondContact O-CB 3.48Å; P491-I494 WeakPolarHBondContact O-CG2 3.37Å; P491-I494 PolarHBondContact O-N 2.83Å
492	M	98.7	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.8	-174.9	-55.4	-171.9	-46.4	0	0	113.5	S121 F332 R334 I403 T408 N411 S412 L441	S121-M492 WeakPolarHBondContact O-CB 3.36Å; S121-M492 WeakPolarHBondContact O-CG 3.45Å; S121-M492 PolarHBondContact O-N 3.2Å; S121-M492 VanDerWaalsContact OG-CE 3.3Å; S121-M492 WeakPolarHBondContact OG-CE 3.45Å; F332-M492 WeakPolarHBondContact O-CE 3.36Å; R334-M492 HydrophobicContact CB-SD 4.42Å; R334-M492 VanDerWaalsContact CZ-CG 3.46Å; R334-M492 VanDerWaalsContact NH2-CG 3.3Å; I403-M492 HydrophobicContact CD1-CE 4.39Å; I403-M492 HydrophobicContact CG1-CE 4Å; T408-M492 HydrophobicContact CG2-CB 4.35Å; T408-M492 WeakPolarHBondContact OG1-CE 3.06Å; N411-M492 PolarHBondContact ND2-O 3.27Å; S412-M492 WeakPolarHBondContact OG-CB 3.31Å; S412-M492 WeakPolarHBondContact OG-CG 3.29Å; S412-M492 PolarHBondContact OG-SD 3.4Å; L441-M492 HydrophobicContact CD1-CB 4.43Å
493	C	98.3	Very high	98.2	Very high	24 Å²	24	16.7 Å²	16.7	16%	0.162	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.8	170.2	66.4	0	0	0	0	113.8	M99 P491	M99-C493 HydrophobicContact CE-CB 4.02Å; P491-C493 PolarHBondContact O-N 3.47Å
494	I	98.6	Very high	98.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.			trans	-55.2	135.8	178.8	-171.6	170.7	0	0	0	111.9	L113 N411 V415 L441 P490 P491 D498	L113-I494 HydrophobicContact CD2-CD1 3.83Å; L113-I494 HydrophobicContact CG-CD1 4.13Å; N411-I494 PolarHBondContact ND2-O 3.24Å; V415-I494 HydrophobicContact CG1-CG2 4.21Å; L441-I494 HydrophobicContact CD1-CG2 3.64Å; L441-I494 HydrophobicContact CD2-CG2 4.06Å; P490-I494 HydrophobicContact CB-CB 4.13Å; P490-I494 HydrophobicContact CB-CD1 3.67Å; P490-I494 HydrophobicContact CB-CG1 4.46Å; P490-I494 HydrophobicContact CB-CG2 4.14Å; P490-I494 HydrophobicContact CG-CB 4.34Å; P490-I494 HydrophobicContact CG-CD1 3.84Å; P490-I494 HydrophobicContact CG-CG2 3.82Å; P491-I494 WeakPolarHBondContact O-CB 3.48Å; P491-I494 WeakPolarHBondContact O-CG2 3.37Å; P491-I494 PolarHBondContact O-N 2.83Å; I494-D498 HydrophobicContact CD1-CB 3.94Å; I494-D498 HydrophobicContact CG1-CB 3.41Å; I494-D498 VanDerWaalsContact CG1-CB 3.41Å
495	T	98.4	Very high	98.4	Very high	47 Å²	47	15.1 Å²	15.1	29%	0.288	8%	0.075	S	C	.	.			trans	-90.5	177.2	-178.7	86.1	0	0	0	0	112.6	E497 D498 A499	T495-E497 VanDerWaalsContact C-N 3.33Å; T495-E497 WeakPolarHBondContact CB-OE2 3.39Å; T495-E497 PolarHBondContact OG1-N 3.27Å; T495-E497 VanDerWaalsContact OG1-N 3.16Å; T495-E497 PolarHBondContact OG1-OE2 3.25Å; T495-D498 PolarHBondContact N-OD2 3.49Å; T495-D498 PolarHBondContact OG1-N 3.4Å; T495-D498 PolarHBondContact OG1-OD2 2.94Å; T495-A499 PolarHBondContact O-N 3.27Å
496	K	98	Very high	98.5	Very high	96 Å²	96	15.1 Å²	15.1	42%	0.417	8%	0.075	S	C	.	.	H	α-helix	trans	-71.7	-30.9	173.3	-169.5	177.5	178.6	-175.7	0	111.9	Y418 A499 D500	Y418-K496 HydrophobicContact CD1-CG 3.96Å; Y418-K496 HydrophobicContact CE1-CG 3.89Å; K496-A499 WeakPolarHBondContact O-CB 3.45Å; K496-A499 PolarHBondContact O-N 2.71Å; K496-D500 WeakPolarHBondContact O-CB 3.34Å; K496-D500 VanDerWaalsContact O-CG 3.26Å; K496-D500 PolarHBondContact O-N 2.99Å
497	E	97.9	Very high	98.4	Very high	110 Å²	110	15.2 Å²	15.2	51%	0.514	8%	0.076	S	C	.	.	H	α-helix	trans	-69.3	-39	177.6	-59.5	66	-141.8	0	0	110.7	P53 T495 D500 F501	P53-E497 HydrophobicContact CB-CB 4.34Å; P53-E497 HydrophobicContact CG-CB 3.93Å; T495-E497 VanDerWaalsContact C-N 3.33Å; T495-E497 WeakPolarHBondContact CB-OE2 3.39Å; T495-E497 PolarHBondContact OG1-N 3.27Å; T495-E497 VanDerWaalsContact OG1-N 3.16Å; T495-E497 PolarHBondContact OG1-OE2 3.25Å; E497-D500 PolarHBondContact O-N 3.46Å; E497-F501 PolarHBondContact O-N 3.29Å
498	D	98.6	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-42.9	170.1	-69.1	-45.8	0	0	0	112.1	Q100 Y101 L111 I494 T495 D500 F501 F502	Q100-D498 WeakPolarHBondContact CG-OD2 3.27Å; Q100-D498 PolarHBondContact NE2-OD2 2.94Å; Y101-D498 PolarHBondContact OH-OD1 2.83Å; L111-D498 HydrophobicContact CD1-CB 3.93Å; L111-D498 HydrophobicContact CD2-CB 3.86Å; L111-D498 WeakPolarHBondContact CD2-O 3.44Å; I494-D498 HydrophobicContact CD1-CB 3.94Å; I494-D498 HydrophobicContact CG1-CB 3.41Å; I494-D498 VanDerWaalsContact CG1-CB 3.41Å; T495-D498 PolarHBondContact N-OD2 3.49Å; T495-D498 PolarHBondContact OG1-N 3.4Å; T495-D498 PolarHBondContact OG1-OD2 2.94Å; D498-D500 VanDerWaalsContact C-N 3.34Å; D498-F501 PolarHBondContact O-N 2.83Å; D498-F502 PolarHBondContact O-N 2.98Å
499	A	98.6	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.2	-42	174.8	0	0	0	0	0	111.7	V415 Y418 L419 T495 K496 F502 L503	V415-A499 HydrophobicContact CG1-CB 3.94Å; Y418-A499 HydrophobicContact CD1-CB 4.14Å; Y418-A499 HydrophobicContact CE1-CB 4.17Å; L419-A499 HydrophobicContact CD1-CB 4.25Å; L419-A499 HydrophobicContact CD2-CB 3.55Å; L419-A499 HydrophobicContact CG-CB 3.74Å; T495-A499 PolarHBondContact O-N 3.27Å; K496-A499 WeakPolarHBondContact O-CB 3.45Å; K496-A499 PolarHBondContact O-N 2.71Å; A499-F502 PolarHBondContact O-N 3.14Å; A499-L503 WeakPolarHBondContact O-CB 3.42Å; A499-L503 WeakPolarHBondContact O-CD1 3.34Å; A499-L503 WeakPolarHBondContact O-CG 3.33Å; A499-L503 PolarHBondContact O-N 3.06Å
500	D	98.1	Very high	98.4	Very high	17 Å²	17	17.3 Å²	17.3	9%	0.091	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-44.5	175.6	-77.9	-15.1	0	0	0	111.9	R43 F44 Y418 K496 E497 D498 L503 A504	R43-D500 IonicContact CZ-OD1 3.62Å; R43-D500 IonicContact CZ-OD2 2.74Å; R43-D500 IonicContact NH1-OD1 2.8Å; R43-D500 PolarHBondContact NH1-OD1 2.88Å; R43-D500 IonicContact NH1-OD2 2.66Å; R43-D500 PolarHBondContact NH1-OD2 3.25Å; R43-D500 IonicContact NH2-OD2 3.66Å; R43-D500 PolarHBondContact NH2-OD2 3.31Å; F44-D500 HydrophobicContact CE1-CB 4.35Å; F44-D500 HydrophobicContact CE2-CB 4.16Å; F44-D500 HydrophobicContact CZ-CB 3.55Å; Y418-D500 VanDerWaalsContact CE1-OD1 3.24Å; Y418-D500 WeakPolarHBondContact CE1-OD1 3.13Å; Y418-D500 VanDerWaalsContact CZ-OD1 3.25Å; Y418-D500 PolarHBondContact OH-OD1 3.15Å; K496-D500 WeakPolarHBondContact O-CB 3.34Å; K496-D500 VanDerWaalsContact O-CG 3.26Å; K496-D500 PolarHBondContact O-N 2.99Å; E497-D500 PolarHBondContact O-N 3.46Å; D498-D500 VanDerWaalsContact C-N 3.34Å; D500-L503 PolarHBondContact O-N 3.46Å; D500-A504 PolarHBondContact O-N 2.96Å
501	F	98.5	Very high	98.3	Very high	12 Å²	12	18.5 Å²	18.5	5%	0.053	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-48.7	174	177.6	-106.9	0	0	0	112.1	I49 P50 M52 P53 L111 V474 E497 D498 L503 A504 V505	I49-F501 HydrophobicContact CG2-CD2 4.42Å; I49-F501 HydrophobicContact CG2-CE2 4.01Å; P50-F501 HydrophobicContact CG-CD2 4.3Å; P50-F501 VanDerWaalsContact O-CD2 3.24Å; P50-F501 WeakPolarHBondContact O-CD2 3.12Å; P50-F501 VanDerWaalsContact O-CE2 3.25Å; P50-F501 WeakPolarHBondContact O-CE2 3.44Å; M52-F501 HydrophobicContact CB-CD1 4.4Å; M52-F501 HydrophobicContact CB-CD2 4.28Å; M52-F501 HydrophobicContact CB-CE1 4Å; M52-F501 HydrophobicContact CB-CE2 3.89Å; M52-F501 HydrophobicContact CB-CZ 3.74Å; M52-F501 HydrophobicContact CE-CE1 3.66Å; M52-F501 HydrophobicContact CE-CZ 3.9Å; M52-F501 HydrophobicContact CG-CD1 4.16Å; M52-F501 HydrophobicContact CG-CE1 3.89Å; M52-F501 HydrophobicContact CG-CZ 4.16Å; P53-F501 HydrophobicContact CG-CB 4.42Å; L111-F501 HydrophobicContact CD2-CD1 3.97Å; V474-F501 HydrophobicContact CG2-CD1 3.93Å; V474-F501 HydrophobicContact CG2-CE1 3.43Å; V474-F501 VanDerWaalsContact CG2-CE1 3.43Å; V474-F501 HydrophobicContact CG2-CZ 4.32Å; E497-F501 PolarHBondContact O-N 3.29Å; D498-F501 PolarHBondContact O-N 2.83Å; F501-L503 PolarHBondContact O-N 3.05Å; F501-A504 PolarHBondContact O-N 3.46Å; F501-V505 HydrophobicContact CD1-CG2 4.49Å; F501-V505 HydrophobicContact CD2-CG2 4.38Å; F501-V505 HydrophobicContact CE1-CG2 4.09Å; F501-V505 HydrophobicContact CE2-CG2 3.96Å; F501-V505 HydrophobicContact CZ-CG2 3.8Å; F501-V505 WeakPolarHBondContact O-CG2 3.44Å; F501-V505 PolarHBondContact O-N 3.47Å
502	F	98.7	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.9	-43.3	175.9	162.7	-115.5	0	0	0	112.6	L111 L113 L419 L423 V474 I476 I488 D498 A499 A504 V505 F506	L111-F502 HydrophobicContact CD2-CB 4.45Å; L113-F502 HydrophobicContact CD1-CB 3.88Å; L113-F502 HydrophobicContact CD1-CD2 4.13Å; L113-F502 HydrophobicContact CD1-CG 3.98Å; L113-F502 HydrophobicContact CD2-CB 4.14Å; L113-F502 HydrophobicContact CD2-CD1 3.77Å; L113-F502 HydrophobicContact CD2-CD2 4.41Å; L113-F502 HydrophobicContact CD2-CE1 4.32Å; L113-F502 HydrophobicContact CD2-CG 3.82Å; L419-F502 HydrophobicContact CD2-CD1 3.7Å; L419-F502 HydrophobicContact CD2-CE1 4.12Å; L423-F502 HydrophobicContact CD1-CE1 4.3Å; L423-F502 HydrophobicContact CD2-CE1 4.14Å; L423-F502 HydrophobicContact CD2-CZ 4.31Å; V474-F502 HydrophobicContact CG1-CD2 3.91Å; I476-F502 HydrophobicContact CG2-CD2 4.42Å; I476-F502 HydrophobicContact CG2-CE2 3.91Å; I488-F502 HydrophobicContact CD1-CE1 4.19Å; I488-F502 HydrophobicContact CD1-CE2 3.91Å; I488-F502 HydrophobicContact CD1-CZ 3.44Å; I488-F502 VanDerWaalsContact CD1-CZ 3.44Å; I488-F502 HydrophobicContact CG1-CE1 4.18Å; I488-F502 HydrophobicContact CG1-CZ 3.81Å; I488-F502 HydrophobicContact CG2-CE1 4.11Å; I488-F502 HydrophobicContact CG2-CZ 4.44Å; D498-F502 PolarHBondContact O-N 2.98Å; A499-F502 PolarHBondContact O-N 3.14Å; F502-A504 VanDerWaalsContact C-N 3.33Å; F502-A504 PolarHBondContact O-N 3.22Å; F502-V505 PolarHBondContact O-N 2.98Å; F502-F506 HydrophobicContact CD2-CB 4.25Å; F502-F506 HydrophobicContact CE2-CB 3.77Å; F502-F506 HydrophobicContact CE2-CD2 4.08Å; F502-F506 HydrophobicContact CE2-CG 4.09Å; F502-F506 HydrophobicContact CZ-CB 4.13Å; F502-F506 HydrophobicContact CZ-CD2 4.34Å; F502-F506 HydrophobicContact CZ-CG 4.17Å; F502-F506 VanDerWaalsContact O-CB 3.3Å; F502-F506 WeakPolarHBondContact O-CB 3.41Å; F502-F506 PolarHBondContact O-N 2.95Å
503	L	98.6	Very high	98.1	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-41.2	179.6	-74.9	164.3	0	0	0	111.8	F44 Y418 L419 E422 L423 A499 D500 F501 N507	F44-L503 HydrophobicContact CD2-CB 4.18Å; F44-L503 HydrophobicContact CE2-CB 4.21Å; Y418-L503 HydrophobicContact CE1-CD1 3.91Å; L419-L503 HydrophobicContact CD2-CD1 4.29Å; L419-L503 HydrophobicContact CD2-CD2 4.41Å; L419-L503 HydrophobicContact CD2-CG 4.11Å; E422-L503 HydrophobicContact CB-CD1 3.52Å; E422-L503 HydrophobicContact CB-CD2 3.67Å; E422-L503 HydrophobicContact CB-CG 4.24Å; E422-L503 HydrophobicContact CG-CD1 3.84Å; L423-L503 HydrophobicContact CD2-CD2 3.94Å; L423-L503 HydrophobicContact CG-CD2 3.85Å; A499-L503 WeakPolarHBondContact O-CB 3.42Å; A499-L503 WeakPolarHBondContact O-CD1 3.34Å; A499-L503 WeakPolarHBondContact O-CG 3.33Å; A499-L503 PolarHBondContact O-N 3.06Å; D500-L503 PolarHBondContact O-N 3.46Å; F501-L503 PolarHBondContact O-N 3.05Å; L503-N507 WeakPolarHBondContact O-CB 3.24Å; L503-N507 PolarHBondContact O-N 3.05Å
504	A	98.4	Very high	97.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-47.7	175	0	0	0	0	0	112	F44 P50 D500 F501 F502 F506 N507 K508	F44-A504 HydrophobicContact CB-CB 4.15Å; F44-A504 HydrophobicContact CD1-CB 4.25Å; F44-A504 HydrophobicContact CG-CB 4.03Å; P50-A504 HydrophobicContact CG-CB 4.06Å; D500-A504 PolarHBondContact O-N 2.96Å; F501-A504 PolarHBondContact O-N 3.46Å; F502-A504 VanDerWaalsContact C-N 3.33Å; F502-A504 PolarHBondContact O-N 3.22Å; A504-F506 PolarHBondContact O-N 2.93Å; A504-N507 PolarHBondContact O-N 2.87Å; A504-K508 WeakPolarHBondContact O-CB 3.47Å; A504-K508 PolarHBondContact O-N 2.89Å
505	V	98.6	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.7	-45.2	175.9	167.6	0	0	0	0	111.9	I49 V469 M472 V474 F501 F502 K508 S509	I49-V505 HydrophobicContact CG2-CG2 3.67Å; V469-V505 HydrophobicContact CB-CG1 4.38Å; V469-V505 HydrophobicContact CG1-CG1 4.07Å; V469-V505 HydrophobicContact CG2-CG1 4.43Å; M472-V505 HydrophobicContact CB-CB 4.5Å; M472-V505 HydrophobicContact CB-CG1 3.65Å; M472-V505 HydrophobicContact CB-CG2 4.11Å; M472-V505 HydrophobicContact CE-CG1 4.06Å; M472-V505 HydrophobicContact SD-CG1 4.29Å; V474-V505 HydrophobicContact CB-CG1 4.25Å; V474-V505 HydrophobicContact CG2-CB 4.14Å; V474-V505 HydrophobicContact CG2-CG1 3.92Å; V474-V505 HydrophobicContact CG2-CG2 4.06Å; F501-V505 HydrophobicContact CD1-CG2 4.49Å; F501-V505 HydrophobicContact CD2-CG2 4.38Å; F501-V505 HydrophobicContact CE1-CG2 4.09Å; F501-V505 HydrophobicContact CE2-CG2 3.96Å; F501-V505 HydrophobicContact CZ-CG2 3.8Å; F501-V505 WeakPolarHBondContact O-CG2 3.44Å; F501-V505 PolarHBondContact O-N 3.47Å; F502-V505 PolarHBondContact O-N 2.98Å; V505-K508 PolarHBondContact O-N 3.33Å; V505-S509 WeakPolarHBondContact O-CB 3.35Å; V505-S509 PolarHBondContact O-N 2.85Å
506	F	98.6	Very high	97.2	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-69.7	-41.8	-179.1	-169.2	-103.7	0	0	0	112.1	L423 L426 I433 V445 M447 I465 V469 F486 F502 A504 K508 S509 V510	L423-F506 HydrophobicContact CD2-CD1 3.87Å; L423-F506 HydrophobicContact CD2-CE1 4.18Å; L426-F506 HydrophobicContact CD1-CD1 3.89Å; I433-F506 HydrophobicContact CD1-CE1 4.23Å; V445-F506 HydrophobicContact CG1-CE1 4.12Å; V445-F506 HydrophobicContact CG1-CZ 4.01Å; M447-F506 HydrophobicContact SD-CZ 4.45Å; I465-F506 HydrophobicContact CG2-CE2 4.38Å; V469-F506 HydrophobicContact CG2-CD2 4.01Å; F486-F506 AromaticContact CD2-CE2 3.65Å; F486-F506 HydrophobicContact CD2-CE2 3.65Å; F486-F506 AromaticContact CD2-CZ 3.8Å; F486-F506 HydrophobicContact CD2-CZ 3.8Å; F486-F506 AromaticContact CE2-CE2 3.88Å; F486-F506 HydrophobicContact CE2-CE2 3.88Å; F486-F506 HydrophobicContact CE2-CZ 4.16Å; F486-F506 HydrophobicContact CG-CE2 4.21Å; F502-F506 HydrophobicContact CD2-CB 4.25Å; F502-F506 HydrophobicContact CE2-CB 3.77Å; F502-F506 HydrophobicContact CE2-CD2 4.08Å; F502-F506 HydrophobicContact CE2-CG 4.09Å; F502-F506 HydrophobicContact CZ-CB 4.13Å; F502-F506 HydrophobicContact CZ-CD2 4.34Å; F502-F506 HydrophobicContact CZ-CG 4.17Å; F502-F506 VanDerWaalsContact O-CB 3.3Å; F502-F506 WeakPolarHBondContact O-CB 3.41Å; F502-F506 PolarHBondContact O-N 2.95Å; A504-F506 PolarHBondContact O-N 2.93Å; F506-K508 VanDerWaalsContact C-N 3.35Å; F506-S509 PolarHBondContact O-N 3.15Å; F506-V510 HydrophobicContact CD1-CG2 4.31Å; F506-V510 HydrophobicContact CE1-CG2 3.95Å; F506-V510 HydrophobicContact CE2-CG2 4.47Å; F506-V510 HydrophobicContact CZ-CG2 4.03Å; F506-V510 WeakPolarHBondContact O-CG2 3.49Å; F506-V510 PolarHBondContact O-N 3.34Å
507	N	98.3	Very high	96.2	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-43.7	172.3	178.1	45	0	0	0	111.5	F44 S45 L426 Y430 L503 A504 H511	F44-N507 PolarHBondContact O-ND2 3.12Å; F44-N507 VanDerWaalsContact O-ND2 3.12Å; S45-N507 PolarHBondContact O-ND2 3.3Å; L426-N507 HydrophobicContact CD1-CB 4.06Å; L426-N507 HydrophobicContact CD2-CB 3.84Å; L426-N507 WeakPolarHBondContact CD2-OD1 3.48Å; Y430-N507 PolarHBondContact OH-OD1 3.19Å; Y430-N507 VanDerWaalsContact OH-OD1 3.1Å; L503-N507 WeakPolarHBondContact O-CB 3.24Å; L503-N507 PolarHBondContact O-N 3.05Å; A504-N507 PolarHBondContact O-N 2.87Å; N507-H511 VanDerWaalsContact O-CB 3.31Å; N507-H511 WeakPolarHBondContact O-CB 3.36Å; N507-H511 PolarHBondContact O-N 2.97Å
508	K	97.6	Very high	96.1	Very high	47 Å²	47	34.8 Å²	34.8	20%	0.204	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-48.2	175.2	-180	61.1	173.8	166.5	0	111.2	H46 I49 M472 A504 V505 F506 H511 N512	H46-K508 WeakPolarHBondContact O-CD 3.45Å; H46-K508 WeakPolarHBondContact O-CE 3.48Å; H46-K508 PolarHBondContact O-NZ 3.44Å; I49-K508 HydrophobicContact CD1-CB 4.43Å; I49-K508 HydrophobicContact CD1-CG 4.01Å; I49-K508 HydrophobicContact CG1-CB 4.3Å; I49-K508 HydrophobicContact CG1-CG 4.19Å; M472-K508 HydrophobicContact CE-CB 4.38Å; M472-K508 HydrophobicContact CE-CG 4.22Å; M472-K508 HydrophobicContact SD-CB 4.13Å; M472-K508 HydrophobicContact SD-CG 3.73Å; A504-K508 WeakPolarHBondContact O-CB 3.47Å; A504-K508 PolarHBondContact O-N 2.89Å; V505-K508 PolarHBondContact O-N 3.33Å; F506-K508 VanDerWaalsContact C-N 3.35Å; K508-H511 WeakPolarHBondContact O-CB 3.44Å; K508-H511 PolarHBondContact O-N 3.39Å; K508-N512 WeakPolarHBondContact CD-OD1 3.29Å; K508-N512 WeakPolarHBondContact CE-OD1 3.35Å; K508-N512 PolarHBondContact NZ-OD1 3.05Å; K508-N512 WeakPolarHBondContact O-CB 3.16Å; K508-N512 PolarHBondContact O-N 3.39Å; K508-N512 PolarHBondContact O-ND2 3.41Å; K508-N512 PolarHBondContact O-OD1 3Å
509	S	97.9	Very high	96	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-45.3	-176.4	-168.7	0	0	0	0	113.1	I465 D468 V505 F506 H511 N512 Y513	I465-S509 PolarHBondContact O-OG 2.87Å; D468-S509 WeakPolarHBondContact CB-OG 3.24Å; D468-S509 WeakPolarHBondContact OD2-CA 3.39Å; D468-S509 VanDerWaalsContact OD2-CB 3.29Å; D468-S509 WeakPolarHBondContact OD2-CB 3.4Å; D468-S509 PolarHBondContact OD2-OG 3.23Å; V505-S509 WeakPolarHBondContact O-CB 3.35Å; V505-S509 PolarHBondContact O-N 2.85Å; F506-S509 PolarHBondContact O-N 3.15Å; S509-H511 VanDerWaalsContact C-N 3.3Å; S509-H511 PolarHBondContact O-N 3.47Å; S509-N512 PolarHBondContact O-N 3.16Å; S509-Y513 PolarHBondContact O-N 2.94Å
510	V	97.9	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-41.7	174.3	171.2	0	0	0	0	110.7	Y430 I432 I433 I465 F506 Y513 M514	Y430-V510 HydrophobicContact CD1-CG1 3.74Å; Y430-V510 HydrophobicContact CD2-CB 4.45Å; Y430-V510 HydrophobicContact CD2-CG1 3.52Å; Y430-V510 HydrophobicContact CE1-CG1 3.99Å; Y430-V510 HydrophobicContact CE2-CB 4.38Å; Y430-V510 HydrophobicContact CE2-CG1 3.8Å; Y430-V510 HydrophobicContact CG-CG1 3.49Å; Y430-V510 VanDerWaalsContact CG-CG1 3.49Å; I432-V510 HydrophobicContact CD1-CG1 4.17Å; I432-V510 HydrophobicContact CG1-CG1 4.45Å; I433-V510 HydrophobicContact CD1-CG1 4.28Å; I433-V510 HydrophobicContact CD1-CG2 4.32Å; I465-V510 HydrophobicContact CG2-CG2 4.27Å; F506-V510 HydrophobicContact CD1-CG2 4.31Å; F506-V510 HydrophobicContact CE1-CG2 3.95Å; F506-V510 HydrophobicContact CE2-CG2 4.47Å; F506-V510 HydrophobicContact CZ-CG2 4.03Å; F506-V510 WeakPolarHBondContact O-CG2 3.49Å; F506-V510 PolarHBondContact O-N 3.34Å; V510-Y513 PolarHBondContact O-N 3.37Å; V510-M514 VanDerWaalsContact O-CG 3.27Å; V510-M514 WeakPolarHBondContact O-CG 3.46Å; V510-M514 PolarHBondContact O-N 2.86Å; V510-M514 VanDerWaalsContact O-N 3.08Å
511	H	97.1	Very high	95.7	Very high	25 Å²	25	39.9 Å²	39.9	12%	0.116	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-47.8	174.6	178.7	63.2	0	0	0	112.9	H46 Y430 N507 K508 S509 Y513 M514 E515	H46-H511 HydrophobicContact CB-CB 3.96Å; H46-H511 AromaticContact CD2-CD2 3.31Å; H46-H511 PolarHBondContact CD2-CD2 2.97Å; H46-H511 AromaticContact CD2-CE1 3.6Å; H46-H511 AromaticContact CD2-NE2 2.98Å; H46-H511 PolarHBondContact CD2-NE2 3.49Å; H46-H511 AromaticContact CG-CD2 3.59Å; H46-H511 AromaticContact CG-CE1 3.95Å; H46-H511 AromaticContact CG-CG 3.89Å; H46-H511 AromaticContact CG-NE2 3.62Å; H46-H511 AromaticContact NE2-NE2 3.66Å; Y430-H511 WeakPolarHBondContact OH-CB 3.31Å; N507-H511 VanDerWaalsContact O-CB 3.31Å; N507-H511 WeakPolarHBondContact O-CB 3.36Å; N507-H511 PolarHBondContact O-N 2.97Å; K508-H511 WeakPolarHBondContact O-CB 3.44Å; K508-H511 PolarHBondContact O-N 3.39Å; S509-H511 VanDerWaalsContact C-N 3.3Å; S509-H511 PolarHBondContact O-N 3.47Å; H511-Y513 PolarHBondContact O-N 2.89Å; H511-M514 PolarHBondContact O-N 2.93Å; H511-E515 VanDerWaalsContact CE1-CD 3.4Å; H511-E515 WeakPolarHBondContact CE1-CG 3.45Å; H511-E515 IonicContact CE1-OE1 3.8Å; H511-E515 PolarHBondContact CE1-OE1 3.43Å; H511-E515 IonicContact ND1-OE1 3.31Å; H511-E515 PolarHBondContact O-N 2.99Å
512	N	96.1	Very high	95.6	Very high	35 Å²	35	41.7 Å²	41.7	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-55.5	-38.4	178.6	-69.8	-16.3	0	0	0	112.1	D468 K508 S509 K516	D468-N512 PolarHBondContact OD2-ND2 3.27Å; K508-N512 WeakPolarHBondContact CD-OD1 3.29Å; K508-N512 WeakPolarHBondContact CE-OD1 3.35Å; K508-N512 PolarHBondContact NZ-OD1 3.05Å; K508-N512 WeakPolarHBondContact O-CB 3.16Å; K508-N512 PolarHBondContact O-N 3.39Å; K508-N512 PolarHBondContact O-ND2 3.41Å; K508-N512 PolarHBondContact O-OD1 3Å; S509-N512 PolarHBondContact O-N 3.16Å; N512-K516 WeakPolarHBondContact O-CD 3.43Å; N512-K516 WeakPolarHBondContact O-CE 3.28Å; N512-K516 WeakPolarHBondContact O-CG 3.47Å
513	Y	96.4	Very high	95.4	Very high	6 Å²	6	44.5 Å²	44.5	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-70.2	-41.2	175	165.3	-90.4	0	0	0	112.1	I432 D461 I465 S509 V510 H511 K516 R517	I432-Y513 HydrophobicContact CD1-CD1 3.53Å; I432-Y513 HydrophobicContact CD1-CE1 3.49Å; I432-Y513 VanDerWaalsContact CD1-CE1 3.49Å; I432-Y513 HydrophobicContact CG2-CE1 4.34Å; D461-Y513 HydrophobicContact CB-CE2 3.62Å; D461-Y513 WeakPolarHBondContact CB-OH 3.21Å; D461-Y513 VanDerWaalsContact CG-OH 3.31Å; D461-Y513 PolarHBondContact OD2-OH 3.01Å; D461-Y513 VanDerWaalsContact OD2-OH 3.07Å; I465-Y513 HydrophobicContact CD1-CD1 4.03Å; I465-Y513 HydrophobicContact CD1-CD2 4.47Å; I465-Y513 HydrophobicContact CD1-CG 3.97Å; I465-Y513 HydrophobicContact CG1-CD1 4.49Å; I465-Y513 HydrophobicContact CG1-CD2 4.3Å; I465-Y513 HydrophobicContact CG1-CG 3.93Å; S509-Y513 PolarHBondContact O-N 2.94Å; V510-Y513 PolarHBondContact O-N 3.37Å; H511-Y513 PolarHBondContact O-N 2.89Å; Y513-K516 PolarHBondContact O-N 3.08Å; Y513-R517 VanDerWaalsContact OH-CZ 3.26Å; Y513-R517 PolarHBondContact OH-NH1 3.31Å
514	M	95.3	Very high	95.1	Very high	60 Å²	60	47.3 Å²	47.3	30%	0.296	21%	0.206	S	C	.	.	H	α-helix	trans	-66.6	-36.9	179.1	-69.6	-60.8	-52.6	0	0	113	Y430 I432 V510 H511 K516 R517	Y430-M514 HydrophobicContact CD1-CG 3.97Å; Y430-M514 HydrophobicContact CE1-CG 4.24Å; I432-M514 HydrophobicContact CD1-SD 3.92Å; I432-M514 HydrophobicContact CG1-SD 4.15Å; I432-M514 HydrophobicContact CG2-SD 3.86Å; V510-M514 VanDerWaalsContact O-CG 3.27Å; V510-M514 WeakPolarHBondContact O-CG 3.46Å; V510-M514 PolarHBondContact O-N 2.86Å; V510-M514 VanDerWaalsContact O-N 3.08Å; H511-M514 PolarHBondContact O-N 2.93Å; M514-K516 PolarHBondContact O-N 3.16Å; M514-R517 PolarHBondContact O-N 3.39Å
515	E	92.8	Very high	94.9	Very high	138 Å²	138	50.8 Å²	50.8	65%	0.645	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.9	178.8	-65.4	-65.1	126.9	0	0	113.9	H511 R517	H511-E515 VanDerWaalsContact CE1-CD 3.4Å; H511-E515 WeakPolarHBondContact CE1-CG 3.45Å; H511-E515 IonicContact CE1-OE1 3.8Å; H511-E515 PolarHBondContact CE1-OE1 3.43Å; H511-E515 IonicContact ND1-OE1 3.31Å; H511-E515 PolarHBondContact O-N 2.99Å; E515-R517 VanDerWaalsContact C-N 3.32Å
516	K	89.6	Confident	94.6	Very high	140 Å²	140	55.1 Å²	55.1	61%	0.609	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	1.7	176.7	-67.9	171.6	-167	176.4	0	113.1	E464 N512 Y513 M514	E464-K516 VanDerWaalsContact OE1-CD 3.28Å; E464-K516 WeakPolarHBondContact OE1-CD 3.37Å; E464-K516 WeakPolarHBondContact OE1-CE 3.29Å; E464-K516 IonicContact OE1-NZ 3.54Å; E464-K516 PolarHBondContact OE1-NZ 2.98Å; N512-K516 WeakPolarHBondContact O-CD 3.43Å; N512-K516 WeakPolarHBondContact O-CE 3.28Å; N512-K516 WeakPolarHBondContact O-CG 3.47Å; Y513-K516 PolarHBondContact O-N 3.08Å; M514-K516 PolarHBondContact O-N 3.16Å
517	R	77.4	Confident	94.2	Very high	205 Å²	205	60 Å²	60	77%	0.774	26%	0.262	S	S	*	.			trans	-129.9	0	-173	-70	-164.5	161.6	-168.2	-2.5	112.6	D461 Y513 M514 E515	D461-R517 IonicContact OD1-CZ 2.76Å; D461-R517 IonicContact OD1-NH1 2.62Å; D461-R517 IonicContact OD1-NH2 3.51Å; D461-R517 PolarHBondContact OD1-NH2 3.04Å; D461-R517 IonicContact OD2-CZ 3.88Å; D461-R517 IonicContact OD2-NH1 2.85Å; D461-R517 PolarHBondContact OD2-NH1 3.37Å; D461-R517 IonicContact OD2-NH2 3.2Å; D461-R517 PolarHBondContact OD2-NH2 3.09Å; Y513-R517 VanDerWaalsContact OH-CZ 3.26Å; Y513-R517 PolarHBondContact OH-NH1 3.31Å; M514-R517 PolarHBondContact O-N 3.39Å; E515-R517 VanDerWaalsContact C-N 3.32Å

Retrieved 517 of 517 residues in 565.9 ms (Link to these results)

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