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Carboxypeptidase

Protective protein appears to be essential for both the activity of beta-galactosidase and neuraminidase, it associates with these enzymes and exerts a protective function necessary for their stability and activity. This protein is also a carboxypeptidase and can deamidate tachykinins.

AlphaFold DB , UniProt , Accession A0A096NX27, Species PAPAN (Papio anubis, Olive baboon), Gene CTSA, Length 494 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	41.2	Very low	41.3	Very low	248 Å²	248	145.1 Å²	145.1	100%	1.222	86%	0.862	S	S	*	*				0	133	0	-69.5	173	179.4	0	0	107.4
2	T	34.1	Very low	40.8	Very low	143 Å²	143	149.8 Å²	149.8	88%	0.877	87%	0.869	S	S	*	*			trans	-120.1	140.3	-162.9	42.8	0	0	0	0	112.3
3	S	37	Very low	40.1	Very low	119 Å²	119	143.5 Å²	143.5	83%	0.832	86%	0.856	S	S	*	*			trans	-149.8	107.8	166.7	55.8	0	0	0	0	111.8
4	S	39.3	Very low	39.7	Very low	118 Å²	118	146.9 Å²	146.9	83%	0.825	86%	0.858	S	S	*	*			trans	14.4	165	138.5	-112.2	0	0	0	0	121.9
5	P	56.5	Low	39.3	Very low	106 Å²	106	154.6 Å²	154.6	69%	0.688	87%	0.867	S	S	*	*			cis	-146.4	173.7	15.6	36.5	-13.7	0	0	0	120.2
6	R	36	Very low	38.9	Very low	237 Å²	237	149.4 Å²	149.4	89%	0.894	86%	0.859	S	S	*	*			trans	61.7	112.8	157.6	-70.5	169.9	-172	-169.4	2.2	118.7
7	A	39.9	Very low	38.8	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	86%	0.857	S	S	*	*				91	155.6	62.5	0	0	0	0	0	113.2
8	P	53.8	Low	38.5	Very low	123 Å²	123	148.9 Å²	148.9	80%	0.799	86%	0.858	S	S	*	*			cis	-107.9	-139.2	-5.1	41.2	-25.6	0	0	0	110.1
9	P	48.6	Very low	38.3	Very low	129 Å²	129	150.9 Å²	150.9	84%	0.838	86%	0.862	S	S	*	*			cis	-132.5	-164.9	-19.3	41.5	-22.7	0	0	0	114.7
10	G	34.4	Very low	38.2	Very low	77 Å²	77	151.6 Å²	151.6	79%	0.794	86%	0.861	S	S	*	*			trans	156.2	114.8	160.5	0	0	0	0	0	116.3
11	E	34	Very low	38.4	Very low	204 Å²	204	156.3 Å²	156.3	95%	0.953	87%	0.865	S	S	*	*			trans	-94.2	145.9	178	-71	-179.8	136	0	0	113.8
12	Q	34.4	Very low	38.1	Very low	202 Å²	202	149.1 Å²	149.1	94%	0.944	85%	0.845	S	S	*	*			trans	-122.5	152	162.1	-59.2	173.8	-7.8	0	0	106.1
13	G	31.8	Very low	38.7	Very low	68 Å²	68	146.7 Å²	146.7	70%	0.701	84%	0.84	S	S	*	*			cis	173.6	-179.7	1.7	0	0	0	0	0	108.7
14	H	34.5	Very low	39	Very low	191 Å²	191	146.6 Å²	146.6	88%	0.884	84%	0.836	S	S	*	*			trans	68.7	101.5	176.3	-65.5	-41.4	0	0	0	119.7
15	W	33.7	Very low	39.3	Very low	262 Å²	262	145.8 Å²	145.8	99%	0.992	83%	0.828	S	S	*	*			trans	-122	155.3	138.5	-67.6	82.6	0	0	0	105.7
16	G	32.8	Very low	38.8	Very low	71 Å²	71	148.3 Å²	148.3	73%	0.732	84%	0.835	S	S	*	*			cis	139.2	117.2	16.2	0	0	0	0	0	105.8
17	A	37	Very low	39.2	Very low	100 Å²	100	143.8 Å²	143.8	83%	0.826	83%	0.827	S	S	*	*			trans	-90.2	137.9	-172.8	0	0	0	0	0	111.7
18	E	33.4	Very low	39.2	Very low	190 Å²	190	148 Å²	148	89%	0.888	83%	0.829	S	S	*	*			trans	-170.8	145.5	136.8	-109.9	172.6	-179.1	0	0	112.1
19	M	36.1	Very low	38.6	Very low	188 Å²	188	149 Å²	149	93%	0.926	83%	0.827	S	S	*	*			trans	-99.7	123.3	176.5	-79.8	-173.5	-82.2	0	0	110.7
20	I	35.1	Very low	38.2	Very low	163 Å²	163	149.7 Å²	149.7	84%	0.836	82%	0.823	S	S	*	*			trans	-131.1	138.8	157.4	-60.2	-175.9	0	0	0	109.4
21	R	41.9	Very low	38.5	Very low	251 Å²	251	152.2 Å²	152.2	95%	0.947	82%	0.818	S	S	*	*			trans	-67	134.4	-166	-63.9	169.3	173.2	172	-4.2	113.3
22	A	34.9	Very low	39	Very low	98 Å²	98	149.7 Å²	149.7	81%	0.81	81%	0.81	S	S	*	*			trans	-116.6	143.3	160.9	0	0	0	0	0	110
23	A	46.9	Very low	39.5	Very low	92 Å²	92	147.5 Å²	147.5	76%	0.76	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-73.1	149.5	179.3	0	0	0	0	0	111.8
24	P	44.3	Very low	40.3	Very low	117 Å²	117	149.5 Å²	149.5	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.5	139.6	175.3	29.7	-34	0	0	0	110.8
25	P	44	Very low	40.8	Very low	101 Å²	101	144.4 Å²	144.4	66%	0.656	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.1	148.4	-178.9	30.6	-34.7	0	0	0	112	L27	P25-L27 PolarHBondContact O-N 3.46Å
26	L	47.9	Very low	41.2	Very low	159 Å²	159	144.6 Å²	144.6	83%	0.832	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-62.9	6.9	179.3	-89.1	95.4	0	0	0	115.8	F28	L26-F28 PolarHBondContact O-N 2.86Å
27	L	43.4	Very low	41.6	Very low	141 Å²	141	144.3 Å²	144.3	74%	0.738	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-78.4	-14.8	-172.7	-113.9	76	0	0	0	115.2	P25	P25-L27 PolarHBondContact O-N 3.46Å
28	F	40.7	Very low	41.6	Very low	180 Å²	180	145.4 Å²	145.4	79%	0.789	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-87.1	-5.3	-175.9	-104.2	-83.2	0	0	0	115.4	L26	L26-F28 PolarHBondContact O-N 2.86Å
29	L	39.6	Very low	42.2	Very low	145 Å²	145	147.7 Å²	147.7	76%	0.759	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-96.4	-1.9	-179.6	-96.9	150.7	0	0	0	114.4
30	L	41.2	Very low	42.6	Very low	143 Å²	143	141.4 Å²	141.4	75%	0.749	76%	0.762	S	S	*	*	S	Bend	trans	-100.6	0.7	-178.4	-98.9	149	0	0	0	114.6
31	L	41.6	Very low	43.5	Very low	131 Å²	131	142 Å²	142	69%	0.686	76%	0.761	S	S	*	*	S	Bend	trans	-104.8	3.1	179	-79.5	163.3	0	0	0	114.4
32	L	43.6	Very low	45.1	Very low	151 Å²	151	133.2 Å²	133.2	79%	0.791	74%	0.742	S	S	*	*	S	Bend	trans	-103.5	9.3	177.1	-79.1	166.1	0	0	0	114.1
33	L	45.9	Very low	47.6	Very low	155 Å²	155	128.8 Å²	128.8	81%	0.812	71%	0.706	S	S	*	*			trans	-106.6	34.4	172	-73.5	170.2	0	0	0	112.3	S35	L33-S35 PolarHBondContact O-N 2.91Å
34	V	47.5	Very low	49.8	Very low	111 Å²	111	125.2 Å²	125.2	67%	0.673	68%	0.675	S	S	*	*			trans	-73.2	85	165	-178.2	0	0	0	0	108.5
35	S	44.2	Very low	52.2	Low	84 Å²	84	126.1 Å²	126.1	59%	0.587	67%	0.673	S	S	*	*			trans	35.7	88.4	150.2	60.1	0	0	0	0	116.4	L33 A37	L33-S35 PolarHBondContact O-N 2.91Å; S35-A37 PolarHBondContact O-N 2.91Å
36	W	42.9	Very low	54.7	Low	266 Å²	266	128.4 Å²	128.4	100%	1.008	68%	0.675	S	S	*	*			trans	-68.4	63.7	139.4	-81.6	27.8	0	0	0	109.1
37	A	40.4	Very low	57.1	Low	65 Å²	65	121.7 Å²	121.7	54%	0.537	64%	0.64	S	S	.	*			trans	-67.7	134	147.6	0	0	0	0	0	105.4	S35 R39	S35-A37 PolarHBondContact O-N 2.91Å; A37-R39 PolarHBondContact O-N 3.08Å
38	P	38.8	Very low	59.7	Low	123 Å²	123	117 Å²	117	80%	0.799	62%	0.615	S	S	*	*			trans	-57.3	115	164.3	25.8	-31.1	0	0	0	106	G40	P38-G40 PolarHBondContact O-N 2.95Å; P38-G40 VanDerWaalsContact O-N 3.08Å
39	R	44.8	Very low	62.5	Low	238 Å²	238	108.9 Å²	108.9	90%	0.898	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-57.4	117	154.6	-70.7	-178.1	179	-177.3	-1.3	103.3	A37 E41	A37-R39 PolarHBondContact O-N 3.08Å; R39-E41 PolarHBondContact O-N 3.17Å
40	G	45.8	Very low	65.2	Low	56 Å²	56	108.2 Å²	108.2	58%	0.577	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-51.9	128.3	166.5	0	0	0	0	0	106.1	P38 A42	P38-G40 PolarHBondContact O-N 2.95Å; P38-G40 VanDerWaalsContact O-N 3.08Å; G40-A42 PolarHBondContact O-N 3.3Å
41	E	53.3	Low	67.8	Low	175 Å²	175	110.9 Å²	110.9	82%	0.818	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-54	133	165.4	-73.3	171	138.1	0	0	106.1	R39 P179	R39-E41 PolarHBondContact O-N 3.17Å; E41-P179 WeakPolarHBondContact O-CG 3.21Å
42	A	75.3	Confident	70.5	Confident	67 Å²	67	104.8 Å²	104.8	55%	0.554	54%	0.54	S	S	*	.			trans	-67.1	179.3	172	0	0	0	0	0	108.9	G40	G40-A42 PolarHBondContact O-N 3.3Å
43	A	87.3	Confident	73.1	Confident	5 Å²	5	99.4 Å²	99.4	4%	0.041	52%	0.515	C	S	.	.	S	Bend	trans	-29.2	134.5	169.1	0	0	0	0	0	114	D45 Y64 F178 E180	A43-D45 PolarHBondContact O-N 3.36Å; A43-Y64 HydrophobicContact CB-CD1 4.48Å; A43-Y64 HydrophobicContact CB-CE1 3.64Å; A43-Y64 HydrophobicContact CB-CE2 4.38Å; A43-Y64 WeakPolarHBondContact CB-OH 3.4Å; A43-F178 HydrophobicContact CB-CD1 3.45Å; A43-F178 VanDerWaalsContact CB-CD1 3.45Å; A43-F178 HydrophobicContact CB-CE1 3.51Å; A43-E180 PolarHBondContact N-OE1 3.15Å
44	P	93.9	Very high	75.6	Confident	16 Å²	16	93.4 Å²	93.4	10%	0.104	49%	0.49	C	S	.	.			trans	-62.8	103	-173.5	25	-35.5	0	0	0	111.9	Q46 D47 L177 F178	P44-Q46 HydrophobicContact CB-CG 4.17Å; P44-Q46 PolarHBondContact O-N 3.35Å; P44-D47 HydrophobicContact CB-CB 4.36Å; P44-D47 HydrophobicContact CG-CB 4.08Å; P44-D47 VanDerWaalsContact CG-OD2 3.3Å; P44-D47 WeakPolarHBondContact CG-OD2 3.3Å; P44-D47 PolarHBondContact O-N 3.19Å; P44-L177 WeakPolarHBondContact CD-O 3.24Å; P44-L177 HydrophobicContact CG-CB 4.23Å; P44-F178 HydrophobicContact CG-CE2 4.02Å; P44-F178 HydrophobicContact CG-CZ 3.92Å
45	D	94.4	Very high	78	Confident	136 Å²	136	89 Å²	89	73%	0.727	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-49.5	-33.4	176.8	-71.7	-20.2	0	0	0	112.6	A43 D47 E48	A43-D45 PolarHBondContact O-N 3.36Å; D45-D47 VanDerWaalsContact C-N 3.26Å; D45-D47 PolarHBondContact O-N 3.03Å; D45-E48 PolarHBondContact O-N 3.38Å
46	Q	96.3	Very high	80.4	Confident	149 Å²	149	89.9 Å²	89.9	70%	0.696	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.7	179.5	66.8	178.6	16.2	0	0	114.3	P44	P44-Q46 HydrophobicContact CB-CG 4.17Å; P44-Q46 PolarHBondContact O-N 3.35Å
47	D	98.4	Very high	82.9	Confident	18 Å²	18	85 Å²	85	10%	0.096	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-99.8	-4.9	-179.8	-61.7	-29.7	0	0	0	111.5	P44 D45 I49 Y64 S65 Y78 H365	P44-D47 HydrophobicContact CB-CB 4.36Å; P44-D47 HydrophobicContact CG-CB 4.08Å; P44-D47 VanDerWaalsContact CG-OD2 3.3Å; P44-D47 WeakPolarHBondContact CG-OD2 3.3Å; P44-D47 PolarHBondContact O-N 3.19Å; D45-D47 VanDerWaalsContact C-N 3.26Å; D45-D47 PolarHBondContact O-N 3.03Å; D47-I49 PolarHBondContact O-N 3.34Å; D47-Y64 CarbonylContact O-C 3.5Å; D47-Y64 WeakPolarHBondContact O-CA 3.3Å; D47-S65 PolarHBondContact O-N 2.76Å; D47-Y78 PolarHBondContact OD2-OH 3.23Å; D47-H365 VanDerWaalsContact C-CE1 3.41Å; D47-H365 PolarHBondContact O-CE1 3.08Å; D47-H365 VanDerWaalsContact O-CE1 3.25Å; D47-H365 PolarHBondContact O-ND1 3.42Å
48	E	98.6	Very high	85.3	Confident	44 Å²	44	86 Å²	86	21%	0.206	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-69.7	123.1	-177.6	-170.4	-176	-144.6	0	0	112.4	D45 Q50 R62 Y64 H365	D45-E48 PolarHBondContact O-N 3.38Å; E48-Q50 PolarHBondContact O-N 2.91Å; E48-Q50 PolarHBondContact OE2-NE2 2.9Å; E48-R62 VanDerWaalsContact OE1-CD 3.29Å; E48-R62 WeakPolarHBondContact OE1-CD 3.48Å; E48-R62 VanDerWaalsContact OE1-CG 3.22Å; E48-R62 WeakPolarHBondContact OE1-CG 3.47Å; E48-Y64 HydrophobicContact CB-CD1 3.76Å; E48-Y64 HydrophobicContact CB-CE1 3.83Å; E48-Y64 HydrophobicContact CG-CD1 4.23Å; E48-Y64 HydrophobicContact CG-CE1 4.05Å; E48-H365 PolarHBondContact O-CE1 3.2Å
49	I	98.5	Very high	88	Confident	9 Å²	9	81.5 Å²	81.5	5%	0.046	43%	0.425	C	S	.	.			trans	-75.1	87.5	-179.1	-54.7	161.3	0	0	0	109.7	D47 R51 L52 Q63 W79 A363 L364	D47-I49 PolarHBondContact O-N 3.34Å; I49-R51 PolarHBondContact O-N 2.94Å; I49-L52 HydrophobicContact CG2-CB 3.99Å; I49-L52 HydrophobicContact CG2-CD1 4.09Å; I49-Q63 HydrophobicContact CB-CG 4.12Å; I49-Q63 HydrophobicContact CD1-CB 4.22Å; I49-Q63 HydrophobicContact CD1-CG 4.06Å; I49-Q63 PolarHBondContact N-O 2.77Å; I49-W79 HydrophobicContact CD1-CD2 4.3Å; I49-W79 HydrophobicContact CD1-CG 4.4Å; I49-W79 HydrophobicContact CD1-CZ2 4.03Å; I49-A363 HydrophobicContact CG2-CB 4.48Å; I49-A363 WeakPolarHBondContact CG2-O 3.32Å; I49-L364 HydrophobicContact CD1-CD2 3.58Å; I49-L364 HydrophobicContact CG1-CD2 4.06Å
50	Q	95.8	Very high	90.4	Very high	131 Å²	131	75.5 Å²	75.5	61%	0.612	42%	0.419	S	S	*	.	S	Bend	trans	-58.9	-39.8	-176.2	-64.3	-59	-41.9	0	0	114.3	E48	E48-Q50 PolarHBondContact O-N 2.91Å; E48-Q50 PolarHBondContact OE2-NE2 2.9Å
51	R	96.4	Very high	92.9	Very high	198 Å²	198	73.6 Å²	73.6	75%	0.747	40%	0.395	S	S	*	.			trans	-151.5	108.4	178.3	-67.5	-171.3	-176.2	-176.6	1.3	110.9	I49 A363	I49-R51 PolarHBondContact O-N 2.94Å; R51-A363 WeakPolarHBondContact O-CB 3.42Å
52	L	98.2	Very high	95.1	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.021	38%	0.377	C	S	.	.			trans	-84.6	126.6	175.9	-169.8	68.9	0	0	0	110.6	I49 L55 W79 F115 L124 Y354 L364	I49-L52 HydrophobicContact CG2-CB 3.99Å; I49-L52 HydrophobicContact CG2-CD1 4.09Å; L52-L55 HydrophobicContact CB-CD1 4.16Å; L52-L55 HydrophobicContact CD2-CD1 4Å; L52-L55 HydrophobicContact CD2-CG 4.4Å; L52-W79 HydrophobicContact CD1-CH2 3.8Å; L52-W79 HydrophobicContact CD1-CZ2 3.88Å; L52-W79 HydrophobicContact CD2-CH2 3.94Å; L52-W79 HydrophobicContact CD2-CZ2 3.69Å; L52-W79 HydrophobicContact CG-CZ2 4.46Å; L52-F115 HydrophobicContact CD2-CD2 4.24Å; L52-F115 HydrophobicContact CD2-CE1 3.96Å; L52-F115 HydrophobicContact CD2-CE2 3.52Å; L52-F115 HydrophobicContact CD2-CZ 3.38Å; L52-L124 HydrophobicContact CD2-CD1 3.45Å; L52-L124 VanDerWaalsContact CD2-CD1 3.45Å; L52-L124 HydrophobicContact CG-CD1 4.05Å; L52-Y354 WeakPolarHBondContact CD1-OH 3.42Å; L52-Y354 VanDerWaalsContact CG-OH 3.27Å; L52-Y354 WeakPolarHBondContact CG-OH 2.77Å; L52-L364 HydrophobicContact CD1-CD2 4.03Å
53	P	98.3	Very high	96.2	Very high	38 Å²	38	67.8 Å²	67.8	25%	0.247	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	156.3	173	-22.3	34.3	0	0	0	112.4	L55 Y354 V360	P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 2.83Å; P53-Y354 WeakPolarHBondContact O-CE2 3.38Å; P53-Y354 PolarHBondContact O-OH 2.96Å; P53-V360 HydrophobicContact CB-CG2 3.86Å; P53-V360 HydrophobicContact CG-CG2 3.81Å
54	G	98.1	Very high	96.8	Very high	28 Å²	28	68 Å²	68	29%	0.289	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-20.3	178	0	0	0	0	0	115.4	V122 L124	G54-V122 WeakPolarHBondContact CA-O 3.49Å; G54-L124 PolarHBondContact O-N 3.48Å
55	L	97.6	Very high	97	Very high	18 Å²	18	67.2 Å²	67.2	9%	0.094	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-81.2	122.8	173.8	-74.3	178.4	0	0	0	112.1	L52 P53 K57 P59 F115 L124 Y126	L52-L55 HydrophobicContact CB-CD1 4.16Å; L52-L55 HydrophobicContact CD2-CD1 4Å; L52-L55 HydrophobicContact CD2-CG 4.4Å; P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 2.83Å; L55-K57 VanDerWaalsContact C-N 3.26Å; L55-K57 PolarHBondContact O-N 3.03Å; L55-P59 HydrophobicContact CD1-CG 3.84Å; L55-F115 HydrophobicContact CD1-CD1 4.04Å; L55-F115 HydrophobicContact CD1-CE1 4.16Å; L55-F115 HydrophobicContact CD2-CB 4Å; L55-F115 HydrophobicContact CD2-CD1 4Å; L55-F115 HydrophobicContact CD2-CG 4.08Å; L55-L124 HydrophobicContact CD2-CB 3.67Å; L55-L124 HydrophobicContact CD2-CD1 4.34Å; L55-L124 HydrophobicContact CG-CB 4.08Å; L55-L124 HydrophobicContact CG-CD1 4.07Å; L55-Y126 HydrophobicContact CD2-CD2 4.39Å; L55-Y126 HydrophobicContact CD2-CE2 3.89Å
56	A	95.1	Very high	97.2	Very high	103 Å²	103	60.8 Å²	60.8	85%	0.851	31%	0.312	S	S	*	.	S	Bend	trans	-68.9	-21.8	173	0	0	0	0	0	113.6
57	K	95.2	Very high	97.3	Very high	163 Å²	163	55.5 Å²	55.5	71%	0.709	29%	0.286	S	S	*	.	S	Bend	trans	-140.4	132.3	175.5	-66	178.8	-176.8	172.1	0	109.2	L55 Y126	L55-K57 VanDerWaalsContact C-N 3.26Å; L55-K57 PolarHBondContact O-N 3.03Å; K57-Y126 PolarHBondContact O-OH 3.35Å
58	Q	91.1	Very high	97.3	Very high	87 Å²	87	54.7 Å²	54.7	41%	0.407	28%	0.282	S	S	.	.			trans	-65.9	149.5	178.5	-65.3	-58.3	-42.1	0	0	111.5	Y126	Q58-Y126 PolarHBondContact O-OH 2.79Å
59	P	96.3	Very high	97.3	Very high	29 Å²	29	58.3 Å²	58.3	19%	0.188	30%	0.297	C	S	.	.			trans	-59.2	152.7	-179.2	-27.4	38.1	0	0	0	114.2	L55 F61 Y126	L55-P59 HydrophobicContact CD1-CG 3.84Å; P59-F61 VanDerWaalsContact C-N 3.34Å; P59-F61 HydrophobicContact CB-CD1 4.09Å; P59-F61 HydrophobicContact CB-CD2 4.43Å; P59-F61 HydrophobicContact CB-CE1 3.82Å; P59-F61 HydrophobicContact CB-CE2 4.15Å; P59-F61 HydrophobicContact CB-CG 4.37Å; P59-F61 HydrophobicContact CB-CZ 3.82Å; P59-F61 WeakPolarHBondContact CB-O 3.29Å; P59-F61 HydrophobicContact CG-CZ 4.33Å; P59-Y126 VanDerWaalsContact CA-OH 3.3Å; P59-Y126 WeakPolarHBondContact CA-OH 3.29Å
60	S	95.1	Very high	97.3	Very high	111 Å²	111	57.9 Å²	57.9	78%	0.776	30%	0.295	S	S	*	.	S	Bend	trans	-92.1	4.3	171.1	60.9	0	0	0	0	113.5
61	F	98.4	Very high	97.4	Very high	17 Å²	17	52.4 Å²	52.4	8%	0.075	27%	0.271	C	S	.	.	S	Bend	trans	-130.5	150	179.5	57.1	-88.2	0	0	0	107.9	P59 V81 Q84 P114 F115 Y126 N132	P59-F61 VanDerWaalsContact C-N 3.34Å; P59-F61 HydrophobicContact CB-CD1 4.09Å; P59-F61 HydrophobicContact CB-CD2 4.43Å; P59-F61 HydrophobicContact CB-CE1 3.82Å; P59-F61 HydrophobicContact CB-CE2 4.15Å; P59-F61 HydrophobicContact CB-CG 4.37Å; P59-F61 HydrophobicContact CB-CZ 3.82Å; P59-F61 WeakPolarHBondContact CB-O 3.29Å; P59-F61 HydrophobicContact CG-CZ 4.33Å; F61-V81 HydrophobicContact CE2-CB 4.18Å; F61-V81 HydrophobicContact CE2-CG1 4.43Å; F61-Q84 HydrophobicContact CD1-CB 4.36Å; F61-Q84 HydrophobicContact CD1-CG 3.58Å; F61-Q84 HydrophobicContact CE1-CG 3.92Å; F61-Q84 HydrophobicContact CG-CG 4.16Å; F61-P114 HydrophobicContact CE1-CB 4.17Å; F61-P114 HydrophobicContact CE2-CB 4.13Å; F61-P114 HydrophobicContact CE2-CG 4.09Å; F61-P114 HydrophobicContact CZ-CB 3.41Å; F61-P114 VanDerWaalsContact CZ-CB 3.41Å; F61-P114 HydrophobicContact CZ-CG 3.83Å; F61-F115 HydrophobicContact CZ-CE1 4.49Å; F61-Y126 HydrophobicContact CE1-CE1 4.49Å; F61-N132 WeakPolarHBondContact CD2-ND2 3.4Å; F61-N132 WeakPolarHBondContact CE2-ND2 3.43Å
62	R	98.6	Very high	97.4	Very high	115 Å²	115	46.1 Å²	46.1	43%	0.434	27%	0.268	S	S	.	.			trans	-77.5	155.2	177.7	-62.8	176.9	-64	-135.6	-8.9	110.9	E48 Y64 E82	E48-R62 VanDerWaalsContact OE1-CD 3.29Å; E48-R62 WeakPolarHBondContact OE1-CD 3.48Å; E48-R62 VanDerWaalsContact OE1-CG 3.22Å; E48-R62 WeakPolarHBondContact OE1-CG 3.47Å; R62-Y64 HydrophobicContact CB-CE2 3.9Å; R62-Y64 WeakPolarHBondContact CD-OH 3.46Å; R62-Y64 PolarHBondContact NE-OH 3.12Å; R62-E82 HydrophobicContact CB-CG 4.33Å; R62-E82 WeakPolarHBondContact CB-OE1 3.3Å; R62-E82 IonicContact CZ-OE1 3.29Å; R62-E82 VanDerWaalsContact CZ-OE1 3.29Å; R62-E82 IonicContact CZ-OE2 3.52Å; R62-E82 IonicContact NE-OE1 2.76Å; R62-E82 PolarHBondContact NE-OE1 2.84Å; R62-E82 IonicContact NE-OE2 3.34Å; R62-E82 PolarHBondContact NE-OE2 3.36Å; R62-E82 VanDerWaalsContact NH2-CD 3.34Å; R62-E82 IonicContact NH2-OE1 3.03Å; R62-E82 PolarHBondContact NH2-OE1 3.2Å; R62-E82 IonicContact NH2-OE2 2.83Å; R62-E82 PolarHBondContact NH2-OE2 3.26Å; R62-E82 WeakPolarHBondContact O-CB 3.39Å; R62-E82 PolarHBondContact O-N 2.84Å
63	Q	98.8	Very high	97.4	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.023	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144.5	178.3	47.5	159.9	5	0	0	109.5	I49 F80 V81	I49-Q63 HydrophobicContact CB-CG 4.12Å; I49-Q63 HydrophobicContact CD1-CB 4.22Å; I49-Q63 HydrophobicContact CD1-CG 4.06Å; I49-Q63 PolarHBondContact N-O 2.77Å; Q63-F80 CarbonylContact C-O 3.58Å; Q63-F80 WeakPolarHBondContact CA-O 3.39Å; Q63-F80 WeakPolarHBondContact CB-O 3.42Å; Q63-V81 HydrophobicContact CB-CB 4.49Å; Q63-V81 HydrophobicContact CB-CG1 3.91Å
64	Y	98.9	Very high	97.4	Very high	8 Å²	8	46.9 Å²	46.9	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.4	-170.5	-50	-104.2	0	0	0	109	A43 D47 E48 R62 W79 F80 E82 F178	A43-Y64 HydrophobicContact CB-CD1 4.48Å; A43-Y64 HydrophobicContact CB-CE1 3.64Å; A43-Y64 HydrophobicContact CB-CE2 4.38Å; A43-Y64 WeakPolarHBondContact CB-OH 3.4Å; D47-Y64 CarbonylContact O-C 3.5Å; D47-Y64 WeakPolarHBondContact O-CA 3.3Å; E48-Y64 HydrophobicContact CB-CD1 3.76Å; E48-Y64 HydrophobicContact CB-CE1 3.83Å; E48-Y64 HydrophobicContact CG-CD1 4.23Å; E48-Y64 HydrophobicContact CG-CE1 4.05Å; R62-Y64 HydrophobicContact CB-CE2 3.9Å; R62-Y64 WeakPolarHBondContact CD-OH 3.46Å; R62-Y64 PolarHBondContact NE-OH 3.12Å; Y64-W79 CarbonylContact O-C 3.47Å; Y64-W79 WeakPolarHBondContact O-CA 3.29Å; Y64-F80 AromaticContact CD2-CD1 3.78Å; Y64-F80 HydrophobicContact CD2-CD1 3.78Å; Y64-F80 HydrophobicContact CD2-CE1 4.5Å; Y64-F80 HydrophobicContact CE2-CD1 4.27Å; Y64-F80 PolarHBondContact N-O 3.3Å; Y64-F80 PolarHBondContact O-N 2.85Å; Y64-E82 HydrophobicContact CE2-CG 4.19Å; Y64-E82 VanDerWaalsContact CE2-OE1 3.32Å; Y64-E82 WeakPolarHBondContact CE2-OE1 3.47Å; Y64-E82 PolarHBondContact OH-OE1 2.91Å; Y64-F178 HydrophobicContact CD1-CE1 4.12Å; Y64-F178 HydrophobicContact CD1-CZ 4.25Å; Y64-F178 AromaticContact CD2-CE1 3.75Å; Y64-F178 HydrophobicContact CD2-CE1 3.75Å; Y64-F178 HydrophobicContact CD2-CZ 4.12Å; Y64-F178 HydrophobicContact CE1-CE1 4.29Å; Y64-F178 AromaticContact CE2-CE1 3.93Å; Y64-F178 HydrophobicContact CE2-CE1 3.93Å; Y64-F178 AromaticContact CG-CE1 3.85Å; Y64-F178 HydrophobicContact CG-CE1 3.85Å; Y64-F178 AromaticContact CG-CZ 3.86Å; Y64-F178 HydrophobicContact CG-CZ 3.86Å
65	S	98.9	Very high	97.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	129	175.6	171.7	0	0	0	0	109.3	D47 Y78 L364 H365	D47-S65 PolarHBondContact O-N 2.76Å; S65-Y78 WeakPolarHBondContact CA-O 3.4Å; S65-Y78 PolarHBondContact OG-O 3.33Å; S65-L364 WeakPolarHBondContact OG-CB 3.4Å; S65-L364 PolarHBondContact OG-O 3.17Å; S65-L364 VanDerWaalsContact OG-O 3.11Å; S65-H365 PolarHBondContact O-ND1 3.41Å
66	G	98.8	Very high	97.5	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-153.9	-166.9	0	0	0	0	0	110.1	H77 Y78	G66-H77 WeakPolarHBondContact O-CA 3.23Å; G66-H77 PolarHBondContact O-CD2 2.85Å; G66-H77 VanDerWaalsContact O-CD2 3.31Å; G66-Y78 PolarHBondContact N-O 2.95Å; G66-Y78 VanDerWaalsContact O-CD1 3.27Å; G66-Y78 WeakPolarHBondContact O-CD1 3.45Å; G66-Y78 PolarHBondContact O-N 2.74Å
67	Y	98.9	Very high	97.7	Very high	39 Å²	39	42 Å²	42	15%	0.153	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.8	-174.8	-68.8	-92.2	0	0	0	112.7	H75 L76 H77 F148 Y150 P367 L370	Y67-H75 HydrophobicContact CD1-CB 3.87Å; Y67-H75 HydrophobicContact CG-CB 4.45Å; Y67-L76 WeakPolarHBondContact CA-O 3.42Å; Y67-H77 HydrophobicContact CD1-CB 4.14Å; Y67-H77 HydrophobicContact CE1-CB 3.66Å; Y67-F148 WeakPolarHBondContact CE1-O 3.14Å; Y67-F148 PolarHBondContact OH-O 2.96Å; Y67-Y150 HydrophobicContact CD1-CD1 4.27Å; Y67-Y150 AromaticContact CD1-CE1 3.88Å; Y67-Y150 HydrophobicContact CD1-CE1 3.88Å; Y67-Y150 AromaticContact CE1-CD1 3.78Å; Y67-Y150 HydrophobicContact CE1-CD1 3.78Å; Y67-Y150 AromaticContact CE1-CE1 3.64Å; Y67-Y150 HydrophobicContact CE1-CE1 3.64Å; Y67-P367 HydrophobicContact CE2-CG 4.19Å; Y67-P367 WeakPolarHBondContact OH-CD 3.42Å; Y67-L370 HydrophobicContact CE1-CD1 4.41Å; Y67-L370 WeakPolarHBondContact OH-CD1 3.49Å
68	L	98.9	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.3	169.2	-55.4	178.8	0	0	0	109.7	G70 L76 Y78 L138 L140 A170 F174 L177	L68-G70 PolarHBondContact O-N 3.16Å; L68-L76 PolarHBondContact N-O 3.42Å; L68-L76 PolarHBondContact O-N 3.36Å; L68-Y78 HydrophobicContact CD1-CD1 4.37Å; L68-Y78 HydrophobicContact CD1-CG 4.34Å; L68-Y78 HydrophobicContact CD2-CD1 3.77Å; L68-Y78 HydrophobicContact CD2-CE1 3.88Å; L68-Y78 HydrophobicContact CD2-CG 4.39Å; L68-Y78 HydrophobicContact CG-CD1 3.61Å; L68-Y78 HydrophobicContact CG-CE1 4.24Å; L68-Y78 HydrophobicContact CG-CG 4.07Å; L68-L138 HydrophobicContact CD1-CD2 4.44Å; L68-L140 HydrophobicContact CD1-CD1 3.86Å; L68-A170 HydrophobicContact CB-CB 3.76Å; L68-A170 HydrophobicContact CD1-CB 4.32Å; L68-A170 WeakPolarHBondContact CD1-O 3.26Å; L68-F174 HydrophobicContact CD1-CB 3.84Å; L68-F174 HydrophobicContact CD2-CB 3.91Å; L68-L177 HydrophobicContact CD2-CD1 3.82Å
69	K	98.6	Very high	98.3	Very high	121 Å²	121	30 Å²	30	53%	0.526	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.8	177.9	-173.4	171.7	178.9	176.9	0	111.3	E169 A170 D173	K69-E169 CarbonylContact O-C 3.53Å; K69-A170 WeakPolarHBondContact O-CA 3.48Å; K69-A170 PolarHBondContact O-N 2.96Å; K69-D173 HydrophobicContact CB-CB 4.47Å; K69-D173 WeakPolarHBondContact CB-OD2 3.43Å; K69-D173 PolarHBondContact N-OD2 3Å
70	G	97.9	Very high	98.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.			trans	-89.9	-168.8	168.6	0	0	0	0	0	112.6	L68 G72 K74 S166	L68-G70 PolarHBondContact O-N 3.16Å; G70-G72 PolarHBondContact O-N 2.97Å; G70-K74 PolarHBondContact N-O 2.85Å; G70-S166 WeakPolarHBondContact CA-OG 3.36Å
71	S	96.6	Very high	98.6	Very high	16 Å²	16	23.4 Å²	23.4	11%	0.112	12%	0.123	C	C	.	.	S	Bend	trans	-73.2	128.4	-172.9	64.2	0	0	0	0	113.9	S73 K74 S166 E169	S71-S73 PolarHBondContact O-N 2.93Å; S71-K74 WeakPolarHBondContact O-CD 3.36Å; S71-K74 WeakPolarHBondContact O-CG 3.22Å; S71-K74 PolarHBondContact O-NZ 2.89Å; S71-K74 PolarHBondContact OG-NZ 2.92Å; S71-S166 PolarHBondContact N-OG 3.13Å; S71-E169 WeakPolarHBondContact CA-OE2 3.35Å; S71-E169 WeakPolarHBondContact CB-OE2 3.27Å
72	G	97.3	Very high	98.6	Very high	66 Å²	66	22.8 Å²	22.8	68%	0.68	12%	0.121	S	C	*	.	S	Bend	trans	76.9	-117.6	-176.9	0	0	0	0	0	112.3	G70	G70-G72 PolarHBondContact O-N 2.97Å
73	S	98	Very high	98.6	Very high	31 Å²	31	17.4 Å²	17.4	22%	0.217	10%	0.101	C	C	.	.	S	Bend	trans	-100.6	19.3	-179.9	52.1	0	0	0	0	113	S71 H75 S151 D152	S71-S73 PolarHBondContact O-N 2.93Å; S73-H75 PolarHBondContact O-CD2 2.59Å; S73-S151 WeakPolarHBondContact O-CA 3.41Å; S73-S151 WeakPolarHBondContact O-CB 3.46Å; S73-D152 PolarHBondContact O-N 3.14Å
74	K	98.8	Very high	98.6	Very high	26 Å²	26	20.1 Å²	20.1	11%	0.113	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.9	-175	-65.5	178.1	-169.1	82.2	0	111.3	G70 S71 A144 E162 S166	G70-K74 PolarHBondContact N-O 2.85Å; S71-K74 WeakPolarHBondContact O-CD 3.36Å; S71-K74 WeakPolarHBondContact O-CG 3.22Å; S71-K74 PolarHBondContact O-NZ 2.89Å; S71-K74 PolarHBondContact OG-NZ 2.92Å; K74-A144 HydrophobicContact CB-CB 4.1Å; K74-A144 HydrophobicContact CD-CB 4.15Å; K74-A144 HydrophobicContact CG-CB 3.82Å; K74-E162 VanDerWaalsContact CE-OE1 3.28Å; K74-E162 WeakPolarHBondContact CE-OE1 3.17Å; K74-E162 IonicContact NZ-OE1 2.81Å; K74-E162 PolarHBondContact NZ-OE1 3Å; K74-S166 WeakPolarHBondContact CD-OG 3.47Å
75	H	98.9	Very high	98.6	Very high	46 Å²	46	27.4 Å²	27.4	21%	0.213	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	110	175.2	-63.5	-84.2	0	0	0	108.2	Y67 S73 S149 Y150 D152	Y67-H75 HydrophobicContact CD1-CB 3.87Å; Y67-H75 HydrophobicContact CG-CB 4.45Å; S73-H75 PolarHBondContact O-CD2 2.59Å; H75-S149 CarbonylContact O-C 3.51Å; H75-S149 WeakPolarHBondContact O-CA 3.32Å; H75-Y150 HydrophobicContact CB-CD1 3.96Å; H75-Y150 HydrophobicContact CB-CE1 3.6Å; H75-Y150 HydrophobicContact CB-CE2 4.18Å; H75-Y150 HydrophobicContact CB-CG 4.42Å; H75-Y150 AromaticContact CD2-CE2 3.6Å; H75-Y150 AromaticContact CD2-CZ 3.73Å; H75-Y150 AromaticContact CG-CZ 3.72Å; H75-Y150 PolarHBondContact N-O 2.83Å; H75-Y150 PolarHBondContact O-N 3.23Å; H75-D152 IonicContact NE2-OD1 3.43Å; H75-D152 IonicContact NE2-OD2 3.53Å
76	L	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.5	-178.5	-56.7	-170.2	0	0	0	109.3	Y67 L68 Y78 L140 A144 S149 A170	Y67-L76 WeakPolarHBondContact CA-O 3.42Å; L68-L76 PolarHBondContact N-O 3.42Å; L68-L76 PolarHBondContact O-N 3.36Å; L76-Y78 PolarHBondContact O-N 2.9Å; L76-L140 HydrophobicContact CB-CD1 3.68Å; L76-L140 HydrophobicContact CB-CG 4.47Å; L76-L140 HydrophobicContact CD1-CD1 4.45Å; L76-L140 HydrophobicContact CD1-CD2 4.29Å; L76-L140 HydrophobicContact CD1-CG 4.49Å; L76-A144 HydrophobicContact CD2-CB 4.16Å; L76-S149 WeakPolarHBondContact CA-OG 3.41Å; L76-A170 HydrophobicContact CD1-CB 3.88Å
77	H	98.9	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.5	174.6	173.6	-107.5	0	0	0	110.1	G66 Y67 L105 E141 F148 S149	G66-H77 WeakPolarHBondContact O-CA 3.23Å; G66-H77 PolarHBondContact O-CD2 2.85Å; G66-H77 VanDerWaalsContact O-CD2 3.31Å; Y67-H77 HydrophobicContact CD1-CB 4.14Å; Y67-H77 HydrophobicContact CE1-CB 3.66Å; H77-L105 WeakPolarHBondContact NE2-CD1 3.33Å; H77-E141 HydrophobicContact CB-CB 4.42Å; H77-E141 WeakPolarHBondContact CE1-CG 3.39Å; H77-E141 IonicContact CE1-OE1 3.92Å; H77-E141 IonicContact CE1-OE2 3.73Å; H77-E141 PolarHBondContact CE1-OE2 3.43Å; H77-E141 IonicContact CG-OE2 3.94Å; H77-E141 IonicContact ND1-OE2 2.78Å; H77-E141 PolarHBondContact ND1-OE2 3.19Å; H77-E141 PolarHBondContact O-N 3.15Å; H77-F148 HydrophobicContact CB-CB 3.82Å; H77-F148 AromaticContact CE1-CD2 3.72Å; H77-F148 AromaticContact ND1-CD2 3.82Å; H77-S149 PolarHBondContact N-OG 2.93Å
78	Y	98.9	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.1	175	79.9	-86	0	0	0	111.4	D47 S65 G66 L68 L76 F80 L138 Y139 F178	D47-Y78 PolarHBondContact OD2-OH 3.23Å; S65-Y78 WeakPolarHBondContact CA-O 3.4Å; S65-Y78 PolarHBondContact OG-O 3.33Å; G66-Y78 PolarHBondContact N-O 2.95Å; G66-Y78 VanDerWaalsContact O-CD1 3.27Å; G66-Y78 WeakPolarHBondContact O-CD1 3.45Å; G66-Y78 PolarHBondContact O-N 2.74Å; L68-Y78 HydrophobicContact CD1-CD1 4.37Å; L68-Y78 HydrophobicContact CD1-CG 4.34Å; L68-Y78 HydrophobicContact CD2-CD1 3.77Å; L68-Y78 HydrophobicContact CD2-CE1 3.88Å; L68-Y78 HydrophobicContact CD2-CG 4.39Å; L68-Y78 HydrophobicContact CG-CD1 3.61Å; L68-Y78 HydrophobicContact CG-CE1 4.24Å; L68-Y78 HydrophobicContact CG-CG 4.07Å; L76-Y78 PolarHBondContact O-N 2.9Å; Y78-F80 HydrophobicContact CD2-CB 3.77Å; Y78-F80 HydrophobicContact CE2-CB 3.74Å; Y78-L138 HydrophobicContact CD2-CD1 3.66Å; Y78-L138 HydrophobicContact CG-CD1 4.07Å; Y78-Y139 CarbonylContact C-O 3.58Å; Y78-Y139 VanDerWaalsContact CA-O 3.31Å; Y78-Y139 WeakPolarHBondContact CA-O 3.46Å; Y78-F178 AromaticContact CE2-CE2 3.99Å; Y78-F178 HydrophobicContact CE2-CE2 3.99Å; Y78-F178 HydrophobicContact CE2-CZ 4.01Å; Y78-F178 AromaticContact CZ-CE2 3.9Å; Y78-F178 WeakPolarHBondContact OH-CE2 3.25Å; Y78-F178 WeakPolarHBondContact OH-CZ 3.43Å
79	W	98.9	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	109.6	163.6	-166.4	-23.8	0	0	0	107.7	I49 L52 Y64 L105 L108 F115 Y139 L355 L364	I49-W79 HydrophobicContact CD1-CD2 4.3Å; I49-W79 HydrophobicContact CD1-CG 4.4Å; I49-W79 HydrophobicContact CD1-CZ2 4.03Å; L52-W79 HydrophobicContact CD1-CH2 3.8Å; L52-W79 HydrophobicContact CD1-CZ2 3.88Å; L52-W79 HydrophobicContact CD2-CH2 3.94Å; L52-W79 HydrophobicContact CD2-CZ2 3.69Å; L52-W79 HydrophobicContact CG-CZ2 4.46Å; Y64-W79 CarbonylContact O-C 3.47Å; Y64-W79 WeakPolarHBondContact O-CA 3.29Å; W79-L105 HydrophobicContact CB-CD2 3.82Å; W79-L105 HydrophobicContact CD2-CD2 4.47Å; W79-L105 HydrophobicContact CE3-CD1 4.36Å; W79-L105 HydrophobicContact CE3-CD2 3.81Å; W79-L108 HydrophobicContact CB-CD1 3.86Å; W79-L108 HydrophobicContact CD2-CD1 3.41Å; W79-L108 VanDerWaalsContact CD2-CD1 3.41Å; W79-L108 HydrophobicContact CE3-CD1 3.74Å; W79-L108 HydrophobicContact CG-CD1 3.48Å; W79-L108 VanDerWaalsContact CG-CD1 3.48Å; W79-L108 HydrophobicContact CZ3-CD1 4.4Å; W79-F115 AromaticContact CH2-CE2 3.92Å; W79-F115 HydrophobicContact CH2-CE2 3.92Å; W79-F115 HydrophobicContact CH2-CZ 4.32Å; W79-F115 AromaticContact CZ2-CE2 3.64Å; W79-F115 HydrophobicContact CZ2-CE2 3.64Å; W79-F115 AromaticContact CZ2-CZ 3.59Å; W79-F115 HydrophobicContact CZ2-CZ 3.59Å; W79-Y139 PolarHBondContact N-O 3.25Å; W79-Y139 WeakPolarHBondContact O-CB 3.27Å; W79-Y139 PolarHBondContact O-N 3.39Å; W79-L355 HydrophobicContact CZ3-CD2 4.26Å; W79-L364 HydrophobicContact CD2-CD2 3.89Å; W79-L364 HydrophobicContact CE3-CD1 3.93Å; W79-L364 HydrophobicContact CE3-CD2 3.75Å; W79-L364 HydrophobicContact CH2-CD1 4.11Å; W79-L364 HydrophobicContact CH2-CD2 3.66Å; W79-L364 HydrophobicContact CH2-CG 4.46Å; W79-L364 HydrophobicContact CZ2-CD2 3.73Å; W79-L364 HydrophobicContact CZ3-CD1 3.53Å; W79-L364 HydrophobicContact CZ3-CD2 3.67Å; W79-L364 HydrophobicContact CZ3-CG 4.24Å
80	F	98.9	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.3	179.3	180	-120.4	0	0	0	109.5	Q63 Y64 Y78 E82 N136 V137 L138 F174 F178 Y181	Q63-F80 CarbonylContact C-O 3.58Å; Q63-F80 WeakPolarHBondContact CA-O 3.39Å; Q63-F80 WeakPolarHBondContact CB-O 3.42Å; Y64-F80 AromaticContact CD2-CD1 3.78Å; Y64-F80 HydrophobicContact CD2-CD1 3.78Å; Y64-F80 HydrophobicContact CD2-CE1 4.5Å; Y64-F80 HydrophobicContact CE2-CD1 4.27Å; Y64-F80 PolarHBondContact N-O 3.3Å; Y64-F80 PolarHBondContact O-N 2.85Å; Y78-F80 HydrophobicContact CD2-CB 3.77Å; Y78-F80 HydrophobicContact CE2-CB 3.74Å; F80-E82 HydrophobicContact CE1-CG 4.05Å; F80-N136 HydrophobicContact CE2-CB 3.63Å; F80-N136 HydrophobicContact CZ-CB 3.57Å; F80-V137 WeakPolarHBondContact CA-O 3.41Å; F80-V137 WeakPolarHBondContact CD2-O 3.12Å; F80-L138 HydrophobicContact CB-CD1 3.98Å; F80-L138 HydrophobicContact CD2-CB 3.94Å; F80-L138 HydrophobicContact CD2-CD1 4.22Å; F80-L138 HydrophobicContact CG-CD1 4.49Å; F80-F174 HydrophobicContact CB-CE2 4.5Å; F80-F174 HydrophobicContact CD1-CE2 4.23Å; F80-F174 AromaticContact CD2-CE2 3.87Å; F80-F174 HydrophobicContact CD2-CE2 3.87Å; F80-F174 AromaticContact CD2-CZ 3.96Å; F80-F174 HydrophobicContact CD2-CZ 3.96Å; F80-F174 HydrophobicContact CE1-CE2 4.42Å; F80-F174 HydrophobicContact CE1-CZ 4.32Å; F80-F174 HydrophobicContact CE2-CE2 4.03Å; F80-F174 AromaticContact CE2-CZ 3.64Å; F80-F174 HydrophobicContact CE2-CZ 3.64Å; F80-F174 AromaticContact CG-CE2 3.96Å; F80-F174 HydrophobicContact CG-CE2 3.96Å; F80-F174 HydrophobicContact CG-CZ 4.39Å; F80-F174 HydrophobicContact CZ-CE2 4.29Å; F80-F174 AromaticContact CZ-CZ 3.83Å; F80-F174 HydrophobicContact CZ-CZ 3.83Å; F80-F178 HydrophobicContact CD1-CD1 4.25Å; F80-F178 AromaticContact CD1-CE1 3.71Å; F80-F178 HydrophobicContact CD1-CE1 3.71Å; F80-F178 AromaticContact CD1-CZ 3.99Å; F80-F178 HydrophobicContact CD1-CZ 3.99Å; F80-F178 HydrophobicContact CE1-CD1 4.1Å; F80-F178 AromaticContact CE1-CE1 3.98Å; F80-F178 HydrophobicContact CE1-CE1 3.98Å; F80-Y181 HydrophobicContact CE1-CD2 4.05Å; F80-Y181 AromaticContact CE1-CE2 3.42Å; F80-Y181 HydrophobicContact CE1-CE2 3.42Å; F80-Y181 VanDerWaalsContact CE1-CE2 3.42Å; F80-Y181 AromaticContact CZ-CD2 3.79Å; F80-Y181 HydrophobicContact CZ-CD2 3.79Å; F80-Y181 AromaticContact CZ-CE2 3.47Å; F80-Y181 HydrophobicContact CZ-CE2 3.47Å; F80-Y181 VanDerWaalsContact CZ-CE2 3.47Å; F80-Y181 AromaticContact CZ-CZ 3.92Å
81	V	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.6	177.4	-65.2	0	0	0	0	108.8	F61 Q63 P114 N132 N136 V137 Y139	F61-V81 HydrophobicContact CE2-CB 4.18Å; F61-V81 HydrophobicContact CE2-CG1 4.43Å; Q63-V81 HydrophobicContact CB-CB 4.49Å; Q63-V81 HydrophobicContact CB-CG1 3.91Å; V81-P114 HydrophobicContact CB-CG 4.3Å; V81-P114 HydrophobicContact CG1-CG 3.95Å; V81-P114 HydrophobicContact CG2-CG 4.36Å; V81-N132 HydrophobicContact CB-CB 4.48Å; V81-N132 HydrophobicContact CG2-CB 3.74Å; V81-N136 CarbonylContact O-C 3.52Å; V81-N136 WeakPolarHBondContact O-CA 3.43Å; V81-V137 HydrophobicContact CG2-CB 3.91Å; V81-V137 WeakPolarHBondContact CG2-O 3.46Å; V81-V137 PolarHBondContact N-O 3.28Å; V81-V137 PolarHBondContact O-N 2.85Å; V81-Y139 HydrophobicContact CG2-CD2 4.43Å; V81-Y139 HydrophobicContact CG2-CE2 3.93Å
82	E	98.9	Very high	98.6	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.019	21%	0.211	C	C	.	.			trans	-63.7	156.2	178	-71.3	-171.8	-154.5	0	0	110.9	R62 Y64 F80 Q84 P87 N132 N136 Y181	R62-E82 HydrophobicContact CB-CG 4.33Å; R62-E82 WeakPolarHBondContact CB-OE1 3.3Å; R62-E82 IonicContact CZ-OE1 3.29Å; R62-E82 VanDerWaalsContact CZ-OE1 3.29Å; R62-E82 IonicContact CZ-OE2 3.52Å; R62-E82 IonicContact NE-OE1 2.76Å; R62-E82 PolarHBondContact NE-OE1 2.84Å; R62-E82 IonicContact NE-OE2 3.34Å; R62-E82 PolarHBondContact NE-OE2 3.36Å; R62-E82 VanDerWaalsContact NH2-CD 3.34Å; R62-E82 IonicContact NH2-OE1 3.03Å; R62-E82 PolarHBondContact NH2-OE1 3.2Å; R62-E82 IonicContact NH2-OE2 2.83Å; R62-E82 PolarHBondContact NH2-OE2 3.26Å; R62-E82 WeakPolarHBondContact O-CB 3.39Å; R62-E82 PolarHBondContact O-N 2.84Å; Y64-E82 HydrophobicContact CE2-CG 4.19Å; Y64-E82 VanDerWaalsContact CE2-OE1 3.32Å; Y64-E82 WeakPolarHBondContact CE2-OE1 3.47Å; Y64-E82 PolarHBondContact OH-OE1 2.91Å; F80-E82 HydrophobicContact CE1-CG 4.05Å; E82-Q84 PolarHBondContact O-N 3.41Å; E82-P87 HydrophobicContact CB-CB 3.97Å; E82-P87 HydrophobicContact CG-CB 4.43Å; E82-N132 PolarHBondContact O-ND2 2.92Å; E82-N136 WeakPolarHBondContact CA-OD1 3.43Å; E82-Y181 VanDerWaalsContact CD-OH 3.28Å; E82-Y181 WeakPolarHBondContact CG-OH 3.37Å
83	S	98.9	Very high	98.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	18%	0.178	C	C	.	.			trans	-60.1	133.2	173.4	-172.5	0	0	0	0	110.3	K85 S90 N132 A135 N136	S83-K85 PolarHBondContact O-N 2.81Å; S83-K85 VanDerWaalsContact O-N 3.07Å; S83-K85 PolarHBondContact OG-N 2.85Å; S83-K85 PolarHBondContact OG-O 3.02Å; S83-S90 VanDerWaalsContact CB-CB 3.5Å; S83-S90 VanDerWaalsContact CB-OG 3.29Å; S83-S90 WeakPolarHBondContact CB-OG 3.34Å; S83-S90 PolarHBondContact OG-OG 2.67Å; S83-N132 CarbonylContact C-O 3.55Å; S83-N132 VanDerWaalsContact CA-O 3.26Å; S83-N132 WeakPolarHBondContact CA-O 3.38Å; S83-A135 VanDerWaalsContact CA-O 3.27Å; S83-A135 WeakPolarHBondContact CA-O 3.21Å; S83-A135 PolarHBondContact N-O 3Å; S83-A135 PolarHBondContact OG-N 3.02Å; S83-N136 PolarHBondContact N-OD1 3.18Å
84	Q	98.8	Very high	98.7	Very high	63 Å²	63	34 Å²	34	29%	0.294	17%	0.168	S	C	.	.	S	Bend	trans	-65.3	-11.7	175.3	-51.5	-162.7	25	0	0	112.7	F61 E82 N132 L133	F61-Q84 HydrophobicContact CD1-CB 4.36Å; F61-Q84 HydrophobicContact CD1-CG 3.58Å; F61-Q84 HydrophobicContact CE1-CG 3.92Å; F61-Q84 HydrophobicContact CG-CG 4.16Å; E82-Q84 PolarHBondContact O-N 3.41Å; Q84-N132 WeakPolarHBondContact CG-ND2 3.35Å; Q84-N132 WeakPolarHBondContact CG-O 3.2Å; Q84-N132 PolarHBondContact N-O 3.31Å; Q84-N132 PolarHBondContact NE2-OD1 3.33Å; Q84-L133 HydrophobicContact CB-CD2 4.43Å; Q84-L133 HydrophobicContact CG-CD2 4.29Å
85	K	97.9	Very high	98.8	Very high	160 Å²	160	32.8 Å²	32.8	70%	0.696	16%	0.163	S	C	*	.	S	Bend	trans	-141.2	122.2	177.1	-174.6	-176.8	178.4	-174.6	0	110.5	S83 S90	S83-K85 PolarHBondContact O-N 2.81Å; S83-K85 VanDerWaalsContact O-N 3.07Å; S83-K85 PolarHBondContact OG-N 2.85Å; S83-K85 PolarHBondContact OG-O 3.02Å; K85-S90 PolarHBondContact O-OG 3.07Å
86	D	98.1	Very high	98.8	Very high	88 Å²	88	30.7 Å²	30.7	47%	0.471	15%	0.153	S	C	.	.			trans	52.6	59.9	175.1	-169.7	7.9	0	0	0	113.1	E88 N89 S90	D86-E88 VanDerWaalsContact C-N 3.27Å; D86-E88 PolarHBondContact O-N 3.43Å; D86-N89 PolarHBondContact O-N 2.92Å; D86-N89 PolarHBondContact OD1-ND2 3.33Å; D86-S90 VanDerWaalsContact O-CB 3.29Å; D86-S90 WeakPolarHBondContact O-CB 3.3Å; D86-S90 PolarHBondContact O-N 2.82Å; D86-S90 PolarHBondContact O-OG 3.04Å
87	P	98.4	Very high	98.8	Very high	29 Å²	29	31.1 Å²	31.1	19%	0.188	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62.2	-33	-177.6	26.1	-34.6	0	0	0	112.8	E82 N89 S90 N136 Y181	E82-P87 HydrophobicContact CB-CB 3.97Å; E82-P87 HydrophobicContact CG-CB 4.43Å; P87-N89 PolarHBondContact O-N 2.86Å; P87-S90 PolarHBondContact O-N 3.32Å; P87-N136 WeakPolarHBondContact CA-OD1 3.35Å; P87-N136 VanDerWaalsContact CB-OD1 3.23Å; P87-N136 WeakPolarHBondContact CB-OD1 3.29Å; P87-N136 PolarHBondContact O-ND2 3.21Å; P87-Y181 WeakPolarHBondContact O-CE1 3.15Å
88	E	98.3	Very high	98.7	Very high	150 Å²	150	31.3 Å²	31.3	70%	0.701	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-58.2	-31.5	179.4	-64.7	179.5	-168.3	0	0	113.5	D86 N184	D86-E88 VanDerWaalsContact C-N 3.27Å; D86-E88 PolarHBondContact O-N 3.43Å; E88-N184 PolarHBondContact O-ND2 2.8Å; E88-N184 PolarHBondContact O-OD1 3.34Å
89	N	98.4	Very high	98.7	Very high	113 Å²	113	31.4 Å²	31.4	60%	0.604	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-114.3	-2.3	-178.6	-57.4	-82.5	0	0	0	113.8	D86 P87 N184	D86-N89 PolarHBondContact O-N 2.92Å; D86-N89 PolarHBondContact OD1-ND2 3.33Å; P87-N89 PolarHBondContact O-N 2.86Å; N89-N184 WeakPolarHBondContact CA-OD1 3.35Å; N89-N184 PolarHBondContact O-OD1 2.85Å
90	S	98.8	Very high	98.6	Very high	12 Å²	12	31.4 Å²	31.4	8%	0.084	16%	0.159	C	C	.	.	S	Bend	trans	-76.1	144.4	-179.6	-73.7	0	0	0	0	111.7	S83 K85 D86 P87 N136 N184	S83-S90 VanDerWaalsContact CB-CB 3.5Å; S83-S90 VanDerWaalsContact CB-OG 3.29Å; S83-S90 WeakPolarHBondContact CB-OG 3.34Å; S83-S90 PolarHBondContact OG-OG 2.67Å; K85-S90 PolarHBondContact O-OG 3.07Å; D86-S90 VanDerWaalsContact O-CB 3.29Å; D86-S90 WeakPolarHBondContact O-CB 3.3Å; D86-S90 PolarHBondContact O-N 2.82Å; D86-S90 PolarHBondContact O-OG 3.04Å; P87-S90 PolarHBondContact O-N 3.32Å; S90-N136 PolarHBondContact O-ND2 3.33Å; S90-N184 PolarHBondContact O-OD1 2.84Å
91	P	98.9	Very high	98.6	Very high	20 Å²	20	31.4 Å²	31.4	13%	0.13	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-54.7	143.6	175.7	-24.6	34.7	0	0	0	112.7	V93 N136 K185 F187 L489	P91-V93 HydrophobicContact CB-CG2 4.37Å; P91-N136 PolarHBondContact O-N 2.83Å; P91-K185 CarbonylContact C-O 3.47Å; P91-K185 WeakPolarHBondContact CA-O 3.26Å; P91-K185 HydrophobicContact CB-CB 4.21Å; P91-K185 WeakPolarHBondContact CB-O 3.2Å; P91-K185 HydrophobicContact CG-CB 4.45Å; P91-F187 HydrophobicContact CB-CD2 3.91Å; P91-F187 HydrophobicContact CB-CE2 3.94Å; P91-F187 HydrophobicContact CG-CE2 4.28Å; P91-L489 HydrophobicContact CB-CD2 4.35Å; P91-L489 HydrophobicContact CG-CD1 4.36Å
92	V	98.9	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.8	163.5	178.8	0	0	0	0	108	N136 F174 Y181 N184 K185 L186 F187	V92-N136 CarbonylContact C-O 3.56Å; V92-N136 WeakPolarHBondContact CA-O 3.38Å; V92-F174 HydrophobicContact CG1-CE1 3.99Å; V92-F174 HydrophobicContact CG1-CZ 4.42Å; V92-Y181 HydrophobicContact CG2-CD1 4.21Å; V92-Y181 HydrophobicContact CG2-CG 4.06Å; V92-N184 HydrophobicContact CG2-CB 4.05Å; V92-K185 PolarHBondContact N-O 3.14Å; V92-L186 HydrophobicContact CB-CD1 4.36Å; V92-L186 HydrophobicContact CG1-CD1 4.11Å; V92-L186 CarbonylContact O-C 3.57Å; V92-L186 WeakPolarHBondContact O-CA 3.17Å; V92-F187 PolarHBondContact O-N 2.84Å
93	V	99	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	107.6	-179.3	179.5	0	0	0	0	108.2	P91 A135 N136 V137 L138 F187 T189 F485 L489	P91-V93 HydrophobicContact CB-CG2 4.37Å; V93-A135 HydrophobicContact CB-CB 4.45Å; V93-A135 HydrophobicContact CG2-CB 3.73Å; V93-N136 PolarHBondContact N-O 3.1Å; V93-V137 CarbonylContact O-C 3.56Å; V93-V137 WeakPolarHBondContact O-CA 3.39Å; V93-L138 PolarHBondContact O-N 3.19Å; V93-F187 WeakPolarHBondContact CA-O 3.32Å; V93-F187 HydrophobicContact CG2-CB 4.33Å; V93-T189 HydrophobicContact CG1-CG2 3.94Å; V93-T189 VanDerWaalsContact CG1-OG1 3.3Å; V93-T189 WeakPolarHBondContact CG1-OG1 3.45Å; V93-F485 HydrophobicContact CG1-CE2 4.06Å; V93-F485 HydrophobicContact CG1-CZ 4.33Å; V93-F485 HydrophobicContact CG2-CE2 4.28Å; V93-F485 HydrophobicContact CG2-CZ 4.07Å; V93-L489 HydrophobicContact CG2-CD1 4.42Å; V93-L489 HydrophobicContact CG2-CD2 4.08Å
94	L	99	Very high	98.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.8	167.8	174	70.4	0	0	0	108.5	L96 L138 L140 F187 L188 T189 L201	L94-L96 HydrophobicContact CD1-CD2 4.24Å; L94-L96 HydrophobicContact CD2-CD1 4.24Å; L94-L96 HydrophobicContact CD2-CG 4.19Å; L94-L96 HydrophobicContact CG-CD2 4.47Å; L94-L96 HydrophobicContact CG-CG 4.22Å; L94-L138 HydrophobicContact CD1-CB 4.49Å; L94-L138 HydrophobicContact CD1-CD2 3.97Å; L94-L138 HydrophobicContact CD1-CG 4.07Å; L94-L140 HydrophobicContact CD1-CB 3.78Å; L94-L140 HydrophobicContact CD1-CD2 4.14Å; L94-F187 PolarHBondContact N-O 3.28Å; L94-L188 HydrophobicContact CB-CD2 4.03Å; L94-L188 HydrophobicContact CD2-CD2 3.82Å; L94-T189 CarbonylContact O-C 3.59Å; L94-T189 WeakPolarHBondContact O-CA 3.49Å; L94-T189 PolarHBondContact O-N 2.84Å; L94-T189 PolarHBondContact O-OG1 3.16Å; L94-L201 HydrophobicContact CD2-CD2 3.46Å; L94-L201 VanDerWaalsContact CD2-CD2 3.46Å
95	W	99	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.2	168	179.2	-94.3	0	0	0	111.4	N97 H112 W131 V137 L138 Y139 L140 T189 E191	W95-N97 PolarHBondContact NE1-OD1 3.18Å; W95-H112 AromaticContact CD2-CE1 3.69Å; W95-H112 AromaticContact CD2-NE2 3.12Å; W95-H112 AromaticContact CE2-NE2 3.23Å; W95-H112 AromaticContact CE3-CE1 3.89Å; W95-H112 AromaticContact CE3-NE2 3.31Å; W95-H112 VanDerWaalsContact CE3-NE2 3.31Å; W95-H112 AromaticContact CG-CE1 3.88Å; W95-H112 AromaticContact CG-NE2 3.72Å; W95-H112 AromaticContact CH2-NE2 3.66Å; W95-H112 AromaticContact CZ2-NE2 3.5Å; W95-H112 AromaticContact CZ3-NE2 3.58Å; W95-H112 AromaticContact NE1-NE2 3.86Å; W95-W131 HydrophobicContact CE3-CE3 4.44Å; W95-W131 HydrophobicContact CE3-CH2 4.29Å; W95-W131 AromaticContact CE3-CZ3 3.71Å; W95-W131 HydrophobicContact CE3-CZ3 3.71Å; W95-W131 HydrophobicContact CH2-CH2 4.46Å; W95-W131 AromaticContact CZ3-CH2 3.67Å; W95-W131 HydrophobicContact CZ3-CH2 3.67Å; W95-W131 AromaticContact CZ3-CZ3 3.58Å; W95-W131 HydrophobicContact CZ3-CZ3 3.58Å; W95-V137 HydrophobicContact CB-CG1 4.35Å; W95-L138 PolarHBondContact N-O 2.85Å; W95-Y139 HydrophobicContact CB-CD1 3.96Å; W95-Y139 HydrophobicContact CB-CE1 4.09Å; W95-Y139 AromaticContact CD1-CD1 3.53Å; W95-Y139 AromaticContact CD1-CE1 3.72Å; W95-Y139 AromaticContact CG-CD1 3.97Å; W95-Y139 HydrophobicContact CG-CD1 3.97Å; W95-Y139 AromaticContact CG-CE1 3.95Å; W95-Y139 HydrophobicContact CG-CE1 3.95Å; W95-L140 PolarHBondContact O-N 3.01Å; W95-T189 CarbonylContact C-O 3.51Å; W95-T189 WeakPolarHBondContact CA-O 3.42Å; W95-E191 HydrophobicContact CH2-CB 3.87Å; W95-E191 HydrophobicContact CZ2-CB 3.84Å
96	L	98.9	Very high	98.6	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.6	172.1	-62.4	-179.9	0	0	0	111	L94 S104 L140 T189 G190 E191 A194 I198	L94-L96 HydrophobicContact CD1-CD2 4.24Å; L94-L96 HydrophobicContact CD2-CD1 4.24Å; L94-L96 HydrophobicContact CD2-CG 4.19Å; L94-L96 HydrophobicContact CG-CD2 4.47Å; L94-L96 HydrophobicContact CG-CG 4.22Å; L96-S104 WeakPolarHBondContact CA-OG 3.38Å; L96-L140 HydrophobicContact CD2-CB 3.89Å; L96-L140 HydrophobicContact CD2-CD2 4.41Å; L96-L140 HydrophobicContact CD2-CG 4.39Å; L96-L140 WeakPolarHBondContact CD2-O 3.32Å; L96-T189 PolarHBondContact N-O 3.5Å; L96-G190 CarbonylContact O-C 3.59Å; L96-G190 WeakPolarHBondContact O-CA 3.22Å; L96-E191 PolarHBondContact O-N 3.47Å; L96-A194 HydrophobicContact CB-CB 4.05Å; L96-A194 WeakPolarHBondContact O-CB 3.47Å; L96-I198 HydrophobicContact CB-CD1 4.36Å; L96-I198 HydrophobicContact CD1-CD1 3.81Å; L96-I198 HydrophobicContact CG-CD1 4.17Å
97	N	98.9	Very high	98.6	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.053	10%	0.095	C	C	.	.			trans	-74.7	172.4	161.2	-76.2	87.8	0	0	0	110.5	W95 S103 S104 G107 E111	W95-N97 PolarHBondContact NE1-OD1 3.18Å; N97-S103 WeakPolarHBondContact CB-O 3.35Å; N97-S104 PolarHBondContact N-OG 2.86Å; N97-S104 VanDerWaalsContact N-OG 3.13Å; N97-S104 VanDerWaalsContact OD1-CA 3.29Å; N97-S104 WeakPolarHBondContact OD1-CA 3.38Å; N97-G107 WeakPolarHBondContact OD1-CA 3.37Å; N97-G107 PolarHBondContact OD1-N 2.91Å; N97-E111 PolarHBondContact ND2-OE1 2.85Å
98	G	98.4	Very high	98.7	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	9%	0.086	C	C	.	.			trans	-100.4	-110.6	-171.3	0	0	0	0	0	115.6	P100 G101 C102 E191	G98-P100 WeakPolarHBondContact O-CA 3.47Å; G98-G101 PolarHBondContact O-N 3.01Å; G98-C102 PolarHBondContact O-N 3.35Å; G98-E191 PolarHBondContact N-O 3.47Å
99	G	97.6	Very high	98.7	Very high	3 Å²	3	9.1 Å²	9.1	3%	0.031	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	105	-101.4	-169.4	0	0	0	0	0	112.6	C102 N317	G99-C102 WeakPolarHBondContact CA-SG 3.31Å; G99-N317 PolarHBondContact O-ND2 3.29Å
100	P	97.7	Very high	98.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	cis	-71.3	147.6	10.2	29.6	-35.4	0	0	0	112.1	G98 Y193 Y197 N381 Y384 R386	G98-P100 WeakPolarHBondContact O-CA 3.47Å; P100-Y193 HydrophobicContact CB-CD1 3.87Å; P100-Y193 HydrophobicContact CB-CD2 4.48Å; P100-Y193 HydrophobicContact CB-CE1 4.06Å; P100-Y193 HydrophobicContact CB-CG 4.12Å; P100-Y193 HydrophobicContact CG-CD1 4.49Å; P100-Y193 HydrophobicContact CG-CD2 4.3Å; P100-Y193 HydrophobicContact CG-CE1 4.48Å; P100-Y193 HydrophobicContact CG-CE2 4.24Å; P100-Y193 HydrophobicContact CG-CG 4.42Å; P100-Y197 VanDerWaalsContact CA-OH 3.32Å; P100-Y197 WeakPolarHBondContact CA-OH 3.32Å; P100-Y197 WeakPolarHBondContact CB-OH 3.41Å; P100-N381 WeakPolarHBondContact CD-ND2 3.4Å; P100-N381 WeakPolarHBondContact O-CB 3.38Å; P100-N381 PolarHBondContact O-ND2 3.46Å; P100-Y384 HydrophobicContact CB-CD1 4.03Å; P100-Y384 HydrophobicContact CB-CD2 3.68Å; P100-Y384 HydrophobicContact CB-CE1 4.22Å; P100-Y384 HydrophobicContact CB-CE2 3.86Å; P100-Y384 HydrophobicContact CB-CG 3.77Å; P100-Y384 HydrophobicContact CG-CD1 3.69Å; P100-Y384 HydrophobicContact CG-CD2 4.07Å; P100-Y384 HydrophobicContact CG-CE1 4.25Å; P100-Y384 HydrophobicContact CG-CG 3.6Å; P100-R386 VanDerWaalsContact CD-NH2 3.3Å
101	G	98.1	Very high	98.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	16.9	179.2	0	0	0	0	0	115.4	G98 C376 N377	G98-G101 PolarHBondContact O-N 3.01Å; G101-C376 CarbonylContact O-C 3.44Å; G101-C376 VanDerWaalsContact O-CA 3.31Å; G101-C376 WeakPolarHBondContact O-CA 3.41Å; G101-N377 PolarHBondContact O-N 3.15Å
102	C	98.8	Very high	98.7	Very high	10 Å²	10	4.1 Å²	4.1	7%	0.068	3%	0.026	C	C	.	.	B	Isolated β-bridge	trans	-105	145.9	177.1	-60.3	0	0	0	0	112.1	G98 G99 V146 M375 C376	G98-C102 PolarHBondContact O-N 3.35Å; G99-C102 WeakPolarHBondContact CA-SG 3.31Å; C102-V146 VanDerWaalsContact C-CG1 3.41Å; C102-M375 CarbonylContact C-O 3.49Å; C102-M375 VanDerWaalsContact CA-O 3.27Å; C102-M375 WeakPolarHBondContact CA-O 3.47Å; C102-C376 HydrophobicContact CB-CB 4.09Å; C102-C376 WeakPolarHBondContact CB-SG 3.27Å; C102-C376 WeakPolarHBondContact SG-CB 3.28Å; C102-C376 CovalentContact SG-SG 2.04Å; C102-C376 PolarHBondContact SG-SG 2.98Å
103	S	98.9	Very high	98.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.			trans	-72.9	138.7	-172.1	167.4	0	0	0	0	113.4	N97 L105 D106 E141 W373 M375	N97-S103 WeakPolarHBondContact CB-O 3.35Å; S103-L105 PolarHBondContact O-N 3.35Å; S103-L105 WeakPolarHBondContact OG-CB 3.34Å; S103-L105 PolarHBondContact OG-N 3.2Å; S103-D106 WeakPolarHBondContact O-CB 3.31Å; S103-D106 PolarHBondContact O-N 2.96Å; S103-E141 VanDerWaalsContact CB-OE1 3.26Å; S103-E141 WeakPolarHBondContact CB-OE1 3.46Å; S103-E141 PolarHBondContact OG-OE1 3.1Å; S103-W373 WeakPolarHBondContact OG-CZ2 3.31Å; S103-M375 PolarHBondContact N-O 2.95Å
104	S	98.9	Very high	98.7	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.007	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.2	171.1	-55.9	0	0	0	0	114.2	L96 N97 G107 L108 Y139 L140	L96-S104 WeakPolarHBondContact CA-OG 3.38Å; N97-S104 PolarHBondContact N-OG 2.86Å; N97-S104 VanDerWaalsContact N-OG 3.13Å; N97-S104 VanDerWaalsContact OD1-CA 3.29Å; N97-S104 WeakPolarHBondContact OD1-CA 3.38Å; S104-G107 PolarHBondContact O-N 3.46Å; S104-L108 PolarHBondContact O-N 2.96Å; S104-Y139 VanDerWaalsContact O-CD1 3.25Å; S104-Y139 WeakPolarHBondContact O-CD1 3.48Å; S104-L140 WeakPolarHBondContact CB-O 3.35Å; S104-L140 PolarHBondContact OG-O 2.86Å
105	L	98.9	Very high	98.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-77.4	-10.7	171.5	-56.7	-175.1	0	0	0	112.4	H77 W79 S103 L108 L109 E141 F148 L355 W373	H77-L105 WeakPolarHBondContact NE2-CD1 3.33Å; W79-L105 HydrophobicContact CB-CD2 3.82Å; W79-L105 HydrophobicContact CD2-CD2 4.47Å; W79-L105 HydrophobicContact CE3-CD1 4.36Å; W79-L105 HydrophobicContact CE3-CD2 3.81Å; S103-L105 PolarHBondContact O-N 3.35Å; S103-L105 WeakPolarHBondContact OG-CB 3.34Å; S103-L105 PolarHBondContact OG-N 3.2Å; L105-L108 HydrophobicContact CD2-CD1 4.24Å; L105-L108 PolarHBondContact O-N 2.76Å; L105-L109 WeakPolarHBondContact O-CB 3.42Å; L105-L109 PolarHBondContact O-N 3.34Å; L105-E141 HydrophobicContact CD1-CG 4.41Å; L105-E141 HydrophobicContact CG-CG 3.9Å; L105-F148 HydrophobicContact CD1-CD2 4.18Å; L105-F148 HydrophobicContact CD1-CE2 4.15Å; L105-L355 HydrophobicContact CB-CD1 4.07Å; L105-L355 HydrophobicContact CD1-CD1 3.87Å; L105-L355 HydrophobicContact CD1-CD2 4.14Å; L105-W373 HydrophobicContact CB-CZ2 4.35Å
106	D	98.8	Very high	98.7	Very high	17 Å²	17	6 Å²	6	9%	0.091	4%	0.035	C	C	.	.	H	α-helix	trans	-63.2	-53.1	165.1	-161.9	21.3	0	0	0	109.5	S103 L108 L109 T110 E111 M375	S103-D106 WeakPolarHBondContact O-CB 3.31Å; S103-D106 PolarHBondContact O-N 2.96Å; D106-L108 PolarHBondContact O-N 2.87Å; D106-L109 PolarHBondContact O-N 3.4Å; D106-L109 VanDerWaalsContact O-N 3.1Å; D106-T110 PolarHBondContact O-N 3.39Å; D106-T110 PolarHBondContact O-OG1 3.25Å; D106-T110 WeakPolarHBondContact OD1-CB 3.3Å; D106-T110 WeakPolarHBondContact OD1-CG2 3.42Å; D106-T110 PolarHBondContact OD1-OG1 3.03Å; D106-E111 PolarHBondContact O-N 3.04Å; D106-M375 HydrophobicContact CB-CE 4.15Å; D106-M375 VanDerWaalsContact CG-CE 3.46Å; D106-M375 WeakPolarHBondContact OD1-CE 3.46Å
107	G	98.8	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-55.9	-26.6	173.6	0	0	0	0	0	115.4	N97 S104 E111 H112 G113 Y139	N97-G107 WeakPolarHBondContact OD1-CA 3.37Å; N97-G107 PolarHBondContact OD1-N 2.91Å; S104-G107 PolarHBondContact O-N 3.46Å; G107-E111 WeakPolarHBondContact CA-OE1 3.45Å; G107-E111 PolarHBondContact N-OE1 2.92Å; G107-H112 PolarHBondContact O-N 3.24Å; G107-G113 PolarHBondContact O-N 3.25Å; G107-Y139 VanDerWaalsContact C-CE1 3.4Å
108	L	98.9	Very high	98.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-77.1	-58.1	172	-161.1	163	0	0	0	110.9	W79 S104 L105 D106 G113 F115 Y139	W79-L108 HydrophobicContact CB-CD1 3.86Å; W79-L108 HydrophobicContact CD2-CD1 3.41Å; W79-L108 VanDerWaalsContact CD2-CD1 3.41Å; W79-L108 HydrophobicContact CE3-CD1 3.74Å; W79-L108 HydrophobicContact CG-CD1 3.48Å; W79-L108 VanDerWaalsContact CG-CD1 3.48Å; W79-L108 HydrophobicContact CZ3-CD1 4.4Å; S104-L108 PolarHBondContact O-N 2.96Å; L105-L108 HydrophobicContact CD2-CD1 4.24Å; L105-L108 PolarHBondContact O-N 2.76Å; D106-L108 PolarHBondContact O-N 2.87Å; L108-G113 WeakPolarHBondContact O-CA 3.49Å; L108-G113 PolarHBondContact O-N 3.38Å; L108-F115 HydrophobicContact CD2-CD2 4.14Å; L108-F115 HydrophobicContact CD2-CE2 3.63Å; L108-F115 HydrophobicContact CD2-CZ 4.39Å; L108-Y139 HydrophobicContact CB-CD1 3.83Å; L108-Y139 HydrophobicContact CB-CD2 4.15Å; L108-Y139 HydrophobicContact CB-CE1 3.86Å; L108-Y139 HydrophobicContact CB-CE2 4.16Å; L108-Y139 HydrophobicContact CB-CG 3.97Å; L108-Y139 HydrophobicContact CD1-CD2 3.61Å; L108-Y139 HydrophobicContact CD1-CE2 4Å; L108-Y139 HydrophobicContact CD1-CG 3.97Å; L108-Y139 HydrophobicContact CG-CD2 3.95Å; L108-Y139 HydrophobicContact CG-CE1 4.46Å; L108-Y139 HydrophobicContact CG-CE2 3.86Å; L108-Y139 HydrophobicContact CG-CG 4.26Å
109	L	98.9	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-87.8	-15.1	-166.3	-65.7	176.5	0	0	0	115.1	L105 D106 F115 L116 V117 L124 Y354 L355	L105-L109 WeakPolarHBondContact O-CB 3.42Å; L105-L109 PolarHBondContact O-N 3.34Å; D106-L109 PolarHBondContact O-N 3.4Å; D106-L109 VanDerWaalsContact O-N 3.1Å; L109-F115 HydrophobicContact CD2-CD2 4.25Å; L109-F115 HydrophobicContact CD2-CE2 4.33Å; L109-L116 CarbonylContact O-C 3.55Å; L109-L116 WeakPolarHBondContact O-CA 3.38Å; L109-V117 HydrophobicContact CB-CB 4.3Å; L109-V117 HydrophobicContact CB-CG1 4.07Å; L109-V117 PolarHBondContact O-N 3.14Å; L109-L124 HydrophobicContact CD2-CD2 4.05Å; L109-Y354 HydrophobicContact CD1-CD1 4.01Å; L109-L355 HydrophobicContact CD1-CD1 3.8Å; L109-L355 HydrophobicContact CD1-CD2 3.89Å; L109-L355 HydrophobicContact CD1-CG 3.78Å
110	T	98.7	Very high	98.7	Very high	36 Å²	36	18.8 Å²	18.8	22%	0.221	11%	0.108	C	C	.	.	I	π-helix	trans	-122.8	-27.4	-177.2	74.4	0	0	0	0	113.4	D106 V117 T475	D106-T110 PolarHBondContact O-N 3.39Å; D106-T110 PolarHBondContact O-OG1 3.25Å; D106-T110 WeakPolarHBondContact OD1-CB 3.3Å; D106-T110 WeakPolarHBondContact OD1-CG2 3.42Å; D106-T110 PolarHBondContact OD1-OG1 3.03Å; T110-V117 HydrophobicContact CG2-CG1 4.47Å; T110-T475 PolarHBondContact O-OG1 3.34Å
111	E	98.9	Very high	98.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	11%	0.108	C	C	.	.	I	π-helix	trans	-102.4	-76.4	-174.3	-49.1	-174.4	-115.6	0	0	114.3	N97 D106 G107 M472 P474 T475	N97-E111 PolarHBondContact ND2-OE1 2.85Å; D106-E111 PolarHBondContact O-N 3.04Å; G107-E111 WeakPolarHBondContact CA-OE1 3.45Å; G107-E111 PolarHBondContact N-OE1 2.92Å; E111-M472 HydrophobicContact CG-CB 4.4Å; E111-M472 HydrophobicContact CG-CG 4.45Å; E111-P474 HydrophobicContact CB-CB 4Å; E111-P474 HydrophobicContact CB-CG 4.16Å; E111-P474 WeakPolarHBondContact OE2-CD 3.41Å; E111-T475 WeakPolarHBondContact CA-OG1 3.47Å
112	H	98.9	Very high	98.7	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	13%	0.131	C	C	.	.	I	π-helix	trans	-140.4	12	-165.8	67	76	0	0	0	115.6	W95 G107 S130 W131 Y139 P474	W95-H112 AromaticContact CD2-CE1 3.69Å; W95-H112 AromaticContact CD2-NE2 3.12Å; W95-H112 AromaticContact CE2-NE2 3.23Å; W95-H112 AromaticContact CE3-CE1 3.89Å; W95-H112 AromaticContact CE3-NE2 3.31Å; W95-H112 VanDerWaalsContact CE3-NE2 3.31Å; W95-H112 AromaticContact CG-CE1 3.88Å; W95-H112 AromaticContact CG-NE2 3.72Å; W95-H112 AromaticContact CH2-NE2 3.66Å; W95-H112 AromaticContact CZ2-NE2 3.5Å; W95-H112 AromaticContact CZ3-NE2 3.58Å; W95-H112 AromaticContact NE1-NE2 3.86Å; G107-H112 PolarHBondContact O-N 3.24Å; H112-S130 VanDerWaalsContact O-CA 3.27Å; H112-S130 WeakPolarHBondContact O-CA 3.45Å; H112-S130 WeakPolarHBondContact O-CB 3.29Å; H112-S130 PolarHBondContact O-OG 3.02Å; H112-W131 HydrophobicContact CB-CD2 4.24Å; H112-W131 HydrophobicContact CB-CG 3.93Å; H112-W131 AromaticContact CE1-CD2 3.93Å; H112-W131 AromaticContact CE1-CE3 3.62Å; H112-W131 AromaticContact CG-CD2 3.75Å; H112-W131 AromaticContact CG-CG 3.81Å; H112-W131 AromaticContact ND1-CD2 3.59Å; H112-W131 AromaticContact ND1-CE3 3.77Å; H112-W131 AromaticContact ND1-CG 3.56Å; H112-W131 AromaticContact NE2-CE3 3.95Å; H112-W131 PolarHBondContact O-N 3.5Å; H112-W131 VanDerWaalsContact O-N 3.09Å; H112-Y139 AromaticContact CE1-CE1 3.55Å; H112-Y139 AromaticContact CE1-CZ 3.68Å; H112-Y139 PolarHBondContact CE1-OH 2.83Å; H112-Y139 AromaticContact ND1-CZ 3.86Å; H112-Y139 PolarHBondContact ND1-OH 2.92Å; H112-Y139 PolarHBondContact O-OH 2.92Å; H112-P474 HydrophobicContact CB-CB 3.88Å; H112-P474 HydrophobicContact CB-CG 4.47Å
113	G	98.9	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-67.2	167.9	170.2	0	0	0	0	0	113.1	G107 L108 F115 N127 S130 Y139	G107-G113 PolarHBondContact O-N 3.25Å; L108-G113 WeakPolarHBondContact O-CA 3.49Å; L108-G113 PolarHBondContact O-N 3.38Å; G113-F115 PolarHBondContact O-N 3.01Å; G113-N127 WeakPolarHBondContact O-CB 3.27Å; G113-N127 PolarHBondContact O-ND2 2.83Å; G113-S130 WeakPolarHBondContact O-CB 3.28Å; G113-S130 PolarHBondContact O-OG 3.32Å; G113-Y139 WeakPolarHBondContact CA-OH 3.47Å; G113-Y139 PolarHBondContact N-OH 2.93Å
114	P	98.9	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-62	-22.5	-174.9	18.2	-30.2	0	0	0	114.2	F61 V81 Y126 N127 S130 N132	F61-P114 HydrophobicContact CE1-CB 4.17Å; F61-P114 HydrophobicContact CE2-CB 4.13Å; F61-P114 HydrophobicContact CE2-CG 4.09Å; F61-P114 HydrophobicContact CZ-CB 3.41Å; F61-P114 VanDerWaalsContact CZ-CB 3.41Å; F61-P114 HydrophobicContact CZ-CG 3.83Å; V81-P114 HydrophobicContact CB-CG 4.3Å; V81-P114 HydrophobicContact CG1-CG 3.95Å; V81-P114 HydrophobicContact CG2-CG 4.36Å; P114-Y126 WeakPolarHBondContact O-CA 3.38Å; P114-N127 PolarHBondContact O-N 2.9Å; P114-S130 WeakPolarHBondContact CA-OG 3.38Å; P114-S130 VanDerWaalsContact N-OG 3.12Å; P114-N132 WeakPolarHBondContact CB-OD1 3.2Å
115	F	98.6	Very high	98.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143.2	178.9	37.2	-105.2	0	0	0	109.7	L52 L55 F61 W79 L108 L109 G113 L124 E125	L52-F115 HydrophobicContact CD2-CD2 4.24Å; L52-F115 HydrophobicContact CD2-CE1 3.96Å; L52-F115 HydrophobicContact CD2-CE2 3.52Å; L52-F115 HydrophobicContact CD2-CZ 3.38Å; L55-F115 HydrophobicContact CD1-CD1 4.04Å; L55-F115 HydrophobicContact CD1-CE1 4.16Å; L55-F115 HydrophobicContact CD2-CB 4Å; L55-F115 HydrophobicContact CD2-CD1 4Å; L55-F115 HydrophobicContact CD2-CG 4.08Å; F61-F115 HydrophobicContact CZ-CE1 4.49Å; W79-F115 AromaticContact CH2-CE2 3.92Å; W79-F115 HydrophobicContact CH2-CE2 3.92Å; W79-F115 HydrophobicContact CH2-CZ 4.32Å; W79-F115 AromaticContact CZ2-CE2 3.64Å; W79-F115 HydrophobicContact CZ2-CE2 3.64Å; W79-F115 AromaticContact CZ2-CZ 3.59Å; W79-F115 HydrophobicContact CZ2-CZ 3.59Å; L108-F115 HydrophobicContact CD2-CD2 4.14Å; L108-F115 HydrophobicContact CD2-CE2 3.63Å; L108-F115 HydrophobicContact CD2-CZ 4.39Å; L109-F115 HydrophobicContact CD2-CD2 4.25Å; L109-F115 HydrophobicContact CD2-CE2 4.33Å; G113-F115 PolarHBondContact O-N 3.01Å; F115-L124 HydrophobicContact CB-CB 4.23Å; F115-L124 HydrophobicContact CD2-CD1 3.63Å; F115-L124 HydrophobicContact CD2-CD2 4.38Å; F115-L124 HydrophobicContact CD2-CG 4.44Å; F115-L124 HydrophobicContact CE2-CD1 4.02Å; F115-L124 HydrophobicContact CG-CD1 4.17Å; F115-E125 CarbonylContact C-O 3.56Å; F115-E125 WeakPolarHBondContact CA-O 3.3Å; F115-E125 WeakPolarHBondContact CB-O 3.22Å
116	L	98.8	Very high	98.7	Very high	41 Å²	41	33.8 Å²	33.8	22%	0.215	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.5	-177.3	-55.3	-179.9	0	0	0	110.8	L109 Q118 E125 N127	L109-L116 CarbonylContact O-C 3.55Å; L109-L116 WeakPolarHBondContact O-CA 3.38Å; L116-Q118 PolarHBondContact O-NE2 3.09Å; L116-E125 PolarHBondContact N-O 3.43Å; L116-E125 PolarHBondContact O-N 2.82Å; L116-E125 VanDerWaalsContact O-N 3.12Å; L116-N127 HydrophobicContact CD1-CB 4.44Å; L116-N127 HydrophobicContact CG-CB 4.12Å
117	V	98.8	Very high	98.7	Very high	18 Å²	18	33.5 Å²	33.5	11%	0.109	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.4	179.5	69.9	0	0	0	0	111	L109 T110 L124 A350 A351 Y354	L109-V117 HydrophobicContact CB-CB 4.3Å; L109-V117 HydrophobicContact CB-CG1 4.07Å; L109-V117 PolarHBondContact O-N 3.14Å; T110-V117 HydrophobicContact CG2-CG1 4.47Å; V117-L124 HydrophobicContact CB-CD2 4.05Å; V117-L124 HydrophobicContact CG2-CD2 4.34Å; V117-A350 HydrophobicContact CG1-CB 4.14Å; V117-A350 HydrophobicContact CG2-CB 4.37Å; V117-A351 HydrophobicContact CG1-CB 4.22Å; V117-Y354 HydrophobicContact CG2-CD2 4.44Å; V117-Y354 HydrophobicContact CG2-CG 4.07Å
118	Q	98.6	Very high	98.7	Very high	62 Å²	62	37.9 Å²	37.9	29%	0.29	21%	0.209	S	C	.	.			trans	-84.5	162.6	-179.5	-61.2	-50.6	-64.8	0	0	111.8	L116 D120 G121 T123 E125	L116-Q118 PolarHBondContact O-NE2 3.09Å; Q118-D120 PolarHBondContact O-N 3.47Å; Q118-G121 PolarHBondContact O-N 2.99Å; Q118-T123 WeakPolarHBondContact CB-O 3.38Å; Q118-T123 HydrophobicContact CG-CG2 4.08Å; Q118-T123 WeakPolarHBondContact CG-O 3.33Å; Q118-T123 PolarHBondContact N-O 2.9Å; Q118-E125 HydrophobicContact CG-CB 4.35Å; Q118-E125 HydrophobicContact CG-CG 3.78Å
119	P	97.9	Very high	98.6	Very high	122 Å²	122	41.8 Å²	41.8	79%	0.792	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.9	-176.2	-26.9	36.4	0	0	0	116	G121	P119-G121 VanDerWaalsContact C-N 3.28Å
120	D	98.1	Very high	98.6	Very high	84 Å²	84	41.8 Å²	41.8	45%	0.449	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.2	172.8	66.9	-2	0	0	0	113.4	Q118 V122 T123	Q118-D120 PolarHBondContact O-N 3.47Å; D120-V122 PolarHBondContact O-N 3.29Å; D120-V122 PolarHBondContact OD1-N 3.34Å; D120-T123 PolarHBondContact OD1-N 2.81Å; D120-T123 WeakPolarHBondContact OD2-CB 3.5Å; D120-T123 PolarHBondContact OD2-N 2.85Å; D120-T123 PolarHBondContact OD2-OG1 2.84Å
121	G	98.2	Very high	98.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	21%	0.214	C	C	.	.	S	Bend	trans	67.8	19.8	-174.7	0	0	0	0	0	113.9	Q118 P119 A350 Y354	Q118-G121 PolarHBondContact O-N 2.99Å; P119-G121 VanDerWaalsContact C-N 3.28Å; G121-A350 WeakPolarHBondContact CA-O 3.29Å; G121-Y354 WeakPolarHBondContact O-CA 3.49Å; G121-Y354 WeakPolarHBondContact O-CB 3.5Å; G121-Y354 PolarHBondContact O-N 3.11Å
122	V	98.4	Very high	98.7	Very high	78 Å²	78	40 Å²	40	47%	0.473	21%	0.214	S	C	.	.	S	Bend	trans	-132.7	-43	-175	177.9	0	0	0	0	111.6	G54 D120	G54-V122 WeakPolarHBondContact CA-O 3.49Å; D120-V122 PolarHBondContact O-N 3.29Å; D120-V122 PolarHBondContact OD1-N 3.34Å
123	T	98.7	Very high	98.7	Very high	48 Å²	48	42.2 Å²	42.2	29%	0.294	23%	0.225	S	C	.	.			trans	-86.2	140.6	-175.3	-56.6	0	0	0	0	111	Q118 D120	Q118-T123 WeakPolarHBondContact CB-O 3.38Å; Q118-T123 HydrophobicContact CG-CG2 4.08Å; Q118-T123 WeakPolarHBondContact CG-O 3.33Å; Q118-T123 PolarHBondContact N-O 2.9Å; D120-T123 PolarHBondContact OD1-N 2.81Å; D120-T123 WeakPolarHBondContact OD2-CB 3.5Å; D120-T123 PolarHBondContact OD2-N 2.85Å; D120-T123 PolarHBondContact OD2-OG1 2.84Å
124	L	98.8	Very high	98.7	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.9	172	-69.2	-173	0	0	0	109.7	L52 G54 L55 L109 F115 V117 Y354	L52-L124 HydrophobicContact CD2-CD1 3.45Å; L52-L124 VanDerWaalsContact CD2-CD1 3.45Å; L52-L124 HydrophobicContact CG-CD1 4.05Å; G54-L124 PolarHBondContact O-N 3.48Å; L55-L124 HydrophobicContact CD2-CB 3.67Å; L55-L124 HydrophobicContact CD2-CD1 4.34Å; L55-L124 HydrophobicContact CG-CB 4.08Å; L55-L124 HydrophobicContact CG-CD1 4.07Å; L109-L124 HydrophobicContact CD2-CD2 4.05Å; F115-L124 HydrophobicContact CB-CB 4.23Å; F115-L124 HydrophobicContact CD2-CD1 3.63Å; F115-L124 HydrophobicContact CD2-CD2 4.38Å; F115-L124 HydrophobicContact CD2-CG 4.44Å; F115-L124 HydrophobicContact CE2-CD1 4.02Å; F115-L124 HydrophobicContact CG-CD1 4.17Å; V117-L124 HydrophobicContact CB-CD2 4.05Å; V117-L124 HydrophobicContact CG2-CD2 4.34Å; L124-Y354 HydrophobicContact CD1-CE1 4.2Å; L124-Y354 HydrophobicContact CD1-CE2 3.99Å; L124-Y354 WeakPolarHBondContact CD1-OH 3.25Å; L124-Y354 HydrophobicContact CD2-CD2 4.31Å; L124-Y354 HydrophobicContact CD2-CE1 4.27Å; L124-Y354 HydrophobicContact CD2-CE2 4.01Å; L124-Y354 HydrophobicContact CG-CD2 4.5Å; L124-Y354 HydrophobicContact CG-CE2 3.79Å
125	E	98.7	Very high	98.7	Very high	108 Å²	108	44.4 Å²	44.4	51%	0.505	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140	176.3	-74	-66.3	170	0	0	111.1	F115 L116 Q118	F115-E125 CarbonylContact C-O 3.56Å; F115-E125 WeakPolarHBondContact CA-O 3.3Å; F115-E125 WeakPolarHBondContact CB-O 3.22Å; L116-E125 PolarHBondContact N-O 3.43Å; L116-E125 PolarHBondContact O-N 2.82Å; L116-E125 VanDerWaalsContact O-N 3.12Å; Q118-E125 HydrophobicContact CG-CB 4.35Å; Q118-E125 HydrophobicContact CG-CG 3.78Å
126	Y	98.8	Very high	98.7	Very high	86 Å²	86	44.4 Å²	44.4	34%	0.337	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.3	-179.1	-81.9	-93.8	0	0	0	111.9	L55 K57 Q58 P59 F61 P114 P128	L55-Y126 HydrophobicContact CD2-CD2 4.39Å; L55-Y126 HydrophobicContact CD2-CE2 3.89Å; K57-Y126 PolarHBondContact O-OH 3.35Å; Q58-Y126 PolarHBondContact O-OH 2.79Å; P59-Y126 VanDerWaalsContact CA-OH 3.3Å; P59-Y126 WeakPolarHBondContact CA-OH 3.29Å; F61-Y126 HydrophobicContact CE1-CE1 4.49Å; P114-Y126 WeakPolarHBondContact O-CA 3.38Å; Y126-P128 WeakPolarHBondContact O-CD 3.5Å
127	N	98.8	Very high	98.7	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.059	23%	0.226	C	C	.	.			trans	-89.5	111.2	178.8	-173.4	-6.8	0	0	0	111	G113 P114 L116 Y129 S130	G113-N127 WeakPolarHBondContact O-CB 3.27Å; G113-N127 PolarHBondContact O-ND2 2.83Å; P114-N127 PolarHBondContact O-N 2.9Å; L116-N127 HydrophobicContact CD1-CB 4.44Å; L116-N127 HydrophobicContact CG-CB 4.12Å; N127-Y129 PolarHBondContact O-N 3.19Å; N127-Y129 VanDerWaalsContact O-N 3.1Å; N127-Y129 PolarHBondContact OD1-N 3.42Å; N127-S130 PolarHBondContact O-N 3.41Å
128	P	98.6	Very high	98.7	Very high	92 Å²	92	41.6 Å²	41.6	60%	0.597	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-3.3	178.8	30.7	-35.6	0	0	0	113.8	Y126 L133	Y126-P128 WeakPolarHBondContact O-CD 3.5Å; P128-L133 WeakPolarHBondContact O-CD1 3.49Å
129	Y	98.8	Very high	98.7	Very high	83 Å²	83	38.7 Å²	38.7	33%	0.325	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	17.3	179.9	-51	-61.5	0	0	0	112.5	N127 W131 P478 L479 F482	N127-Y129 PolarHBondContact O-N 3.19Å; N127-Y129 VanDerWaalsContact O-N 3.1Å; N127-Y129 PolarHBondContact OD1-N 3.42Å; Y129-W131 PolarHBondContact O-N 3.28Å; Y129-P478 HydrophobicContact CD2-CB 3.56Å; Y129-P478 HydrophobicContact CD2-CG 3.8Å; Y129-P478 HydrophobicContact CE2-CB 4.42Å; Y129-P478 HydrophobicContact CE2-CG 4.2Å; Y129-P478 HydrophobicContact CG-CB 3.96Å; Y129-L479 HydrophobicContact CD1-CB 4Å; Y129-L479 HydrophobicContact CD1-CD1 4.03Å; Y129-L479 HydrophobicContact CE1-CB 3.76Å; Y129-L479 HydrophobicContact CE1-CD1 3.76Å; Y129-L479 HydrophobicContact CE1-CG 4.22Å; Y129-F482 WeakPolarHBondContact O-CD2 3.26Å
130	S	98.9	Very high	98.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.			trans	-59.7	140.2	-179.9	-176.3	0	0	0	0	112.2	H112 G113 P114 N127 N132 L133 F482	H112-S130 VanDerWaalsContact O-CA 3.27Å; H112-S130 WeakPolarHBondContact O-CA 3.45Å; H112-S130 WeakPolarHBondContact O-CB 3.29Å; H112-S130 PolarHBondContact O-OG 3.02Å; G113-S130 WeakPolarHBondContact O-CB 3.28Å; G113-S130 PolarHBondContact O-OG 3.32Å; P114-S130 WeakPolarHBondContact CA-OG 3.38Å; P114-S130 VanDerWaalsContact N-OG 3.12Å; N127-S130 PolarHBondContact O-N 3.41Å; S130-N132 PolarHBondContact O-N 2.98Å; S130-N132 PolarHBondContact OG-N 3.5Å; S130-N132 PolarHBondContact OG-OD1 2.82Å; S130-N132 VanDerWaalsContact OG-OD1 3.1Å; S130-L133 WeakPolarHBondContact O-CB 3.39Å; S130-L133 WeakPolarHBondContact O-CD1 3.46Å; S130-L133 VanDerWaalsContact O-CG 3.26Å; S130-L133 WeakPolarHBondContact O-CG 3.46Å; S130-L133 PolarHBondContact O-N 2.9Å; S130-L133 VanDerWaalsContact O-N 3.15Å; S130-F482 WeakPolarHBondContact O-CE2 3.18Å
131	W	98.9	Very high	98.8	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-65.4	-24.2	174.9	-72.3	16.5	0	0	0	112.2	W95 H112 Y129 L133 I134 V137 P474 M484 F485	W95-W131 HydrophobicContact CE3-CE3 4.44Å; W95-W131 HydrophobicContact CE3-CH2 4.29Å; W95-W131 AromaticContact CE3-CZ3 3.71Å; W95-W131 HydrophobicContact CE3-CZ3 3.71Å; W95-W131 HydrophobicContact CH2-CH2 4.46Å; W95-W131 AromaticContact CZ3-CH2 3.67Å; W95-W131 HydrophobicContact CZ3-CH2 3.67Å; W95-W131 AromaticContact CZ3-CZ3 3.58Å; W95-W131 HydrophobicContact CZ3-CZ3 3.58Å; H112-W131 HydrophobicContact CB-CD2 4.24Å; H112-W131 HydrophobicContact CB-CG 3.93Å; H112-W131 AromaticContact CE1-CD2 3.93Å; H112-W131 AromaticContact CE1-CE3 3.62Å; H112-W131 AromaticContact CG-CD2 3.75Å; H112-W131 AromaticContact CG-CG 3.81Å; H112-W131 AromaticContact ND1-CD2 3.59Å; H112-W131 AromaticContact ND1-CE3 3.77Å; H112-W131 AromaticContact ND1-CG 3.56Å; H112-W131 AromaticContact NE2-CE3 3.95Å; H112-W131 PolarHBondContact O-N 3.5Å; H112-W131 VanDerWaalsContact O-N 3.09Å; Y129-W131 PolarHBondContact O-N 3.28Å; W131-L133 PolarHBondContact O-N 2.87Å; W131-L133 VanDerWaalsContact O-N 3.16Å; W131-I134 PolarHBondContact O-N 2.83Å; W131-V137 HydrophobicContact CB-CG2 4.26Å; W131-P474 HydrophobicContact CZ2-CG 4.44Å; W131-M484 HydrophobicContact CZ2-CE 4.47Å; W131-F485 HydrophobicContact CB-CD1 3.93Å; W131-F485 HydrophobicContact CB-CE1 3.48Å; W131-F485 VanDerWaalsContact CB-CE1 3.48Å; W131-F485 HydrophobicContact CB-CE2 4.47Å; W131-F485 HydrophobicContact CB-CZ 3.75Å; W131-F485 AromaticContact CD1-CD1 3.9Å; W131-F485 HydrophobicContact CD2-CB 4.18Å; W131-F485 AromaticContact CD2-CD1 3.86Å; W131-F485 HydrophobicContact CD2-CD1 3.86Å; W131-F485 AromaticContact CD2-CD2 3.59Å; W131-F485 HydrophobicContact CD2-CD2 3.59Å; W131-F485 HydrophobicContact CD2-CE1 4.04Å; W131-F485 AromaticContact CD2-CE2 3.78Å; W131-F485 HydrophobicContact CD2-CE2 3.78Å; W131-F485 AromaticContact CD2-CG 3.61Å; W131-F485 HydrophobicContact CD2-CG 3.61Å; W131-F485 AromaticContact CD2-CZ 3.97Å; W131-F485 HydrophobicContact CD2-CZ 3.97Å; W131-F485 AromaticContact CE2-CD2 3.94Å; W131-F485 AromaticContact CE2-CG 3.74Å; W131-F485 HydrophobicContact CE3-CD1 4.42Å; W131-F485 AromaticContact CE3-CD2 3.43Å; W131-F485 HydrophobicContact CE3-CD2 3.43Å; W131-F485 VanDerWaalsContact CE3-CD2 3.43Å; W131-F485 HydrophobicContact CE3-CE1 4.35Å; W131-F485 AromaticContact CE3-CE2 3.33Å; W131-F485 HydrophobicContact CE3-CE2 3.33Å; W131-F485 AromaticContact CE3-CG 3.98Å; W131-F485 HydrophobicContact CE3-CG 3.98Å; W131-F485 AromaticContact CE3-CZ 3.8Å; W131-F485 HydrophobicContact CE3-CZ 3.8Å; W131-F485 AromaticContact CG-CD1 3.62Å; W131-F485 HydrophobicContact CG-CD1 3.62Å; W131-F485 HydrophobicContact CG-CD2 4.24Å; W131-F485 AromaticContact CG-CE1 3.69Å; W131-F485 HydrophobicContact CG-CE1 3.69Å; W131-F485 HydrophobicContact CG-CE2 4.3Å; W131-F485 AromaticContact CG-CG 3.89Å; W131-F485 HydrophobicContact CG-CG 3.89Å; W131-F485 AromaticContact CG-CZ 4Å; W131-F485 HydrophobicContact CG-CZ 4Å; W131-F485 AromaticContact CH2-CD2 3.99Å; W131-F485 HydrophobicContact CH2-CD2 3.99Å; W131-F485 HydrophobicContact CZ2-CB 4.01Å; W131-F485 HydrophobicContact CZ2-CD2 4.14Å; W131-F485 HydrophobicContact CZ2-CG 4.21Å; W131-F485 AromaticContact CZ3-CD2 3.65Å; W131-F485 HydrophobicContact CZ3-CD2 3.65Å; W131-F485 AromaticContact CZ3-CE2 3.8Å; W131-F485 HydrophobicContact CZ3-CE2 3.8Å; W131-F485 HydrophobicContact CZ3-CG 4.42Å; W131-F485 WeakPolarHBondContact O-CE1 3.41Å
132	N	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-72.3	-2.4	175.5	98.6	-47.3	0	0	0	114	F61 V81 E82 S83 Q84 P114 S130 I134 A135 V137	F61-N132 WeakPolarHBondContact CD2-ND2 3.4Å; F61-N132 WeakPolarHBondContact CE2-ND2 3.43Å; V81-N132 HydrophobicContact CB-CB 4.48Å; V81-N132 HydrophobicContact CG2-CB 3.74Å; E82-N132 PolarHBondContact O-ND2 2.92Å; S83-N132 CarbonylContact C-O 3.55Å; S83-N132 VanDerWaalsContact CA-O 3.26Å; S83-N132 WeakPolarHBondContact CA-O 3.38Å; Q84-N132 WeakPolarHBondContact CG-ND2 3.35Å; Q84-N132 WeakPolarHBondContact CG-O 3.2Å; Q84-N132 PolarHBondContact N-O 3.31Å; Q84-N132 PolarHBondContact NE2-OD1 3.33Å; P114-N132 WeakPolarHBondContact CB-OD1 3.2Å; S130-N132 PolarHBondContact O-N 2.98Å; S130-N132 PolarHBondContact OG-N 3.5Å; S130-N132 PolarHBondContact OG-OD1 2.82Å; S130-N132 VanDerWaalsContact OG-OD1 3.1Å; N132-I134 PolarHBondContact O-N 2.85Å; N132-A135 VanDerWaalsContact CA-O 3.26Å; N132-A135 WeakPolarHBondContact CA-O 3.31Å; N132-V137 HydrophobicContact CB-CG2 3.97Å
133	L	98.9	Very high	98.9	Very high	47 Å²	47	25.5 Å²	25.5	25%	0.246	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.4	-21.6	171	-70.8	167.2	0	0	0	113.2	Q84 P128 S130 W131 F482	Q84-L133 HydrophobicContact CB-CD2 4.43Å; Q84-L133 HydrophobicContact CG-CD2 4.29Å; P128-L133 WeakPolarHBondContact O-CD1 3.49Å; S130-L133 WeakPolarHBondContact O-CB 3.39Å; S130-L133 WeakPolarHBondContact O-CD1 3.46Å; S130-L133 VanDerWaalsContact O-CG 3.26Å; S130-L133 WeakPolarHBondContact O-CG 3.46Å; S130-L133 PolarHBondContact O-N 2.9Å; S130-L133 VanDerWaalsContact O-N 3.15Å; W131-L133 PolarHBondContact O-N 2.87Å; W131-L133 VanDerWaalsContact O-N 3.16Å; L133-F482 HydrophobicContact CB-CE2 3.91Å; L133-F482 HydrophobicContact CB-CZ 4.1Å; L133-F482 HydrophobicContact CD1-CE2 3.98Å; L133-F482 HydrophobicContact CD1-CZ 4.12Å
134	I	98.9	Very high	98.9	Very high	46 Å²	46	23.4 Å²	23.4	24%	0.236	12%	0.116	C	C	.	.	S	Bend	trans	-141.2	9.9	-174.2	61.9	172.8	0	0	0	114.2	W131 N132 F482 F485 L489	W131-I134 PolarHBondContact O-N 2.83Å; N132-I134 PolarHBondContact O-N 2.85Å; I134-F482 HydrophobicContact CD1-CE2 4.17Å; I134-F482 HydrophobicContact CD1-CZ 4.24Å; I134-F482 HydrophobicContact CG1-CE2 4.18Å; I134-F482 HydrophobicContact CG1-CZ 4.45Å; I134-F482 HydrophobicContact CG2-CZ 4.22Å; I134-F485 HydrophobicContact CD1-CD1 3.99Å; I134-F485 HydrophobicContact CD1-CE1 4.03Å; I134-F485 HydrophobicContact CG1-CD1 4.29Å; I134-F485 HydrophobicContact CG1-CE1 3.88Å; I134-L489 HydrophobicContact CD1-CD1 4.19Å; I134-L489 HydrophobicContact CG1-CD1 4.28Å
135	A	98.9	Very high	98.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-153.4	150.4	-174.3	0	0	0	0	0	111.2	S83 V93 N132 V137 F485 L489	S83-A135 VanDerWaalsContact CA-O 3.27Å; S83-A135 WeakPolarHBondContact CA-O 3.21Å; S83-A135 PolarHBondContact N-O 3Å; S83-A135 PolarHBondContact OG-N 3.02Å; V93-A135 HydrophobicContact CB-CB 4.45Å; V93-A135 HydrophobicContact CG2-CB 3.73Å; N132-A135 VanDerWaalsContact CA-O 3.26Å; N132-A135 WeakPolarHBondContact CA-O 3.31Å; A135-V137 HydrophobicContact CB-CG2 4.11Å; A135-F485 HydrophobicContact CB-CE1 4.27Å; A135-F485 HydrophobicContact CB-CZ 3.96Å; A135-L489 HydrophobicContact CB-CD1 4.03Å
136	N	98.9	Very high	98.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	110.1	165.7	-53.8	-66.6	0	0	0	107.7	F80 V81 E82 S83 P87 S90 P91 V92 V93	F80-N136 HydrophobicContact CE2-CB 3.63Å; F80-N136 HydrophobicContact CZ-CB 3.57Å; V81-N136 CarbonylContact O-C 3.52Å; V81-N136 WeakPolarHBondContact O-CA 3.43Å; E82-N136 WeakPolarHBondContact CA-OD1 3.43Å; S83-N136 PolarHBondContact N-OD1 3.18Å; P87-N136 WeakPolarHBondContact CA-OD1 3.35Å; P87-N136 VanDerWaalsContact CB-OD1 3.23Å; P87-N136 WeakPolarHBondContact CB-OD1 3.29Å; P87-N136 PolarHBondContact O-ND2 3.21Å; S90-N136 PolarHBondContact O-ND2 3.33Å; P91-N136 PolarHBondContact O-N 2.83Å; V92-N136 CarbonylContact C-O 3.56Å; V92-N136 WeakPolarHBondContact CA-O 3.38Å; V93-N136 PolarHBondContact N-O 3.1Å
137	V	99	Very high	98.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.2	-170.6	-169.4	0	0	0	0	110.6	F80 V81 V93 W95 W131 N132 A135 Y139	F80-V137 WeakPolarHBondContact CA-O 3.41Å; F80-V137 WeakPolarHBondContact CD2-O 3.12Å; V81-V137 HydrophobicContact CG2-CB 3.91Å; V81-V137 WeakPolarHBondContact CG2-O 3.46Å; V81-V137 PolarHBondContact N-O 3.28Å; V81-V137 PolarHBondContact O-N 2.85Å; V93-V137 CarbonylContact O-C 3.56Å; V93-V137 WeakPolarHBondContact O-CA 3.39Å; W95-V137 HydrophobicContact CB-CG1 4.35Å; W131-V137 HydrophobicContact CB-CG2 4.26Å; N132-V137 HydrophobicContact CB-CG2 3.97Å; A135-V137 HydrophobicContact CB-CG2 4.11Å; V137-Y139 HydrophobicContact CB-CD2 4.49Å; V137-Y139 HydrophobicContact CB-CE2 3.91Å; V137-Y139 HydrophobicContact CG1-CD2 3.98Å; V137-Y139 HydrophobicContact CG1-CE1 4.33Å; V137-Y139 HydrophobicContact CG1-CE2 3.46Å; V137-Y139 VanDerWaalsContact CG1-CE2 3.46Å
138	L	98.9	Very high	98.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.8	177.6	177.2	63.7	0	0	0	109.3	L68 Y78 F80 V93 L94 W95 L171 F174	L68-L138 HydrophobicContact CD1-CD2 4.44Å; Y78-L138 HydrophobicContact CD2-CD1 3.66Å; Y78-L138 HydrophobicContact CG-CD1 4.07Å; F80-L138 HydrophobicContact CB-CD1 3.98Å; F80-L138 HydrophobicContact CD2-CB 3.94Å; F80-L138 HydrophobicContact CD2-CD1 4.22Å; F80-L138 HydrophobicContact CG-CD1 4.49Å; V93-L138 PolarHBondContact O-N 3.19Å; L94-L138 HydrophobicContact CD1-CB 4.49Å; L94-L138 HydrophobicContact CD1-CD2 3.97Å; L94-L138 HydrophobicContact CD1-CG 4.07Å; W95-L138 PolarHBondContact N-O 2.85Å; L138-L171 HydrophobicContact CD2-CD1 4.23Å; L138-F174 HydrophobicContact CD1-CD2 3.95Å; L138-F174 HydrophobicContact CD1-CE2 4.02Å; L138-F174 HydrophobicContact CD2-CB 4.32Å; L138-F174 HydrophobicContact CD2-CD1 4.16Å; L138-F174 HydrophobicContact CD2-CD2 3.79Å; L138-F174 HydrophobicContact CD2-CE1 4.49Å; L138-F174 HydrophobicContact CD2-CE2 4.15Å; L138-F174 HydrophobicContact CD2-CG 3.8Å; L138-F174 HydrophobicContact CD2-CZ 4.49Å; L138-F174 HydrophobicContact CG-CD2 4.49Å
139	Y	99	Very high	98.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117	171.3	-63.2	-91.5	0	0	0	108.7	Y78 W79 V81 W95 S104 G107 L108 H112 G113 V137	Y78-Y139 CarbonylContact C-O 3.58Å; Y78-Y139 VanDerWaalsContact CA-O 3.31Å; Y78-Y139 WeakPolarHBondContact CA-O 3.46Å; W79-Y139 PolarHBondContact N-O 3.25Å; W79-Y139 WeakPolarHBondContact O-CB 3.27Å; W79-Y139 PolarHBondContact O-N 3.39Å; V81-Y139 HydrophobicContact CG2-CD2 4.43Å; V81-Y139 HydrophobicContact CG2-CE2 3.93Å; W95-Y139 HydrophobicContact CB-CD1 3.96Å; W95-Y139 HydrophobicContact CB-CE1 4.09Å; W95-Y139 AromaticContact CD1-CD1 3.53Å; W95-Y139 AromaticContact CD1-CE1 3.72Å; W95-Y139 AromaticContact CG-CD1 3.97Å; W95-Y139 HydrophobicContact CG-CD1 3.97Å; W95-Y139 AromaticContact CG-CE1 3.95Å; W95-Y139 HydrophobicContact CG-CE1 3.95Å; S104-Y139 VanDerWaalsContact O-CD1 3.25Å; S104-Y139 WeakPolarHBondContact O-CD1 3.48Å; G107-Y139 VanDerWaalsContact C-CE1 3.4Å; L108-Y139 HydrophobicContact CB-CD1 3.83Å; L108-Y139 HydrophobicContact CB-CD2 4.15Å; L108-Y139 HydrophobicContact CB-CE1 3.86Å; L108-Y139 HydrophobicContact CB-CE2 4.16Å; L108-Y139 HydrophobicContact CB-CG 3.97Å; L108-Y139 HydrophobicContact CD1-CD2 3.61Å; L108-Y139 HydrophobicContact CD1-CE2 4Å; L108-Y139 HydrophobicContact CD1-CG 3.97Å; L108-Y139 HydrophobicContact CG-CD2 3.95Å; L108-Y139 HydrophobicContact CG-CE1 4.46Å; L108-Y139 HydrophobicContact CG-CE2 3.86Å; L108-Y139 HydrophobicContact CG-CG 4.26Å; H112-Y139 AromaticContact CE1-CE1 3.55Å; H112-Y139 AromaticContact CE1-CZ 3.68Å; H112-Y139 PolarHBondContact CE1-OH 2.83Å; H112-Y139 AromaticContact ND1-CZ 3.86Å; H112-Y139 PolarHBondContact ND1-OH 2.92Å; H112-Y139 PolarHBondContact O-OH 2.92Å; G113-Y139 WeakPolarHBondContact CA-OH 3.47Å; G113-Y139 PolarHBondContact N-OH 2.93Å; V137-Y139 HydrophobicContact CB-CD2 4.49Å; V137-Y139 HydrophobicContact CB-CE2 3.91Å; V137-Y139 HydrophobicContact CG1-CD2 3.98Å; V137-Y139 HydrophobicContact CG1-CE1 4.33Å; V137-Y139 HydrophobicContact CG1-CE2 3.46Å; V137-Y139 VanDerWaalsContact CG1-CE2 3.46Å
140	L	98.9	Very high	98.9	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.01	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.9	-175.7	-178.3	62.1	0	0	0	110.8	L68 L76 L94 W95 L96 S104 S142 A170	L68-L140 HydrophobicContact CD1-CD1 3.86Å; L76-L140 HydrophobicContact CB-CD1 3.68Å; L76-L140 HydrophobicContact CB-CG 4.47Å; L76-L140 HydrophobicContact CD1-CD1 4.45Å; L76-L140 HydrophobicContact CD1-CD2 4.29Å; L76-L140 HydrophobicContact CD1-CG 4.49Å; L94-L140 HydrophobicContact CD1-CB 3.78Å; L94-L140 HydrophobicContact CD1-CD2 4.14Å; W95-L140 PolarHBondContact O-N 3.01Å; L96-L140 HydrophobicContact CD2-CB 3.89Å; L96-L140 HydrophobicContact CD2-CD2 4.41Å; L96-L140 HydrophobicContact CD2-CG 4.39Å; L96-L140 WeakPolarHBondContact CD2-O 3.32Å; S104-L140 WeakPolarHBondContact CB-O 3.35Å; S104-L140 PolarHBondContact OG-O 2.86Å; L140-S142 PolarHBondContact O-N 3.14Å; L140-A170 HydrophobicContact CD2-CB 4.34Å
141	E	98.9	Very high	98.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.			trans	-73.7	111.6	175.3	-63.7	-166.6	117.7	0	0	109.7	H77 S103 L105 G147 F148 S149 W373	H77-E141 HydrophobicContact CB-CB 4.42Å; H77-E141 WeakPolarHBondContact CE1-CG 3.39Å; H77-E141 IonicContact CE1-OE1 3.92Å; H77-E141 IonicContact CE1-OE2 3.73Å; H77-E141 PolarHBondContact CE1-OE2 3.43Å; H77-E141 IonicContact CG-OE2 3.94Å; H77-E141 IonicContact ND1-OE2 2.78Å; H77-E141 PolarHBondContact ND1-OE2 3.19Å; H77-E141 PolarHBondContact O-N 3.15Å; S103-E141 VanDerWaalsContact CB-OE1 3.26Å; S103-E141 WeakPolarHBondContact CB-OE1 3.46Å; S103-E141 PolarHBondContact OG-OE1 3.1Å; L105-E141 HydrophobicContact CD1-CG 4.41Å; L105-E141 HydrophobicContact CG-CG 3.9Å; E141-G147 WeakPolarHBondContact OE1-CA 3.46Å; E141-F148 WeakPolarHBondContact OE2-CB 3.28Å; E141-F148 PolarHBondContact OE2-N 3.48Å; E141-S149 WeakPolarHBondContact CB-OG 3.37Å; E141-S149 WeakPolarHBondContact O-CB 3.4Å; E141-S149 PolarHBondContact O-OG 3.13Å; E141-W373 PolarHBondContact OE1-NE1 3.4Å
142	S	98.9	Very high	98.8	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.014	7%	0.074	C	C	.	.			trans	-143.4	143.7	-173.2	177	0	0	0	0	111.6	L140 N167	L140-S142 PolarHBondContact O-N 3.14Å; S142-N167 WeakPolarHBondContact CB-OD1 3.38Å; S142-N167 VanDerWaalsContact OG-CG 3.31Å; S142-N167 PolarHBondContact OG-ND2 2.62Å; S142-N167 PolarHBondContact OG-OD1 3.28Å
143	P	98.8	Very high	98.7	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.026	10%	0.097	C	C	.	.	S	Bend	cis	-79.5	-173.3	-1.4	33.2	-38.7	0	0	0	114.5	G145 V146 T158 V163 V380	P143-G145 PolarHBondContact O-N 2.59Å; P143-V146 HydrophobicContact CG-CG2 4.27Å; P143-V146 VanDerWaalsContact O-CB 3.26Å; P143-V146 WeakPolarHBondContact O-CB 3.38Å; P143-V146 VanDerWaalsContact O-CG2 3.26Å; P143-V146 WeakPolarHBondContact O-CG2 3.32Å; P143-V146 PolarHBondContact O-N 3.48Å; P143-V146 VanDerWaalsContact O-N 3.1Å; P143-T158 HydrophobicContact CB-CG2 4.07Å; P143-T158 HydrophobicContact CG-CG2 3.8Å; P143-V163 HydrophobicContact CB-CG1 4.37Å; P143-V163 HydrophobicContact CB-CG2 3.75Å; P143-V163 HydrophobicContact CG-CG2 4.09Å; P143-V380 HydrophobicContact CG-CG1 3.73Å
144	A	98.8	Very high	98.6	Very high	5 Å²	5	22.6 Å²	22.6	4%	0.041	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	137.1	170.9	0	0	0	0	0	111.6	K74 L76 Y150 Y156	K74-A144 HydrophobicContact CB-CB 4.1Å; K74-A144 HydrophobicContact CD-CB 4.15Å; K74-A144 HydrophobicContact CG-CB 3.82Å; L76-A144 HydrophobicContact CD2-CB 4.16Å; A144-Y150 WeakPolarHBondContact CB-O 3.36Å; A144-Y156 HydrophobicContact CB-CD1 4.48Å
145	G	98.4	Very high	98.6	Very high	7 Å²	7	28.2 Å²	28.2	7%	0.072	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-13.6	-170.7	0	0	0	0	0	114.3	P143 S149 N377	P143-G145 PolarHBondContact O-N 2.59Å; G145-S149 CarbonylContact C-O 3.58Å; G145-S149 WeakPolarHBondContact CA-O 3.34Å; G145-S149 PolarHBondContact N-O 3.46Å; G145-N377 PolarHBondContact O-ND2 2.87Å
146	V	98.8	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-84.1	128.8	176.3	178.4	0	0	0	0	110.9	C102 P143 F148 S149 V380	C102-V146 VanDerWaalsContact C-CG1 3.41Å; P143-V146 HydrophobicContact CG-CG2 4.27Å; P143-V146 VanDerWaalsContact O-CB 3.26Å; P143-V146 WeakPolarHBondContact O-CB 3.38Å; P143-V146 VanDerWaalsContact O-CG2 3.26Å; P143-V146 WeakPolarHBondContact O-CG2 3.32Å; P143-V146 PolarHBondContact O-N 3.48Å; P143-V146 VanDerWaalsContact O-N 3.1Å; V146-F148 PolarHBondContact O-N 2.89Å; V146-F148 VanDerWaalsContact O-N 3.16Å; V146-S149 VanDerWaalsContact O-CB 3.27Å; V146-S149 WeakPolarHBondContact O-CB 3.32Å; V146-S149 PolarHBondContact O-N 3.45Å; V146-V380 HydrophobicContact CG2-CG1 4.17Å; V146-V380 HydrophobicContact CG2-CG2 4.29Å
147	G	98.6	Very high	98.5	Very high	10 Å²	10	32.6 Å²	32.6	10%	0.103	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-116.2	177.7	0	0	0	0	0	112	E141	E141-G147 WeakPolarHBondContact OE1-CA 3.46Å
148	F	98.9	Very high	98.5	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.013	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-5.4	173.5	-57.9	-61.6	0	0	0	114.5	Y67 H77 L105 E141 V146 L355 R361 I366 L370 W373	Y67-F148 WeakPolarHBondContact CE1-O 3.14Å; Y67-F148 PolarHBondContact OH-O 2.96Å; H77-F148 HydrophobicContact CB-CB 3.82Å; H77-F148 AromaticContact CE1-CD2 3.72Å; H77-F148 AromaticContact ND1-CD2 3.82Å; L105-F148 HydrophobicContact CD1-CD2 4.18Å; L105-F148 HydrophobicContact CD1-CE2 4.15Å; E141-F148 WeakPolarHBondContact OE2-CB 3.28Å; E141-F148 PolarHBondContact OE2-N 3.48Å; V146-F148 PolarHBondContact O-N 2.89Å; V146-F148 VanDerWaalsContact O-N 3.16Å; F148-L355 HydrophobicContact CE2-CB 4.36Å; F148-L355 HydrophobicContact CE2-CD2 4.26Å; F148-L355 HydrophobicContact CZ-CB 4.09Å; F148-L355 WeakPolarHBondContact CZ-O 3.46Å; F148-R361 HydrophobicContact CE1-CG 4.14Å; F148-R361 HydrophobicContact CZ-CG 4.13Å; F148-I366 HydrophobicContact CB-CD1 3.85Å; F148-I366 HydrophobicContact CB-CG2 4.35Å; F148-I366 HydrophobicContact CD1-CB 4.42Å; F148-I366 HydrophobicContact CD1-CD1 4.14Å; F148-I366 HydrophobicContact CD1-CG1 4.1Å; F148-I366 HydrophobicContact CD1-CG2 3.47Å; F148-I366 VanDerWaalsContact CD1-CG2 3.47Å; F148-I366 HydrophobicContact CD2-CD1 3.48Å; F148-I366 VanDerWaalsContact CD2-CD1 3.48Å; F148-I366 HydrophobicContact CD2-CG1 4Å; F148-I366 HydrophobicContact CE1-CG1 4.1Å; F148-I366 HydrophobicContact CE1-CG2 3.82Å; F148-I366 HydrophobicContact CE2-CD1 3.96Å; F148-I366 HydrophobicContact CE2-CG1 4.01Å; F148-I366 HydrophobicContact CG-CD1 3.57Å; F148-I366 HydrophobicContact CG-CG1 4.02Å; F148-I366 HydrophobicContact CG-CG2 3.98Å; F148-I366 HydrophobicContact CZ-CD1 4.45Å; F148-I366 HydrophobicContact CZ-CG1 4.06Å; F148-L370 VanDerWaalsContact O-CD1 3.28Å; F148-L370 WeakPolarHBondContact O-CD1 3.48Å; F148-W373 HydrophobicContact CD1-CB 4.26Å; F148-W373 AromaticContact CD2-CD1 3.69Å; F148-W373 HydrophobicContact CE1-CB 3.65Å; F148-W373 HydrophobicContact CE1-CG 4.25Å; F148-W373 HydrophobicContact CE2-CB 4.42Å; F148-W373 AromaticContact CE2-CD1 3.59Å; F148-W373 HydrophobicContact CE2-CG 4.22Å; F148-W373 AromaticContact CG-CD1 3.99Å; F148-W373 HydrophobicContact CZ-CB 3.74Å; F148-W373 AromaticContact CZ-CD1 3.8Å; F148-W373 HydrophobicContact CZ-CG 4.02Å
149	S	98.9	Very high	98.5	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	18%	0.179	C	C	.	.			trans	-67.9	142.7	175	-62.9	0	0	0	0	111.5	H75 L76 H77 E141 G145 V146	H75-S149 CarbonylContact O-C 3.51Å; H75-S149 WeakPolarHBondContact O-CA 3.32Å; L76-S149 WeakPolarHBondContact CA-OG 3.41Å; H77-S149 PolarHBondContact N-OG 2.93Å; E141-S149 WeakPolarHBondContact CB-OG 3.37Å; E141-S149 WeakPolarHBondContact O-CB 3.4Å; E141-S149 PolarHBondContact O-OG 3.13Å; G145-S149 CarbonylContact C-O 3.58Å; G145-S149 WeakPolarHBondContact CA-O 3.34Å; G145-S149 PolarHBondContact N-O 3.46Å; V146-S149 VanDerWaalsContact O-CB 3.27Å; V146-S149 WeakPolarHBondContact O-CB 3.32Å; V146-S149 PolarHBondContact O-N 3.45Å
150	Y	98.8	Very high	98.5	Very high	42 Å²	42	34.8 Å²	34.8	17%	0.165	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	178.3	-175	72.2	-84.6	0	0	0	112.6	Y67 H75 A144 L370	Y67-Y150 HydrophobicContact CD1-CD1 4.27Å; Y67-Y150 AromaticContact CD1-CE1 3.88Å; Y67-Y150 HydrophobicContact CD1-CE1 3.88Å; Y67-Y150 AromaticContact CE1-CD1 3.78Å; Y67-Y150 HydrophobicContact CE1-CD1 3.78Å; Y67-Y150 AromaticContact CE1-CE1 3.64Å; Y67-Y150 HydrophobicContact CE1-CE1 3.64Å; H75-Y150 HydrophobicContact CB-CD1 3.96Å; H75-Y150 HydrophobicContact CB-CE1 3.6Å; H75-Y150 HydrophobicContact CB-CE2 4.18Å; H75-Y150 HydrophobicContact CB-CG 4.42Å; H75-Y150 AromaticContact CD2-CE2 3.6Å; H75-Y150 AromaticContact CD2-CZ 3.73Å; H75-Y150 AromaticContact CG-CZ 3.72Å; H75-Y150 PolarHBondContact N-O 2.83Å; H75-Y150 PolarHBondContact O-N 3.23Å; A144-Y150 WeakPolarHBondContact CB-O 3.36Å; Y150-L370 HydrophobicContact CD1-CD1 3.69Å; Y150-L370 HydrophobicContact CD1-CD2 3.6Å; Y150-L370 HydrophobicContact CD1-CG 4.3Å; Y150-L370 HydrophobicContact CD2-CD2 4.15Å; Y150-L370 HydrophobicContact CE1-CD1 4.07Å; Y150-L370 HydrophobicContact CE1-CD2 4.12Å; Y150-L370 HydrophobicContact CG-CD1 4.49Å; Y150-L370 HydrophobicContact CG-CD2 3.62Å
151	S	98.6	Very high	98.4	Very high	1 Å²	1	38 Å²	38	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.2	164.4	66.2	0	0	0	0	110.5	S73 D153 K154 F155	S73-S151 WeakPolarHBondContact O-CA 3.41Å; S73-S151 WeakPolarHBondContact O-CB 3.46Å; S151-D153 VanDerWaalsContact C-N 3.27Å; S151-D153 WeakPolarHBondContact CB-OD1 3.44Å; S151-D153 PolarHBondContact O-N 3.21Å; S151-D153 PolarHBondContact OG-OD1 3.25Å; S151-K154 WeakPolarHBondContact O-CG 3.17Å; S151-K154 PolarHBondContact O-N 2.98Å; S151-K154 VanDerWaalsContact O-N 3.1Å; S151-K154 WeakPolarHBondContact OG-CA 3.36Å; S151-K154 PolarHBondContact OG-N 3.32Å; S151-F155 PolarHBondContact OG-N 3.1Å
152	D	98.2	Very high	98.4	Very high	109 Å²	109	40.8 Å²	40.8	58%	0.583	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-38.2	-177.7	-62.5	-42	0	0	0	112.7	S73 H75 K154	S73-D152 PolarHBondContact O-N 3.14Å; H75-D152 IonicContact NE2-OD1 3.43Å; H75-D152 IonicContact NE2-OD2 3.53Å; D152-K154 VanDerWaalsContact C-N 3.35Å
153	D	97.3	Very high	98.4	Very high	90 Å²	90	40.8 Å²	40.8	48%	0.481	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.1	179	65.4	-2.3	0	0	0	113.7	S151 F155	S151-D153 VanDerWaalsContact C-N 3.27Å; S151-D153 WeakPolarHBondContact CB-OD1 3.44Å; S151-D153 PolarHBondContact O-N 3.21Å; S151-D153 PolarHBondContact OG-OD1 3.25Å; D153-F155 HydrophobicContact CB-CD2 4.49Å; D153-F155 PolarHBondContact O-N 2.83Å; D153-F155 PolarHBondContact OD1-N 2.73Å; D153-F155 VanDerWaalsContact OD1-N 3.14Å
154	K	97	Very high	98.5	Very high	149 Å²	149	40.9 Å²	40.9	65%	0.648	21%	0.213	S	C	*	.			trans	56.6	26.4	-177.6	-53.9	176.9	-175.8	179.1	0	114	S151 D152 Y156	S151-K154 WeakPolarHBondContact O-CG 3.17Å; S151-K154 PolarHBondContact O-N 2.98Å; S151-K154 VanDerWaalsContact O-N 3.1Å; S151-K154 WeakPolarHBondContact OG-CA 3.36Å; S151-K154 PolarHBondContact OG-N 3.32Å; D152-K154 VanDerWaalsContact C-N 3.35Å; K154-Y156 HydrophobicContact CB-CE1 4.49Å; K154-Y156 HydrophobicContact CB-CE2 4.43Å
155	F	97.1	Very high	98.5	Very high	163 Å²	163	44 Å²	44	72%	0.715	23%	0.227	S	C	*	.			trans	-89.8	106.2	173.3	-95.9	-86.6	0	0	0	111	S151 D153	S151-F155 PolarHBondContact OG-N 3.1Å; D153-F155 HydrophobicContact CB-CD2 4.49Å; D153-F155 PolarHBondContact O-N 2.83Å; D153-F155 PolarHBondContact OD1-N 2.73Å; D153-F155 VanDerWaalsContact OD1-N 3.14Å
156	Y	98.1	Very high	98.5	Very high	39 Å²	39	43.9 Å²	43.9	15%	0.153	23%	0.225	C	C	.	.			trans	-105.4	5.5	-173.4	-50.5	-43.1	0	0	0	114.9	A144 K154 T158	A144-Y156 HydrophobicContact CB-CD1 4.48Å; K154-Y156 HydrophobicContact CB-CE1 4.49Å; K154-Y156 HydrophobicContact CB-CE2 4.43Å; Y156-T158 PolarHBondContact O-N 3.4Å
157	A	98.3	Very high	98.5	Very high	54 Å²	54	43.9 Å²	43.9	45%	0.446	23%	0.225	S	C	.	.			trans	-73.7	110.6	175.8	0	0	0	0	0	110.2	Q383	A157-Q383 HydrophobicContact CB-CB 3.82Å; A157-Q383 HydrophobicContact CB-CG 4.44Å
158	T	98.7	Very high	98.5	Very high	12 Å²	12	44.5 Å²	44.5	7%	0.074	23%	0.225	C	C	.	.			trans	-139.9	-175	-171.2	-166.1	0	0	0	0	113	P143 Y156 E162 V163 Y384 R385	P143-T158 HydrophobicContact CB-CG2 4.07Å; P143-T158 HydrophobicContact CG-CG2 3.8Å; Y156-T158 PolarHBondContact O-N 3.4Å; T158-E162 WeakPolarHBondContact CA-OE2 3.46Å; T158-E162 WeakPolarHBondContact CB-OE2 3.2Å; T158-E162 VanDerWaalsContact OG1-CD 3.27Å; T158-E162 PolarHBondContact OG1-OE2 3.49Å; T158-V163 HydrophobicContact CG2-CG2 3.68Å; T158-Y384 HydrophobicContact CG2-CD2 3.89Å; T158-Y384 HydrophobicContact CG2-CE2 3.93Å; T158-R385 PolarHBondContact O-N 3.42Å
159	N	98.8	Very high	98.5	Very high	35 Å²	35	47.1 Å²	47.1	19%	0.187	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-155.6	165.3	-172.7	68.5	82	0	0	0	112.2	T161 E162 V163 R385 L387	N159-T161 VanDerWaalsContact C-N 3.28Å; N159-T161 PolarHBondContact O-N 3.15Å; N159-T161 VanDerWaalsContact O-N 3.11Å; N159-T161 PolarHBondContact OD1-N 2.99Å; N159-T161 PolarHBondContact OD1-OG1 3.21Å; N159-E162 PolarHBondContact O-N 2.88Å; N159-E162 VanDerWaalsContact O-N 3.08Å; N159-E162 PolarHBondContact OD1-N 2.83Å; N159-E162 VanDerWaalsContact OD1-N 3.15Å; N159-V163 WeakPolarHBondContact O-CG2 3.44Å; N159-V163 PolarHBondContact O-N 3.49Å; N159-R385 WeakPolarHBondContact CA-O 3.15Å; N159-R385 HydrophobicContact CB-CB 4.02Å; N159-R385 VanDerWaalsContact CB-O 3.28Å; N159-R385 WeakPolarHBondContact CB-O 3.42Å; N159-L387 HydrophobicContact CB-CD1 3.93Å; N159-L387 HydrophobicContact CB-CG 4.17Å; N159-L387 WeakPolarHBondContact OD1-CD1 2.95Å
160	D	98.8	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-52.1	-39.5	-174.7	-56.3	-36.4	0	0	0	114.5	A164 Y193 I196 Y384 L387 Y388	D160-A164 WeakPolarHBondContact O-CB 3.29Å; D160-A164 PolarHBondContact O-N 3.4Å; D160-A164 VanDerWaalsContact O-N 3.08Å; D160-Y193 PolarHBondContact OD1-OH 3.01Å; D160-I196 HydrophobicContact CB-CG2 4.23Å; D160-Y384 VanDerWaalsContact CA-OH 3.26Å; D160-Y384 WeakPolarHBondContact CA-OH 3.35Å; D160-Y384 PolarHBondContact N-OH 3.49Å; D160-Y384 WeakPolarHBondContact OD1-CE1 3.42Å; D160-Y384 PolarHBondContact OD1-OH 3.18Å; D160-L387 HydrophobicContact CB-CB 4.43Å; D160-L387 PolarHBondContact OD2-N 3.12Å; D160-Y388 HydrophobicContact CB-CD2 3.6Å; D160-Y388 HydrophobicContact CB-CE2 3.78Å; D160-Y388 PolarHBondContact OD2-N 2.89Å; D160-Y388 VanDerWaalsContact OD2-N 3.16Å
161	T	98.8	Very high	98.5	Very high	70 Å²	70	45 Å²	45	43%	0.429	23%	0.228	S	C	.	.	H	α-helix	trans	-73.9	-36.9	-178.6	51.5	0	0	0	0	113	N159 Q165 L387 Y388	N159-T161 VanDerWaalsContact C-N 3.28Å; N159-T161 PolarHBondContact O-N 3.15Å; N159-T161 VanDerWaalsContact O-N 3.11Å; N159-T161 PolarHBondContact OD1-N 2.99Å; N159-T161 PolarHBondContact OD1-OG1 3.21Å; T161-Q165 WeakPolarHBondContact O-CB 3.43Å; T161-Q165 PolarHBondContact O-N 3.43Å; T161-Q165 VanDerWaalsContact O-N 3.15Å; T161-L387 HydrophobicContact CG2-CD1 4.05Å; T161-Y388 HydrophobicContact CG2-CE2 4.05Å; T161-Y388 WeakPolarHBondContact CG2-OH 3.27Å
162	E	98.8	Very high	98.5	Very high	58 Å²	58	48.9 Å²	48.9	27%	0.271	25%	0.246	S	C	.	.	H	α-helix	trans	-72.2	-38.7	176.8	-177	-178.5	-161.2	0	0	111.7	K74 T158 N159 Q165 S166	K74-E162 VanDerWaalsContact CE-OE1 3.28Å; K74-E162 WeakPolarHBondContact CE-OE1 3.17Å; K74-E162 IonicContact NZ-OE1 2.81Å; K74-E162 PolarHBondContact NZ-OE1 3Å; T158-E162 WeakPolarHBondContact CA-OE2 3.46Å; T158-E162 WeakPolarHBondContact CB-OE2 3.2Å; T158-E162 VanDerWaalsContact OG1-CD 3.27Å; T158-E162 PolarHBondContact OG1-OE2 3.49Å; N159-E162 PolarHBondContact O-N 2.88Å; N159-E162 VanDerWaalsContact O-N 3.08Å; N159-E162 PolarHBondContact OD1-N 2.83Å; N159-E162 VanDerWaalsContact OD1-N 3.15Å; E162-Q165 PolarHBondContact O-N 2.76Å; E162-S166 VanDerWaalsContact O-CB 3.32Å; E162-S166 WeakPolarHBondContact O-CB 3.34Å; E162-S166 PolarHBondContact O-N 3.19Å
163	V	98.9	Very high	98.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-44.6	176.1	178.2	0	0	0	0	111.3	P143 T158 N159 Q165 S166 N167 Y197 Y384	P143-V163 HydrophobicContact CB-CG1 4.37Å; P143-V163 HydrophobicContact CB-CG2 3.75Å; P143-V163 HydrophobicContact CG-CG2 4.09Å; T158-V163 HydrophobicContact CG2-CG2 3.68Å; N159-V163 WeakPolarHBondContact O-CG2 3.44Å; N159-V163 PolarHBondContact O-N 3.49Å; V163-Q165 VanDerWaalsContact C-N 3.32Å; V163-Q165 PolarHBondContact O-N 3.16Å; V163-S166 PolarHBondContact O-N 2.67Å; V163-N167 WeakPolarHBondContact O-CB 3.14Å; V163-N167 VanDerWaalsContact O-CG 3.25Å; V163-N167 PolarHBondContact O-N 3.29Å; V163-N167 PolarHBondContact O-OD1 3.03Å; V163-Y197 HydrophobicContact CB-CE1 4.44Å; V163-Y197 HydrophobicContact CG1-CD1 3.92Å; V163-Y197 HydrophobicContact CG1-CE1 3.81Å; V163-Y384 HydrophobicContact CG2-CE2 3.87Å
164	A	98.9	Very high	98.6	Very high	6 Å²	6	41.3 Å²	41.3	5%	0.05	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-45.3	175.2	0	0	0	0	0	111.8	D160 N167 F168 L204	D160-A164 WeakPolarHBondContact O-CB 3.29Å; D160-A164 PolarHBondContact O-N 3.4Å; D160-A164 VanDerWaalsContact O-N 3.08Å; A164-N167 PolarHBondContact O-N 3.47Å; A164-F168 WeakPolarHBondContact O-CB 3.49Å; A164-F168 PolarHBondContact O-N 3.01Å; A164-L204 HydrophobicContact CB-CD1 4.1Å; A164-L204 WeakPolarHBondContact O-CD1 3.33Å
165	Q	98.9	Very high	98.7	Very high	72 Å²	72	34.8 Å²	34.8	34%	0.336	18%	0.177	S	C	.	.	H	α-helix	trans	-66.3	-43.1	177.9	-176.4	59.9	38.2	0	0	112.3	T161 E162 V163 N167 F168 E169 L204	T161-Q165 WeakPolarHBondContact O-CB 3.43Å; T161-Q165 PolarHBondContact O-N 3.43Å; T161-Q165 VanDerWaalsContact O-N 3.15Å; E162-Q165 PolarHBondContact O-N 2.76Å; V163-Q165 VanDerWaalsContact C-N 3.32Å; V163-Q165 PolarHBondContact O-N 3.16Å; Q165-N167 VanDerWaalsContact C-N 3.33Å; Q165-N167 PolarHBondContact O-N 3.16Å; Q165-F168 WeakPolarHBondContact O-CB 3.34Å; Q165-F168 PolarHBondContact O-N 3.21Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.4Å; Q165-E169 PolarHBondContact NE2-OE1 3.05Å; Q165-E169 PolarHBondContact O-N 3.21Å; Q165-L204 HydrophobicContact CB-CD1 4.47Å
166	S	98.9	Very high	98.7	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-34.3	177.7	-169.3	0	0	0	0	112.6	G70 S71 K74 E162 V163 A170	G70-S166 WeakPolarHBondContact CA-OG 3.36Å; S71-S166 PolarHBondContact N-OG 3.13Å; K74-S166 WeakPolarHBondContact CD-OG 3.47Å; E162-S166 VanDerWaalsContact O-CB 3.32Å; E162-S166 WeakPolarHBondContact O-CB 3.34Å; E162-S166 PolarHBondContact O-N 3.19Å; V163-S166 PolarHBondContact O-N 2.67Å; S166-A170 VanDerWaalsContact O-CB 3.3Å; S166-A170 WeakPolarHBondContact O-CB 3.07Å; S166-A170 PolarHBondContact O-N 2.8Å
167	N	98.9	Very high	98.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-73.6	-32.8	175.1	-70.7	-1.9	0	0	0	111.7	S142 V163 A164 Q165 L171 L201	S142-N167 WeakPolarHBondContact CB-OD1 3.38Å; S142-N167 VanDerWaalsContact OG-CG 3.31Å; S142-N167 PolarHBondContact OG-ND2 2.62Å; S142-N167 PolarHBondContact OG-OD1 3.28Å; V163-N167 WeakPolarHBondContact O-CB 3.14Å; V163-N167 VanDerWaalsContact O-CG 3.25Å; V163-N167 PolarHBondContact O-N 3.29Å; V163-N167 PolarHBondContact O-OD1 3.03Å; A164-N167 PolarHBondContact O-N 3.47Å; Q165-N167 VanDerWaalsContact C-N 3.33Å; Q165-N167 PolarHBondContact O-N 3.16Å; N167-L171 VanDerWaalsContact O-CB 3.29Å; N167-L171 WeakPolarHBondContact O-CB 3.37Å; N167-L171 PolarHBondContact O-N 3.39Å; N167-L201 HydrophobicContact CB-CD1 4.04Å; N167-L201 HydrophobicContact CB-CD2 4.13Å
168	F	98.9	Very high	98.7	Very high	23 Å²	23	31 Å²	31	10%	0.101	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-47.2	173.4	175.1	-104.4	0	0	0	111.5	A164 Q165 L171 Q172 L201 L204 V205 D208 M211	A164-F168 WeakPolarHBondContact O-CB 3.49Å; A164-F168 PolarHBondContact O-N 3.01Å; Q165-F168 WeakPolarHBondContact O-CB 3.34Å; Q165-F168 PolarHBondContact O-N 3.21Å; F168-L171 PolarHBondContact O-N 2.96Å; F168-Q172 HydrophobicContact CE1-CG 4.28Å; F168-Q172 HydrophobicContact CE2-CG 4.47Å; F168-Q172 HydrophobicContact CZ-CG 4.15Å; F168-Q172 VanDerWaalsContact CZ-NE2 3.28Å; F168-Q172 PolarHBondContact O-N 2.96Å; F168-L201 HydrophobicContact CB-CD1 3.78Å; F168-L204 HydrophobicContact CB-CB 4.18Å; F168-L204 HydrophobicContact CB-CD1 3.83Å; F168-L204 HydrophobicContact CD2-CB 3.87Å; F168-L204 HydrophobicContact CE2-CB 4.46Å; F168-L204 HydrophobicContact CG-CB 3.95Å; F168-L204 HydrophobicContact CG-CD1 4.29Å; F168-V205 HydrophobicContact CD2-CG2 3.92Å; F168-V205 HydrophobicContact CE2-CG2 4.4Å; F168-D208 HydrophobicContact CE2-CB 3.9Å; F168-D208 HydrophobicContact CZ-CB 3.91Å; F168-M211 HydrophobicContact CD2-CE 4.25Å; F168-M211 HydrophobicContact CE2-CE 3.88Å; F168-M211 HydrophobicContact CE2-SD 4.29Å
169	E	98.9	Very high	98.7	Very high	58 Å²	58	32 Å²	32	27%	0.271	16%	0.162	S	C	.	.	H	α-helix	trans	-62.4	-43.8	175.2	-73.6	171.1	-139	0	0	111.8	K69 S71 Q165 L171 Q172 D173	K69-E169 CarbonylContact O-C 3.53Å; S71-E169 WeakPolarHBondContact CA-OE2 3.35Å; S71-E169 WeakPolarHBondContact CB-OE2 3.27Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.4Å; Q165-E169 PolarHBondContact NE2-OE1 3.05Å; Q165-E169 PolarHBondContact O-N 3.21Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 2.97Å; E169-Q172 WeakPolarHBondContact O-CB 3.36Å; E169-Q172 PolarHBondContact O-N 2.96Å; E169-Q172 VanDerWaalsContact O-N 3.15Å; E169-D173 PolarHBondContact O-N 3.12Å
170	A	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-36.8	173.9	0	0	0	0	0	112.5	L68 K69 L76 L140 S166 D173 F174	L68-A170 HydrophobicContact CB-CB 3.76Å; L68-A170 HydrophobicContact CD1-CB 4.32Å; L68-A170 WeakPolarHBondContact CD1-O 3.26Å; K69-A170 WeakPolarHBondContact O-CA 3.48Å; K69-A170 PolarHBondContact O-N 2.96Å; L76-A170 HydrophobicContact CD1-CB 3.88Å; L140-A170 HydrophobicContact CD2-CB 4.34Å; S166-A170 VanDerWaalsContact O-CB 3.3Å; S166-A170 WeakPolarHBondContact O-CB 3.07Å; S166-A170 PolarHBondContact O-N 2.8Å; A170-D173 PolarHBondContact O-N 2.83Å; A170-F174 PolarHBondContact O-N 3.03Å
171	L	98.9	Very high	98.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-71.9	-31.7	176.2	-170.2	61.8	0	0	0	112.5	L138 N167 F168 E169 D173 F174 F175 L186 L188 V205 M211	L138-L171 HydrophobicContact CD2-CD1 4.23Å; N167-L171 VanDerWaalsContact O-CB 3.29Å; N167-L171 WeakPolarHBondContact O-CB 3.37Å; N167-L171 PolarHBondContact O-N 3.39Å; F168-L171 PolarHBondContact O-N 2.96Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 2.97Å; L171-D173 VanDerWaalsContact C-N 3.35Å; L171-F174 HydrophobicContact CD1-CD1 4.26Å; L171-F175 HydrophobicContact CD1-CD2 4.45Å; L171-F175 HydrophobicContact CD1-CE2 3.95Å; L171-F175 HydrophobicContact CG-CD2 4.26Å; L171-F175 HydrophobicContact CG-CE2 3.9Å; L171-F175 WeakPolarHBondContact O-CD2 3.26Å; L171-F175 PolarHBondContact O-N 2.77Å; L171-F175 VanDerWaalsContact O-N 3.16Å; L171-L186 HydrophobicContact CD2-CD2 4.01Å; L171-L188 HydrophobicContact CD2-CD2 4.05Å; L171-V205 HydrophobicContact CD2-CG2 4.02Å; L171-M211 HydrophobicContact CB-CE 4.22Å; L171-M211 HydrophobicContact CD2-CE 4.36Å; L171-M211 HydrophobicContact CD2-SD 3.78Å; L171-M211 HydrophobicContact CG-CE 4.07Å; L171-M211 HydrophobicContact CG-SD 4.04Å
172	Q	98.8	Very high	98.6	Very high	82 Å²	82	35 Å²	35	38%	0.383	17%	0.168	S	C	.	.	H	α-helix	trans	-64.2	-40.9	168.3	-71	-176.3	-41.4	0	0	111.2	F168 E169 F175 H176 D208 M211	F168-Q172 HydrophobicContact CE1-CG 4.28Å; F168-Q172 HydrophobicContact CE2-CG 4.47Å; F168-Q172 HydrophobicContact CZ-CG 4.15Å; F168-Q172 VanDerWaalsContact CZ-NE2 3.28Å; F168-Q172 PolarHBondContact O-N 2.96Å; E169-Q172 WeakPolarHBondContact O-CB 3.36Å; E169-Q172 PolarHBondContact O-N 2.96Å; E169-Q172 VanDerWaalsContact O-N 3.15Å; Q172-F175 PolarHBondContact O-N 3.26Å; Q172-H176 PolarHBondContact O-N 2.81Å; Q172-D208 PolarHBondContact NE2-OD2 3.03Å; Q172-M211 HydrophobicContact CB-CE 4.22Å; Q172-M211 HydrophobicContact CG-CE 3.34Å
173	D	98.8	Very high	98.5	Very high	40 Å²	40	38.9 Å²	38.9	21%	0.214	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-38.9	176.8	-157.8	48.8	0	0	0	112	K69 E169 A170 L171 F175 H176 L177	K69-D173 HydrophobicContact CB-CB 4.47Å; K69-D173 WeakPolarHBondContact CB-OD2 3.43Å; K69-D173 PolarHBondContact N-OD2 3Å; E169-D173 PolarHBondContact O-N 3.12Å; A170-D173 PolarHBondContact O-N 2.83Å; L171-D173 VanDerWaalsContact C-N 3.35Å; D173-F175 PolarHBondContact O-N 2.94Å; D173-H176 WeakPolarHBondContact O-CA 3.34Å; D173-H176 VanDerWaalsContact O-CB 3.3Å; D173-H176 WeakPolarHBondContact O-CB 3.37Å; D173-H176 PolarHBondContact O-N 3.48Å; D173-L177 WeakPolarHBondContact O-CG 3.5Å; D173-L177 PolarHBondContact O-N 3.4Å
174	F	98.8	Very high	98.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-48.2	170.8	172.2	-98.7	0	0	0	111.5	L68 F80 V92 L138 A170 L171 H176 L177 F178 Y181	L68-F174 HydrophobicContact CD1-CB 3.84Å; L68-F174 HydrophobicContact CD2-CB 3.91Å; F80-F174 HydrophobicContact CB-CE2 4.5Å; F80-F174 HydrophobicContact CD1-CE2 4.23Å; F80-F174 AromaticContact CD2-CE2 3.87Å; F80-F174 HydrophobicContact CD2-CE2 3.87Å; F80-F174 AromaticContact CD2-CZ 3.96Å; F80-F174 HydrophobicContact CD2-CZ 3.96Å; F80-F174 HydrophobicContact CE1-CE2 4.42Å; F80-F174 HydrophobicContact CE1-CZ 4.32Å; F80-F174 HydrophobicContact CE2-CE2 4.03Å; F80-F174 AromaticContact CE2-CZ 3.64Å; F80-F174 HydrophobicContact CE2-CZ 3.64Å; F80-F174 AromaticContact CG-CE2 3.96Å; F80-F174 HydrophobicContact CG-CE2 3.96Å; F80-F174 HydrophobicContact CG-CZ 4.39Å; F80-F174 HydrophobicContact CZ-CE2 4.29Å; F80-F174 AromaticContact CZ-CZ 3.83Å; F80-F174 HydrophobicContact CZ-CZ 3.83Å; V92-F174 HydrophobicContact CG1-CE1 3.99Å; V92-F174 HydrophobicContact CG1-CZ 4.42Å; L138-F174 HydrophobicContact CD1-CD2 3.95Å; L138-F174 HydrophobicContact CD1-CE2 4.02Å; L138-F174 HydrophobicContact CD2-CB 4.32Å; L138-F174 HydrophobicContact CD2-CD1 4.16Å; L138-F174 HydrophobicContact CD2-CD2 3.79Å; L138-F174 HydrophobicContact CD2-CE1 4.49Å; L138-F174 HydrophobicContact CD2-CE2 4.15Å; L138-F174 HydrophobicContact CD2-CG 3.8Å; L138-F174 HydrophobicContact CD2-CZ 4.49Å; L138-F174 HydrophobicContact CG-CD2 4.49Å; A170-F174 PolarHBondContact O-N 3.03Å; L171-F174 HydrophobicContact CD1-CD1 4.26Å; F174-H176 PolarHBondContact O-N 2.85Å; F174-L177 PolarHBondContact O-N 3.1Å; F174-F178 AromaticContact CD2-CD2 3.58Å; F174-F178 HydrophobicContact CD2-CD2 3.58Å; F174-F178 AromaticContact CD2-CE2 3.88Å; F174-F178 HydrophobicContact CD2-CE2 3.88Å; F174-F178 HydrophobicContact CD2-CG 4.42Å; F174-F178 HydrophobicContact CE2-CB 4.4Å; F174-F178 AromaticContact CE2-CD2 3.45Å; F174-F178 HydrophobicContact CE2-CD2 3.45Å; F174-F178 VanDerWaalsContact CE2-CD2 3.45Å; F174-F178 AromaticContact CE2-CE2 3.76Å; F174-F178 HydrophobicContact CE2-CE2 3.76Å; F174-F178 AromaticContact CE2-CG 3.93Å; F174-F178 HydrophobicContact CE2-CG 3.93Å; F174-F178 HydrophobicContact CE2-CZ 4.44Å; F174-F178 HydrophobicContact CG-CD2 4.39Å; F174-F178 HydrophobicContact CZ-CB 4.3Å; F174-F178 HydrophobicContact CZ-CD2 4.19Å; F174-F178 HydrophobicContact CZ-CG 4.26Å; F174-F178 WeakPolarHBondContact O-CD2 2.96Å; F174-F178 PolarHBondContact O-N 3.23Å; F174-Y181 HydrophobicContact CZ-CD2 4.26Å
175	F	98.6	Very high	98.5	Very high	12 Å²	12	44.3 Å²	44.3	5%	0.053	21%	0.214	C	C	.	.	H	α-helix	trans	-71.5	-14.9	175.3	-70.9	-57.2	0	0	0	113.2	L171 Q172 D173 K182 L186 M211	L171-F175 HydrophobicContact CD1-CD2 4.45Å; L171-F175 HydrophobicContact CD1-CE2 3.95Å; L171-F175 HydrophobicContact CG-CD2 4.26Å; L171-F175 HydrophobicContact CG-CE2 3.9Å; L171-F175 WeakPolarHBondContact O-CD2 3.26Å; L171-F175 PolarHBondContact O-N 2.77Å; L171-F175 VanDerWaalsContact O-N 3.16Å; Q172-F175 PolarHBondContact O-N 3.26Å; D173-F175 PolarHBondContact O-N 2.94Å; F175-K182 HydrophobicContact CB-CG 4.05Å; F175-K182 HydrophobicContact CD1-CG 4.17Å; F175-K182 HydrophobicContact CG-CG 4.38Å; F175-K182 WeakPolarHBondContact O-CE 3.49Å; F175-L186 HydrophobicContact CE2-CD2 4.19Å; F175-L186 HydrophobicContact CZ-CD1 4.27Å; F175-L186 HydrophobicContact CZ-CD2 4.32Å; F175-M211 HydrophobicContact CD2-CE 4.21Å; F175-M211 HydrophobicContact CD2-CG 4.16Å; F175-M211 HydrophobicContact CD2-SD 4.37Å; F175-M211 HydrophobicContact CE2-CG 4.01Å; F175-M211 HydrophobicContact CE2-SD 4.12Å
176	H	98	Very high	98.5	Very high	133 Å²	133	40.9 Å²	40.9	62%	0.616	20%	0.198	S	C	*	.	H	α-helix	trans	-75.4	-45	169.3	-177	41.9	0	0	0	111.5	Q172 D173 F174	Q172-H176 PolarHBondContact O-N 2.81Å; D173-H176 WeakPolarHBondContact O-CA 3.34Å; D173-H176 VanDerWaalsContact O-CB 3.3Å; D173-H176 WeakPolarHBondContact O-CB 3.37Å; D173-H176 PolarHBondContact O-N 3.48Å; F174-H176 PolarHBondContact O-N 2.85Å
177	L	98.2	Very high	98.5	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.225	20%	0.197	C	C	.	.	H	α-helix	trans	-71.9	-35.7	178.4	-66.7	173.6	0	0	0	113.3	P44 L68 D173 F174 P179	P44-L177 WeakPolarHBondContact CD-O 3.24Å; P44-L177 HydrophobicContact CG-CB 4.23Å; L68-L177 HydrophobicContact CD2-CD1 3.82Å; D173-L177 WeakPolarHBondContact O-CG 3.5Å; D173-L177 PolarHBondContact O-N 3.4Å; F174-L177 PolarHBondContact O-N 3.1Å; L177-P179 VanDerWaalsContact O-CD 3.24Å; L177-P179 WeakPolarHBondContact O-CD 3.26Å
178	F	98.4	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.			trans	-118.2	67.9	179	-57.6	-102.2	0	0	0	111.3	A43 P44 Y64 Y78 F80 F174 E180 Y181	A43-F178 HydrophobicContact CB-CD1 3.45Å; A43-F178 VanDerWaalsContact CB-CD1 3.45Å; A43-F178 HydrophobicContact CB-CE1 3.51Å; P44-F178 HydrophobicContact CG-CE2 4.02Å; P44-F178 HydrophobicContact CG-CZ 3.92Å; Y64-F178 HydrophobicContact CD1-CE1 4.12Å; Y64-F178 HydrophobicContact CD1-CZ 4.25Å; Y64-F178 AromaticContact CD2-CE1 3.75Å; Y64-F178 HydrophobicContact CD2-CE1 3.75Å; Y64-F178 HydrophobicContact CD2-CZ 4.12Å; Y64-F178 HydrophobicContact CE1-CE1 4.29Å; Y64-F178 AromaticContact CE2-CE1 3.93Å; Y64-F178 HydrophobicContact CE2-CE1 3.93Å; Y64-F178 AromaticContact CG-CE1 3.85Å; Y64-F178 HydrophobicContact CG-CE1 3.85Å; Y64-F178 AromaticContact CG-CZ 3.86Å; Y64-F178 HydrophobicContact CG-CZ 3.86Å; Y78-F178 AromaticContact CE2-CE2 3.99Å; Y78-F178 HydrophobicContact CE2-CE2 3.99Å; Y78-F178 HydrophobicContact CE2-CZ 4.01Å; Y78-F178 AromaticContact CZ-CE2 3.9Å; Y78-F178 WeakPolarHBondContact OH-CE2 3.25Å; Y78-F178 WeakPolarHBondContact OH-CZ 3.43Å; F80-F178 HydrophobicContact CD1-CD1 4.25Å; F80-F178 AromaticContact CD1-CE1 3.71Å; F80-F178 HydrophobicContact CD1-CE1 3.71Å; F80-F178 AromaticContact CD1-CZ 3.99Å; F80-F178 HydrophobicContact CD1-CZ 3.99Å; F80-F178 HydrophobicContact CE1-CD1 4.1Å; F80-F178 AromaticContact CE1-CE1 3.98Å; F80-F178 HydrophobicContact CE1-CE1 3.98Å; F174-F178 AromaticContact CD2-CD2 3.58Å; F174-F178 HydrophobicContact CD2-CD2 3.58Å; F174-F178 AromaticContact CD2-CE2 3.88Å; F174-F178 HydrophobicContact CD2-CE2 3.88Å; F174-F178 HydrophobicContact CD2-CG 4.42Å; F174-F178 HydrophobicContact CE2-CB 4.4Å; F174-F178 AromaticContact CE2-CD2 3.45Å; F174-F178 HydrophobicContact CE2-CD2 3.45Å; F174-F178 VanDerWaalsContact CE2-CD2 3.45Å; F174-F178 AromaticContact CE2-CE2 3.76Å; F174-F178 HydrophobicContact CE2-CE2 3.76Å; F174-F178 AromaticContact CE2-CG 3.93Å; F174-F178 HydrophobicContact CE2-CG 3.93Å; F174-F178 HydrophobicContact CE2-CZ 4.44Å; F174-F178 HydrophobicContact CG-CD2 4.39Å; F174-F178 HydrophobicContact CZ-CB 4.3Å; F174-F178 HydrophobicContact CZ-CD2 4.19Å; F174-F178 HydrophobicContact CZ-CG 4.26Å; F174-F178 WeakPolarHBondContact O-CD2 2.96Å; F174-F178 PolarHBondContact O-N 3.23Å; F178-E180 VanDerWaalsContact CA-OE2 3.3Å; F178-E180 WeakPolarHBondContact CA-OE2 3.46Å; F178-E180 PolarHBondContact O-N 2.77Å; F178-Y181 HydrophobicContact CB-CD2 3.68Å; F178-Y181 HydrophobicContact CB-CE2 4.29Å; F178-Y181 HydrophobicContact CD1-CD2 4.21Å; F178-Y181 AromaticContact CD1-CE2 4Å; F178-Y181 HydrophobicContact CD1-CE2 4Å; F178-Y181 HydrophobicContact CG-CD2 4.29Å; F178-Y181 PolarHBondContact O-N 3.29Å; F178-Y181 VanDerWaalsContact O-N 3.12Å
179	P	97.9	Very high	98.5	Very high	35 Å²	35	39.6 Å²	39.6	23%	0.227	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-63	-22.5	-174.6	27.4	-36.1	0	0	0	114.4	E41 L177 Y181 K182	E41-P179 WeakPolarHBondContact O-CG 3.21Å; L177-P179 VanDerWaalsContact O-CD 3.24Å; L177-P179 WeakPolarHBondContact O-CD 3.26Å; P179-Y181 PolarHBondContact O-N 3.16Å; P179-K182 WeakPolarHBondContact O-CG 3.27Å; P179-K182 PolarHBondContact O-N 3.23Å
180	E	97.6	Very high	98.5	Very high	75 Å²	75	36.8 Å²	36.8	35%	0.35	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-59.9	-30.9	173.6	59.4	-91.4	-119.5	0	0	112.9	A43 F178	A43-E180 PolarHBondContact N-OE1 3.15Å; F178-E180 VanDerWaalsContact CA-OE2 3.3Å; F178-E180 WeakPolarHBondContact CA-OE2 3.46Å; F178-E180 PolarHBondContact O-N 2.77Å
181	Y	98.6	Very high	98.5	Very high	4 Å²	4	37 Å²	37	2%	0.016	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-86.6	-4.5	-178.1	-65.1	-56.9	0	0	0	114.9	F80 E82 P87 V92 F174 F178 P179 N183 N184	F80-Y181 HydrophobicContact CE1-CD2 4.05Å; F80-Y181 AromaticContact CE1-CE2 3.42Å; F80-Y181 HydrophobicContact CE1-CE2 3.42Å; F80-Y181 VanDerWaalsContact CE1-CE2 3.42Å; F80-Y181 AromaticContact CZ-CD2 3.79Å; F80-Y181 HydrophobicContact CZ-CD2 3.79Å; F80-Y181 AromaticContact CZ-CE2 3.47Å; F80-Y181 HydrophobicContact CZ-CE2 3.47Å; F80-Y181 VanDerWaalsContact CZ-CE2 3.47Å; F80-Y181 AromaticContact CZ-CZ 3.92Å; E82-Y181 VanDerWaalsContact CD-OH 3.28Å; E82-Y181 WeakPolarHBondContact CG-OH 3.37Å; P87-Y181 WeakPolarHBondContact O-CE1 3.15Å; V92-Y181 HydrophobicContact CG2-CD1 4.21Å; V92-Y181 HydrophobicContact CG2-CG 4.06Å; F174-Y181 HydrophobicContact CZ-CD2 4.26Å; F178-Y181 HydrophobicContact CB-CD2 3.68Å; F178-Y181 HydrophobicContact CB-CE2 4.29Å; F178-Y181 HydrophobicContact CD1-CD2 4.21Å; F178-Y181 AromaticContact CD1-CE2 4Å; F178-Y181 HydrophobicContact CD1-CE2 4Å; F178-Y181 HydrophobicContact CG-CD2 4.29Å; F178-Y181 PolarHBondContact O-N 3.29Å; F178-Y181 VanDerWaalsContact O-N 3.12Å; P179-Y181 PolarHBondContact O-N 3.16Å; Y181-N183 PolarHBondContact O-N 2.89Å; Y181-N183 VanDerWaalsContact O-N 3.13Å; Y181-N184 WeakPolarHBondContact O-CB 3.26Å; Y181-N184 PolarHBondContact O-N 2.86Å
182	K	96.9	Very high	98.5	Very high	87 Å²	87	37.4 Å²	37.4	38%	0.378	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-53.1	-38.1	-178.8	-74.7	178.1	-176.3	178.1	0	114.3	F175 P179	F175-K182 HydrophobicContact CB-CG 4.05Å; F175-K182 HydrophobicContact CD1-CG 4.17Å; F175-K182 HydrophobicContact CG-CG 4.38Å; F175-K182 WeakPolarHBondContact O-CE 3.49Å; P179-K182 WeakPolarHBondContact O-CG 3.27Å; P179-K182 PolarHBondContact O-N 3.23Å
183	N	97.9	Very high	98.5	Very high	140 Å²	140	33.5 Å²	33.5	75%	0.749	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-86.1	-14.7	-178.4	-62.7	-47.3	0	0	0	113	Y181 N212	Y181-N183 PolarHBondContact O-N 2.89Å; Y181-N183 VanDerWaalsContact O-N 3.13Å; N183-N212 PolarHBondContact O-ND2 3.16Å
184	N	98.8	Very high	98.5	Very high	16 Å²	16	31.6 Å²	31.6	9%	0.086	16%	0.155	C	C	.	.	S	Bend	trans	-68.1	149.4	-178.9	-87	-74	0	0	0	111	E88 N89 S90 V92 Y181 L186	E88-N184 PolarHBondContact O-ND2 2.8Å; E88-N184 PolarHBondContact O-OD1 3.34Å; N89-N184 WeakPolarHBondContact CA-OD1 3.35Å; N89-N184 PolarHBondContact O-OD1 2.85Å; S90-N184 PolarHBondContact O-OD1 2.84Å; V92-N184 HydrophobicContact CG2-CB 4.05Å; Y181-N184 WeakPolarHBondContact O-CB 3.26Å; Y181-N184 PolarHBondContact O-N 2.86Å; N184-L186 PolarHBondContact O-N 1.9Å; N184-L186 VanDerWaalsContact O-N 3.16Å
185	K	98.9	Very high	98.5	Very high	105 Å²	105	31.6 Å²	31.6	46%	0.457	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-63.3	117.7	-179.3	-67.1	179.8	-175.9	163.1	0	109.2	P91 V92 F187 Q214	P91-K185 CarbonylContact C-O 3.47Å; P91-K185 WeakPolarHBondContact CA-O 3.26Å; P91-K185 HydrophobicContact CB-CB 4.21Å; P91-K185 WeakPolarHBondContact CB-O 3.2Å; P91-K185 HydrophobicContact CG-CB 4.45Å; V92-K185 PolarHBondContact N-O 3.14Å; K185-F187 HydrophobicContact CB-CE2 3.94Å; K185-Q214 HydrophobicContact CB-CB 4.44Å; K185-Q214 HydrophobicContact CB-CG 3.72Å; K185-Q214 HydrophobicContact CD-CG 4.26Å; K185-Q214 HydrophobicContact CG-CG 3.8Å
186	L	98.9	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.3	177.5	173.7	65.9	0	0	0	110.5	V92 L171 F175 N184 L188 V205 M211 N212 L213 Q214	V92-L186 HydrophobicContact CB-CD1 4.36Å; V92-L186 HydrophobicContact CG1-CD1 4.11Å; V92-L186 CarbonylContact O-C 3.57Å; V92-L186 WeakPolarHBondContact O-CA 3.17Å; L171-L186 HydrophobicContact CD2-CD2 4.01Å; F175-L186 HydrophobicContact CE2-CD2 4.19Å; F175-L186 HydrophobicContact CZ-CD1 4.27Å; F175-L186 HydrophobicContact CZ-CD2 4.32Å; N184-L186 PolarHBondContact O-N 1.9Å; N184-L186 VanDerWaalsContact O-N 3.16Å; L186-L188 HydrophobicContact CD1-CD2 4.08Å; L186-L188 HydrophobicContact CD2-CD2 4.28Å; L186-L188 HydrophobicContact CG-CD2 4.21Å; L186-V205 HydrophobicContact CD2-CG1 3.9Å; L186-M211 HydrophobicContact CD2-CB 4.11Å; L186-M211 HydrophobicContact CD2-SD 4.3Å; L186-N212 PolarHBondContact N-O 3.37Å; L186-L213 HydrophobicContact CD2-CD1 4.49Å; L186-L213 HydrophobicContact CG-CD1 4.39Å; L186-Q214 PolarHBondContact O-N 2.88Å
187	F	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.1	166.6	-64.6	-97.6	0	0	0	110.1	P91 V92 V93 L94 K185 Q214 G215 F488 L489	P91-F187 HydrophobicContact CB-CD2 3.91Å; P91-F187 HydrophobicContact CB-CE2 3.94Å; P91-F187 HydrophobicContact CG-CE2 4.28Å; V92-F187 PolarHBondContact O-N 2.84Å; V93-F187 WeakPolarHBondContact CA-O 3.32Å; V93-F187 HydrophobicContact CG2-CB 4.33Å; L94-F187 PolarHBondContact N-O 3.28Å; K185-F187 HydrophobicContact CB-CE2 3.94Å; F187-Q214 HydrophobicContact CD1-CB 4.39Å; F187-Q214 HydrophobicContact CD2-CB 4.45Å; F187-Q214 HydrophobicContact CE1-CB 3.87Å; F187-Q214 HydrophobicContact CE2-CB 3.92Å; F187-Q214 HydrophobicContact CZ-CB 3.62Å; F187-G215 WeakPolarHBondContact CA-O 3.2Å; F187-F488 HydrophobicContact CB-CE1 4.35Å; F187-F488 HydrophobicContact CD1-CD1 4.4Å; F187-F488 AromaticContact CD1-CE1 3.4Å; F187-F488 HydrophobicContact CD1-CE1 3.4Å; F187-F488 AromaticContact CD1-CZ 3.51Å; F187-F488 HydrophobicContact CD1-CZ 3.51Å; F187-F488 AromaticContact CE1-CE1 3.88Å; F187-F488 HydrophobicContact CE1-CE1 3.88Å; F187-F488 AromaticContact CE1-CZ 3.95Å; F187-F488 HydrophobicContact CE1-CZ 3.95Å; F187-F488 HydrophobicContact CG-CE1 4.1Å; F187-L489 HydrophobicContact CB-CD2 4.33Å; F187-L489 HydrophobicContact CD1-CD2 4.07Å; F187-L489 HydrophobicContact CD2-CD2 3.43Å; F187-L489 VanDerWaalsContact CD2-CD2 3.43Å; F187-L489 HydrophobicContact CE1-CD2 4.17Å; F187-L489 HydrophobicContact CE2-CD2 3.55Å; F187-L489 HydrophobicContact CG-CD2 3.69Å; F187-L489 HydrophobicContact CZ-CD2 3.91Å
188	L	99	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.4	178.8	-55.8	174.1	0	0	0	108.5	L94 L171 L186 I198 L201 A202 V205 L213 G215 L216 A217	L94-L188 HydrophobicContact CB-CD2 4.03Å; L94-L188 HydrophobicContact CD2-CD2 3.82Å; L171-L188 HydrophobicContact CD2-CD2 4.05Å; L186-L188 HydrophobicContact CD1-CD2 4.08Å; L186-L188 HydrophobicContact CD2-CD2 4.28Å; L186-L188 HydrophobicContact CG-CD2 4.21Å; L188-I198 HydrophobicContact CB-CD1 4.17Å; L188-I198 HydrophobicContact CB-CG2 3.99Å; L188-I198 WeakPolarHBondContact O-CG2 3.42Å; L188-L201 HydrophobicContact CD1-CD2 4.47Å; L188-L201 HydrophobicContact CD1-CG 4.23Å; L188-L201 HydrophobicContact CD2-CD2 4.22Å; L188-A202 HydrophobicContact CD1-CB 3.76Å; L188-V205 HydrophobicContact CD1-CB 4.27Å; L188-V205 HydrophobicContact CD1-CG2 4.1Å; L188-L213 HydrophobicContact CD1-CD1 3.79Å; L188-L213 HydrophobicContact CG-CD1 3.78Å; L188-G215 PolarHBondContact N-O 3.03Å; L188-G215 VanDerWaalsContact N-O 3.13Å; L188-L216 HydrophobicContact CB-CB 4.36Å; L188-L216 CarbonylContact O-C 3.59Å; L188-L216 WeakPolarHBondContact O-CA 3.49Å; L188-L216 WeakPolarHBondContact O-CB 3.32Å; L188-A217 PolarHBondContact O-N 2.95Å; L188-A217 VanDerWaalsContact O-N 3.1Å
189	T	99	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.6	-175.7	66.4	0	0	0	0	112.5	V93 L94 W95 L96 I198 A217 F488	V93-T189 HydrophobicContact CG1-CG2 3.94Å; V93-T189 VanDerWaalsContact CG1-OG1 3.3Å; V93-T189 WeakPolarHBondContact CG1-OG1 3.45Å; L94-T189 CarbonylContact O-C 3.59Å; L94-T189 WeakPolarHBondContact O-CA 3.49Å; L94-T189 PolarHBondContact O-N 2.84Å; L94-T189 PolarHBondContact O-OG1 3.16Å; W95-T189 CarbonylContact C-O 3.51Å; W95-T189 WeakPolarHBondContact CA-O 3.42Å; L96-T189 PolarHBondContact N-O 3.5Å; T189-I198 VanDerWaalsContact O-CD1 3.22Å; T189-I198 WeakPolarHBondContact O-CD1 3.28Å; T189-A217 WeakPolarHBondContact CA-O 3.42Å; T189-A217 WeakPolarHBondContact CB-O 3.3Å; T189-A217 HydrophobicContact CG2-CB 3.83Å; T189-F488 HydrophobicContact CG2-CE1 4.47Å
190	G	98.9	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	175.6	178.7	0	0	0	0	0	113.6	L96 A217 V218 G219	L96-G190 CarbonylContact O-C 3.59Å; L96-G190 WeakPolarHBondContact O-CA 3.22Å; G190-A217 PolarHBondContact N-O 2.6Å; G190-V218 WeakPolarHBondContact O-CA 3.37Å; G190-G219 PolarHBondContact O-N 2.86Å
191	E	98.9	Very high	98.7	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.014	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156	-175.1	-164.9	169.9	100.1	0	0	113.8	W95 L96 G98 Y193 A194 G219 N220 H471 M472	W95-E191 HydrophobicContact CH2-CB 3.87Å; W95-E191 HydrophobicContact CZ2-CB 3.84Å; L96-E191 PolarHBondContact O-N 3.47Å; G98-E191 PolarHBondContact N-O 3.47Å; E191-Y193 PolarHBondContact O-N 3.38Å; E191-A194 WeakPolarHBondContact O-CB 3.48Å; E191-A194 PolarHBondContact O-N 2.79Å; E191-G219 CarbonylContact C-O 3.59Å; E191-G219 VanDerWaalsContact CA-O 3.28Å; E191-G219 WeakPolarHBondContact CA-O 3.14Å; E191-G219 WeakPolarHBondContact CG-O 3.34Å; E191-N220 HydrophobicContact CG-CB 4.46Å; E191-H471 IonicContact OE1-CD2 3.57Å; E191-M472 VanDerWaalsContact OE1-CA 3.26Å; E191-M472 WeakPolarHBondContact OE1-CA 3.48Å; E191-M472 WeakPolarHBondContact OE1-CG 3.17Å; E191-M472 PolarHBondContact OE1-N 3.1Å
192	S	98.8	Very high	98.8	Very high	11 Å²	11	17.6 Å²	17.6	8%	0.077	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	-123.2	165.8	-166.8	0	0	0	0	112.5	A194 G195 G219 N220 L222 H471	S192-A194 PolarHBondContact O-N 2.92Å; S192-A194 VanDerWaalsContact O-N 3.13Å; S192-G195 PolarHBondContact O-N 3.33Å; S192-G219 PolarHBondContact N-O 3.02Å; S192-N220 WeakPolarHBondContact CA-O 3.48Å; S192-N220 PolarHBondContact N-O 2.73Å; S192-L222 PolarHBondContact O-N 3.4Å; S192-H471 WeakPolarHBondContact CB-NE2 3.19Å; S192-H471 PolarHBondContact OG-CE1 3.25Å; S192-H471 PolarHBondContact OG-NE2 2.64Å
193	Y	98.9	Very high	98.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.7	172.5	-158.1	-85.8	0	0	0	113.1	P100 D160 E191 G195 I196 Y197 L222 Y225 Y384 R386	P100-Y193 HydrophobicContact CB-CD1 3.87Å; P100-Y193 HydrophobicContact CB-CD2 4.48Å; P100-Y193 HydrophobicContact CB-CE1 4.06Å; P100-Y193 HydrophobicContact CB-CG 4.12Å; P100-Y193 HydrophobicContact CG-CD1 4.49Å; P100-Y193 HydrophobicContact CG-CD2 4.3Å; P100-Y193 HydrophobicContact CG-CE1 4.48Å; P100-Y193 HydrophobicContact CG-CE2 4.24Å; P100-Y193 HydrophobicContact CG-CG 4.42Å; D160-Y193 PolarHBondContact OD1-OH 3.01Å; E191-Y193 PolarHBondContact O-N 3.38Å; Y193-G195 PolarHBondContact O-N 3.13Å; Y193-G195 VanDerWaalsContact O-N 3.16Å; Y193-I196 HydrophobicContact CD1-CB 4.15Å; Y193-I196 HydrophobicContact CD1-CG1 4.36Å; Y193-I196 HydrophobicContact CD2-CG1 4.46Å; Y193-I196 HydrophobicContact CE1-CB 3.79Å; Y193-I196 HydrophobicContact CE1-CG1 4Å; Y193-I196 HydrophobicContact CE1-CG2 4.06Å; Y193-I196 HydrophobicContact CE2-CG1 4.15Å; Y193-I196 WeakPolarHBondContact O-CB 3.45Å; Y193-I196 PolarHBondContact O-N 2.94Å; Y193-Y197 HydrophobicContact CD1-CD1 4.03Å; Y193-Y197 HydrophobicContact CD1-CD2 4.49Å; Y193-Y197 AromaticContact CD1-CE1 3.5Å; Y193-Y197 HydrophobicContact CD1-CE1 3.5Å; Y193-Y197 HydrophobicContact CD1-CE2 4.01Å; Y193-Y197 AromaticContact CD1-CZ 3.5Å; Y193-Y197 HydrophobicContact CE1-CD1 4.14Å; Y193-Y197 AromaticContact CE1-CE1 3.61Å; Y193-Y197 HydrophobicContact CE1-CE1 3.61Å; Y193-Y197 PolarHBondContact O-N 3.49Å; Y193-L222 HydrophobicContact CD2-CD2 3.72Å; Y193-L222 HydrophobicContact CE2-CD2 3.91Å; Y193-Y225 WeakPolarHBondContact CE2-OH 3.09Å; Y193-Y384 AromaticContact CE1-CE1 3.98Å; Y193-Y384 HydrophobicContact CE1-CE1 3.98Å; Y193-Y384 AromaticContact CZ-CE1 3.86Å; Y193-Y384 WeakPolarHBondContact OH-CE1 3.41Å; Y193-R386 HydrophobicContact CE2-CG 4.26Å; Y193-R386 WeakPolarHBondContact OH-CG 3.39Å
194	A	98.9	Very high	98.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.1	-14.2	168	0	0	0	0	0	113	L96 E191 S192 I196 Y197 I198	L96-A194 HydrophobicContact CB-CB 4.05Å; L96-A194 WeakPolarHBondContact O-CB 3.47Å; E191-A194 WeakPolarHBondContact O-CB 3.48Å; E191-A194 PolarHBondContact O-N 2.79Å; S192-A194 PolarHBondContact O-N 2.92Å; S192-A194 VanDerWaalsContact O-N 3.13Å; A194-I196 PolarHBondContact O-N 2.8Å; A194-Y197 HydrophobicContact CB-CD2 3.98Å; A194-Y197 PolarHBondContact O-N 3.47Å; A194-Y197 VanDerWaalsContact O-N 3.13Å; A194-I198 HydrophobicContact CB-CG1 4.12Å; A194-I198 WeakPolarHBondContact O-CB 3.39Å; A194-I198 WeakPolarHBondContact O-CG1 3.35Å; A194-I198 PolarHBondContact O-N 3.1Å
195	G	98.8	Very high	98.9	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.8	-21.3	162.5	0	0	0	0	0	114.3	S192 Y193 P199 M391	S192-G195 PolarHBondContact O-N 3.33Å; Y193-G195 PolarHBondContact O-N 3.13Å; Y193-G195 VanDerWaalsContact O-N 3.16Å; G195-P199 WeakPolarHBondContact O-CD 3.34Å; G195-P199 VanDerWaalsContact O-CG 3.28Å; G195-P199 WeakPolarHBondContact O-CG 3.36Å; G195-M391 VanDerWaalsContact O-CG 3.29Å; G195-M391 WeakPolarHBondContact O-CG 3.5Å
196	I	98.9	Very high	98.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-90.1	-45.5	166.3	-55.1	-67.7	0	0	0	111.1	D160 Y193 A194 T200 L222 Y225 M391	D160-I196 HydrophobicContact CB-CG2 4.23Å; Y193-I196 HydrophobicContact CD1-CB 4.15Å; Y193-I196 HydrophobicContact CD1-CG1 4.36Å; Y193-I196 HydrophobicContact CD2-CG1 4.46Å; Y193-I196 HydrophobicContact CE1-CB 3.79Å; Y193-I196 HydrophobicContact CE1-CG1 4Å; Y193-I196 HydrophobicContact CE1-CG2 4.06Å; Y193-I196 HydrophobicContact CE2-CG1 4.15Å; Y193-I196 WeakPolarHBondContact O-CB 3.45Å; Y193-I196 PolarHBondContact O-N 2.94Å; A194-I196 PolarHBondContact O-N 2.8Å; I196-T200 WeakPolarHBondContact O-CB 3.35Å; I196-T200 WeakPolarHBondContact O-CG2 3.47Å; I196-T200 PolarHBondContact O-N 3.27Å; I196-T200 PolarHBondContact O-OG1 3Å; I196-L222 WeakPolarHBondContact CD1-O 3.14Å; I196-L222 HydrophobicContact CG1-CB 4.45Å; I196-Y225 HydrophobicContact CD1-CE2 4.45Å; I196-M391 HydrophobicContact CD1-CE 3.81Å; I196-M391 HydrophobicContact CD1-CG 4.05Å; I196-M391 HydrophobicContact CD1-SD 4.24Å; I196-M391 HydrophobicContact CG2-CE 4.11Å; I196-M391 HydrophobicContact CG2-SD 4.39Å
197	Y	98.9	Very high	98.9	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-63	-46	-175.5	-56.9	-36.8	0	0	0	113.1	P100 V163 Y193 A194 T200 L201 Y384	P100-Y197 VanDerWaalsContact CA-OH 3.32Å; P100-Y197 WeakPolarHBondContact CA-OH 3.32Å; P100-Y197 WeakPolarHBondContact CB-OH 3.41Å; V163-Y197 HydrophobicContact CB-CE1 4.44Å; V163-Y197 HydrophobicContact CG1-CD1 3.92Å; V163-Y197 HydrophobicContact CG1-CE1 3.81Å; Y193-Y197 HydrophobicContact CD1-CD1 4.03Å; Y193-Y197 HydrophobicContact CD1-CD2 4.49Å; Y193-Y197 AromaticContact CD1-CE1 3.5Å; Y193-Y197 HydrophobicContact CD1-CE1 3.5Å; Y193-Y197 HydrophobicContact CD1-CE2 4.01Å; Y193-Y197 AromaticContact CD1-CZ 3.5Å; Y193-Y197 HydrophobicContact CE1-CD1 4.14Å; Y193-Y197 AromaticContact CE1-CE1 3.61Å; Y193-Y197 HydrophobicContact CE1-CE1 3.61Å; Y193-Y197 PolarHBondContact O-N 3.49Å; A194-Y197 HydrophobicContact CB-CD2 3.98Å; A194-Y197 PolarHBondContact O-N 3.47Å; A194-Y197 VanDerWaalsContact O-N 3.13Å; Y197-T200 PolarHBondContact O-N 3.24Å; Y197-T200 PolarHBondContact O-OG1 3.22Å; Y197-L201 WeakPolarHBondContact O-CB 3.49Å; Y197-L201 PolarHBondContact O-N 3.08Å; Y197-Y384 HydrophobicContact CE1-CE2 4.42Å
198	I	98.9	Very high	98.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-69.1	-47.6	-172.2	-64.6	-64.7	0	0	0	112	L96 L188 T189 A194 T200 L201 A202 L216 V218	L96-I198 HydrophobicContact CB-CD1 4.36Å; L96-I198 HydrophobicContact CD1-CD1 3.81Å; L96-I198 HydrophobicContact CG-CD1 4.17Å; L188-I198 HydrophobicContact CB-CD1 4.17Å; L188-I198 HydrophobicContact CB-CG2 3.99Å; L188-I198 WeakPolarHBondContact O-CG2 3.42Å; T189-I198 VanDerWaalsContact O-CD1 3.22Å; T189-I198 WeakPolarHBondContact O-CD1 3.28Å; A194-I198 HydrophobicContact CB-CG1 4.12Å; A194-I198 WeakPolarHBondContact O-CB 3.39Å; A194-I198 WeakPolarHBondContact O-CG1 3.35Å; A194-I198 PolarHBondContact O-N 3.1Å; I198-T200 PolarHBondContact O-N 2.78Å; I198-L201 PolarHBondContact O-N 3.11Å; I198-A202 WeakPolarHBondContact O-CB 3.36Å; I198-A202 PolarHBondContact O-N 3.01Å; I198-L216 HydrophobicContact CG2-CB 3.76Å; I198-L216 HydrophobicContact CG2-CD1 3.94Å; I198-V218 HydrophobicContact CB-CG2 4.08Å; I198-V218 HydrophobicContact CG2-CG2 4.04Å
199	P	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.9	-31.2	177	-21.4	35.6	0	0	0	113.3	G195 V203 M391 Q394 Y395	G195-P199 WeakPolarHBondContact O-CD 3.34Å; G195-P199 VanDerWaalsContact O-CG 3.28Å; G195-P199 WeakPolarHBondContact O-CG 3.36Å; P199-V203 WeakPolarHBondContact O-CB 3.44Å; P199-V203 VanDerWaalsContact O-CG2 3.27Å; P199-V203 WeakPolarHBondContact O-CG2 3.41Å; P199-V203 PolarHBondContact O-N 3.49Å; P199-V203 VanDerWaalsContact O-N 3.16Å; P199-M391 HydrophobicContact CB-CB 4.34Å; P199-M391 HydrophobicContact CB-CG 4.32Å; P199-M391 HydrophobicContact CB-SD 3.92Å; P199-M391 HydrophobicContact CG-CB 4.35Å; P199-M391 HydrophobicContact CG-CG 4.14Å; P199-M391 HydrophobicContact CG-SD 4.19Å; P199-Q394 HydrophobicContact CB-CB 3.72Å; P199-Q394 HydrophobicContact CB-CG 4.37Å; P199-Y395 HydrophobicContact CB-CD2 4.26Å; P199-Y395 HydrophobicContact CB-CE2 3.98Å; P199-Y395 HydrophobicContact CG-CD2 4.19Å; P199-Y395 HydrophobicContact CG-CE1 4.4Å; P199-Y395 HydrophobicContact CG-CE2 3.42Å; P199-Y395 VanDerWaalsContact CG-CE2 3.42Å
200	T	98.9	Very high	98.7	Very high	6 Å²	6	23.4 Å²	23.4	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-72.3	-42.6	175.8	52.3	0	0	0	0	112	I196 Y197 I198 V203 L204 Y388 M391 Q394	I196-T200 WeakPolarHBondContact O-CB 3.35Å; I196-T200 WeakPolarHBondContact O-CG2 3.47Å; I196-T200 PolarHBondContact O-N 3.27Å; I196-T200 PolarHBondContact O-OG1 3Å; Y197-T200 PolarHBondContact O-N 3.24Å; Y197-T200 PolarHBondContact O-OG1 3.22Å; I198-T200 PolarHBondContact O-N 2.78Å; T200-V203 PolarHBondContact O-N 2.91Å; T200-L204 PolarHBondContact O-N 2.62Å; T200-Y388 HydrophobicContact CG2-CD2 3.91Å; T200-Y388 HydrophobicContact CG2-CE2 3.62Å; T200-M391 HydrophobicContact CG2-CE 4.15Å; T200-M391 HydrophobicContact CG2-SD 3.96Å; T200-Q394 HydrophobicContact CG2-CG 4.18Å
201	L	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-47.2	171.6	176.6	59.6	0	0	0	111.9	L94 N167 F168 L188 Y197 I198 V203 L204 V205	L94-L201 HydrophobicContact CD2-CD2 3.46Å; L94-L201 VanDerWaalsContact CD2-CD2 3.46Å; N167-L201 HydrophobicContact CB-CD1 4.04Å; N167-L201 HydrophobicContact CB-CD2 4.13Å; F168-L201 HydrophobicContact CB-CD1 3.78Å; L188-L201 HydrophobicContact CD1-CD2 4.47Å; L188-L201 HydrophobicContact CD1-CG 4.23Å; L188-L201 HydrophobicContact CD2-CD2 4.22Å; Y197-L201 WeakPolarHBondContact O-CB 3.49Å; Y197-L201 PolarHBondContact O-N 3.08Å; I198-L201 PolarHBondContact O-N 3.11Å; L201-V203 PolarHBondContact O-N 2.99Å; L201-L204 WeakPolarHBondContact O-CA 3.31Å; L201-L204 WeakPolarHBondContact O-CB 3.09Å; L201-L204 PolarHBondContact O-N 3.08Å; L201-V205 HydrophobicContact CD1-CG2 3.96Å; L201-V205 HydrophobicContact CG-CG2 4.13Å; L201-V205 WeakPolarHBondContact O-CG2 3.43Å; L201-V205 PolarHBondContact O-N 3.45Å
202	A	98.9	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.4	-33.8	178.7	0	0	0	0	0	112.2	L188 I198 L204 V205 M206 L216 L398	L188-A202 HydrophobicContact CD1-CB 3.76Å; I198-A202 WeakPolarHBondContact O-CB 3.36Å; I198-A202 PolarHBondContact O-N 3.01Å; A202-L204 VanDerWaalsContact C-N 3.28Å; A202-L204 PolarHBondContact O-N 3.36Å; A202-V205 PolarHBondContact O-N 2.78Å; A202-M206 WeakPolarHBondContact O-CB 3.23Å; A202-M206 WeakPolarHBondContact O-CG 3.29Å; A202-M206 PolarHBondContact O-N 2.97Å; A202-L216 HydrophobicContact CB-CD2 4.28Å; A202-L398 HydrophobicContact CB-CD1 3.82Å; A202-L398 HydrophobicContact CB-CD2 3.79Å; A202-L398 HydrophobicContact CB-CG 4.46Å
203	V	98.9	Very high	98.6	Very high	21 Å²	21	26.5 Å²	26.5	13%	0.127	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-24.3	174.1	160.5	0	0	0	0	113.2	P199 T200 L201 M206 Q207 Q394 K397 L398	P199-V203 WeakPolarHBondContact O-CB 3.44Å; P199-V203 VanDerWaalsContact O-CG2 3.27Å; P199-V203 WeakPolarHBondContact O-CG2 3.41Å; P199-V203 PolarHBondContact O-N 3.49Å; P199-V203 VanDerWaalsContact O-N 3.16Å; T200-V203 PolarHBondContact O-N 2.91Å; L201-V203 PolarHBondContact O-N 2.99Å; V203-M206 HydrophobicContact CG2-SD 4.42Å; V203-M206 WeakPolarHBondContact O-CG 3.44Å; V203-Q207 PolarHBondContact O-NE2 2.7Å; V203-Q394 HydrophobicContact CG2-CB 4Å; V203-Q394 HydrophobicContact CG2-CG 4.13Å; V203-K397 HydrophobicContact CG1-CD 3.99Å; V203-K397 HydrophobicContact CG2-CD 4.22Å; V203-L398 HydrophobicContact CG2-CD1 4.38Å; V203-L398 HydrophobicContact CG2-CG 4.17Å
204	L	98.9	Very high	98.6	Very high	41 Å²	41	28.7 Å²	28.7	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-82.6	-50.6	169.8	-60.6	176.9	0	0	0	110.6	A164 Q165 F168 T200 L201 A202 M206 Q207	A164-L204 HydrophobicContact CB-CD1 4.1Å; A164-L204 WeakPolarHBondContact O-CD1 3.33Å; Q165-L204 HydrophobicContact CB-CD1 4.47Å; F168-L204 HydrophobicContact CB-CB 4.18Å; F168-L204 HydrophobicContact CB-CD1 3.83Å; F168-L204 HydrophobicContact CD2-CB 3.87Å; F168-L204 HydrophobicContact CE2-CB 4.46Å; F168-L204 HydrophobicContact CG-CB 3.95Å; F168-L204 HydrophobicContact CG-CD1 4.29Å; T200-L204 PolarHBondContact O-N 2.62Å; L201-L204 WeakPolarHBondContact O-CA 3.31Å; L201-L204 WeakPolarHBondContact O-CB 3.09Å; L201-L204 PolarHBondContact O-N 3.08Å; A202-L204 VanDerWaalsContact C-N 3.28Å; A202-L204 PolarHBondContact O-N 3.36Å; L204-M206 VanDerWaalsContact C-N 3.28Å; L204-M206 PolarHBondContact O-N 2.65Å; L204-Q207 WeakPolarHBondContact O-CB 3.18Å; L204-Q207 PolarHBondContact O-N 3.15Å
205	V	98.9	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.5	-38.6	179.9	175.4	0	0	0	0	112.2	F168 L171 L186 L188 L201 A202 Q207 D208 M211 L213	F168-V205 HydrophobicContact CD2-CG2 3.92Å; F168-V205 HydrophobicContact CE2-CG2 4.4Å; L171-V205 HydrophobicContact CD2-CG2 4.02Å; L186-V205 HydrophobicContact CD2-CG1 3.9Å; L188-V205 HydrophobicContact CD1-CB 4.27Å; L188-V205 HydrophobicContact CD1-CG2 4.1Å; L201-V205 HydrophobicContact CD1-CG2 3.96Å; L201-V205 HydrophobicContact CG-CG2 4.13Å; L201-V205 WeakPolarHBondContact O-CG2 3.43Å; L201-V205 PolarHBondContact O-N 3.45Å; A202-V205 PolarHBondContact O-N 2.78Å; V205-Q207 PolarHBondContact O-N 2.92Å; V205-D208 PolarHBondContact O-N 2.9Å; V205-M211 HydrophobicContact CB-SD 4.35Å; V205-M211 HydrophobicContact CG1-CB 3.87Å; V205-M211 HydrophobicContact CG1-CG 4.47Å; V205-M211 HydrophobicContact CG1-SD 3.78Å; V205-M211 HydrophobicContact CG2-SD 3.93Å; V205-L213 HydrophobicContact CB-CD2 4.3Å; V205-L213 HydrophobicContact CG1-CB 3.86Å; V205-L213 HydrophobicContact CG1-CD1 4.29Å; V205-L213 HydrophobicContact CG1-CD2 3.91Å; V205-L213 HydrophobicContact CG1-CG 4.24Å
206	M	98.6	Very high	98.6	Very high	45 Å²	45	28.7 Å²	28.7	22%	0.222	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.7	176.5	73	173.9	-62.4	0	0	114.7	A202 V203 L204 L213 K397 L398 Y404	A202-M206 WeakPolarHBondContact O-CB 3.23Å; A202-M206 WeakPolarHBondContact O-CG 3.29Å; A202-M206 PolarHBondContact O-N 2.97Å; V203-M206 HydrophobicContact CG2-SD 4.42Å; V203-M206 WeakPolarHBondContact O-CG 3.44Å; L204-M206 VanDerWaalsContact C-N 3.28Å; L204-M206 PolarHBondContact O-N 2.65Å; M206-L213 HydrophobicContact CB-CD2 4.42Å; M206-K397 HydrophobicContact CE-CG 4.34Å; M206-K397 HydrophobicContact SD-CD 4.21Å; M206-K397 HydrophobicContact SD-CG 3.99Å; M206-L398 HydrophobicContact CB-CD2 4.33Å; M206-L398 HydrophobicContact CG-CD2 4.43Å; M206-L398 HydrophobicContact SD-CD2 3.82Å; M206-L398 HydrophobicContact SD-CG 4.45Å; M206-Y404 HydrophobicContact CB-CE2 3.92Å; M206-Y404 WeakPolarHBondContact CB-OH 3.26Å; M206-Y404 HydrophobicContact CE-CE2 4.33Å
207	Q	98.4	Very high	98.6	Very high	121 Å²	121	28.8 Å²	28.8	57%	0.565	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-13	177.5	-60	177.4	71	0	0	112.3	V203 L204 V205 P209	V203-Q207 PolarHBondContact O-NE2 2.7Å; L204-Q207 WeakPolarHBondContact O-CB 3.18Å; L204-Q207 PolarHBondContact O-N 3.15Å; V205-Q207 PolarHBondContact O-N 2.92Å; Q207-P209 WeakPolarHBondContact O-CD 3.41Å
208	D	98.3	Very high	98.6	Very high	27 Å²	27	28.8 Å²	28.8	14%	0.144	16%	0.162	C	C	.	.			trans	-97.8	103.6	176	-168.1	-28.1	0	0	0	110	F168 Q172 V205 S210 M211	F168-D208 HydrophobicContact CE2-CB 3.9Å; F168-D208 HydrophobicContact CZ-CB 3.91Å; Q172-D208 PolarHBondContact NE2-OD2 3.03Å; V205-D208 PolarHBondContact O-N 2.9Å; D208-S210 PolarHBondContact O-N 3.19Å; D208-S210 VanDerWaalsContact O-N 3.15Å; D208-S210 VanDerWaalsContact OD1-CB 3.29Å; D208-S210 WeakPolarHBondContact OD1-CB 3.49Å; D208-S210 PolarHBondContact OD1-N 3.12Å; D208-S210 PolarHBondContact OD1-OG 3.03Å; D208-M211 HydrophobicContact CB-CG 4.48Å; D208-M211 PolarHBondContact O-N 2.9Å
209	P	97	Very high	98.6	Very high	132 Å²	132	28.8 Å²	28.8	86%	0.857	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.4	-178.2	32	-36.9	0	0	0	113.5	Q207	Q207-P209 WeakPolarHBondContact O-CD 3.41Å
210	S	97.6	Very high	98.6	Very high	82 Å²	82	28.8 Å²	28.8	57%	0.573	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.7	174.2	74.9	0	0	0	0	113	D208	D208-S210 PolarHBondContact O-N 3.19Å; D208-S210 VanDerWaalsContact O-N 3.15Å; D208-S210 VanDerWaalsContact OD1-CB 3.29Å; D208-S210 WeakPolarHBondContact OD1-CB 3.49Å; D208-S210 PolarHBondContact OD1-N 3.12Å; D208-S210 PolarHBondContact OD1-OG 3.03Å
211	M	98.4	Very high	98.6	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.059	16%	0.161	C	C	.	.	S	Bend	trans	-94.7	118.6	176.4	-63.7	-167.6	-171	0	0	111.1	F168 L171 Q172 F175 L186 V205 D208 L213	F168-M211 HydrophobicContact CD2-CE 4.25Å; F168-M211 HydrophobicContact CE2-CE 3.88Å; F168-M211 HydrophobicContact CE2-SD 4.29Å; L171-M211 HydrophobicContact CB-CE 4.22Å; L171-M211 HydrophobicContact CD2-CE 4.36Å; L171-M211 HydrophobicContact CD2-SD 3.78Å; L171-M211 HydrophobicContact CG-CE 4.07Å; L171-M211 HydrophobicContact CG-SD 4.04Å; Q172-M211 HydrophobicContact CB-CE 4.22Å; Q172-M211 HydrophobicContact CG-CE 3.34Å; F175-M211 HydrophobicContact CD2-CE 4.21Å; F175-M211 HydrophobicContact CD2-CG 4.16Å; F175-M211 HydrophobicContact CD2-SD 4.37Å; F175-M211 HydrophobicContact CE2-CG 4.01Å; F175-M211 HydrophobicContact CE2-SD 4.12Å; L186-M211 HydrophobicContact CD2-CB 4.11Å; L186-M211 HydrophobicContact CD2-SD 4.3Å; V205-M211 HydrophobicContact CB-SD 4.35Å; V205-M211 HydrophobicContact CG1-CB 3.87Å; V205-M211 HydrophobicContact CG1-CG 4.47Å; V205-M211 HydrophobicContact CG1-SD 3.78Å; V205-M211 HydrophobicContact CG2-SD 3.93Å; D208-M211 HydrophobicContact CB-CG 4.48Å; D208-M211 PolarHBondContact O-N 2.9Å; M211-L213 PolarHBondContact O-N 2.64Å
212	N	98.6	Very high	98.6	Very high	56 Å²	56	28.7 Å²	28.7	30%	0.299	16%	0.162	S	C	.	.			trans	-78.1	59.7	-178.6	-173.7	11.2	0	0	0	112.9	N183 L186 Q214	N183-N212 PolarHBondContact O-ND2 3.16Å; L186-N212 PolarHBondContact N-O 3.37Å; N212-Q214 PolarHBondContact O-N 2.93Å; N212-Q214 PolarHBondContact OD1-NE2 3.41Å
213	L	98.9	Very high	98.6	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.058	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.5	180	-178.2	65.6	0	0	0	111.8	L186 L188 V205 M206 M211 Y404	L186-L213 HydrophobicContact CD2-CD1 4.49Å; L186-L213 HydrophobicContact CG-CD1 4.39Å; L188-L213 HydrophobicContact CD1-CD1 3.79Å; L188-L213 HydrophobicContact CG-CD1 3.78Å; V205-L213 HydrophobicContact CB-CD2 4.3Å; V205-L213 HydrophobicContact CG1-CB 3.86Å; V205-L213 HydrophobicContact CG1-CD1 4.29Å; V205-L213 HydrophobicContact CG1-CD2 3.91Å; V205-L213 HydrophobicContact CG1-CG 4.24Å; M206-L213 HydrophobicContact CB-CD2 4.42Å; M211-L213 PolarHBondContact O-N 2.64Å; L213-Y404 HydrophobicContact CB-CD1 4.41Å; L213-Y404 HydrophobicContact CB-CE1 4.01Å; L213-Y404 HydrophobicContact CD2-CD1 4.02Å; L213-Y404 HydrophobicContact CD2-CE1 3.82Å; L213-Y404 HydrophobicContact CD2-CG 4.48Å; L213-Y404 HydrophobicContact CG-CD1 3.85Å; L213-Y404 HydrophobicContact CG-CE1 3.84Å; L213-Y404 WeakPolarHBondContact O-CD1 3.09Å; L213-Y404 VanDerWaalsContact O-CE1 3.31Å; L213-Y404 WeakPolarHBondContact O-CE1 3.23Å
214	Q	98.8	Very high	98.6	Very high	47 Å²	47	28.1 Å²	28.1	22%	0.22	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-19.6	-178.7	-68.3	-61.8	-51.3	0	0	113.9	K185 L186 F187 N212 Q405	K185-Q214 HydrophobicContact CB-CB 4.44Å; K185-Q214 HydrophobicContact CB-CG 3.72Å; K185-Q214 HydrophobicContact CD-CG 4.26Å; K185-Q214 HydrophobicContact CG-CG 3.8Å; L186-Q214 PolarHBondContact O-N 2.88Å; F187-Q214 HydrophobicContact CD1-CB 4.39Å; F187-Q214 HydrophobicContact CD2-CB 4.45Å; F187-Q214 HydrophobicContact CE1-CB 3.87Å; F187-Q214 HydrophobicContact CE2-CB 3.92Å; F187-Q214 HydrophobicContact CZ-CB 3.62Å; N212-Q214 PolarHBondContact O-N 2.93Å; N212-Q214 PolarHBondContact OD1-NE2 3.41Å; Q214-Q405 PolarHBondContact O-N 3.14Å
215	G	98.8	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	177.5	-179.1	0	0	0	0	0	114.9	F187 L188 Q405	F187-G215 WeakPolarHBondContact CA-O 3.2Å; L188-G215 PolarHBondContact N-O 3.03Å; L188-G215 VanDerWaalsContact N-O 3.13Å; G215-Q405 CarbonylContact C-O 3.48Å; G215-Q405 WeakPolarHBondContact CA-O 3.47Å
216	L	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.3	172.2	55	144.8	0	0	0	111.4	L188 I198 A202 Y395 L398 Q405 I406 L407 F488	L188-L216 HydrophobicContact CB-CB 4.36Å; L188-L216 CarbonylContact O-C 3.59Å; L188-L216 WeakPolarHBondContact O-CA 3.49Å; L188-L216 WeakPolarHBondContact O-CB 3.32Å; I198-L216 HydrophobicContact CG2-CB 3.76Å; I198-L216 HydrophobicContact CG2-CD1 3.94Å; A202-L216 HydrophobicContact CB-CD2 4.28Å; L216-Y395 HydrophobicContact CD1-CE1 3.87Å; L216-L398 HydrophobicContact CD1-CD1 4.3Å; L216-L398 HydrophobicContact CD2-CD1 4.04Å; L216-Q405 PolarHBondContact N-O 3.39Å; L216-I406 HydrophobicContact CD1-CG2 4.3Å; L216-I406 HydrophobicContact CD2-CD1 4.1Å; L216-I406 HydrophobicContact CD2-CG1 3.86Å; L216-I406 HydrophobicContact CG-CG1 4.17Å; L216-I406 HydrophobicContact CG-CG2 4.19Å; L216-I406 WeakPolarHBondContact O-CA 3.03Å; L216-L407 PolarHBondContact O-N 3.22Å; L216-F488 WeakPolarHBondContact O-CE2 3.37Å; L216-F488 WeakPolarHBondContact O-CZ 3.44Å
217	A	99	Very high	98.6	Very high	2 Å²	2	31 Å²	31	2%	0.017	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.4	174.6	0	0	0	0	0	110.8	L188 T189 G190 L407 Y409 F488	L188-A217 PolarHBondContact O-N 2.95Å; L188-A217 VanDerWaalsContact O-N 3.1Å; T189-A217 WeakPolarHBondContact CA-O 3.42Å; T189-A217 WeakPolarHBondContact CB-O 3.3Å; T189-A217 HydrophobicContact CG2-CB 3.83Å; G190-A217 PolarHBondContact N-O 2.6Å; A217-L407 CarbonylContact C-O 3.56Å; A217-L407 VanDerWaalsContact CA-O 3.25Å; A217-L407 WeakPolarHBondContact CA-O 3.46Å; A217-L407 HydrophobicContact CB-CB 4.02Å; A217-L407 HydrophobicContact CB-CD2 4.29Å; A217-L407 HydrophobicContact CB-CG 4.49Å; A217-Y409 HydrophobicContact CB-CD1 4.46Å; A217-Y409 HydrophobicContact CB-CE1 4.19Å; A217-F488 HydrophobicContact CB-CD1 4.33Å; A217-F488 HydrophobicContact CB-CE1 3.91Å; A217-F488 HydrophobicContact CB-CE2 4.11Å; A217-F488 HydrophobicContact CB-CZ 3.79Å
218	V	98.9	Very high	98.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.4	-179.7	176.8	0	0	0	0	109.8	G190 I198 L407 L408 Y409	G190-V218 WeakPolarHBondContact O-CA 3.37Å; I198-V218 HydrophobicContact CB-CG2 4.08Å; I198-V218 HydrophobicContact CG2-CG2 4.04Å; V218-L407 PolarHBondContact N-O 2.99Å; V218-L408 WeakPolarHBondContact O-CA 3.11Å; V218-Y409 WeakPolarHBondContact O-CD1 3.36Å; V218-Y409 PolarHBondContact O-N 2.83Å
219	G	98.9	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.2	169.7	0	0	0	0	0	111.4	G190 E191 S192 G221 Y409	G190-G219 PolarHBondContact O-N 2.86Å; E191-G219 CarbonylContact C-O 3.59Å; E191-G219 VanDerWaalsContact CA-O 3.28Å; E191-G219 WeakPolarHBondContact CA-O 3.14Å; E191-G219 WeakPolarHBondContact CG-O 3.34Å; S192-G219 PolarHBondContact N-O 3.02Å; G219-G221 VanDerWaalsContact C-N 3.32Å; G219-G221 PolarHBondContact O-N 3.31Å; G219-G221 VanDerWaalsContact O-N 3.09Å; G219-Y409 CarbonylContact C-O 3.55Å; G219-Y409 VanDerWaalsContact CA-O 3.29Å; G219-Y409 WeakPolarHBondContact CA-O 3.36Å
220	N	98.8	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	37.2	60.6	171.1	-76.1	70.9	0	0	0	112.3	E191 S192 Y409 N410 G411 D414 C417 H471 V473	E191-N220 HydrophobicContact CG-CB 4.46Å; S192-N220 WeakPolarHBondContact CA-O 3.48Å; S192-N220 PolarHBondContact N-O 2.73Å; N220-Y409 PolarHBondContact N-O 2.83Å; N220-N410 VanDerWaalsContact OD1-CA 3.27Å; N220-N410 WeakPolarHBondContact OD1-CA 3.24Å; N220-G411 PolarHBondContact ND2-N 2.87Å; N220-G411 PolarHBondContact OD1-N 2.81Å; N220-D414 WeakPolarHBondContact ND2-CB 3.25Å; N220-D414 PolarHBondContact ND2-OD2 2.93Å; N220-C417 HydrophobicContact CB-CB 4.13Å; N220-C417 PolarHBondContact ND2-O 3.42Å; N220-C417 WeakPolarHBondContact O-CB 3.4Å; N220-C417 PolarHBondContact O-SG 3.12Å; N220-H471 PolarHBondContact OD1-O 3.25Å; N220-V473 WeakPolarHBondContact OD1-CG2 3.46Å
221	G	98.7	Very high	98.8	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.021	7%	0.074	C	C	.	.			trans	-91.1	145.5	-158.9	0	0	0	0	0	114.5	G219 S223 D422	G219-G221 VanDerWaalsContact C-N 3.32Å; G219-G221 PolarHBondContact O-N 3.31Å; G219-G221 VanDerWaalsContact O-N 3.09Å; G221-S223 VanDerWaalsContact C-N 3.26Å; G221-S223 PolarHBondContact O-N 3.01Å; G221-D422 PolarHBondContact N-OD2 3.14Å; G221-D422 VanDerWaalsContact N-OD2 3.12Å
222	L	98.8	Very high	98.8	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.01	7%	0.071	C	C	.	.			trans	-81.3	70.5	167.4	-170.5	57.2	0	0	0	111.5	S192 Y193 I196 Y225 N228 N317	S192-L222 PolarHBondContact O-N 3.4Å; Y193-L222 HydrophobicContact CD2-CD2 3.72Å; Y193-L222 HydrophobicContact CE2-CD2 3.91Å; I196-L222 WeakPolarHBondContact CD1-O 3.14Å; I196-L222 HydrophobicContact CG1-CB 4.45Å; L222-Y225 HydrophobicContact CD1-CD1 4.34Å; L222-Y225 HydrophobicContact CD1-CG 4.41Å; L222-Y225 HydrophobicContact CD2-CD1 4.3Å; L222-Y225 HydrophobicContact CD2-CE1 3.71Å; L222-Y225 HydrophobicContact CD2-CE2 4.05Å; L222-Y225 HydrophobicContact CG-CE1 4.5Å; L222-Y225 HydrophobicContact CG-CE2 4.33Å; L222-N228 HydrophobicContact CD1-CB 4.28Å; L222-N317 HydrophobicContact CD2-CB 3.88Å
223	S	98.7	Very high	98.8	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.007	6%	0.057	C	C	.	.	S	Bend	trans	-80.3	-25.8	-176.5	-51.6	0	0	0	0	114.2	G221 S390 M391 L408 D422 F425	G221-S223 VanDerWaalsContact C-N 3.26Å; G221-S223 PolarHBondContact O-N 3.01Å; S223-S390 CarbonylContact O-C 3.51Å; S223-S390 VanDerWaalsContact O-CA 3.25Å; S223-S390 WeakPolarHBondContact O-CA 3.4Å; S223-S390 PolarHBondContact O-OG 2.88Å; S223-S390 VanDerWaalsContact O-OG 3.05Å; S223-M391 PolarHBondContact O-N 2.84Å; S223-L408 WeakPolarHBondContact OG-CD2 3.4Å; S223-D422 WeakPolarHBondContact CB-OD1 3.46Å; S223-D422 PolarHBondContact OG-OD1 3.18Å; S223-F425 VanDerWaalsContact CB-CD1 3.42Å
224	S	98.8	Very high	98.8	Very high	9 Å²	9	13.3 Å²	13.3	6%	0.063	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-159.2	120	174.7	-177.5	0	0	0	0	110.8	E226 Q227 N228	S224-E226 VanDerWaalsContact C-N 3.29Å; S224-E226 PolarHBondContact O-N 2.86Å; S224-Q227 PolarHBondContact O-N 3.29Å; S224-N228 VanDerWaalsContact O-CB 3.23Å; S224-N228 WeakPolarHBondContact O-CB 3.47Å; S224-N228 PolarHBondContact O-N 2.78Å
225	Y	98.7	Very high	98.8	Very high	6 Å²	6	11.1 Å²	11.1	2%	0.024	5%	0.053	C	C	.	.	H	α-helix	trans	-60.3	-40.3	177.9	-70.9	-99.6	0	0	0	111.8	Y193 I196 L222 D229 N317 T320 R386 Y388 R389	Y193-Y225 WeakPolarHBondContact CE2-OH 3.09Å; I196-Y225 HydrophobicContact CD1-CE2 4.45Å; L222-Y225 HydrophobicContact CD1-CD1 4.34Å; L222-Y225 HydrophobicContact CD1-CG 4.41Å; L222-Y225 HydrophobicContact CD2-CD1 4.3Å; L222-Y225 HydrophobicContact CD2-CE1 3.71Å; L222-Y225 HydrophobicContact CD2-CE2 4.05Å; L222-Y225 HydrophobicContact CG-CE1 4.5Å; L222-Y225 HydrophobicContact CG-CE2 4.33Å; Y225-D229 VanDerWaalsContact O-CB 3.28Å; Y225-D229 WeakPolarHBondContact O-CB 3.27Å; Y225-D229 PolarHBondContact O-N 3.45Å; Y225-N317 WeakPolarHBondContact CD1-O 3.39Å; Y225-N317 WeakPolarHBondContact CE1-O 3.49Å; Y225-T320 HydrophobicContact CD1-CG2 4.2Å; Y225-T320 HydrophobicContact CE1-CG2 4.09Å; Y225-R386 VanDerWaalsContact OH-CD 3.29Å; Y225-R386 WeakPolarHBondContact OH-CD 3.2Å; Y225-R386 WeakPolarHBondContact OH-CG 3.33Å; Y225-Y388 WeakPolarHBondContact CE2-O 3.16Å; Y225-R389 WeakPolarHBondContact CD2-O 3.1Å; Y225-R389 PolarHBondContact N-O 3.1Å
226	E	98.8	Very high	98.8	Very high	100 Å²	100	11.1 Å²	11.1	47%	0.467	5%	0.053	S	C	.	.	H	α-helix	trans	-65.5	-42.7	-178.9	179.2	176.4	177.2	0	0	111.9	S224 N230 Y263	S224-E226 VanDerWaalsContact C-N 3.29Å; S224-E226 PolarHBondContact O-N 2.86Å; E226-N230 WeakPolarHBondContact O-CB 3.42Å; E226-N230 PolarHBondContact O-N 3.06Å; E226-N230 PolarHBondContact O-ND2 3.23Å; E226-Y263 HydrophobicContact CB-CD1 3.64Å; E226-Y263 HydrophobicContact CB-CD2 4.23Å; E226-Y263 HydrophobicContact CB-CE1 3.77Å; E226-Y263 HydrophobicContact CB-CE2 4.37Å; E226-Y263 HydrophobicContact CB-CG 3.86Å; E226-Y263 HydrophobicContact CG-CD1 3.61Å; E226-Y263 HydrophobicContact CG-CE1 4.15Å; E226-Y263 HydrophobicContact CG-CG 3.94Å
227	Q	98.8	Very high	98.8	Very high	39 Å²	39	13.5 Å²	13.5	18%	0.182	6%	0.062	C	C	.	.	H	α-helix	trans	-75.8	-36.4	-178.8	-60.2	-173.4	19.4	0	0	111.3	S224 S231 G421 W424 S428	S224-Q227 PolarHBondContact O-N 3.29Å; Q227-S231 WeakPolarHBondContact O-CB 3.36Å; Q227-S231 PolarHBondContact O-N 2.98Å; Q227-S231 PolarHBondContact O-OG 2.76Å; Q227-G421 PolarHBondContact OE1-O 3.24Å; Q227-W424 VanDerWaalsContact OE1-CB 3.31Å; Q227-W424 PolarHBondContact OE1-O 3.07Å; Q227-S428 PolarHBondContact NE2-OG 2.76Å
228	N	98.8	Very high	98.8	Very high	7 Å²	7	21 Å²	21	4%	0.037	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-54.2	172.6	177.3	-96.6	0	0	0	112.4	L222 S224 N230 S231 L232 A416 C417	L222-N228 HydrophobicContact CD1-CB 4.28Å; S224-N228 VanDerWaalsContact O-CB 3.23Å; S224-N228 WeakPolarHBondContact O-CB 3.47Å; S224-N228 PolarHBondContact O-N 2.78Å; N228-N230 VanDerWaalsContact C-N 3.34Å; N228-N230 PolarHBondContact O-N 2.91Å; N228-S231 PolarHBondContact O-N 3.06Å; N228-S231 PolarHBondContact O-OG 3.1Å; N228-L232 VanDerWaalsContact O-CB 3.23Å; N228-L232 WeakPolarHBondContact O-CB 3.41Å; N228-L232 PolarHBondContact O-N 3.09Å; N228-A416 PolarHBondContact ND2-O 3.22Å; N228-C417 WeakPolarHBondContact ND2-CA 3.2Å
229	D	98.7	Very high	98.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.3	-42.1	179.4	-77.7	-13.9	0	0	0	111.1	Y225 Y263 F319	Y225-D229 VanDerWaalsContact O-CB 3.28Å; Y225-D229 WeakPolarHBondContact O-CB 3.27Å; Y225-D229 PolarHBondContact O-N 3.45Å; D229-Y263 HydrophobicContact CB-CD2 4.22Å; D229-Y263 WeakPolarHBondContact OD2-CD2 3.47Å; D229-F319 HydrophobicContact CB-CD1 3.95Å; D229-F319 HydrophobicContact CB-CE1 4.06Å; D229-F319 VanDerWaalsContact CG-N 3.29Å; D229-F319 PolarHBondContact OD1-N 3.28Å; D229-F319 WeakPolarHBondContact OD2-CA 3.44Å; D229-F319 PolarHBondContact OD2-N 3.46Å; D229-F319 VanDerWaalsContact OD2-N 3.16Å
230	N	98.8	Very high	98.7	Very high	16 Å²	16	27 Å²	27	9%	0.086	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-51.2	177.1	-76.6	-43.3	0	0	0	111.9	E226 N228 L232 V233 Y234 F262 W424	E226-N230 WeakPolarHBondContact O-CB 3.42Å; E226-N230 PolarHBondContact O-N 3.06Å; E226-N230 PolarHBondContact O-ND2 3.23Å; N228-N230 VanDerWaalsContact C-N 3.34Å; N228-N230 PolarHBondContact O-N 2.91Å; N230-L232 VanDerWaalsContact C-N 3.29Å; N230-L232 PolarHBondContact O-N 3.45Å; N230-V233 PolarHBondContact O-N 2.78Å; N230-Y234 VanDerWaalsContact O-CD2 3.29Å; N230-Y234 WeakPolarHBondContact O-CD2 3.4Å; N230-F262 WeakPolarHBondContact OD1-CB 3.26Å; N230-F262 PolarHBondContact OD1-N 3.18Å; N230-W424 HydrophobicContact CB-CZ3 4.24Å
231	S	98.8	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-32	-176.7	72.2	0	0	0	0	112.2	Q227 N228 V233 Y234 F235 N418 G421	Q227-S231 WeakPolarHBondContact O-CB 3.36Å; Q227-S231 PolarHBondContact O-N 2.98Å; Q227-S231 PolarHBondContact O-OG 2.76Å; N228-S231 PolarHBondContact O-N 3.06Å; N228-S231 PolarHBondContact O-OG 3.1Å; S231-V233 VanDerWaalsContact C-N 3.34Å; S231-V233 PolarHBondContact O-N 2.49Å; S231-Y234 PolarHBondContact O-N 3.44Å; S231-F235 WeakPolarHBondContact O-CB 3.43Å; S231-F235 PolarHBondContact O-N 3.37Å; S231-N418 WeakPolarHBondContact CB-OD1 3.37Å; S231-N418 VanDerWaalsContact OG-CG 3.22Å; S231-N418 PolarHBondContact OG-ND2 3.35Å; S231-N418 PolarHBondContact OG-OD1 3.16Å; S231-G421 VanDerWaalsContact OG-CA 3.25Å; S231-G421 WeakPolarHBondContact OG-CA 3.37Å; S231-G421 PolarHBondContact OG-N 3.42Å
232	L	98.8	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.7	-40.3	176.9	176.7	53.9	0	0	0	112.6	N228 N230 F235 A236 V281 I318 F319 M415 N418	N228-L232 VanDerWaalsContact O-CB 3.23Å; N228-L232 WeakPolarHBondContact O-CB 3.41Å; N228-L232 PolarHBondContact O-N 3.09Å; N230-L232 VanDerWaalsContact C-N 3.29Å; N230-L232 PolarHBondContact O-N 3.45Å; L232-F235 WeakPolarHBondContact O-CB 3.38Å; L232-F235 PolarHBondContact O-N 3.48Å; L232-A236 WeakPolarHBondContact O-CB 3.45Å; L232-A236 PolarHBondContact O-N 2.95Å; L232-V281 HydrophobicContact CD1-CG1 4.12Å; L232-V281 HydrophobicContact CD1-CG2 4.47Å; L232-V281 HydrophobicContact CD2-CG1 4.37Å; L232-I318 HydrophobicContact CD2-CD1 4.38Å; L232-I318 HydrophobicContact CD2-CG2 3.62Å; L232-F319 HydrophobicContact CD2-CE2 4.25Å; L232-F319 HydrophobicContact CD2-CZ 4.04Å; L232-F319 HydrophobicContact CG-CZ 4.44Å; L232-M415 HydrophobicContact CD1-CB 3.89Å; L232-M415 VanDerWaalsContact CD1-O 3.29Å; L232-M415 WeakPolarHBondContact CD1-O 3.29Å; L232-N418 PolarHBondContact N-ND2 3.26Å
233	V	98.8	Very high	98.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.6	-37.6	179.4	-176.1	0	0	0	0	111.4	N230 S231 Y237 L242 W247 L250 F262 L274 V277 F319	N230-V233 PolarHBondContact O-N 2.78Å; S231-V233 VanDerWaalsContact C-N 3.34Å; S231-V233 PolarHBondContact O-N 2.49Å; V233-Y237 PolarHBondContact O-N 2.94Å; V233-L242 HydrophobicContact CG1-CD1 4.33Å; V233-W247 HydrophobicContact CG1-CZ3 4.32Å; V233-L250 HydrophobicContact CG1-CD1 3.88Å; V233-L250 HydrophobicContact CG1-CD2 4.43Å; V233-F262 HydrophobicContact CB-CB 4.34Å; V233-F262 HydrophobicContact CB-CD1 4.46Å; V233-F262 HydrophobicContact CB-CD2 3.55Å; V233-F262 HydrophobicContact CB-CE2 3.8Å; V233-F262 HydrophobicContact CB-CG 3.89Å; V233-F262 HydrophobicContact CB-CZ 4.35Å; V233-F262 HydrophobicContact CG1-CD1 4.13Å; V233-F262 HydrophobicContact CG1-CD2 3.9Å; V233-F262 HydrophobicContact CG1-CE1 3.99Å; V233-F262 HydrophobicContact CG1-CE2 3.76Å; V233-F262 HydrophobicContact CG1-CG 4.07Å; V233-F262 HydrophobicContact CG1-CZ 3.8Å; V233-F262 HydrophobicContact CG2-CB 3.75Å; V233-F262 HydrophobicContact CG2-CD1 4.44Å; V233-F262 HydrophobicContact CG2-CD2 3.95Å; V233-F262 HydrophobicContact CG2-CG 3.82Å; V233-L274 HydrophobicContact CG1-CD2 4.35Å; V233-L274 HydrophobicContact CG2-CD2 3.68Å; V233-V277 HydrophobicContact CG1-CG2 4.44Å; V233-V277 HydrophobicContact CG2-CG1 4.22Å; V233-F319 HydrophobicContact CG2-CE1 3.93Å; V233-F319 HydrophobicContact CG2-CZ 3.87Å
234	Y	98.8	Very high	98.6	Very high	47 Å²	47	36.4 Å²	36.4	18%	0.184	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-45.7	170.2	-73.7	-80.1	0	0	0	111.4	N230 S231 A236 Y237 Y238 W247 C260 F262 W424	N230-Y234 VanDerWaalsContact O-CD2 3.29Å; N230-Y234 WeakPolarHBondContact O-CD2 3.4Å; S231-Y234 PolarHBondContact O-N 3.44Å; Y234-A236 PolarHBondContact O-N 2.89Å; Y234-Y237 PolarHBondContact O-N 3.03Å; Y234-Y238 HydrophobicContact CD1-CE2 4.09Å; Y234-Y238 VanDerWaalsContact O-CD2 3.25Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.15Å; Y234-Y238 PolarHBondContact O-N 3.48Å; Y234-W247 AromaticContact CD1-CH2 3.51Å; Y234-W247 HydrophobicContact CD1-CH2 3.51Å; Y234-W247 HydrophobicContact CD1-CZ2 4.18Å; Y234-W247 AromaticContact CE1-CH2 3.69Å; Y234-W247 HydrophobicContact CE1-CH2 3.69Å; Y234-W247 HydrophobicContact CE1-CZ2 4.17Å; Y234-W247 HydrophobicContact CG-CH2 4.29Å; Y234-C260 HydrophobicContact CE2-CB 4.35Å; Y234-C260 PolarHBondContact OH-SG 3.46Å; Y234-F262 HydrophobicContact CD2-CE2 4.08Å; Y234-F262 HydrophobicContact CE2-CD2 4.34Å; Y234-F262 AromaticContact CE2-CE2 3.77Å; Y234-F262 HydrophobicContact CE2-CE2 3.77Å; Y234-W424 AromaticContact CD2-CH2 3.86Å; Y234-W424 HydrophobicContact CD2-CH2 3.86Å; Y234-W424 HydrophobicContact CE2-CH2 4.14Å
235	F	98.8	Very high	98.6	Very high	1 Å²	1	47 Å²	47	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-55.2	-52.1	177.4	-173.4	-74.9	0	0	0	110.3	S231 L232 Y237 Y238 H239 L291 M415 N418 F419	S231-F235 WeakPolarHBondContact O-CB 3.43Å; S231-F235 PolarHBondContact O-N 3.37Å; L232-F235 WeakPolarHBondContact O-CB 3.38Å; L232-F235 PolarHBondContact O-N 3.48Å; F235-Y237 VanDerWaalsContact C-N 3.31Å; F235-Y237 PolarHBondContact O-N 3.39Å; F235-Y238 PolarHBondContact O-N 3.49Å; F235-H239 HydrophobicContact CD1-CB 4.42Å; F235-H239 AromaticContact CD1-CE1 3.91Å; F235-H239 AromaticContact CD1-CG 3.95Å; F235-H239 AromaticContact CD1-ND1 3.39Å; F235-H239 WeakPolarHBondContact CD1-ND1 3.31Å; F235-H239 AromaticContact CD2-CE1 3.45Å; F235-H239 VanDerWaalsContact CD2-CE1 3.45Å; F235-H239 WeakPolarHBondContact CD2-CE1 3.37Å; F235-H239 AromaticContact CD2-ND1 3.75Å; F235-H239 HydrophobicContact CE1-CB 4.24Å; F235-H239 AromaticContact CE1-CE1 3.77Å; F235-H239 AromaticContact CE1-CG 3.67Å; F235-H239 AromaticContact CE1-ND1 3.46Å; F235-H239 WeakPolarHBondContact CE1-ND1 3.29Å; F235-H239 AromaticContact CE2-CE1 3.32Å; F235-H239 WeakPolarHBondContact CE2-CE1 3.23Å; F235-H239 AromaticContact CE2-ND1 3.84Å; F235-H239 AromaticContact CE2-NE2 3.81Å; F235-H239 AromaticContact CG-CE1 3.75Å; F235-H239 AromaticContact CG-ND1 3.52Å; F235-H239 AromaticContact CZ-CD2 3.99Å; F235-H239 AromaticContact CZ-CE1 3.48Å; F235-H239 VanDerWaalsContact CZ-CE1 3.48Å; F235-H239 WeakPolarHBondContact CZ-CE1 3.38Å; F235-H239 AromaticContact CZ-CG 4Å; F235-H239 AromaticContact CZ-ND1 3.7Å; F235-H239 AromaticContact CZ-NE2 3.69Å; F235-H239 WeakPolarHBondContact O-CB 3.36Å; F235-H239 PolarHBondContact O-N 3.04Å; F235-H239 PolarHBondContact O-ND1 2.86Å; F235-L291 HydrophobicContact CE1-CD2 4.13Å; F235-M415 HydrophobicContact CD1-CG 3.85Å; F235-M415 HydrophobicContact CD1-SD 4.27Å; F235-M415 HydrophobicContact CE1-CG 3.47Å; F235-M415 VanDerWaalsContact CE1-CG 3.47Å; F235-M415 HydrophobicContact CE1-SD 4.05Å; F235-M415 HydrophobicContact CZ-CG 4.25Å; F235-N418 HydrophobicContact CD2-CB 3.88Å; F235-N418 HydrophobicContact CE2-CB 4.24Å; F235-N418 HydrophobicContact CG-CB 4.38Å; F235-F419 HydrophobicContact CD2-CE1 4.3Å; F235-F419 HydrophobicContact CE2-CD1 4.2Å; F235-F419 HydrophobicContact CE2-CE1 4.05Å
236	A	98.8	Very high	98.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-37.2	-178.6	0	0	0	0	0	113	L232 Y234 L241 L242 V281	L232-A236 WeakPolarHBondContact O-CB 3.45Å; L232-A236 PolarHBondContact O-N 2.95Å; Y234-A236 PolarHBondContact O-N 2.89Å; A236-L241 HydrophobicContact CB-CB 4.37Å; A236-L241 HydrophobicContact CB-CD1 4.09Å; A236-L241 WeakPolarHBondContact O-CA 3.39Å; A236-L241 VanDerWaalsContact O-CB 3.24Å; A236-L241 WeakPolarHBondContact O-CB 3.36Å; A236-L241 WeakPolarHBondContact O-CG 3.37Å; A236-L241 PolarHBondContact O-N 2.73Å; A236-L242 HydrophobicContact CB-CD1 3.88Å; A236-L242 HydrophobicContact CB-CD2 4.21Å; A236-L242 HydrophobicContact CB-CG 3.83Å; A236-L242 PolarHBondContact O-N 2.96Å; A236-V281 HydrophobicContact CB-CG2 3.98Å
237	Y	98.8	Very high	98.6	Very high	51 Å²	51	44.6 Å²	44.6	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-68.6	-52.5	173.9	177.1	-114	0	0	0	112.2	V233 Y234 F235 H239 G240 L242 N244 W247	V233-Y237 PolarHBondContact O-N 2.94Å; Y234-Y237 PolarHBondContact O-N 3.03Å; F235-Y237 VanDerWaalsContact C-N 3.31Å; F235-Y237 PolarHBondContact O-N 3.39Å; Y237-H239 PolarHBondContact O-N 2.86Å; Y237-G240 PolarHBondContact O-N 3.08Å; Y237-L242 HydrophobicContact CD2-CB 4.25Å; Y237-L242 VanDerWaalsContact CD2-O 3.3Å; Y237-L242 WeakPolarHBondContact CD2-O 3.44Å; Y237-N244 PolarHBondContact OH-OD1 3.24Å; Y237-W247 AromaticContact CD1-CD2 3.6Å; Y237-W247 HydrophobicContact CD1-CD2 3.6Å; Y237-W247 AromaticContact CD1-CE2 3.55Å; Y237-W247 HydrophobicContact CD1-CE3 4.03Å; Y237-W247 AromaticContact CD1-CG 3.95Å; Y237-W247 HydrophobicContact CD1-CG 3.95Å; Y237-W247 HydrophobicContact CD1-CH2 4.35Å; Y237-W247 AromaticContact CD1-CZ2 3.94Å; Y237-W247 HydrophobicContact CD1-CZ2 3.94Å; Y237-W247 HydrophobicContact CD1-CZ3 4.39Å; Y237-W247 AromaticContact CD1-NE1 3.85Å; Y237-W247 HydrophobicContact CD2-CB 3.5Å; Y237-W247 AromaticContact CD2-CD2 3.75Å; Y237-W247 HydrophobicContact CD2-CD2 3.75Å; Y237-W247 HydrophobicContact CD2-CE3 4.08Å; Y237-W247 AromaticContact CD2-CG 3.5Å; Y237-W247 HydrophobicContact CD2-CG 3.5Å; Y237-W247 VanDerWaalsContact CD2-CG 3.5Å; Y237-W247 AromaticContact CE1-CD1 3.57Å; Y237-W247 AromaticContact CE1-CD2 3.93Å; Y237-W247 HydrophobicContact CE1-CD2 3.93Å; Y237-W247 AromaticContact CE1-CE2 3.69Å; Y237-W247 AromaticContact CE1-CG 3.86Å; Y237-W247 HydrophobicContact CE1-CG 3.86Å; Y237-W247 HydrophobicContact CE1-CZ2 4.35Å; Y237-W247 AromaticContact CE1-NE1 3.46Å; Y237-W247 HydrophobicContact CE2-CB 3.42Å; Y237-W247 VanDerWaalsContact CE2-CB 3.42Å; Y237-W247 AromaticContact CE2-CD1 3.64Å; Y237-W247 HydrophobicContact CE2-CD2 4.08Å; Y237-W247 AromaticContact CE2-CG 3.4Å; Y237-W247 HydrophobicContact CE2-CG 3.4Å; Y237-W247 VanDerWaalsContact CE2-CG 3.4Å; Y237-W247 HydrophobicContact CG-CB 4.22Å; Y237-W247 AromaticContact CG-CD2 3.49Å; Y237-W247 HydrophobicContact CG-CD2 3.49Å; Y237-W247 VanDerWaalsContact CG-CD2 3.49Å; Y237-W247 AromaticContact CG-CE2 3.97Å; Y237-W247 AromaticContact CG-CE3 3.62Å; Y237-W247 HydrophobicContact CG-CE3 3.62Å; Y237-W247 AromaticContact CG-CG 3.76Å; Y237-W247 HydrophobicContact CG-CG 3.76Å; Y237-W247 HydrophobicContact CG-CZ3 4.2Å; Y237-W247 AromaticContact CZ-CD1 3.32Å; Y237-W247 AromaticContact CZ-CG 3.57Å; Y237-W247 AromaticContact CZ-NE1 3.74Å
238	Y	98.8	Very high	98.5	Very high	160 Å²	160	46 Å²	46	63%	0.627	24%	0.239	S	C	*	.	H	α-helix	trans	-71.6	-17	-175.1	-72.5	-63.5	0	0	0	114.2	Y234 F235 G240	Y234-Y238 HydrophobicContact CD1-CE2 4.09Å; Y234-Y238 VanDerWaalsContact O-CD2 3.25Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.15Å; Y234-Y238 PolarHBondContact O-N 3.48Å; F235-Y238 PolarHBondContact O-N 3.49Å; Y238-G240 VanDerWaalsContact C-N 3.35Å
239	H	98.7	Very high	98.5	Very high	60 Å²	60	47.3 Å²	47.3	28%	0.278	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	12.1	169.2	-63.8	82.7	0	0	0	113.4	F235 Y237 L241 L291	F235-H239 HydrophobicContact CD1-CB 4.42Å; F235-H239 AromaticContact CD1-CE1 3.91Å; F235-H239 AromaticContact CD1-CG 3.95Å; F235-H239 AromaticContact CD1-ND1 3.39Å; F235-H239 WeakPolarHBondContact CD1-ND1 3.31Å; F235-H239 AromaticContact CD2-CE1 3.45Å; F235-H239 VanDerWaalsContact CD2-CE1 3.45Å; F235-H239 WeakPolarHBondContact CD2-CE1 3.37Å; F235-H239 AromaticContact CD2-ND1 3.75Å; F235-H239 HydrophobicContact CE1-CB 4.24Å; F235-H239 AromaticContact CE1-CE1 3.77Å; F235-H239 AromaticContact CE1-CG 3.67Å; F235-H239 AromaticContact CE1-ND1 3.46Å; F235-H239 WeakPolarHBondContact CE1-ND1 3.29Å; F235-H239 AromaticContact CE2-CE1 3.32Å; F235-H239 WeakPolarHBondContact CE2-CE1 3.23Å; F235-H239 AromaticContact CE2-ND1 3.84Å; F235-H239 AromaticContact CE2-NE2 3.81Å; F235-H239 AromaticContact CG-CE1 3.75Å; F235-H239 AromaticContact CG-ND1 3.52Å; F235-H239 AromaticContact CZ-CD2 3.99Å; F235-H239 AromaticContact CZ-CE1 3.48Å; F235-H239 VanDerWaalsContact CZ-CE1 3.48Å; F235-H239 WeakPolarHBondContact CZ-CE1 3.38Å; F235-H239 AromaticContact CZ-CG 4Å; F235-H239 AromaticContact CZ-ND1 3.7Å; F235-H239 AromaticContact CZ-NE2 3.69Å; F235-H239 WeakPolarHBondContact O-CB 3.36Å; F235-H239 PolarHBondContact O-N 3.04Å; F235-H239 PolarHBondContact O-ND1 2.86Å; Y237-H239 PolarHBondContact O-N 2.86Å; H239-L241 PolarHBondContact O-N 3.44Å; H239-L291 HydrophobicContact CB-CD2 3.62Å
240	G	98.4	Very high	98.5	Very high	66 Å²	66	47.3 Å²	47.3	68%	0.68	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	12	168.8	0	0	0	0	0	116	Y237 Y238	Y237-G240 PolarHBondContact O-N 3.08Å; Y238-G240 VanDerWaalsContact C-N 3.35Å
241	L	98.4	Very high	98.4	Very high	37 Å²	37	49.6 Å²	49.6	19%	0.194	26%	0.259	C	S	.	.			trans	-81.7	-30.7	-179.1	-42.3	-178.4	0	0	0	112	A236 H239 I280 L286 L291 M415	A236-L241 HydrophobicContact CB-CB 4.37Å; A236-L241 HydrophobicContact CB-CD1 4.09Å; A236-L241 WeakPolarHBondContact O-CA 3.39Å; A236-L241 VanDerWaalsContact O-CB 3.24Å; A236-L241 WeakPolarHBondContact O-CB 3.36Å; A236-L241 WeakPolarHBondContact O-CG 3.37Å; A236-L241 PolarHBondContact O-N 2.73Å; H239-L241 PolarHBondContact O-N 3.44Å; L241-I280 HydrophobicContact CB-CG2 4Å; L241-L286 HydrophobicContact CD1-CD1 3.88Å; L241-L286 HydrophobicContact CD2-CD1 3.88Å; L241-L286 HydrophobicContact CG-CD1 4.34Å; L241-L291 HydrophobicContact CD1-CD1 4.01Å; L241-L291 HydrophobicContact CD2-CD1 3.68Å; L241-L291 HydrophobicContact CD2-CD2 4.37Å; L241-L291 HydrophobicContact CG-CD1 4.43Å; L241-M415 HydrophobicContact CD1-CE 4.32Å; L241-M415 HydrophobicContact CD1-SD 3.47Å; L241-M415 WeakPolarHBondContact CD1-SD 3.48Å
242	L	98.5	Very high	98.4	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.29	C	S	.	.	S	Bend	trans	-105.6	122.3	-179.8	-45.9	-177.7	0	0	0	109.8	V233 A236 Y237 L246 L250 V277 I280	V233-L242 HydrophobicContact CG1-CD1 4.33Å; A236-L242 HydrophobicContact CB-CD1 3.88Å; A236-L242 HydrophobicContact CB-CD2 4.21Å; A236-L242 HydrophobicContact CB-CG 3.83Å; A236-L242 PolarHBondContact O-N 2.96Å; Y237-L242 HydrophobicContact CD2-CB 4.25Å; Y237-L242 VanDerWaalsContact CD2-O 3.3Å; Y237-L242 WeakPolarHBondContact CD2-O 3.44Å; L242-L246 HydrophobicContact CB-CD2 4.38Å; L242-L246 HydrophobicContact CD2-CD2 3.91Å; L242-L250 HydrophobicContact CD1-CD1 4.02Å; L242-V277 HydrophobicContact CD1-CG1 4.24Å; L242-V277 HydrophobicContact CD1-CG2 3.8Å; L242-V277 HydrophobicContact CD2-CB 4.49Å; L242-V277 HydrophobicContact CD2-CG1 4.31Å; L242-V277 HydrophobicContact CD2-CG2 4.05Å; L242-I280 HydrophobicContact CD2-CB 4.4Å; L242-I280 HydrophobicContact CD2-CD1 3.77Å; L242-I280 HydrophobicContact CD2-CG2 4.2Å
243	G	97.4	Very high	98.4	Very high	50 Å²	50	57.6 Å²	57.6	52%	0.515	30%	0.304	S	S	.	.			trans	-75.4	154.2	175.2	0	0	0	0	0	112.9	R245 L246 W247	G243-R245 PolarHBondContact O-N 2.86Å; G243-L246 PolarHBondContact O-N 2.8Å; G243-W247 PolarHBondContact O-N 3.24Å; G243-W247 VanDerWaalsContact O-N 3.1Å
244	N	97.8	Very high	98.3	Very high	112 Å²	112	57.9 Å²	57.9	60%	0.599	31%	0.306	S	S	*	.	H	α-helix	trans	-48.2	-33.9	-176.3	-68	3.3	0	0	0	114.9	Y237 W247 S248	Y237-N244 PolarHBondContact OH-OD1 3.24Å; N244-W247 PolarHBondContact O-N 2.78Å; N244-S248 WeakPolarHBondContact O-CB 3.26Å; N244-S248 PolarHBondContact O-N 3.41Å; N244-S248 PolarHBondContact O-OG 2.86Å; N244-S248 VanDerWaalsContact O-OG 3.1Å
245	R	98.3	Very high	98.3	Very high	232 Å²	232	56.8 Å²	56.8	88%	0.875	31%	0.305	S	S	*	.	H	α-helix	trans	-63.5	-46.6	177.7	-65	-175.5	-176.1	179.2	1.9	112.4	G243 S249	G243-R245 PolarHBondContact O-N 2.86Å; R245-S249 WeakPolarHBondContact O-CB 3.32Å; R245-S249 PolarHBondContact O-N 2.88Å; R245-S249 VanDerWaalsContact O-N 3.13Å
246	L	98.4	Very high	98.1	Very high	28 Å²	28	60.8 Å²	60.8	15%	0.147	33%	0.333	C	S	.	.	H	α-helix	trans	-68.2	-40.2	176.8	178.7	57.5	0	0	0	110.2	L242 G243 S249 L250 N273 E276 V277 I280	L242-L246 HydrophobicContact CB-CD2 4.38Å; L242-L246 HydrophobicContact CD2-CD2 3.91Å; G243-L246 PolarHBondContact O-N 2.8Å; L246-S249 WeakPolarHBondContact O-CB 3.13Å; L246-S249 PolarHBondContact O-N 3.2Å; L246-L250 HydrophobicContact CD1-CD1 4.38Å; L246-L250 HydrophobicContact CD1-CG 4.39Å; L246-L250 HydrophobicContact CG-CD1 4.06Å; L246-L250 WeakPolarHBondContact O-CB 3.42Å; L246-L250 WeakPolarHBondContact O-CG 3.21Å; L246-L250 PolarHBondContact O-N 2.93Å; L246-N273 HydrophobicContact CD1-CB 3.89Å; L246-E276 HydrophobicContact CD2-CG 3.95Å; L246-V277 HydrophobicContact CD2-CG2 4.26Å; L246-I280 HydrophobicContact CD2-CD1 3.91Å
247	W	98.5	Very high	97.5	Very high	26 Å²	26	69.6 Å²	69.6	10%	0.098	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-45.9	176	-176.8	-115.3	0	0	0	113.4	V233 Y234 Y237 G243 N244 S249 L250 Q251 F262	V233-W247 HydrophobicContact CG1-CZ3 4.32Å; Y234-W247 AromaticContact CD1-CH2 3.51Å; Y234-W247 HydrophobicContact CD1-CH2 3.51Å; Y234-W247 HydrophobicContact CD1-CZ2 4.18Å; Y234-W247 AromaticContact CE1-CH2 3.69Å; Y234-W247 HydrophobicContact CE1-CH2 3.69Å; Y234-W247 HydrophobicContact CE1-CZ2 4.17Å; Y234-W247 HydrophobicContact CG-CH2 4.29Å; Y237-W247 AromaticContact CD1-CD2 3.6Å; Y237-W247 HydrophobicContact CD1-CD2 3.6Å; Y237-W247 AromaticContact CD1-CE2 3.55Å; Y237-W247 HydrophobicContact CD1-CE3 4.03Å; Y237-W247 AromaticContact CD1-CG 3.95Å; Y237-W247 HydrophobicContact CD1-CG 3.95Å; Y237-W247 HydrophobicContact CD1-CH2 4.35Å; Y237-W247 AromaticContact CD1-CZ2 3.94Å; Y237-W247 HydrophobicContact CD1-CZ2 3.94Å; Y237-W247 HydrophobicContact CD1-CZ3 4.39Å; Y237-W247 AromaticContact CD1-NE1 3.85Å; Y237-W247 HydrophobicContact CD2-CB 3.5Å; Y237-W247 AromaticContact CD2-CD2 3.75Å; Y237-W247 HydrophobicContact CD2-CD2 3.75Å; Y237-W247 HydrophobicContact CD2-CE3 4.08Å; Y237-W247 AromaticContact CD2-CG 3.5Å; Y237-W247 HydrophobicContact CD2-CG 3.5Å; Y237-W247 VanDerWaalsContact CD2-CG 3.5Å; Y237-W247 AromaticContact CE1-CD1 3.57Å; Y237-W247 AromaticContact CE1-CD2 3.93Å; Y237-W247 HydrophobicContact CE1-CD2 3.93Å; Y237-W247 AromaticContact CE1-CE2 3.69Å; Y237-W247 AromaticContact CE1-CG 3.86Å; Y237-W247 HydrophobicContact CE1-CG 3.86Å; Y237-W247 HydrophobicContact CE1-CZ2 4.35Å; Y237-W247 AromaticContact CE1-NE1 3.46Å; Y237-W247 HydrophobicContact CE2-CB 3.42Å; Y237-W247 VanDerWaalsContact CE2-CB 3.42Å; Y237-W247 AromaticContact CE2-CD1 3.64Å; Y237-W247 HydrophobicContact CE2-CD2 4.08Å; Y237-W247 AromaticContact CE2-CG 3.4Å; Y237-W247 HydrophobicContact CE2-CG 3.4Å; Y237-W247 VanDerWaalsContact CE2-CG 3.4Å; Y237-W247 HydrophobicContact CG-CB 4.22Å; Y237-W247 AromaticContact CG-CD2 3.49Å; Y237-W247 HydrophobicContact CG-CD2 3.49Å; Y237-W247 VanDerWaalsContact CG-CD2 3.49Å; Y237-W247 AromaticContact CG-CE2 3.97Å; Y237-W247 AromaticContact CG-CE3 3.62Å; Y237-W247 HydrophobicContact CG-CE3 3.62Å; Y237-W247 AromaticContact CG-CG 3.76Å; Y237-W247 HydrophobicContact CG-CG 3.76Å; Y237-W247 HydrophobicContact CG-CZ3 4.2Å; Y237-W247 AromaticContact CZ-CD1 3.32Å; Y237-W247 AromaticContact CZ-CG 3.57Å; Y237-W247 AromaticContact CZ-NE1 3.74Å; G243-W247 PolarHBondContact O-N 3.24Å; G243-W247 VanDerWaalsContact O-N 3.1Å; N244-W247 PolarHBondContact O-N 2.78Å; W247-S249 VanDerWaalsContact C-N 3.32Å; W247-S249 PolarHBondContact O-N 3.32Å; W247-L250 HydrophobicContact CE3-CD1 4.24Å; W247-L250 WeakPolarHBondContact O-CB 3.11Å; W247-L250 PolarHBondContact O-N 3.42Å; W247-Q251 HydrophobicContact CD2-CG 4.24Å; W247-Q251 HydrophobicContact CZ2-CG 4.07Å; W247-Q251 WeakPolarHBondContact O-CG 3.37Å; W247-Q251 PolarHBondContact O-N 2.87Å; W247-F262 HydrophobicContact CZ3-CZ 4.33Å
248	S	98.2	Very high	97	Very high	69 Å²	69	75 Å²	75	48%	0.483	41%	0.406	S	S	.	.	H	α-helix	trans	-60.6	-42	174.4	-65.5	0	0	0	0	111.7	N244 Q251 T252	N244-S248 WeakPolarHBondContact O-CB 3.26Å; N244-S248 PolarHBondContact O-N 3.41Å; N244-S248 PolarHBondContact O-OG 2.86Å; N244-S248 VanDerWaalsContact O-OG 3.1Å; S248-Q251 PolarHBondContact O-N 3.35Å; S248-T252 WeakPolarHBondContact O-CB 2.95Å; S248-T252 PolarHBondContact O-N 3.38Å; S248-T252 PolarHBondContact O-OG1 2.99Å; S248-T252 VanDerWaalsContact O-OG1 3.11Å
249	S	98.3	Very high	96.8	Very high	34 Å²	34	75.5 Å²	75.5	24%	0.238	41%	0.412	C	S	.	.	H	α-helix	trans	-61.1	-46.1	175.8	-162.1	0	0	0	0	111.8	R245 L246 W247 Q251 T252 H253 N273	R245-S249 WeakPolarHBondContact O-CB 3.32Å; R245-S249 PolarHBondContact O-N 2.88Å; R245-S249 VanDerWaalsContact O-N 3.13Å; L246-S249 WeakPolarHBondContact O-CB 3.13Å; L246-S249 PolarHBondContact O-N 3.2Å; W247-S249 VanDerWaalsContact C-N 3.32Å; W247-S249 PolarHBondContact O-N 3.32Å; S249-Q251 PolarHBondContact O-N 2.94Å; S249-T252 PolarHBondContact O-N 3.26Å; S249-H253 WeakPolarHBondContact O-CB 3.25Å; S249-H253 PolarHBondContact O-CD2 3.23Å; S249-H253 VanDerWaalsContact O-CD2 3.26Å; S249-H253 PolarHBondContact O-N 2.87Å; S249-N273 WeakPolarHBondContact CB-OD1 3.32Å; S249-N273 PolarHBondContact O-ND2 2.64Å; S249-N273 VanDerWaalsContact OG-CG 3.24Å; S249-N273 PolarHBondContact OG-ND2 3.42Å; S249-N273 PolarHBondContact OG-OD1 2.88Å
250	L	98.4	Very high	96.8	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-58	-45.7	172.8	-74.2	163.4	0	0	0	111.7	V233 L242 L246 W247 T252 C254 F262 N273 L274 V277	V233-L250 HydrophobicContact CG1-CD1 3.88Å; V233-L250 HydrophobicContact CG1-CD2 4.43Å; L242-L250 HydrophobicContact CD1-CD1 4.02Å; L246-L250 HydrophobicContact CD1-CD1 4.38Å; L246-L250 HydrophobicContact CD1-CG 4.39Å; L246-L250 HydrophobicContact CG-CD1 4.06Å; L246-L250 WeakPolarHBondContact O-CB 3.42Å; L246-L250 WeakPolarHBondContact O-CG 3.21Å; L246-L250 PolarHBondContact O-N 2.93Å; W247-L250 HydrophobicContact CE3-CD1 4.24Å; W247-L250 WeakPolarHBondContact O-CB 3.11Å; W247-L250 PolarHBondContact O-N 3.42Å; L250-T252 PolarHBondContact O-N 3.36Å; L250-C254 WeakPolarHBondContact O-CA 3.44Å; L250-C254 WeakPolarHBondContact O-CB 3.36Å; L250-C254 PolarHBondContact O-N 2.91Å; L250-F262 HydrophobicContact CB-CE1 4.05Å; L250-F262 HydrophobicContact CB-CZ 4.5Å; L250-F262 HydrophobicContact CD2-CD1 4.33Å; L250-F262 HydrophobicContact CD2-CE1 4.01Å; L250-N273 HydrophobicContact CD2-CB 3.57Å; L250-N273 HydrophobicContact CG-CB 3.96Å; L250-L274 HydrophobicContact CD2-CD2 3.76Å; L250-L274 HydrophobicContact CD2-CG 3.91Å; L250-V277 HydrophobicContact CD1-CG2 3.77Å; L250-V277 HydrophobicContact CD2-CG2 4.31Å
251	Q	97.9	Very high	96.8	Very high	65 Å²	65	72.8 Å²	72.8	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-37.7	178.3	-71.4	-62	-45.9	0	0	113	W247 S248 S249 C255 C260	W247-Q251 HydrophobicContact CD2-CG 4.24Å; W247-Q251 HydrophobicContact CZ2-CG 4.07Å; W247-Q251 WeakPolarHBondContact O-CG 3.37Å; W247-Q251 PolarHBondContact O-N 2.87Å; S248-Q251 PolarHBondContact O-N 3.35Å; S249-Q251 PolarHBondContact O-N 2.94Å; Q251-C255 WeakPolarHBondContact O-CB 3.26Å; Q251-C260 PolarHBondContact NE2-SG 3.13Å
252	T	97.9	Very high	96.8	Very high	104 Å²	104	71 Å²	71	64%	0.638	38%	0.376	S	S	*	.	H	α-helix	trans	-70.7	-40.3	178.3	-64.7	0	0	0	0	112.8	S248 S249 L250	S248-T252 WeakPolarHBondContact O-CB 2.95Å; S248-T252 PolarHBondContact O-N 3.38Å; S248-T252 PolarHBondContact O-OG1 2.99Å; S248-T252 VanDerWaalsContact O-OG1 3.11Å; S249-T252 PolarHBondContact O-N 3.26Å; L250-T252 PolarHBondContact O-N 3.36Å
253	H	98.1	Very high	96.7	Very high	64 Å²	64	71 Å²	71	30%	0.296	38%	0.376	S	S	.	.	H	α-helix	trans	-101.5	-27.8	-169.4	-70.6	-77.8	0	0	0	114.2	S249 D267 E269 C270	S249-H253 WeakPolarHBondContact O-CB 3.25Å; S249-H253 PolarHBondContact O-CD2 3.23Å; S249-H253 VanDerWaalsContact O-CD2 3.26Å; S249-H253 PolarHBondContact O-N 2.87Å; H253-D267 WeakPolarHBondContact CB-OD1 3.47Å; H253-D267 IonicContact CG-OD1 3.44Å; H253-D267 IonicContact ND1-OD1 2.76Å; H253-E269 HydrophobicContact CB-CB 4.19Å; H253-E269 WeakPolarHBondContact ND1-CB 3.41Å; H253-C270 HydrophobicContact CB-CB 3.93Å
254	C	98.1	Very high	96.7	Very high	6 Å²	6	71.7 Å²	71.7	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-102.2	-8.9	-177	-54	0	0	0	0	114.3	L250 N261 F262 N265 C270	L250-C254 WeakPolarHBondContact O-CA 3.44Å; L250-C254 WeakPolarHBondContact O-CB 3.36Å; L250-C254 PolarHBondContact O-N 2.91Å; C254-N261 PolarHBondContact O-N 3.13Å; C254-F262 HydrophobicContact CB-CD1 3.53Å; C254-F262 HydrophobicContact CB-CE1 3.42Å; C254-F262 VanDerWaalsContact CB-CE1 3.42Å; C254-N265 WeakPolarHBondContact CA-ND2 3.43Å; C254-C270 WeakPolarHBondContact CA-SG 3.46Å; C254-C270 HydrophobicContact CB-CB 4.14Å; C254-C270 WeakPolarHBondContact CB-SG 3.32Å; C254-C270 WeakPolarHBondContact SG-CA 3.45Å; C254-C270 WeakPolarHBondContact SG-CB 3.43Å; C254-C270 CovalentContact SG-SG 2.03Å; C254-C270 PolarHBondContact SG-SG 2.68Å
255	C	97.8	Very high	96.7	Very high	24 Å²	24	67.7 Å²	67.7	16%	0.162	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.3	-168.1	-43.1	0	0	0	0	113.4	Q251 K259 C260	Q251-C255 WeakPolarHBondContact O-CB 3.26Å; C255-K259 CarbonylContact C-O 3.52Å; C255-K259 VanDerWaalsContact CA-O 3.22Å; C255-K259 WeakPolarHBondContact CA-O 3.41Å; C255-K259 WeakPolarHBondContact CB-O 3.19Å; C255-C260 HydrophobicContact CB-CB 3.97Å; C255-C260 WeakPolarHBondContact CB-SG 3.29Å; C255-C260 VanDerWaalsContact SG-CA 3.54Å; C255-C260 WeakPolarHBondContact SG-CB 3.39Å; C255-C260 CovalentContact SG-SG 2.03Å; C255-C260 PolarHBondContact SG-SG 3.35Å
256	S	95.6	Very high	96.6	Very high	85 Å²	85	62.6 Å²	62.6	59%	0.594	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	136	174.6	-177.5	0	0	0	0	109.7	N258 K259	S256-N258 VanDerWaalsContact C-N 3.34Å; S256-N258 PolarHBondContact O-N 3.32Å; S256-K259 PolarHBondContact N-O 3.22Å; S256-K259 PolarHBondContact O-N 2.9Å; S256-K259 VanDerWaalsContact O-O 3.11Å
257	Q	85.3	Confident	96.5	Very high	185 Å²	185	63.8 Å²	63.8	86%	0.864	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	50.3	176.1	-59.2	-179.7	-6.5	0	0	113.5	K259	Q257-K259 PolarHBondContact O-N 2.67Å
258	N	88.9	Confident	96.4	Very high	164 Å²	164	66.6 Å²	66.6	88%	0.877	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	11.7	-177.6	-58.6	-12.7	0	0	0	116.2	S256	S256-N258 VanDerWaalsContact C-N 3.34Å; S256-N258 PolarHBondContact O-N 3.32Å
259	K	94	Very high	96.4	Very high	170 Å²	170	68 Å²	68	74%	0.739	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.5	169.4	-66.5	-173	177.3	-174.4	0	110.3	C255 S256 Q257	C255-K259 CarbonylContact C-O 3.52Å; C255-K259 VanDerWaalsContact CA-O 3.22Å; C255-K259 WeakPolarHBondContact CA-O 3.41Å; C255-K259 WeakPolarHBondContact CB-O 3.19Å; S256-K259 PolarHBondContact N-O 3.22Å; S256-K259 PolarHBondContact O-N 2.9Å; S256-K259 VanDerWaalsContact O-O 3.11Å; Q257-K259 PolarHBondContact O-N 2.67Å
260	C	97.8	Very high	96.4	Very high	19 Å²	19	66.4 Å²	66.4	13%	0.128	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.9	171.9	-65.1	0	0	0	0	110.5	Y234 Q251 C255 F262	Y234-C260 HydrophobicContact CE2-CB 4.35Å; Y234-C260 PolarHBondContact OH-SG 3.46Å; Q251-C260 PolarHBondContact NE2-SG 3.13Å; C255-C260 HydrophobicContact CB-CB 3.97Å; C255-C260 WeakPolarHBondContact CB-SG 3.29Å; C255-C260 VanDerWaalsContact SG-CA 3.54Å; C255-C260 WeakPolarHBondContact SG-CB 3.39Å; C255-C260 CovalentContact SG-SG 2.03Å; C255-C260 PolarHBondContact SG-SG 3.35Å; C260-F262 HydrophobicContact CB-CD1 4.46Å; C260-F262 HydrophobicContact CB-CD2 3.88Å; C260-F262 HydrophobicContact CB-CE1 4.05Å; C260-F262 HydrophobicContact CB-CE2 3.39Å; C260-F262 HydrophobicContact CB-CG 4.41Å; C260-F262 HydrophobicContact CB-CZ 3.5Å
261	N	98.1	Very high	96.4	Very high	50 Å²	50	67.1 Å²	67.1	27%	0.267	35%	0.35	S	S	.	.			trans	-110.7	103.7	163.8	-179.6	-1.9	0	0	0	108.2	C254 Y263 D264 N265	C254-N261 PolarHBondContact O-N 3.13Å; N261-Y263 PolarHBondContact OD1-N 2.84Å; N261-D264 PolarHBondContact ND2-OD1 3.16Å; N261-D264 PolarHBondContact OD1-N 3.19Å; N261-N265 WeakPolarHBondContact O-CB 3.35Å; N261-N265 PolarHBondContact O-ND2 2.88Å
262	F	98.5	Very high	96.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.362	C	S	.	.			trans	-105.8	2.4	171.9	-54.9	-53.6	0	0	0	112.6	N230 V233 Y234 W247 L250 C254 C260 L274	N230-F262 WeakPolarHBondContact OD1-CB 3.26Å; N230-F262 PolarHBondContact OD1-N 3.18Å; V233-F262 HydrophobicContact CB-CB 4.34Å; V233-F262 HydrophobicContact CB-CD1 4.46Å; V233-F262 HydrophobicContact CB-CD2 3.55Å; V233-F262 HydrophobicContact CB-CE2 3.8Å; V233-F262 HydrophobicContact CB-CG 3.89Å; V233-F262 HydrophobicContact CB-CZ 4.35Å; V233-F262 HydrophobicContact CG1-CD1 4.13Å; V233-F262 HydrophobicContact CG1-CD2 3.9Å; V233-F262 HydrophobicContact CG1-CE1 3.99Å; V233-F262 HydrophobicContact CG1-CE2 3.76Å; V233-F262 HydrophobicContact CG1-CG 4.07Å; V233-F262 HydrophobicContact CG1-CZ 3.8Å; V233-F262 HydrophobicContact CG2-CB 3.75Å; V233-F262 HydrophobicContact CG2-CD1 4.44Å; V233-F262 HydrophobicContact CG2-CD2 3.95Å; V233-F262 HydrophobicContact CG2-CG 3.82Å; Y234-F262 HydrophobicContact CD2-CE2 4.08Å; Y234-F262 HydrophobicContact CE2-CD2 4.34Å; Y234-F262 AromaticContact CE2-CE2 3.77Å; Y234-F262 HydrophobicContact CE2-CE2 3.77Å; W247-F262 HydrophobicContact CZ3-CZ 4.33Å; L250-F262 HydrophobicContact CB-CE1 4.05Å; L250-F262 HydrophobicContact CB-CZ 4.5Å; L250-F262 HydrophobicContact CD2-CD1 4.33Å; L250-F262 HydrophobicContact CD2-CE1 4.01Å; C254-F262 HydrophobicContact CB-CD1 3.53Å; C254-F262 HydrophobicContact CB-CE1 3.42Å; C254-F262 VanDerWaalsContact CB-CE1 3.42Å; C260-F262 HydrophobicContact CB-CD1 4.46Å; C260-F262 HydrophobicContact CB-CD2 3.88Å; C260-F262 HydrophobicContact CB-CE1 4.05Å; C260-F262 HydrophobicContact CB-CE2 3.39Å; C260-F262 HydrophobicContact CB-CG 4.41Å; C260-F262 HydrophobicContact CB-CZ 3.5Å; F262-L274 HydrophobicContact CB-CD1 4.29Å; F262-L274 HydrophobicContact CB-CD2 3.86Å; F262-L274 HydrophobicContact CD1-CD1 4.29Å; F262-L274 HydrophobicContact CD1-CD2 3.77Å; F262-L274 HydrophobicContact CD1-CG 4.45Å; F262-L274 HydrophobicContact CG-CD2 4.12Å
263	Y	98.1	Very high	96.3	Very high	5 Å²	5	64.4 Å²	64.4	2%	0.02	34%	0.337	C	S	.	.	S	Bend	trans	-92.4	-58	-174	167.5	-125.7	0	0	0	112.5	E226 D229 N261 R321 L322	E226-Y263 HydrophobicContact CB-CD1 3.64Å; E226-Y263 HydrophobicContact CB-CD2 4.23Å; E226-Y263 HydrophobicContact CB-CE1 3.77Å; E226-Y263 HydrophobicContact CB-CE2 4.37Å; E226-Y263 HydrophobicContact CB-CG 3.86Å; E226-Y263 HydrophobicContact CG-CD1 3.61Å; E226-Y263 HydrophobicContact CG-CE1 4.15Å; E226-Y263 HydrophobicContact CG-CG 3.94Å; D229-Y263 HydrophobicContact CB-CD2 4.22Å; D229-Y263 WeakPolarHBondContact OD2-CD2 3.47Å; N261-Y263 PolarHBondContact OD1-N 2.84Å; Y263-R321 HydrophobicContact CD2-CB 4.18Å; Y263-R321 HydrophobicContact CD2-CG 4.1Å; Y263-R321 HydrophobicContact CE1-CG 4.06Å; Y263-R321 HydrophobicContact CE2-CB 3.93Å; Y263-R321 HydrophobicContact CE2-CG 3.35Å; Y263-R321 CarbonylContact O-C 3.5Å; Y263-R321 WeakPolarHBondContact O-CB 3.3Å; Y263-R321 WeakPolarHBondContact OH-CG 3.29Å; Y263-L322 VanDerWaalsContact O-CD2 3.26Å; Y263-L322 WeakPolarHBondContact O-CD2 3.5Å; Y263-L322 WeakPolarHBondContact O-CG 3.28Å; Y263-L322 PolarHBondContact O-N 2.89Å
264	D	97.5	Very high	96.3	Very high	63 Å²	63	61.3 Å²	61.3	34%	0.337	32%	0.323	S	S	.	.	S	Bend	trans	-131.9	22.8	-172.8	79.4	-9.8	0	0	0	113.9	N261 K266 R321	N261-D264 PolarHBondContact ND2-OD1 3.16Å; N261-D264 PolarHBondContact OD1-N 3.19Å; D264-K266 VanDerWaalsContact C-NZ 3.35Å; D264-K266 PolarHBondContact O-NZ 2.96Å; D264-R321 HydrophobicContact CB-CB 3.5Å; D264-R321 VanDerWaalsContact CB-CB 3.5Å; D264-R321 HydrophobicContact CB-CG 4.29Å
265	N	97.2	Very high	96.2	Very high	28 Å²	28	64 Å²	64	15%	0.15	34%	0.335	C	S	.	.			trans	-58.2	155	176.1	-152.8	-35.7	0	0	0	112.4	C254 N261 D267 C270	C254-N265 WeakPolarHBondContact CA-ND2 3.43Å; N261-N265 WeakPolarHBondContact O-CB 3.35Å; N261-N265 PolarHBondContact O-ND2 2.88Å; N265-D267 WeakPolarHBondContact OD1-CB 3.42Å; N265-D267 PolarHBondContact OD1-N 2.78Å; N265-C270 PolarHBondContact ND2-SG 2.96Å; N265-C270 VanDerWaalsContact ND2-SG 3.44Å
266	K	95.7	Very high	96.2	Very high	126 Å²	126	66.3 Å²	66.3	55%	0.548	34%	0.343	S	S	.	.			trans	-129.3	-4.1	-175	-58.6	-68.5	166.1	-84.7	0	113	D264 R321 P323	D264-K266 VanDerWaalsContact C-NZ 3.35Å; D264-K266 PolarHBondContact O-NZ 2.96Å; K266-R321 PolarHBondContact NZ-O 2.9Å; K266-P323 HydrophobicContact CD-CG 4.44Å
267	D	97.3	Very high	96.3	Very high	53 Å²	53	62.2 Å²	62.2	28%	0.283	32%	0.315	S	S	.	.			trans	-60.4	124.6	169.5	176.9	-83	0	0	0	110	H253 N265 E269 C270 V271	H253-D267 WeakPolarHBondContact CB-OD1 3.47Å; H253-D267 IonicContact CG-OD1 3.44Å; H253-D267 IonicContact ND1-OD1 2.76Å; N265-D267 WeakPolarHBondContact OD1-CB 3.42Å; N265-D267 PolarHBondContact OD1-N 2.78Å; D267-E269 PolarHBondContact O-N 2.96Å; D267-E269 PolarHBondContact OD1-N 3.42Å; D267-C270 HydrophobicContact CB-CB 3.8Å; D267-C270 WeakPolarHBondContact O-CB 3.47Å; D267-C270 PolarHBondContact O-N 3.48Å; D267-C270 WeakPolarHBondContact OD1-CB 3.12Å; D267-C270 PolarHBondContact OD1-N 2.75Å; D267-V271 WeakPolarHBondContact O-CG2 3.27Å; D267-V271 PolarHBondContact O-N 3.16Å
268	P	96.8	Very high	96.7	Very high	84 Å²	84	54.4 Å²	54.4	55%	0.545	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-39.5	-171.7	-23.9	34.3	0	0	0	113.8	V271 T272	P268-V271 PolarHBondContact O-N 2.85Å; P268-T272 WeakPolarHBondContact O-CB 3.4Å; P268-T272 PolarHBondContact O-N 2.89Å; P268-T272 PolarHBondContact O-OG1 3.2Å
269	E	97.7	Very high	96.9	Very high	99 Å²	99	51.1 Å²	51.1	46%	0.463	26%	0.257	S	S	.	.	H	α-helix	trans	-67.8	-44.6	177.4	-73.5	70.7	-165.2	0	0	110.5	H253 D267 V271 T272 N273	H253-E269 HydrophobicContact CB-CB 4.19Å; H253-E269 WeakPolarHBondContact ND1-CB 3.41Å; D267-E269 PolarHBondContact O-N 2.96Å; D267-E269 PolarHBondContact OD1-N 3.42Å; E269-V271 PolarHBondContact O-N 2.93Å; E269-T272 PolarHBondContact O-N 3.18Å; E269-N273 PolarHBondContact O-N 3.15Å; E269-N273 PolarHBondContact O-ND2 3.47Å
270	C	98	Very high	97	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-48.7	172.1	178.6	0	0	0	0	111.9	H253 C254 N265 D267 T272 N273 L274	H253-C270 HydrophobicContact CB-CB 3.93Å; C254-C270 WeakPolarHBondContact CA-SG 3.46Å; C254-C270 HydrophobicContact CB-CB 4.14Å; C254-C270 WeakPolarHBondContact CB-SG 3.32Å; C254-C270 WeakPolarHBondContact SG-CA 3.45Å; C254-C270 WeakPolarHBondContact SG-CB 3.43Å; C254-C270 CovalentContact SG-SG 2.03Å; C254-C270 PolarHBondContact SG-SG 2.68Å; N265-C270 PolarHBondContact ND2-SG 2.96Å; N265-C270 VanDerWaalsContact ND2-SG 3.44Å; D267-C270 HydrophobicContact CB-CB 3.8Å; D267-C270 WeakPolarHBondContact O-CB 3.47Å; D267-C270 PolarHBondContact O-N 3.48Å; D267-C270 WeakPolarHBondContact OD1-CB 3.12Å; D267-C270 PolarHBondContact OD1-N 2.75Å; C270-T272 VanDerWaalsContact C-N 3.29Å; C270-T272 PolarHBondContact O-N 3.32Å; C270-N273 PolarHBondContact O-N 3.43Å; C270-L274 WeakPolarHBondContact O-CB 3.3Å; C270-L274 VanDerWaalsContact O-CG 3.3Å; C270-L274 WeakPolarHBondContact O-CG 3.41Å; C270-L274 PolarHBondContact O-N 3.24Å; C270-L274 VanDerWaalsContact SG-CD1 3.5Å
271	V	97.3	Very high	96.9	Very high	15 Å²	15	43.3 Å²	43.3	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-39	177.1	170.6	0	0	0	0	111.3	D267 P268 E269 L274 Q275 P323 L324	D267-V271 WeakPolarHBondContact O-CG2 3.27Å; D267-V271 PolarHBondContact O-N 3.16Å; P268-V271 PolarHBondContact O-N 2.85Å; E269-V271 PolarHBondContact O-N 2.93Å; V271-L274 PolarHBondContact O-N 2.94Å; V271-Q275 WeakPolarHBondContact O-CB 3.22Å; V271-Q275 PolarHBondContact O-N 2.86Å; V271-P323 HydrophobicContact CG1-CG 3.99Å; V271-P323 HydrophobicContact CG2-CG 3.84Å; V271-L324 HydrophobicContact CG1-CD2 4.24Å
272	T	97.4	Very high	96.4	Very high	92 Å²	92	42.7 Å²	42.7	56%	0.564	23%	0.228	S	C	*	.	H	α-helix	trans	-66.4	-44	177.1	-58.8	0	0	0	0	111.5	P268 E269 C270 Q275 E276	P268-T272 WeakPolarHBondContact O-CB 3.4Å; P268-T272 PolarHBondContact O-N 2.89Å; P268-T272 PolarHBondContact O-OG1 3.2Å; E269-T272 PolarHBondContact O-N 3.18Å; C270-T272 VanDerWaalsContact C-N 3.29Å; C270-T272 PolarHBondContact O-N 3.32Å; T272-Q275 WeakPolarHBondContact O-CB 3.48Å; T272-Q275 PolarHBondContact O-N 2.9Å; T272-E276 PolarHBondContact O-N 3.34Å
273	N	98.3	Very high	95.9	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.107	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-44.7	174.2	-67.8	-45	0	0	0	111.3	L246 S249 L250 E269 C270 Q275 E276 V277	L246-N273 HydrophobicContact CD1-CB 3.89Å; S249-N273 WeakPolarHBondContact CB-OD1 3.32Å; S249-N273 PolarHBondContact O-ND2 2.64Å; S249-N273 VanDerWaalsContact OG-CG 3.24Å; S249-N273 PolarHBondContact OG-ND2 3.42Å; S249-N273 PolarHBondContact OG-OD1 2.88Å; L250-N273 HydrophobicContact CD2-CB 3.57Å; L250-N273 HydrophobicContact CG-CB 3.96Å; E269-N273 PolarHBondContact O-N 3.15Å; E269-N273 PolarHBondContact O-ND2 3.47Å; C270-N273 PolarHBondContact O-N 3.43Å; N273-Q275 VanDerWaalsContact C-N 3.31Å; N273-Q275 PolarHBondContact O-N 3.03Å; N273-E276 WeakPolarHBondContact O-CB 3.35Å; N273-E276 PolarHBondContact O-N 3.4Å; N273-E276 VanDerWaalsContact O-N 3.12Å; N273-V277 WeakPolarHBondContact O-CG2 3.34Å; N273-V277 PolarHBondContact O-N 2.87Å
274	L	98	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-28.2	179.1	-70.6	166.7	0	0	0	112.8	V233 L250 F262 C270 V271 E276 V277 A278 L322	V233-L274 HydrophobicContact CG1-CD2 4.35Å; V233-L274 HydrophobicContact CG2-CD2 3.68Å; L250-L274 HydrophobicContact CD2-CD2 3.76Å; L250-L274 HydrophobicContact CD2-CG 3.91Å; F262-L274 HydrophobicContact CB-CD1 4.29Å; F262-L274 HydrophobicContact CB-CD2 3.86Å; F262-L274 HydrophobicContact CD1-CD1 4.29Å; F262-L274 HydrophobicContact CD1-CD2 3.77Å; F262-L274 HydrophobicContact CD1-CG 4.45Å; F262-L274 HydrophobicContact CG-CD2 4.12Å; C270-L274 WeakPolarHBondContact O-CB 3.3Å; C270-L274 VanDerWaalsContact O-CG 3.3Å; C270-L274 WeakPolarHBondContact O-CG 3.41Å; C270-L274 PolarHBondContact O-N 3.24Å; C270-L274 VanDerWaalsContact SG-CD1 3.5Å; V271-L274 PolarHBondContact O-N 2.94Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-V277 PolarHBondContact O-N 3.39Å; L274-A278 WeakPolarHBondContact O-CB 3.45Å; L274-A278 PolarHBondContact O-N 3.48Å; L274-L322 HydrophobicContact CB-CD1 3.58Å; L274-L322 HydrophobicContact CD1-CD1 3.61Å; L274-L322 HydrophobicContact CD1-CD2 3.89Å; L274-L322 HydrophobicContact CD1-CG 4.44Å; L274-L322 HydrophobicContact CG-CD1 4.1Å
275	Q	95.9	Very high	95.2	Very high	63 Å²	63	45 Å²	45	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-39.1	169.3	-172.4	160	26.8	0	0	111.8	V271 T272 N273 A278 R279 L324 K325	V271-Q275 WeakPolarHBondContact O-CB 3.22Å; V271-Q275 PolarHBondContact O-N 2.86Å; T272-Q275 WeakPolarHBondContact O-CB 3.48Å; T272-Q275 PolarHBondContact O-N 2.9Å; N273-Q275 VanDerWaalsContact C-N 3.31Å; N273-Q275 PolarHBondContact O-N 3.03Å; Q275-A278 PolarHBondContact O-N 2.99Å; Q275-R279 WeakPolarHBondContact O-CB 3.17Å; Q275-R279 PolarHBondContact O-N 2.89Å; Q275-L324 HydrophobicContact CB-CD2 3.86Å; Q275-L324 HydrophobicContact CG-CD2 4.46Å; Q275-K325 PolarHBondContact NE2-O 2.69Å
276	E	96.7	Very high	95.1	Very high	71 Å²	71	46 Å²	46	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-69.7	-37.6	173.9	178.9	60.6	-174	0	0	111.9	L246 T272 N273 L274 R279 I280	L246-E276 HydrophobicContact CD2-CG 3.95Å; T272-E276 PolarHBondContact O-N 3.34Å; N273-E276 WeakPolarHBondContact O-CB 3.35Å; N273-E276 PolarHBondContact O-N 3.4Å; N273-E276 VanDerWaalsContact O-N 3.12Å; L274-E276 VanDerWaalsContact C-N 3.32Å; E276-R279 PolarHBondContact O-N 2.84Å; E276-R279 IonicContact OE1-CZ 2.73Å; E276-R279 IonicContact OE1-NE 3.95Å; E276-R279 PolarHBondContact OE1-NE 2.83Å; E276-R279 IonicContact OE1-NH2 3.7Å; E276-R279 PolarHBondContact OE1-NH2 3.18Å; E276-R279 IonicContact OE2-CZ 3.55Å; E276-R279 IonicContact OE2-NE 2.72Å; E276-R279 PolarHBondContact OE2-NE 3.49Å; E276-R279 IonicContact OE2-NH2 3.53Å; E276-I280 HydrophobicContact CG-CD1 3.96Å; E276-I280 VanDerWaalsContact O-CG1 3.3Å; E276-I280 WeakPolarHBondContact O-CG1 3.5Å; E276-I280 PolarHBondContact O-N 2.96Å
277	V	97.9	Very high	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-48.1	171.8	178.9	0	0	0	0	111.1	V233 L242 L246 L250 N273 L274 R279 I280 V281 F319	V233-V277 HydrophobicContact CG1-CG2 4.44Å; V233-V277 HydrophobicContact CG2-CG1 4.22Å; L242-V277 HydrophobicContact CD1-CG1 4.24Å; L242-V277 HydrophobicContact CD1-CG2 3.8Å; L242-V277 HydrophobicContact CD2-CB 4.49Å; L242-V277 HydrophobicContact CD2-CG1 4.31Å; L242-V277 HydrophobicContact CD2-CG2 4.05Å; L246-V277 HydrophobicContact CD2-CG2 4.26Å; L250-V277 HydrophobicContact CD1-CG2 3.77Å; L250-V277 HydrophobicContact CD2-CG2 4.31Å; N273-V277 WeakPolarHBondContact O-CG2 3.34Å; N273-V277 PolarHBondContact O-N 2.87Å; L274-V277 PolarHBondContact O-N 3.39Å; V277-R279 VanDerWaalsContact C-N 3.3Å; V277-R279 PolarHBondContact O-N 3.34Å; V277-I280 PolarHBondContact O-N 3.24Å; V277-V281 HydrophobicContact CG1-CG2 4.18Å; V277-V281 WeakPolarHBondContact O-CG2 3.39Å; V277-V281 PolarHBondContact O-N 2.81Å; V277-F319 HydrophobicContact CG1-CZ 4.35Å
278	A	94.7	Very high	95.1	Very high	21 Å²	21	39.1 Å²	39.1	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-42.2	176.9	0	0	0	0	0	111.9	L274 Q275 G282 F319 L324	L274-A278 WeakPolarHBondContact O-CB 3.45Å; L274-A278 PolarHBondContact O-N 3.48Å; Q275-A278 PolarHBondContact O-N 2.99Å; A278-G282 PolarHBondContact O-N 3.44Å; A278-F319 HydrophobicContact CB-CD2 3.74Å; A278-F319 HydrophobicContact CB-CE2 3.94Å; A278-L324 HydrophobicContact CB-CD1 4.19Å
279	R	93.1	Very high	95.1	Very high	95 Å²	95	36 Å²	36	36%	0.358	20%	0.199	S	C	.	.	H	α-helix	trans	-63.5	-43.4	175.7	-167.3	-159.2	65.1	71.3	0.3	112	Q275 E276 V277 N283 S284	Q275-R279 WeakPolarHBondContact O-CB 3.17Å; Q275-R279 PolarHBondContact O-N 2.89Å; E276-R279 PolarHBondContact O-N 2.84Å; E276-R279 IonicContact OE1-CZ 2.73Å; E276-R279 IonicContact OE1-NE 3.95Å; E276-R279 PolarHBondContact OE1-NE 2.83Å; E276-R279 IonicContact OE1-NH2 3.7Å; E276-R279 PolarHBondContact OE1-NH2 3.18Å; E276-R279 IonicContact OE2-CZ 3.55Å; E276-R279 IonicContact OE2-NE 2.72Å; E276-R279 PolarHBondContact OE2-NE 3.49Å; E276-R279 IonicContact OE2-NH2 3.53Å; V277-R279 VanDerWaalsContact C-N 3.3Å; V277-R279 PolarHBondContact O-N 3.34Å; R279-N283 HydrophobicContact CG-CB 4.31Å; R279-N283 CarbonylContact O-C 3.05Å; R279-N283 VanDerWaalsContact O-CA 3.28Å; R279-N283 WeakPolarHBondContact O-CA 3.22Å; R279-N283 PolarHBondContact O-N 3.27Å; R279-S284 PolarHBondContact O-N 2.66Å
280	I	95.2	Very high	95.2	Very high	22 Å²	22	32.2 Å²	32.2	11%	0.113	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-49.1	177.4	-70.1	165.8	0	0	0	110.5	L241 L242 L246 E276 V277 S284 L286	L241-I280 HydrophobicContact CB-CG2 4Å; L242-I280 HydrophobicContact CD2-CB 4.4Å; L242-I280 HydrophobicContact CD2-CD1 3.77Å; L242-I280 HydrophobicContact CD2-CG2 4.2Å; L246-I280 HydrophobicContact CD2-CD1 3.91Å; E276-I280 HydrophobicContact CG-CD1 3.96Å; E276-I280 VanDerWaalsContact O-CG1 3.3Å; E276-I280 WeakPolarHBondContact O-CG1 3.5Å; E276-I280 PolarHBondContact O-N 2.96Å; V277-I280 PolarHBondContact O-N 3.24Å; I280-S284 VanDerWaalsContact O-CB 3.3Å; I280-S284 WeakPolarHBondContact O-CB 3.28Å; I280-S284 PolarHBondContact O-OG 3.5Å; I280-L286 HydrophobicContact CG2-CD1 4.44Å
281	V	94.8	Very high	95.2	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-71	-44.6	-174.5	172	0	0	0	0	112.5	L232 A236 V277 I288 M415	L232-V281 HydrophobicContact CD1-CG1 4.12Å; L232-V281 HydrophobicContact CD1-CG2 4.47Å; L232-V281 HydrophobicContact CD2-CG1 4.37Å; A236-V281 HydrophobicContact CB-CG2 3.98Å; V277-V281 HydrophobicContact CG1-CG2 4.18Å; V277-V281 WeakPolarHBondContact O-CG2 3.39Å; V277-V281 PolarHBondContact O-N 2.81Å; V281-I288 HydrophobicContact CG1-CD1 3.78Å; V281-I288 HydrophobicContact CG1-CG1 3.82Å; V281-M415 HydrophobicContact CG1-CB 4.26Å; V281-M415 HydrophobicContact CG1-CE 4.32Å; V281-M415 HydrophobicContact CG1-SD 4.34Å
282	G	89.1	Confident	95.3	Very high	37 Å²	37	39.7 Å²	39.7	38%	0.381	21%	0.21	S	C	.	.	H	α-helix	trans	-112.1	-12.1	-170.5	0	0	0	0	0	116.5	A278	A278-G282 PolarHBondContact O-N 3.44Å
283	N	87.4	Confident	95.3	Very high	63 Å²	63	36.9 Å²	36.9	34%	0.337	20%	0.197	S	C	.	.	S	Bend	trans	-137.5	33	-173.1	-52.8	124	0	0	0	113.6	R279	R279-N283 HydrophobicContact CG-CB 4.31Å; R279-N283 CarbonylContact O-C 3.05Å; R279-N283 VanDerWaalsContact O-CA 3.28Å; R279-N283 WeakPolarHBondContact O-CA 3.22Å; R279-N283 PolarHBondContact O-N 3.27Å
284	S	90.3	Very high	95.1	Very high	36 Å²	36	41.4 Å²	41.4	25%	0.252	23%	0.227	S	C	.	.	S	Bend	trans	-119.7	-4.2	178.3	73.4	0	0	0	0	114.5	R279 I280 L286 V299	R279-S284 PolarHBondContact O-N 2.66Å; I280-S284 VanDerWaalsContact O-CB 3.3Å; I280-S284 WeakPolarHBondContact O-CB 3.28Å; I280-S284 PolarHBondContact O-OG 3.5Å; S284-L286 PolarHBondContact OG-N 2.97Å; S284-V299 WeakPolarHBondContact O-CG1 3.1Å
285	G	90.6	Very high	94.9	Very high	18 Å²	18	42.1 Å²	42.1	19%	0.186	23%	0.232	C	C	.	.	S	Bend	trans	92.6	-0.2	-171	0	0	0	0	0	115.5	C295	G285-C295 VanDerWaalsContact O-CB 3.27Å; G285-C295 WeakPolarHBondContact O-CB 3.45Å
286	L	94.8	Very high	94.5	Very high	48 Å²	48	40.9 Å²	40.9	25%	0.251	23%	0.232	S	C	.	.			trans	-65.5	143.6	161.7	-66.6	178.9	0	0	0	110.7	L241 I280 S284 I288 L291 C345 M415	L241-L286 HydrophobicContact CD1-CD1 3.88Å; L241-L286 HydrophobicContact CD2-CD1 3.88Å; L241-L286 HydrophobicContact CG-CD1 4.34Å; I280-L286 HydrophobicContact CG2-CD1 4.44Å; S284-L286 PolarHBondContact OG-N 2.97Å; L286-I288 PolarHBondContact O-N 3.29Å; L286-L291 HydrophobicContact CD1-CD1 4.33Å; L286-L291 HydrophobicContact CD2-CD1 4.18Å; L286-C345 PolarHBondContact O-SG 2.99Å; L286-C345 VanDerWaalsContact O-SG 3.42Å; L286-M415 HydrophobicContact CB-CE 4.3Å
287	N	96.3	Very high	93.8	Very high	18 Å²	18	41.1 Å²	41.1	10%	0.096	25%	0.254	C	S	.	.			trans	-84.4	108.5	170.9	-175.5	-19.9	0	0	0	109.3	Y289 N290 L291 P294 C295 C345	N287-Y289 PolarHBondContact O-N 3.4Å; N287-Y289 PolarHBondContact OD1-N 3.4Å; N287-N290 WeakPolarHBondContact CB-O 3.14Å; N287-N290 CarbonylContact O-C 3.52Å; N287-N290 PolarHBondContact O-N 2.99Å; N287-N290 PolarHBondContact OD1-N 2.9Å; N287-L291 PolarHBondContact O-N 3.39Å; N287-P294 PolarHBondContact ND2-O 3.16Å; N287-C295 HydrophobicContact CB-CB 4.36Å; N287-C345 HydrophobicContact CB-CB 3.97Å
288	I	96.9	Very high	92.8	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.087	27%	0.271	C	S	.	.	S	Bend	trans	-65.9	-23.3	-178.3	-161.5	174.5	0	0	0	113	V281 L286 I318 P344 M415 A416	V281-I288 HydrophobicContact CG1-CD1 3.78Å; V281-I288 HydrophobicContact CG1-CG1 3.82Å; L286-I288 PolarHBondContact O-N 3.29Å; I288-I318 HydrophobicContact CD1-CD1 3.58Å; I288-P344 HydrophobicContact CG2-CB 3.31Å; I288-P344 HydrophobicContact CG2-CG 3.83Å; I288-M415 HydrophobicContact CG1-CB 3.8Å; I288-M415 WeakPolarHBondContact O-CA 3.24Å; I288-M415 VanDerWaalsContact O-CB 3.31Å; I288-M415 WeakPolarHBondContact O-CB 3.47Å; I288-M415 PolarHBondContact O-N 2.91Å; I288-A416 HydrophobicContact CG1-CB 4.32Å; I288-A416 PolarHBondContact O-N 3.32Å
289	Y	97.9	Very high	91.6	Very high	19 Å²	19	47.3 Å²	47.3	8%	0.075	30%	0.296	C	S	.	.	S	Bend	trans	-86	-24.2	177.9	-68.9	-37.9	0	0	0	113.5	N287 L315 P343 P344 T346 A416 G470 H471	N287-Y289 PolarHBondContact O-N 3.4Å; N287-Y289 PolarHBondContact OD1-N 3.4Å; Y289-L315 WeakPolarHBondContact OH-CD1 3.44Å; Y289-P343 HydrophobicContact CE2-CB 3.67Å; Y289-P344 HydrophobicContact CD2-CB 4.16Å; Y289-P344 VanDerWaalsContact CD2-O 3.23Å; Y289-P344 WeakPolarHBondContact CD2-O 3.2Å; Y289-P344 HydrophobicContact CE2-CB 3.89Å; Y289-P344 HydrophobicContact CE2-CG 3.95Å; Y289-P344 WeakPolarHBondContact OH-CD 3.39Å; Y289-T346 HydrophobicContact CD2-CG2 4.21Å; Y289-T346 HydrophobicContact CE2-CG2 4.3Å; Y289-A416 HydrophobicContact CD1-CB 3.61Å; Y289-A416 HydrophobicContact CE1-CB 3.59Å; Y289-G470 CarbonylContact O-C 3.48Å; Y289-G470 WeakPolarHBondContact O-CA 3.15Å; Y289-H471 HydrophobicContact CD1-CB 3.42Å; Y289-H471 VanDerWaalsContact CD1-CB 3.42Å; Y289-H471 AromaticContact CD1-CD2 3.46Å; Y289-H471 VanDerWaalsContact CD1-CD2 3.46Å; Y289-H471 WeakPolarHBondContact CD1-CD2 3.48Å; Y289-H471 AromaticContact CD1-CG 3.35Å; Y289-H471 AromaticContact CD1-ND1 3.88Å; Y289-H471 HydrophobicContact CE1-CB 4.19Å; Y289-H471 AromaticContact CE1-CD2 3.26Å; Y289-H471 WeakPolarHBondContact CE1-CD2 3.28Å; Y289-H471 AromaticContact CE1-CE1 3.98Å; Y289-H471 AromaticContact CE1-CG 3.64Å; Y289-H471 AromaticContact CE1-NE2 3.47Å; Y289-H471 WeakPolarHBondContact CE1-NE2 3.06Å; Y289-H471 HydrophobicContact CG-CB 3.75Å; Y289-H471 AromaticContact CZ-CD2 3.92Å; Y289-H471 PolarHBondContact O-N 2.99Å
290	N	98.5	Very high	90.2	Very high	18 Å²	18	44.5 Å²	44.5	10%	0.096	29%	0.291	C	S	.	.			trans	-151.9	103.7	172.8	-177.9	-35.7	0	0	0	108.4	N287 Y292 A293 V413 D476	N287-N290 WeakPolarHBondContact CB-O 3.14Å; N287-N290 CarbonylContact O-C 3.52Å; N287-N290 PolarHBondContact O-N 2.99Å; N287-N290 PolarHBondContact OD1-N 2.9Å; N290-Y292 PolarHBondContact O-N 2.71Å; N290-Y292 PolarHBondContact OD1-N 2.75Å; N290-Y292 VanDerWaalsContact OD1-N 3.15Å; N290-A293 HydrophobicContact CB-CB 3.72Å; N290-A293 WeakPolarHBondContact O-CB 3.5Å; N290-A293 PolarHBondContact O-N 3.41Å; N290-A293 PolarHBondContact OD1-N 2.81Å; N290-V413 HydrophobicContact CB-CG2 4.43Å; N290-V413 VanDerWaalsContact OD1-CG2 3.3Å; N290-V413 WeakPolarHBondContact OD1-CG2 3.31Å; N290-D476 PolarHBondContact ND2-OD2 3.49Å
291	L	98.6	Very high	88.4	Confident	15 Å²	15	47.6 Å²	47.6	8%	0.079	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.4	-173.3	172	60	0	0	0	113.6	F235 H239 L241 L286 N287 V413 M415	F235-L291 HydrophobicContact CE1-CD2 4.13Å; H239-L291 HydrophobicContact CB-CD2 3.62Å; L241-L291 HydrophobicContact CD1-CD1 4.01Å; L241-L291 HydrophobicContact CD2-CD1 3.68Å; L241-L291 HydrophobicContact CD2-CD2 4.37Å; L241-L291 HydrophobicContact CG-CD1 4.43Å; L286-L291 HydrophobicContact CD1-CD1 4.33Å; L286-L291 HydrophobicContact CD2-CD1 4.18Å; N287-L291 PolarHBondContact O-N 3.39Å; L291-V413 PolarHBondContact N-O 2.04Å; L291-M415 HydrophobicContact CB-CE 4.3Å; L291-M415 HydrophobicContact CB-CG 4.5Å; L291-M415 HydrophobicContact CB-SD 4.36Å; L291-M415 HydrophobicContact CD1-CE 3.85Å; L291-M415 HydrophobicContact CD1-SD 4.02Å
292	Y	98.3	Very high	86.6	Confident	158 Å²	158	52.8 Å²	52.8	62%	0.62	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-1.5	-176.4	-53.8	-58.7	0	0	0	113.5	N290 V413	N290-Y292 PolarHBondContact O-N 2.71Å; N290-Y292 PolarHBondContact OD1-N 2.75Å; N290-Y292 VanDerWaalsContact OD1-N 3.15Å; Y292-V413 HydrophobicContact CD2-CB 3.77Å; Y292-V413 HydrophobicContact CD2-CG1 3.63Å; Y292-V413 HydrophobicContact CD2-CG2 4.17Å; Y292-V413 HydrophobicContact CE2-CB 3.85Å; Y292-V413 HydrophobicContact CE2-CG1 3.45Å; Y292-V413 VanDerWaalsContact CE2-CG1 3.45Å
293	A	97.3	Very high	85.5	Confident	33 Å²	33	54.1 Å²	54.1	27%	0.273	33%	0.333	S	S	.	.	S	Bend	trans	-89.2	153.9	174.3	0	0	0	0	0	111.7	N290	N290-A293 HydrophobicContact CB-CB 3.72Å; N290-A293 WeakPolarHBondContact O-CB 3.5Å; N290-A293 PolarHBondContact O-N 3.41Å; N290-A293 PolarHBondContact OD1-N 2.81Å
294	P	95.6	Very high	84.9	Confident	115 Å²	115	53.4 Å²	53.4	75%	0.747	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-63.2	152.6	167.8	29	-35.4	0	0	0	111.3	N287	N287-P294 PolarHBondContact ND2-O 3.16Å
295	C	92.8	Very high	84.2	Confident	14 Å²	14	59.3 Å²	59.3	10%	0.095	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-86.5	120.7	168	-177	0	0	0	0	110.2	G285 N287 G297 G298 C345	G285-C295 VanDerWaalsContact O-CB 3.27Å; G285-C295 WeakPolarHBondContact O-CB 3.45Å; N287-C295 HydrophobicContact CB-CB 4.36Å; C295-G297 PolarHBondContact O-N 2.65Å; C295-G298 PolarHBondContact O-N 3.05Å; C295-C345 HydrophobicContact CB-CB 3.77Å; C295-C345 WeakPolarHBondContact CB-SG 3.47Å; C295-C345 VanDerWaalsContact SG-CA 3.55Å; C295-C345 WeakPolarHBondContact SG-CB 3.32Å; C295-C345 CovalentContact SG-SG 2.04Å; C295-C345 PolarHBondContact SG-SG 2.68Å
296	A	88.8	Confident	83.5	Confident	37 Å²	37	61.1 Å²	61.1	31%	0.306	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	129.8	173.8	0	0	0	0	0	110.1	C345 N347	A296-C345 WeakPolarHBondContact CB-O 3.48Å; A296-C345 PolarHBondContact N-O 2.89Å; A296-N347 HydrophobicContact CB-CB 4.11Å
297	G	80.1	Confident	82.8	Confident	76 Å²	76	68 Å²	68	78%	0.784	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-6.1	-169.5	0	0	0	0	0	114.8	C295	C295-G297 PolarHBondContact O-N 2.65Å
298	G	77.3	Confident	82.2	Confident	36 Å²	36	73.6 Å²	73.6	37%	0.371	41%	0.405	S	S	.	.	S	Bend	trans	78.1	-157	178.2	0	0	0	0	0	113.2	C295 P300	C295-G298 PolarHBondContact O-N 3.05Å; G298-P300 WeakPolarHBondContact O-CD 3.34Å
299	V	70.8	Confident	81.7	Confident	116 Å²	116	74 Å²	74	70%	0.703	41%	0.409	S	S	*	.	S	Bend	trans	-75.3	110.6	178.9	176.9	0	0	0	0	110	S284	S284-V299 WeakPolarHBondContact O-CG1 3.1Å
300	P	63.2	Low	81.1	Confident	36 Å²	36	73.2 Å²	73.2	23%	0.234	41%	0.406	C	S	.	.			trans	-82.2	150.6	-175.6	-13.8	32.1	0	0	0	112.6	G298	G298-P300 WeakPolarHBondContact O-CD 3.34Å
301	S	56.8	Low	80.6	Confident	87 Å²	87	72.4 Å²	72.4	61%	0.608	40%	0.401	S	S	*	.			trans	-67.7	168.4	141	42.1	0	0	0	0	110.1	F303	S301-F303 CarbonylContact O-C 3.21Å; S301-F303 PolarHBondContact O-N 3.42Å; S301-F303 PolarHBondContact OG-O 2.95Å
302	H	56.7	Low	80	Confident	112 Å²	112	71.9 Å²	71.9	52%	0.519	40%	0.399	S	S	.	.	S	Bend	trans	-51.4	-17.6	-179.7	-65.2	-69.7	0	0	0	115.8
303	F	66.9	Low	79.5	Confident	65 Å²	65	65.7 Å²	65.7	29%	0.285	38%	0.376	S	S	.	.	S	Bend	trans	-132.6	149.7	169.7	-28.2	-63.7	0	0	0	108	S301 V310 T327	S301-F303 CarbonylContact O-C 3.21Å; S301-F303 PolarHBondContact O-N 3.42Å; S301-F303 PolarHBondContact OG-O 2.95Å; F303-V310 HydrophobicContact CB-CG1 4.38Å; F303-T327 HydrophobicContact CD1-CG2 4.36Å; F303-T327 HydrophobicContact CE1-CG2 3.3Å; F303-T327 VanDerWaalsContact CE1-OG1 3.27Å; F303-T327 WeakPolarHBondContact CE1-OG1 3.38Å; F303-T327 HydrophobicContact CZ-CG2 3.57Å; F303-T327 WeakPolarHBondContact CZ-OG1 3.1Å
304	R	73.6	Confident	79.1	Confident	48 Å²	48	67.6 Å²	67.6	18%	0.181	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	161	73.3	-177.1	-164.1	94.2	-1.6	109.2	E306 V311 D342	R304-E306 IonicContact CZ-OE1 3.88Å; R304-E306 VanDerWaalsContact CZ-OE1 3.27Å; R304-E306 IonicContact NH1-OE1 3.49Å; R304-E306 PolarHBondContact NH1-OE1 3.49Å; R304-E306 IonicContact NH2-OE1 3.61Å; R304-E306 PolarHBondContact NH2-OE1 3.35Å; R304-V311 HydrophobicContact CG-CB 3.66Å; R304-V311 HydrophobicContact CG-CG1 4.2Å; R304-V311 HydrophobicContact CG-CG2 4.28Å; R304-V311 PolarHBondContact O-N 2.76Å; R304-D342 IonicContact CZ-OD2 2.67Å; R304-D342 IonicContact NE-OD2 2.74Å; R304-D342 IonicContact NH2-OD2 3.28Å; R304-D342 PolarHBondContact NH2-OD2 3.43Å
305	Y	76.8	Confident	78.9	Confident	159 Å²	159	62.7 Å²	62.7	62%	0.624	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.8	167.8	-74.3	-91.2	0	0	0	108.8	T309 V310	Y305-T309 WeakPolarHBondContact CA-O 3.27Å; Y305-V310 HydrophobicContact CD1-CG2 4.2Å; Y305-V310 HydrophobicContact CE1-CG2 3.62Å
306	E	74.4	Confident	78.8	Confident	56 Å²	56	62.8 Å²	62.8	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	96.8	172.3	-171.5	173.4	-89.1	0	0	108	R304 D308 T309 V311 R340	R304-E306 IonicContact CZ-OE1 3.88Å; R304-E306 VanDerWaalsContact CZ-OE1 3.27Å; R304-E306 IonicContact NH1-OE1 3.49Å; R304-E306 PolarHBondContact NH1-OE1 3.49Å; R304-E306 IonicContact NH2-OE1 3.61Å; R304-E306 PolarHBondContact NH2-OE1 3.35Å; E306-D308 PolarHBondContact O-N 2.89Å; E306-T309 PolarHBondContact N-O 3.08Å; E306-T309 WeakPolarHBondContact O-CB 3.08Å; E306-T309 PolarHBondContact O-N 2.95Å; E306-T309 VanDerWaalsContact O-N 3.12Å; E306-V311 HydrophobicContact CB-CG2 4.05Å; E306-R340 IonicContact OE1-NH2 3.6Å; E306-R340 IonicContact OE2-CZ 3.87Å; E306-R340 VanDerWaalsContact OE2-CZ 3.28Å; E306-R340 IonicContact OE2-NH1 3.46Å; E306-R340 PolarHBondContact OE2-NH1 3.37Å; E306-R340 IonicContact OE2-NH2 3.6Å; E306-R340 PolarHBondContact OE2-NH2 2.93Å
307	K	82.1	Confident	79.1	Confident	194 Å²	194	61.9 Å²	61.9	84%	0.843	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-123.3	-162.8	-53.1	171.2	-175.4	170.3	0	109	T309	K307-T309 VanDerWaalsContact C-N 3.33Å
308	D	83.1	Confident	79.7	Confident	134 Å²	134	59.8 Å²	59.8	72%	0.717	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	14	-178.8	-41.4	-49.3	0	0	0	113.1	E306	E306-D308 PolarHBondContact O-N 2.89Å
309	T	85	Confident	80.6	Confident	27 Å²	27	58.4 Å²	58.4	17%	0.166	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.5	179.7	-58.4	0	0	0	0	110.8	Y305 E306 K307 V311 K338 R340	Y305-T309 WeakPolarHBondContact CA-O 3.27Å; E306-T309 PolarHBondContact N-O 3.08Å; E306-T309 WeakPolarHBondContact O-CB 3.08Å; E306-T309 PolarHBondContact O-N 2.95Å; E306-T309 VanDerWaalsContact O-N 3.12Å; K307-T309 VanDerWaalsContact C-N 3.33Å; T309-V311 HydrophobicContact CG2-CG2 4.38Å; T309-K338 CarbonylContact C-O 3.46Å; T309-K338 WeakPolarHBondContact CA-O 2.96Å; T309-K338 HydrophobicContact CG2-CB 4.24Å; T309-R340 HydrophobicContact CG2-CB 3.94Å
310	V	86.4	Confident	81.5	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121	166.1	-178.7	0	0	0	0	108.3	F303 Y305 V312 L332 D337 K338 V339 R340	F303-V310 HydrophobicContact CB-CG1 4.38Å; Y305-V310 HydrophobicContact CD1-CG2 4.2Å; Y305-V310 HydrophobicContact CE1-CG2 3.62Å; V310-V312 HydrophobicContact CG1-CG2 4.46Å; V310-L332 HydrophobicContact CG1-CD1 4.3Å; V310-L332 HydrophobicContact CG1-CD2 4.29Å; V310-D337 HydrophobicContact CG2-CB 4.25Å; V310-K338 PolarHBondContact N-O 3.05Å; V310-V339 WeakPolarHBondContact O-CA 3.46Å; V310-R340 PolarHBondContact O-N 3.11Å
311	V	87.1	Confident	83	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.3	173.6	-177.9	0	0	0	0	109.4	R304 E306 T309 Q313 R340 D342	R304-V311 HydrophobicContact CG-CB 3.66Å; R304-V311 HydrophobicContact CG-CG1 4.2Å; R304-V311 HydrophobicContact CG-CG2 4.28Å; R304-V311 PolarHBondContact O-N 2.76Å; E306-V311 HydrophobicContact CB-CG2 4.05Å; T309-V311 HydrophobicContact CG2-CG2 4.38Å; V311-Q313 HydrophobicContact CG1-CG 4.19Å; V311-R340 WeakPolarHBondContact CA-O 3.28Å; V311-D342 HydrophobicContact CG1-CB 3.81Å; V311-D342 VanDerWaalsContact CG1-OD2 3.25Å; V311-D342 WeakPolarHBondContact CG1-OD2 3.35Å
312	V	87.8	Confident	84.4	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.9	172.8	177.4	0	0	0	0	108.8	V310 L332 V339 R340 M341 D342 F378	V310-V312 HydrophobicContact CG1-CG2 4.46Å; V312-L332 HydrophobicContact CG2-CD1 3.78Å; V312-V339 HydrophobicContact CG2-CG1 3.94Å; V312-R340 PolarHBondContact N-O 2.94Å; V312-M341 HydrophobicContact CG1-CE 3.9Å; V312-M341 VanDerWaalsContact O-CA 3.32Å; V312-M341 WeakPolarHBondContact O-CA 3.29Å; V312-D342 PolarHBondContact O-N 2.69Å; V312-D342 VanDerWaalsContact O-N 3.15Å; V312-F378 HydrophobicContact CB-CD2 4.41Å; V312-F378 HydrophobicContact CB-CE2 4.36Å; V312-F378 HydrophobicContact CG1-CE2 4.45Å; V312-F378 HydrophobicContact CG2-CD2 4.45Å; V312-F378 HydrophobicContact CG2-CE2 4.04Å
313	Q	87.6	Confident	85.8	Confident	29 Å²	29	53.3 Å²	53.3	14%	0.136	26%	0.258	C	S	.	.			trans	-123	-9.3	-179.8	-59.4	-177	-85	0	0	113.7	V311 L315 D342 P343 P344 C345	V311-Q313 HydrophobicContact CG1-CG 4.19Å; Q313-L315 PolarHBondContact O-N 2.79Å; Q313-D342 WeakPolarHBondContact CA-O 3.19Å; Q313-P343 PolarHBondContact NE2-O 3.18Å; Q313-P344 VanDerWaalsContact O-CD 3.24Å; Q313-P344 WeakPolarHBondContact O-CD 3.39Å; Q313-P344 VanDerWaalsContact O-CG 3.24Å; Q313-P344 WeakPolarHBondContact O-CG 3.37Å; Q313-C345 VanDerWaalsContact NE2-N 3.18Å
314	D	88.8	Confident	86.5	Confident	72 Å²	72	51.5 Å²	51.5	39%	0.385	25%	0.251	S	S	.	.			trans	-76.1	108.2	170.9	-179.9	14.4	0	0	0	109.9	G316 R326 M341	D314-G316 PolarHBondContact O-N 3.34Å; D314-G316 WeakPolarHBondContact OD1-CA 3.38Å; D314-G316 PolarHBondContact OD1-N 3.48Å; D314-R326 IonicContact OD2-NH1 2.69Å; D314-M341 VanDerWaalsContact O-CE 3.31Å; D314-M341 WeakPolarHBondContact O-CE 3.5Å
315	L	90.2	Very high	86.6	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.063	28%	0.28	C	S	.	.			trans	-74.6	-4.4	175.1	-60.7	179.3	0	0	0	113.3	Y289 Q313 M341 N381 R386	Y289-L315 WeakPolarHBondContact OH-CD1 3.44Å; Q313-L315 PolarHBondContact O-N 2.79Å; L315-M341 HydrophobicContact CD2-CE 4.29Å; L315-M341 HydrophobicContact CD2-CG 3.87Å; L315-M341 HydrophobicContact CD2-SD 3.55Å; L315-M341 VanDerWaalsContact CD2-SD 3.55Å; L315-N381 PolarHBondContact O-ND2 2.73Å; L315-N381 PolarHBondContact O-OD1 3.12Å; L315-R386 PolarHBondContact O-NH2 2.67Å
316	G	91.7	Very high	86.4	Confident	16 Å²	16	54.8 Å²	54.8	17%	0.165	27%	0.267	C	S	.	.	S	Bend	trans	81.8	19.4	168.7	0	0	0	0	0	116	D314 T320 R386	D314-G316 PolarHBondContact O-N 3.34Å; D314-G316 WeakPolarHBondContact OD1-CA 3.38Å; D314-G316 PolarHBondContact OD1-N 3.48Å; G316-T320 VanDerWaalsContact O-CG2 3.25Å; G316-T320 WeakPolarHBondContact O-CG2 3.26Å; G316-R386 PolarHBondContact O-NE 3.41Å
317	N	94.3	Very high	86.1	Confident	18 Å²	18	54.3 Å²	54.3	10%	0.096	27%	0.268	C	S	.	.			trans	-101	-21.5	-173.6	-61.3	-26.1	0	0	0	115	G99 L222 Y225 T320 R386	G99-N317 PolarHBondContact O-ND2 3.29Å; L222-N317 HydrophobicContact CD2-CB 3.88Å; Y225-N317 WeakPolarHBondContact CD1-O 3.39Å; Y225-N317 WeakPolarHBondContact CE1-O 3.49Å; N317-T320 WeakPolarHBondContact O-CG2 3.18Å; N317-R386 PolarHBondContact OD1-NE 2.73Å; N317-R386 PolarHBondContact OD1-NH2 3.3Å
318	I	93.9	Very high	85.6	Confident	33 Å²	33	54.5 Å²	54.5	17%	0.169	26%	0.264	C	S	.	.	S	Bend	trans	-99.2	145.8	-174.4	-55.7	173.2	0	0	0	109.9	L232 I288 T320 R326 A416	L232-I318 HydrophobicContact CD2-CD1 4.38Å; L232-I318 HydrophobicContact CD2-CG2 3.62Å; I288-I318 HydrophobicContact CD1-CD1 3.58Å; I318-T320 PolarHBondContact O-N 2.83Å; I318-R326 PolarHBondContact O-NH2 3.47Å; I318-A416 HydrophobicContact CD1-CB 4.49Å
319	F	94.5	Very high	85.1	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	51.2	36.5	178.8	-61.1	-48.2	0	0	0	114.2	D229 L232 V233 V277 A278 R321 L322 L324 R326	D229-F319 HydrophobicContact CB-CD1 3.95Å; D229-F319 HydrophobicContact CB-CE1 4.06Å; D229-F319 VanDerWaalsContact CG-N 3.29Å; D229-F319 PolarHBondContact OD1-N 3.28Å; D229-F319 WeakPolarHBondContact OD2-CA 3.44Å; D229-F319 PolarHBondContact OD2-N 3.46Å; D229-F319 VanDerWaalsContact OD2-N 3.16Å; L232-F319 HydrophobicContact CD2-CE2 4.25Å; L232-F319 HydrophobicContact CD2-CZ 4.04Å; L232-F319 HydrophobicContact CG-CZ 4.44Å; V233-F319 HydrophobicContact CG2-CE1 3.93Å; V233-F319 HydrophobicContact CG2-CZ 3.87Å; V277-F319 HydrophobicContact CG1-CZ 4.35Å; A278-F319 HydrophobicContact CB-CD2 3.74Å; A278-F319 HydrophobicContact CB-CE2 3.94Å; F319-R321 VanDerWaalsContact C-N 3.25Å; F319-R321 PolarHBondContact O-N 3Å; F319-L322 HydrophobicContact CB-CB 4.43Å; F319-L322 HydrophobicContact CB-CD1 3.92Å; F319-L322 HydrophobicContact CB-CG 4.29Å; F319-L322 HydrophobicContact CD1-CD1 3.69Å; F319-L322 HydrophobicContact CD1-CG 4.44Å; F319-L322 HydrophobicContact CE1-CD1 4.48Å; F319-L322 HydrophobicContact CG-CD1 3.91Å; F319-L322 PolarHBondContact O-N 3.09Å; F319-L324 HydrophobicContact CB-CD1 3.75Å; F319-L324 HydrophobicContact CD2-CD1 4.44Å; F319-L324 HydrophobicContact CG-CD1 4.38Å; F319-R326 PolarHBondContact O-NH2 3.28Å
320	T	91.2	Very high	84.4	Confident	48 Å²	48	53.1 Å²	53.1	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.1	-170	61.8	0	0	0	0	114.3	Y225 G316 N317 I318	Y225-T320 HydrophobicContact CD1-CG2 4.2Å; Y225-T320 HydrophobicContact CE1-CG2 4.09Å; G316-T320 VanDerWaalsContact O-CG2 3.25Å; G316-T320 WeakPolarHBondContact O-CG2 3.26Å; N317-T320 WeakPolarHBondContact O-CG2 3.18Å; I318-T320 PolarHBondContact O-N 2.83Å
321	R	93.1	Very high	83.7	Confident	107 Å²	107	55 Å²	55	40%	0.404	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-6.4	178	-61.2	-57.9	-172.9	176.9	-8	114.8	Y263 D264 K266 F319	Y263-R321 HydrophobicContact CD2-CB 4.18Å; Y263-R321 HydrophobicContact CD2-CG 4.1Å; Y263-R321 HydrophobicContact CE1-CG 4.06Å; Y263-R321 HydrophobicContact CE2-CB 3.93Å; Y263-R321 HydrophobicContact CE2-CG 3.35Å; Y263-R321 CarbonylContact O-C 3.5Å; Y263-R321 WeakPolarHBondContact O-CB 3.3Å; Y263-R321 WeakPolarHBondContact OH-CG 3.29Å; D264-R321 HydrophobicContact CB-CB 3.5Å; D264-R321 VanDerWaalsContact CB-CB 3.5Å; D264-R321 HydrophobicContact CB-CG 4.29Å; K266-R321 PolarHBondContact NZ-O 2.9Å; F319-R321 VanDerWaalsContact C-N 3.25Å; F319-R321 PolarHBondContact O-N 3Å
322	L	87.6	Confident	83.2	Confident	9 Å²	9	56.2 Å²	56.2	5%	0.047	27%	0.273	C	S	.	.	S	Bend	trans	-78.6	137.6	171.8	-64.6	-174.2	0	0	0	110.5	Y263 L274 F319 L324	Y263-L322 VanDerWaalsContact O-CD2 3.26Å; Y263-L322 WeakPolarHBondContact O-CD2 3.5Å; Y263-L322 WeakPolarHBondContact O-CG 3.28Å; Y263-L322 PolarHBondContact O-N 2.89Å; L274-L322 HydrophobicContact CB-CD1 3.58Å; L274-L322 HydrophobicContact CD1-CD1 3.61Å; L274-L322 HydrophobicContact CD1-CD2 3.89Å; L274-L322 HydrophobicContact CD1-CG 4.44Å; L274-L322 HydrophobicContact CG-CD1 4.1Å; F319-L322 HydrophobicContact CB-CB 4.43Å; F319-L322 HydrophobicContact CB-CD1 3.92Å; F319-L322 HydrophobicContact CB-CG 4.29Å; F319-L322 HydrophobicContact CD1-CD1 3.69Å; F319-L322 HydrophobicContact CD1-CG 4.44Å; F319-L322 HydrophobicContact CE1-CD1 4.48Å; F319-L322 HydrophobicContact CG-CD1 3.91Å; F319-L322 PolarHBondContact O-N 3.09Å; L322-L324 HydrophobicContact CB-CD1 4.27Å; L322-L324 HydrophobicContact CB-CD2 3.95Å; L322-L324 HydrophobicContact CB-CG 3.69Å; L322-L324 HydrophobicContact CD1-CD1 4.4Å; L322-L324 HydrophobicContact CD1-CD2 4.15Å; L322-L324 HydrophobicContact CD1-CG 4.4Å; L322-L324 PolarHBondContact O-N 2.85Å
323	P	85.4	Confident	82.6	Confident	80 Å²	80	59.7 Å²	59.7	52%	0.519	29%	0.291	S	S	.	.			trans	-78.1	53.3	176.2	33.3	-33.7	0	0	0	111.8	K266 V271	K266-P323 HydrophobicContact CD-CG 4.44Å; V271-P323 HydrophobicContact CG1-CG 3.99Å; V271-P323 HydrophobicContact CG2-CG 3.84Å
324	L	81.7	Confident	82.1	Confident	27 Å²	27	66.9 Å²	66.9	14%	0.141	32%	0.317	C	S	.	.			trans	-71.2	147.8	179.3	-56.1	-178.6	0	0	0	111.3	V271 Q275 A278 F319 L322 R326	V271-L324 HydrophobicContact CG1-CD2 4.24Å; Q275-L324 HydrophobicContact CB-CD2 3.86Å; Q275-L324 HydrophobicContact CG-CD2 4.46Å; A278-L324 HydrophobicContact CB-CD1 4.19Å; F319-L324 HydrophobicContact CB-CD1 3.75Å; F319-L324 HydrophobicContact CD2-CD1 4.44Å; F319-L324 HydrophobicContact CG-CD1 4.38Å; L322-L324 HydrophobicContact CB-CD1 4.27Å; L322-L324 HydrophobicContact CB-CD2 3.95Å; L322-L324 HydrophobicContact CB-CG 3.69Å; L322-L324 HydrophobicContact CD1-CD1 4.4Å; L322-L324 HydrophobicContact CD1-CD2 4.15Å; L322-L324 HydrophobicContact CD1-CG 4.4Å; L322-L324 PolarHBondContact O-N 2.85Å; L324-R326 HydrophobicContact CB-CG 4.44Å; L324-R326 PolarHBondContact O-N 2.82Å
325	K	75.6	Confident	81.5	Confident	182 Å²	182	66.6 Å²	66.6	79%	0.791	32%	0.321	S	S	*	.			trans	-73	98.6	167.5	-51.6	173	-178.4	169.3	0	108.2	Q275	Q275-K325 PolarHBondContact NE2-O 2.69Å
326	R	72.7	Confident	80.8	Confident	94 Å²	94	69.5 Å²	69.5	36%	0.355	35%	0.353	S	S	.	.			trans	-92.9	156.6	175.8	-65	-179.6	178.1	-124.4	-5.2	111.1	D314 I318 F319 L324	D314-R326 IonicContact OD2-NH1 2.69Å; I318-R326 PolarHBondContact O-NH2 3.47Å; F319-R326 PolarHBondContact O-NH2 3.28Å; L324-R326 HydrophobicContact CB-CG 4.44Å; L324-R326 PolarHBondContact O-N 2.82Å
327	T	68.9	Low	80.3	Confident	46 Å²	46	72.7 Å²	72.7	28%	0.282	37%	0.367	S	S	.	.			trans	-58.9	137.7	169.2	-59.5	0	0	0	0	110.5	F303 H329	F303-T327 HydrophobicContact CD1-CG2 4.36Å; F303-T327 HydrophobicContact CE1-CG2 3.3Å; F303-T327 VanDerWaalsContact CE1-OG1 3.27Å; F303-T327 WeakPolarHBondContact CE1-OG1 3.38Å; F303-T327 HydrophobicContact CZ-CG2 3.57Å; F303-T327 WeakPolarHBondContact CZ-OG1 3.1Å; T327-H329 VanDerWaalsContact C-N 3.27Å; T327-H329 PolarHBondContact O-CD2 3.04Å; T327-H329 VanDerWaalsContact O-CD2 3.26Å; T327-H329 PolarHBondContact O-N 3.25Å
328	W	70.8	Confident	79.8	Confident	199 Å²	199	78.9 Å²	78.9	75%	0.754	39%	0.393	S	S	*	.			trans	-76	76.9	172.5	-79	32.2	0	0	0	110.7	Q330 A331	W328-Q330 PolarHBondContact O-N 3.44Å; W328-A331 HydrophobicContact CB-CB 4.02Å; W328-A331 WeakPolarHBondContact O-CA 3.47Å; W328-A331 VanDerWaalsContact O-CB 3.24Å; W328-A331 WeakPolarHBondContact O-CB 3.36Å; W328-A331 PolarHBondContact O-N 2.99Å
329	H	73.6	Confident	79.5	Confident	34 Å²	34	79 Å²	79	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-58.1	-29.2	176.1	-62.5	-73	0	0	0	112.7	T327 A331 L332 F378 L382	T327-H329 VanDerWaalsContact C-N 3.27Å; T327-H329 PolarHBondContact O-CD2 3.04Å; T327-H329 VanDerWaalsContact O-CD2 3.26Å; T327-H329 PolarHBondContact O-N 3.25Å; H329-A331 PolarHBondContact O-N 2.85Å; H329-L332 WeakPolarHBondContact O-CB 3.48Å; H329-L332 PolarHBondContact O-N 2.74Å; H329-L332 VanDerWaalsContact O-N 3.08Å; H329-F378 HydrophobicContact CB-CE2 4.43Å; H329-F378 HydrophobicContact CB-CZ 4.3Å; H329-L382 HydrophobicContact CB-CD1 3.88Å
330	Q	69.4	Low	79.2	Confident	98 Å²	98	80.4 Å²	80.4	46%	0.458	40%	0.4	S	S	.	.	H	α-helix	trans	-67.4	-7.4	170.7	-65.6	-67.4	-12.1	0	0	114.4	W328 R334 L382	W328-Q330 PolarHBondContact O-N 3.44Å; Q330-R334 PolarHBondContact O-NE 2.85Å; Q330-R334 PolarHBondContact O-NH2 3Å; Q330-R334 VanDerWaalsContact O-NH2 3.1Å; Q330-L382 HydrophobicContact CG-CD1 4.46Å
331	A	72.4	Confident	79.2	Confident	40 Å²	40	78.2 Å²	78.2	33%	0.331	39%	0.386	S	S	.	.	H	α-helix	trans	-89.3	-30.1	168.5	0	0	0	0	0	111.8	W328 H329 L333 R334 S335	W328-A331 HydrophobicContact CB-CB 4.02Å; W328-A331 WeakPolarHBondContact O-CA 3.47Å; W328-A331 VanDerWaalsContact O-CB 3.24Å; W328-A331 WeakPolarHBondContact O-CB 3.36Å; W328-A331 PolarHBondContact O-N 2.99Å; H329-A331 PolarHBondContact O-N 2.85Å; A331-L333 VanDerWaalsContact C-N 3.31Å; A331-L333 PolarHBondContact O-N 3.42Å; A331-R334 CarbonylContact O-C 3.55Å; A331-R334 WeakPolarHBondContact O-CA 3.15Å; A331-R334 PolarHBondContact O-N 2.74Å; A331-S335 PolarHBondContact O-N 2.93Å; A331-S335 VanDerWaalsContact O-N 3.09Å
332	L	76.9	Confident	79.1	Confident	27 Å²	27	73.1 Å²	73.1	14%	0.141	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-37.1	176.6	-58.1	172.7	0	0	0	111.6	V310 V312 H329 R334 S335 V339	V310-L332 HydrophobicContact CG1-CD1 4.3Å; V310-L332 HydrophobicContact CG1-CD2 4.29Å; V312-L332 HydrophobicContact CG2-CD1 3.78Å; H329-L332 WeakPolarHBondContact O-CB 3.48Å; H329-L332 PolarHBondContact O-N 2.74Å; H329-L332 VanDerWaalsContact O-N 3.08Å; L332-R334 PolarHBondContact O-N 2.95Å; L332-R334 VanDerWaalsContact O-N 3.17Å; L332-S335 PolarHBondContact O-N 3.12Å; L332-S335 PolarHBondContact O-OG 2.94Å; L332-S335 VanDerWaalsContact O-OG 3.05Å; L332-V339 HydrophobicContact CB-CG2 3.94Å; L332-V339 HydrophobicContact CD1-CG1 4.49Å
333	L	75.1	Confident	79.3	Confident	76 Å²	76	73 Å²	73	40%	0.398	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-18.6	171.2	-67.7	-174.5	0	0	0	114.2	A331 F378 L379 L382	A331-L333 VanDerWaalsContact C-N 3.31Å; A331-L333 PolarHBondContact O-N 3.42Å; L333-F378 HydrophobicContact CD2-CD1 4.34Å; L333-F378 HydrophobicContact CD2-CE1 3.72Å; L333-F378 HydrophobicContact CG-CE1 4.25Å; L333-L379 HydrophobicContact CD1-CD2 4.3Å; L333-L379 HydrophobicContact CD2-CD2 3.53Å; L333-L382 HydrophobicContact CD1-CD2 3.57Å; L333-L382 HydrophobicContact CD2-CD2 4.5Å; L333-L382 HydrophobicContact CG-CD2 3.92Å
334	R	76.6	Confident	79.4	Confident	181 Å²	181	70.3 Å²	70.3	68%	0.683	35%	0.349	S	S	*	.	H	α-helix	trans	-104.3	-11.8	-176.8	-73.9	-178.8	-76.6	169.2	-3	113.6	Q330 A331 L332	Q330-R334 PolarHBondContact O-NE 2.85Å; Q330-R334 PolarHBondContact O-NH2 3Å; Q330-R334 VanDerWaalsContact O-NH2 3.1Å; A331-R334 CarbonylContact O-C 3.55Å; A331-R334 WeakPolarHBondContact O-CA 3.15Å; A331-R334 PolarHBondContact O-N 2.74Å; L332-R334 PolarHBondContact O-N 2.95Å; L332-R334 VanDerWaalsContact O-N 3.17Å
335	S	76.4	Confident	79.9	Confident	66 Å²	66	69.7 Å²	69.7	46%	0.462	35%	0.347	S	S	.	.	H	α-helix	trans	-77.6	-24.7	174.1	60.3	0	0	0	0	112.6	A331 L332 D337	A331-S335 PolarHBondContact O-N 2.93Å; A331-S335 VanDerWaalsContact O-N 3.09Å; L332-S335 PolarHBondContact O-N 3.12Å; L332-S335 PolarHBondContact O-OG 2.94Å; L332-S335 VanDerWaalsContact O-OG 3.05Å; S335-D337 VanDerWaalsContact C-N 3.28Å; S335-D337 WeakPolarHBondContact CB-OD2 3.21Å; S335-D337 PolarHBondContact OG-OD2 2.6Å
336	G	74.7	Confident	80.5	Confident	72 Å²	72	62.1 Å²	62.1	74%	0.742	32%	0.316	S	S	*	.			trans	83.1	3.5	-175.9	0	0	0	0	0	113.8
337	D	80.7	Confident	81.4	Confident	84 Å²	84	62.9 Å²	62.9	45%	0.449	33%	0.327	S	S	.	.			trans	-66.3	155.1	173.7	-57.4	-52.7	0	0	0	111.1	V310 S335 V339	V310-D337 HydrophobicContact CG2-CB 4.25Å; S335-D337 VanDerWaalsContact C-N 3.28Å; S335-D337 WeakPolarHBondContact CB-OD2 3.21Å; S335-D337 PolarHBondContact OG-OD2 2.6Å; D337-V339 PolarHBondContact O-N 2.88Å
338	K	84.8	Confident	82.6	Confident	147 Å²	147	60.9 Å²	60.9	64%	0.639	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	129	168.9	-68.4	177.4	-178.3	174.6	0	108.6	T309 V310	T309-K338 CarbonylContact C-O 3.46Å; T309-K338 WeakPolarHBondContact CA-O 2.96Å; T309-K338 HydrophobicContact CG2-CB 4.24Å; V310-K338 PolarHBondContact N-O 3.05Å
339	V	87.8	Confident	83.8	Confident	35 Å²	35	54.5 Å²	54.5	21%	0.212	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127	176.9	-168.3	0	0	0	0	109.5	V310 V312 L332 D337 F378	V310-V339 WeakPolarHBondContact O-CA 3.46Å; V312-V339 HydrophobicContact CG2-CG1 3.94Å; L332-V339 HydrophobicContact CB-CG2 3.94Å; L332-V339 HydrophobicContact CD1-CG1 4.49Å; D337-V339 PolarHBondContact O-N 2.88Å; V339-F378 HydrophobicContact CB-CD1 3.84Å; V339-F378 HydrophobicContact CB-CE1 3.93Å; V339-F378 HydrophobicContact CB-CG 4.45Å; V339-F378 HydrophobicContact CG1-CD1 3.58Å; V339-F378 HydrophobicContact CG1-CD2 4.04Å; V339-F378 HydrophobicContact CG1-CE1 3.57Å; V339-F378 HydrophobicContact CG1-CE2 4.05Å; V339-F378 HydrophobicContact CG1-CG 3.81Å; V339-F378 HydrophobicContact CG1-CZ 3.81Å; V339-F378 HydrophobicContact CG2-CE1 4.32Å
340	R	88.4	Confident	84.9	Confident	36 Å²	36	53.9 Å²	53.9	14%	0.136	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.8	169.3	-166.6	178.2	69.5	-126.6	-2.7	109.5	E306 T309 V310 V311 V312 D342 D374	E306-R340 IonicContact OE1-NH2 3.6Å; E306-R340 IonicContact OE2-CZ 3.87Å; E306-R340 VanDerWaalsContact OE2-CZ 3.28Å; E306-R340 IonicContact OE2-NH1 3.46Å; E306-R340 PolarHBondContact OE2-NH1 3.37Å; E306-R340 IonicContact OE2-NH2 3.6Å; E306-R340 PolarHBondContact OE2-NH2 2.93Å; T309-R340 HydrophobicContact CG2-CB 3.94Å; V310-R340 PolarHBondContact O-N 3.11Å; V311-R340 WeakPolarHBondContact CA-O 3.28Å; V312-R340 PolarHBondContact N-O 2.94Å; R340-D342 IonicContact CZ-OD1 3.27Å; R340-D342 IonicContact CZ-OD2 2.73Å; R340-D342 IonicContact NE-OD1 2.72Å; R340-D342 PolarHBondContact NE-OD1 3.4Å; R340-D342 IonicContact NE-OD2 2.73Å; R340-D342 IonicContact NH2-OD1 2.87Å; R340-D342 PolarHBondContact NH2-OD1 3.32Å; R340-D342 IonicContact NH2-OD2 3.57Å; R340-D342 PolarHBondContact NH2-OD2 3.23Å; R340-D374 WeakPolarHBondContact CD-OD1 3.18Å; R340-D374 HydrophobicContact CG-CB 4.44Å
341	M	90.8	Very high	86.3	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.5	167.4	-179.3	166.1	-93.3	0	0	109	V312 D314 L315 C376 F378 N381	V312-M341 HydrophobicContact CG1-CE 3.9Å; V312-M341 VanDerWaalsContact O-CA 3.32Å; V312-M341 WeakPolarHBondContact O-CA 3.29Å; D314-M341 VanDerWaalsContact O-CE 3.31Å; D314-M341 WeakPolarHBondContact O-CE 3.5Å; L315-M341 HydrophobicContact CD2-CE 4.29Å; L315-M341 HydrophobicContact CD2-CG 3.87Å; L315-M341 HydrophobicContact CD2-SD 3.55Å; L315-M341 VanDerWaalsContact CD2-SD 3.55Å; M341-C376 HydrophobicContact CB-CB 4.05Å; M341-C376 HydrophobicContact CG-CB 3.79Å; M341-C376 HydrophobicContact SD-CB 4.35Å; M341-F378 HydrophobicContact CB-CB 3.92Å; M341-F378 HydrophobicContact CB-CD2 4.5Å; M341-F378 HydrophobicContact CE-CD2 4.12Å; M341-N381 HydrophobicContact CE-CB 4.01Å; M341-N381 HydrophobicContact SD-CB 3.47Å; M341-N381 WeakPolarHBondContact SD-CB 3.25Å; M341-N381 VanDerWaalsContact SD-CG 3.57Å
342	D	91.3	Very high	87.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.271	C	S	.	.			trans	-113.6	146.5	168.6	-69.2	-28.7	0	0	0	107.9	R304 V311 V312 Q313 R340 T348	R304-D342 IonicContact CZ-OD2 2.67Å; R304-D342 IonicContact NE-OD2 2.74Å; R304-D342 IonicContact NH2-OD2 3.28Å; R304-D342 PolarHBondContact NH2-OD2 3.43Å; V311-D342 HydrophobicContact CG1-CB 3.81Å; V311-D342 VanDerWaalsContact CG1-OD2 3.25Å; V311-D342 WeakPolarHBondContact CG1-OD2 3.35Å; V312-D342 PolarHBondContact O-N 2.69Å; V312-D342 VanDerWaalsContact O-N 3.15Å; Q313-D342 WeakPolarHBondContact CA-O 3.19Å; R340-D342 IonicContact CZ-OD1 3.27Å; R340-D342 IonicContact CZ-OD2 2.73Å; R340-D342 IonicContact NE-OD1 2.72Å; R340-D342 PolarHBondContact NE-OD1 3.4Å; R340-D342 IonicContact NE-OD2 2.73Å; R340-D342 IonicContact NH2-OD1 2.87Å; R340-D342 PolarHBondContact NH2-OD1 3.32Å; R340-D342 IonicContact NH2-OD2 3.57Å; R340-D342 PolarHBondContact NH2-OD2 3.23Å; D342-T348 HydrophobicContact CB-CG2 3.89Å; D342-T348 WeakPolarHBondContact OD1-CG2 3.5Å; D342-T348 PolarHBondContact OD1-OG1 3.09Å
343	P	91.6	Very high	88.5	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.052	28%	0.284	C	S	.	.			trans	-58.7	146.3	172.1	-18.4	28.3	0	0	0	112.1	Y289 Q313 C345 T346 M375	Y289-P343 HydrophobicContact CE2-CB 3.67Å; Q313-P343 PolarHBondContact NE2-O 3.18Å; P343-C345 PolarHBondContact O-N 3.41Å; P343-T346 HydrophobicContact CB-CG2 3.8Å; P343-T346 WeakPolarHBondContact CD-OG1 3.35Å; P343-T346 HydrophobicContact CG-CG2 4.47Å; P343-T346 PolarHBondContact O-N 2.93Å; P343-T346 PolarHBondContact O-OG1 2.7Å; P343-M375 HydrophobicContact CG-CG 4.3Å; P343-M375 HydrophobicContact CG-SD 3.65Å
344	P	88.3	Confident	89.7	Confident	22 Å²	22	47.1 Å²	47.1	14%	0.143	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.2	125.5	175.6	-31.3	30.4	0	0	0	115	I288 Y289 Q313 T346	I288-P344 HydrophobicContact CG2-CB 3.31Å; I288-P344 HydrophobicContact CG2-CG 3.83Å; Y289-P344 HydrophobicContact CD2-CB 4.16Å; Y289-P344 VanDerWaalsContact CD2-O 3.23Å; Y289-P344 WeakPolarHBondContact CD2-O 3.2Å; Y289-P344 HydrophobicContact CE2-CB 3.89Å; Y289-P344 HydrophobicContact CE2-CG 3.95Å; Y289-P344 WeakPolarHBondContact OH-CD 3.39Å; Q313-P344 VanDerWaalsContact O-CD 3.24Å; Q313-P344 WeakPolarHBondContact O-CD 3.39Å; Q313-P344 VanDerWaalsContact O-CG 3.24Å; Q313-P344 WeakPolarHBondContact O-CG 3.37Å; P344-T346 PolarHBondContact O-N 2.97Å
345	C	90.3	Very high	90.7	Very high	14 Å²	14	38.5 Å²	38.5	10%	0.095	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	18.6	173.5	-69.7	0	0	0	0	116.2	L286 N287 C295 A296 Q313 P343	L286-C345 PolarHBondContact O-SG 2.99Å; L286-C345 VanDerWaalsContact O-SG 3.42Å; N287-C345 HydrophobicContact CB-CB 3.97Å; C295-C345 HydrophobicContact CB-CB 3.77Å; C295-C345 WeakPolarHBondContact CB-SG 3.47Å; C295-C345 VanDerWaalsContact SG-CA 3.55Å; C295-C345 WeakPolarHBondContact SG-CB 3.32Å; C295-C345 CovalentContact SG-SG 2.04Å; C295-C345 PolarHBondContact SG-SG 2.68Å; A296-C345 WeakPolarHBondContact CB-O 3.48Å; A296-C345 PolarHBondContact N-O 2.89Å; Q313-C345 VanDerWaalsContact NE2-N 3.18Å; P343-C345 PolarHBondContact O-N 3.41Å
346	T	89.8	Confident	91.8	Very high	24 Å²	24	37.4 Å²	37.4	15%	0.147	22%	0.222	C	C	.	.			trans	-96.1	162.1	174.9	65.7	0	0	0	0	112.4	Y289 P343 P344 M472	Y289-T346 HydrophobicContact CD2-CG2 4.21Å; Y289-T346 HydrophobicContact CE2-CG2 4.3Å; P343-T346 HydrophobicContact CB-CG2 3.8Å; P343-T346 WeakPolarHBondContact CD-OG1 3.35Å; P343-T346 HydrophobicContact CG-CG2 4.47Å; P343-T346 PolarHBondContact O-N 2.93Å; P343-T346 PolarHBondContact O-OG1 2.7Å; P344-T346 PolarHBondContact O-N 2.97Å; T346-M472 HydrophobicContact CG2-CE 4.31Å
347	N	91.1	Very high	92.9	Very high	109 Å²	109	36.2 Å²	36.2	58%	0.583	20%	0.199	S	C	*	.			trans	-117.3	99.1	169.6	179.9	9	0	0	0	109.9	A296 T349	A296-N347 HydrophobicContact CB-CB 4.11Å; N347-T349 PolarHBondContact O-N 3.32Å; N347-T349 WeakPolarHBondContact OD1-CB 3.29Å; N347-T349 PolarHBondContact OD1-N 3.24Å; N347-T349 VanDerWaalsContact OD1-N 3.17Å; N347-T349 PolarHBondContact OD1-OG1 2.87Å
348	T	94.3	Very high	93.8	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.025	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.8	-176.4	61.5	0	0	0	0	113.8	D342 A350 S352 M375	D342-T348 HydrophobicContact CB-CG2 3.89Å; D342-T348 WeakPolarHBondContact OD1-CG2 3.5Å; D342-T348 PolarHBondContact OD1-OG1 3.09Å; T348-A350 PolarHBondContact O-N 2.67Å; T348-S352 VanDerWaalsContact O-CB 3.28Å; T348-S352 WeakPolarHBondContact O-CB 3.35Å; T348-S352 PolarHBondContact O-N 3.17Å; T348-M375 HydrophobicContact CG2-CB 3.96Å; T348-M375 HydrophobicContact CG2-CE 4.12Å; T348-M375 HydrophobicContact CG2-CG 4.35Å; T348-M375 HydrophobicContact CG2-SD 3.5Å; T348-M375 WeakPolarHBondContact CG2-SD 3.26Å
349	T	95.4	Very high	94.4	Very high	66 Å²	66	38.1 Å²	38.1	41%	0.405	21%	0.21	S	C	.	.	H	α-helix	trans	-59.2	-41	-170.6	-55.5	0	0	0	0	113.9	N347 T353	N347-T349 PolarHBondContact O-N 3.32Å; N347-T349 WeakPolarHBondContact OD1-CB 3.29Å; N347-T349 PolarHBondContact OD1-N 3.24Å; N347-T349 VanDerWaalsContact OD1-N 3.17Å; N347-T349 PolarHBondContact OD1-OG1 2.87Å; T349-T353 WeakPolarHBondContact O-CB 3.37Å; T349-T353 PolarHBondContact O-N 2.88Å; T349-T353 PolarHBondContact O-OG1 2.73Å
350	A	97.8	Very high	95	Very high	21 Å²	21	36.5 Å²	36.5	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-54.4	-176.1	0	0	0	0	0	111.3	V117 G121 T348 S352 T353 Y354	V117-A350 HydrophobicContact CG1-CB 4.14Å; V117-A350 HydrophobicContact CG2-CB 4.37Å; G121-A350 WeakPolarHBondContact CA-O 3.29Å; T348-A350 PolarHBondContact O-N 2.67Å; A350-S352 PolarHBondContact O-N 3.27Å; A350-T353 PolarHBondContact O-N 3.2Å; A350-Y354 WeakPolarHBondContact O-CB 3.46Å; A350-Y354 PolarHBondContact O-N 2.72Å
351	A	98.1	Very high	95.4	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-43.5	176.7	0	0	0	0	0	112.1	V117 Y354 L355 W373 M375	V117-A351 HydrophobicContact CG1-CB 4.22Å; A351-Y354 PolarHBondContact O-N 3.43Å; A351-L355 WeakPolarHBondContact O-CB 3.1Å; A351-L355 WeakPolarHBondContact O-CG 3.45Å; A351-L355 PolarHBondContact O-N 2.81Å; A351-W373 HydrophobicContact CB-CH2 4.1Å; A351-W373 HydrophobicContact CB-CZ3 4.16Å; A351-M375 HydrophobicContact CB-CE 4.22Å
352	S	97.8	Very high	95.8	Very high	24 Å²	24	43.6 Å²	43.6	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-40.5	179	-176.8	0	0	0	0	112.7	T348 A350 N356 W373	T348-S352 VanDerWaalsContact O-CB 3.28Å; T348-S352 WeakPolarHBondContact O-CB 3.35Å; T348-S352 PolarHBondContact O-N 3.17Å; A350-S352 PolarHBondContact O-N 3.27Å; S352-N356 VanDerWaalsContact O-CB 3.23Å; S352-N356 WeakPolarHBondContact O-CB 3.49Å; S352-N356 PolarHBondContact O-N 2.84Å; S352-N356 PolarHBondContact O-ND2 2.96Å; S352-N356 PolarHBondContact OG-ND2 3.44Å; S352-W373 PolarHBondContact OG-O 2.82Å
353	T	98.5	Very high	96.2	Very high	67 Å²	67	44.3 Å²	44.3	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-43.6	174.3	-61.1	0	0	0	0	111.2	T349 A350 N357	T349-T353 WeakPolarHBondContact O-CB 3.37Å; T349-T353 PolarHBondContact O-N 2.88Å; T349-T353 PolarHBondContact O-OG1 2.73Å; A350-T353 PolarHBondContact O-N 3.2Å; T353-N357 PolarHBondContact O-N 3.16Å
354	Y	98.8	Very high	96.5	Very high	3 Å²	3	44 Å²	44	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-54.6	179.6	-178.6	-97.4	0	0	0	111.8	L52 P53 L109 V117 G121 L124 A350 A351 N356 N357 V360	L52-Y354 WeakPolarHBondContact CD1-OH 3.42Å; L52-Y354 VanDerWaalsContact CG-OH 3.27Å; L52-Y354 WeakPolarHBondContact CG-OH 2.77Å; P53-Y354 WeakPolarHBondContact O-CE2 3.38Å; P53-Y354 PolarHBondContact O-OH 2.96Å; L109-Y354 HydrophobicContact CD1-CD1 4.01Å; V117-Y354 HydrophobicContact CG2-CD2 4.44Å; V117-Y354 HydrophobicContact CG2-CG 4.07Å; G121-Y354 WeakPolarHBondContact O-CA 3.49Å; G121-Y354 WeakPolarHBondContact O-CB 3.5Å; G121-Y354 PolarHBondContact O-N 3.11Å; L124-Y354 HydrophobicContact CD1-CE1 4.2Å; L124-Y354 HydrophobicContact CD1-CE2 3.99Å; L124-Y354 WeakPolarHBondContact CD1-OH 3.25Å; L124-Y354 HydrophobicContact CD2-CD2 4.31Å; L124-Y354 HydrophobicContact CD2-CE1 4.27Å; L124-Y354 HydrophobicContact CD2-CE2 4.01Å; L124-Y354 HydrophobicContact CG-CD2 4.5Å; L124-Y354 HydrophobicContact CG-CE2 3.79Å; A350-Y354 WeakPolarHBondContact O-CB 3.46Å; A350-Y354 PolarHBondContact O-N 2.72Å; A351-Y354 PolarHBondContact O-N 3.43Å; Y354-N356 VanDerWaalsContact C-N 3.34Å; Y354-N356 PolarHBondContact O-N 2.75Å; Y354-N357 WeakPolarHBondContact O-CB 3.29Å; Y354-N357 PolarHBondContact O-N 2.96Å; Y354-N357 VanDerWaalsContact O-N 3.14Å; Y354-V360 HydrophobicContact CD1-CG1 4.04Å; Y354-V360 HydrophobicContact CD1-CG2 4.5Å; Y354-V360 HydrophobicContact CD2-CG2 4.19Å; Y354-V360 HydrophobicContact CE1-CB 4.46Å; Y354-V360 HydrophobicContact CE1-CG1 3.53Å; Y354-V360 HydrophobicContact CE1-CG2 4.05Å; Y354-V360 HydrophobicContact CE2-CG2 3.72Å; Y354-V360 WeakPolarHBondContact O-CB 3.18Å; Y354-V360 WeakPolarHBondContact O-CG2 3.35Å
355	L	98.8	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.1	-26.9	-175.6	-69.3	175.6	0	0	0	113.4	W79 L105 L109 F148 A351 N357 V360 R361 L364 W373	W79-L355 HydrophobicContact CZ3-CD2 4.26Å; L105-L355 HydrophobicContact CB-CD1 4.07Å; L105-L355 HydrophobicContact CD1-CD1 3.87Å; L105-L355 HydrophobicContact CD1-CD2 4.14Å; L109-L355 HydrophobicContact CD1-CD1 3.8Å; L109-L355 HydrophobicContact CD1-CD2 3.89Å; L109-L355 HydrophobicContact CD1-CG 3.78Å; F148-L355 HydrophobicContact CE2-CB 4.36Å; F148-L355 HydrophobicContact CE2-CD2 4.26Å; F148-L355 HydrophobicContact CZ-CB 4.09Å; F148-L355 WeakPolarHBondContact CZ-O 3.46Å; A351-L355 WeakPolarHBondContact O-CB 3.1Å; A351-L355 WeakPolarHBondContact O-CG 3.45Å; A351-L355 PolarHBondContact O-N 2.81Å; L355-N357 VanDerWaalsContact C-N 3.3Å; L355-V360 HydrophobicContact CD2-CG1 4.24Å; L355-R361 WeakPolarHBondContact O-CG 3.4Å; L355-L364 HydrophobicContact CD2-CD1 3.89Å; L355-W373 HydrophobicContact CB-CB 4.28Å; L355-W373 HydrophobicContact CB-CD2 4.07Å; L355-W373 HydrophobicContact CB-CE3 4.26Å; L355-W373 HydrophobicContact CB-CG 4.08Å; L355-W373 HydrophobicContact CD1-CD2 3.57Å; L355-W373 HydrophobicContact CD1-CE3 3.96Å; L355-W373 HydrophobicContact CD1-CG 4.11Å; L355-W373 HydrophobicContact CD1-CH2 3.84Å; L355-W373 HydrophobicContact CD1-CZ2 3.46Å; L355-W373 VanDerWaalsContact CD1-CZ2 3.46Å; L355-W373 HydrophobicContact CD1-CZ3 4.09Å; L355-W373 HydrophobicContact CG-CD2 4.49Å
356	N	98.7	Very high	97.4	Very high	43 Å²	43	45.8 Å²	45.8	23%	0.23	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.8	173.3	-74.4	-63.4	0	0	0	114.5	S352 Y354 P358 Q372 W373	S352-N356 VanDerWaalsContact O-CB 3.23Å; S352-N356 WeakPolarHBondContact O-CB 3.49Å; S352-N356 PolarHBondContact O-N 2.84Å; S352-N356 PolarHBondContact O-ND2 2.96Å; S352-N356 PolarHBondContact OG-ND2 3.44Å; Y354-N356 VanDerWaalsContact C-N 3.34Å; Y354-N356 PolarHBondContact O-N 2.75Å; N356-P358 WeakPolarHBondContact O-CD 3.39Å; N356-Q372 VanDerWaalsContact OD1-CA 3.25Å; N356-Q372 WeakPolarHBondContact OD1-CA 3.44Å; N356-Q372 WeakPolarHBondContact OD1-CB 3.4Å; N356-W373 PolarHBondContact ND2-O 2.77Å; N356-W373 PolarHBondContact OD1-N 3.37Å
357	N	98.6	Very high	97.8	Very high	48 Å²	48	46.2 Å²	46.2	26%	0.257	24%	0.243	S	C	.	.	S	Bend	trans	-63.8	125.2	174.2	-174.5	-45.5	0	0	0	110	T353 Y354 L355 Y359 V360 R361	T353-N357 PolarHBondContact O-N 3.16Å; Y354-N357 WeakPolarHBondContact O-CB 3.29Å; Y354-N357 PolarHBondContact O-N 2.96Å; Y354-N357 VanDerWaalsContact O-N 3.14Å; L355-N357 VanDerWaalsContact C-N 3.3Å; N357-Y359 PolarHBondContact O-N 3.46Å; N357-Y359 VanDerWaalsContact O-N 3.12Å; N357-Y359 WeakPolarHBondContact OD1-CB 3.31Å; N357-Y359 WeakPolarHBondContact OD1-CD2 3.36Å; N357-Y359 PolarHBondContact OD1-N 2.93Å; N357-V360 HydrophobicContact CB-CB 4.08Å; N357-V360 HydrophobicContact CB-CG2 3.85Å; N357-V360 PolarHBondContact O-N 3.15Å; N357-R361 PolarHBondContact O-N 3.31Å
358	P	98.6	Very high	98.1	Very high	97 Å²	97	49.6 Å²	49.6	63%	0.63	26%	0.255	S	S	*	.	H	α-helix	trans	-56.2	-31.7	-178.3	-28	35.8	0	0	0	114.4	N356 K362	N356-P358 WeakPolarHBondContact O-CD 3.39Å; P358-K362 VanDerWaalsContact O-CB 3.31Å; P358-K362 WeakPolarHBondContact O-CB 3.45Å; P358-K362 PolarHBondContact O-N 2.89Å
359	Y	98.4	Very high	98.2	Very high	174 Å²	174	56 Å²	56	68%	0.682	29%	0.285	S	S	*	.	H	α-helix	trans	-74.5	-32.4	177	-57.9	-71.2	0	0	0	112.5	N357 A363	N357-Y359 PolarHBondContact O-N 3.46Å; N357-Y359 VanDerWaalsContact O-N 3.12Å; N357-Y359 WeakPolarHBondContact OD1-CB 3.31Å; N357-Y359 WeakPolarHBondContact OD1-CD2 3.36Å; N357-Y359 PolarHBondContact OD1-N 2.93Å; Y359-A363 WeakPolarHBondContact O-CB 3.33Å; Y359-A363 PolarHBondContact O-N 2.98Å
360	V	98.8	Very high	98.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-70.6	-48.9	173.7	174.2	0	0	0	0	109.4	P53 Y354 L355 N357 K362 A363 L364	P53-V360 HydrophobicContact CB-CG2 3.86Å; P53-V360 HydrophobicContact CG-CG2 3.81Å; Y354-V360 HydrophobicContact CD1-CG1 4.04Å; Y354-V360 HydrophobicContact CD1-CG2 4.5Å; Y354-V360 HydrophobicContact CD2-CG2 4.19Å; Y354-V360 HydrophobicContact CE1-CB 4.46Å; Y354-V360 HydrophobicContact CE1-CG1 3.53Å; Y354-V360 HydrophobicContact CE1-CG2 4.05Å; Y354-V360 HydrophobicContact CE2-CG2 3.72Å; Y354-V360 WeakPolarHBondContact O-CB 3.18Å; Y354-V360 WeakPolarHBondContact O-CG2 3.35Å; L355-V360 HydrophobicContact CD2-CG1 4.24Å; N357-V360 HydrophobicContact CB-CB 4.08Å; N357-V360 HydrophobicContact CB-CG2 3.85Å; N357-V360 PolarHBondContact O-N 3.15Å; V360-K362 VanDerWaalsContact C-N 3.26Å; V360-K362 PolarHBondContact O-N 3.31Å; V360-A363 PolarHBondContact O-N 2.92Å; V360-L364 HydrophobicContact CG1-CD1 3.79Å; V360-L364 HydrophobicContact CG1-CG 4.32Å; V360-L364 WeakPolarHBondContact O-CG 3.49Å; V360-L364 PolarHBondContact O-N 2.92Å
361	R	98.8	Very high	98.3	Very high	30 Å²	30	57 Å²	57	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-53.4	-43.2	173.9	-69.6	-175.4	64.5	133.3	-7	112.4	F148 L355 N357 L364 H365 I366 P367 L370 P371	F148-R361 HydrophobicContact CE1-CG 4.14Å; F148-R361 HydrophobicContact CZ-CG 4.13Å; L355-R361 WeakPolarHBondContact O-CG 3.4Å; N357-R361 PolarHBondContact O-N 3.31Å; R361-L364 CarbonylContact O-C 3.46Å; R361-L364 PolarHBondContact O-N 2.96Å; R361-H365 PolarHBondContact O-N 2.76Å; R361-I366 HydrophobicContact CB-CB 4.05Å; R361-I366 HydrophobicContact CB-CG1 4.29Å; R361-I366 HydrophobicContact CG-CB 4.49Å; R361-I366 WeakPolarHBondContact O-CB 3.25Å; R361-I366 WeakPolarHBondContact O-CG1 3.37Å; R361-I366 PolarHBondContact O-N 2.76Å; R361-P367 PolarHBondContact NH2-O 3.36Å; R361-L370 PolarHBondContact NH2-O 2.8Å; R361-P371 PolarHBondContact NH1-O 3.32Å; R361-P371 PolarHBondContact NH2-O 3.24Å
362	K	98.7	Very high	98.3	Very high	157 Å²	157	62.6 Å²	62.6	68%	0.683	32%	0.315	S	S	*	.	H	α-helix	trans	-66.2	-39.1	175.7	-175.9	170.4	-177.1	168.4	0	113.3	P358 V360 L364 H365	P358-K362 VanDerWaalsContact O-CB 3.31Å; P358-K362 WeakPolarHBondContact O-CB 3.45Å; P358-K362 PolarHBondContact O-N 2.89Å; V360-K362 VanDerWaalsContact C-N 3.26Å; V360-K362 PolarHBondContact O-N 3.31Å; K362-L364 VanDerWaalsContact C-N 3.27Å; K362-L364 PolarHBondContact O-N 3.15Å; K362-H365 PolarHBondContact O-N 3.07Å
363	A	98.6	Very high	98.3	Very high	15 Å²	15	61.4 Å²	61.4	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-70.7	-23.7	177.2	0	0	0	0	0	113.2	I49 R51 Y359 V360	I49-A363 HydrophobicContact CG2-CB 4.48Å; I49-A363 WeakPolarHBondContact CG2-O 3.32Å; R51-A363 WeakPolarHBondContact O-CB 3.42Å; Y359-A363 WeakPolarHBondContact O-CB 3.33Å; Y359-A363 PolarHBondContact O-N 2.98Å; V360-A363 PolarHBondContact O-N 2.92Å
364	L	98.8	Very high	98.3	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	15	175.2	-61.3	179.5	0	0	0	112.8	I49 L52 S65 W79 L355 V360 R361 K362 I366	I49-L364 HydrophobicContact CD1-CD2 3.58Å; I49-L364 HydrophobicContact CG1-CD2 4.06Å; L52-L364 HydrophobicContact CD1-CD2 4.03Å; S65-L364 WeakPolarHBondContact OG-CB 3.4Å; S65-L364 PolarHBondContact OG-O 3.17Å; S65-L364 VanDerWaalsContact OG-O 3.11Å; W79-L364 HydrophobicContact CD2-CD2 3.89Å; W79-L364 HydrophobicContact CE3-CD1 3.93Å; W79-L364 HydrophobicContact CE3-CD2 3.75Å; W79-L364 HydrophobicContact CH2-CD1 4.11Å; W79-L364 HydrophobicContact CH2-CD2 3.66Å; W79-L364 HydrophobicContact CH2-CG 4.46Å; W79-L364 HydrophobicContact CZ2-CD2 3.73Å; W79-L364 HydrophobicContact CZ3-CD1 3.53Å; W79-L364 HydrophobicContact CZ3-CD2 3.67Å; W79-L364 HydrophobicContact CZ3-CG 4.24Å; L355-L364 HydrophobicContact CD2-CD1 3.89Å; V360-L364 HydrophobicContact CG1-CD1 3.79Å; V360-L364 HydrophobicContact CG1-CG 4.32Å; V360-L364 WeakPolarHBondContact O-CG 3.49Å; V360-L364 PolarHBondContact O-N 2.92Å; R361-L364 CarbonylContact O-C 3.46Å; R361-L364 PolarHBondContact O-N 2.96Å; K362-L364 VanDerWaalsContact C-N 3.27Å; K362-L364 PolarHBondContact O-N 3.15Å; L364-I366 HydrophobicContact CB-CD1 4.02Å; L364-I366 HydrophobicContact CB-CG1 3.87Å; L364-I366 VanDerWaalsContact O-CD1 3.3Å; L364-I366 WeakPolarHBondContact O-CD1 3.23Å; L364-I366 PolarHBondContact O-N 3.38Å
365	H	98.8	Very high	98.2	Very high	66 Å²	66	60.2 Å²	60.2	31%	0.306	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	25.9	178.2	-45.6	110	0	0	0	115.2	D47 E48 S65 R361 K362 P367	D47-H365 VanDerWaalsContact C-CE1 3.41Å; D47-H365 PolarHBondContact O-CE1 3.08Å; D47-H365 VanDerWaalsContact O-CE1 3.25Å; D47-H365 PolarHBondContact O-ND1 3.42Å; E48-H365 PolarHBondContact O-CE1 3.2Å; S65-H365 PolarHBondContact O-ND1 3.41Å; R361-H365 PolarHBondContact O-N 2.76Å; K362-H365 PolarHBondContact O-N 3.07Å; H365-P367 WeakPolarHBondContact O-CD 3.49Å
366	I	98.8	Very high	98.2	Very high	9 Å²	9	60.3 Å²	60.3	5%	0.046	30%	0.298	C	S	.	.			trans	-71.6	123.4	-179.1	-51.6	-54.1	0	0	0	109.6	F148 R361 L364 E368 L370	F148-I366 HydrophobicContact CB-CD1 3.85Å; F148-I366 HydrophobicContact CB-CG2 4.35Å; F148-I366 HydrophobicContact CD1-CB 4.42Å; F148-I366 HydrophobicContact CD1-CD1 4.14Å; F148-I366 HydrophobicContact CD1-CG1 4.1Å; F148-I366 HydrophobicContact CD1-CG2 3.47Å; F148-I366 VanDerWaalsContact CD1-CG2 3.47Å; F148-I366 HydrophobicContact CD2-CD1 3.48Å; F148-I366 VanDerWaalsContact CD2-CD1 3.48Å; F148-I366 HydrophobicContact CD2-CG1 4Å; F148-I366 HydrophobicContact CE1-CG1 4.1Å; F148-I366 HydrophobicContact CE1-CG2 3.82Å; F148-I366 HydrophobicContact CE2-CD1 3.96Å; F148-I366 HydrophobicContact CE2-CG1 4.01Å; F148-I366 HydrophobicContact CG-CD1 3.57Å; F148-I366 HydrophobicContact CG-CG1 4.02Å; F148-I366 HydrophobicContact CG-CG2 3.98Å; F148-I366 HydrophobicContact CZ-CD1 4.45Å; F148-I366 HydrophobicContact CZ-CG1 4.06Å; R361-I366 HydrophobicContact CB-CB 4.05Å; R361-I366 HydrophobicContact CB-CG1 4.29Å; R361-I366 HydrophobicContact CG-CB 4.49Å; R361-I366 WeakPolarHBondContact O-CB 3.25Å; R361-I366 WeakPolarHBondContact O-CG1 3.37Å; R361-I366 PolarHBondContact O-N 2.76Å; L364-I366 HydrophobicContact CB-CD1 4.02Å; L364-I366 HydrophobicContact CB-CG1 3.87Å; L364-I366 VanDerWaalsContact O-CD1 3.3Å; L364-I366 WeakPolarHBondContact O-CD1 3.23Å; L364-I366 PolarHBondContact O-N 3.38Å; I366-E368 PolarHBondContact O-N 2.78Å; I366-L370 HydrophobicContact CG2-CD1 4.13Å
367	P	98.4	Very high	98.1	Very high	32 Å²	32	60.1 Å²	60.1	21%	0.208	30%	0.297	C	S	.	.			trans	-59.3	133.5	176.6	-21.4	30.3	0	0	0	112.1	Y67 R361 H365 Q369 L370	Y67-P367 HydrophobicContact CE2-CG 4.19Å; Y67-P367 WeakPolarHBondContact OH-CD 3.42Å; R361-P367 PolarHBondContact NH2-O 3.36Å; H365-P367 WeakPolarHBondContact O-CD 3.49Å; P367-Q369 VanDerWaalsContact CB-CD 3.45Å; P367-Q369 VanDerWaalsContact CB-NE2 3.3Å; P367-Q369 PolarHBondContact O-N 2.8Å; P367-Q369 VanDerWaalsContact O-N 3.14Å; P367-L370 HydrophobicContact CB-CD1 4.49Å; P367-L370 HydrophobicContact CB-CG 4.2Å; P367-L370 HydrophobicContact CG-CD1 4.23Å; P367-L370 HydrophobicContact CG-CG 4.44Å; P367-L370 WeakPolarHBondContact O-CB 3.17Å; P367-L370 PolarHBondContact O-N 3.24Å; P367-L370 VanDerWaalsContact O-N 3.09Å
368	E	97.3	Very high	98	Very high	181 Å²	181	58.4 Å²	58.4	85%	0.846	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.8	-173.4	-63.3	-174.3	176.9	0	0	113	I366 L370	I366-E368 PolarHBondContact O-N 2.78Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 3.35Å
369	Q	97.1	Very high	97.8	Very high	139 Å²	139	57.1 Å²	57.1	65%	0.65	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.4	178	74.9	-81.2	9.8	0	0	115.1	P367	P367-Q369 VanDerWaalsContact CB-CD 3.45Å; P367-Q369 VanDerWaalsContact CB-NE2 3.3Å; P367-Q369 PolarHBondContact O-N 2.8Å; P367-Q369 VanDerWaalsContact O-N 3.14Å
370	L	98.1	Very high	97.7	Very high	20 Å²	20	48.8 Å²	48.8	11%	0.105	24%	0.242	C	C	.	.	S	Bend	trans	-74.7	147	178.5	-65	-173.2	0	0	0	111.4	Y67 F148 Y150 R361 I366 P367 E368	Y67-L370 HydrophobicContact CE1-CD1 4.41Å; Y67-L370 WeakPolarHBondContact OH-CD1 3.49Å; F148-L370 VanDerWaalsContact O-CD1 3.28Å; F148-L370 WeakPolarHBondContact O-CD1 3.48Å; Y150-L370 HydrophobicContact CD1-CD1 3.69Å; Y150-L370 HydrophobicContact CD1-CD2 3.6Å; Y150-L370 HydrophobicContact CD1-CG 4.3Å; Y150-L370 HydrophobicContact CD2-CD2 4.15Å; Y150-L370 HydrophobicContact CE1-CD1 4.07Å; Y150-L370 HydrophobicContact CE1-CD2 4.12Å; Y150-L370 HydrophobicContact CG-CD1 4.49Å; Y150-L370 HydrophobicContact CG-CD2 3.62Å; R361-L370 PolarHBondContact NH2-O 2.8Å; I366-L370 HydrophobicContact CG2-CD1 4.13Å; P367-L370 HydrophobicContact CB-CD1 4.49Å; P367-L370 HydrophobicContact CB-CG 4.2Å; P367-L370 HydrophobicContact CG-CD1 4.23Å; P367-L370 HydrophobicContact CG-CG 4.44Å; P367-L370 WeakPolarHBondContact O-CB 3.17Å; P367-L370 PolarHBondContact O-N 3.24Å; P367-L370 VanDerWaalsContact O-N 3.09Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 3.35Å
371	P	96.8	Very high	97.6	Very high	88 Å²	88	49.3 Å²	49.3	57%	0.571	25%	0.245	S	C	*	.			trans	-61.5	175.4	178.7	29.4	-37.2	0	0	0	112.3	R361	R361-P371 PolarHBondContact NH1-O 3.32Å; R361-P371 PolarHBondContact NH2-O 3.24Å
372	Q	97.2	Very high	97.4	Very high	120 Å²	120	49.7 Å²	49.7	56%	0.561	25%	0.249	S	C	*	.			trans	-55.1	149.3	169.1	71.7	-178.8	21.1	0	0	111	N356 D374	N356-Q372 VanDerWaalsContact OD1-CA 3.25Å; N356-Q372 WeakPolarHBondContact OD1-CA 3.44Å; N356-Q372 WeakPolarHBondContact OD1-CB 3.4Å; Q372-D374 PolarHBondContact NE2-OD1 2.83Å; Q372-D374 PolarHBondContact NE2-OD2 3.48Å
373	W	98.6	Very high	97.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.			trans	-76.9	127.4	168.4	-174.5	95.5	0	0	0	109.7	S103 L105 E141 F148 A351 S352 L355 N356 M375	S103-W373 WeakPolarHBondContact OG-CZ2 3.31Å; L105-W373 HydrophobicContact CB-CZ2 4.35Å; E141-W373 PolarHBondContact OE1-NE1 3.4Å; F148-W373 HydrophobicContact CD1-CB 4.26Å; F148-W373 AromaticContact CD2-CD1 3.69Å; F148-W373 HydrophobicContact CE1-CB 3.65Å; F148-W373 HydrophobicContact CE1-CG 4.25Å; F148-W373 HydrophobicContact CE2-CB 4.42Å; F148-W373 AromaticContact CE2-CD1 3.59Å; F148-W373 HydrophobicContact CE2-CG 4.22Å; F148-W373 AromaticContact CG-CD1 3.99Å; F148-W373 HydrophobicContact CZ-CB 3.74Å; F148-W373 AromaticContact CZ-CD1 3.8Å; F148-W373 HydrophobicContact CZ-CG 4.02Å; A351-W373 HydrophobicContact CB-CH2 4.1Å; A351-W373 HydrophobicContact CB-CZ3 4.16Å; S352-W373 PolarHBondContact OG-O 2.82Å; L355-W373 HydrophobicContact CB-CB 4.28Å; L355-W373 HydrophobicContact CB-CD2 4.07Å; L355-W373 HydrophobicContact CB-CE3 4.26Å; L355-W373 HydrophobicContact CB-CG 4.08Å; L355-W373 HydrophobicContact CD1-CD2 3.57Å; L355-W373 HydrophobicContact CD1-CE3 3.96Å; L355-W373 HydrophobicContact CD1-CG 4.11Å; L355-W373 HydrophobicContact CD1-CH2 3.84Å; L355-W373 HydrophobicContact CD1-CZ2 3.46Å; L355-W373 VanDerWaalsContact CD1-CZ2 3.46Å; L355-W373 HydrophobicContact CD1-CZ3 4.09Å; L355-W373 HydrophobicContact CG-CD2 4.49Å; N356-W373 PolarHBondContact ND2-O 2.77Å; N356-W373 PolarHBondContact OD1-N 3.37Å; W373-M375 HydrophobicContact CH2-CB 3.64Å; W373-M375 HydrophobicContact CH2-CE 4.25Å; W373-M375 HydrophobicContact CH2-CG 4.09Å; W373-M375 HydrophobicContact CZ2-CB 4.43Å; W373-M375 HydrophobicContact CZ3-CB 3.89Å
374	D	97.5	Very high	97.2	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	23%	0.232	C	C	.	.			trans	-123.1	139.1	169.2	-74.8	-58.3	0	0	0	108.1	R340 Q372 C376	R340-D374 WeakPolarHBondContact CD-OD1 3.18Å; R340-D374 HydrophobicContact CG-CB 4.44Å; Q372-D374 PolarHBondContact NE2-OD1 2.83Å; Q372-D374 PolarHBondContact NE2-OD2 3.48Å; D374-C376 VanDerWaalsContact C-N 3.27Å; D374-C376 PolarHBondContact O-N 3.05Å
375	M	97.8	Very high	97.2	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.044	26%	0.264	C	S	.	.	S	Bend	trans	-59.9	-36.7	-174.8	-178.7	178.2	-80.9	0	0	112.5	C102 S103 D106 P343 T348 A351 W373	C102-M375 CarbonylContact C-O 3.49Å; C102-M375 VanDerWaalsContact CA-O 3.27Å; C102-M375 WeakPolarHBondContact CA-O 3.47Å; S103-M375 PolarHBondContact N-O 2.95Å; D106-M375 HydrophobicContact CB-CE 4.15Å; D106-M375 VanDerWaalsContact CG-CE 3.46Å; D106-M375 WeakPolarHBondContact OD1-CE 3.46Å; P343-M375 HydrophobicContact CG-CG 4.3Å; P343-M375 HydrophobicContact CG-SD 3.65Å; T348-M375 HydrophobicContact CG2-CB 3.96Å; T348-M375 HydrophobicContact CG2-CE 4.12Å; T348-M375 HydrophobicContact CG2-CG 4.35Å; T348-M375 HydrophobicContact CG2-SD 3.5Å; T348-M375 WeakPolarHBondContact CG2-SD 3.26Å; A351-M375 HydrophobicContact CB-CE 4.22Å; W373-M375 HydrophobicContact CH2-CB 3.64Å; W373-M375 HydrophobicContact CH2-CE 4.25Å; W373-M375 HydrophobicContact CH2-CG 4.09Å; W373-M375 HydrophobicContact CZ2-CB 4.43Å; W373-M375 HydrophobicContact CZ3-CB 3.89Å
376	C	98.1	Very high	97.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-131	131.3	170.2	-55.6	0	0	0	0	110.9	G101 C102 M341 D374 F378	G101-C376 CarbonylContact O-C 3.44Å; G101-C376 VanDerWaalsContact O-CA 3.31Å; G101-C376 WeakPolarHBondContact O-CA 3.41Å; C102-C376 HydrophobicContact CB-CB 4.09Å; C102-C376 WeakPolarHBondContact CB-SG 3.27Å; C102-C376 WeakPolarHBondContact SG-CB 3.28Å; C102-C376 CovalentContact SG-SG 2.04Å; C102-C376 PolarHBondContact SG-SG 2.98Å; M341-C376 HydrophobicContact CB-CB 4.05Å; M341-C376 HydrophobicContact CG-CB 3.79Å; M341-C376 HydrophobicContact SD-CB 4.35Å; D374-C376 VanDerWaalsContact C-N 3.27Å; D374-C376 PolarHBondContact O-N 3.05Å; C376-F378 PolarHBondContact O-N 2.81Å
377	N	97.4	Very high	97.2	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.203	28%	0.276	C	S	.	.			trans	-83.6	111.4	175.4	-173.6	-43.8	0	0	0	110.4	G101 G145 L379 V380 N381	G101-N377 PolarHBondContact O-N 3.15Å; G145-N377 PolarHBondContact O-ND2 2.87Å; N377-L379 VanDerWaalsContact C-N 3.32Å; N377-L379 PolarHBondContact O-N 2.95Å; N377-L379 WeakPolarHBondContact OD1-CA 3.2Å; N377-L379 WeakPolarHBondContact OD1-CB 3.25Å; N377-L379 PolarHBondContact OD1-N 3.1Å; N377-V380 HydrophobicContact CB-CB 3.99Å; N377-V380 HydrophobicContact CB-CG2 3.72Å; N377-V380 PolarHBondContact O-N 2.94Å; N377-V380 PolarHBondContact OD1-N 3.17Å; N377-V380 VanDerWaalsContact OD1-N 3.08Å; N377-N381 PolarHBondContact O-N 2.81Å; N377-N381 VanDerWaalsContact O-N 3.08Å
378	F	94.9	Very high	97.2	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.053	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-40.7	178.2	173.6	-116.2	0	0	0	113.5	V312 H329 L333 V339 M341 C376 L382	V312-F378 HydrophobicContact CB-CD2 4.41Å; V312-F378 HydrophobicContact CB-CE2 4.36Å; V312-F378 HydrophobicContact CG1-CE2 4.45Å; V312-F378 HydrophobicContact CG2-CD2 4.45Å; V312-F378 HydrophobicContact CG2-CE2 4.04Å; H329-F378 HydrophobicContact CB-CE2 4.43Å; H329-F378 HydrophobicContact CB-CZ 4.3Å; L333-F378 HydrophobicContact CD2-CD1 4.34Å; L333-F378 HydrophobicContact CD2-CE1 3.72Å; L333-F378 HydrophobicContact CG-CE1 4.25Å; V339-F378 HydrophobicContact CB-CD1 3.84Å; V339-F378 HydrophobicContact CB-CE1 3.93Å; V339-F378 HydrophobicContact CB-CG 4.45Å; V339-F378 HydrophobicContact CG1-CD1 3.58Å; V339-F378 HydrophobicContact CG1-CD2 4.04Å; V339-F378 HydrophobicContact CG1-CE1 3.57Å; V339-F378 HydrophobicContact CG1-CE2 4.05Å; V339-F378 HydrophobicContact CG1-CG 3.81Å; V339-F378 HydrophobicContact CG1-CZ 3.81Å; V339-F378 HydrophobicContact CG2-CE1 4.32Å; M341-F378 HydrophobicContact CB-CB 3.92Å; M341-F378 HydrophobicContact CB-CD2 4.5Å; M341-F378 HydrophobicContact CE-CD2 4.12Å; C376-F378 PolarHBondContact O-N 2.81Å; F378-L382 HydrophobicContact CE1-CD2 3.93Å; F378-L382 HydrophobicContact CE2-CB 4.47Å; F378-L382 HydrophobicContact CE2-CD2 4.32Å; F378-L382 HydrophobicContact CZ-CD2 3.68Å; F378-L382 WeakPolarHBondContact O-CB 3.48Å; F378-L382 PolarHBondContact O-N 3.22Å
379	L	94.7	Very high	97.1	Very high	70 Å²	70	57.3 Å²	57.3	37%	0.366	26%	0.264	S	S	.	.	H	α-helix	trans	-69.1	-43.9	-179.2	-66.1	175.4	0	0	0	111.3	L333 N377 N381 L382 Q383	L333-L379 HydrophobicContact CD1-CD2 4.3Å; L333-L379 HydrophobicContact CD2-CD2 3.53Å; N377-L379 VanDerWaalsContact C-N 3.32Å; N377-L379 PolarHBondContact O-N 2.95Å; N377-L379 WeakPolarHBondContact OD1-CA 3.2Å; N377-L379 WeakPolarHBondContact OD1-CB 3.25Å; N377-L379 PolarHBondContact OD1-N 3.1Å; L379-N381 PolarHBondContact O-N 3.05Å; L379-L382 PolarHBondContact O-N 2.97Å; L379-Q383 VanDerWaalsContact O-CB 3.29Å; L379-Q383 WeakPolarHBondContact O-CB 3.35Å; L379-Q383 VanDerWaalsContact O-CG 3.3Å; L379-Q383 WeakPolarHBondContact O-CG 3.31Å; L379-Q383 PolarHBondContact O-N 3.08Å
380	V	97.4	Very high	97.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-54.6	-55.3	173.7	174.6	0	0	0	0	109.1	P143 V146 N377 L382 Q383 Y384	P143-V380 HydrophobicContact CG-CG1 3.73Å; V146-V380 HydrophobicContact CG2-CG1 4.17Å; V146-V380 HydrophobicContact CG2-CG2 4.29Å; N377-V380 HydrophobicContact CB-CB 3.99Å; N377-V380 HydrophobicContact CB-CG2 3.72Å; N377-V380 PolarHBondContact O-N 2.94Å; N377-V380 PolarHBondContact OD1-N 3.17Å; N377-V380 VanDerWaalsContact OD1-N 3.08Å; V380-L382 PolarHBondContact O-N 2.89Å; V380-Q383 PolarHBondContact O-N 3.46Å; V380-Y384 VanDerWaalsContact O-CB 3.26Å; V380-Y384 WeakPolarHBondContact O-CB 3.29Å; V380-Y384 PolarHBondContact O-N 3.5Å
381	N	96.8	Very high	97.2	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.059	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-46.4	-178.3	-174.5	-84.7	0	0	0	113.3	P100 L315 M341 N377 L379 Q383 Y384	P100-N381 WeakPolarHBondContact CD-ND2 3.4Å; P100-N381 WeakPolarHBondContact O-CB 3.38Å; P100-N381 PolarHBondContact O-ND2 3.46Å; L315-N381 PolarHBondContact O-ND2 2.73Å; L315-N381 PolarHBondContact O-OD1 3.12Å; M341-N381 HydrophobicContact CE-CB 4.01Å; M341-N381 HydrophobicContact SD-CB 3.47Å; M341-N381 WeakPolarHBondContact SD-CB 3.25Å; M341-N381 VanDerWaalsContact SD-CG 3.57Å; N377-N381 PolarHBondContact O-N 2.81Å; N377-N381 VanDerWaalsContact O-N 3.08Å; L379-N381 PolarHBondContact O-N 3.05Å; N381-Q383 VanDerWaalsContact C-N 3.34Å; N381-Q383 PolarHBondContact O-N 3.36Å; N381-Y384 WeakPolarHBondContact O-CB 3.27Å; N381-Y384 PolarHBondContact O-N 3.08Å
382	L	93.8	Very high	97.3	Very high	39 Å²	39	49.5 Å²	49.5	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-32.9	-177.2	179.4	62.4	0	0	0	112.8	H329 Q330 L333 F378 L379 V380	H329-L382 HydrophobicContact CB-CD1 3.88Å; Q330-L382 HydrophobicContact CG-CD1 4.46Å; L333-L382 HydrophobicContact CD1-CD2 3.57Å; L333-L382 HydrophobicContact CD2-CD2 4.5Å; L333-L382 HydrophobicContact CG-CD2 3.92Å; F378-L382 HydrophobicContact CE1-CD2 3.93Å; F378-L382 HydrophobicContact CE2-CB 4.47Å; F378-L382 HydrophobicContact CE2-CD2 4.32Å; F378-L382 HydrophobicContact CZ-CD2 3.68Å; F378-L382 WeakPolarHBondContact O-CB 3.48Å; F378-L382 PolarHBondContact O-N 3.22Å; L379-L382 PolarHBondContact O-N 2.97Å; V380-L382 PolarHBondContact O-N 2.89Å
383	Q	95.8	Very high	97.4	Very high	88 Å²	88	47.3 Å²	47.3	41%	0.411	22%	0.223	S	C	.	.	H	α-helix	trans	-89.9	-8.5	177.3	-63.6	179.2	-36.3	0	0	112.7	A157 L379 V380 N381 R385	A157-Q383 HydrophobicContact CB-CB 3.82Å; A157-Q383 HydrophobicContact CB-CG 4.44Å; L379-Q383 VanDerWaalsContact O-CB 3.29Å; L379-Q383 WeakPolarHBondContact O-CB 3.35Å; L379-Q383 VanDerWaalsContact O-CG 3.3Å; L379-Q383 WeakPolarHBondContact O-CG 3.31Å; L379-Q383 PolarHBondContact O-N 3.08Å; V380-Q383 PolarHBondContact O-N 3.46Å; N381-Q383 VanDerWaalsContact C-N 3.34Å; N381-Q383 PolarHBondContact O-N 3.36Å; Q383-R385 PolarHBondContact O-N 3.38Å
384	Y	98.2	Very high	97.4	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.039	23%	0.225	C	C	.	.			trans	-68.5	118.9	-174.5	-163.6	-81.1	0	0	0	112.9	P100 T158 D160 V163 Y193 Y197 V380 N381 R386	P100-Y384 HydrophobicContact CB-CD1 4.03Å; P100-Y384 HydrophobicContact CB-CD2 3.68Å; P100-Y384 HydrophobicContact CB-CE1 4.22Å; P100-Y384 HydrophobicContact CB-CE2 3.86Å; P100-Y384 HydrophobicContact CB-CG 3.77Å; P100-Y384 HydrophobicContact CG-CD1 3.69Å; P100-Y384 HydrophobicContact CG-CD2 4.07Å; P100-Y384 HydrophobicContact CG-CE1 4.25Å; P100-Y384 HydrophobicContact CG-CG 3.6Å; T158-Y384 HydrophobicContact CG2-CD2 3.89Å; T158-Y384 HydrophobicContact CG2-CE2 3.93Å; D160-Y384 VanDerWaalsContact CA-OH 3.26Å; D160-Y384 WeakPolarHBondContact CA-OH 3.35Å; D160-Y384 PolarHBondContact N-OH 3.49Å; D160-Y384 WeakPolarHBondContact OD1-CE1 3.42Å; D160-Y384 PolarHBondContact OD1-OH 3.18Å; V163-Y384 HydrophobicContact CG2-CE2 3.87Å; Y193-Y384 AromaticContact CE1-CE1 3.98Å; Y193-Y384 HydrophobicContact CE1-CE1 3.98Å; Y193-Y384 AromaticContact CZ-CE1 3.86Å; Y193-Y384 WeakPolarHBondContact OH-CE1 3.41Å; Y197-Y384 HydrophobicContact CE1-CE2 4.42Å; V380-Y384 VanDerWaalsContact O-CB 3.26Å; V380-Y384 WeakPolarHBondContact O-CB 3.29Å; V380-Y384 PolarHBondContact O-N 3.5Å; N381-Y384 WeakPolarHBondContact O-CB 3.27Å; N381-Y384 PolarHBondContact O-N 3.08Å; Y384-R386 HydrophobicContact CD1-CG 4.04Å; Y384-R386 HydrophobicContact CE1-CG 4.3Å; Y384-R386 PolarHBondContact O-N 3.05Å; Y384-R386 PolarHBondContact O-NH1 3.3Å
385	R	98.4	Very high	97.5	Very high	176 Å²	176	46.2 Å²	46.2	66%	0.664	22%	0.216	S	C	*	.	B	Isolated β-bridge	trans	-92.9	102.8	177.3	-173.7	-178.2	177.3	-176.3	-1.4	111.7	T158 N159 Q383 L387	T158-R385 PolarHBondContact O-N 3.42Å; N159-R385 WeakPolarHBondContact CA-O 3.15Å; N159-R385 HydrophobicContact CB-CB 4.02Å; N159-R385 VanDerWaalsContact CB-O 3.28Å; N159-R385 WeakPolarHBondContact CB-O 3.42Å; Q383-R385 PolarHBondContact O-N 3.38Å; R385-L387 HydrophobicContact CG-CD2 3.88Å; R385-L387 PolarHBondContact O-N 3.02Å
386	R	98	Very high	97.5	Very high	64 Å²	64	48.9 Å²	48.9	24%	0.242	23%	0.23	C	C	.	.			trans	-67.2	122.5	170.1	-61	158.6	176.9	80.9	-6.1	109.6	P100 Y193 Y225 L315 G316 N317 Y384	P100-R386 VanDerWaalsContact CD-NH2 3.3Å; Y193-R386 HydrophobicContact CE2-CG 4.26Å; Y193-R386 WeakPolarHBondContact OH-CG 3.39Å; Y225-R386 VanDerWaalsContact OH-CD 3.29Å; Y225-R386 WeakPolarHBondContact OH-CD 3.2Å; Y225-R386 WeakPolarHBondContact OH-CG 3.33Å; L315-R386 PolarHBondContact O-NH2 2.67Å; G316-R386 PolarHBondContact O-NE 3.41Å; N317-R386 PolarHBondContact OD1-NE 2.73Å; N317-R386 PolarHBondContact OD1-NH2 3.3Å; Y384-R386 HydrophobicContact CD1-CG 4.04Å; Y384-R386 HydrophobicContact CE1-CG 4.3Å; Y384-R386 PolarHBondContact O-N 3.05Å; Y384-R386 PolarHBondContact O-NH1 3.3Å
387	L	98.4	Very high	97.6	Very high	68 Å²	68	52.8 Å²	52.8	36%	0.356	25%	0.247	S	C	.	.			trans	-109.3	-46.2	-176.9	-62.2	-179.3	0	0	0	111.9	N159 D160 T161 R385	N159-L387 HydrophobicContact CB-CD1 3.93Å; N159-L387 HydrophobicContact CB-CG 4.17Å; N159-L387 WeakPolarHBondContact OD1-CD1 2.95Å; D160-L387 HydrophobicContact CB-CB 4.43Å; D160-L387 PolarHBondContact OD2-N 3.12Å; T161-L387 HydrophobicContact CG2-CD1 4.05Å; R385-L387 HydrophobicContact CG-CD2 3.88Å; R385-L387 PolarHBondContact O-N 3.02Å
388	Y	98.2	Very high	97.6	Very high	78 Å²	78	51 Å²	51	31%	0.306	24%	0.237	S	C	.	.			trans	-84.9	136.5	-177.5	-61.6	-74.7	0	0	0	111.7	D160 T161 T200 Y225 M391 Q394	D160-Y388 HydrophobicContact CB-CD2 3.6Å; D160-Y388 HydrophobicContact CB-CE2 3.78Å; D160-Y388 PolarHBondContact OD2-N 2.89Å; D160-Y388 VanDerWaalsContact OD2-N 3.16Å; T161-Y388 HydrophobicContact CG2-CE2 4.05Å; T161-Y388 WeakPolarHBondContact CG2-OH 3.27Å; T200-Y388 HydrophobicContact CG2-CD2 3.91Å; T200-Y388 HydrophobicContact CG2-CE2 3.62Å; Y225-Y388 WeakPolarHBondContact CE2-O 3.16Å; Y388-M391 HydrophobicContact CD1-CE 4.25Å; Y388-M391 HydrophobicContact CD2-CE 3.93Å; Y388-M391 HydrophobicContact CG-CE 3.56Å; Y388-Q394 VanDerWaalsContact CD1-NE2 3.35Å
389	R	96.8	Very high	97.8	Very high	136 Å²	136	50.5 Å²	50.5	51%	0.513	24%	0.236	S	C	.	.	S	Bend	trans	-89.9	-24.6	175	-62.8	-173.9	-178.6	-149	3.1	113.3	Y225	Y225-R389 WeakPolarHBondContact CD2-O 3.1Å; Y225-R389 PolarHBondContact N-O 3.1Å
390	S	98.6	Very high	97.9	Very high	29 Å²	29	51.7 Å²	51.7	20%	0.203	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-160.6	154.5	176.7	175.1	0	0	0	0	109.4	S223 N392 F425	S223-S390 CarbonylContact O-C 3.51Å; S223-S390 VanDerWaalsContact O-CA 3.25Å; S223-S390 WeakPolarHBondContact O-CA 3.4Å; S223-S390 PolarHBondContact O-OG 2.88Å; S223-S390 VanDerWaalsContact O-OG 3.05Å; S390-N392 VanDerWaalsContact C-N 3.34Å; S390-N392 PolarHBondContact OG-N 2.74Å; S390-F425 WeakPolarHBondContact OG-CE2 3.23Å
391	M	98.8	Very high	97.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-88.5	6.8	176.9	-64.9	-68.8	97.8	0	0	114.3	G195 I196 P199 T200 S223 Y388 S393 Q394 Y395 F425	G195-M391 VanDerWaalsContact O-CG 3.29Å; G195-M391 WeakPolarHBondContact O-CG 3.5Å; I196-M391 HydrophobicContact CD1-CE 3.81Å; I196-M391 HydrophobicContact CD1-CG 4.05Å; I196-M391 HydrophobicContact CD1-SD 4.24Å; I196-M391 HydrophobicContact CG2-CE 4.11Å; I196-M391 HydrophobicContact CG2-SD 4.39Å; P199-M391 HydrophobicContact CB-CB 4.34Å; P199-M391 HydrophobicContact CB-CG 4.32Å; P199-M391 HydrophobicContact CB-SD 3.92Å; P199-M391 HydrophobicContact CG-CB 4.35Å; P199-M391 HydrophobicContact CG-CG 4.14Å; P199-M391 HydrophobicContact CG-SD 4.19Å; T200-M391 HydrophobicContact CG2-CE 4.15Å; T200-M391 HydrophobicContact CG2-SD 3.96Å; S223-M391 PolarHBondContact O-N 2.84Å; Y388-M391 HydrophobicContact CD1-CE 4.25Å; Y388-M391 HydrophobicContact CD2-CE 3.93Å; Y388-M391 HydrophobicContact CG-CE 3.56Å; M391-S393 VanDerWaalsContact C-N 3.28Å; M391-S393 PolarHBondContact O-N 2.87Å; M391-Q394 WeakPolarHBondContact O-CB 3.37Å; M391-Q394 PolarHBondContact O-N 3.06Å; M391-Q394 PolarHBondContact O-OE1 2.92Å; M391-Q394 HydrophobicContact SD-CB 4.43Å; M391-Q394 HydrophobicContact SD-CG 4.07Å; M391-Y395 HydrophobicContact CB-CD2 3.6Å; M391-Y395 HydrophobicContact CB-CE2 3.64Å; M391-Y395 HydrophobicContact CG-CE2 4.44Å; M391-Y395 WeakPolarHBondContact O-CD2 3.49Å; M391-Y395 PolarHBondContact O-N 2.9Å; M391-F425 HydrophobicContact CB-CZ 4.17Å
392	N	98.8	Very high	97.8	Very high	54 Å²	54	57 Å²	57	29%	0.289	28%	0.278	S	S	.	.	H	α-helix	trans	-48.5	-47.7	-176.7	-179.5	-84.3	0	0	0	112.5	S390 Q394 L396 F425	S390-N392 VanDerWaalsContact C-N 3.34Å; S390-N392 PolarHBondContact OG-N 2.74Å; N392-Q394 PolarHBondContact O-N 2.82Å; N392-L396 WeakPolarHBondContact O-CB 3.25Å; N392-L396 VanDerWaalsContact O-CG 3.27Å; N392-L396 WeakPolarHBondContact O-CG 3.42Å; N392-L396 PolarHBondContact O-N 2.98Å; N392-L396 VanDerWaalsContact OD1-CD1 3.3Å; N392-L396 WeakPolarHBondContact OD1-CD1 3.17Å; N392-F425 HydrophobicContact CB-CE2 4.04Å
393	S	98.7	Very high	98	Very high	74 Å²	74	62.1 Å²	62.1	52%	0.517	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-36.7	176.9	37.7	0	0	0	0	114.4	M391 K397	M391-S393 VanDerWaalsContact C-N 3.28Å; M391-S393 PolarHBondContact O-N 2.87Å; S393-K397 WeakPolarHBondContact O-CB 3.13Å; S393-K397 PolarHBondContact O-N 2.72Å
394	Q	98.8	Very high	98.1	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-70.9	-50.1	-178.6	-71.7	73.4	-4.5	0	0	109.7	P199 T200 V203 Y388 M391 N392 K397 L398	P199-Q394 HydrophobicContact CB-CB 3.72Å; P199-Q394 HydrophobicContact CB-CG 4.37Å; T200-Q394 HydrophobicContact CG2-CG 4.18Å; V203-Q394 HydrophobicContact CG2-CB 4Å; V203-Q394 HydrophobicContact CG2-CG 4.13Å; Y388-Q394 VanDerWaalsContact CD1-NE2 3.35Å; M391-Q394 WeakPolarHBondContact O-CB 3.37Å; M391-Q394 PolarHBondContact O-N 3.06Å; M391-Q394 PolarHBondContact O-OE1 2.92Å; M391-Q394 HydrophobicContact SD-CB 4.43Å; M391-Q394 HydrophobicContact SD-CG 4.07Å; N392-Q394 PolarHBondContact O-N 2.82Å; Q394-K397 PolarHBondContact O-N 3.24Å; Q394-L398 WeakPolarHBondContact O-CD1 3.05Å; Q394-L398 WeakPolarHBondContact O-CG 3.48Å; Q394-L398 PolarHBondContact O-N 3Å
395	Y	98.9	Very high	98.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-43.8	175.9	-78.8	-81	0	0	0	112	P199 L216 M391 K397 L398 L399 I406 L408 F425 L429 I461	P199-Y395 HydrophobicContact CB-CD2 4.26Å; P199-Y395 HydrophobicContact CB-CE2 3.98Å; P199-Y395 HydrophobicContact CG-CD2 4.19Å; P199-Y395 HydrophobicContact CG-CE1 4.4Å; P199-Y395 HydrophobicContact CG-CE2 3.42Å; P199-Y395 VanDerWaalsContact CG-CE2 3.42Å; L216-Y395 HydrophobicContact CD1-CE1 3.87Å; M391-Y395 HydrophobicContact CB-CD2 3.6Å; M391-Y395 HydrophobicContact CB-CE2 3.64Å; M391-Y395 HydrophobicContact CG-CE2 4.44Å; M391-Y395 WeakPolarHBondContact O-CD2 3.49Å; M391-Y395 PolarHBondContact O-N 2.9Å; Y395-K397 VanDerWaalsContact C-N 3.32Å; Y395-K397 PolarHBondContact O-N 3.03Å; Y395-L398 PolarHBondContact O-N 2.81Å; Y395-L399 VanDerWaalsContact O-CB 3.29Å; Y395-L399 WeakPolarHBondContact O-CB 3.47Å; Y395-L399 WeakPolarHBondContact O-CD1 3.37Å; Y395-L399 VanDerWaalsContact O-CG 3.23Å; Y395-L399 WeakPolarHBondContact O-CG 3.47Å; Y395-L399 PolarHBondContact O-N 3.3Å; Y395-I406 HydrophobicContact CD1-CD1 4.08Å; Y395-I406 HydrophobicContact CD1-CG2 3.84Å; Y395-I406 HydrophobicContact CE1-CG2 3.52Å; Y395-L408 HydrophobicContact CD1-CD1 4.5Å; Y395-L408 HydrophobicContact CE1-CD1 3.66Å; Y395-F425 AromaticContact CD2-CE1 3.46Å; Y395-F425 HydrophobicContact CD2-CE1 3.46Å; Y395-F425 VanDerWaalsContact CD2-CE1 3.46Å; Y395-F425 AromaticContact CD2-CZ 3.46Å; Y395-F425 HydrophobicContact CD2-CZ 3.46Å; Y395-F425 VanDerWaalsContact CD2-CZ 3.46Å; Y395-F425 AromaticContact CE2-CE1 3.61Å; Y395-F425 HydrophobicContact CE2-CE1 3.61Å; Y395-F425 AromaticContact CE2-CZ 3.94Å; Y395-F425 HydrophobicContact CE2-CZ 3.94Å; Y395-F425 HydrophobicContact CG-CE1 4.05Å; Y395-F425 HydrophobicContact CG-CZ 4.19Å; Y395-L429 HydrophobicContact CG-CD1 4.45Å; Y395-I461 HydrophobicContact CD1-CD1 4.26Å
396	L	98.8	Very high	98.2	Very high	65 Å²	65	51.2 Å²	51.2	34%	0.34	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-36.6	175.2	-71	177.8	0	0	0	112.8	N392 S400 L429	N392-L396 WeakPolarHBondContact O-CB 3.25Å; N392-L396 VanDerWaalsContact O-CG 3.27Å; N392-L396 WeakPolarHBondContact O-CG 3.42Å; N392-L396 PolarHBondContact O-N 2.98Å; N392-L396 VanDerWaalsContact OD1-CD1 3.3Å; N392-L396 WeakPolarHBondContact OD1-CD1 3.17Å; L396-S400 WeakPolarHBondContact O-CB 3.17Å; L396-S400 PolarHBondContact O-N 3.3Å; L396-L429 HydrophobicContact CD2-CB 4.39Å; L396-L429 HydrophobicContact CD2-CD2 4.09Å; L396-L429 HydrophobicContact CG-CD2 3.98Å
397	K	98.8	Very high	98.2	Very high	84 Å²	84	48.2 Å²	48.2	37%	0.365	24%	0.244	S	C	.	.	H	α-helix	trans	-69	-35.2	175.2	-173.9	-178.3	172.1	-170.4	0	112.5	V203 M206 S393 Q394 Y395 S400	V203-K397 HydrophobicContact CG1-CD 3.99Å; V203-K397 HydrophobicContact CG2-CD 4.22Å; M206-K397 HydrophobicContact CE-CG 4.34Å; M206-K397 HydrophobicContact SD-CD 4.21Å; M206-K397 HydrophobicContact SD-CG 3.99Å; S393-K397 WeakPolarHBondContact O-CB 3.13Å; S393-K397 PolarHBondContact O-N 2.72Å; Q394-K397 PolarHBondContact O-N 3.24Å; Y395-K397 VanDerWaalsContact C-N 3.32Å; Y395-K397 PolarHBondContact O-N 3.03Å; K397-S400 PolarHBondContact O-OG 3Å
398	L	98.7	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.2	-45.6	174.9	-69	160.7	0	0	0	110.8	A202 V203 M206 L216 Q394 Y395 S400 S401 Y404 I406	A202-L398 HydrophobicContact CB-CD1 3.82Å; A202-L398 HydrophobicContact CB-CD2 3.79Å; A202-L398 HydrophobicContact CB-CG 4.46Å; V203-L398 HydrophobicContact CG2-CD1 4.38Å; V203-L398 HydrophobicContact CG2-CG 4.17Å; M206-L398 HydrophobicContact CB-CD2 4.33Å; M206-L398 HydrophobicContact CG-CD2 4.43Å; M206-L398 HydrophobicContact SD-CD2 3.82Å; M206-L398 HydrophobicContact SD-CG 4.45Å; L216-L398 HydrophobicContact CD1-CD1 4.3Å; L216-L398 HydrophobicContact CD2-CD1 4.04Å; Q394-L398 WeakPolarHBondContact O-CD1 3.05Å; Q394-L398 WeakPolarHBondContact O-CG 3.48Å; Q394-L398 PolarHBondContact O-N 3Å; Y395-L398 PolarHBondContact O-N 2.81Å; L398-S400 PolarHBondContact O-N 2.57Å; L398-S401 WeakPolarHBondContact O-CB 3.24Å; L398-S401 PolarHBondContact O-N 3.05Å; L398-S401 PolarHBondContact O-OG 3.3Å; L398-Y404 HydrophobicContact CB-CD2 4.33Å; L398-Y404 HydrophobicContact CD2-CD2 3.99Å; L398-Y404 HydrophobicContact CD2-CE2 4.14Å; L398-I406 HydrophobicContact CB-CD1 4.05Å
399	L	98.5	Very high	98.3	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-35	179.5	-74.1	164.3	0	0	0	113.1	Y395 S401 Q402 I406 L429 Q431 H460 I461	Y395-L399 VanDerWaalsContact O-CB 3.29Å; Y395-L399 WeakPolarHBondContact O-CB 3.47Å; Y395-L399 WeakPolarHBondContact O-CD1 3.37Å; Y395-L399 VanDerWaalsContact O-CG 3.23Å; Y395-L399 WeakPolarHBondContact O-CG 3.47Å; Y395-L399 PolarHBondContact O-N 3.3Å; L399-S401 PolarHBondContact O-N 3.3Å; L399-Q402 PolarHBondContact O-N 2.75Å; L399-Q402 PolarHBondContact O-NE2 3.37Å; L399-I406 HydrophobicContact CD2-CD1 3.98Å; L399-I406 HydrophobicContact CG-CD1 3.95Å; L399-L429 HydrophobicContact CD1-CD1 4.12Å; L399-Q431 HydrophobicContact CD1-CG 3.86Å; L399-H460 HydrophobicContact CD2-CB 3.89Å; L399-I461 HydrophobicContact CD1-CD1 4.46Å; L399-I461 HydrophobicContact CD1-CG2 4.28Å; L399-I461 HydrophobicContact CD2-CB 4.04Å; L399-I461 HydrophobicContact CD2-CG2 4.02Å
400	S	97.9	Very high	98.4	Very high	95 Å²	95	34.8 Å²	34.8	66%	0.664	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.9	178.2	70.4	0	0	0	0	113.9	L396 K397 L398	L396-S400 WeakPolarHBondContact O-CB 3.17Å; L396-S400 PolarHBondContact O-N 3.3Å; K397-S400 PolarHBondContact O-OG 3Å; L398-S400 PolarHBondContact O-N 2.57Å
401	S	96.1	Very high	98.4	Very high	34 Å²	34	33.4 Å²	33.4	24%	0.238	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-27.3	172.8	75.8	0	0	0	0	114.1	L398 L399 K403 Y404	L398-S401 WeakPolarHBondContact O-CB 3.24Å; L398-S401 PolarHBondContact O-N 3.05Å; L398-S401 PolarHBondContact O-OG 3.3Å; L399-S401 PolarHBondContact O-N 3.3Å; S401-K403 PolarHBondContact O-N 2.78Å; S401-K403 PolarHBondContact OG-N 3.04Å; S401-Y404 VanDerWaalsContact OG-CD2 3.29Å; S401-Y404 WeakPolarHBondContact OG-CD2 2.99Å; S401-Y404 WeakPolarHBondContact OG-CE2 3.36Å
402	Q	95.6	Very high	98.4	Very high	89 Å²	89	35 Å²	35	42%	0.416	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	32.9	-169.4	-56.8	-75.6	-81.9	0	0	113.4	L399 H460	L399-Q402 PolarHBondContact O-N 2.75Å; L399-Q402 PolarHBondContact O-NE2 3.37Å; Q402-H460 PolarHBondContact O-NE2 3.49Å; Q402-H460 VanDerWaalsContact O-NE2 3.16Å; Q402-H460 PolarHBondContact OE1-CE1 2.58Å; Q402-H460 VanDerWaalsContact OE1-CE1 3.28Å; Q402-H460 PolarHBondContact OE1-ND1 3.19Å
403	K	97.7	Very high	98.4	Very high	146 Å²	146	32.8 Å²	32.8	64%	0.635	18%	0.175	S	C	*	.			trans	-105.9	-35.1	177.7	-68.3	177.1	-176.2	-179.2	0	113.5	S401	S401-K403 PolarHBondContact O-N 2.78Å; S401-K403 PolarHBondContact OG-N 3.04Å
404	Y	98.5	Very high	98.4	Very high	18 Å²	18	29.2 Å²	29.2	7%	0.071	15%	0.15	C	C	.	.			trans	-97.7	142.6	-167.4	-47.2	-54.9	0	0	0	111.1	M206 L213 L398 S401	M206-Y404 HydrophobicContact CB-CE2 3.92Å; M206-Y404 WeakPolarHBondContact CB-OH 3.26Å; M206-Y404 HydrophobicContact CE-CE2 4.33Å; L213-Y404 HydrophobicContact CB-CD1 4.41Å; L213-Y404 HydrophobicContact CB-CE1 4.01Å; L213-Y404 HydrophobicContact CD2-CD1 4.02Å; L213-Y404 HydrophobicContact CD2-CE1 3.82Å; L213-Y404 HydrophobicContact CD2-CG 4.48Å; L213-Y404 HydrophobicContact CG-CD1 3.85Å; L213-Y404 HydrophobicContact CG-CE1 3.84Å; L213-Y404 WeakPolarHBondContact O-CD1 3.09Å; L213-Y404 VanDerWaalsContact O-CE1 3.31Å; L213-Y404 WeakPolarHBondContact O-CE1 3.23Å; L398-Y404 HydrophobicContact CB-CD2 4.33Å; L398-Y404 HydrophobicContact CD2-CD2 3.99Å; L398-Y404 HydrophobicContact CD2-CE2 4.14Å; S401-Y404 VanDerWaalsContact OG-CD2 3.29Å; S401-Y404 WeakPolarHBondContact OG-CD2 2.99Å; S401-Y404 WeakPolarHBondContact OG-CE2 3.36Å
405	Q	98.4	Very high	98.4	Very high	25 Å²	25	28.7 Å²	28.7	12%	0.117	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.6	169.9	179.6	-177.4	-7.5	0	0	109.5	Q214 G215 L216 F488	Q214-Q405 PolarHBondContact O-N 3.14Å; G215-Q405 CarbonylContact C-O 3.48Å; G215-Q405 WeakPolarHBondContact CA-O 3.47Å; L216-Q405 PolarHBondContact N-O 3.39Å; Q405-F488 HydrophobicContact CB-CE2 4.49Å; Q405-F488 HydrophobicContact CG-CD2 4.11Å; Q405-F488 HydrophobicContact CG-CE2 3.95Å; Q405-F488 PolarHBondContact NE2-O 3.28Å; Q405-F488 PolarHBondContact OE1-O 2.77Å
406	I	98.9	Very high	98.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135	-175.9	-53.4	-171.9	0	0	0	109.7	L216 Y395 L398 L399 L408 H460 I461 A462	L216-I406 HydrophobicContact CD1-CG2 4.3Å; L216-I406 HydrophobicContact CD2-CD1 4.1Å; L216-I406 HydrophobicContact CD2-CG1 3.86Å; L216-I406 HydrophobicContact CG-CG1 4.17Å; L216-I406 HydrophobicContact CG-CG2 4.19Å; L216-I406 WeakPolarHBondContact O-CA 3.03Å; Y395-I406 HydrophobicContact CD1-CD1 4.08Å; Y395-I406 HydrophobicContact CD1-CG2 3.84Å; Y395-I406 HydrophobicContact CE1-CG2 3.52Å; L398-I406 HydrophobicContact CB-CD1 4.05Å; L399-I406 HydrophobicContact CD2-CD1 3.98Å; L399-I406 HydrophobicContact CG-CD1 3.95Å; I406-L408 HydrophobicContact CG2-CD1 4.04Å; I406-H460 WeakPolarHBondContact CB-O 3.3Å; I406-H460 PolarHBondContact N-O 3.24Å; I406-I461 HydrophobicContact CB-CB 4.02Å; I406-I461 HydrophobicContact CB-CD1 4.29Å; I406-I461 HydrophobicContact CB-CG1 3.94Å; I406-I461 HydrophobicContact CG2-CB 4.41Å; I406-I461 HydrophobicContact CG2-CD1 3.75Å; I406-I461 HydrophobicContact CG2-CG1 3.79Å; I406-I461 WeakPolarHBondContact O-CA 3.01Å; I406-A462 PolarHBondContact O-N 3.09Å
407	L	98.9	Very high	98.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.3	172.7	176.4	63.2	0	0	0	109.4	L216 A217 V218 Y409 A462 L464 M484 F488 Y494	L216-L407 PolarHBondContact O-N 3.22Å; A217-L407 CarbonylContact C-O 3.56Å; A217-L407 VanDerWaalsContact CA-O 3.25Å; A217-L407 WeakPolarHBondContact CA-O 3.46Å; A217-L407 HydrophobicContact CB-CB 4.02Å; A217-L407 HydrophobicContact CB-CD2 4.29Å; A217-L407 HydrophobicContact CB-CG 4.49Å; V218-L407 PolarHBondContact N-O 2.99Å; L407-Y409 HydrophobicContact CD2-CD1 3.97Å; L407-Y409 HydrophobicContact CG-CD1 4.1Å; L407-A462 WeakPolarHBondContact CA-O 3.07Å; L407-A462 HydrophobicContact CD1-CB 4.08Å; L407-L464 HydrophobicContact CD1-CB 3.95Å; L407-M484 HydrophobicContact CD2-CE 4.28Å; L407-M484 HydrophobicContact CD2-CG 3.92Å; L407-M484 HydrophobicContact CD2-SD 4.01Å; L407-F488 HydrophobicContact CB-CD2 3.81Å; L407-F488 HydrophobicContact CB-CE2 3.92Å; L407-F488 HydrophobicContact CD2-CB 4.23Å; L407-F488 HydrophobicContact CD2-CD2 4.15Å; L407-F488 HydrophobicContact CD2-CG 4.32Å; L407-Y494 HydrophobicContact CD1-CE1 4.26Å; L407-Y494 HydrophobicContact CD1-CE2 4.38Å; L407-Y494 HydrophobicContact CD2-CE1 4.02Å
408	L	98.9	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.5	157.1	-74.2	77	0	0	0	107	V218 S223 Y395 I406 D422 F425 V426 I461 A462 F463 L464	V218-L408 WeakPolarHBondContact O-CA 3.11Å; S223-L408 WeakPolarHBondContact OG-CD2 3.4Å; Y395-L408 HydrophobicContact CD1-CD1 4.5Å; Y395-L408 HydrophobicContact CE1-CD1 3.66Å; I406-L408 HydrophobicContact CG2-CD1 4.04Å; L408-D422 HydrophobicContact CD2-CB 4.32Å; L408-F425 HydrophobicContact CD2-CD1 3.85Å; L408-F425 HydrophobicContact CD2-CE1 4.27Å; L408-V426 HydrophobicContact CB-CG2 4.17Å; L408-V426 HydrophobicContact CD1-CG2 3.95Å; L408-V426 HydrophobicContact CD2-CG2 3.85Å; L408-V426 HydrophobicContact CG-CG2 4.22Å; L408-I461 HydrophobicContact CD1-CD1 3.93Å; L408-I461 HydrophobicContact CD1-CG1 4.41Å; L408-A462 PolarHBondContact N-O 2.88Å; L408-F463 HydrophobicContact CB-CD2 4.37Å; L408-F463 CarbonylContact O-C 3.59Å; L408-F463 WeakPolarHBondContact O-CA 3.02Å; L408-L464 PolarHBondContact O-N 3.5Å
409	Y	98.9	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.7	179.9	70.1	-97	0	0	0	111	A217 V218 G219 N220 L407 L464 I466 V473 M484	A217-Y409 HydrophobicContact CB-CD1 4.46Å; A217-Y409 HydrophobicContact CB-CE1 4.19Å; V218-Y409 WeakPolarHBondContact O-CD1 3.36Å; V218-Y409 PolarHBondContact O-N 2.83Å; G219-Y409 CarbonylContact C-O 3.55Å; G219-Y409 VanDerWaalsContact CA-O 3.29Å; G219-Y409 WeakPolarHBondContact CA-O 3.36Å; N220-Y409 PolarHBondContact N-O 2.83Å; L407-Y409 HydrophobicContact CD2-CD1 3.97Å; L407-Y409 HydrophobicContact CG-CD1 4.1Å; Y409-L464 CarbonylContact C-O 3.58Å; Y409-L464 WeakPolarHBondContact CA-O 3.3Å; Y409-I466 HydrophobicContact CD2-CD1 3.72Å; Y409-I466 HydrophobicContact CG-CD1 4.22Å; Y409-V473 HydrophobicContact CD2-CB 4.36Å; Y409-V473 HydrophobicContact CD2-CG1 4.25Å; Y409-V473 HydrophobicContact CD2-CG2 4.24Å; Y409-V473 HydrophobicContact CE2-CB 4.03Å; Y409-V473 HydrophobicContact CE2-CG1 4.19Å; Y409-V473 HydrophobicContact CE2-CG2 4.26Å; Y409-M484 VanDerWaalsContact CB-SD 3.53Å; Y409-M484 HydrophobicContact CD1-CE 3.54Å; Y409-M484 HydrophobicContact CD1-SD 3.88Å; Y409-M484 HydrophobicContact CD2-CE 3.82Å; Y409-M484 HydrophobicContact CD2-SD 3.9Å; Y409-M484 HydrophobicContact CE1-CE 3.66Å; Y409-M484 HydrophobicContact CE2-CE 3.95Å; Y409-M484 HydrophobicContact CG-CE 3.62Å; Y409-M484 HydrophobicContact CG-SD 3.49Å
410	N	98.9	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.3	-175.5	-65.7	72.2	0	0	0	111.6	N220 D412 C417 F419 D422 F463 L464 T465 I466	N220-N410 VanDerWaalsContact OD1-CA 3.27Å; N220-N410 WeakPolarHBondContact OD1-CA 3.24Å; N410-D412 PolarHBondContact O-N 3.19Å; N410-C417 PolarHBondContact ND2-O 2.8Å; N410-F419 HydrophobicContact CB-CB 3.56Å; N410-D422 PolarHBondContact ND2-OD2 2.98Å; N410-D422 WeakPolarHBondContact OD1-CB 3.26Å; N410-D422 PolarHBondContact OD1-OD2 2.99Å; N410-F463 WeakPolarHBondContact OD1-CE2 3.49Å; N410-L464 PolarHBondContact N-O 2.9Å; N410-T465 CarbonylContact O-C 3Å; N410-T465 VanDerWaalsContact O-CA 3.25Å; N410-T465 WeakPolarHBondContact O-CA 3.44Å; N410-I466 PolarHBondContact O-N 2.97Å
411	G	98.9	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	127.3	159.5	0	0	0	0	0	110.5	N220 V413 I466 A469 G470 V473	N220-G411 PolarHBondContact ND2-N 2.87Å; N220-G411 PolarHBondContact OD1-N 2.81Å; G411-V413 VanDerWaalsContact C-N 3.26Å; G411-V413 PolarHBondContact O-N 3.26Å; G411-I466 WeakPolarHBondContact CA-O 3.3Å; G411-A469 CarbonylContact C-O 3.54Å; G411-A469 WeakPolarHBondContact CA-O 3.49Å; G411-G470 WeakPolarHBondContact CA-O 3.49Å; G411-V473 VanDerWaalsContact N-CG2 3.32Å
412	D	98.8	Very high	98.6	Very high	32 Å²	32	20.1 Å²	20.1	17%	0.171	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.2	-172	67.7	3.5	0	0	0	115.2	N410 F419 I466 K467 G468 A469	N410-D412 PolarHBondContact O-N 3.19Å; D412-F419 HydrophobicContact CB-CB 4.45Å; D412-F419 HydrophobicContact CB-CD1 3.7Å; D412-F419 HydrophobicContact CB-CE1 4.17Å; D412-F419 HydrophobicContact CB-CG 4.08Å; D412-I466 PolarHBondContact N-O 3.28Å; D412-I466 VanDerWaalsContact N-O 3.15Å; D412-K467 WeakPolarHBondContact OD1-CA 3.24Å; D412-K467 WeakPolarHBondContact OD2-CA 3.45Å; D412-G468 PolarHBondContact OD1-N 2.88Å; D412-A469 PolarHBondContact N-O 3.45Å; D412-A469 VanDerWaalsContact N-O 3.14Å
413	V	98.8	Very high	98.7	Very high	8 Å²	8	17 Å²	17	5%	0.048	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	7.6	175.5	-44.6	0	0	0	0	113.8	N290 L291 Y292 G411 A469	N290-V413 HydrophobicContact CB-CG2 4.43Å; N290-V413 VanDerWaalsContact OD1-CG2 3.3Å; N290-V413 WeakPolarHBondContact OD1-CG2 3.31Å; L291-V413 PolarHBondContact N-O 2.04Å; Y292-V413 HydrophobicContact CD2-CB 3.77Å; Y292-V413 HydrophobicContact CD2-CG1 3.63Å; Y292-V413 HydrophobicContact CD2-CG2 4.17Å; Y292-V413 HydrophobicContact CE2-CB 3.85Å; Y292-V413 HydrophobicContact CE2-CG1 3.45Å; Y292-V413 VanDerWaalsContact CE2-CG1 3.45Å; G411-V413 VanDerWaalsContact C-N 3.26Å; G411-V413 PolarHBondContact O-N 3.26Å; V413-A469 VanDerWaalsContact CG2-O 3.26Å; V413-A469 WeakPolarHBondContact CG2-O 3.46Å; V413-A469 PolarHBondContact N-O 3.34Å
414	D	98.8	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.			trans	-75.5	140.4	169.6	180	28.6	0	0	0	111.9	N220 A416 C417 N418 H471	N220-D414 WeakPolarHBondContact ND2-CB 3.25Å; N220-D414 PolarHBondContact ND2-OD2 2.93Å; D414-A416 WeakPolarHBondContact OD1-CB 3.43Å; D414-A416 PolarHBondContact OD1-N 2.73Å; D414-C417 VanDerWaalsContact OD2-CA 3.28Å; D414-C417 WeakPolarHBondContact OD2-CA 3.3Å; D414-C417 PolarHBondContact OD2-N 3.42Å; D414-N418 VanDerWaalsContact O-CA 3.3Å; D414-N418 WeakPolarHBondContact O-CA 3.38Å; D414-N418 WeakPolarHBondContact O-CB 3.19Å; D414-H471 HydrophobicContact CB-CB 4.48Å; D414-H471 VanDerWaalsContact CG-ND1 3.31Å; D414-H471 IonicContact OD1-CG 2.78Å; D414-H471 IonicContact OD1-ND1 2.8Å; D414-H471 PolarHBondContact OD1-ND1 2.87Å; D414-H471 IonicContact OD2-CE1 2.73Å; D414-H471 IonicContact OD2-CG 3.54Å; D414-H471 IonicContact OD2-ND1 1.9Å; D414-H471 PolarHBondContact OD2-ND1 3.28Å
415	M	98.7	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-108.3	-19.6	172.5	-61.7	-169.2	-68.1	0	0	112.9	L232 F235 L241 V281 L286 I288 L291	L232-M415 HydrophobicContact CD1-CB 3.89Å; L232-M415 VanDerWaalsContact CD1-O 3.29Å; L232-M415 WeakPolarHBondContact CD1-O 3.29Å; F235-M415 HydrophobicContact CD1-CG 3.85Å; F235-M415 HydrophobicContact CD1-SD 4.27Å; F235-M415 HydrophobicContact CE1-CG 3.47Å; F235-M415 VanDerWaalsContact CE1-CG 3.47Å; F235-M415 HydrophobicContact CE1-SD 4.05Å; F235-M415 HydrophobicContact CZ-CG 4.25Å; L241-M415 HydrophobicContact CD1-CE 4.32Å; L241-M415 HydrophobicContact CD1-SD 3.47Å; L241-M415 WeakPolarHBondContact CD1-SD 3.48Å; V281-M415 HydrophobicContact CG1-CB 4.26Å; V281-M415 HydrophobicContact CG1-CE 4.32Å; V281-M415 HydrophobicContact CG1-SD 4.34Å; L286-M415 HydrophobicContact CB-CE 4.3Å; I288-M415 HydrophobicContact CG1-CB 3.8Å; I288-M415 WeakPolarHBondContact O-CA 3.24Å; I288-M415 VanDerWaalsContact O-CB 3.31Å; I288-M415 WeakPolarHBondContact O-CB 3.47Å; I288-M415 PolarHBondContact O-N 2.91Å; L291-M415 HydrophobicContact CB-CE 4.3Å; L291-M415 HydrophobicContact CB-CG 4.5Å; L291-M415 HydrophobicContact CB-SD 4.36Å; L291-M415 HydrophobicContact CD1-CE 3.85Å; L291-M415 HydrophobicContact CD1-SD 4.02Å
416	A	98	Very high	98.8	Very high	10 Å²	10	12.6 Å²	12.6	8%	0.083	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-45.2	-179.7	0	0	0	0	0	111.9	N228 I288 Y289 I318 D414	N228-A416 PolarHBondContact ND2-O 3.22Å; I288-A416 HydrophobicContact CG1-CB 4.32Å; I288-A416 PolarHBondContact O-N 3.32Å; Y289-A416 HydrophobicContact CD1-CB 3.61Å; Y289-A416 HydrophobicContact CE1-CB 3.59Å; I318-A416 HydrophobicContact CD1-CB 4.49Å; D414-A416 WeakPolarHBondContact OD1-CB 3.43Å; D414-A416 PolarHBondContact OD1-N 2.73Å
417	C	98.6	Very high	98.8	Very high	7 Å²	7	15.2 Å²	15.2	5%	0.047	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	61.7	173.2	-70.4	0	0	0	0	110	N220 N228 N410 D414	N220-C417 HydrophobicContact CB-CB 4.13Å; N220-C417 PolarHBondContact ND2-O 3.42Å; N220-C417 WeakPolarHBondContact O-CB 3.4Å; N220-C417 PolarHBondContact O-SG 3.12Å; N228-C417 WeakPolarHBondContact ND2-CA 3.2Å; N410-C417 PolarHBondContact ND2-O 2.8Å; D414-C417 VanDerWaalsContact OD2-CA 3.28Å; D414-C417 WeakPolarHBondContact OD2-CA 3.3Å; D414-C417 PolarHBondContact OD2-N 3.42Å
418	N	98.8	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.			trans	-54.9	141.9	-175.3	74.5	85.5	0	0	0	113	S231 L232 F235 D414 M420 G421	S231-N418 WeakPolarHBondContact CB-OD1 3.37Å; S231-N418 VanDerWaalsContact OG-CG 3.22Å; S231-N418 PolarHBondContact OG-ND2 3.35Å; S231-N418 PolarHBondContact OG-OD1 3.16Å; L232-N418 PolarHBondContact N-ND2 3.26Å; F235-N418 HydrophobicContact CD2-CB 3.88Å; F235-N418 HydrophobicContact CE2-CB 4.24Å; F235-N418 HydrophobicContact CG-CB 4.38Å; D414-N418 VanDerWaalsContact O-CA 3.3Å; D414-N418 WeakPolarHBondContact O-CA 3.38Å; D414-N418 WeakPolarHBondContact O-CB 3.19Å; N418-M420 PolarHBondContact O-N 2.8Å; N418-M420 WeakPolarHBondContact OD1-CB 3.28Å; N418-M420 PolarHBondContact OD1-N 2.87Å; N418-G421 PolarHBondContact O-N 3.17Å; N418-G421 VanDerWaalsContact O-N 3.08Å; N418-G421 PolarHBondContact OD1-N 2.76Å
419	F	98.9	Very high	98.7	Very high	33 Å²	33	18 Å²	18	15%	0.145	9%	0.093	C	C	.	.	H	α-helix	trans	-54.9	-30.9	-174	81.4	-87	0	0	0	114.6	F235 N410 D412 G421 D422 E423 F463 T465	F235-F419 HydrophobicContact CD2-CE1 4.3Å; F235-F419 HydrophobicContact CE2-CD1 4.2Å; F235-F419 HydrophobicContact CE2-CE1 4.05Å; N410-F419 HydrophobicContact CB-CB 3.56Å; D412-F419 HydrophobicContact CB-CB 4.45Å; D412-F419 HydrophobicContact CB-CD1 3.7Å; D412-F419 HydrophobicContact CB-CE1 4.17Å; D412-F419 HydrophobicContact CB-CG 4.08Å; F419-G421 VanDerWaalsContact C-N 3.34Å; F419-G421 PolarHBondContact O-N 2.93Å; F419-D422 PolarHBondContact O-N 3.38Å; F419-E423 WeakPolarHBondContact O-CB 3.23Å; F419-E423 PolarHBondContact O-N 3.39Å; F419-F463 HydrophobicContact CB-CZ 4.2Å; F419-F463 HydrophobicContact CD2-CZ 4.4Å; F419-F463 VanDerWaalsContact O-CZ 3.27Å; F419-F463 WeakPolarHBondContact O-CZ 3.46Å; F419-T465 HydrophobicContact CB-CG2 4.16Å; F419-T465 HydrophobicContact CD2-CG2 3.78Å; F419-T465 HydrophobicContact CG-CG2 4.17Å
420	M	98.9	Very high	98.6	Very high	44 Å²	44	24.9 Å²	24.9	22%	0.217	13%	0.13	C	C	.	.	H	α-helix	trans	-70.3	-33.3	-176.6	-174.6	-176.6	-58.3	0	0	111.6	N418 W424	N418-M420 PolarHBondContact O-N 2.8Å; N418-M420 WeakPolarHBondContact OD1-CB 3.28Å; N418-M420 PolarHBondContact OD1-N 2.87Å; M420-W424 HydrophobicContact CG-CD2 4.21Å; M420-W424 HydrophobicContact CG-CH2 4.47Å; M420-W424 HydrophobicContact CG-CZ2 3.73Å; M420-W424 WeakPolarHBondContact O-CB 3.21Å; M420-W424 PolarHBondContact O-N 2.88Å; M420-W424 HydrophobicContact SD-CH2 4.07Å; M420-W424 HydrophobicContact SD-CZ2 3.46Å; M420-W424 WeakPolarHBondContact SD-CZ2 3.46Å
421	G	98.8	Very high	98.5	Very high	4 Å²	4	27 Å²	27	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-67.2	-40	176.8	0	0	0	0	0	112.5	Q227 S231 N418 F419 F425	Q227-G421 PolarHBondContact OE1-O 3.24Å; S231-G421 VanDerWaalsContact OG-CA 3.25Å; S231-G421 WeakPolarHBondContact OG-CA 3.37Å; S231-G421 PolarHBondContact OG-N 3.42Å; N418-G421 PolarHBondContact O-N 3.17Å; N418-G421 VanDerWaalsContact O-N 3.08Å; N418-G421 PolarHBondContact OD1-N 2.76Å; F419-G421 VanDerWaalsContact C-N 3.34Å; F419-G421 PolarHBondContact O-N 2.93Å; G421-F425 WeakPolarHBondContact O-CB 3.22Å; G421-F425 PolarHBondContact O-N 3.02Å; G421-F425 VanDerWaalsContact O-N 3.08Å
422	D	98.9	Very high	98.1	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-78	-32.2	175	-81.1	-44.8	0	0	0	113	G221 S223 L408 N410 F419 F425 V426 F463	G221-D422 PolarHBondContact N-OD2 3.14Å; G221-D422 VanDerWaalsContact N-OD2 3.12Å; S223-D422 WeakPolarHBondContact CB-OD1 3.46Å; S223-D422 PolarHBondContact OG-OD1 3.18Å; L408-D422 HydrophobicContact CD2-CB 4.32Å; N410-D422 PolarHBondContact ND2-OD2 2.98Å; N410-D422 WeakPolarHBondContact OD1-CB 3.26Å; N410-D422 PolarHBondContact OD1-OD2 2.99Å; F419-D422 PolarHBondContact O-N 3.38Å; D422-F425 WeakPolarHBondContact O-CB 3.27Å; D422-F425 PolarHBondContact O-N 2.86Å; D422-F425 VanDerWaalsContact O-N 3.11Å; D422-V426 WeakPolarHBondContact O-CG2 3.35Å; D422-V426 PolarHBondContact O-N 3.4Å; D422-F463 HydrophobicContact CB-CD2 4.38Å; D422-F463 HydrophobicContact CB-CE2 3.89Å
423	E	98.9	Very high	97.8	Very high	22 Å²	22	37.3 Å²	37.3	10%	0.103	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-45.1	172.5	-168.2	160.3	-175.2	0	0	110.7	F419 F425 D427 R437 F463	F419-E423 WeakPolarHBondContact O-CB 3.23Å; F419-E423 PolarHBondContact O-N 3.39Å; E423-F425 VanDerWaalsContact C-N 3.26Å; E423-F425 PolarHBondContact O-N 2.81Å; E423-D427 WeakPolarHBondContact O-CB 3.49Å; E423-D427 PolarHBondContact O-N 2.84Å; E423-R437 IonicContact OE1-CZ 3.27Å; E423-R437 IonicContact OE1-NE 2.68Å; E423-R437 PolarHBondContact OE1-NE 2.96Å; E423-R437 IonicContact OE1-NH2 3.42Å; E423-R437 PolarHBondContact OE1-NH2 2.94Å; E423-R437 IonicContact OE2-CZ 2.96Å; E423-R437 IonicContact OE2-NE 3.7Å; E423-R437 IonicContact OE2-NH2 3.86Å; E423-R437 PolarHBondContact OE2-NH2 2.86Å; E423-F463 HydrophobicContact CB-CD1 3.89Å; E423-F463 HydrophobicContact CB-CD2 4.37Å; E423-F463 HydrophobicContact CB-CE1 3.49Å; E423-F463 VanDerWaalsContact CB-CE1 3.49Å; E423-F463 HydrophobicContact CB-CE2 4.01Å; E423-F463 HydrophobicContact CB-CG 4.32Å; E423-F463 HydrophobicContact CB-CZ 3.56Å; E423-F463 HydrophobicContact CG-CD1 3.66Å; E423-F463 HydrophobicContact CG-CE1 3.61Å; E423-F463 HydrophobicContact CG-CG 4.33Å; E423-F463 HydrophobicContact CG-CZ 4.22Å; E423-F463 WeakPolarHBondContact OE2-CE1 3.12Å
424	W	98.8	Very high	97.4	Very high	97 Å²	97	42.3 Å²	42.3	37%	0.367	21%	0.208	S	C	.	.	H	α-helix	trans	-61.6	-35.1	171.9	-67.1	-4	0	0	0	112.1	Q227 N230 Y234 M420 S428	Q227-W424 VanDerWaalsContact OE1-CB 3.31Å; Q227-W424 PolarHBondContact OE1-O 3.07Å; N230-W424 HydrophobicContact CB-CZ3 4.24Å; Y234-W424 AromaticContact CD2-CH2 3.86Å; Y234-W424 HydrophobicContact CD2-CH2 3.86Å; Y234-W424 HydrophobicContact CE2-CH2 4.14Å; M420-W424 HydrophobicContact CG-CD2 4.21Å; M420-W424 HydrophobicContact CG-CH2 4.47Å; M420-W424 HydrophobicContact CG-CZ2 3.73Å; M420-W424 WeakPolarHBondContact O-CB 3.21Å; M420-W424 PolarHBondContact O-N 2.88Å; M420-W424 HydrophobicContact SD-CH2 4.07Å; M420-W424 HydrophobicContact SD-CZ2 3.46Å; M420-W424 WeakPolarHBondContact SD-CZ2 3.46Å; W424-S428 VanDerWaalsContact O-CB 3.31Å; W424-S428 WeakPolarHBondContact O-CB 3.05Å; W424-S428 PolarHBondContact O-N 2.98Å
425	F	98.9	Very high	97	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-50.8	-178.9	173.4	-99.6	0	0	0	110.9	S223 S390 M391 N392 Y395 L408 G421 D422 E423 D427 S428 L429	S223-F425 VanDerWaalsContact CB-CD1 3.42Å; S390-F425 WeakPolarHBondContact OG-CE2 3.23Å; M391-F425 HydrophobicContact CB-CZ 4.17Å; N392-F425 HydrophobicContact CB-CE2 4.04Å; Y395-F425 AromaticContact CD2-CE1 3.46Å; Y395-F425 HydrophobicContact CD2-CE1 3.46Å; Y395-F425 VanDerWaalsContact CD2-CE1 3.46Å; Y395-F425 AromaticContact CD2-CZ 3.46Å; Y395-F425 HydrophobicContact CD2-CZ 3.46Å; Y395-F425 VanDerWaalsContact CD2-CZ 3.46Å; Y395-F425 AromaticContact CE2-CE1 3.61Å; Y395-F425 HydrophobicContact CE2-CE1 3.61Å; Y395-F425 AromaticContact CE2-CZ 3.94Å; Y395-F425 HydrophobicContact CE2-CZ 3.94Å; Y395-F425 HydrophobicContact CG-CE1 4.05Å; Y395-F425 HydrophobicContact CG-CZ 4.19Å; L408-F425 HydrophobicContact CD2-CD1 3.85Å; L408-F425 HydrophobicContact CD2-CE1 4.27Å; G421-F425 WeakPolarHBondContact O-CB 3.22Å; G421-F425 PolarHBondContact O-N 3.02Å; G421-F425 VanDerWaalsContact O-N 3.08Å; D422-F425 WeakPolarHBondContact O-CB 3.27Å; D422-F425 PolarHBondContact O-N 2.86Å; D422-F425 VanDerWaalsContact O-N 3.11Å; E423-F425 VanDerWaalsContact C-N 3.26Å; E423-F425 PolarHBondContact O-N 2.81Å; F425-D427 VanDerWaalsContact C-N 3.31Å; F425-D427 PolarHBondContact O-N 2.65Å; F425-S428 PolarHBondContact O-N 2.78Å; F425-S428 VanDerWaalsContact O-N 3.09Å; F425-S428 PolarHBondContact O-OG 2.8Å; F425-L429 HydrophobicContact CE1-CD1 4.12Å; F425-L429 HydrophobicContact CE1-CG 4.48Å; F425-L429 HydrophobicContact CZ-CD2 4.12Å; F425-L429 HydrophobicContact CZ-CG 4.5Å; F425-L429 PolarHBondContact O-N 3.02Å
426	V	98.8	Very high	96.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-41.3	177.6	177.5	0	0	0	0	110.8	L408 D422 S428 L429 F458 I461 F463	L408-V426 HydrophobicContact CB-CG2 4.17Å; L408-V426 HydrophobicContact CD1-CG2 3.95Å; L408-V426 HydrophobicContact CD2-CG2 3.85Å; L408-V426 HydrophobicContact CG-CG2 4.22Å; D422-V426 WeakPolarHBondContact O-CG2 3.35Å; D422-V426 PolarHBondContact O-N 3.4Å; V426-S428 VanDerWaalsContact C-N 3.31Å; V426-S428 PolarHBondContact O-N 3.23Å; V426-L429 WeakPolarHBondContact O-CB 3.49Å; V426-L429 PolarHBondContact O-N 2.04Å; V426-F458 HydrophobicContact CG1-CD2 3.99Å; V426-F458 HydrophobicContact CG1-CE2 3.86Å; V426-I461 HydrophobicContact CG1-CD1 4.09Å; V426-I461 HydrophobicContact CG1-CG1 4.14Å; V426-I461 HydrophobicContact CG2-CD1 4.24Å; V426-F463 HydrophobicContact CB-CB 4.14Å; V426-F463 HydrophobicContact CG1-CB 4.14Å; V426-F463 HydrophobicContact CG2-CB 4.1Å; V426-F463 HydrophobicContact CG2-CD2 4.36Å
427	D	98.4	Very high	96.8	Very high	58 Å²	58	56.3 Å²	56.3	31%	0.31	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-38.5	174.1	-80.2	3.3	0	0	0	112.4	E423 F425 L429 N430 K456 F458	E423-D427 WeakPolarHBondContact O-CB 3.49Å; E423-D427 PolarHBondContact O-N 2.84Å; F425-D427 VanDerWaalsContact C-N 3.31Å; F425-D427 PolarHBondContact O-N 2.65Å; D427-L429 PolarHBondContact O-N 3.42Å; D427-N430 PolarHBondContact O-N 3.02Å; D427-K456 VanDerWaalsContact OD1-CE 3.29Å; D427-K456 WeakPolarHBondContact OD1-CE 3.38Å; D427-K456 IonicContact OD1-NZ 3.46Å; D427-K456 PolarHBondContact OD1-NZ 3.39Å; D427-K456 IonicContact OD2-NZ 2.87Å; D427-K456 PolarHBondContact OD2-NZ 3.17Å; D427-F458 WeakPolarHBondContact OD1-CZ 3.29Å
428	S	98.4	Very high	96.8	Very high	52 Å²	52	59.1 Å²	59.1	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-68.9	-13.6	178.6	78.4	0	0	0	0	114.2	Q227 W424 F425 V426 N430	Q227-S428 PolarHBondContact NE2-OG 2.76Å; W424-S428 VanDerWaalsContact O-CB 3.31Å; W424-S428 WeakPolarHBondContact O-CB 3.05Å; W424-S428 PolarHBondContact O-N 2.98Å; F425-S428 PolarHBondContact O-N 2.78Å; F425-S428 VanDerWaalsContact O-N 3.09Å; F425-S428 PolarHBondContact O-OG 2.8Å; V426-S428 VanDerWaalsContact C-N 3.31Å; V426-S428 PolarHBondContact O-N 3.23Å; S428-N430 PolarHBondContact O-N 3.46Å
429	L	98.3	Very high	96.8	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.031	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.7	169.5	-59.9	169.4	0	0	0	112.3	Y395 L396 L399 F425 V426 D427 Q431 I461	Y395-L429 HydrophobicContact CG-CD1 4.45Å; L396-L429 HydrophobicContact CD2-CB 4.39Å; L396-L429 HydrophobicContact CD2-CD2 4.09Å; L396-L429 HydrophobicContact CG-CD2 3.98Å; L399-L429 HydrophobicContact CD1-CD1 4.12Å; F425-L429 HydrophobicContact CE1-CD1 4.12Å; F425-L429 HydrophobicContact CE1-CG 4.48Å; F425-L429 HydrophobicContact CZ-CD2 4.12Å; F425-L429 HydrophobicContact CZ-CG 4.5Å; F425-L429 PolarHBondContact O-N 3.02Å; V426-L429 WeakPolarHBondContact O-CB 3.49Å; V426-L429 PolarHBondContact O-N 2.04Å; D427-L429 PolarHBondContact O-N 3.42Å; L429-Q431 HydrophobicContact CB-CG 4.09Å; L429-Q431 PolarHBondContact O-N 3.44Å; L429-Q431 VanDerWaalsContact O-N 3.15Å; L429-Q431 PolarHBondContact O-NE2 3.02Å; L429-I461 HydrophobicContact CD1-CD1 3.62Å
430	N	96.6	Very high	96.8	Very high	145 Å²	145	60.4 Å²	60.4	78%	0.775	29%	0.293	S	S	*	.			trans	49.4	41.9	174.2	-167.7	48.7	0	0	0	113.8	D427 S428	D427-N430 PolarHBondContact O-N 3.02Å; S428-N430 PolarHBondContact O-N 3.46Å
431	Q	95.9	Very high	96.7	Very high	46 Å²	46	61.2 Å²	61.2	22%	0.215	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-76.7	164.9	177.5	-61.8	-56.4	-70	0	0	111.4	L399 L429 M433 F458 I461	L399-Q431 HydrophobicContact CD1-CG 3.86Å; L429-Q431 HydrophobicContact CB-CG 4.09Å; L429-Q431 PolarHBondContact O-N 3.44Å; L429-Q431 VanDerWaalsContact O-N 3.15Å; L429-Q431 PolarHBondContact O-NE2 3.02Å; Q431-M433 PolarHBondContact O-N 2.94Å; Q431-F458 HydrophobicContact CB-CB 3.93Å; Q431-F458 HydrophobicContact CB-CD1 4.15Å; Q431-F458 HydrophobicContact CB-CG 4.3Å; Q431-F458 WeakPolarHBondContact O-CD1 3.42Å; Q431-I461 HydrophobicContact CB-CG2 4.44Å; Q431-I461 HydrophobicContact CG-CG2 4.12Å
432	K	92.3	Very high	96.7	Very high	155 Å²	155	61 Å²	61	67%	0.674	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-67.4	116.1	174.3	-177.8	-172.6	172.1	-163.9	0	109.6	F458 S459	K432-F458 CarbonylContact O-C 3.59Å; K432-F458 VanDerWaalsContact O-CA 3.32Å; K432-F458 WeakPolarHBondContact O-CA 3.25Å; K432-F458 WeakPolarHBondContact O-CB 3.3Å; K432-S459 PolarHBondContact O-N 3.25Å
433	M	92.5	Very high	96.7	Very high	93 Å²	93	67.5 Å²	67.5	46%	0.458	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.3	173.6	-169.6	179.6	-61.2	0	0	110	Q431 F458	Q431-M433 PolarHBondContact O-N 2.94Å; M433-F458 HydrophobicContact CB-CD1 3.92Å; M433-F458 HydrophobicContact CB-CE1 4.05Å; M433-F458 HydrophobicContact CE-CE1 4.11Å; M433-F458 HydrophobicContact CE-CZ 4.32Å; M433-F458 HydrophobicContact CG-CD1 4.44Å; M433-F458 HydrophobicContact CG-CE1 4.43Å
434	E	88.6	Confident	96.6	Very high	112 Å²	112	70.3 Å²	70.3	52%	0.523	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-36.4	176.6	-69	-173.6	168.1	0	0	111.2	E457 S459	E434-E457 PolarHBondContact N-O 2.87Å; E434-S459 VanDerWaalsContact CD-CA 3.43Å; E434-S459 VanDerWaalsContact OE1-CA 3.31Å; E434-S459 WeakPolarHBondContact OE1-CA 3.33Å; E434-S459 WeakPolarHBondContact OE1-CB 3.42Å; E434-S459 PolarHBondContact OE1-OG 3.15Å
435	V	90.4	Very high	96.4	Very high	52 Å²	52	68 Å²	68	32%	0.315	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.6	177.5	-164.9	0	0	0	0	110.7	R438 E457	V435-R438 HydrophobicContact CG1-CG 4.46Å; V435-E457 HydrophobicContact CB-CB 3.88Å; V435-E457 HydrophobicContact CB-CG 4.29Å; V435-E457 WeakPolarHBondContact CB-OE2 3.35Å; V435-E457 HydrophobicContact CG2-CB 3.94Å; V435-E457 HydrophobicContact CG2-CG 4.44Å; V435-E457 WeakPolarHBondContact CG2-OE2 3.46Å; V435-E457 PolarHBondContact N-O 2.03Å; V435-E457 PolarHBondContact O-N 3.44Å
436	Q	95.1	Very high	96.3	Very high	162 Å²	162	76.7 Å²	76.7	76%	0.757	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	146.6	172.8	-174	176.7	12.6	0	0	110.5	R438	Q436-R438 PolarHBondContact O-N 3.46Å; Q436-R438 VanDerWaalsContact O-N 3.12Å
437	R	98.1	Very high	96.2	Very high	90 Å²	90	80.8 Å²	80.8	34%	0.34	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49	118.5	179.4	-164.5	-175.3	-156.6	-91.6	6.3	111.3	E423 F454 V455 K456	E423-R437 IonicContact OE1-CZ 3.27Å; E423-R437 IonicContact OE1-NE 2.68Å; E423-R437 PolarHBondContact OE1-NE 2.96Å; E423-R437 IonicContact OE1-NH2 3.42Å; E423-R437 PolarHBondContact OE1-NH2 2.94Å; E423-R437 IonicContact OE2-CZ 2.96Å; E423-R437 IonicContact OE2-NE 3.7Å; E423-R437 IonicContact OE2-NH2 3.86Å; E423-R437 PolarHBondContact OE2-NH2 2.86Å; R437-F454 HydrophobicContact CG-CB 4.49Å; R437-V455 CarbonylContact C-O 3.55Å; R437-V455 VanDerWaalsContact CA-O 3.29Å; R437-V455 WeakPolarHBondContact CA-O 3.39Å; R437-K456 HydrophobicContact CB-CB 4.4Å; R437-K456 HydrophobicContact CB-CG 4.41Å; R437-K456 HydrophobicContact CG-CB 4.36Å
438	R	98.3	Very high	96.1	Very high	67 Å²	67	79.3 Å²	79.3	25%	0.253	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.4	-173.8	62.6	-179.5	-178.6	83.9	-1.3	110.7	V435 Q436 F454 V455 E457 Y494	V435-R438 HydrophobicContact CG1-CG 4.46Å; Q436-R438 PolarHBondContact O-N 3.46Å; Q436-R438 VanDerWaalsContact O-N 3.12Å; R438-F454 CarbonylContact O-C 3.51Å; R438-F454 VanDerWaalsContact O-CA 3.31Å; R438-F454 WeakPolarHBondContact O-CA 3.46Å; R438-V455 HydrophobicContact CG-CG1 3.65Å; R438-V455 PolarHBondContact N-O 3.04Å; R438-V455 PolarHBondContact O-N 3.21Å; R438-E457 IonicContact CZ-OE2 3.74Å; R438-E457 VanDerWaalsContact CZ-OE2 3.27Å; R438-E457 IonicContact NE-OE2 3.81Å; R438-E457 PolarHBondContact NE-OE2 3.19Å; R438-E457 IonicContact NH2-OE1 3.52Å; R438-E457 PolarHBondContact NH2-OE1 2.85Å; R438-E457 IonicContact NH2-OE2 3.35Å; R438-E457 PolarHBondContact NH2-OE2 2.95Å; R438-Y494 PolarHBondContact NH1-O 2.89Å; R438-Y494 PolarHBondContact NH2-O 3.1Å
439	P	98.6	Very high	96.1	Very high	58 Å²	58	82.8 Å²	82.8	38%	0.377	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	152.6	167.4	29.6	-34.3	0	0	0	110.8	I451 G453 F454	P439-I451 HydrophobicContact CB-CD1 4.13Å; P439-I451 HydrophobicContact CB-CG1 4.14Å; P439-I451 HydrophobicContact CB-CG2 3.94Å; P439-G453 VanDerWaalsContact CA-O 3.29Å; P439-G453 WeakPolarHBondContact CA-O 3.32Å; P439-F454 HydrophobicContact CB-CD1 4.38Å; P439-F454 HydrophobicContact CB-CE1 4.29Å
440	W	98.7	Very high	96.1	Very high	1 Å²	1	87.2 Å²	87.2	0%	0.004	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.6	167.7	73.5	-82.7	0	0	0	110.3	V442 A452 G453 V455 L464 T465 I466 A480 M484 Y494	W440-V442 HydrophobicContact CE3-CG2 4.05Å; W440-V442 HydrophobicContact CH2-CG2 3.92Å; W440-V442 HydrophobicContact CZ3-CG2 3.4Å; W440-A452 HydrophobicContact CD2-CB 3.85Å; W440-A452 HydrophobicContact CE3-CB 3.91Å; W440-A452 HydrophobicContact CH2-CB 3.55Å; W440-A452 HydrophobicContact CZ2-CB 3.44Å; W440-A452 VanDerWaalsContact CZ2-CB 3.44Å; W440-A452 HydrophobicContact CZ3-CB 3.79Å; W440-A452 PolarHBondContact O-N 3.31Å; W440-G453 PolarHBondContact N-O 3.28Å; W440-V455 HydrophobicContact CB-CG1 4.19Å; W440-L464 HydrophobicContact CD2-CD1 4.11Å; W440-L464 HydrophobicContact CG-CD1 4.19Å; W440-L464 HydrophobicContact CZ2-CD2 3.73Å; W440-T465 PolarHBondContact NE1-O 2.8Å; W440-I466 HydrophobicContact CZ2-CG1 4.11Å; W440-A480 HydrophobicContact CH2-CB 3.97Å; W440-A480 WeakPolarHBondContact CH2-O 3.02Å; W440-M484 HydrophobicContact CH2-CB 4.02Å; W440-M484 HydrophobicContact CZ3-CB 4.27Å; W440-Y494 WeakPolarHBondContact CB-OXT 3.43Å
441	L	98.7	Very high	96.2	Very high	61 Å²	61	83.7 Å²	83.7	32%	0.319	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.1	-163.6	-56.4	-177.2	0	0	0	113.1	E449 Q450 I451 R487	L441-E449 HydrophobicContact CD1-CB 4.44Å; L441-Q450 WeakPolarHBondContact CA-O 3.47Å; L441-I451 HydrophobicContact CD2-CB 4.48Å; L441-I451 HydrophobicContact CD2-CG1 3.85Å; L441-R487 PolarHBondContact O-NH1 3.3Å; L441-R487 PolarHBondContact O-NH2 3.44Å
442	V	98.7	Very high	96.4	Very high	1 Å²	1	81.8 Å²	81.8	1%	0.006	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.3	172.5	173.8	0	0	0	0	108.8	W440 Y444 Q450 A452 L479 A480 T483	W440-V442 HydrophobicContact CE3-CG2 4.05Å; W440-V442 HydrophobicContact CH2-CG2 3.92Å; W440-V442 HydrophobicContact CZ3-CG2 3.4Å; V442-Y444 HydrophobicContact CB-CD2 4.44Å; V442-Y444 HydrophobicContact CB-CE2 3.86Å; V442-Y444 HydrophobicContact CG1-CD2 4.1Å; V442-Y444 HydrophobicContact CG1-CE2 3.63Å; V442-Q450 PolarHBondContact N-O 2.91Å; V442-Q450 PolarHBondContact O-N 3.4Å; V442-A452 HydrophobicContact CB-CB 3.98Å; V442-A452 HydrophobicContact CG2-CB 3.44Å; V442-A452 VanDerWaalsContact CG2-CB 3.44Å; V442-L479 HydrophobicContact CG1-CD2 4.07Å; V442-L479 HydrophobicContact CG1-CG 3.89Å; V442-A480 HydrophobicContact CG2-CB 4.24Å; V442-T483 HydrophobicContact CG2-CG2 4.04Å
443	K	98.2	Very high	96.7	Very high	139 Å²	139	74.4 Å²	74.4	60%	0.604	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.6	177.8	-172	-178.1	176.4	-175.2	0	111.2	G445 G448 E449	K443-G445 VanDerWaalsContact CE-O 3.28Å; K443-G445 WeakPolarHBondContact CE-O 3.47Å; K443-G445 PolarHBondContact O-N 3.28Å; K443-G448 CarbonylContact C-O 3.32Å; K443-G448 WeakPolarHBondContact CA-O 3.27Å; K443-E449 HydrophobicContact CB-CG 4.2Å; K443-E449 HydrophobicContact CG-CG 4.47Å
444	Y	96.7	Very high	97	Very high	81 Å²	81	73.4 Å²	73.4	32%	0.318	38%	0.379	S	S	.	.			trans	-100.1	68.7	179.3	-75.5	-93.3	0	0	0	111.1	V442 D446 S447 G448 Q450 L479	V442-Y444 HydrophobicContact CB-CD2 4.44Å; V442-Y444 HydrophobicContact CB-CE2 3.86Å; V442-Y444 HydrophobicContact CG1-CD2 4.1Å; V442-Y444 HydrophobicContact CG1-CE2 3.63Å; Y444-D446 PolarHBondContact O-N 3.33Å; Y444-S447 WeakPolarHBondContact O-CB 3.48Å; Y444-S447 PolarHBondContact O-N 3.02Å; Y444-G448 PolarHBondContact N-O 3.32Å; Y444-Q450 HydrophobicContact CD2-CB 4Å; Y444-Q450 HydrophobicContact CD2-CG 4.09Å; Y444-Q450 HydrophobicContact CE2-CB 4.28Å; Y444-L479 HydrophobicContact CD1-CD2 3.85Å; Y444-L479 HydrophobicContact CE1-CB 4.47Å; Y444-L479 HydrophobicContact CE1-CD2 3.87Å; Y444-L479 HydrophobicContact CG-CD2 4.37Å
445	G	94.8	Very high	97.5	Very high	49 Å²	49	68.1 Å²	68.1	51%	0.505	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	55.6	-123.6	179.7	0	0	0	0	0	112.4	K443 S447	K443-G445 VanDerWaalsContact CE-O 3.28Å; K443-G445 WeakPolarHBondContact CE-O 3.47Å; K443-G445 PolarHBondContact O-N 3.28Å; G445-S447 VanDerWaalsContact C-N 3.32Å
446	D	95.8	Very high	97.8	Very high	182 Å²	182	66.8 Å²	66.8	97%	0.973	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-76.4	-14.1	178.8	-58.8	-40.3	0	0	0	113.7	Y444 G448	Y444-D446 PolarHBondContact O-N 3.33Å; D446-G448 PolarHBondContact O-N 3.33Å
447	S	96.4	Very high	97.9	Very high	86 Å²	86	60.3 Å²	60.3	60%	0.601	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-76.6	6.7	174.1	-55	0	0	0	0	113.9	Y444 G445 Q450	Y444-S447 WeakPolarHBondContact O-CB 3.48Å; Y444-S447 PolarHBondContact O-N 3.02Å; G445-S447 VanDerWaalsContact C-N 3.32Å; S447-Q450 PolarHBondContact O-NE2 3.26Å
448	G	97.6	Very high	97.8	Very high	28 Å²	28	56.8 Å²	56.8	29%	0.289	30%	0.301	S	S	.	.			trans	70.8	-163.8	175.2	0	0	0	0	0	113.8	K443 Y444 D446	K443-G448 CarbonylContact C-O 3.32Å; K443-G448 WeakPolarHBondContact CA-O 3.27Å; Y444-G448 PolarHBondContact N-O 3.32Å; D446-G448 PolarHBondContact O-N 3.33Å
449	E	98.2	Very high	97.5	Very high	124 Å²	124	54.2 Å²	54.2	58%	0.579	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.1	173.4	-64.9	-167.9	130.7	0	0	111.1	L441 K443	L441-E449 HydrophobicContact CD1-CB 4.44Å; K443-E449 HydrophobicContact CB-CG 4.2Å; K443-E449 HydrophobicContact CG-CG 4.47Å
450	Q	98.6	Very high	97.5	Very high	99 Å²	99	54.7 Å²	54.7	46%	0.463	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.7	178.3	-62.8	-62.8	-30.8	0	0	109.4	L441 V442 Y444 S447 A452	L441-Q450 WeakPolarHBondContact CA-O 3.47Å; V442-Q450 PolarHBondContact N-O 2.91Å; V442-Q450 PolarHBondContact O-N 3.4Å; Y444-Q450 HydrophobicContact CD2-CB 4Å; Y444-Q450 HydrophobicContact CD2-CG 4.09Å; Y444-Q450 HydrophobicContact CE2-CB 4.28Å; S447-Q450 PolarHBondContact O-NE2 3.26Å; Q450-A452 PolarHBondContact O-N 2.8Å; Q450-A452 VanDerWaalsContact O-N 3.07Å
451	I	98.8	Very high	97.4	Very high	71 Å²	71	54.8 Å²	54.8	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	111.7	172	-62	176.4	0	0	0	108.1	P439 L441 G453 K467	P439-I451 HydrophobicContact CB-CD1 4.13Å; P439-I451 HydrophobicContact CB-CG1 4.14Å; P439-I451 HydrophobicContact CB-CG2 3.94Å; L441-I451 HydrophobicContact CD2-CB 4.48Å; L441-I451 HydrophobicContact CD2-CG1 3.85Å; I451-G453 WeakPolarHBondContact CG2-O 3.45Å; I451-K467 WeakPolarHBondContact O-CE 3.38Å; I451-K467 PolarHBondContact O-NZ 3.32Å
452	A	98.8	Very high	97.4	Very high	6 Å²	6	52.1 Å²	52.1	5%	0.05	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-18	176	0	0	0	0	0	112	W440 V442 Q450 I466 K467 A480	W440-A452 HydrophobicContact CD2-CB 3.85Å; W440-A452 HydrophobicContact CE3-CB 3.91Å; W440-A452 HydrophobicContact CH2-CB 3.55Å; W440-A452 HydrophobicContact CZ2-CB 3.44Å; W440-A452 VanDerWaalsContact CZ2-CB 3.44Å; W440-A452 HydrophobicContact CZ3-CB 3.79Å; W440-A452 PolarHBondContact O-N 3.31Å; V442-A452 HydrophobicContact CB-CB 3.98Å; V442-A452 HydrophobicContact CG2-CB 3.44Å; V442-A452 VanDerWaalsContact CG2-CB 3.44Å; Q450-A452 PolarHBondContact O-N 2.8Å; Q450-A452 VanDerWaalsContact O-N 3.07Å; A452-I466 CarbonylContact O-C 3.52Å; A452-I466 WeakPolarHBondContact O-CA 3.45Å; A452-K467 WeakPolarHBondContact O-CB 3.4Å; A452-K467 PolarHBondContact O-N 3.12Å; A452-A480 HydrophobicContact CB-CB 4.41Å
453	G	98.8	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-150.6	170	0	0	0	0	0	110.9	P439 W440 I451 T465	P439-G453 VanDerWaalsContact CA-O 3.29Å; P439-G453 WeakPolarHBondContact CA-O 3.32Å; W440-G453 PolarHBondContact N-O 3.28Å; I451-G453 WeakPolarHBondContact CG2-O 3.45Å; G453-T465 WeakPolarHBondContact CA-O 3.49Å
454	F	98.9	Very high	97.5	Very high	73 Å²	73	45.5 Å²	45.5	32%	0.32	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.9	178.7	-67.2	-92.6	0	0	0	111.6	R437 R438 P439 L464 T465	R437-F454 HydrophobicContact CG-CB 4.49Å; R438-F454 CarbonylContact O-C 3.51Å; R438-F454 VanDerWaalsContact O-CA 3.31Å; R438-F454 WeakPolarHBondContact O-CA 3.46Å; P439-F454 HydrophobicContact CB-CD1 4.38Å; P439-F454 HydrophobicContact CB-CE1 4.29Å; F454-L464 CarbonylContact O-C 3.56Å; F454-L464 VanDerWaalsContact O-CA 3.32Å; F454-L464 WeakPolarHBondContact O-CA 3.28Å; F454-T465 PolarHBondContact N-OG1 3.35Å; F454-T465 PolarHBondContact O-N 2.9Å
455	V	98.7	Very high	97.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.9	176.8	66.7	0	0	0	0	110.4	R437 R438 W440 E457 A462 F463 L464 Y494	R437-V455 CarbonylContact C-O 3.55Å; R437-V455 VanDerWaalsContact CA-O 3.29Å; R437-V455 WeakPolarHBondContact CA-O 3.39Å; R438-V455 HydrophobicContact CG-CG1 3.65Å; R438-V455 PolarHBondContact N-O 3.04Å; R438-V455 PolarHBondContact O-N 3.21Å; W440-V455 HydrophobicContact CB-CG1 4.19Å; V455-E457 HydrophobicContact CG2-CG 3.71Å; V455-A462 HydrophobicContact CG2-CB 4.41Å; V455-F463 CarbonylContact C-O 3.45Å; V455-F463 WeakPolarHBondContact CA-O 3.48Å; V455-F463 WeakPolarHBondContact CG2-O 3.22Å; V455-L464 HydrophobicContact CB-CD1 4.12Å; V455-L464 HydrophobicContact CB-CG 4.33Å; V455-L464 HydrophobicContact CG2-CB 4.22Å; V455-L464 HydrophobicContact CG2-CD1 4.01Å; V455-L464 HydrophobicContact CG2-CG 4.4Å; V455-Y494 HydrophobicContact CG2-CD2 3.81Å; V455-Y494 HydrophobicContact CG2-CG 4.17Å
456	K	97.3	Very high	97.8	Very high	25 Å²	25	39.5 Å²	39.5	11%	0.109	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.1	174.5	-171	-179.6	-171.2	176	0	108	D427 R437 F458 A462 F463	D427-K456 VanDerWaalsContact OD1-CE 3.29Å; D427-K456 WeakPolarHBondContact OD1-CE 3.38Å; D427-K456 IonicContact OD1-NZ 3.46Å; D427-K456 PolarHBondContact OD1-NZ 3.39Å; D427-K456 IonicContact OD2-NZ 2.87Å; D427-K456 PolarHBondContact OD2-NZ 3.17Å; R437-K456 HydrophobicContact CB-CB 4.4Å; R437-K456 HydrophobicContact CB-CG 4.41Å; R437-K456 HydrophobicContact CG-CB 4.36Å; K456-F458 HydrophobicContact CD-CE2 3.88Å; K456-F458 HydrophobicContact CD-CZ 4.06Å; K456-F458 HydrophobicContact CG-CE2 3.85Å; K456-F458 HydrophobicContact CG-CZ 4.3Å; K456-A462 WeakPolarHBondContact O-CA 3.38Å; K456-F463 PolarHBondContact N-O 2.87Å; K456-F463 PolarHBondContact O-N 3.19Å
457	E	96.9	Very high	97.9	Very high	25 Å²	25	35.5 Å²	35.5	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.3	-167.3	-51.1	171.4	103.5	0	0	109.8	E434 V435 R438 V455 A462	E434-E457 PolarHBondContact N-O 2.87Å; V435-E457 HydrophobicContact CB-CB 3.88Å; V435-E457 HydrophobicContact CB-CG 4.29Å; V435-E457 WeakPolarHBondContact CB-OE2 3.35Å; V435-E457 HydrophobicContact CG2-CB 3.94Å; V435-E457 HydrophobicContact CG2-CG 4.44Å; V435-E457 WeakPolarHBondContact CG2-OE2 3.46Å; V435-E457 PolarHBondContact N-O 2.03Å; V435-E457 PolarHBondContact O-N 3.44Å; R438-E457 IonicContact CZ-OE2 3.74Å; R438-E457 VanDerWaalsContact CZ-OE2 3.27Å; R438-E457 IonicContact NE-OE2 3.81Å; R438-E457 PolarHBondContact NE-OE2 3.19Å; R438-E457 IonicContact NH2-OE1 3.52Å; R438-E457 PolarHBondContact NH2-OE1 2.85Å; R438-E457 IonicContact NH2-OE2 3.35Å; R438-E457 PolarHBondContact NH2-OE2 2.95Å; V455-E457 HydrophobicContact CG2-CG 3.71Å; E457-A462 HydrophobicContact CG-CB 4.32Å
458	F	96.7	Very high	98	Very high	16 Å²	16	32.7 Å²	32.7	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	165.8	171.3	-57.3	-99.7	0	0	0	108.7	V426 D427 Q431 K432 M433 K456 H460 I461	V426-F458 HydrophobicContact CG1-CD2 3.99Å; V426-F458 HydrophobicContact CG1-CE2 3.86Å; D427-F458 WeakPolarHBondContact OD1-CZ 3.29Å; Q431-F458 HydrophobicContact CB-CB 3.93Å; Q431-F458 HydrophobicContact CB-CD1 4.15Å; Q431-F458 HydrophobicContact CB-CG 4.3Å; Q431-F458 WeakPolarHBondContact O-CD1 3.42Å; K432-F458 CarbonylContact O-C 3.59Å; K432-F458 VanDerWaalsContact O-CA 3.32Å; K432-F458 WeakPolarHBondContact O-CA 3.25Å; K432-F458 WeakPolarHBondContact O-CB 3.3Å; M433-F458 HydrophobicContact CB-CD1 3.92Å; M433-F458 HydrophobicContact CB-CE1 4.05Å; M433-F458 HydrophobicContact CE-CE1 4.11Å; M433-F458 HydrophobicContact CE-CZ 4.32Å; M433-F458 HydrophobicContact CG-CD1 4.44Å; M433-F458 HydrophobicContact CG-CE1 4.43Å; K456-F458 HydrophobicContact CD-CE2 3.88Å; K456-F458 HydrophobicContact CD-CZ 4.06Å; K456-F458 HydrophobicContact CG-CE2 3.85Å; K456-F458 HydrophobicContact CG-CZ 4.3Å; F458-H460 PolarHBondContact O-N 3.49Å; F458-I461 CarbonylContact C-O 3.45Å; F458-I461 WeakPolarHBondContact CA-O 3.47Å; F458-I461 HydrophobicContact CB-CG2 3.85Å; F458-I461 WeakPolarHBondContact CB-O 3.48Å; F458-I461 PolarHBondContact N-O 3.29Å; F458-I461 PolarHBondContact O-N 3.01Å; F458-I461 VanDerWaalsContact O-N 3.12Å
459	S	92.6	Very high	98.1	Very high	14 Å²	14	31.3 Å²	31.3	10%	0.098	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	118.1	176.7	-148.5	0	0	0	0	110.6	K432 E434 I461	K432-S459 PolarHBondContact O-N 3.25Å; E434-S459 VanDerWaalsContact CD-CA 3.43Å; E434-S459 VanDerWaalsContact OE1-CA 3.31Å; E434-S459 WeakPolarHBondContact OE1-CA 3.33Å; E434-S459 WeakPolarHBondContact OE1-CB 3.42Å; E434-S459 PolarHBondContact OE1-OG 3.15Å; S459-I461 PolarHBondContact O-N 3.38Å
460	H	96.7	Very high	98.1	Very high	67 Å²	67	25.4 Å²	25.4	31%	0.31	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	-0	-179.2	-58.5	80.5	0	0	0	117.2	L399 Q402 I406 F458	L399-H460 HydrophobicContact CD2-CB 3.89Å; Q402-H460 PolarHBondContact O-NE2 3.49Å; Q402-H460 VanDerWaalsContact O-NE2 3.16Å; Q402-H460 PolarHBondContact OE1-CE1 2.58Å; Q402-H460 VanDerWaalsContact OE1-CE1 3.28Å; Q402-H460 PolarHBondContact OE1-ND1 3.19Å; I406-H460 WeakPolarHBondContact CB-O 3.3Å; I406-H460 PolarHBondContact N-O 3.24Å; F458-H460 PolarHBondContact O-N 3.49Å
461	I	98.6	Very high	98.1	Very high	3 Å²	3	21 Å²	21	2%	0.015	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.1	175.9	-174	166.8	0	0	0	113.2	Y395 L399 I406 L408 V426 L429 Q431 F458 S459	Y395-I461 HydrophobicContact CD1-CD1 4.26Å; L399-I461 HydrophobicContact CD1-CD1 4.46Å; L399-I461 HydrophobicContact CD1-CG2 4.28Å; L399-I461 HydrophobicContact CD2-CB 4.04Å; L399-I461 HydrophobicContact CD2-CG2 4.02Å; I406-I461 HydrophobicContact CB-CB 4.02Å; I406-I461 HydrophobicContact CB-CD1 4.29Å; I406-I461 HydrophobicContact CB-CG1 3.94Å; I406-I461 HydrophobicContact CG2-CB 4.41Å; I406-I461 HydrophobicContact CG2-CD1 3.75Å; I406-I461 HydrophobicContact CG2-CG1 3.79Å; I406-I461 WeakPolarHBondContact O-CA 3.01Å; L408-I461 HydrophobicContact CD1-CD1 3.93Å; L408-I461 HydrophobicContact CD1-CG1 4.41Å; V426-I461 HydrophobicContact CG1-CD1 4.09Å; V426-I461 HydrophobicContact CG1-CG1 4.14Å; V426-I461 HydrophobicContact CG2-CD1 4.24Å; L429-I461 HydrophobicContact CD1-CD1 3.62Å; Q431-I461 HydrophobicContact CB-CG2 4.44Å; Q431-I461 HydrophobicContact CG-CG2 4.12Å; F458-I461 CarbonylContact C-O 3.45Å; F458-I461 WeakPolarHBondContact CA-O 3.47Å; F458-I461 HydrophobicContact CB-CG2 3.85Å; F458-I461 WeakPolarHBondContact CB-O 3.48Å; F458-I461 PolarHBondContact N-O 3.29Å; F458-I461 PolarHBondContact O-N 3.01Å; F458-I461 VanDerWaalsContact O-N 3.12Å; S459-I461 PolarHBondContact O-N 3.38Å
462	A	98.8	Very high	98.1	Very high	6 Å²	6	19.6 Å²	19.6	5%	0.05	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.4	171.6	0	0	0	0	0	111.3	I406 L407 L408 V455 K456 E457 Y494	I406-A462 PolarHBondContact O-N 3.09Å; L407-A462 WeakPolarHBondContact CA-O 3.07Å; L407-A462 HydrophobicContact CD1-CB 4.08Å; L408-A462 PolarHBondContact N-O 2.88Å; V455-A462 HydrophobicContact CG2-CB 4.41Å; K456-A462 WeakPolarHBondContact O-CA 3.38Å; E457-A462 HydrophobicContact CG-CB 4.32Å; A462-Y494 HydrophobicContact CB-CD2 4.22Å; A462-Y494 HydrophobicContact CB-CE2 3.61Å
463	F	98.9	Very high	98.1	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.9	162.6	172.9	-98.3	0	0	0	109.1	L408 N410 F419 D422 E423 V426 V455 K456 T465	L408-F463 HydrophobicContact CB-CD2 4.37Å; L408-F463 CarbonylContact O-C 3.59Å; L408-F463 WeakPolarHBondContact O-CA 3.02Å; N410-F463 WeakPolarHBondContact OD1-CE2 3.49Å; F419-F463 HydrophobicContact CB-CZ 4.2Å; F419-F463 HydrophobicContact CD2-CZ 4.4Å; F419-F463 VanDerWaalsContact O-CZ 3.27Å; F419-F463 WeakPolarHBondContact O-CZ 3.46Å; D422-F463 HydrophobicContact CB-CD2 4.38Å; D422-F463 HydrophobicContact CB-CE2 3.89Å; E423-F463 HydrophobicContact CB-CD1 3.89Å; E423-F463 HydrophobicContact CB-CD2 4.37Å; E423-F463 HydrophobicContact CB-CE1 3.49Å; E423-F463 VanDerWaalsContact CB-CE1 3.49Å; E423-F463 HydrophobicContact CB-CE2 4.01Å; E423-F463 HydrophobicContact CB-CG 4.32Å; E423-F463 HydrophobicContact CB-CZ 3.56Å; E423-F463 HydrophobicContact CG-CD1 3.66Å; E423-F463 HydrophobicContact CG-CE1 3.61Å; E423-F463 HydrophobicContact CG-CG 4.33Å; E423-F463 HydrophobicContact CG-CZ 4.22Å; E423-F463 WeakPolarHBondContact OE2-CE1 3.12Å; V426-F463 HydrophobicContact CB-CB 4.14Å; V426-F463 HydrophobicContact CG1-CB 4.14Å; V426-F463 HydrophobicContact CG2-CB 4.1Å; V426-F463 HydrophobicContact CG2-CD2 4.36Å; V455-F463 CarbonylContact C-O 3.45Å; V455-F463 WeakPolarHBondContact CA-O 3.48Å; V455-F463 WeakPolarHBondContact CG2-O 3.22Å; K456-F463 PolarHBondContact N-O 2.87Å; K456-F463 PolarHBondContact O-N 3.19Å; F463-T465 HydrophobicContact CE1-CG2 3.62Å; F463-T465 HydrophobicContact CZ-CG2 3.82Å
464	L	98.8	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.2	-174.7	-174.5	147.3	0	0	0	112	L407 L408 Y409 N410 W440 F454 V455 I466 M484 Y494	L407-L464 HydrophobicContact CD1-CB 3.95Å; L408-L464 PolarHBondContact O-N 3.5Å; Y409-L464 CarbonylContact C-O 3.58Å; Y409-L464 WeakPolarHBondContact CA-O 3.3Å; N410-L464 PolarHBondContact N-O 2.9Å; W440-L464 HydrophobicContact CD2-CD1 4.11Å; W440-L464 HydrophobicContact CG-CD1 4.19Å; W440-L464 HydrophobicContact CZ2-CD2 3.73Å; F454-L464 CarbonylContact O-C 3.56Å; F454-L464 VanDerWaalsContact O-CA 3.32Å; F454-L464 WeakPolarHBondContact O-CA 3.28Å; V455-L464 HydrophobicContact CB-CD1 4.12Å; V455-L464 HydrophobicContact CB-CG 4.33Å; V455-L464 HydrophobicContact CG2-CB 4.22Å; V455-L464 HydrophobicContact CG2-CD1 4.01Å; V455-L464 HydrophobicContact CG2-CG 4.4Å; L464-I466 HydrophobicContact CD2-CD1 3.7Å; L464-I466 HydrophobicContact CD2-CG1 3.89Å; L464-M484 HydrophobicContact CD1-CG 4.26Å; L464-M484 HydrophobicContact CD2-CG 4.19Å; L464-M484 HydrophobicContact CD2-SD 3.84Å; L464-Y494 HydrophobicContact CD1-CD1 3.67Å; L464-Y494 HydrophobicContact CD1-CD2 4.42Å; L464-Y494 HydrophobicContact CD1-CE1 4.42Å; L464-Y494 HydrophobicContact CD1-CG 3.67Å
465	T	98.9	Very high	98.1	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	146.7	169.3	76.4	0	0	0	0	111.5	N410 F419 W440 G453 F454 F463	N410-T465 CarbonylContact O-C 3Å; N410-T465 VanDerWaalsContact O-CA 3.25Å; N410-T465 WeakPolarHBondContact O-CA 3.44Å; F419-T465 HydrophobicContact CB-CG2 4.16Å; F419-T465 HydrophobicContact CD2-CG2 3.78Å; F419-T465 HydrophobicContact CG-CG2 4.17Å; W440-T465 PolarHBondContact NE1-O 2.8Å; G453-T465 WeakPolarHBondContact CA-O 3.49Å; F454-T465 PolarHBondContact N-OG1 3.35Å; F454-T465 PolarHBondContact O-N 2.9Å; F463-T465 HydrophobicContact CE1-CG2 3.62Å; F463-T465 HydrophobicContact CZ-CG2 3.82Å
466	I	98.9	Very high	98.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109.8	168.8	-55.2	85.7	0	0	0	108.3	Y409 N410 G411 D412 W440 A452 L464 G468 A469 V473 K477 A480 M484	Y409-I466 HydrophobicContact CD2-CD1 3.72Å; Y409-I466 HydrophobicContact CG-CD1 4.22Å; N410-I466 PolarHBondContact O-N 2.97Å; G411-I466 WeakPolarHBondContact CA-O 3.3Å; D412-I466 PolarHBondContact N-O 3.28Å; D412-I466 VanDerWaalsContact N-O 3.15Å; W440-I466 HydrophobicContact CZ2-CG1 4.11Å; A452-I466 CarbonylContact O-C 3.52Å; A452-I466 WeakPolarHBondContact O-CA 3.45Å; L464-I466 HydrophobicContact CD2-CD1 3.7Å; L464-I466 HydrophobicContact CD2-CG1 3.89Å; I466-G468 PolarHBondContact O-N 2.98Å; I466-A469 HydrophobicContact CB-CB 4Å; I466-A469 HydrophobicContact CG2-CB 3.79Å; I466-A469 PolarHBondContact O-N 3.24Å; I466-V473 HydrophobicContact CB-CG1 4.02Å; I466-V473 HydrophobicContact CD1-CG1 3.7Å; I466-V473 HydrophobicContact CD1-CG2 4.11Å; I466-V473 HydrophobicContact CG1-CG1 3.66Å; I466-V473 HydrophobicContact CG2-CG1 4.16Å; I466-K477 HydrophobicContact CG2-CB 3.86Å; I466-K477 HydrophobicContact CG2-CG 3.91Å; I466-A480 HydrophobicContact CG2-CB 4.29Å; I466-M484 HydrophobicContact CD1-SD 4.22Å
467	K	98.9	Very high	98.2	Very high	98 Å²	98	23.1 Å²	23.1	43%	0.426	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	115.6	-169.1	-177	-174.1	51.8	48.1	0	112.5	D412 I451 A452	D412-K467 WeakPolarHBondContact OD1-CA 3.24Å; D412-K467 WeakPolarHBondContact OD2-CA 3.45Å; I451-K467 WeakPolarHBondContact O-CE 3.38Å; I451-K467 PolarHBondContact O-NZ 3.32Å; A452-K467 WeakPolarHBondContact O-CB 3.4Å; A452-K467 PolarHBondContact O-N 3.12Å
468	G	98.7	Very high	98.3	Very high	27 Å²	27	24 Å²	24	28%	0.278	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	22.3	-177.8	0	0	0	0	0	113.6	D412 I466 K477	D412-G468 PolarHBondContact OD1-N 2.88Å; I466-G468 PolarHBondContact O-N 2.98Å; G468-K477 WeakPolarHBondContact O-CE 3.42Å; G468-K477 PolarHBondContact O-NZ 3.32Å
469	A	98.9	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.			trans	-100.7	145.5	164.5	0	0	0	0	0	110.3	G411 D412 V413 I466 V473 D476 K477	G411-A469 CarbonylContact C-O 3.54Å; G411-A469 WeakPolarHBondContact CA-O 3.49Å; D412-A469 PolarHBondContact N-O 3.45Å; D412-A469 VanDerWaalsContact N-O 3.14Å; V413-A469 VanDerWaalsContact CG2-O 3.26Å; V413-A469 WeakPolarHBondContact CG2-O 3.46Å; V413-A469 PolarHBondContact N-O 3.34Å; I466-A469 HydrophobicContact CB-CB 4Å; I466-A469 HydrophobicContact CG2-CB 3.79Å; I466-A469 PolarHBondContact O-N 3.24Å; A469-V473 HydrophobicContact CB-CB 4.46Å; A469-V473 HydrophobicContact CB-CG1 4.39Å; A469-V473 HydrophobicContact CB-CG2 4.12Å; A469-D476 HydrophobicContact CB-CB 4.05Å; A469-K477 HydrophobicContact CB-CB 4.34Å; A469-K477 HydrophobicContact CB-CG 3.74Å
470	G	98.8	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.			trans	-87.6	-148.1	168.7	0	0	0	0	0	112.4	Y289 G411 V473 D476	Y289-G470 CarbonylContact O-C 3.48Å; Y289-G470 WeakPolarHBondContact O-CA 3.15Å; G411-G470 WeakPolarHBondContact CA-O 3.49Å; G470-V473 WeakPolarHBondContact O-CG2 3.32Å; G470-D476 WeakPolarHBondContact CA-OD2 3.49Å; G470-D476 PolarHBondContact N-OD2 3.48Å
471	H	98.8	Very high	98.8	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.023	12%	0.117	C	C	.	.	S	Bend	trans	-62.9	-57.2	-175.9	-157.1	67.2	0	0	0	111.3	E191 S192 N220 Y289 D414 V473	E191-H471 IonicContact OE1-CD2 3.57Å; S192-H471 WeakPolarHBondContact CB-NE2 3.19Å; S192-H471 PolarHBondContact OG-CE1 3.25Å; S192-H471 PolarHBondContact OG-NE2 2.64Å; N220-H471 PolarHBondContact OD1-O 3.25Å; Y289-H471 HydrophobicContact CD1-CB 3.42Å; Y289-H471 VanDerWaalsContact CD1-CB 3.42Å; Y289-H471 AromaticContact CD1-CD2 3.46Å; Y289-H471 VanDerWaalsContact CD1-CD2 3.46Å; Y289-H471 WeakPolarHBondContact CD1-CD2 3.48Å; Y289-H471 AromaticContact CD1-CG 3.35Å; Y289-H471 AromaticContact CD1-ND1 3.88Å; Y289-H471 HydrophobicContact CE1-CB 4.19Å; Y289-H471 AromaticContact CE1-CD2 3.26Å; Y289-H471 WeakPolarHBondContact CE1-CD2 3.28Å; Y289-H471 AromaticContact CE1-CE1 3.98Å; Y289-H471 AromaticContact CE1-CG 3.64Å; Y289-H471 AromaticContact CE1-NE2 3.47Å; Y289-H471 WeakPolarHBondContact CE1-NE2 3.06Å; Y289-H471 HydrophobicContact CG-CB 3.75Å; Y289-H471 AromaticContact CZ-CD2 3.92Å; Y289-H471 PolarHBondContact O-N 2.99Å; D414-H471 HydrophobicContact CB-CB 4.48Å; D414-H471 VanDerWaalsContact CG-ND1 3.31Å; D414-H471 IonicContact OD1-CG 2.78Å; D414-H471 IonicContact OD1-ND1 2.8Å; D414-H471 PolarHBondContact OD1-ND1 2.87Å; D414-H471 IonicContact OD2-CE1 2.73Å; D414-H471 IonicContact OD2-CG 3.54Å; D414-H471 IonicContact OD2-ND1 1.9Å; D414-H471 PolarHBondContact OD2-ND1 3.28Å; H471-V473 VanDerWaalsContact C-N 3.27Å; H471-V473 PolarHBondContact O-N 3.43Å
472	M	98.6	Very high	98.8	Very high	42 Å²	42	22.8 Å²	22.8	21%	0.207	12%	0.124	C	C	.	.	S	Bend	trans	-77.8	76	174.3	-63.5	170.8	-69.7	0	0	109.9	E111 E191 T346 P474 T475 D476	E111-M472 HydrophobicContact CG-CB 4.4Å; E111-M472 HydrophobicContact CG-CG 4.45Å; E191-M472 VanDerWaalsContact OE1-CA 3.26Å; E191-M472 WeakPolarHBondContact OE1-CA 3.48Å; E191-M472 WeakPolarHBondContact OE1-CG 3.17Å; E191-M472 PolarHBondContact OE1-N 3.1Å; T346-M472 HydrophobicContact CG2-CE 4.31Å; M472-P474 VanDerWaalsContact C-N 3.32Å; M472-T475 WeakPolarHBondContact O-CB 3.36Å; M472-T475 PolarHBondContact O-N 3.39Å; M472-T475 VanDerWaalsContact O-N 3.16Å; M472-D476 PolarHBondContact O-N 3.22Å; M472-D476 VanDerWaalsContact O-N 3.16Å
473	V	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-51.8	-42	-178.9	169.6	0	0	0	0	113.6	N220 Y409 G411 I466 A469 G470 H471 D476 K477 A481	N220-V473 WeakPolarHBondContact OD1-CG2 3.46Å; Y409-V473 HydrophobicContact CD2-CB 4.36Å; Y409-V473 HydrophobicContact CD2-CG1 4.25Å; Y409-V473 HydrophobicContact CD2-CG2 4.24Å; Y409-V473 HydrophobicContact CE2-CB 4.03Å; Y409-V473 HydrophobicContact CE2-CG1 4.19Å; Y409-V473 HydrophobicContact CE2-CG2 4.26Å; G411-V473 VanDerWaalsContact N-CG2 3.32Å; I466-V473 HydrophobicContact CB-CG1 4.02Å; I466-V473 HydrophobicContact CD1-CG1 3.7Å; I466-V473 HydrophobicContact CD1-CG2 4.11Å; I466-V473 HydrophobicContact CG1-CG1 3.66Å; I466-V473 HydrophobicContact CG2-CG1 4.16Å; A469-V473 HydrophobicContact CB-CB 4.46Å; A469-V473 HydrophobicContact CB-CG1 4.39Å; A469-V473 HydrophobicContact CB-CG2 4.12Å; G470-V473 WeakPolarHBondContact O-CG2 3.32Å; H471-V473 VanDerWaalsContact C-N 3.27Å; H471-V473 PolarHBondContact O-N 3.43Å; V473-D476 PolarHBondContact O-N 2.91Å; V473-K477 PolarHBondContact O-N 2.85Å; V473-A481 HydrophobicContact CG1-CB 4.19Å
474	P	98.8	Very high	98.8	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.013	13%	0.129	C	C	.	.	H	α-helix	trans	-69	-33.4	-179.1	-12.5	28.1	0	0	0	112.4	E111 H112 W131 M472 P478 A481	E111-P474 HydrophobicContact CB-CB 4Å; E111-P474 HydrophobicContact CB-CG 4.16Å; E111-P474 WeakPolarHBondContact OE2-CD 3.41Å; H112-P474 HydrophobicContact CB-CB 3.88Å; H112-P474 HydrophobicContact CB-CG 4.47Å; W131-P474 HydrophobicContact CZ2-CG 4.44Å; M472-P474 VanDerWaalsContact C-N 3.32Å; P474-P478 WeakPolarHBondContact O-CA 3.49Å; P474-P478 WeakPolarHBondContact O-CB 3.5Å; P474-P478 WeakPolarHBondContact O-CD 3.48Å; P474-A481 HydrophobicContact CB-CB 4Å; P474-A481 HydrophobicContact CG-CB 4.35Å
475	T	98.8	Very high	98.8	Very high	60 Å²	60	23.8 Å²	23.8	37%	0.368	13%	0.129	S	C	.	.	H	α-helix	trans	-64.7	-46.9	174	-50.7	0	0	0	0	111.6	T110 E111 M472	T110-T475 PolarHBondContact O-OG1 3.34Å; E111-T475 WeakPolarHBondContact CA-OG1 3.47Å; M472-T475 WeakPolarHBondContact O-CB 3.36Å; M472-T475 PolarHBondContact O-N 3.39Å; M472-T475 VanDerWaalsContact O-N 3.16Å
476	D	98.7	Very high	98.8	Very high	56 Å²	56	25.1 Å²	25.1	30%	0.299	14%	0.138	S	C	.	.	H	α-helix	trans	-80.5	-27.7	-174.2	-81.3	-24.8	0	0	0	114.4	N290 A469 G470 M472 V473	N290-D476 PolarHBondContact ND2-OD2 3.49Å; A469-D476 HydrophobicContact CB-CB 4.05Å; G470-D476 WeakPolarHBondContact CA-OD2 3.49Å; G470-D476 PolarHBondContact N-OD2 3.48Å; M472-D476 PolarHBondContact O-N 3.22Å; M472-D476 VanDerWaalsContact O-N 3.16Å; V473-D476 PolarHBondContact O-N 2.91Å
477	K	98.8	Very high	98.8	Very high	61 Å²	61	27.5 Å²	27.5	27%	0.265	15%	0.147	S	C	.	.	S	Bend	trans	-143.7	60.4	-176	-64.1	-68.6	169.1	-76.9	0	111.8	I466 G468 A469 V473 L479 A480 A481	I466-K477 HydrophobicContact CG2-CB 3.86Å; I466-K477 HydrophobicContact CG2-CG 3.91Å; G468-K477 WeakPolarHBondContact O-CE 3.42Å; G468-K477 PolarHBondContact O-NZ 3.32Å; A469-K477 HydrophobicContact CB-CB 4.34Å; A469-K477 HydrophobicContact CB-CG 3.74Å; V473-K477 PolarHBondContact O-N 2.85Å; K477-L479 PolarHBondContact O-N 3.31Å; K477-A480 HydrophobicContact CB-CB 4.03Å; K477-A480 PolarHBondContact O-N 2.91Å; K477-A481 PolarHBondContact O-N 3.26Å
478	P	98.8	Very high	98.8	Very high	44 Å²	44	22.9 Å²	22.9	29%	0.286	13%	0.127	S	C	.	.	H	α-helix	trans	-59.8	-43.7	-167.4	21.5	-34	0	0	0	114.3	Y129 P474 A480 A481 F482	Y129-P478 HydrophobicContact CD2-CB 3.56Å; Y129-P478 HydrophobicContact CD2-CG 3.8Å; Y129-P478 HydrophobicContact CE2-CB 4.42Å; Y129-P478 HydrophobicContact CE2-CG 4.2Å; Y129-P478 HydrophobicContact CG-CB 3.96Å; P474-P478 WeakPolarHBondContact O-CA 3.49Å; P474-P478 WeakPolarHBondContact O-CB 3.5Å; P474-P478 WeakPolarHBondContact O-CD 3.48Å; P478-A480 VanDerWaalsContact C-N 3.33Å; P478-A480 PolarHBondContact O-N 2.79Å; P478-A481 PolarHBondContact O-N 3.41Å; P478-F482 WeakPolarHBondContact O-CB 3.48Å; P478-F482 PolarHBondContact O-N 2.85Å
479	L	98.8	Very high	98.8	Very high	38 Å²	38	22.1 Å²	22.1	20%	0.199	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-37.8	175.5	175.1	59.4	0	0	0	112.5	Y129 V442 Y444 K477 T483	Y129-L479 HydrophobicContact CD1-CB 4Å; Y129-L479 HydrophobicContact CD1-CD1 4.03Å; Y129-L479 HydrophobicContact CE1-CB 3.76Å; Y129-L479 HydrophobicContact CE1-CD1 3.76Å; Y129-L479 HydrophobicContact CE1-CG 4.22Å; V442-L479 HydrophobicContact CG1-CD2 4.07Å; V442-L479 HydrophobicContact CG1-CG 3.89Å; Y444-L479 HydrophobicContact CD1-CD2 3.85Å; Y444-L479 HydrophobicContact CE1-CB 4.47Å; Y444-L479 HydrophobicContact CE1-CD2 3.87Å; Y444-L479 HydrophobicContact CG-CD2 4.37Å; K477-L479 PolarHBondContact O-N 3.31Å; L479-T483 WeakPolarHBondContact O-CB 3.05Å; L479-T483 PolarHBondContact O-N 3.5Å; L479-T483 PolarHBondContact O-OG1 3.44Å
480	A	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-72.1	-43.3	179	0	0	0	0	0	111.1	W440 V442 A452 I466 K477 P478 T483 M484	W440-A480 HydrophobicContact CH2-CB 3.97Å; W440-A480 WeakPolarHBondContact CH2-O 3.02Å; V442-A480 HydrophobicContact CG2-CB 4.24Å; A452-A480 HydrophobicContact CB-CB 4.41Å; I466-A480 HydrophobicContact CG2-CB 4.29Å; K477-A480 HydrophobicContact CB-CB 4.03Å; K477-A480 PolarHBondContact O-N 2.91Å; P478-A480 VanDerWaalsContact C-N 3.33Å; P478-A480 PolarHBondContact O-N 2.79Å; A480-T483 PolarHBondContact O-N 2.69Å; A480-M484 WeakPolarHBondContact O-CB 3.42Å; A480-M484 PolarHBondContact O-N 3.1Å
481	A	98.9	Very high	98.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-47.4	174	0	0	0	0	0	111.5	V473 P474 K477 P478 T483 M484 F485	V473-A481 HydrophobicContact CG1-CB 4.19Å; P474-A481 HydrophobicContact CB-CB 4Å; P474-A481 HydrophobicContact CG-CB 4.35Å; K477-A481 PolarHBondContact O-N 3.26Å; P478-A481 PolarHBondContact O-N 3.41Å; A481-T483 PolarHBondContact O-N 2.76Å; A481-M484 PolarHBondContact O-N 2.03Å; A481-F485 VanDerWaalsContact O-CB 3.23Å; A481-F485 WeakPolarHBondContact O-CB 3.3Å; A481-F485 PolarHBondContact O-N 2.95Å
482	F	98.9	Very high	98.7	Very high	36 Å²	36	35.9 Å²	35.9	16%	0.158	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-41	175.2	-179.1	-99.6	0	0	0	112.7	Y129 S130 L133 I134 P478 F485 S486	Y129-F482 WeakPolarHBondContact O-CD2 3.26Å; S130-F482 WeakPolarHBondContact O-CE2 3.18Å; L133-F482 HydrophobicContact CB-CE2 3.91Å; L133-F482 HydrophobicContact CB-CZ 4.1Å; L133-F482 HydrophobicContact CD1-CE2 3.98Å; L133-F482 HydrophobicContact CD1-CZ 4.12Å; I134-F482 HydrophobicContact CD1-CE2 4.17Å; I134-F482 HydrophobicContact CD1-CZ 4.24Å; I134-F482 HydrophobicContact CG1-CE2 4.18Å; I134-F482 HydrophobicContact CG1-CZ 4.45Å; I134-F482 HydrophobicContact CG2-CZ 4.22Å; P478-F482 WeakPolarHBondContact O-CB 3.48Å; P478-F482 PolarHBondContact O-N 2.85Å; F482-F485 PolarHBondContact O-N 3.25Å; F482-S486 VanDerWaalsContact O-CB 3.26Å; F482-S486 WeakPolarHBondContact O-CB 3.49Å; F482-S486 PolarHBondContact O-N 3.46Å
483	T	98.9	Very high	98.7	Very high	25 Å²	25	38.6 Å²	38.6	15%	0.153	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-44.1	178	-56.8	0	0	0	0	111.4	V442 L479 A480 A481 R487	V442-T483 HydrophobicContact CG2-CG2 4.04Å; L479-T483 WeakPolarHBondContact O-CB 3.05Å; L479-T483 PolarHBondContact O-N 3.5Å; L479-T483 PolarHBondContact O-OG1 3.44Å; A480-T483 PolarHBondContact O-N 2.69Å; A481-T483 PolarHBondContact O-N 2.76Å; T483-R487 WeakPolarHBondContact O-CG 3.14Å; T483-R487 PolarHBondContact O-N 2.86Å
484	M	98.9	Very high	98.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-49.7	174.1	175.1	-157.9	77.1	0	0	111.4	W131 L407 Y409 W440 L464 I466 A480 A481 S486 R487 F488 Y494	W131-M484 HydrophobicContact CZ2-CE 4.47Å; L407-M484 HydrophobicContact CD2-CE 4.28Å; L407-M484 HydrophobicContact CD2-CG 3.92Å; L407-M484 HydrophobicContact CD2-SD 4.01Å; Y409-M484 VanDerWaalsContact CB-SD 3.53Å; Y409-M484 HydrophobicContact CD1-CE 3.54Å; Y409-M484 HydrophobicContact CD1-SD 3.88Å; Y409-M484 HydrophobicContact CD2-CE 3.82Å; Y409-M484 HydrophobicContact CD2-SD 3.9Å; Y409-M484 HydrophobicContact CE1-CE 3.66Å; Y409-M484 HydrophobicContact CE2-CE 3.95Å; Y409-M484 HydrophobicContact CG-CE 3.62Å; Y409-M484 HydrophobicContact CG-SD 3.49Å; W440-M484 HydrophobicContact CH2-CB 4.02Å; W440-M484 HydrophobicContact CZ3-CB 4.27Å; L464-M484 HydrophobicContact CD1-CG 4.26Å; L464-M484 HydrophobicContact CD2-CG 4.19Å; L464-M484 HydrophobicContact CD2-SD 3.84Å; I466-M484 HydrophobicContact CD1-SD 4.22Å; A480-M484 WeakPolarHBondContact O-CB 3.42Å; A480-M484 PolarHBondContact O-N 3.1Å; A481-M484 PolarHBondContact O-N 2.03Å; M484-S486 PolarHBondContact O-N 2.74Å; M484-R487 PolarHBondContact O-N 2.86Å; M484-F488 WeakPolarHBondContact O-CB 3.36Å; M484-F488 PolarHBondContact O-N 3.42Å; M484-Y494 HydrophobicContact CG-CD1 4.42Å; M484-Y494 HydrophobicContact CG-CE1 4.37Å
485	F	98.9	Very high	98.5	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-44.3	178.3	174	-108.2	0	0	0	112.3	V93 W131 I134 A135 A481 F482 F488 L489	V93-F485 HydrophobicContact CG1-CE2 4.06Å; V93-F485 HydrophobicContact CG1-CZ 4.33Å; V93-F485 HydrophobicContact CG2-CE2 4.28Å; V93-F485 HydrophobicContact CG2-CZ 4.07Å; W131-F485 HydrophobicContact CB-CD1 3.93Å; W131-F485 HydrophobicContact CB-CE1 3.48Å; W131-F485 VanDerWaalsContact CB-CE1 3.48Å; W131-F485 HydrophobicContact CB-CE2 4.47Å; W131-F485 HydrophobicContact CB-CZ 3.75Å; W131-F485 AromaticContact CD1-CD1 3.9Å; W131-F485 HydrophobicContact CD2-CB 4.18Å; W131-F485 AromaticContact CD2-CD1 3.86Å; W131-F485 HydrophobicContact CD2-CD1 3.86Å; W131-F485 AromaticContact CD2-CD2 3.59Å; W131-F485 HydrophobicContact CD2-CD2 3.59Å; W131-F485 HydrophobicContact CD2-CE1 4.04Å; W131-F485 AromaticContact CD2-CE2 3.78Å; W131-F485 HydrophobicContact CD2-CE2 3.78Å; W131-F485 AromaticContact CD2-CG 3.61Å; W131-F485 HydrophobicContact CD2-CG 3.61Å; W131-F485 AromaticContact CD2-CZ 3.97Å; W131-F485 HydrophobicContact CD2-CZ 3.97Å; W131-F485 AromaticContact CE2-CD2 3.94Å; W131-F485 AromaticContact CE2-CG 3.74Å; W131-F485 HydrophobicContact CE3-CD1 4.42Å; W131-F485 AromaticContact CE3-CD2 3.43Å; W131-F485 HydrophobicContact CE3-CD2 3.43Å; W131-F485 VanDerWaalsContact CE3-CD2 3.43Å; W131-F485 HydrophobicContact CE3-CE1 4.35Å; W131-F485 AromaticContact CE3-CE2 3.33Å; W131-F485 HydrophobicContact CE3-CE2 3.33Å; W131-F485 AromaticContact CE3-CG 3.98Å; W131-F485 HydrophobicContact CE3-CG 3.98Å; W131-F485 AromaticContact CE3-CZ 3.8Å; W131-F485 HydrophobicContact CE3-CZ 3.8Å; W131-F485 AromaticContact CG-CD1 3.62Å; W131-F485 HydrophobicContact CG-CD1 3.62Å; W131-F485 HydrophobicContact CG-CD2 4.24Å; W131-F485 AromaticContact CG-CE1 3.69Å; W131-F485 HydrophobicContact CG-CE1 3.69Å; W131-F485 HydrophobicContact CG-CE2 4.3Å; W131-F485 AromaticContact CG-CG 3.89Å; W131-F485 HydrophobicContact CG-CG 3.89Å; W131-F485 AromaticContact CG-CZ 4Å; W131-F485 HydrophobicContact CG-CZ 4Å; W131-F485 AromaticContact CH2-CD2 3.99Å; W131-F485 HydrophobicContact CH2-CD2 3.99Å; W131-F485 HydrophobicContact CZ2-CB 4.01Å; W131-F485 HydrophobicContact CZ2-CD2 4.14Å; W131-F485 HydrophobicContact CZ2-CG 4.21Å; W131-F485 AromaticContact CZ3-CD2 3.65Å; W131-F485 HydrophobicContact CZ3-CD2 3.65Å; W131-F485 AromaticContact CZ3-CE2 3.8Å; W131-F485 HydrophobicContact CZ3-CE2 3.8Å; W131-F485 HydrophobicContact CZ3-CG 4.42Å; W131-F485 WeakPolarHBondContact O-CE1 3.41Å; I134-F485 HydrophobicContact CD1-CD1 3.99Å; I134-F485 HydrophobicContact CD1-CE1 4.03Å; I134-F485 HydrophobicContact CG1-CD1 4.29Å; I134-F485 HydrophobicContact CG1-CE1 3.88Å; A135-F485 HydrophobicContact CB-CE1 4.27Å; A135-F485 HydrophobicContact CB-CZ 3.96Å; A481-F485 VanDerWaalsContact O-CB 3.23Å; A481-F485 WeakPolarHBondContact O-CB 3.3Å; A481-F485 PolarHBondContact O-N 2.95Å; F482-F485 PolarHBondContact O-N 3.25Å; F485-F488 WeakPolarHBondContact O-CB 3.36Å; F485-F488 PolarHBondContact O-N 2.95Å; F485-L489 HydrophobicContact CD1-CD1 4.25Å; F485-L489 HydrophobicContact CD2-CG 4.4Å; F485-L489 HydrophobicContact CE1-CD1 3.59Å; F485-L489 HydrophobicContact CE1-CG 4.41Å; F485-L489 HydrophobicContact CE2-CD1 3.9Å; F485-L489 HydrophobicContact CE2-CD2 4.29Å; F485-L489 HydrophobicContact CE2-CG 4.04Å; F485-L489 HydrophobicContact CZ-CD1 3.41Å; F485-L489 VanDerWaalsContact CZ-CD1 3.41Å; F485-L489 HydrophobicContact CZ-CG 4.09Å; F485-L489 PolarHBondContact O-N 3.36Å
486	S	98.9	Very high	98.5	Very high	29 Å²	29	40.3 Å²	40.3	20%	0.203	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-45.3	175.3	-176.6	0	0	0	0	112.2	F482 M484 F488 N490	F482-S486 VanDerWaalsContact O-CB 3.26Å; F482-S486 WeakPolarHBondContact O-CB 3.49Å; F482-S486 PolarHBondContact O-N 3.46Å; M484-S486 PolarHBondContact O-N 2.74Å; S486-F488 PolarHBondContact O-N 3.01Å; S486-N490 VanDerWaalsContact O-CB 3.32Å; S486-N490 WeakPolarHBondContact O-CB 3.5Å; S486-N490 PolarHBondContact O-N 3.13Å; S486-N490 VanDerWaalsContact O-N 3.1Å; S486-N490 PolarHBondContact O-ND2 3.01Å
487	R	98.9	Very high	98.5	Very high	52 Å²	52	39.4 Å²	39.4	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-41.6	175.7	-72.8	175.5	179.3	154.3	4.7	111.7	L441 T483 M484 N490 K491 Q492 P493 Y494	L441-R487 PolarHBondContact O-NH1 3.3Å; L441-R487 PolarHBondContact O-NH2 3.44Å; T483-R487 WeakPolarHBondContact O-CG 3.14Å; T483-R487 PolarHBondContact O-N 2.86Å; M484-R487 PolarHBondContact O-N 2.86Å; R487-N490 PolarHBondContact O-N 2.84Å; R487-K491 PolarHBondContact O-N 3.31Å; R487-K491 VanDerWaalsContact O-N 3.14Å; R487-Q492 HydrophobicContact CB-CB 4.15Å; R487-Q492 HydrophobicContact CG-CB 4.17Å; R487-Q492 PolarHBondContact O-N 3.49Å; R487-P493 WeakPolarHBondContact CD-O 3.46Å; R487-Y494 HydrophobicContact CB-CD1 4.22Å; R487-Y494 HydrophobicContact CB-CE1 4.48Å; R487-Y494 PolarHBondContact NH1-OXT 2.87Å
488	F	98.9	Very high	98.5	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-56.5	-60.1	174.1	170	-104.4	0	0	0	111.7	F187 T189 L216 A217 Q405 L407 M484 F485 S486 N490 K491 Y494	F187-F488 HydrophobicContact CB-CE1 4.35Å; F187-F488 HydrophobicContact CD1-CD1 4.4Å; F187-F488 AromaticContact CD1-CE1 3.4Å; F187-F488 HydrophobicContact CD1-CE1 3.4Å; F187-F488 AromaticContact CD1-CZ 3.51Å; F187-F488 HydrophobicContact CD1-CZ 3.51Å; F187-F488 AromaticContact CE1-CE1 3.88Å; F187-F488 HydrophobicContact CE1-CE1 3.88Å; F187-F488 AromaticContact CE1-CZ 3.95Å; F187-F488 HydrophobicContact CE1-CZ 3.95Å; F187-F488 HydrophobicContact CG-CE1 4.1Å; T189-F488 HydrophobicContact CG2-CE1 4.47Å; L216-F488 WeakPolarHBondContact O-CE2 3.37Å; L216-F488 WeakPolarHBondContact O-CZ 3.44Å; A217-F488 HydrophobicContact CB-CD1 4.33Å; A217-F488 HydrophobicContact CB-CE1 3.91Å; A217-F488 HydrophobicContact CB-CE2 4.11Å; A217-F488 HydrophobicContact CB-CZ 3.79Å; Q405-F488 HydrophobicContact CB-CE2 4.49Å; Q405-F488 HydrophobicContact CG-CD2 4.11Å; Q405-F488 HydrophobicContact CG-CE2 3.95Å; Q405-F488 PolarHBondContact NE2-O 3.28Å; Q405-F488 PolarHBondContact OE1-O 2.77Å; L407-F488 HydrophobicContact CB-CD2 3.81Å; L407-F488 HydrophobicContact CB-CE2 3.92Å; L407-F488 HydrophobicContact CD2-CB 4.23Å; L407-F488 HydrophobicContact CD2-CD2 4.15Å; L407-F488 HydrophobicContact CD2-CG 4.32Å; M484-F488 WeakPolarHBondContact O-CB 3.36Å; M484-F488 PolarHBondContact O-N 3.42Å; F485-F488 WeakPolarHBondContact O-CB 3.36Å; F485-F488 PolarHBondContact O-N 2.95Å; S486-F488 PolarHBondContact O-N 3.01Å; F488-N490 PolarHBondContact O-N 2.87Å; F488-K491 PolarHBondContact O-N 3.11Å; F488-K491 VanDerWaalsContact O-N 3.1Å; F488-Y494 HydrophobicContact CB-CE1 4.17Å
489	L	98.8	Very high	98.5	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-34.8	-178.6	-69.6	-174.9	0	0	0	113.2	P91 V93 I134 A135 F187 F485	P91-L489 HydrophobicContact CB-CD2 4.35Å; P91-L489 HydrophobicContact CG-CD1 4.36Å; V93-L489 HydrophobicContact CG2-CD1 4.42Å; V93-L489 HydrophobicContact CG2-CD2 4.08Å; I134-L489 HydrophobicContact CD1-CD1 4.19Å; I134-L489 HydrophobicContact CG1-CD1 4.28Å; A135-L489 HydrophobicContact CB-CD1 4.03Å; F187-L489 HydrophobicContact CB-CD2 4.33Å; F187-L489 HydrophobicContact CD1-CD2 4.07Å; F187-L489 HydrophobicContact CD2-CD2 3.43Å; F187-L489 VanDerWaalsContact CD2-CD2 3.43Å; F187-L489 HydrophobicContact CE1-CD2 4.17Å; F187-L489 HydrophobicContact CE2-CD2 3.55Å; F187-L489 HydrophobicContact CG-CD2 3.69Å; F187-L489 HydrophobicContact CZ-CD2 3.91Å; F485-L489 HydrophobicContact CD1-CD1 4.25Å; F485-L489 HydrophobicContact CD2-CG 4.4Å; F485-L489 HydrophobicContact CE1-CD1 3.59Å; F485-L489 HydrophobicContact CE1-CG 4.41Å; F485-L489 HydrophobicContact CE2-CD1 3.9Å; F485-L489 HydrophobicContact CE2-CD2 4.29Å; F485-L489 HydrophobicContact CE2-CG 4.04Å; F485-L489 HydrophobicContact CZ-CD1 3.41Å; F485-L489 VanDerWaalsContact CZ-CD1 3.41Å; F485-L489 HydrophobicContact CZ-CG 4.09Å; F485-L489 PolarHBondContact O-N 3.36Å
490	N	98.4	Very high	98.5	Very high	91 Å²	91	37.8 Å²	37.8	49%	0.487	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4	-178.2	-71.2	-71.9	0	0	0	114.6	S486 R487 F488 Q492	S486-N490 VanDerWaalsContact O-CB 3.32Å; S486-N490 WeakPolarHBondContact O-CB 3.5Å; S486-N490 PolarHBondContact O-N 3.13Å; S486-N490 VanDerWaalsContact O-N 3.1Å; S486-N490 PolarHBondContact O-ND2 3.01Å; R487-N490 PolarHBondContact O-N 2.84Å; F488-N490 PolarHBondContact O-N 2.87Å; N490-Q492 HydrophobicContact CB-CG 3.87Å; N490-Q492 PolarHBondContact O-N 3.26Å
491	K	97.9	Very high	98.4	Very high	107 Å²	107	40.5 Å²	40.5	47%	0.465	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	33.9	-175.8	-70.7	171.3	-170.3	-54	0	113	R487 F488	R487-K491 PolarHBondContact O-N 3.31Å; R487-K491 VanDerWaalsContact O-N 3.14Å; F488-K491 PolarHBondContact O-N 3.11Å; F488-K491 VanDerWaalsContact O-N 3.1Å
492	Q	98.1	Very high	98.4	Very high	96 Å²	96	43.6 Å²	43.6	45%	0.449	22%	0.223	S	C	.	.			trans	-92	147.2	177.8	-64.8	177	-0.6	0	0	110.6	R487 N490	R487-Q492 HydrophobicContact CB-CB 4.15Å; R487-Q492 HydrophobicContact CG-CB 4.17Å; R487-Q492 PolarHBondContact O-N 3.49Å; N490-Q492 HydrophobicContact CB-CG 3.87Å; N490-Q492 PolarHBondContact O-N 3.26Å
493	P	96.8	Very high	98.3	Very high	100 Å²	100	44.3 Å²	44.3	65%	0.649	23%	0.228	S	C	*	.			trans	-57.5	140.5	169.5	-22.2	33.3	0	0	0	111.3	R487	R487-P493 WeakPolarHBondContact CD-O 3.46Å
494	Y	96.8	Very high	98.3	Very high	17 Å²	17	46 Å²	46	7%	0.067	24%	0.235	C	C	.	.			trans	-70.7	0	-178.9	-60	-78.2	0	0	0	113.5	L407 R438 W440 V455 A462 L464 M484 R487 F488	L407-Y494 HydrophobicContact CD1-CE1 4.26Å; L407-Y494 HydrophobicContact CD1-CE2 4.38Å; L407-Y494 HydrophobicContact CD2-CE1 4.02Å; R438-Y494 PolarHBondContact NH1-O 2.89Å; R438-Y494 PolarHBondContact NH2-O 3.1Å; W440-Y494 WeakPolarHBondContact CB-OXT 3.43Å; V455-Y494 HydrophobicContact CG2-CD2 3.81Å; V455-Y494 HydrophobicContact CG2-CG 4.17Å; A462-Y494 HydrophobicContact CB-CD2 4.22Å; A462-Y494 HydrophobicContact CB-CE2 3.61Å; L464-Y494 HydrophobicContact CD1-CD1 3.67Å; L464-Y494 HydrophobicContact CD1-CD2 4.42Å; L464-Y494 HydrophobicContact CD1-CE1 4.42Å; L464-Y494 HydrophobicContact CD1-CG 3.67Å; M484-Y494 HydrophobicContact CG-CD1 4.42Å; M484-Y494 HydrophobicContact CG-CE1 4.37Å; R487-Y494 HydrophobicContact CB-CD1 4.22Å; R487-Y494 HydrophobicContact CB-CE1 4.48Å; R487-Y494 PolarHBondContact NH1-OXT 2.87Å; F488-Y494 HydrophobicContact CB-CE1 4.17Å

Retrieved 494 of 494 residues in 143.4 ms (Link to these results)

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