A0A096LX80_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A096LX80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 aa.

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(Predicted Aligned Error values between residue pairs)

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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	43.4	Very low	39.6	Very low	244 Å²	244	150.7 Å²	150.7	100%	1.202	83%	0.828	S	S	*	*				0	103.9	0	-73.3	164.6	84	0	0	109.7
2	R	34.7	Very low	39.9	Very low	252 Å²	252	149.3 Å²	149.3	95%	0.951	83%	0.827	S	S	*	*			trans	-179.6	100.4	148.8	-106.2	175.4	-179.2	-174	0.1	107
3	S	32.8	Very low	39.8	Very low	110 Å²	110	150.7 Å²	150.7	77%	0.769	83%	0.83	S	S	*	*			trans	-91.2	115.9	174	179.2	0	0	0	0	107.7
4	S	34.8	Very low	40.1	Very low	108 Å²	108	149.9 Å²	149.9	76%	0.755	83%	0.832	S	S	*	*			trans	-91.9	102.9	172.1	-68.7	0	0	0	0	108.6
5	S	38.9	Very low	40.1	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	81%	0.814	S	S	*	*			trans	-85.9	106.7	173.7	-56.8	0	0	0	0	108.9	I7	S5-I7 PolarHBondContact O-N 3.42Å
6	H	39.1	Very low	40.1	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.815	81%	0.813	S	S	*	*			trans	-85.6	103.6	166.8	-79.2	-70.2	0	0	0	109.3	L8	H6-L8 PolarHBondContact O-N 3.45Å
7	I	45.7	Very low	39.8	Very low	159 Å²	159	145.5 Å²	145.5	82%	0.815	81%	0.813	S	S	*	*			trans	-76.7	109.4	166.6	-62.2	170.3	0	0	0	106.8	S5	S5-I7 PolarHBondContact O-N 3.42Å
8	L	39.5	Very low	39.7	Very low	150 Å²	150	144.2 Å²	144.2	79%	0.785	80%	0.803	S	S	*	*			trans	-71.6	135.5	165.4	-98.9	108.1	0	0	0	109.2	H6 L10	H6-L8 PolarHBondContact O-N 3.45Å; L8-L10 PolarHBondContact O-N 3.27Å
9	P	40.3	Very low	39.8	Very low	113 Å²	113	140.2 Å²	140.2	73%	0.734	79%	0.786	S	S	*	*			trans	-70.5	128.3	178.2	29.4	-31.4	0	0	0	109.6	G11	P9-G11 PolarHBondContact O-N 3.05Å
10	L	42.4	Very low	40.1	Very low	191 Å²	191	139.1 Å²	139.1	100%	1	77%	0.774	S	S	*	*	S	Bend	trans	-70.9	48.8	177.6	-144.3	94.1	0	0	0	111.8	L8	L8-L10 PolarHBondContact O-N 3.27Å
11	G	43.4	Very low	40.7	Very low	59 Å²	59	134.6 Å²	134.6	61%	0.608	75%	0.75	S	S	*	*			trans	-136.2	23.1	-158.4	0	0	0	0	0	116.1	P9	P9-G11 PolarHBondContact O-N 3.05Å
12	V	43.5	Very low	41.5	Very low	134 Å²	134	123.8 Å²	123.8	81%	0.812	70%	0.699	S	S	*	*	S	Bend	trans	-151	59	167.7	-165	0	0	0	0	110.1
13	L	38.6	Very low	43.3	Very low	167 Å²	167	112.7 Å²	112.7	87%	0.874	66%	0.659	S	S	*	*			trans	-145.9	35	167.3	-108.6	134	0	0	0	111.2	A15	L13-A15 PolarHBondContact O-N 2.8Å
14	T	44.2	Very low	45.6	Very low	140 Å²	140	107.5 Å²	107.5	86%	0.859	62%	0.623	S	S	*	*	S	Bend	trans	-64.9	88.6	148.1	36.6	0	0	0	0	106.5	L16	T14-L16 PolarHBondContact O-N 3.25Å; T14-L16 VanDerWaalsContact O-N 3.13Å
15	A	40.7	Very low	48.3	Very low	68 Å²	68	102.5 Å²	102.5	56%	0.562	59%	0.588	S	S	*	*			trans	-35.1	120.5	172.7	0	0	0	0	0	109.5	L13 L17	L13-A15 PolarHBondContact O-N 2.8Å; A15-L17 HydrophobicContact CB-CG 4.44Å; A15-L17 PolarHBondContact O-N 3.37Å
16	L	39.2	Very low	50.8	Low	151 Å²	151	99.4 Å²	99.4	79%	0.791	56%	0.563	S	S	*	*			trans	-56.6	70.1	153.3	-78.2	136.5	0	0	0	108.3	T14 L18	T14-L16 PolarHBondContact O-N 3.25Å; T14-L16 VanDerWaalsContact O-N 3.13Å; L16-L18 HydrophobicContact CB-CD1 4.5Å; L16-L18 HydrophobicContact CD2-CD1 3.47Å; L16-L18 VanDerWaalsContact CD2-CD1 3.47Å; L16-L18 HydrophobicContact CD2-CG 3.8Å; L16-L18 PolarHBondContact O-N 3.2Å
17	L	35.9	Very low	53.4	Low	155 Å²	155	91 Å²	91	81%	0.812	52%	0.524	S	S	*	.			trans	-71	63.5	147.1	-76.6	161.7	0	0	0	106	A15 S19	A15-L17 HydrophobicContact CB-CG 4.44Å; A15-L17 PolarHBondContact O-N 3.37Å; L17-S19 PolarHBondContact O-N 3.5Å
18	L	37.2	Very low	55.7	Low	123 Å²	123	83.5 Å²	83.5	64%	0.644	49%	0.485	S	S	*	.			trans	-61.3	83.9	152.3	-80.8	163.2	0	0	0	104.4	L16 Q20	L16-L18 HydrophobicContact CB-CD1 4.5Å; L16-L18 HydrophobicContact CD2-CD1 3.47Å; L16-L18 VanDerWaalsContact CD2-CD1 3.47Å; L16-L18 HydrophobicContact CD2-CG 3.8Å; L16-L18 PolarHBondContact O-N 3.2Å; L18-Q20 PolarHBondContact O-N 3.3Å
19	S	41	Very low	58.3	Low	68 Å²	68	76.6 Å²	76.6	48%	0.476	45%	0.45	S	S	.	.			trans	-44.4	103.2	155.4	47	0	0	0	0	105.1	L17 V21 K102	L17-S19 PolarHBondContact O-N 3.5Å; S19-V21 WeakPolarHBondContact O-CG2 3.03Å; S19-V21 PolarHBondContact O-N 2.79Å; S19-K102 PolarHBondContact OG-NZ 3.49Å
20	Q	47.1	Very low	60.8	Low	118 Å²	118	71.2 Å²	71.2	55%	0.551	42%	0.415	S	S	*	.			trans	-61.9	102.8	-168.7	-72	177.4	-24	0	0	107	L18 C22 G185 S186	L18-Q20 PolarHBondContact O-N 3.3Å; Q20-C22 PolarHBondContact O-N 2.77Å; Q20-G185 PolarHBondContact OE1-O 3.1Å; Q20-S186 VanDerWaalsContact OE1-N 3.11Å
21	V	52.4	Low	63.2	Low	45 Å²	45	62.9 Å²	62.9	27%	0.273	37%	0.373	S	S	.	.			trans	-73.3	111.7	-166.6	-167.8	0	0	0	0	107.9	S19 S23 K102	S19-V21 WeakPolarHBondContact O-CG2 3.03Å; S19-V21 PolarHBondContact O-N 2.79Å; V21-S23 PolarHBondContact O-N 2.88Å; V21-S23 PolarHBondContact O-OG 3.13Å; V21-K102 HydrophobicContact CG1-CD 4.37Å; V21-K102 HydrophobicContact CG1-CG 3.72Å
22	C	59.9	Low	65.5	Low	17 Å²	17	63.8 Å²	63.8	12%	0.115	36%	0.361	C	S	.	.			trans	-65.2	112.6	172.4	-170.8	0	0	0	0	108.8	Q20 Y118 Q193	Q20-C22 PolarHBondContact O-N 2.77Å; C22-Y118 PolarHBondContact SG-OH 3Å; C22-Q193 PolarHBondContact SG-NE2 3.42Å; C22-Q193 PolarHBondContact SG-OE1 3.44Å
23	S	72.9	Confident	67.8	Low	18 Å²	18	57.7 Å²	57.7	13%	0.126	32%	0.324	C	S	.	.			trans	-106.6	13.4	-175.3	-59	0	0	0	0	112.6	V21 I25 K26	V21-S23 PolarHBondContact O-N 2.88Å; V21-S23 PolarHBondContact O-OG 3.13Å; S23-I25 PolarHBondContact O-N 3.34Å; S23-K26 PolarHBondContact O-N 3.3Å; S23-K26 WeakPolarHBondContact OG-CE 3.49Å; S23-K26 PolarHBondContact OG-NZ 2.95Å; S23-K26 VanDerWaalsContact OG-NZ 3.15Å
24	G	81.7	Confident	70.2	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-49.9	-171.5	0	0	0	0	0	113.9	W27 Y118	G24-W27 VanDerWaalsContact O-CD1 3.25Å; G24-Y118 WeakPolarHBondContact CA-OH 3.47Å
25	I	91.8	Very high	71.9	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	12.8	-180	55.1	166.2	0	0	0	113.7	S23 W27 L28 Y103 L107 V117 Y118	S23-I25 PolarHBondContact O-N 3.34Å; I25-W27 PolarHBondContact O-N 2.01Å; I25-L28 HydrophobicContact CB-CD1 4.05Å; I25-L28 HydrophobicContact CB-CG 4.4Å; I25-L28 WeakPolarHBondContact O-CB 3.44Å; I25-L28 VanDerWaalsContact O-CG 3.29Å; I25-L28 WeakPolarHBondContact O-CG 2.96Å; I25-L28 PolarHBondContact O-N 3.4Å; I25-L28 VanDerWaalsContact O-N 3.15Å; I25-Y103 HydrophobicContact CD1-CD2 4.27Å; I25-Y103 HydrophobicContact CD1-CE2 4.06Å; I25-Y103 HydrophobicContact CG1-CD2 4.12Å; I25-Y103 HydrophobicContact CG1-CE2 3.69Å; I25-Y103 PolarHBondContact O-OH 3.18Å; I25-L107 HydrophobicContact CD1-CB 4.46Å; I25-V117 HydrophobicContact CD1-CB 4.43Å; I25-V117 HydrophobicContact CD1-CG1 3.63Å; I25-V117 HydrophobicContact CG2-CG1 4.41Å; I25-Y118 HydrophobicContact CB-CE2 4.24Å; I25-Y118 HydrophobicContact CD1-CD2 4.24Å; I25-Y118 HydrophobicContact CD1-CE2 3.77Å; I25-Y118 HydrophobicContact CG1-CD2 4.4Å; I25-Y118 HydrophobicContact CG1-CE2 3.67Å; I25-Y118 HydrophobicContact CG2-CD1 3.84Å; I25-Y118 HydrophobicContact CG2-CD2 3.68Å; I25-Y118 HydrophobicContact CG2-CE1 3.78Å; I25-Y118 HydrophobicContact CG2-CE2 3.62Å; I25-Y118 HydrophobicContact CG2-CG 3.81Å
26	K	91.3	Very high	73.8	Confident	30 Å²	30	52 Å²	52	13%	0.13	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-65.3	-24.6	179.8	-77.1	-172.6	-175.6	176.1	0	113.7	S23 L28 A29 G50 T101 Y103	S23-K26 PolarHBondContact O-N 3.3Å; S23-K26 WeakPolarHBondContact OG-CE 3.49Å; S23-K26 PolarHBondContact OG-NZ 2.95Å; S23-K26 VanDerWaalsContact OG-NZ 3.15Å; K26-L28 PolarHBondContact O-N 3.21Å; K26-L28 VanDerWaalsContact O-N 3.08Å; K26-A29 VanDerWaalsContact O-CB 3.26Å; K26-A29 WeakPolarHBondContact O-CB 3.27Å; K26-A29 PolarHBondContact O-N 3.43Å; K26-G50 CarbonylContact C-O 3.58Å; K26-G50 VanDerWaalsContact C-O 3.23Å; K26-G50 VanDerWaalsContact CB-O 3.29Å; K26-G50 WeakPolarHBondContact CB-O 3.48Å; K26-G50 WeakPolarHBondContact O-CA 3.22Å; K26-T101 WeakPolarHBondContact CE-O 3.49Å; K26-T101 PolarHBondContact NZ-O 3.38Å; K26-Y103 HydrophobicContact CG-CD2 4.44Å; K26-Y103 HydrophobicContact CG-CE2 3.99Å
27	W	92.9	Very high	75.9	Confident	1 Å²	1	48.6 Å²	48.6	0%	0.004	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-60.4	-17.2	174.8	71.9	-92.7	0	0	0	112.9	G24 I25 A29 L30 G50 I69 A72 A73 V76 I125 F174	G24-W27 VanDerWaalsContact O-CD1 3.25Å; I25-W27 PolarHBondContact O-N 2.01Å; W27-A29 PolarHBondContact O-N 3.38Å; W27-A29 VanDerWaalsContact O-N 3.1Å; W27-L30 HydrophobicContact CB-CD1 4.43Å; W27-L30 HydrophobicContact CE3-CD1 4.3Å; W27-L30 WeakPolarHBondContact O-CB 3.03Å; W27-L30 WeakPolarHBondContact O-CG 3.34Å; W27-L30 PolarHBondContact O-N 3.24Å; W27-G50 PolarHBondContact N-O 2.87Å; W27-I69 HydrophobicContact CE3-CG2 4.12Å; W27-I69 HydrophobicContact CZ3-CG2 4.18Å; W27-A72 HydrophobicContact CH2-CB 4.48Å; W27-A73 HydrophobicContact CE3-CB 4.03Å; W27-A73 HydrophobicContact CZ3-CB 3.66Å; W27-V76 HydrophobicContact CH2-CG2 4.43Å; W27-I125 HydrophobicContact CH2-CB 4.06Å; W27-I125 HydrophobicContact CH2-CD1 4.11Å; W27-I125 HydrophobicContact CH2-CG1 4.38Å; W27-I125 HydrophobicContact CZ2-CB 4.38Å; W27-I125 HydrophobicContact CZ2-CD1 4.32Å; W27-I125 HydrophobicContact CZ3-CD1 4.39Å; W27-F174 HydrophobicContact CB-CE1 3.81Å; W27-F174 HydrophobicContact CB-CZ 4.31Å; W27-F174 HydrophobicContact CD2-CD1 4.47Å; W27-F174 AromaticContact CD2-CE1 3.92Å; W27-F174 HydrophobicContact CD2-CE1 3.92Å; W27-F174 HydrophobicContact CE3-CE1 4.04Å; W27-F174 AromaticContact CG-CE1 3.83Å; W27-F174 HydrophobicContact CG-CE1 3.83Å
28	L	94.3	Very high	78.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.8	-17.3	172.2	-59.3	178	0	0	0	112.9	I25 K26 L30 S31 A73 V76 I94 V117	I25-L28 HydrophobicContact CB-CD1 4.05Å; I25-L28 HydrophobicContact CB-CG 4.4Å; I25-L28 WeakPolarHBondContact O-CB 3.44Å; I25-L28 VanDerWaalsContact O-CG 3.29Å; I25-L28 WeakPolarHBondContact O-CG 2.96Å; I25-L28 PolarHBondContact O-N 3.4Å; I25-L28 VanDerWaalsContact O-N 3.15Å; K26-L28 PolarHBondContact O-N 3.21Å; K26-L28 VanDerWaalsContact O-N 3.08Å; L28-L30 PolarHBondContact O-N 3.02Å; L28-S31 WeakPolarHBondContact O-CB 3.45Å; L28-S31 PolarHBondContact O-N 2.94Å; L28-S31 VanDerWaalsContact O-N 3.16Å; L28-S31 PolarHBondContact O-OG 3.09Å; L28-A73 HydrophobicContact CD2-CB 4.41Å; L28-V76 HydrophobicContact CD1-CG1 3.95Å; L28-V76 HydrophobicContact CD2-CB 3.83Å; L28-V76 HydrophobicContact CD2-CG1 3.73Å; L28-V76 HydrophobicContact CD2-CG2 4Å; L28-I94 HydrophobicContact CD1-CD1 3.85Å; L28-I94 HydrophobicContact CD1-CG1 3.79Å; L28-V117 HydrophobicContact CD1-CG1 4.09Å
29	A	92.9	Very high	80.7	Confident	6 Å²	6	39.2 Å²	39.2	5%	0.05	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60	-21.1	169.6	0	0	0	0	0	112.9	K26 W27 S31 H32 P49 I96	K26-A29 VanDerWaalsContact O-CB 3.26Å; K26-A29 WeakPolarHBondContact O-CB 3.27Å; K26-A29 PolarHBondContact O-N 3.43Å; W27-A29 PolarHBondContact O-N 3.38Å; W27-A29 VanDerWaalsContact O-N 3.1Å; A29-S31 PolarHBondContact O-N 2.94Å; A29-S31 VanDerWaalsContact O-N 3.11Å; A29-H32 PolarHBondContact O-N 2.64Å; A29-H32 VanDerWaalsContact O-N 3.09Å; A29-H32 PolarHBondContact O-ND1 3.26Å; A29-P49 HydrophobicContact CB-CB 4.14Å; A29-P49 HydrophobicContact CB-CG 4.34Å; A29-P49 WeakPolarHBondContact O-CG 3.14Å; A29-I96 HydrophobicContact CB-CG2 3.81Å
30	L	93.1	Very high	83.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-55.8	-25.3	173.6	-70.7	176.8	0	0	0	113	W27 L28 H32 T33 L48 M51 M66 I69 I70 A73 F174	W27-L30 HydrophobicContact CB-CD1 4.43Å; W27-L30 HydrophobicContact CE3-CD1 4.3Å; W27-L30 WeakPolarHBondContact O-CB 3.03Å; W27-L30 WeakPolarHBondContact O-CG 3.34Å; W27-L30 PolarHBondContact O-N 3.24Å; L28-L30 PolarHBondContact O-N 3.02Å; L30-H32 PolarHBondContact O-N 2.87Å; L30-H32 VanDerWaalsContact O-N 3.15Å; L30-T33 WeakPolarHBondContact O-CB 3.18Å; L30-T33 PolarHBondContact O-N 2.93Å; L30-T33 PolarHBondContact O-OG1 2.98Å; L30-L48 HydrophobicContact CD2-CB 3.69Å; L30-L48 HydrophobicContact CD2-CD1 4.09Å; L30-L48 HydrophobicContact CD2-CD2 4.01Å; L30-L48 HydrophobicContact CD2-CG 4.14Å; L30-M51 HydrophobicContact CD1-CG 4.43Å; L30-M51 HydrophobicContact CD1-SD 4.42Å; L30-M51 HydrophobicContact CD2-CG 4.11Å; L30-M51 HydrophobicContact CD2-SD 4.22Å; L30-M51 HydrophobicContact CG-CG 4.47Å; L30-M66 HydrophobicContact CD1-CE 4.17Å; L30-I69 HydrophobicContact CD1-CG2 3.7Å; L30-I70 HydrophobicContact CB-CG1 4.19Å; L30-A73 HydrophobicContact CB-CB 4.1Å; L30-F174 HydrophobicContact CD1-CE1 4.5Å; L30-F174 HydrophobicContact CD1-CZ 4.15Å
31	S	93.8	Very high	85.3	Confident	16 Å²	16	39.4 Å²	39.4	11%	0.112	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-56.2	-25.8	174.9	55.8	0	0	0	0	114.3	L28 A29 T33 K77	L28-S31 WeakPolarHBondContact O-CB 3.45Å; L28-S31 PolarHBondContact O-N 2.94Å; L28-S31 VanDerWaalsContact O-N 3.16Å; L28-S31 PolarHBondContact O-OG 3.09Å; A29-S31 PolarHBondContact O-N 2.94Å; A29-S31 VanDerWaalsContact O-N 3.11Å; S31-T33 VanDerWaalsContact C-N 3.26Å; S31-T33 PolarHBondContact O-N 3.3Å; S31-K77 WeakPolarHBondContact OG-CD 3.42Å; S31-K77 WeakPolarHBondContact OG-CE 3.31Å; S31-K77 PolarHBondContact OG-NZ 2.97Å
32	H	91.3	Very high	87.2	Confident	78 Å²	78	41 Å²	41	36%	0.361	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-78.2	-9.3	174.9	-53	102.6	0	0	0	113.3	A29 L30 P34 K77 I96 V98	A29-H32 PolarHBondContact O-N 2.64Å; A29-H32 VanDerWaalsContact O-N 3.09Å; A29-H32 PolarHBondContact O-ND1 3.26Å; L30-H32 PolarHBondContact O-N 2.87Å; L30-H32 VanDerWaalsContact O-N 3.15Å; H32-P34 WeakPolarHBondContact O-CD 3.05Å; H32-K77 PolarHBondContact CE1-NZ 2.62Å; H32-K77 PolarHBondContact NE2-NZ 2.89Å; H32-K77 VanDerWaalsContact NE2-NZ 3.12Å; H32-I96 PolarHBondContact CE1-O 3.1Å; H32-V98 HydrophobicContact CB-CG2 4.13Å
33	T	91.1	Very high	88.7	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.031	26%	0.262	C	S	.	.	S	Bend	trans	-65.1	128.1	176	-51.1	0	0	0	0	108.4	L30 S31 R37 L48 I70 R74	L30-T33 WeakPolarHBondContact O-CB 3.18Å; L30-T33 PolarHBondContact O-N 2.93Å; L30-T33 PolarHBondContact O-OG1 2.98Å; S31-T33 VanDerWaalsContact C-N 3.26Å; S31-T33 PolarHBondContact O-N 3.3Å; T33-R37 HydrophobicContact CG2-CB 4.09Å; T33-R37 HydrophobicContact CG2-CG 4.5Å; T33-L48 HydrophobicContact CG2-CD2 3.87Å; T33-I70 HydrophobicContact CG2-CD1 3.97Å; T33-R74 PolarHBondContact O-NH2 2.92Å
34	P	89.4	Confident	89.7	Confident	73 Å²	73	46.5 Å²	46.5	47%	0.474	26%	0.263	S	S	.	.			trans	-59.8	141.5	176.7	-24	33.8	0	0	0	111.6	H32 S36 R37	H32-P34 WeakPolarHBondContact O-CD 3.05Å; P34-S36 PolarHBondContact O-N 2.82Å; P34-R37 HydrophobicContact CB-CB 4.48Å; P34-R37 WeakPolarHBondContact O-CB 3.45Å; P34-R37 PolarHBondContact O-N 3.35Å; P34-R37 VanDerWaalsContact O-N 3.09Å
35	A	81.1	Confident	90.2	Very high	75 Å²	75	46.5 Å²	46.5	62%	0.62	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28	178.7	0	0	0	0	0	113.1	R37	A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.12Å
36	S	79.2	Confident	90	Very high	109 Å²	109	54 Å²	54	76%	0.762	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-9	177.1	55.2	0	0	0	0	114.2	P34 P38	P34-S36 PolarHBondContact O-N 2.82Å; S36-P38 WeakPolarHBondContact O-CD 2.96Å
37	R	84.5	Confident	89.8	Confident	79 Å²	79	57.4 Å²	57.4	30%	0.298	32%	0.315	S	S	.	.			trans	-78.8	113.3	-174.5	-166.5	179	-167	-165.4	7.3	110.5	T33 P34 A35 L47 Q67	T33-R37 HydrophobicContact CG2-CB 4.09Å; T33-R37 HydrophobicContact CG2-CG 4.5Å; P34-R37 HydrophobicContact CB-CB 4.48Å; P34-R37 WeakPolarHBondContact O-CB 3.45Å; P34-R37 PolarHBondContact O-N 3.35Å; P34-R37 VanDerWaalsContact O-N 3.09Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.12Å; R37-L47 PolarHBondContact NH1-O 2.78Å; R37-L47 VanDerWaalsContact NH2-CD1 3.29Å; R37-Q67 PolarHBondContact O-NE2 3.13Å
38	P	83.8	Confident	89.7	Confident	70 Å²	70	58 Å²	58	46%	0.455	32%	0.318	S	S	.	.			trans	-72	141.5	178.7	29.9	-33.9	0	0	0	110.8	S36 H44	S36-P38 WeakPolarHBondContact O-CD 2.96Å; P38-H44 PolarHBondContact O-ND1 3.38Å
39	V	89.5	Confident	89.5	Confident	11 Å²	11	59.4 Å²	59.4	7%	0.067	33%	0.327	C	S	.	.			trans	-116.7	64	171.6	-171.5	0	0	0	0	107.7	H44 L48 L63 M66 I70	V39-H44 HydrophobicContact CG1-CB 4.34Å; V39-L48 HydrophobicContact CG1-CD1 4.45Å; V39-L63 HydrophobicContact CG1-CD2 4.14Å; V39-M66 HydrophobicContact CB-CB 4.1Å; V39-M66 HydrophobicContact CG1-CB 3.75Å; V39-M66 HydrophobicContact CG1-CG 4Å; V39-M66 HydrophobicContact CG2-CB 4.42Å; V39-I70 HydrophobicContact CG2-CD1 4.19Å
40	N	90.7	Very high	89.3	Confident	101 Å²	101	60.6 Å²	60.6	54%	0.54	34%	0.34	S	S	.	.			trans	-106	-5.7	-176.2	61.6	-13.1	0	0	0	113.3	H44	N40-H44 PolarHBondContact OD1-CE1 2.61Å; N40-H44 PolarHBondContact OD1-ND1 3.32Å
41	Q	93.4	Very high	89.1	Confident	88 Å²	88	62.1 Å²	62.1	41%	0.411	35%	0.348	S	S	.	.	S	Bend	trans	-129.6	144	179.3	-64	173.3	-2.8	0	0	110.7	Q43 H44	Q41-Q43 HydrophobicContact CB-CG 3.97Å; Q41-Q43 PolarHBondContact O-N 3.43Å; Q41-Q43 VanDerWaalsContact O-N 3.11Å; Q41-H44 VanDerWaalsContact O-CB 3.32Å; Q41-H44 WeakPolarHBondContact O-CB 3.26Å; Q41-H44 PolarHBondContact O-N 2.73Å
42	T	93.1	Very high	88.9	Confident	79 Å²	79	62.7 Å²	62.7	49%	0.485	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.7	-177.5	57.4	0	0	0	0	113.5	H44 C45 R60 L63	T42-H44 VanDerWaalsContact C-N 3.32Å; T42-C45 WeakPolarHBondContact O-CB 3.45Å; T42-C45 PolarHBondContact O-N 3.46Å; T42-R60 HydrophobicContact CG2-CB 4.14Å; T42-R60 HydrophobicContact CG2-CG 4.34Å; T42-L63 HydrophobicContact CG2-CD1 4.27Å
43	Q	91.5	Very high	88.8	Confident	116 Å²	116	63.5 Å²	63.5	54%	0.542	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.4	175	62.3	-166.4	9.4	0	0	113.3	Q41 C45 K46	Q41-Q43 HydrophobicContact CB-CG 3.97Å; Q41-Q43 PolarHBondContact O-N 3.43Å; Q41-Q43 VanDerWaalsContact O-N 3.11Å; Q43-C45 PolarHBondContact O-N 2.04Å; Q43-K46 PolarHBondContact O-N 3.31Å; Q43-K46 VanDerWaalsContact O-N 3.11Å
44	H	92.8	Very high	88.8	Confident	34 Å²	34	64.6 Å²	64.6	16%	0.157	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-63.8	-30.9	177.8	-60.6	175.8	0	0	0	111.7	P38 V39 N40 Q41 T42 K46 L47	P38-H44 PolarHBondContact O-ND1 3.38Å; V39-H44 HydrophobicContact CG1-CB 4.34Å; N40-H44 PolarHBondContact OD1-CE1 2.61Å; N40-H44 PolarHBondContact OD1-ND1 3.32Å; Q41-H44 VanDerWaalsContact O-CB 3.32Å; Q41-H44 WeakPolarHBondContact O-CB 3.26Å; Q41-H44 PolarHBondContact O-N 2.73Å; T42-H44 VanDerWaalsContact C-N 3.32Å; H44-K46 PolarHBondContact O-N 3.04Å; H44-K46 VanDerWaalsContact O-N 3.17Å; H44-L47 PolarHBondContact O-N 3.26Å
45	C	92.6	Very high	89.1	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-58.6	-27.7	175.7	-63.1	0	0	0	0	113.6	T42 Q43 L47 M51 C59 R60	T42-C45 WeakPolarHBondContact O-CB 3.45Å; T42-C45 PolarHBondContact O-N 3.46Å; Q43-C45 PolarHBondContact O-N 2.04Å; C45-L47 VanDerWaalsContact C-N 3.3Å; C45-M51 HydrophobicContact CB-CE 4.47Å; C45-M51 WeakPolarHBondContact O-CE 3.32Å; C45-C59 WeakPolarHBondContact CA-SG 3.13Å; C45-C59 HydrophobicContact CB-CB 3.73Å; C45-C59 WeakPolarHBondContact CB-SG 3.31Å; C45-C59 WeakPolarHBondContact SG-CB 3.47Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 2.85Å; C45-R60 HydrophobicContact CB-CG 4.01Å; C45-R60 PolarHBondContact SG-N 3.31Å; C45-R60 VanDerWaalsContact SG-N 3.41Å
46	K	87.4	Confident	89.7	Confident	161 Å²	161	58.1 Å²	58.1	70%	0.7	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-75.2	-22.8	176.6	-67	-177.7	179.7	177.6	0	112.5	Q43 H44	Q43-K46 PolarHBondContact O-N 3.31Å; Q43-K46 VanDerWaalsContact O-N 3.11Å; H44-K46 PolarHBondContact O-N 3.04Å; H44-K46 VanDerWaalsContact O-N 3.17Å
47	L	88.2	Confident	90.4	Very high	102 Å²	102	59.4 Å²	59.4	53%	0.534	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-94.2	2.7	-175.3	-52.7	174.1	0	0	0	113	R37 H44 C45	R37-L47 PolarHBondContact NH1-O 2.78Å; R37-L47 VanDerWaalsContact NH2-CD1 3.29Å; H44-L47 PolarHBondContact O-N 3.26Å; C45-L47 VanDerWaalsContact C-N 3.3Å
48	L	90.4	Very high	90.9	Very high	12 Å²	12	57 Å²	57	6%	0.063	31%	0.312	C	S	.	.	S	Bend	trans	-89.1	128.3	180	-75.7	-178.9	0	0	0	109.9	L30 T33 V39 M51 M66 I70	L30-L48 HydrophobicContact CD2-CB 3.69Å; L30-L48 HydrophobicContact CD2-CD1 4.09Å; L30-L48 HydrophobicContact CD2-CD2 4.01Å; L30-L48 HydrophobicContact CD2-CG 4.14Å; T33-L48 HydrophobicContact CG2-CD2 3.87Å; V39-L48 HydrophobicContact CG1-CD1 4.45Å; L48-M51 HydrophobicContact CB-CE 3.52Å; L48-M51 HydrophobicContact CB-CG 4.49Å; L48-M51 HydrophobicContact CB-SD 4.1Å; L48-M51 HydrophobicContact CD1-CE 3.92Å; L48-M51 HydrophobicContact CD1-SD 4.11Å; L48-M51 HydrophobicContact CG-CE 4.31Å; L48-M66 HydrophobicContact CD1-CE 3.67Å; L48-I70 HydrophobicContact CD2-CD1 4.37Å
49	P	90	Very high	91.4	Very high	31 Å²	31	53.6 Å²	53.6	20%	0.201	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	151	-173.4	30.4	-36.6	0	0	0	112.4	A29 M51	A29-P49 HydrophobicContact CB-CB 4.14Å; A29-P49 HydrophobicContact CB-CG 4.34Å; A29-P49 WeakPolarHBondContact O-CG 3.14Å; P49-M51 PolarHBondContact O-N 3.25Å; P49-M51 VanDerWaalsContact O-N 3.14Å
50	G	87.7	Confident	91.7	Very high	30 Å²	30	58.2 Å²	58.2	31%	0.309	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	4.1	168.1	0	0	0	0	0	116.4	K26 W27	K26-G50 CarbonylContact C-O 3.58Å; K26-G50 VanDerWaalsContact C-O 3.23Å; K26-G50 VanDerWaalsContact CB-O 3.29Å; K26-G50 WeakPolarHBondContact CB-O 3.48Å; K26-G50 WeakPolarHBondContact O-CA 3.22Å; W27-G50 PolarHBondContact N-O 2.87Å
51	M	89.4	Confident	91.9	Very high	33 Å²	33	57.2 Å²	57.2	16%	0.163	31%	0.307	C	S	.	.			trans	-83.6	141.7	175.4	-62.7	-163.8	-48	0	0	112	L30 C45 L48 P49 Q55 A56 C59 M66 F174	L30-M51 HydrophobicContact CD1-CG 4.43Å; L30-M51 HydrophobicContact CD1-SD 4.42Å; L30-M51 HydrophobicContact CD2-CG 4.11Å; L30-M51 HydrophobicContact CD2-SD 4.22Å; L30-M51 HydrophobicContact CG-CG 4.47Å; C45-M51 HydrophobicContact CB-CE 4.47Å; C45-M51 WeakPolarHBondContact O-CE 3.32Å; L48-M51 HydrophobicContact CB-CE 3.52Å; L48-M51 HydrophobicContact CB-CG 4.49Å; L48-M51 HydrophobicContact CB-SD 4.1Å; L48-M51 HydrophobicContact CD1-CE 3.92Å; L48-M51 HydrophobicContact CD1-SD 4.11Å; L48-M51 HydrophobicContact CG-CE 4.31Å; P49-M51 PolarHBondContact O-N 3.25Å; P49-M51 VanDerWaalsContact O-N 3.14Å; M51-Q55 HydrophobicContact CB-CB 4.17Å; M51-Q55 HydrophobicContact CG-CB 4.5Å; M51-A56 HydrophobicContact CE-CB 4.27Å; M51-C59 HydrophobicContact CE-CB 4.34Å; M51-M66 HydrophobicContact SD-CE 3.92Å; M51-F174 HydrophobicContact SD-CE2 4.48Å; M51-F174 HydrophobicContact SD-CZ 4.27Å
52	V	89	Confident	92	Very high	27 Å²	27	55 Å²	55	16%	0.164	30%	0.298	C	S	.	.			trans	-88.3	168	167.9	-57.8	0	0	0	0	111.3	S54 Q55 A56 P178 M181	V52-S54 VanDerWaalsContact C-N 3.29Å; V52-S54 VanDerWaalsContact CG2-OG 3.3Å; V52-S54 WeakPolarHBondContact CG2-OG 3.43Å; V52-S54 PolarHBondContact O-N 3.4Å; V52-Q55 HydrophobicContact CG2-CB 4.14Å; V52-Q55 HydrophobicContact CG2-CG 3.83Å; V52-Q55 VanDerWaalsContact N-OE1 3.14Å; V52-Q55 WeakPolarHBondContact O-CB 3.37Å; V52-Q55 PolarHBondContact O-N 3.43Å; V52-A56 PolarHBondContact O-N 3.05Å; V52-P178 HydrophobicContact CG1-CB 4.17Å; V52-P178 HydrophobicContact CG1-CG 4.36Å; V52-P178 HydrophobicContact CG2-CB 4.02Å; V52-P178 HydrophobicContact CG2-CG 3.78Å; V52-M181 HydrophobicContact CG2-SD 4.3Å
53	S	90.4	Very high	92.1	Very high	95 Å²	95	53 Å²	53	66%	0.664	28%	0.284	S	S	*	.	H	α-helix	trans	-55.5	-38.9	-177.3	-49.4	0	0	0	0	114.1	A56 Q57	S53-A56 PolarHBondContact O-N 2.91Å; S53-Q57 PolarHBondContact O-N 3.43Å
54	S	90.9	Very high	92.1	Very high	28 Å²	28	52.6 Å²	52.6	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-68	-38.1	177.4	50.4	0	0	0	0	112.6	V52 Q57 L58 A177	V52-S54 VanDerWaalsContact C-N 3.29Å; V52-S54 VanDerWaalsContact CG2-OG 3.3Å; V52-S54 WeakPolarHBondContact CG2-OG 3.43Å; V52-S54 PolarHBondContact O-N 3.4Å; S54-Q57 PolarHBondContact O-N 2.77Å; S54-L58 WeakPolarHBondContact O-CG 3.43Å; S54-L58 PolarHBondContact O-N 2.99Å; S54-L58 VanDerWaalsContact O-N 3.14Å; S54-A177 WeakPolarHBondContact OG-CB 3.39Å; S54-A177 PolarHBondContact OG-O 3.45Å
55	Q	94.7	Very high	92.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-39.7	172.8	-70.6	173.9	-35.4	0	0	111.6	M51 V52 Q57 L58 C59 F174 A177 P178	M51-Q55 HydrophobicContact CB-CB 4.17Å; M51-Q55 HydrophobicContact CG-CB 4.5Å; V52-Q55 HydrophobicContact CG2-CB 4.14Å; V52-Q55 HydrophobicContact CG2-CG 3.83Å; V52-Q55 VanDerWaalsContact N-OE1 3.14Å; V52-Q55 WeakPolarHBondContact O-CB 3.37Å; V52-Q55 PolarHBondContact O-N 3.43Å; Q55-Q57 VanDerWaalsContact C-N 3.29Å; Q55-Q57 PolarHBondContact O-N 2.68Å; Q55-L58 WeakPolarHBondContact O-CB 3.44Å; Q55-L58 PolarHBondContact O-N 2.04Å; Q55-C59 PolarHBondContact O-N 3.33Å; Q55-F174 HydrophobicContact CB-CD2 4.35Å; Q55-F174 HydrophobicContact CB-CE2 3.78Å; Q55-F174 HydrophobicContact CB-CZ 4.05Å; Q55-F174 HydrophobicContact CG-CD2 4.25Å; Q55-F174 HydrophobicContact CG-CE1 4.42Å; Q55-F174 HydrophobicContact CG-CE2 4.02Å; Q55-F174 HydrophobicContact CG-CZ 4.1Å; Q55-F174 PolarHBondContact NE2-O 3.33Å; Q55-A177 HydrophobicContact CG-CB 4Å; Q55-P178 HydrophobicContact CG-CG 4.49Å
56	A	94.4	Very high	92.3	Very high	12 Å²	12	51.4 Å²	51.4	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-35.2	175.1	0	0	0	0	0	112.2	M51 V52 S53 C59 R60	M51-A56 HydrophobicContact CE-CB 4.27Å; V52-A56 PolarHBondContact O-N 3.05Å; S53-A56 PolarHBondContact O-N 2.91Å; A56-C59 WeakPolarHBondContact O-CB 3.04Å; A56-C59 PolarHBondContact O-N 2.83Å; A56-R60 WeakPolarHBondContact O-CG 3.36Å; A56-R60 PolarHBondContact O-N 3.13Å; A56-R60 VanDerWaalsContact O-N 3.12Å
57	Q	93.8	Very high	92.6	Very high	136 Å²	136	47 Å²	47	64%	0.636	26%	0.259	S	S	*	.	H	α-helix	trans	-66.4	-41.4	173	-175.1	178	-0.2	0	0	111.9	S53 S54 Q55 C59 R60 S61	S53-Q57 PolarHBondContact O-N 3.43Å; S54-Q57 PolarHBondContact O-N 2.77Å; Q55-Q57 VanDerWaalsContact C-N 3.29Å; Q55-Q57 PolarHBondContact O-N 2.68Å; Q57-C59 VanDerWaalsContact C-N 3.34Å; Q57-R60 PolarHBondContact O-N 2.83Å; Q57-S61 PolarHBondContact O-N 2.82Å; Q57-S61 PolarHBondContact O-OG 3.01Å
58	L	94.6	Very high	93	Very high	28 Å²	28	42.9 Å²	42.9	15%	0.147	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-41.4	174.3	-69.1	170.1	0	0	0	112	S54 Q55 R60 S61 N62 K173 F174 A177	S54-L58 WeakPolarHBondContact O-CG 3.43Å; S54-L58 PolarHBondContact O-N 2.99Å; S54-L58 VanDerWaalsContact O-N 3.14Å; Q55-L58 WeakPolarHBondContact O-CB 3.44Å; Q55-L58 PolarHBondContact O-N 2.04Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.46Å; L58-S61 PolarHBondContact O-N 2.92Å; L58-S61 PolarHBondContact O-OG 3.26Å; L58-S61 VanDerWaalsContact O-OG 3.11Å; L58-N62 WeakPolarHBondContact O-CB 3.34Å; L58-N62 PolarHBondContact O-N 3.14Å; L58-N62 PolarHBondContact O-ND2 3.49Å; L58-N62 VanDerWaalsContact O-ND2 3.08Å; L58-K173 HydrophobicContact CD1-CG 4.14Å; L58-K173 VanDerWaalsContact CD1-O 3.26Å; L58-K173 WeakPolarHBondContact CD1-O 3.08Å; L58-K173 HydrophobicContact CD2-CD 3.79Å; L58-K173 HydrophobicContact CD2-CG 3.87Å; L58-F174 HydrophobicContact CB-CD2 4.36Å; L58-F174 HydrophobicContact CD1-CB 4.35Å; L58-F174 HydrophobicContact CD1-CD2 4.2Å; L58-A177 HydrophobicContact CD1-CB 4.41Å
59	C	95.8	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.6	-47.7	174.4	175.3	0	0	0	0	111.4	C45 M51 Q55 A56 Q57 S61 N62 L63 M66	C45-C59 WeakPolarHBondContact CA-SG 3.13Å; C45-C59 HydrophobicContact CB-CB 3.73Å; C45-C59 WeakPolarHBondContact CB-SG 3.31Å; C45-C59 WeakPolarHBondContact SG-CB 3.47Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 2.85Å; M51-C59 HydrophobicContact CE-CB 4.34Å; Q55-C59 PolarHBondContact O-N 3.33Å; A56-C59 WeakPolarHBondContact O-CB 3.04Å; A56-C59 PolarHBondContact O-N 2.83Å; Q57-C59 VanDerWaalsContact C-N 3.34Å; C59-S61 VanDerWaalsContact C-N 3.27Å; C59-S61 PolarHBondContact O-N 3.05Å; C59-N62 CarbonylContact O-C 3.48Å; C59-N62 VanDerWaalsContact O-C 3.31Å; C59-N62 PolarHBondContact O-N 3.34Å; C59-N62 VanDerWaalsContact O-N 3.17Å; C59-L63 WeakPolarHBondContact O-CD2 3.43Å; C59-L63 PolarHBondContact O-N 3.15Å; C59-M66 HydrophobicContact CB-CE 4.29Å; C59-M66 HydrophobicContact CB-CG 4.04Å; C59-M66 HydrophobicContact CB-SD 3.58Å; C59-M66 VanDerWaalsContact CB-SD 3.58Å; C59-M66 WeakPolarHBondContact SG-CG 3.04Å
60	R	95.8	Very high	93.6	Very high	108 Å²	108	40.9 Å²	40.9	41%	0.408	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-30.7	-178.6	-69.1	177.9	-163.1	142	8.7	113.4	T42 C45 A56 Q57 L58	T42-R60 HydrophobicContact CG2-CB 4.14Å; T42-R60 HydrophobicContact CG2-CG 4.34Å; C45-R60 HydrophobicContact CB-CG 4.01Å; C45-R60 PolarHBondContact SG-N 3.31Å; C45-R60 VanDerWaalsContact SG-N 3.41Å; A56-R60 WeakPolarHBondContact O-CG 3.36Å; A56-R60 PolarHBondContact O-N 3.13Å; A56-R60 VanDerWaalsContact O-N 3.12Å; Q57-R60 PolarHBondContact O-N 2.83Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.46Å
61	S	94.9	Very high	94	Very high	80 Å²	80	42.8 Å²	42.8	56%	0.559	23%	0.227	S	C	*	.	H	α-helix	trans	-89.7	-10.9	177.7	53.2	0	0	0	0	114	Q57 L58 C59	Q57-S61 PolarHBondContact O-N 2.82Å; Q57-S61 PolarHBondContact O-OG 3.01Å; L58-S61 PolarHBondContact O-N 2.92Å; L58-S61 PolarHBondContact O-OG 3.26Å; L58-S61 VanDerWaalsContact O-OG 3.11Å; C59-S61 VanDerWaalsContact C-N 3.27Å; C59-S61 PolarHBondContact O-N 3.05Å
62	N	94.9	Very high	94.4	Very high	40 Å²	40	41.2 Å²	41.2	21%	0.214	22%	0.219	C	C	.	.			trans	-141.6	59.4	-175.4	-58.8	-93.4	0	0	0	110.2	L58 C59 E64 L65	L58-N62 WeakPolarHBondContact O-CB 3.34Å; L58-N62 PolarHBondContact O-N 3.14Å; L58-N62 PolarHBondContact O-ND2 3.49Å; L58-N62 VanDerWaalsContact O-ND2 3.08Å; C59-N62 CarbonylContact O-C 3.48Å; C59-N62 VanDerWaalsContact O-C 3.31Å; C59-N62 PolarHBondContact O-N 3.34Å; C59-N62 VanDerWaalsContact O-N 3.17Å; N62-E64 VanDerWaalsContact C-N 3.32Å; N62-E64 PolarHBondContact O-N 3.16Å; N62-L65 HydrophobicContact CB-CB 3.94Å; N62-L65 HydrophobicContact CB-CD2 4.22Å; N62-L65 WeakPolarHBondContact O-CB 3.07Å; N62-L65 PolarHBondContact O-N 3.07Å; N62-L65 VanDerWaalsContact O-N 3.17Å
63	L	94.3	Very high	94.8	Very high	38 Å²	38	40 Å²	40	20%	0.199	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-41.8	-175.5	-70	172.3	0	0	0	112.4	V39 T42 C59 L65 M66	V39-L63 HydrophobicContact CG1-CD2 4.14Å; T42-L63 HydrophobicContact CG2-CD1 4.27Å; C59-L63 WeakPolarHBondContact O-CD2 3.43Å; C59-L63 PolarHBondContact O-N 3.15Å; L63-L65 VanDerWaalsContact C-N 3.25Å; L63-L65 PolarHBondContact O-N 3.41Å; L63-M66 WeakPolarHBondContact O-CB 3.13Å; L63-M66 PolarHBondContact O-N 3.25Å; L63-M66 VanDerWaalsContact O-N 3.14Å
64	E	92.3	Very high	95.1	Very high	108 Å²	108	38.3 Å²	38.3	51%	0.505	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.8	178.3	-62.7	-172.3	168.8	0	0	113	N62 M66 L138	N62-E64 VanDerWaalsContact C-N 3.32Å; N62-E64 PolarHBondContact O-N 3.16Å; E64-M66 PolarHBondContact O-N 2.76Å; E64-L138 HydrophobicContact CB-CD1 4.23Å
65	L	94.4	Very high	95.4	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-68.1	-22.7	-179.5	-175	64.4	0	0	0	112.8	N62 L63 Q67 T68 I69 I129 L138 M170	N62-L65 HydrophobicContact CB-CB 3.94Å; N62-L65 HydrophobicContact CB-CD2 4.22Å; N62-L65 WeakPolarHBondContact O-CB 3.07Å; N62-L65 PolarHBondContact O-N 3.07Å; N62-L65 VanDerWaalsContact O-N 3.17Å; L63-L65 VanDerWaalsContact C-N 3.25Å; L63-L65 PolarHBondContact O-N 3.41Å; L65-Q67 VanDerWaalsContact C-N 3.34Å; L65-Q67 PolarHBondContact O-N 2.74Å; L65-T68 WeakPolarHBondContact O-CB 3.49Å; L65-T68 PolarHBondContact O-N 2.68Å; L65-I69 HydrophobicContact CD2-CD1 3.9Å; L65-I69 HydrophobicContact CG-CD1 3.79Å; L65-I69 HydrophobicContact CG-CG1 4.09Å; L65-I69 PolarHBondContact O-N 3.26Å; L65-I129 HydrophobicContact CD1-CD1 3.99Å; L65-I129 HydrophobicContact CD1-CG1 3.9Å; L65-I129 HydrophobicContact CD1-CG2 4.21Å; L65-L138 HydrophobicContact CD1-CD1 4.41Å; L65-L138 HydrophobicContact CD1-CD2 3.64Å; L65-M170 HydrophobicContact CD2-CB 4.36Å; L65-M170 HydrophobicContact CD2-CE 3.42Å; L65-M170 VanDerWaalsContact CD2-CE 3.42Å
66	M	94.9	Very high	95.6	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-30.5	-168.6	-70.3	-57.1	-49.7	0	0	113.7	L30 V39 L48 M51 C59 L63 E64 T68 I69 I70 F174	L30-M66 HydrophobicContact CD1-CE 4.17Å; V39-M66 HydrophobicContact CB-CB 4.1Å; V39-M66 HydrophobicContact CG1-CB 3.75Å; V39-M66 HydrophobicContact CG1-CG 4Å; V39-M66 HydrophobicContact CG2-CB 4.42Å; L48-M66 HydrophobicContact CD1-CE 3.67Å; M51-M66 HydrophobicContact SD-CE 3.92Å; C59-M66 HydrophobicContact CB-CE 4.29Å; C59-M66 HydrophobicContact CB-CG 4.04Å; C59-M66 HydrophobicContact CB-SD 3.58Å; C59-M66 VanDerWaalsContact CB-SD 3.58Å; C59-M66 WeakPolarHBondContact SG-CG 3.04Å; L63-M66 WeakPolarHBondContact O-CB 3.13Å; L63-M66 PolarHBondContact O-N 3.25Å; L63-M66 VanDerWaalsContact O-N 3.14Å; E64-M66 PolarHBondContact O-N 2.76Å; M66-T68 VanDerWaalsContact C-N 3.33Å; M66-I69 HydrophobicContact CE-CB 4.46Å; M66-I69 HydrophobicContact CE-CG2 4.4Å; M66-I69 PolarHBondContact O-N 3.32Å; M66-I69 HydrophobicContact SD-CD1 3.92Å; M66-I70 WeakPolarHBondContact O-CD1 3.35Å; M66-I70 VanDerWaalsContact O-CG1 3.26Å; M66-I70 WeakPolarHBondContact O-CG1 3.24Å; M66-I70 PolarHBondContact O-N 3.37Å; M66-F174 HydrophobicContact CE-CE2 4.45Å; M66-F174 HydrophobicContact SD-CE2 4.34Å
67	Q	93.8	Very high	95.7	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.318	19%	0.189	S	C	.	.	H	α-helix	trans	-65.1	-41.6	174.3	-66.4	-59.9	-14.5	0	0	111	R37 L65 I69 I70 Q71	R37-Q67 PolarHBondContact O-NE2 3.13Å; L65-Q67 VanDerWaalsContact C-N 3.34Å; L65-Q67 PolarHBondContact O-N 2.74Å; Q67-I69 VanDerWaalsContact C-N 3.35Å; Q67-I69 PolarHBondContact O-N 2.53Å; Q67-I70 PolarHBondContact O-N 2.9Å; Q67-Q71 PolarHBondContact O-N 3.34Å
68	T	96.2	Very high	95.8	Very high	16 Å²	16	37 Å²	37	10%	0.098	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-41.9	173.7	-46.4	0	0	0	0	111.7	L65 M66 Q71 A72 T128 I129 A132	L65-T68 WeakPolarHBondContact O-CB 3.49Å; L65-T68 PolarHBondContact O-N 2.68Å; M66-T68 VanDerWaalsContact C-N 3.33Å; T68-Q71 PolarHBondContact O-N 2.75Å; T68-A72 PolarHBondContact O-N 3.28Å; T68-T128 HydrophobicContact CG2-CG2 3.82Å; T68-I129 HydrophobicContact CG2-CG1 3.95Å; T68-A132 HydrophobicContact CG2-CB 3.7Å
69	I	96.8	Very high	96	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-40.4	177.2	-67.2	173.1	0	0	0	111.9	W27 L30 L65 M66 Q67 Q71 A72 A73 I125 F174	W27-I69 HydrophobicContact CE3-CG2 4.12Å; W27-I69 HydrophobicContact CZ3-CG2 4.18Å; L30-I69 HydrophobicContact CD1-CG2 3.7Å; L65-I69 HydrophobicContact CD2-CD1 3.9Å; L65-I69 HydrophobicContact CG-CD1 3.79Å; L65-I69 HydrophobicContact CG-CG1 4.09Å; L65-I69 PolarHBondContact O-N 3.26Å; M66-I69 HydrophobicContact CE-CB 4.46Å; M66-I69 HydrophobicContact CE-CG2 4.4Å; M66-I69 PolarHBondContact O-N 3.32Å; M66-I69 HydrophobicContact SD-CD1 3.92Å; Q67-I69 VanDerWaalsContact C-N 3.35Å; Q67-I69 PolarHBondContact O-N 2.53Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 2.95Å; I69-A72 WeakPolarHBondContact O-CB 3.19Å; I69-A72 PolarHBondContact O-N 2.56Å; I69-A73 PolarHBondContact O-N 3.41Å; I69-I125 HydrophobicContact CG1-CD1 4.23Å; I69-I125 HydrophobicContact CG2-CD1 4.35Å; I69-F174 HydrophobicContact CD1-CB 4.43Å; I69-F174 HydrophobicContact CD1-CD1 4.22Å; I69-F174 HydrophobicContact CD1-CD2 3.69Å; I69-F174 HydrophobicContact CD1-CE1 4.42Å; I69-F174 HydrophobicContact CD1-CE2 3.91Å; I69-F174 HydrophobicContact CD1-CG 3.85Å; I69-F174 HydrophobicContact CD1-CZ 4.28Å; I69-F174 HydrophobicContact CG2-CD1 4.11Å; I69-F174 HydrophobicContact CG2-CE1 3.58Å; I69-F174 HydrophobicContact CG2-CE2 4.45Å; I69-F174 HydrophobicContact CG2-CZ 3.78Å
70	I	95.9	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-43.3	174.5	-71.1	162	0	0	0	109.9	L30 T33 V39 L48 M66 Q67 A73 R74	L30-I70 HydrophobicContact CB-CG1 4.19Å; T33-I70 HydrophobicContact CG2-CD1 3.97Å; V39-I70 HydrophobicContact CG2-CD1 4.19Å; L48-I70 HydrophobicContact CD2-CD1 4.37Å; M66-I70 WeakPolarHBondContact O-CD1 3.35Å; M66-I70 VanDerWaalsContact O-CG1 3.26Å; M66-I70 WeakPolarHBondContact O-CG1 3.24Å; M66-I70 PolarHBondContact O-N 3.37Å; Q67-I70 PolarHBondContact O-N 2.9Å; I70-A73 WeakPolarHBondContact O-CB 3.47Å; I70-A73 PolarHBondContact O-N 2.99Å; I70-R74 PolarHBondContact O-N 3.01Å
71	Q	96.4	Very high	96.2	Very high	70 Å²	70	33.9 Å²	33.9	33%	0.327	17%	0.168	S	C	.	.	H	α-helix	trans	-64.1	-42.6	176.3	-174	56.6	24.4	0	0	111.9	Q67 T68 I69 A73 R74 E75	Q67-Q71 PolarHBondContact O-N 3.34Å; T68-Q71 PolarHBondContact O-N 2.75Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 2.95Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 3.25Å; Q71-R74 WeakPolarHBondContact O-CB 3.29Å; Q71-R74 PolarHBondContact O-N 3.15Å; Q71-R74 VanDerWaalsContact O-N 3.1Å; Q71-E75 PolarHBondContact NE2-OE1 2.83Å; Q71-E75 PolarHBondContact O-N 3.07Å
72	A	97.9	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-42.7	174.6	0	0	0	0	0	111.8	W27 T68 I69 R74 E75 V76 I125 T128	W27-A72 HydrophobicContact CH2-CB 4.48Å; T68-A72 PolarHBondContact O-N 3.28Å; I69-A72 WeakPolarHBondContact O-CB 3.19Å; I69-A72 PolarHBondContact O-N 2.56Å; A72-R74 VanDerWaalsContact C-N 3.28Å; A72-R74 PolarHBondContact O-N 3.03Å; A72-E75 PolarHBondContact O-N 2.84Å; A72-V76 WeakPolarHBondContact O-CG2 3.27Å; A72-V76 PolarHBondContact O-N 3.02Å; A72-I125 HydrophobicContact CB-CB 4.29Å; A72-I125 HydrophobicContact CB-CG1 4.27Å; A72-T128 HydrophobicContact CB-CG2 4.23Å
73	A	97	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-37.9	176.7	0	0	0	0	0	112.5	W27 L28 L30 I69 I70 Q71 K77	W27-A73 HydrophobicContact CE3-CB 4.03Å; W27-A73 HydrophobicContact CZ3-CB 3.66Å; L28-A73 HydrophobicContact CD2-CB 4.41Å; L30-A73 HydrophobicContact CB-CB 4.1Å; I69-A73 PolarHBondContact O-N 3.41Å; I70-A73 WeakPolarHBondContact O-CB 3.47Å; I70-A73 PolarHBondContact O-N 2.99Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 3.25Å; A73-K77 PolarHBondContact O-N 2.85Å
74	R	96.5	Very high	96.6	Very high	61 Å²	61	33.8 Å²	33.8	23%	0.23	15%	0.154	C	C	.	.	H	α-helix	trans	-69.4	-44.4	175.9	-64.4	-179.9	-171.3	134.7	-1.8	111.6	T33 I70 Q71 A72 V76 K77 K78	T33-R74 PolarHBondContact O-NH2 2.92Å; I70-R74 PolarHBondContact O-N 3.01Å; Q71-R74 WeakPolarHBondContact O-CB 3.29Å; Q71-R74 PolarHBondContact O-N 3.15Å; Q71-R74 VanDerWaalsContact O-N 3.1Å; A72-R74 VanDerWaalsContact C-N 3.28Å; A72-R74 PolarHBondContact O-N 3.03Å; R74-V76 VanDerWaalsContact C-N 3.32Å; R74-V76 PolarHBondContact O-N 3.44Å; R74-K77 PolarHBondContact O-N 3.16Å; R74-K78 WeakPolarHBondContact O-CB 3.33Å; R74-K78 PolarHBondContact O-N 3.02Å
75	E	98	Very high	96.8	Very high	40 Å²	40	31.6 Å²	31.6	19%	0.187	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-34.4	178.6	-70.9	-55.1	140.1	0	0	112.2	Q71 A72 K78 T79 T124 L233	Q71-E75 PolarHBondContact NE2-OE1 2.83Å; Q71-E75 PolarHBondContact O-N 3.07Å; A72-E75 PolarHBondContact O-N 2.84Å; E75-K78 IonicContact OE1-NZ 3.96Å; E75-K78 PolarHBondContact OE1-NZ 2.93Å; E75-K78 IonicContact OE2-NZ 3.35Å; E75-K78 PolarHBondContact OE2-NZ 2.87Å; E75-T79 WeakPolarHBondContact O-CB 3.42Å; E75-T79 PolarHBondContact O-N 2.81Å; E75-T79 PolarHBondContact O-OG1 2.93Å; E75-T124 HydrophobicContact CB-CG2 3.93Å; E75-L233 HydrophobicContact CB-CD2 4.02Å
76	V	98.3	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-52.3	172.1	171.5	0	0	0	0	110.9	W27 L28 A72 R74 T79 C80 I94 L120 T124	W27-V76 HydrophobicContact CH2-CG2 4.43Å; L28-V76 HydrophobicContact CD1-CG1 3.95Å; L28-V76 HydrophobicContact CD2-CB 3.83Å; L28-V76 HydrophobicContact CD2-CG1 3.73Å; L28-V76 HydrophobicContact CD2-CG2 4Å; A72-V76 WeakPolarHBondContact O-CG2 3.27Å; A72-V76 PolarHBondContact O-N 3.02Å; R74-V76 VanDerWaalsContact C-N 3.32Å; R74-V76 PolarHBondContact O-N 3.44Å; V76-T79 PolarHBondContact O-N 2.8Å; V76-C80 VanDerWaalsContact O-CB 3.23Å; V76-C80 WeakPolarHBondContact O-CB 3.37Å; V76-C80 PolarHBondContact O-N 2.67Å; V76-I94 HydrophobicContact CG1-CD1 3.8Å; V76-L120 HydrophobicContact CG1-CD2 4.45Å; V76-T124 VanDerWaalsContact CG2-CB 3.46Å; V76-T124 HydrophobicContact CG2-CG2 3.64Å
77	K	96.4	Very high	96.8	Very high	20 Å²	20	35.3 Å²	35.3	9%	0.087	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-53.5	-178.9	-71.2	-169.4	165.2	178.8	0	111.5	S31 H32 A73 R74 T79 C80 Q81 I94	S31-K77 WeakPolarHBondContact OG-CD 3.42Å; S31-K77 WeakPolarHBondContact OG-CE 3.31Å; S31-K77 PolarHBondContact OG-NZ 2.97Å; H32-K77 PolarHBondContact CE1-NZ 2.62Å; H32-K77 PolarHBondContact NE2-NZ 2.89Å; H32-K77 VanDerWaalsContact NE2-NZ 3.12Å; A73-K77 PolarHBondContact O-N 2.85Å; R74-K77 PolarHBondContact O-N 3.16Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 2.76Å; K77-C80 PolarHBondContact O-N 3.33Å; K77-Q81 WeakPolarHBondContact O-CB 3.13Å; K77-Q81 WeakPolarHBondContact O-CG 3.41Å; K77-Q81 PolarHBondContact O-N 3.44Å; K77-I94 HydrophobicContact CB-CG2 4.26Å; K77-I94 WeakPolarHBondContact CE-O 3.37Å; K77-I94 HydrophobicContact CG-CG1 4.42Å; K77-I94 HydrophobicContact CG-CG2 4Å
78	K	97.5	Very high	97	Very high	88 Å²	88	36.2 Å²	36.2	38%	0.383	17%	0.174	S	C	.	.	H	α-helix	trans	-58.6	-45.3	-179.4	174.6	-178.9	158.7	-146.2	0	111.7	R74 E75 K82	R74-K78 WeakPolarHBondContact O-CB 3.33Å; R74-K78 PolarHBondContact O-N 3.02Å; E75-K78 IonicContact OE1-NZ 3.96Å; E75-K78 PolarHBondContact OE1-NZ 2.93Å; E75-K78 IonicContact OE2-NZ 3.35Å; E75-K78 PolarHBondContact OE2-NZ 2.87Å; K78-K82 HydrophobicContact CG-CD 4.38Å; K78-K82 WeakPolarHBondContact O-CB 3.32Å; K78-K82 VanDerWaalsContact O-CG 3.26Å; K78-K82 WeakPolarHBondContact O-CG 3.49Å; K78-K82 PolarHBondContact O-N 3.45Å; K78-K82 VanDerWaalsContact O-N 3.08Å
79	T	98.4	Very high	97	Very high	13 Å²	13	35.8 Å²	35.8	8%	0.08	17%	0.171	C	C	.	.	H	α-helix	trans	-69.8	-42.1	-178.9	-58.3	0	0	0	0	111.1	E75 V76 K77 K82 T83 L120 L233 A237	E75-T79 WeakPolarHBondContact O-CB 3.42Å; E75-T79 PolarHBondContact O-N 2.81Å; E75-T79 PolarHBondContact O-OG1 2.93Å; V76-T79 PolarHBondContact O-N 2.8Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 2.76Å; T79-K82 PolarHBondContact O-N 3.13Å; T79-T83 VanDerWaalsContact O-CB 3.26Å; T79-T83 WeakPolarHBondContact O-CB 3.31Å; T79-T83 PolarHBondContact O-N 3.07Å; T79-T83 PolarHBondContact O-OG1 3.41Å; T79-L120 HydrophobicContact CG2-CD1 4.09Å; T79-L120 HydrophobicContact CG2-CD2 4.31Å; T79-L233 HydrophobicContact CG2-CD2 4.42Å; T79-L233 HydrophobicContact CG2-CG 4.22Å; T79-L233 WeakPolarHBondContact OG1-CD2 3.48Å; T79-A237 HydrophobicContact CG2-CB 3.39Å
80	C	98.3	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-49.8	178.2	-165.6	0	0	0	0	111.9	V76 K77 K82 T83 F84 C91 I94 F116 L120	V76-C80 VanDerWaalsContact O-CB 3.23Å; V76-C80 WeakPolarHBondContact O-CB 3.37Å; V76-C80 PolarHBondContact O-N 2.67Å; K77-C80 PolarHBondContact O-N 3.33Å; C80-K82 VanDerWaalsContact C-N 3.34Å; C80-K82 PolarHBondContact O-N 2.56Å; C80-T83 PolarHBondContact O-N 3.42Å; C80-F84 PolarHBondContact O-N 3.16Å; C80-F84 VanDerWaalsContact O-N 3.1Å; C80-C91 HydrophobicContact CB-CB 3.89Å; C80-C91 WeakPolarHBondContact CB-SG 3.33Å; C80-C91 WeakPolarHBondContact SG-CB 3.31Å; C80-C91 CovalentContact SG-SG 2.01Å; C80-C91 PolarHBondContact SG-SG 2.78Å; C80-I94 HydrophobicContact CB-CD1 4.06Å; C80-F116 HydrophobicContact CB-CE1 4.42Å; C80-L120 HydrophobicContact CB-CD2 3.73Å
81	Q	97.3	Very high	96.9	Very high	58 Å²	58	37.8 Å²	37.8	27%	0.271	18%	0.182	S	C	.	.	H	α-helix	trans	-60.8	-42.3	178.4	-71.7	171.8	-30	0	0	112.1	K77 A85 C91 E95	K77-Q81 WeakPolarHBondContact O-CB 3.13Å; K77-Q81 WeakPolarHBondContact O-CG 3.41Å; K77-Q81 PolarHBondContact O-N 3.44Å; Q81-A85 WeakPolarHBondContact O-CB 3.48Å; Q81-A85 PolarHBondContact O-N 3.08Å; Q81-C91 HydrophobicContact CG-CB 4.46Å; Q81-E95 PolarHBondContact NE2-OE1 3.45Å
82	K	97.5	Very high	96.6	Very high	146 Å²	146	35.9 Å²	35.9	64%	0.635	18%	0.176	S	C	*	.	H	α-helix	trans	-65.2	-41.7	175.4	-75.6	-177.3	178.5	-165.5	0	112.7	K78 T79 C80 F84	K78-K82 HydrophobicContact CG-CD 4.38Å; K78-K82 WeakPolarHBondContact O-CB 3.32Å; K78-K82 VanDerWaalsContact O-CG 3.26Å; K78-K82 WeakPolarHBondContact O-CG 3.49Å; K78-K82 PolarHBondContact O-N 3.45Å; K78-K82 VanDerWaalsContact O-N 3.08Å; T79-K82 PolarHBondContact O-N 3.13Å; C80-K82 VanDerWaalsContact C-N 3.34Å; C80-K82 PolarHBondContact O-N 2.56Å; K82-F84 PolarHBondContact O-N 3.39Å
83	T	98.1	Very high	96.3	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-31	-177.4	-58.4	0	0	0	0	111.8	T79 C80 F116 A237 M238 K241	T79-T83 VanDerWaalsContact O-CB 3.26Å; T79-T83 WeakPolarHBondContact O-CB 3.31Å; T79-T83 PolarHBondContact O-N 3.07Å; T79-T83 PolarHBondContact O-OG1 3.41Å; C80-T83 PolarHBondContact O-N 3.42Å; T83-F116 HydrophobicContact CG2-CE2 4.44Å; T83-F116 HydrophobicContact CG2-CZ 3.99Å; T83-A237 HydrophobicContact CG2-CB 4.46Å; T83-A237 WeakPolarHBondContact OG1-CB 3.44Å; T83-M238 HydrophobicContact CG2-SD 4.39Å; T83-K241 HydrophobicContact CG2-CB 3.86Å; T83-K241 HydrophobicContact CG2-CD 3.8Å; T83-K241 HydrophobicContact CG2-CG 4.12Å; T83-K241 WeakPolarHBondContact O-CE 3.47Å; T83-K241 PolarHBondContact O-NZ 3.19Å
84	F	97.4	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	10.6	-176.3	-77.9	-91.9	0	0	0	114.2	C80 K82 D86 M87 W89 N90 C91 F116 K241 Y244	C80-F84 PolarHBondContact O-N 3.16Å; C80-F84 VanDerWaalsContact O-N 3.1Å; K82-F84 PolarHBondContact O-N 3.39Å; F84-D86 PolarHBondContact O-N 3.09Å; F84-D86 VanDerWaalsContact O-N 3.07Å; F84-M87 HydrophobicContact CD1-CB 4.09Å; F84-M87 HydrophobicContact CD1-CG 4.08Å; F84-M87 HydrophobicContact CD1-SD 3.52Å; F84-M87 VanDerWaalsContact CD1-SD 3.52Å; F84-M87 HydrophobicContact CE1-SD 3.54Å; F84-M87 VanDerWaalsContact CE1-SD 3.54Å; F84-M87 PolarHBondContact O-N 2.7Å; F84-W89 HydrophobicContact CB-CE3 4.16Å; F84-W89 HydrophobicContact CB-CZ3 4.23Å; F84-W89 WeakPolarHBondContact CB-O 3.3Å; F84-W89 AromaticContact CD1-CE3 3.43Å; F84-W89 HydrophobicContact CD1-CE3 3.43Å; F84-W89 VanDerWaalsContact CD1-CE3 3.43Å; F84-W89 AromaticContact CD1-CZ3 3.6Å; F84-W89 HydrophobicContact CD1-CZ3 3.6Å; F84-W89 HydrophobicContact CD2-CE3 4.33Å; F84-W89 AromaticContact CD2-CZ3 3.69Å; F84-W89 HydrophobicContact CD2-CZ3 3.69Å; F84-W89 AromaticContact CE1-CE3 3.82Å; F84-W89 HydrophobicContact CE1-CE3 3.82Å; F84-W89 AromaticContact CE1-CZ3 3.78Å; F84-W89 HydrophobicContact CE1-CZ3 3.78Å; F84-W89 AromaticContact CE2-CZ3 3.9Å; F84-W89 HydrophobicContact CE2-CZ3 3.9Å; F84-W89 AromaticContact CG-CE3 3.71Å; F84-W89 HydrophobicContact CG-CE3 3.71Å; F84-W89 AromaticContact CG-CZ3 3.55Å; F84-W89 HydrophobicContact CG-CZ3 3.55Å; F84-W89 HydrophobicContact CZ-CE3 4.43Å; F84-W89 AromaticContact CZ-CZ3 3.93Å; F84-W89 HydrophobicContact CZ-CZ3 3.93Å; F84-N90 WeakPolarHBondContact O-CA 3.4Å; F84-C91 HydrophobicContact CB-CB 4.42Å; F84-F116 HydrophobicContact CD2-CD1 4.31Å; F84-F116 AromaticContact CD2-CE1 3.99Å; F84-F116 HydrophobicContact CD2-CE1 3.99Å; F84-F116 HydrophobicContact CD2-CZ 4.3Å; F84-F116 AromaticContact CE2-CD1 3.49Å; F84-F116 HydrophobicContact CE2-CD1 3.49Å; F84-F116 VanDerWaalsContact CE2-CD1 3.49Å; F84-F116 AromaticContact CE2-CD2 3.87Å; F84-F116 HydrophobicContact CE2-CD2 3.87Å; F84-F116 AromaticContact CE2-CE1 3.39Å; F84-F116 HydrophobicContact CE2-CE1 3.39Å; F84-F116 AromaticContact CE2-CE2 3.76Å; F84-F116 HydrophobicContact CE2-CE2 3.76Å; F84-F116 AromaticContact CE2-CG 3.76Å; F84-F116 HydrophobicContact CE2-CG 3.76Å; F84-F116 AromaticContact CE2-CZ 3.54Å; F84-F116 HydrophobicContact CE2-CZ 3.54Å; F84-F116 HydrophobicContact CZ-CD1 4.12Å; F84-F116 HydrophobicContact CZ-CD2 4.07Å; F84-F116 HydrophobicContact CZ-CE1 4.39Å; F84-F116 HydrophobicContact CZ-CE2 4.32Å; F84-F116 AromaticContact CZ-CG 3.97Å; F84-F116 HydrophobicContact CZ-CG 3.97Å; F84-F116 HydrophobicContact CZ-CZ 4.5Å; F84-K241 HydrophobicContact CZ-CG 4.25Å; F84-Y244 AromaticContact CE1-CD1 3.8Å; F84-Y244 HydrophobicContact CE1-CD1 3.8Å; F84-Y244 HydrophobicContact CE1-CD2 4.43Å; F84-Y244 AromaticContact CE1-CE1 3.55Å; F84-Y244 HydrophobicContact CE1-CE1 3.55Å; F84-Y244 HydrophobicContact CE1-CE2 4.19Å; F84-Y244 HydrophobicContact CE1-CG 4.27Å; F84-Y244 AromaticContact CE1-CZ 3.77Å; F84-Y244 AromaticContact CZ-CD1 3.78Å; F84-Y244 HydrophobicContact CZ-CD1 3.78Å; F84-Y244 HydrophobicContact CZ-CD2 4.09Å; F84-Y244 HydrophobicContact CZ-CE1 4Å; F84-Y244 HydrophobicContact CZ-CE2 4.27Å; F84-Y244 AromaticContact CZ-CG 3.86Å; F84-Y244 HydrophobicContact CZ-CG 3.86Å
85	A	95.7	Very high	95.4	Very high	61 Å²	61	38.4 Å²	38.4	50%	0.504	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.7	-179.4	0	0	0	0	0	113.2	Q81 R300	Q81-A85 WeakPolarHBondContact O-CB 3.48Å; Q81-A85 PolarHBondContact O-N 3.08Å; A85-R300 PolarHBondContact O-NH2 2.97Å
86	D	94.3	Very high	94.6	Very high	55 Å²	55	36.9 Å²	36.9	29%	0.294	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.1	178.9	64.3	-17.3	0	0	0	114.1	F84 K241 S309 D310 M315	F84-D86 PolarHBondContact O-N 3.09Å; F84-D86 VanDerWaalsContact O-N 3.07Å; D86-K241 IonicContact OD1-NZ 2.82Å; D86-K241 PolarHBondContact OD1-NZ 3.08Å; D86-K241 IonicContact OD2-NZ 3.28Å; D86-K241 PolarHBondContact OD2-NZ 3.04Å; D86-S309 CarbonylContact O-C 3.58Å; D86-S309 WeakPolarHBondContact O-CB 3.42Å; D86-S309 PolarHBondContact O-OG 2.84Å; D86-D310 HydrophobicContact CB-CB 3.99Å; D86-D310 PolarHBondContact O-N 3.47Å; D86-D310 VanDerWaalsContact O-N 3.16Å; D86-M315 VanDerWaalsContact C-CE 3.49Å; D86-M315 VanDerWaalsContact O-CE 3.27Å; D86-M315 WeakPolarHBondContact O-CE 3.42Å
87	M	95.9	Very high	93.6	Very high	35 Å²	35	41 Å²	41	17%	0.172	21%	0.211	C	C	.	.	S	Bend	trans	-115.1	155.4	179.9	-63.7	-162.4	77.6	0	0	111.5	F84 W89 Y244 L245 R300	F84-M87 HydrophobicContact CD1-CB 4.09Å; F84-M87 HydrophobicContact CD1-CG 4.08Å; F84-M87 HydrophobicContact CD1-SD 3.52Å; F84-M87 VanDerWaalsContact CD1-SD 3.52Å; F84-M87 HydrophobicContact CE1-SD 3.54Å; F84-M87 VanDerWaalsContact CE1-SD 3.54Å; F84-M87 PolarHBondContact O-N 2.7Å; M87-W89 VanDerWaalsContact C-N 3.29Å; M87-W89 WeakPolarHBondContact CB-O 3.35Å; M87-W89 CarbonylContact O-C 3.6Å; M87-W89 PolarHBondContact O-N 3.01Å; M87-Y244 HydrophobicContact CE-CE1 4.23Å; M87-Y244 HydrophobicContact SD-CE1 4.21Å; M87-L245 HydrophobicContact CE-CD2 4.09Å; M87-R300 VanDerWaalsContact O-CZ 3.25Å; M87-R300 PolarHBondContact O-NH1 3.08Å; M87-R300 PolarHBondContact O-NH2 3.17Å
88	R	96.6	Very high	92.4	Very high	86 Å²	86	44.4 Å²	44.4	33%	0.325	23%	0.233	S	C	.	.	S	Bend	trans	-55.8	-42.2	178	-60.7	179.6	-176.8	155.6	0.8	112.6	F285 T297 R300 L314 C317	R88-F285 HydrophobicContact CB-CB 3.83Å; R88-T297 HydrophobicContact CB-CG2 3.86Å; R88-T297 HydrophobicContact CG-CG2 3.99Å; R88-R300 VanDerWaalsContact C-NH1 3.33Å; R88-R300 PolarHBondContact O-NH1 2.9Å; R88-L314 PolarHBondContact NE-O 3.31Å; R88-L314 PolarHBondContact NH2-O 2.91Å; R88-C317 PolarHBondContact NE-SG 3.36Å; R88-C317 VanDerWaalsContact NE-SG 3.43Å
89	W	96.4	Very high	91.2	Very high	7 Å²	7	47.6 Å²	47.6	3%	0.027	25%	0.254	C	S	.	.	S	Bend	trans	-84.6	113.3	163	-179.6	83.4	0	0	0	108.6	F84 M87 C91 D106 L107 E113 V117 F285	F84-W89 HydrophobicContact CB-CE3 4.16Å; F84-W89 HydrophobicContact CB-CZ3 4.23Å; F84-W89 WeakPolarHBondContact CB-O 3.3Å; F84-W89 AromaticContact CD1-CE3 3.43Å; F84-W89 HydrophobicContact CD1-CE3 3.43Å; F84-W89 VanDerWaalsContact CD1-CE3 3.43Å; F84-W89 AromaticContact CD1-CZ3 3.6Å; F84-W89 HydrophobicContact CD1-CZ3 3.6Å; F84-W89 HydrophobicContact CD2-CE3 4.33Å; F84-W89 AromaticContact CD2-CZ3 3.69Å; F84-W89 HydrophobicContact CD2-CZ3 3.69Å; F84-W89 AromaticContact CE1-CE3 3.82Å; F84-W89 HydrophobicContact CE1-CE3 3.82Å; F84-W89 AromaticContact CE1-CZ3 3.78Å; F84-W89 HydrophobicContact CE1-CZ3 3.78Å; F84-W89 AromaticContact CE2-CZ3 3.9Å; F84-W89 HydrophobicContact CE2-CZ3 3.9Å; F84-W89 AromaticContact CG-CE3 3.71Å; F84-W89 HydrophobicContact CG-CE3 3.71Å; F84-W89 AromaticContact CG-CZ3 3.55Å; F84-W89 HydrophobicContact CG-CZ3 3.55Å; F84-W89 HydrophobicContact CZ-CE3 4.43Å; F84-W89 AromaticContact CZ-CZ3 3.93Å; F84-W89 HydrophobicContact CZ-CZ3 3.93Å; M87-W89 VanDerWaalsContact C-N 3.29Å; M87-W89 WeakPolarHBondContact CB-O 3.35Å; M87-W89 CarbonylContact O-C 3.6Å; M87-W89 PolarHBondContact O-N 3.01Å; W89-C91 HydrophobicContact CE3-CB 4.35Å; W89-C91 HydrophobicContact CH2-CB 3.53Å; W89-C91 WeakPolarHBondContact CH2-SG 3.41Å; W89-C91 HydrophobicContact CZ2-CB 3.82Å; W89-C91 HydrophobicContact CZ3-CB 3.82Å; W89-D106 PolarHBondContact NE1-OD2 3.2Å; W89-L107 HydrophobicContact CZ2-CD2 4.07Å; W89-E113 HydrophobicContact CB-CG 4.37Å; W89-E113 HydrophobicContact CD2-CB 4.04Å; W89-E113 HydrophobicContact CD2-CG 3.37Å; W89-E113 VanDerWaalsContact CE2-CG 3.48Å; W89-E113 HydrophobicContact CE3-CB 4.39Å; W89-E113 HydrophobicContact CE3-CG 3.79Å; W89-E113 HydrophobicContact CG-CG 3.64Å; W89-E113 HydrophobicContact CH2-CB 4.04Å; W89-E113 HydrophobicContact CH2-CG 4.34Å; W89-E113 HydrophobicContact CZ2-CB 3.66Å; W89-E113 HydrophobicContact CZ2-CG 3.99Å; W89-E113 HydrophobicContact CZ3-CB 4.38Å; W89-E113 HydrophobicContact CZ3-CG 4.25Å; W89-V117 HydrophobicContact CH2-CG2 3.92Å; W89-V117 HydrophobicContact CZ2-CG2 4.26Å; W89-F285 HydrophobicContact CB-CD1 4.12Å; W89-F285 HydrophobicContact CB-CD2 3.8Å; W89-F285 HydrophobicContact CB-CE1 4.15Å; W89-F285 HydrophobicContact CB-CE2 3.79Å; W89-F285 HydrophobicContact CB-CG 3.95Å; W89-F285 HydrophobicContact CB-CZ 3.97Å; W89-F285 AromaticContact CD1-CE1 3.47Å; W89-F285 VanDerWaalsContact CD1-CE1 3.47Å; W89-F285 AromaticContact CD1-CZ 3.65Å; W89-F285 HydrophobicContact CG-CD1 4.49Å; W89-F285 HydrophobicContact CG-CE1 4.12Å; W89-F285 HydrophobicContact CG-CE2 4.27Å; W89-F285 AromaticContact CG-CZ 3.99Å; W89-F285 HydrophobicContact CG-CZ 3.99Å
90	N	95.1	Very high	90.2	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.23	27%	0.265	C	S	.	.			trans	-102.9	18.5	-176.1	67	-5.7	0	0	0	113.3	F84 S92	F84-N90 WeakPolarHBondContact O-CA 3.4Å; N90-S92 PolarHBondContact O-N 3.06Å; N90-S92 WeakPolarHBondContact OD1-CB 3.36Å; N90-S92 PolarHBondContact OD1-N 2.98Å; N90-S92 PolarHBondContact OD1-OG 2.78Å; N90-S92 VanDerWaalsContact OD1-OG 3.08Å
91	C	95.5	Very high	89.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	60.5	18	-174.4	-160.2	0	0	0	0	115.7	C80 Q81 F84 W89 S93 I94	C80-C91 HydrophobicContact CB-CB 3.89Å; C80-C91 WeakPolarHBondContact CB-SG 3.33Å; C80-C91 WeakPolarHBondContact SG-CB 3.31Å; C80-C91 CovalentContact SG-SG 2.01Å; C80-C91 PolarHBondContact SG-SG 2.78Å; Q81-C91 HydrophobicContact CG-CB 4.46Å; F84-C91 HydrophobicContact CB-CB 4.42Å; W89-C91 HydrophobicContact CE3-CB 4.35Å; W89-C91 HydrophobicContact CH2-CB 3.53Å; W89-C91 WeakPolarHBondContact CH2-SG 3.41Å; W89-C91 HydrophobicContact CZ2-CB 3.82Å; W89-C91 HydrophobicContact CZ3-CB 3.82Å; C91-S93 PolarHBondContact O-N 3.45Å; C91-I94 WeakPolarHBondContact O-CB 3.36Å; C91-I94 WeakPolarHBondContact O-CG2 3.42Å; C91-I94 PolarHBondContact O-N 3.06Å
92	S	91.4	Very high	88.4	Confident	30 Å²	30	53.7 Å²	53.7	21%	0.21	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59.9	-31.5	176.8	61.8	0	0	0	0	113.3	N90 I94 E95 V295	N90-S92 PolarHBondContact O-N 3.06Å; N90-S92 WeakPolarHBondContact OD1-CB 3.36Å; N90-S92 PolarHBondContact OD1-N 2.98Å; N90-S92 PolarHBondContact OD1-OG 2.78Å; N90-S92 VanDerWaalsContact OD1-OG 3.08Å; S92-I94 PolarHBondContact O-N 2.9Å; S92-E95 WeakPolarHBondContact O-CB 3.47Å; S92-E95 PolarHBondContact O-N 3.44Å; S92-V295 WeakPolarHBondContact OG-CG1 3.2Å
93	S	89.6	Confident	88	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.042	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.3	-13.1	179.8	-58.6	0	0	0	0	114.4	C91 E95 D106 G293	C91-S93 PolarHBondContact O-N 3.45Å; S93-E95 PolarHBondContact O-N 2.91Å; S93-D106 WeakPolarHBondContact CB-OD2 3.15Å; S93-D106 PolarHBondContact OG-OD1 2.72Å; S93-D106 PolarHBondContact OG-OD2 3.32Å; S93-G293 PolarHBondContact OG-O 3.28Å
94	I	89.9	Confident	87.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-70	-18.5	174.4	-153	166.5	0	0	0	112.4	L28 V76 K77 C80 C91 S92 I96 V117	L28-I94 HydrophobicContact CD1-CD1 3.85Å; L28-I94 HydrophobicContact CD1-CG1 3.79Å; V76-I94 HydrophobicContact CG1-CD1 3.8Å; K77-I94 HydrophobicContact CB-CG2 4.26Å; K77-I94 WeakPolarHBondContact CE-O 3.37Å; K77-I94 HydrophobicContact CG-CG1 4.42Å; K77-I94 HydrophobicContact CG-CG2 4Å; C80-I94 HydrophobicContact CB-CD1 4.06Å; C91-I94 WeakPolarHBondContact O-CB 3.36Å; C91-I94 WeakPolarHBondContact O-CG2 3.42Å; C91-I94 PolarHBondContact O-N 3.06Å; S92-I94 PolarHBondContact O-N 2.9Å; I94-I96 VanDerWaalsContact C-N 3.26Å; I94-I96 PolarHBondContact O-N 3.48Å; I94-V117 HydrophobicContact CD1-CG1 3.75Å; I94-V117 HydrophobicContact CD1-CG2 4.19Å; I94-V117 HydrophobicContact CG1-CG1 4.29Å
95	E	86.5	Confident	87.1	Confident	109 Å²	109	52.1 Å²	52.1	51%	0.509	29%	0.286	S	S	.	.			trans	-76.2	80.2	171	-63.4	-174.2	174	0	0	109.6	Q81 S92 S93 P97	Q81-E95 PolarHBondContact NE2-OE1 3.45Å; S92-E95 WeakPolarHBondContact O-CB 3.47Å; S92-E95 PolarHBondContact O-N 3.44Å; S93-E95 PolarHBondContact O-N 2.91Å; E95-P97 WeakPolarHBondContact O-CD 3.22Å
96	I	79.4	Confident	86.9	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.041	26%	0.262	C	S	.	.			trans	-69.3	123.2	171.5	-169.9	165	0	0	0	109.6	A29 H32 I94 A100 Y103	A29-I96 HydrophobicContact CB-CG2 3.81Å; H32-I96 PolarHBondContact CE1-O 3.1Å; I94-I96 VanDerWaalsContact C-N 3.26Å; I94-I96 PolarHBondContact O-N 3.48Å; I96-A100 HydrophobicContact CD1-CB 4.39Å; I96-A100 HydrophobicContact CG1-CB 3.78Å; I96-Y103 HydrophobicContact CB-CD1 4.07Å; I96-Y103 HydrophobicContact CB-CE1 3.57Å; I96-Y103 HydrophobicContact CD1-CD1 4.29Å; I96-Y103 HydrophobicContact CD1-CD2 4.11Å; I96-Y103 HydrophobicContact CD1-CE1 4.16Å; I96-Y103 HydrophobicContact CD1-CE2 3.96Å; I96-Y103 HydrophobicContact CD1-CG 4.27Å; I96-Y103 HydrophobicContact CG1-CE1 4.34Å; I96-Y103 HydrophobicContact CG2-CE1 4.03Å
97	P	77.6	Confident	86.8	Confident	87 Å²	87	46.7 Å²	46.7	57%	0.565	25%	0.249	S	C	*	.			trans	-57.5	145	171.7	-23.3	33	0	0	0	110.6	E95 N99 A100	E95-P97 WeakPolarHBondContact O-CD 3.22Å; P97-N99 PolarHBondContact O-N 3.17Å; P97-A100 HydrophobicContact CB-CB 4.03Å; P97-A100 HydrophobicContact CG-CB 4.15Å; P97-A100 WeakPolarHBondContact O-CB 3.27Å; P97-A100 PolarHBondContact O-N 3.2Å
98	V	71.8	Confident	86.4	Confident	91 Å²	91	47.1 Å²	47.1	55%	0.552	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-34.5	-175.5	178.3	0	0	0	0	112.6	H32	H32-V98 HydrophobicContact CB-CG2 4.13Å
99	N	72.3	Confident	85.9	Confident	154 Å²	154	49.1 Å²	49.1	82%	0.824	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-3.3	-178.4	-61.8	-16.8	0	0	0	113.7	P97 T101	P97-N99 PolarHBondContact O-N 3.17Å; N99-T101 PolarHBondContact O-N 2.96Å
100	A	77.5	Confident	85.6	Confident	36 Å²	36	48.8 Å²	48.8	30%	0.298	26%	0.257	S	S	.	.			trans	-76.2	128.9	-177.4	0	0	0	0	0	110.7	I96 P97 K102	I96-A100 HydrophobicContact CD1-CB 4.39Å; I96-A100 HydrophobicContact CG1-CB 3.78Å; P97-A100 HydrophobicContact CB-CB 4.03Å; P97-A100 HydrophobicContact CG-CB 4.15Å; P97-A100 WeakPolarHBondContact O-CB 3.27Å; P97-A100 PolarHBondContact O-N 3.2Å; A100-K102 VanDerWaalsContact C-N 3.29Å
101	T	76.7	Confident	85.7	Confident	106 Å²	106	47 Å²	47	65%	0.65	25%	0.247	S	C	*	.	S	Bend	trans	-81.8	-12	178.2	57.4	0	0	0	0	112.5	K26 N99	K26-T101 WeakPolarHBondContact CE-O 3.49Å; K26-T101 PolarHBondContact NZ-O 3.38Å; N99-T101 PolarHBondContact O-N 2.96Å
102	K	81.3	Confident	85.7	Confident	57 Å²	57	49.7 Å²	49.7	25%	0.248	26%	0.257	C	S	.	.	S	Bend	trans	-147.8	150.9	-172.7	-64.9	-175.3	167.8	-150.3	0	111.6	S19 V21 A100 E108	S19-K102 PolarHBondContact OG-NZ 3.49Å; V21-K102 HydrophobicContact CG1-CD 4.37Å; V21-K102 HydrophobicContact CG1-CG 3.72Å; A100-K102 VanDerWaalsContact C-N 3.29Å; K102-E108 WeakPolarHBondContact CD-OE1 3.44Å; K102-E108 IonicContact NZ-OE1 3.91Å; K102-E108 PolarHBondContact NZ-OE1 2.79Å
103	Y	88.3	Confident	86	Confident	16 Å²	16	48.3 Å²	48.3	6%	0.063	25%	0.247	C	C	.	.			trans	-74.3	165.4	163.9	-75	-81.6	0	0	0	110.9	I25 K26 I96 L107	I25-Y103 HydrophobicContact CD1-CD2 4.27Å; I25-Y103 HydrophobicContact CD1-CE2 4.06Å; I25-Y103 HydrophobicContact CG1-CD2 4.12Å; I25-Y103 HydrophobicContact CG1-CE2 3.69Å; I25-Y103 PolarHBondContact O-OH 3.18Å; K26-Y103 HydrophobicContact CG-CD2 4.44Å; K26-Y103 HydrophobicContact CG-CE2 3.99Å; I96-Y103 HydrophobicContact CB-CD1 4.07Å; I96-Y103 HydrophobicContact CB-CE1 3.57Å; I96-Y103 HydrophobicContact CD1-CD1 4.29Å; I96-Y103 HydrophobicContact CD1-CD2 4.11Å; I96-Y103 HydrophobicContact CD1-CE1 4.16Å; I96-Y103 HydrophobicContact CD1-CE2 3.96Å; I96-Y103 HydrophobicContact CD1-CG 4.27Å; I96-Y103 HydrophobicContact CG1-CE1 4.34Å; I96-Y103 HydrophobicContact CG2-CE1 4.03Å; Y103-L107 HydrophobicContact CD1-CD1 3.87Å; Y103-L107 HydrophobicContact CE1-CD1 4.38Å; Y103-L107 HydrophobicContact CG-CB 4.3Å; Y103-L107 HydrophobicContact CG-CD1 4.45Å
104	R	88.6	Confident	86.3	Confident	88 Å²	88	48 Å²	48	33%	0.332	25%	0.245	S	C	.	.			trans	-63.9	157.4	169.1	-70.7	177.5	-178.1	-150.6	-0.9	111.1	D106 L107 E108	R104-D106 WeakPolarHBondContact CB-OD1 3.43Å; R104-D106 PolarHBondContact O-N 2.87Å; R104-D106 VanDerWaalsContact O-N 3.15Å; R104-L107 PolarHBondContact O-N 2.87Å; R104-E108 PolarHBondContact O-N 2.71Å
105	P	89.1	Confident	86.6	Confident	19 Å²	19	48 Å²	48	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-25.1	-173.3	-32.3	42.6	0	0	0	115.9	L107 E108 R109 K291	P105-L107 PolarHBondContact O-N 3.18Å; P105-E108 PolarHBondContact O-N 3.09Å; P105-R109 HydrophobicContact CB-CG 4.16Å; P105-R109 WeakPolarHBondContact O-CB 3.39Å; P105-R109 PolarHBondContact O-N 3.33Å; P105-K291 WeakPolarHBondContact CG-O 3.49Å
106	D	91	Very high	87.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-16.8	171.7	65.6	-47	0	0	0	113	W89 S93 R104 T111 F285 L292 G293	W89-D106 PolarHBondContact NE1-OD2 3.2Å; S93-D106 WeakPolarHBondContact CB-OD2 3.15Å; S93-D106 PolarHBondContact OG-OD1 2.72Å; S93-D106 PolarHBondContact OG-OD2 3.32Å; R104-D106 WeakPolarHBondContact CB-OD1 3.43Å; R104-D106 PolarHBondContact O-N 2.87Å; R104-D106 VanDerWaalsContact O-N 3.15Å; D106-T111 PolarHBondContact O-OG1 3.46Å; D106-F285 HydrophobicContact CB-CE1 4.12Å; D106-F285 HydrophobicContact CB-CZ 4.29Å; D106-L292 PolarHBondContact N-O 3.18Å; D106-G293 WeakPolarHBondContact OD1-CA 3.45Å
107	L	92.3	Very high	88.1	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-116.6	-20.7	172.2	-63.8	-179.4	0	0	0	113.2	I25 W89 Y103 R104 P105 E113 A114 V117	I25-L107 HydrophobicContact CD1-CB 4.46Å; W89-L107 HydrophobicContact CZ2-CD2 4.07Å; Y103-L107 HydrophobicContact CD1-CD1 3.87Å; Y103-L107 HydrophobicContact CE1-CD1 4.38Å; Y103-L107 HydrophobicContact CG-CB 4.3Å; Y103-L107 HydrophobicContact CG-CD1 4.45Å; R104-L107 PolarHBondContact O-N 2.87Å; P105-L107 PolarHBondContact O-N 3.18Å; L107-E113 HydrophobicContact CD2-CB 4.28Å; L107-A114 HydrophobicContact CD2-CB 4.47Å; L107-A114 WeakPolarHBondContact O-CB 3.37Å; L107-V117 HydrophobicContact CD2-CB 4.19Å; L107-V117 HydrophobicContact CD2-CG2 3.69Å
108	E	87.4	Confident	89	Confident	44 Å²	44	38.6 Å²	38.6	21%	0.206	19%	0.193	C	C	.	.	H	α-helix	trans	-83.3	-36.5	-179	-168.9	179.4	-166.6	0	0	113.4	K102 R104 P105 G110	K102-E108 WeakPolarHBondContact CD-OE1 3.44Å; K102-E108 IonicContact NZ-OE1 3.91Å; K102-E108 PolarHBondContact NZ-OE1 2.79Å; R104-E108 PolarHBondContact O-N 2.71Å; P105-E108 PolarHBondContact O-N 3.09Å; E108-G110 PolarHBondContact O-N 3.4Å
109	R	86.1	Confident	90.3	Very high	129 Å²	129	34.2 Å²	34.2	49%	0.487	17%	0.167	S	C	.	.	S	Bend	trans	-89.4	10	-167.1	-65.1	-174.7	178.9	170	2.7	115.2	P105 H280	P105-R109 HydrophobicContact CB-CG 4.16Å; P105-R109 WeakPolarHBondContact O-CB 3.39Å; P105-R109 PolarHBondContact O-N 3.33Å; R109-H280 PolarHBondContact O-CD2 3Å
110	G	91	Very high	91.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.			trans	69.5	44.9	-179.8	0	0	0	0	0	113.6	E108 L279 H280	E108-G110 PolarHBondContact O-N 3.4Å; G110-L279 PolarHBondContact O-N 3.05Å; G110-H280 PolarHBondContact O-N 3.49Å; G110-H280 VanDerWaalsContact O-N 3.13Å
111	T	95.3	Very high	92.6	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.025	12%	0.115	C	C	.	.			trans	-77.9	177.6	171.1	60.5	0	0	0	0	111.2	D106 E113 A114 A115 H280	D106-T111 PolarHBondContact O-OG1 3.46Å; T111-E113 VanDerWaalsContact C-N 3.3Å; T111-E113 WeakPolarHBondContact CB-OE2 3.47Å; T111-E113 PolarHBondContact OG1-N 2.87Å; T111-E113 PolarHBondContact OG1-OE2 2.79Å; T111-A114 PolarHBondContact O-N 3.1Å; T111-A114 PolarHBondContact OG1-N 2.83Å; T111-A114 VanDerWaalsContact OG1-N 3.13Å; T111-A115 PolarHBondContact O-N 3.22Å; T111-A115 VanDerWaalsContact O-N 3.07Å; T111-H280 WeakPolarHBondContact CA-O 3.48Å
112	R	96.8	Very high	93.6	Very high	58 Å²	58	20.3 Å²	20.3	22%	0.219	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-37.2	172.3	-161.3	-171.7	-79.1	-154.2	-1.7	112.1	A115 F116 Y244 L245 A247 Y278	R112-A115 WeakPolarHBondContact O-CB 3.28Å; R112-A115 PolarHBondContact O-N 2.95Å; R112-F116 PolarHBondContact O-N 3.1Å; R112-F116 VanDerWaalsContact O-N 3.1Å; R112-Y244 HydrophobicContact CB-CD2 4.31Å; R112-Y244 HydrophobicContact CB-CE2 3.82Å; R112-Y244 VanDerWaalsContact CD-O 3.24Å; R112-Y244 WeakPolarHBondContact CD-O 3.41Å; R112-Y244 HydrophobicContact CG-CD2 3.5Å; R112-Y244 HydrophobicContact CG-CE2 3.4Å; R112-Y244 VanDerWaalsContact CG-CE2 3.4Å; R112-Y244 HydrophobicContact CG-CG 4.24Å; R112-Y244 WeakPolarHBondContact O-CD2 3.45Å; R112-L245 PolarHBondContact NH1-O 3.48Å; R112-L245 VanDerWaalsContact NH1-O 3.15Å; R112-A247 HydrophobicContact CG-CB 3.9Å; R112-Y278 HydrophobicContact CB-CD1 4.32Å; R112-Y278 HydrophobicContact CB-CG 4.31Å; R112-Y278 HydrophobicContact CG-CD1 4.31Å; R112-Y278 PolarHBondContact NH2-OH 2.82Å
113	E	97.1	Very high	94.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-64	-44.6	177.3	-67.1	66.5	-134.2	0	0	110.7	W89 L107 T111 A115 F116 V117 Y244 S282 F285	W89-E113 HydrophobicContact CB-CG 4.37Å; W89-E113 HydrophobicContact CD2-CB 4.04Å; W89-E113 HydrophobicContact CD2-CG 3.37Å; W89-E113 VanDerWaalsContact CE2-CG 3.48Å; W89-E113 HydrophobicContact CE3-CB 4.39Å; W89-E113 HydrophobicContact CE3-CG 3.79Å; W89-E113 HydrophobicContact CG-CG 3.64Å; W89-E113 HydrophobicContact CH2-CB 4.04Å; W89-E113 HydrophobicContact CH2-CG 4.34Å; W89-E113 HydrophobicContact CZ2-CB 3.66Å; W89-E113 HydrophobicContact CZ2-CG 3.99Å; W89-E113 HydrophobicContact CZ3-CB 4.38Å; W89-E113 HydrophobicContact CZ3-CG 4.25Å; L107-E113 HydrophobicContact CD2-CB 4.28Å; T111-E113 VanDerWaalsContact C-N 3.3Å; T111-E113 WeakPolarHBondContact CB-OE2 3.47Å; T111-E113 PolarHBondContact OG1-N 2.87Å; T111-E113 PolarHBondContact OG1-OE2 2.79Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.79Å; E113-F116 PolarHBondContact O-N 3.07Å; E113-V117 WeakPolarHBondContact O-CG2 3.37Å; E113-V117 PolarHBondContact O-N 3.37Å; E113-Y244 HydrophobicContact CG-CE2 4.36Å; E113-Y244 PolarHBondContact OE1-OH 3.29Å; E113-S282 VanDerWaalsContact CD-OG 3.26Å; E113-S282 PolarHBondContact OE1-OG 3.41Å; E113-S282 VanDerWaalsContact OE1-OG 3.05Å; E113-S282 WeakPolarHBondContact OE2-CB 3.37Å; E113-S282 PolarHBondContact OE2-OG 2.99Å; E113-F285 HydrophobicContact CG-CE2 4.25Å; E113-F285 HydrophobicContact CG-CZ 3.92Å
114	A	95.6	Very high	95	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.2	-46.2	173	0	0	0	0	0	110.8	L107 T111 F116 V117 Y118	L107-A114 HydrophobicContact CD2-CB 4.47Å; L107-A114 WeakPolarHBondContact O-CB 3.37Å; T111-A114 PolarHBondContact O-N 3.1Å; T111-A114 PolarHBondContact OG1-N 2.83Å; T111-A114 VanDerWaalsContact OG1-N 3.13Å; A114-F116 VanDerWaalsContact C-N 3.31Å; A114-F116 PolarHBondContact O-N 3.02Å; A114-V117 PolarHBondContact O-N 3.06Å; A114-Y118 VanDerWaalsContact O-CD2 3.23Å; A114-Y118 WeakPolarHBondContact O-CD2 3.06Å; A114-Y118 PolarHBondContact O-N 2.64Å
115	A	97.5	Very high	95.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-55.4	-45.5	179.5	0	0	0	0	0	112.5	T111 R112 E113 Y118 A119 N196 M276 I277	T111-A115 PolarHBondContact O-N 3.22Å; T111-A115 VanDerWaalsContact O-N 3.07Å; R112-A115 WeakPolarHBondContact O-CB 3.28Å; R112-A115 PolarHBondContact O-N 2.95Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.79Å; A115-Y118 PolarHBondContact O-N 3.18Å; A115-A119 PolarHBondContact O-N 3.46Å; A115-A119 VanDerWaalsContact O-N 3.12Å; A115-N196 WeakPolarHBondContact CA-ND2 3.23Å; A115-N196 WeakPolarHBondContact CB-ND2 3.13Å; A115-M276 VanDerWaalsContact C-SD 3.55Å; A115-M276 HydrophobicContact CB-CG 3.54Å; A115-M276 HydrophobicContact CB-SD 3.62Å; A115-I277 WeakPolarHBondContact CB-O 3.47Å
116	F	98.4	Very high	95.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.1	-47.5	175.8	176.8	-90.2	0	0	0	112.3	C80 T83 F84 R112 E113 A114 Y118 A119 L120 L240 K241 Y244 M276	C80-F116 HydrophobicContact CB-CE1 4.42Å; T83-F116 HydrophobicContact CG2-CE2 4.44Å; T83-F116 HydrophobicContact CG2-CZ 3.99Å; F84-F116 HydrophobicContact CD2-CD1 4.31Å; F84-F116 AromaticContact CD2-CE1 3.99Å; F84-F116 HydrophobicContact CD2-CE1 3.99Å; F84-F116 HydrophobicContact CD2-CZ 4.3Å; F84-F116 AromaticContact CE2-CD1 3.49Å; F84-F116 HydrophobicContact CE2-CD1 3.49Å; F84-F116 VanDerWaalsContact CE2-CD1 3.49Å; F84-F116 AromaticContact CE2-CD2 3.87Å; F84-F116 HydrophobicContact CE2-CD2 3.87Å; F84-F116 AromaticContact CE2-CE1 3.39Å; F84-F116 HydrophobicContact CE2-CE1 3.39Å; F84-F116 AromaticContact CE2-CE2 3.76Å; F84-F116 HydrophobicContact CE2-CE2 3.76Å; F84-F116 AromaticContact CE2-CG 3.76Å; F84-F116 HydrophobicContact CE2-CG 3.76Å; F84-F116 AromaticContact CE2-CZ 3.54Å; F84-F116 HydrophobicContact CE2-CZ 3.54Å; F84-F116 HydrophobicContact CZ-CD1 4.12Å; F84-F116 HydrophobicContact CZ-CD2 4.07Å; F84-F116 HydrophobicContact CZ-CE1 4.39Å; F84-F116 HydrophobicContact CZ-CE2 4.32Å; F84-F116 AromaticContact CZ-CG 3.97Å; F84-F116 HydrophobicContact CZ-CG 3.97Å; F84-F116 HydrophobicContact CZ-CZ 4.5Å; R112-F116 PolarHBondContact O-N 3.1Å; R112-F116 VanDerWaalsContact O-N 3.1Å; E113-F116 PolarHBondContact O-N 3.07Å; A114-F116 VanDerWaalsContact C-N 3.31Å; A114-F116 PolarHBondContact O-N 3.02Å; F116-Y118 VanDerWaalsContact C-N 3.29Å; F116-Y118 PolarHBondContact O-N 3.32Å; F116-A119 PolarHBondContact O-N 3.1Å; F116-L120 HydrophobicContact CD1-CB 4.49Å; F116-L120 HydrophobicContact CE1-CB 4.01Å; F116-L120 HydrophobicContact CE1-CD2 3.6Å; F116-L120 HydrophobicContact CE1-CG 4.37Å; F116-L120 HydrophobicContact CZ-CB 4.18Å; F116-L120 HydrophobicContact CZ-CD2 3.92Å; F116-L120 HydrophobicContact CZ-CG 4.46Å; F116-L120 WeakPolarHBondContact O-CB 3.18Å; F116-L120 PolarHBondContact O-N 2.96Å; F116-L240 HydrophobicContact CD2-CB 4.1Å; F116-L240 HydrophobicContact CE2-CB 3.63Å; F116-K241 HydrophobicContact CE2-CB 4.46Å; F116-Y244 HydrophobicContact CB-CD2 3.76Å; F116-Y244 HydrophobicContact CB-CG 4.36Å; F116-M276 HydrophobicContact CB-CE 4.33Å; F116-M276 HydrophobicContact CB-SD 4.16Å; F116-M276 HydrophobicContact CD2-CE 4.4Å; F116-M276 PolarHBondContact N-SD 2.95Å; F116-M276 VanDerWaalsContact N-SD 3.4Å
117	V	98.1	Very high	96.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.6	-38.3	-178.1	174.1	0	0	0	0	111.4	I25 L28 W89 I94 L107 E113 A114 S121	I25-V117 HydrophobicContact CD1-CB 4.43Å; I25-V117 HydrophobicContact CD1-CG1 3.63Å; I25-V117 HydrophobicContact CG2-CG1 4.41Å; L28-V117 HydrophobicContact CD1-CG1 4.09Å; W89-V117 HydrophobicContact CH2-CG2 3.92Å; W89-V117 HydrophobicContact CZ2-CG2 4.26Å; I94-V117 HydrophobicContact CD1-CG1 3.75Å; I94-V117 HydrophobicContact CD1-CG2 4.19Å; I94-V117 HydrophobicContact CG1-CG1 4.29Å; L107-V117 HydrophobicContact CD2-CB 4.19Å; L107-V117 HydrophobicContact CD2-CG2 3.69Å; E113-V117 WeakPolarHBondContact O-CG2 3.37Å; E113-V117 PolarHBondContact O-N 3.37Å; A114-V117 PolarHBondContact O-N 3.06Å; V117-S121 WeakPolarHBondContact O-CB 2.98Å; V117-S121 PolarHBondContact O-N 3.22Å; V117-S121 PolarHBondContact O-OG 3.07Å
118	Y	97.8	Very high	96.6	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.02	5%	0.054	C	C	.	.	H	α-helix	trans	-66.1	-45.1	175.5	-86.1	-102.7	0	0	0	112.2	C22 G24 I25 A114 A115 F116 S121 A122 M179 Q193	C22-Y118 PolarHBondContact SG-OH 3Å; G24-Y118 WeakPolarHBondContact CA-OH 3.47Å; I25-Y118 HydrophobicContact CB-CE2 4.24Å; I25-Y118 HydrophobicContact CD1-CD2 4.24Å; I25-Y118 HydrophobicContact CD1-CE2 3.77Å; I25-Y118 HydrophobicContact CG1-CD2 4.4Å; I25-Y118 HydrophobicContact CG1-CE2 3.67Å; I25-Y118 HydrophobicContact CG2-CD1 3.84Å; I25-Y118 HydrophobicContact CG2-CD2 3.68Å; I25-Y118 HydrophobicContact CG2-CE1 3.78Å; I25-Y118 HydrophobicContact CG2-CE2 3.62Å; I25-Y118 HydrophobicContact CG2-CG 3.81Å; A114-Y118 VanDerWaalsContact O-CD2 3.23Å; A114-Y118 WeakPolarHBondContact O-CD2 3.06Å; A114-Y118 PolarHBondContact O-N 2.64Å; A115-Y118 PolarHBondContact O-N 3.18Å; F116-Y118 VanDerWaalsContact C-N 3.29Å; F116-Y118 PolarHBondContact O-N 3.32Å; Y118-S121 PolarHBondContact O-N 3.33Å; Y118-A122 WeakPolarHBondContact O-CB 3.38Å; Y118-A122 PolarHBondContact O-N 3.43Å; Y118-M179 HydrophobicContact CD1-SD 4.29Å; Y118-M179 HydrophobicContact CE1-CE 4.45Å; Y118-M179 HydrophobicContact CE1-SD 3.83Å; Y118-Q193 HydrophobicContact CD1-CB 3.61Å; Y118-Q193 HydrophobicContact CD1-CG 3.79Å; Y118-Q193 HydrophobicContact CD2-CG 4.17Å; Y118-Q193 HydrophobicContact CE1-CB 3.54Å; Y118-Q193 VanDerWaalsContact CE1-CD 3.46Å; Y118-Q193 HydrophobicContact CE1-CG 3.49Å; Y118-Q193 VanDerWaalsContact CE1-CG 3.49Å; Y118-Q193 HydrophobicContact CE2-CG 3.91Å; Y118-Q193 HydrophobicContact CG-CB 4.25Å; Y118-Q193 HydrophobicContact CG-CG 4.1Å; Y118-Q193 PolarHBondContact OH-NE2 2.95Å; Y118-Q193 PolarHBondContact OH-OE1 3.43Å
119	A	98.6	Very high	97.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.8	-50.3	176.5	0	0	0	0	0	111.7	A115 F116 S121 A122 A123 N196 G200 L240 M276	A115-A119 PolarHBondContact O-N 3.46Å; A115-A119 VanDerWaalsContact O-N 3.12Å; F116-A119 PolarHBondContact O-N 3.1Å; A119-S121 VanDerWaalsContact C-N 3.32Å; A119-S121 PolarHBondContact O-N 3.16Å; A119-A122 PolarHBondContact O-N 3.4Å; A119-A123 WeakPolarHBondContact O-CB 3.35Å; A119-A123 PolarHBondContact O-N 3.45Å; A119-N196 VanDerWaalsContact CA-O 3.22Å; A119-N196 WeakPolarHBondContact CA-O 3.49Å; A119-N196 WeakPolarHBondContact CB-O 3.43Å; A119-G200 WeakPolarHBondContact O-CA 3.29Å; A119-L240 HydrophobicContact CB-CD1 4.29Å; A119-L240 HydrophobicContact CB-CD2 4.19Å; A119-M276 HydrophobicContact CB-CE 3.78Å
120	L	98.8	Very high	97.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-61.8	-40.7	177.7	-179.5	65	0	0	0	111.3	V76 T79 C80 F116 A123 T124 A237 L240	V76-L120 HydrophobicContact CG1-CD2 4.45Å; T79-L120 HydrophobicContact CG2-CD1 4.09Å; T79-L120 HydrophobicContact CG2-CD2 4.31Å; C80-L120 HydrophobicContact CB-CD2 3.73Å; F116-L120 HydrophobicContact CD1-CB 4.49Å; F116-L120 HydrophobicContact CE1-CB 4.01Å; F116-L120 HydrophobicContact CE1-CD2 3.6Å; F116-L120 HydrophobicContact CE1-CG 4.37Å; F116-L120 HydrophobicContact CZ-CB 4.18Å; F116-L120 HydrophobicContact CZ-CD2 3.92Å; F116-L120 HydrophobicContact CZ-CG 4.46Å; F116-L120 WeakPolarHBondContact O-CB 3.18Å; F116-L120 PolarHBondContact O-N 2.96Å; L120-A123 PolarHBondContact O-N 3.2Å; L120-T124 WeakPolarHBondContact O-CB 2.99Å; L120-T124 PolarHBondContact O-N 3.2Å; L120-T124 PolarHBondContact O-OG1 2.82Å; L120-A237 HydrophobicContact CD1-CB 3.98Å; L120-L240 HydrophobicContact CB-CD1 4.25Å; L120-L240 HydrophobicContact CD1-CD1 4.32Å
121	S	98.4	Very high	98	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.021	4%	0.036	C	C	.	.	H	α-helix	trans	-61.8	-45.5	178.5	-65.6	0	0	0	0	112.1	V117 Y118 A119 I125	V117-S121 WeakPolarHBondContact O-CB 2.98Å; V117-S121 PolarHBondContact O-N 3.22Å; V117-S121 PolarHBondContact O-OG 3.07Å; Y118-S121 PolarHBondContact O-N 3.33Å; A119-S121 VanDerWaalsContact C-N 3.32Å; A119-S121 PolarHBondContact O-N 3.16Å; S121-I125 VanDerWaalsContact O-CG2 3.26Å; S121-I125 WeakPolarHBondContact O-CG2 3.39Å; S121-I125 PolarHBondContact O-N 3.38Å; S121-I125 VanDerWaalsContact O-N 3.1Å
122	A	98.6	Very high	98.1	Very high	1 Å²	1	8 Å²	8	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-68.8	-39.8	179.1	0	0	0	0	0	112.2	Y118 A119 I125 S126 S197 R201	Y118-A122 WeakPolarHBondContact O-CB 3.38Å; Y118-A122 PolarHBondContact O-N 3.43Å; A119-A122 PolarHBondContact O-N 3.4Å; A122-I125 WeakPolarHBondContact O-CG2 3.35Å; A122-S126 PolarHBondContact O-N 2.85Å; A122-S126 PolarHBondContact O-OG 3.04Å; A122-S197 VanDerWaalsContact CB-O 3.25Å; A122-S197 WeakPolarHBondContact CB-O 2.82Å; A122-R201 HydrophobicContact CB-CG 4.26Å
123	A	98.8	Very high	98.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.7	-49.3	174.1	0	0	0	0	0	111.3	A119 L120 S126 H127 G200 L204 I236 L240	A119-A123 WeakPolarHBondContact O-CB 3.35Å; A119-A123 PolarHBondContact O-N 3.45Å; L120-A123 PolarHBondContact O-N 3.2Å; A123-S126 PolarHBondContact O-N 2.01Å; A123-H127 WeakPolarHBondContact O-CB 3.49Å; A123-H127 PolarHBondContact O-N 3.4Å; A123-G200 WeakPolarHBondContact CB-O 3.43Å; A123-L204 HydrophobicContact CB-CB 4.47Å; A123-L204 WeakPolarHBondContact O-CD2 3.49Å; A123-I236 HydrophobicContact CB-CG2 4.36Å; A123-L240 HydrophobicContact CB-CD1 4.3Å
124	T	98.8	Very high	98.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.4	-45.6	-174	-55.6	0	0	0	0	112	E75 V76 L120 S126 H127 T128 L233	E75-T124 HydrophobicContact CB-CG2 3.93Å; V76-T124 VanDerWaalsContact CG2-CB 3.46Å; V76-T124 HydrophobicContact CG2-CG2 3.64Å; L120-T124 WeakPolarHBondContact O-CB 2.99Å; L120-T124 PolarHBondContact O-N 3.2Å; L120-T124 PolarHBondContact O-OG1 2.82Å; T124-S126 VanDerWaalsContact C-N 3.3Å; T124-S126 PolarHBondContact O-N 3.14Å; T124-H127 PolarHBondContact O-N 3.04Å; T124-T128 WeakPolarHBondContact O-CB 3.25Å; T124-T128 PolarHBondContact O-N 3.22Å; T124-T128 PolarHBondContact O-OG1 3.16Å; T124-L233 HydrophobicContact CG2-CD1 4.35Å; T124-L233 HydrophobicContact CG2-CD2 3.61Å
125	I	98.7	Very high	98	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.5	-41.3	178.9	-167.5	173.1	0	0	0	111.5	W27 I69 A72 S121 A122 I129 F174	W27-I125 HydrophobicContact CH2-CB 4.06Å; W27-I125 HydrophobicContact CH2-CD1 4.11Å; W27-I125 HydrophobicContact CH2-CG1 4.38Å; W27-I125 HydrophobicContact CZ2-CB 4.38Å; W27-I125 HydrophobicContact CZ2-CD1 4.32Å; W27-I125 HydrophobicContact CZ3-CD1 4.39Å; I69-I125 HydrophobicContact CG1-CD1 4.23Å; I69-I125 HydrophobicContact CG2-CD1 4.35Å; A72-I125 HydrophobicContact CB-CB 4.29Å; A72-I125 HydrophobicContact CB-CG1 4.27Å; S121-I125 VanDerWaalsContact O-CG2 3.26Å; S121-I125 WeakPolarHBondContact O-CG2 3.39Å; S121-I125 PolarHBondContact O-N 3.38Å; S121-I125 VanDerWaalsContact O-N 3.1Å; A122-I125 WeakPolarHBondContact O-CG2 3.35Å; I125-I129 HydrophobicContact CG1-CD1 3.93Å; I125-I129 WeakPolarHBondContact O-CB 3.05Å; I125-I129 WeakPolarHBondContact O-CD1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.15Å; I125-I129 PolarHBondContact O-N 3.38Å; I125-I129 VanDerWaalsContact O-N 3.11Å; I125-F174 HydrophobicContact CD1-CB 4.09Å; I125-F174 HydrophobicContact CD1-CD1 3.55Å; I125-F174 HydrophobicContact CD1-CE1 4.38Å; I125-F174 HydrophobicContact CD1-CG 4.15Å
126	S	98.8	Very high	97.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.6	-39.1	177	-71.8	0	0	0	0	112.7	A122 A123 T124 A130 G167 L168 L204	A122-S126 PolarHBondContact O-N 2.85Å; A122-S126 PolarHBondContact O-OG 3.04Å; A123-S126 PolarHBondContact O-N 2.01Å; T124-S126 VanDerWaalsContact C-N 3.3Å; T124-S126 PolarHBondContact O-N 3.14Å; S126-A130 VanDerWaalsContact O-CB 3.32Å; S126-A130 WeakPolarHBondContact O-CB 3.38Å; S126-A130 PolarHBondContact O-N 2.91Å; S126-G167 WeakPolarHBondContact CA-O 3.39Å; S126-G167 VanDerWaalsContact CB-O 3.32Å; S126-G167 WeakPolarHBondContact CB-O 3.36Å; S126-G167 WeakPolarHBondContact O-CA 3.29Å; S126-G167 PolarHBondContact OG-O 2.74Å; S126-L168 WeakPolarHBondContact OG-CA 3.4Å; S126-L204 VanDerWaalsContact CB-CD2 3.44Å
127	H	98.7	Very high	97.7	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.032	12%	0.121	C	C	.	.	H	α-helix	trans	-60.7	-52.2	174.8	177.4	-84.4	0	0	0	111.6	A123 T124 I129 A130 Q131 L204 Q231	A123-H127 WeakPolarHBondContact O-CB 3.49Å; A123-H127 PolarHBondContact O-N 3.4Å; T124-H127 PolarHBondContact O-N 3.04Å; H127-I129 VanDerWaalsContact C-N 3.35Å; H127-I129 PolarHBondContact O-N 2.96Å; H127-A130 PolarHBondContact O-N 3.04Å; H127-Q131 PolarHBondContact CE1-NE2 3.2Å; H127-Q131 PolarHBondContact CE1-OE1 3Å; H127-Q131 WeakPolarHBondContact O-CG 3.35Å; H127-Q131 PolarHBondContact O-N 2.72Å; H127-L204 HydrophobicContact CB-CD1 3.77Å; H127-L204 HydrophobicContact CB-CD2 4.38Å; H127-Q231 PolarHBondContact NE2-O 3.11Å
128	T	98.4	Very high	97.6	Very high	19 Å²	19	19.2 Å²	19.2	12%	0.117	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-39.2	-178.6	-53.4	0	0	0	0	111.7	T68 A72 T124 A132	T68-T128 HydrophobicContact CG2-CG2 3.82Å; A72-T128 HydrophobicContact CB-CG2 4.23Å; T124-T128 WeakPolarHBondContact O-CB 3.25Å; T124-T128 PolarHBondContact O-N 3.22Å; T124-T128 PolarHBondContact O-OG1 3.16Å; T128-A132 WeakPolarHBondContact O-CB 3.24Å; T128-A132 PolarHBondContact O-N 3.04Å
129	I	98.5	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-44.5	175.7	-66.7	168.2	0	0	0	111.1	L65 T68 I125 H127 Q131 A132 C133 L138 Y166 M170	L65-I129 HydrophobicContact CD1-CD1 3.99Å; L65-I129 HydrophobicContact CD1-CG1 3.9Å; L65-I129 HydrophobicContact CD1-CG2 4.21Å; T68-I129 HydrophobicContact CG2-CG1 3.95Å; I125-I129 HydrophobicContact CG1-CD1 3.93Å; I125-I129 WeakPolarHBondContact O-CB 3.05Å; I125-I129 WeakPolarHBondContact O-CD1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.15Å; I125-I129 PolarHBondContact O-N 3.38Å; I125-I129 VanDerWaalsContact O-N 3.11Å; H127-I129 VanDerWaalsContact C-N 3.35Å; H127-I129 PolarHBondContact O-N 2.96Å; I129-Q131 VanDerWaalsContact C-N 3.32Å; I129-Q131 PolarHBondContact O-N 2.73Å; I129-A132 PolarHBondContact O-N 3.15Å; I129-C133 PolarHBondContact O-N 3.32Å; I129-C133 PolarHBondContact O-SG 3.17Å; I129-L138 HydrophobicContact CG2-CD2 4.23Å; I129-Y166 HydrophobicContact CG2-CD1 3.74Å; I129-Y166 HydrophobicContact CG2-CE1 3.8Å; I129-M170 HydrophobicContact CD1-CB 4.04Å; I129-M170 HydrophobicContact CG2-CB 4.36Å
130	A	98.2	Very high	96.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-41.4	179	0	0	0	0	0	112.1	S126 H127 C133 T134 D162 N163 L230	S126-A130 VanDerWaalsContact O-CB 3.32Å; S126-A130 WeakPolarHBondContact O-CB 3.38Å; S126-A130 PolarHBondContact O-N 2.91Å; H127-A130 PolarHBondContact O-N 3.04Å; A130-C133 WeakPolarHBondContact O-CB 3.34Å; A130-C133 PolarHBondContact O-N 3.08Å; A130-T134 PolarHBondContact O-N 3.34Å; A130-T134 PolarHBondContact O-OG1 3.24Å; A130-D162 HydrophobicContact CB-CB 4.48Å; A130-N163 WeakPolarHBondContact CB-O 3.37Å; A130-L230 HydrophobicContact CB-CD1 3.86Å
131	Q	97.5	Very high	96.8	Very high	68 Å²	68	33.8 Å²	33.8	32%	0.318	19%	0.188	S	C	.	.	H	α-helix	trans	-70.3	-34.5	176.5	-70.4	-167.6	-37.9	0	0	113	H127 I129 C133 T134 S135	H127-Q131 PolarHBondContact CE1-NE2 3.2Å; H127-Q131 PolarHBondContact CE1-OE1 3Å; H127-Q131 WeakPolarHBondContact O-CG 3.35Å; H127-Q131 PolarHBondContact O-N 2.72Å; I129-Q131 VanDerWaalsContact C-N 3.32Å; I129-Q131 PolarHBondContact O-N 2.73Å; Q131-C133 PolarHBondContact O-N 3.38Å; Q131-T134 WeakPolarHBondContact O-CA 3.5Å; Q131-T134 WeakPolarHBondContact O-CB 3.44Å; Q131-T134 PolarHBondContact O-N 2.78Å; Q131-S135 PolarHBondContact O-N 3.33Å; Q131-S135 PolarHBondContact O-OG 2.84Å
132	A	97.6	Very high	96.7	Very high	6 Å²	6	38.5 Å²	38.5	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-29	175.4	0	0	0	0	0	112.7	T68 T128 I129 S135 G136 D137 L138	T68-A132 HydrophobicContact CG2-CB 3.7Å; T128-A132 WeakPolarHBondContact O-CB 3.24Å; T128-A132 PolarHBondContact O-N 3.04Å; I129-A132 PolarHBondContact O-N 3.15Å; A132-S135 WeakPolarHBondContact CA-OG 3.39Å; A132-S135 PolarHBondContact O-OG 3.45Å; A132-G136 PolarHBondContact O-N 3.05Å; A132-D137 HydrophobicContact CB-CB 4.27Å; A132-D137 PolarHBondContact O-N 3.1Å; A132-D137 VanDerWaalsContact O-N 3.08Å; A132-L138 HydrophobicContact CB-CB 4.02Å; A132-L138 PolarHBondContact O-N 3Å
133	C	97.4	Very high	96.6	Very high	7 Å²	7	41 Å²	41	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-66.7	-38.8	169.9	-58.7	0	0	0	0	111.8	I129 A130 Q131 C141 N163 Y166	I129-C133 PolarHBondContact O-N 3.32Å; I129-C133 PolarHBondContact O-SG 3.17Å; A130-C133 WeakPolarHBondContact O-CB 3.34Å; A130-C133 PolarHBondContact O-N 3.08Å; Q131-C133 PolarHBondContact O-N 3.38Å; C133-C141 WeakPolarHBondContact CA-SG 3.44Å; C133-C141 HydrophobicContact CB-CB 3.92Å; C133-C141 WeakPolarHBondContact CB-SG 3.23Å; C133-C141 WeakPolarHBondContact SG-CB 3.47Å; C133-C141 CovalentContact SG-SG 2.02Å; C133-C141 PolarHBondContact SG-SG 2.98Å; C133-N163 HydrophobicContact CB-CB 4.01Å; C133-Y166 VanDerWaalsContact SG-CD1 3.57Å
134	T	96	Very high	96.4	Very high	39 Å²	39	41.5 Å²	41.5	24%	0.239	24%	0.238	C	C	.	.	H	α-helix	trans	-72.5	-40.5	-179.9	-53.4	0	0	0	0	113.1	A130 Q131 G136 C160 A161 D162	A130-T134 PolarHBondContact O-N 3.34Å; A130-T134 PolarHBondContact O-OG1 3.24Å; Q131-T134 WeakPolarHBondContact O-CA 3.5Å; Q131-T134 WeakPolarHBondContact O-CB 3.44Å; Q131-T134 PolarHBondContact O-N 2.78Å; T134-G136 PolarHBondContact O-N 3.32Å; T134-C160 HydrophobicContact CG2-CB 4.05Å; T134-C160 VanDerWaalsContact CG2-O 3.26Å; T134-C160 WeakPolarHBondContact CG2-O 3.38Å; T134-A161 PolarHBondContact OG1-O 3.09Å; T134-D162 WeakPolarHBondContact CB-OD1 3.35Å; T134-D162 VanDerWaalsContact OG1-CA 3.23Å; T134-D162 WeakPolarHBondContact OG1-CA 3.15Å; T134-D162 PolarHBondContact OG1-OD1 3.39Å
135	S	95.3	Very high	96.1	Very high	72 Å²	72	45.8 Å²	45.8	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-73.8	-16.6	178.6	60.9	0	0	0	0	113	Q131 A132 D137	Q131-S135 PolarHBondContact O-N 3.33Å; Q131-S135 PolarHBondContact O-OG 2.84Å; A132-S135 WeakPolarHBondContact CA-OG 3.39Å; A132-S135 PolarHBondContact O-OG 3.45Å; S135-D137 VanDerWaalsContact C-N 3.29Å; S135-D137 WeakPolarHBondContact CB-OD2 3.42Å; S135-D137 PolarHBondContact OG-N 2.98Å; S135-D137 PolarHBondContact OG-OD2 3.02Å
136	G	94.9	Very high	95.8	Very high	49 Å²	49	51.6 Å²	51.6	51%	0.505	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	7.7	-173.7	0	0	0	0	0	113.8	A132 T134 L138	A132-G136 PolarHBondContact O-N 3.05Å; T134-G136 PolarHBondContact O-N 3.32Å; G136-L138 PolarHBondContact O-N 3.44Å
137	D	94.3	Very high	95.5	Very high	126 Å²	126	52.9 Å²	52.9	67%	0.674	30%	0.304	S	S	*	.	S	Bend	trans	-66.2	-28.6	175.3	-66.9	-39.5	0	0	0	111.8	A132 S135	A132-D137 HydrophobicContact CB-CB 4.27Å; A132-D137 PolarHBondContact O-N 3.1Å; A132-D137 VanDerWaalsContact O-N 3.08Å; S135-D137 VanDerWaalsContact C-N 3.29Å; S135-D137 WeakPolarHBondContact CB-OD2 3.42Å; S135-D137 PolarHBondContact OG-N 2.98Å; S135-D137 PolarHBondContact OG-OD2 3.02Å
138	L	94.7	Very high	95.1	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	34%	0.344	C	S	.	.			trans	-112.7	109.9	176.3	-171.5	62.2	0	0	0	110.9	E64 L65 I129 A132 G136 T140 C141 Y166	E64-L138 HydrophobicContact CB-CD1 4.23Å; L65-L138 HydrophobicContact CD1-CD1 4.41Å; L65-L138 HydrophobicContact CD1-CD2 3.64Å; I129-L138 HydrophobicContact CG2-CD2 4.23Å; A132-L138 HydrophobicContact CB-CB 4.02Å; A132-L138 PolarHBondContact O-N 3Å; G136-L138 PolarHBondContact O-N 3.44Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 WeakPolarHBondContact CD1-OG1 3.44Å; L138-T140 WeakPolarHBondContact CG-OG1 3.48Å; L138-T140 PolarHBondContact O-N 3.35Å; L138-C141 PolarHBondContact O-SG 2.9Å; L138-Y166 HydrophobicContact CD2-CE1 3.73Å
139	R	91.6	Very high	94.7	Very high	212 Å²	212	61.1 Å²	61.1	80%	0.8	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.5	-175.1	-55.9	179.6	-163.9	-171.2	4.4	113.9	C141	R139-C141 PolarHBondContact O-N 2.94Å
140	T	91.9	Very high	94.3	Very high	79 Å²	79	68.7 Å²	68.7	49%	0.485	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1	-177.3	55	0	0	0	0	113.4	L138 Y166	L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 WeakPolarHBondContact CD1-OG1 3.44Å; L138-T140 WeakPolarHBondContact CG-OG1 3.48Å; L138-T140 PolarHBondContact O-N 3.35Å; T140-Y166 PolarHBondContact OG1-OH 3.12Å
141	C	95.9	Very high	93.7	Very high	19 Å²	19	70.7 Å²	70.7	13%	0.128	41%	0.411	C	S	.	.	S	Bend	trans	-134.8	161.4	175.6	53.5	0	0	0	0	111.9	C133 L138 R139 Y166	C133-C141 WeakPolarHBondContact CA-SG 3.44Å; C133-C141 HydrophobicContact CB-CB 3.92Å; C133-C141 WeakPolarHBondContact CB-SG 3.23Å; C133-C141 WeakPolarHBondContact SG-CB 3.47Å; C133-C141 CovalentContact SG-SG 2.02Å; C133-C141 PolarHBondContact SG-SG 2.98Å; L138-C141 PolarHBondContact O-SG 2.9Å; R139-C141 PolarHBondContact O-N 2.94Å; C141-Y166 HydrophobicContact CB-CD1 3.61Å; C141-Y166 HydrophobicContact CB-CD2 3.97Å; C141-Y166 HydrophobicContact CB-CE1 3.67Å; C141-Y166 HydrophobicContact CB-CE2 3.98Å; C141-Y166 HydrophobicContact CB-CG 3.77Å
142	T	96.3	Very high	93.2	Very high	102 Å²	102	74.1 Å²	74.1	63%	0.626	43%	0.427	S	S	*	.			trans	-105.7	172.1	177.2	61.8	0	0	0	0	110.7	N163	T142-N163 VanDerWaalsContact O-CB 3.26Å; T142-N163 WeakPolarHBondContact O-CB 3.43Å; T142-N163 PolarHBondContact O-ND2 2.84Å
143	C	96.2	Very high	92.6	Very high	55 Å²	55	80.5 Å²	80.5	37%	0.372	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-52.1	154.6	162.6	-54.3	0	0	0	0	111.5	C160	C143-C160 HydrophobicContact CB-CB 4.05Å; C143-C160 WeakPolarHBondContact CB-SG 3.4Å; C143-C160 WeakPolarHBondContact SG-CB 3.45Å; C143-C160 CovalentContact SG-SG 2.03Å; C143-C160 PolarHBondContact SG-SG 2.86Å
144	G	95.1	Very high	92	Very high	9 Å²	9	82.3 Å²	82.3	9%	0.093	49%	0.488	C	S	.	.	B	Isolated β-bridge	trans	-63.5	162.6	172.8	0	0	0	0	0	112.8	A161	G144-A161 PolarHBondContact N-O 3.42Å
145	P	93	Very high	91.7	Very high	90 Å²	90	81.7 Å²	81.7	58%	0.584	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-64.1	143.7	-178.6	28.1	-34.5	0	0	0	111.4
146	I	91.8	Very high	91.6	Very high	122 Å²	122	85.1 Å²	85.1	63%	0.626	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-70.7	130.9	170.4	-61.9	175.3	0	0	0	107.9	A148 W157	I146-A148 PolarHBondContact O-N 3.37Å; I146-W157 HydrophobicContact CG2-CB 3.66Å; I146-W157 HydrophobicContact CG2-CG 4.16Å
147	P	92	Very high	91.5	Very high	27 Å²	27	84.5 Å²	84.5	18%	0.175	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-57.3	138.3	176.9	-26.8	36.9	0	0	0	112.1	E149 W157 K228	P147-E149 VanDerWaalsContact C-N 3.27Å; P147-E149 HydrophobicContact CB-CG 3.81Å; P147-W157 HydrophobicContact CB-CD2 4.11Å; P147-W157 HydrophobicContact CB-CE3 4.45Å; P147-W157 HydrophobicContact CB-CH2 4.25Å; P147-W157 HydrophobicContact CB-CZ2 3.87Å; P147-W157 HydrophobicContact CG-CD2 3.9Å; P147-W157 HydrophobicContact CG-CE3 3.77Å; P147-W157 HydrophobicContact CG-CH2 3.87Å; P147-W157 HydrophobicContact CG-CZ2 3.98Å; P147-W157 HydrophobicContact CG-CZ3 3.76Å; P147-K228 HydrophobicContact CG-CD 4.45Å; P147-K228 HydrophobicContact CG-CG 3.68Å
148	A	90.1	Very high	91.4	Very high	105 Å²	105	79.4 Å²	79.4	87%	0.868	44%	0.443	S	S	*	.			trans	-77	-15.7	177.4	0	0	0	0	0	113	I146 I150	I146-A148 PolarHBondContact O-N 3.37Å; A148-I150 PolarHBondContact O-N 3.47Å
149	E	90.9	Very high	91.2	Very high	95 Å²	95	82.4 Å²	82.4	44%	0.444	47%	0.474	S	S	.	.	S	Bend	trans	-61.4	129.4	176.8	62.5	-170.6	163.7	0	0	110.5	P147 W157 K228	P147-E149 VanDerWaalsContact C-N 3.27Å; P147-E149 HydrophobicContact CB-CG 3.81Å; E149-W157 HydrophobicContact CG-CZ2 3.53Å; E149-W157 PolarHBondContact O-NE1 3.21Å; E149-W157 WeakPolarHBondContact OE1-CH2 3.48Å; E149-W157 WeakPolarHBondContact OE1-CZ2 3.16Å; E149-K228 VanDerWaalsContact OE1-CE 3.26Å; E149-K228 WeakPolarHBondContact OE1-CE 3.16Å; E149-K228 IonicContact OE1-NZ 2.79Å; E149-K228 PolarHBondContact OE1-NZ 3.34Å
150	I	88.8	Confident	91.4	Very high	159 Å²	159	73.8 Å²	73.8	82%	0.815	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-66.9	124.7	176.9	-59.5	173.5	0	0	0	107.4	A148	A148-I150 PolarHBondContact O-N 3.47Å
151	P	87.6	Confident	91.6	Very high	42 Å²	42	70.4 Å²	70.4	27%	0.273	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-67.7	140.8	-178.7	28.7	-33.9	0	0	0	110.7	Y155	P151-Y155 HydrophobicContact CB-CD2 3.72Å; P151-Y155 HydrophobicContact CB-CE1 4.35Å; P151-Y155 HydrophobicContact CB-CE2 3.35Å; P151-Y155 HydrophobicContact CB-CG 4.34Å; P151-Y155 WeakPolarHBondContact CB-O 3.45Å
152	E	85.9	Confident	91.6	Very high	139 Å²	139	70.3 Å²	70.3	65%	0.65	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-62.2	157.6	173.2	-61.6	-180	168.9	0	0	111.3	G154 Y155	E152-G154 PolarHBondContact O-N 3.44Å; E152-Y155 HydrophobicContact CB-CE1 3.87Å; E152-Y155 HydrophobicContact CG-CE1 4.43Å; E152-Y155 PolarHBondContact O-N 2.97Å
153	P	84.8	Confident	91.7	Very high	140 Å²	140	66.3 Å²	66.3	91%	0.909	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	129.7	174	-25.3	34.2	0	0	0	112
154	G	84.7	Confident	91.8	Very high	45 Å²	45	64.5 Å²	64.5	46%	0.464	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	107	-8.5	177.3	0	0	0	0	0	115.2	E152 R224	E152-G154 PolarHBondContact O-N 3.44Å; G154-R224 PolarHBondContact O-N 2.65Å
155	Y	90.2	Very high	91.9	Very high	27 Å²	27	69.2 Å²	69.2	11%	0.106	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.7	165.4	75.4	-86.3	0	0	0	113.2	P151 E152 W157 M210 R224 C226	P151-Y155 HydrophobicContact CB-CD2 3.72Å; P151-Y155 HydrophobicContact CB-CE1 4.35Å; P151-Y155 HydrophobicContact CB-CE2 3.35Å; P151-Y155 HydrophobicContact CB-CG 4.34Å; P151-Y155 WeakPolarHBondContact CB-O 3.45Å; E152-Y155 HydrophobicContact CB-CE1 3.87Å; E152-Y155 HydrophobicContact CG-CE1 4.43Å; E152-Y155 PolarHBondContact O-N 2.97Å; Y155-W157 HydrophobicContact CE2-CD2 4.43Å; Y155-W157 HydrophobicContact CE2-CH2 4.26Å; Y155-W157 AromaticContact CE2-CZ2 3.94Å; Y155-W157 HydrophobicContact CE2-CZ2 3.94Å; Y155-M210 HydrophobicContact CE1-CE 4.42Å; Y155-M210 HydrophobicContact CE2-CE 4.05Å; Y155-M210 HydrophobicContact CE2-SD 4.39Å; Y155-R224 VanDerWaalsContact CA-O 3.26Å; Y155-R224 WeakPolarHBondContact CA-O 3.38Å; Y155-R224 VanDerWaalsContact CB-CG 3.47Å; Y155-R224 WeakPolarHBondContact CB-O 3.48Å; Y155-C226 HydrophobicContact CD2-CB 3.92Å; Y155-C226 HydrophobicContact CE2-CB 4.44Å
156	R	92.2	Very high	92.1	Very high	144 Å²	144	67.1 Å²	67.1	54%	0.543	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.4	171.1	64.3	-177.9	-179.2	-177.5	0.6	110.4	R224 T225 C226	R156-R224 PolarHBondContact N-O 2.88Å; R156-T225 HydrophobicContact CG-CG2 4.5Å; R156-T225 WeakPolarHBondContact O-CA 2.95Å; R156-C226 PolarHBondContact O-N 3.04Å
157	W	94	Very high	92.4	Very high	35 Å²	35	61.3 Å²	61.3	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.2	167.1	-64.8	118.3	0	0	0	110.6	I146 P147 E149 Y155 M210 C226 K228	I146-W157 HydrophobicContact CG2-CB 3.66Å; I146-W157 HydrophobicContact CG2-CG 4.16Å; P147-W157 HydrophobicContact CB-CD2 4.11Å; P147-W157 HydrophobicContact CB-CE3 4.45Å; P147-W157 HydrophobicContact CB-CH2 4.25Å; P147-W157 HydrophobicContact CB-CZ2 3.87Å; P147-W157 HydrophobicContact CG-CD2 3.9Å; P147-W157 HydrophobicContact CG-CE3 3.77Å; P147-W157 HydrophobicContact CG-CH2 3.87Å; P147-W157 HydrophobicContact CG-CZ2 3.98Å; P147-W157 HydrophobicContact CG-CZ3 3.76Å; E149-W157 HydrophobicContact CG-CZ2 3.53Å; E149-W157 PolarHBondContact O-NE1 3.21Å; E149-W157 WeakPolarHBondContact OE1-CH2 3.48Å; E149-W157 WeakPolarHBondContact OE1-CZ2 3.16Å; Y155-W157 HydrophobicContact CE2-CD2 4.43Å; Y155-W157 HydrophobicContact CE2-CH2 4.26Å; Y155-W157 AromaticContact CE2-CZ2 3.94Å; Y155-W157 HydrophobicContact CE2-CZ2 3.94Å; W157-M210 HydrophobicContact CH2-CE 3.82Å; W157-M210 HydrophobicContact CH2-CG 4.3Å; W157-M210 HydrophobicContact CZ2-CE 4.38Å; W157-M210 HydrophobicContact CZ3-CG 4.28Å; W157-C226 WeakPolarHBondContact CA-O 3.47Å; W157-C226 HydrophobicContact CE3-CB 4.39Å; W157-C226 VanDerWaalsContact CE3-O 3.3Å; W157-C226 HydrophobicContact CZ3-CB 4.23Å; W157-K228 HydrophobicContact CH2-CD 4.5Å
158	G	91.8	Very high	92.7	Very high	20 Å²	20	60.8 Å²	60.8	21%	0.206	36%	0.356	C	S	.	.			trans	171.6	-177.4	174.9	0	0	0	0	0	111.8	T225 C226 W227	G158-T225 VanDerWaalsContact C-CG2 3.47Å; G158-T225 VanDerWaalsContact CA-CG2 3.48Å; G158-C226 PolarHBondContact N-O 3.26Å; G158-C226 CarbonylContact O-C 3.54Å; G158-W227 WeakPolarHBondContact O-CB 3.26Å
159	G	91	Very high	93.1	Very high	64 Å²	64	61.5 Å²	61.5	66%	0.66	34%	0.339	S	S	*	.	S	Bend	trans	81.3	-168.1	-170.3	0	0	0	0	0	112.1
160	C	94.6	Very high	93.4	Very high	32 Å²	32	57.4 Å²	57.4	22%	0.216	32%	0.321	C	S	.	.			trans	-110.5	110	-179.5	-172.3	0	0	0	0	109	T134 C143	T134-C160 HydrophobicContact CG2-CB 4.05Å; T134-C160 VanDerWaalsContact CG2-O 3.26Å; T134-C160 WeakPolarHBondContact CG2-O 3.38Å; C143-C160 HydrophobicContact CB-CB 4.05Å; C143-C160 WeakPolarHBondContact CB-SG 3.4Å; C143-C160 WeakPolarHBondContact SG-CB 3.45Å; C143-C160 CovalentContact SG-SG 2.03Å; C143-C160 PolarHBondContact SG-SG 2.86Å
161	A	96.5	Very high	93.8	Very high	8 Å²	8	49.9 Å²	49.9	7%	0.066	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-77.5	153.9	177.4	0	0	0	0	0	111.4	T134 G144 N163 W227 K228	T134-A161 PolarHBondContact OG1-O 3.09Å; G144-A161 PolarHBondContact N-O 3.42Å; A161-N163 PolarHBondContact O-N 3.08Å; A161-W227 HydrophobicContact CB-CB 4.23Å; A161-K228 VanDerWaalsContact CA-O 3.3Å; A161-K228 WeakPolarHBondContact CA-O 3.33Å; A161-K228 VanDerWaalsContact CB-O 3.24Å; A161-K228 WeakPolarHBondContact CB-O 3.44Å
162	D	96.9	Very high	94.3	Very high	16 Å²	16	49 Å²	49	9%	0.086	28%	0.277	C	S	.	.			trans	-65.9	125.1	172.9	-69.1	-33.5	0	0	0	110.7	A130 T134 L164 K228 G229 L230	A130-D162 HydrophobicContact CB-CB 4.48Å; T134-D162 WeakPolarHBondContact CB-OD1 3.35Å; T134-D162 VanDerWaalsContact OG1-CA 3.23Å; T134-D162 WeakPolarHBondContact OG1-CA 3.15Å; T134-D162 PolarHBondContact OG1-OD1 3.39Å; D162-L164 PolarHBondContact O-N 3.32Å; D162-K228 PolarHBondContact N-O 3.06Å; D162-G229 WeakPolarHBondContact OD2-CA 3.19Å; D162-L230 HydrophobicContact CB-CD1 4.13Å; D162-L230 HydrophobicContact CB-CG 4.12Å; D162-L230 PolarHBondContact OD2-N 2.82Å
163	N	97.4	Very high	94.8	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.102	27%	0.265	C	S	.	.			trans	-81.4	71.2	179.6	-164	-22.5	0	0	0	111	A130 C133 T142 A161 N165 Y166 G167	A130-N163 WeakPolarHBondContact CB-O 3.37Å; C133-N163 HydrophobicContact CB-CB 4.01Å; T142-N163 VanDerWaalsContact O-CB 3.26Å; T142-N163 WeakPolarHBondContact O-CB 3.43Å; T142-N163 PolarHBondContact O-ND2 2.84Å; A161-N163 PolarHBondContact O-N 3.08Å; N163-N165 VanDerWaalsContact C-N 3.26Å; N163-N165 PolarHBondContact O-N 3.19Å; N163-Y166 PolarHBondContact O-N 3.19Å; N163-Y166 WeakPolarHBondContact OD1-CB 3.02Å; N163-Y166 PolarHBondContact OD1-N 3.5Å; N163-G167 PolarHBondContact O-N 3Å
164	L	97.8	Very high	95.4	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-37.4	-176.7	178	59.4	0	0	0	112.3	D162 Y166 G167 L168 L204 R205 L208 L230	D162-L164 PolarHBondContact O-N 3.32Å; L164-Y166 PolarHBondContact O-N 3.49Å; L164-G167 PolarHBondContact O-N 3.35Å; L164-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 HydrophobicContact CD1-CD2 4.28Å; L164-L168 HydrophobicContact CD1-CG 3.76Å; L164-L168 HydrophobicContact CD2-CD1 4.31Å; L164-L168 HydrophobicContact CG-CD1 3.8Å; L164-L168 HydrophobicContact CG-CG 4.08Å; L164-L168 WeakPolarHBondContact O-CB 3.02Å; L164-L168 VanDerWaalsContact O-CG 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.47Å; L164-L168 PolarHBondContact O-N 3.41Å; L164-L204 HydrophobicContact CD1-CD2 3.52Å; L164-L204 HydrophobicContact CD1-CG 3.68Å; L164-R205 HydrophobicContact CD2-CB 4.47Å; L164-R205 HydrophobicContact CD2-CG 4.18Å; L164-L208 HydrophobicContact CB-CD1 4.14Å; L164-L208 HydrophobicContact CD2-CD1 3.87Å; L164-L230 HydrophobicContact CD1-CD1 4.42Å; L164-L230 HydrophobicContact CD1-CD2 4.22Å; L164-L230 HydrophobicContact CD2-CD2 4.41Å
165	N	97.6	Very high	95.9	Very high	109 Å²	109	38.4 Å²	38.4	58%	0.583	20%	0.202	S	C	*	.	H	α-helix	trans	-60.8	-46.4	179.3	-70.8	-23.6	0	0	0	111.8	N163 L168 F169	N163-N165 VanDerWaalsContact C-N 3.26Å; N163-N165 PolarHBondContact O-N 3.19Å; N165-L168 PolarHBondContact O-N 3.04Å; N165-F169 WeakPolarHBondContact O-CB 3.07Å; N165-F169 PolarHBondContact O-N 3Å
166	Y	97.9	Very high	96.2	Very high	45 Å²	45	37.4 Å²	37.4	18%	0.176	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-43.3	175.7	-174.4	-91.6	0	0	0	111.5	I129 C133 L138 T140 C141 N163 L164 L168 F169 M170	I129-Y166 HydrophobicContact CG2-CD1 3.74Å; I129-Y166 HydrophobicContact CG2-CE1 3.8Å; C133-Y166 VanDerWaalsContact SG-CD1 3.57Å; L138-Y166 HydrophobicContact CD2-CE1 3.73Å; T140-Y166 PolarHBondContact OG1-OH 3.12Å; C141-Y166 HydrophobicContact CB-CD1 3.61Å; C141-Y166 HydrophobicContact CB-CD2 3.97Å; C141-Y166 HydrophobicContact CB-CE1 3.67Å; C141-Y166 HydrophobicContact CB-CE2 3.98Å; C141-Y166 HydrophobicContact CB-CG 3.77Å; N163-Y166 PolarHBondContact O-N 3.19Å; N163-Y166 WeakPolarHBondContact OD1-CB 3.02Å; N163-Y166 PolarHBondContact OD1-N 3.5Å; L164-Y166 PolarHBondContact O-N 3.49Å; Y166-L168 PolarHBondContact O-N 2.86Å; Y166-F169 PolarHBondContact O-N 3.33Å; Y166-M170 HydrophobicContact CD1-CG 4.17Å; Y166-M170 HydrophobicContact CD2-CG 4.45Å; Y166-M170 HydrophobicContact CE1-CB 4.41Å; Y166-M170 HydrophobicContact CE1-CG 3.65Å; Y166-M170 HydrophobicContact CE2-CG 4Å; Y166-M170 PolarHBondContact O-N 2.87Å
167	G	98.1	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-44.2	175.9	0	0	0	0	0	113.6	S126 N163 L164 G171	S126-G167 WeakPolarHBondContact CA-O 3.39Å; S126-G167 VanDerWaalsContact CB-O 3.32Å; S126-G167 WeakPolarHBondContact CB-O 3.36Å; S126-G167 WeakPolarHBondContact O-CA 3.29Å; S126-G167 PolarHBondContact OG-O 2.74Å; N163-G167 PolarHBondContact O-N 3Å; L164-G167 PolarHBondContact O-N 3.35Å; G167-G171 WeakPolarHBondContact O-CA 3.2Å; G167-G171 PolarHBondContact O-N 3.05Å
168	L	98.6	Very high	96	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.089	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-43.9	175.6	-72	172.1	0	0	0	111.7	S126 L164 N165 Y166 S172 R201 L204 R205	S126-L168 WeakPolarHBondContact OG-CA 3.4Å; L164-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 HydrophobicContact CD1-CD2 4.28Å; L164-L168 HydrophobicContact CD1-CG 3.76Å; L164-L168 HydrophobicContact CD2-CD1 4.31Å; L164-L168 HydrophobicContact CG-CD1 3.8Å; L164-L168 HydrophobicContact CG-CG 4.08Å; L164-L168 WeakPolarHBondContact O-CB 3.02Å; L164-L168 VanDerWaalsContact O-CG 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.47Å; L164-L168 PolarHBondContact O-N 3.41Å; N165-L168 PolarHBondContact O-N 3.04Å; Y166-L168 PolarHBondContact O-N 2.86Å; L168-S172 VanDerWaalsContact O-CB 3.25Å; L168-S172 WeakPolarHBondContact O-CB 3.43Å; L168-S172 PolarHBondContact O-N 2.89Å; L168-S172 PolarHBondContact O-OG 3.43Å; L168-R201 HydrophobicContact CD2-CB 3.71Å; L168-R201 HydrophobicContact CD2-CG 3.66Å; L168-L204 HydrophobicContact CD2-CD2 4.12Å; L168-R205 HydrophobicContact CD1-CG 3.92Å
169	F	97.9	Very high	95.8	Very high	119 Å²	119	28.6 Å²	28.6	52%	0.522	16%	0.162	S	C	.	.	H	α-helix	trans	-62.6	-55.3	178.9	174.4	-107.2	0	0	0	111.9	N165 Y166 S172 K173	N165-F169 WeakPolarHBondContact O-CB 3.07Å; N165-F169 PolarHBondContact O-N 3Å; Y166-F169 PolarHBondContact O-N 3.33Å; F169-S172 PolarHBondContact O-OG 2.63Å; F169-K173 HydrophobicContact CZ-CD 4.45Å; F169-K173 VanDerWaalsContact O-CB 3.28Å; F169-K173 WeakPolarHBondContact O-CB 3.38Å; F169-K173 PolarHBondContact O-N 3.06Å; F169-K173 VanDerWaalsContact O-N 3.07Å
170	M	97.8	Very high	95.5	Very high	10 Å²	10	32 Å²	32	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-70.7	-39.9	-177.8	-68.3	-54.8	-74.1	0	0	112.1	L65 I129 Y166 K173 F174	L65-M170 HydrophobicContact CD2-CB 4.36Å; L65-M170 HydrophobicContact CD2-CE 3.42Å; L65-M170 VanDerWaalsContact CD2-CE 3.42Å; I129-M170 HydrophobicContact CD1-CB 4.04Å; I129-M170 HydrophobicContact CG2-CB 4.36Å; Y166-M170 HydrophobicContact CD1-CG 4.17Å; Y166-M170 HydrophobicContact CD2-CG 4.45Å; Y166-M170 HydrophobicContact CE1-CB 4.41Å; Y166-M170 HydrophobicContact CE1-CG 3.65Å; Y166-M170 HydrophobicContact CE2-CG 4Å; Y166-M170 PolarHBondContact O-N 2.87Å; M170-K173 PolarHBondContact O-N 3.45Å; M170-F174 PolarHBondContact O-N 2.89Å; M170-F174 VanDerWaalsContact O-N 3.1Å
171	G	97.8	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-52.4	177.3	0	0	0	0	0	112.2	G167 K173 F174 S175	G167-G171 WeakPolarHBondContact O-CA 3.2Å; G167-G171 PolarHBondContact O-N 3.05Å; G171-K173 PolarHBondContact O-N 3.42Å; G171-F174 PolarHBondContact O-N 3.38Å; G171-S175 WeakPolarHBondContact O-CB 3.44Å; G171-S175 PolarHBondContact O-N 2.73Å; G171-S175 PolarHBondContact O-OG 3.08Å
172	S	97.6	Very high	93.2	Very high	24 Å²	24	44 Å²	44	17%	0.168	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-36.7	177.7	65.1	0	0	0	0	113	L168 F169 F174 D176 R201	L168-S172 VanDerWaalsContact O-CB 3.25Å; L168-S172 WeakPolarHBondContact O-CB 3.43Å; L168-S172 PolarHBondContact O-N 2.89Å; L168-S172 PolarHBondContact O-OG 3.43Å; F169-S172 PolarHBondContact O-OG 2.63Å; S172-F174 PolarHBondContact O-N 3.28Å; S172-D176 WeakPolarHBondContact O-CB 3.4Å; S172-D176 PolarHBondContact O-N 3.15Å; S172-R201 VanDerWaalsContact CB-NH1 3.29Å
173	K	96.4	Very high	91.6	Very high	93 Å²	93	54.7 Å²	54.7	40%	0.404	25%	0.246	S	C	.	.	H	α-helix	trans	-59.2	-37.3	175.6	-167	178.7	-171.4	-180	0	111.2	L58 F169 M170 G171 A177	L58-K173 HydrophobicContact CD1-CG 4.14Å; L58-K173 VanDerWaalsContact CD1-O 3.26Å; L58-K173 WeakPolarHBondContact CD1-O 3.08Å; L58-K173 HydrophobicContact CD2-CD 3.79Å; L58-K173 HydrophobicContact CD2-CG 3.87Å; F169-K173 HydrophobicContact CZ-CD 4.45Å; F169-K173 VanDerWaalsContact O-CB 3.28Å; F169-K173 WeakPolarHBondContact O-CB 3.38Å; F169-K173 PolarHBondContact O-N 3.06Å; F169-K173 VanDerWaalsContact O-N 3.07Å; M170-K173 PolarHBondContact O-N 3.45Å; G171-K173 PolarHBondContact O-N 3.42Å; K173-A177 WeakPolarHBondContact O-CB 3.47Å
174	F	96.8	Very high	89.7	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-86.1	-51.6	179.8	-172.2	-90.1	0	0	0	113.8	W27 L30 M51 Q55 L58 M66 I69 I125 M170 G171 S172 D176 A177	W27-F174 HydrophobicContact CB-CE1 3.81Å; W27-F174 HydrophobicContact CB-CZ 4.31Å; W27-F174 HydrophobicContact CD2-CD1 4.47Å; W27-F174 AromaticContact CD2-CE1 3.92Å; W27-F174 HydrophobicContact CD2-CE1 3.92Å; W27-F174 HydrophobicContact CE3-CE1 4.04Å; W27-F174 AromaticContact CG-CE1 3.83Å; W27-F174 HydrophobicContact CG-CE1 3.83Å; L30-F174 HydrophobicContact CD1-CE1 4.5Å; L30-F174 HydrophobicContact CD1-CZ 4.15Å; M51-F174 HydrophobicContact SD-CE2 4.48Å; M51-F174 HydrophobicContact SD-CZ 4.27Å; Q55-F174 HydrophobicContact CB-CD2 4.35Å; Q55-F174 HydrophobicContact CB-CE2 3.78Å; Q55-F174 HydrophobicContact CB-CZ 4.05Å; Q55-F174 HydrophobicContact CG-CD2 4.25Å; Q55-F174 HydrophobicContact CG-CE1 4.42Å; Q55-F174 HydrophobicContact CG-CE2 4.02Å; Q55-F174 HydrophobicContact CG-CZ 4.1Å; Q55-F174 PolarHBondContact NE2-O 3.33Å; L58-F174 HydrophobicContact CB-CD2 4.36Å; L58-F174 HydrophobicContact CD1-CB 4.35Å; L58-F174 HydrophobicContact CD1-CD2 4.2Å; M66-F174 HydrophobicContact CE-CE2 4.45Å; M66-F174 HydrophobicContact SD-CE2 4.34Å; I69-F174 HydrophobicContact CD1-CB 4.43Å; I69-F174 HydrophobicContact CD1-CD1 4.22Å; I69-F174 HydrophobicContact CD1-CD2 3.69Å; I69-F174 HydrophobicContact CD1-CE1 4.42Å; I69-F174 HydrophobicContact CD1-CE2 3.91Å; I69-F174 HydrophobicContact CD1-CG 3.85Å; I69-F174 HydrophobicContact CD1-CZ 4.28Å; I69-F174 HydrophobicContact CG2-CD1 4.11Å; I69-F174 HydrophobicContact CG2-CE1 3.58Å; I69-F174 HydrophobicContact CG2-CE2 4.45Å; I69-F174 HydrophobicContact CG2-CZ 3.78Å; I125-F174 HydrophobicContact CD1-CB 4.09Å; I125-F174 HydrophobicContact CD1-CD1 3.55Å; I125-F174 HydrophobicContact CD1-CE1 4.38Å; I125-F174 HydrophobicContact CD1-CG 4.15Å; M170-F174 PolarHBondContact O-N 2.89Å; M170-F174 VanDerWaalsContact O-N 3.1Å; G171-F174 PolarHBondContact O-N 3.38Å; S172-F174 PolarHBondContact O-N 3.28Å; F174-D176 VanDerWaalsContact C-N 3.32Å; F174-D176 PolarHBondContact O-N 3.25Å; F174-A177 WeakPolarHBondContact O-CB 3.45Å; F174-A177 PolarHBondContact O-N 3.33Å
175	S	95.8	Very high	87.9	Confident	5 Å²	5	54.5 Å²	54.5	4%	0.035	25%	0.25	C	S	.	.	H	α-helix	trans	-66.2	-35.1	-175.9	64.9	0	0	0	0	112.2	G171 P178	G171-S175 WeakPolarHBondContact O-CB 3.44Å; G171-S175 PolarHBondContact O-N 2.73Å; G171-S175 PolarHBondContact O-OG 3.08Å; S175-P178 WeakPolarHBondContact O-CD 3.28Å
176	D	95.1	Very high	86.5	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.027	24%	0.242	C	C	.	.	S	Bend	trans	-91.8	-9.5	-174.2	-55.1	-1	0	0	0	113	S172 F174 P178 M179 K180 L194 R201	S172-D176 WeakPolarHBondContact O-CB 3.4Å; S172-D176 PolarHBondContact O-N 3.15Å; F174-D176 VanDerWaalsContact C-N 3.32Å; F174-D176 PolarHBondContact O-N 3.25Å; D176-P178 VanDerWaalsContact C-CD 3.41Å; D176-M179 VanDerWaalsContact CA-CE 3.5Å; D176-M179 HydrophobicContact CB-CE 4Å; D176-M179 PolarHBondContact O-N 3.29Å; D176-K180 HydrophobicContact CB-CD 4.49Å; D176-K180 PolarHBondContact O-N 2.79Å; D176-L194 HydrophobicContact CB-CD2 3.95Å; D176-R201 IonicContact OD1-CZ 2.79Å; D176-R201 IonicContact OD1-NH1 3.87Å; D176-R201 PolarHBondContact OD1-NH1 2.74Å; D176-R201 IonicContact OD1-NH2 3.09Å; D176-R201 IonicContact OD2-CZ 2.71Å; D176-R201 IonicContact OD2-NH1 3.82Å; D176-R201 PolarHBondContact OD2-NH1 2.86Å; D176-R201 IonicContact OD2-NH2 2.64Å; D176-R201 PolarHBondContact OD2-NH2 2.91Å
177	A	92.9	Very high	85.7	Confident	11 Å²	11	52.7 Å²	52.7	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-52.3	-42.6	-178.6	0	0	0	0	0	114	S54 Q55 L58 K173 F174 M179 K180 M181	S54-A177 WeakPolarHBondContact OG-CB 3.39Å; S54-A177 PolarHBondContact OG-O 3.45Å; Q55-A177 HydrophobicContact CG-CB 4Å; L58-A177 HydrophobicContact CD1-CB 4.41Å; K173-A177 WeakPolarHBondContact O-CB 3.47Å; F174-A177 WeakPolarHBondContact O-CB 3.45Å; F174-A177 PolarHBondContact O-N 3.33Å; A177-M179 VanDerWaalsContact C-N 3.27Å; A177-M179 PolarHBondContact O-N 3.37Å; A177-K180 PolarHBondContact O-N 2.93Å; A177-M181 WeakPolarHBondContact O-CG 3.21Å
178	P	89.1	Confident	85.2	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-29.4	178.2	-17.5	30.2	0	0	0	113.1	V52 Q55 S175 D176 S184	V52-P178 HydrophobicContact CG1-CB 4.17Å; V52-P178 HydrophobicContact CG1-CG 4.36Å; V52-P178 HydrophobicContact CG2-CB 4.02Å; V52-P178 HydrophobicContact CG2-CG 3.78Å; Q55-P178 HydrophobicContact CG-CG 4.49Å; S175-P178 WeakPolarHBondContact O-CD 3.28Å; D176-P178 VanDerWaalsContact C-CD 3.41Å; P178-S184 WeakPolarHBondContact O-CB 3.49Å; P178-S184 PolarHBondContact O-OG 3.11Å
179	M	88.9	Confident	84.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-83.8	-29.5	-177.8	-67.1	170	-66.2	0	0	111.2	Y118 D176 A177 M181 K190 Q193 L194	Y118-M179 HydrophobicContact CD1-SD 4.29Å; Y118-M179 HydrophobicContact CE1-CE 4.45Å; Y118-M179 HydrophobicContact CE1-SD 3.83Å; D176-M179 VanDerWaalsContact CA-CE 3.5Å; D176-M179 HydrophobicContact CB-CE 4Å; D176-M179 PolarHBondContact O-N 3.29Å; A177-M179 VanDerWaalsContact C-N 3.27Å; A177-M179 PolarHBondContact O-N 3.37Å; M179-M181 PolarHBondContact O-N 3.12Å; M179-K190 HydrophobicContact CB-CG 4.28Å; M179-K190 WeakPolarHBondContact O-CD 3.22Å; M179-K190 WeakPolarHBondContact O-CE 3.5Å; M179-K190 PolarHBondContact O-NZ 3.14Å; M179-Q193 HydrophobicContact SD-CB 3.48Å; M179-Q193 WeakPolarHBondContact SD-CB 3.39Å; M179-L194 HydrophobicContact CB-CD1 4.34Å; M179-L194 HydrophobicContact CB-CD2 3.98Å; M179-L194 HydrophobicContact CB-CG 4.06Å; M179-L194 HydrophobicContact CE-CD2 3.84Å; M179-L194 HydrophobicContact CE-CG 4.42Å; M179-L194 HydrophobicContact SD-CD2 4.17Å; M179-L194 HydrophobicContact SD-CG 4.1Å
180	K	84.9	Confident	84.3	Confident	135 Å²	135	50.6 Å²	50.6	59%	0.587	25%	0.246	S	C	*	.	H	α-helix	trans	-74.1	-10.6	177.5	-68.8	178.3	-179.8	174.1	0	114	D176 A177	D176-K180 HydrophobicContact CB-CD 4.49Å; D176-K180 PolarHBondContact O-N 2.79Å; A177-K180 PolarHBondContact O-N 2.93Å
181	M	77.4	Confident	84	Confident	75 Å²	75	53.2 Å²	53.2	37%	0.369	26%	0.26	S	S	.	.	S	Bend	trans	-70.2	142	176.1	-64.8	179.2	72.5	0	0	112.6	V52 A177 M179 R183 S184	V52-M181 HydrophobicContact CG2-SD 4.3Å; A177-M181 WeakPolarHBondContact O-CG 3.21Å; M179-M181 PolarHBondContact O-N 3.12Å; M181-R183 PolarHBondContact O-N 2.65Å; M181-S184 PolarHBondContact O-N 3.09Å
182	K	65.4	Low	83.8	Confident	217 Å²	217	53.2 Å²	53.2	94%	0.943	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.7	-179	-71.3	-174.8	177.9	-179	0	114.5
183	R	62.5	Low	83.6	Confident	241 Å²	241	52.1 Å²	52.1	91%	0.909	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	12.6	-175.8	-63.3	-178	118.5	156.2	0.8	114.4	M181	M181-R183 PolarHBondContact O-N 2.65Å
184	S	57.5	Low	83.5	Confident	18 Å²	18	49.8 Å²	49.8	13%	0.126	24%	0.243	C	C	.	.			trans	-98	108.7	-168	-165.1	0	0	0	0	113.1	P178 M181	P178-S184 WeakPolarHBondContact O-CB 3.49Å; P178-S184 PolarHBondContact O-OG 3.11Å; M181-S184 PolarHBondContact O-N 3.09Å
185	G	60.9	Low	83.4	Confident	14 Å²	14	51.8 Å²	51.8	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	65.3	171.4	161.5	0	0	0	0	0	117.4	Q20 S187	Q20-G185 PolarHBondContact OE1-O 3.1Å; G185-S187 PolarHBondContact O-N 3Å
186	S	67.3	Low	83.5	Confident	58 Å²	58	51.5 Å²	51.5	41%	0.406	25%	0.251	S	S	.	.			trans	-57.5	135.6	165.5	168	0	0	0	0	109.2	Q20 A188 N189 K190	Q20-S186 VanDerWaalsContact OE1-N 3.11Å; S186-A188 PolarHBondContact O-N 3.19Å; S186-A188 VanDerWaalsContact O-N 3.08Å; S186-A188 PolarHBondContact OG-N 3.16Å; S186-N189 PolarHBondContact O-N 3.14Å; S186-N189 VanDerWaalsContact O-N 3.16Å; S186-K190 PolarHBondContact O-N 3.34Å; S186-K190 VanDerWaalsContact O-N 3.07Å
187	S	80.3	Confident	83.6	Confident	58 Å²	58	51.4 Å²	51.4	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-56.5	-29.9	179.9	-167.5	0	0	0	0	112.2	G185 L191 Y252	G185-S187 PolarHBondContact O-N 3Å; S187-L191 WeakPolarHBondContact O-CB 3.45Å; S187-L191 WeakPolarHBondContact O-CD1 3.49Å; S187-L191 WeakPolarHBondContact O-CG 3.45Å; S187-L191 PolarHBondContact O-N 3Å; S187-L191 VanDerWaalsContact O-N 3.16Å; S187-Y252 WeakPolarHBondContact CB-OH 3.46Å; S187-Y252 PolarHBondContact OG-OH 3.17Å; S187-Y252 VanDerWaalsContact OG-OH 3.09Å
188	A	88.9	Confident	83.9	Confident	8 Å²	8	54.2 Å²	54.2	7%	0.066	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-52.2	177.1	0	0	0	0	0	112.3	S186 K190 L191 M192 Y252 L261 L279	S186-A188 PolarHBondContact O-N 3.19Å; S186-A188 VanDerWaalsContact O-N 3.08Å; S186-A188 PolarHBondContact OG-N 3.16Å; A188-K190 VanDerWaalsContact C-N 3.3Å; A188-K190 PolarHBondContact O-N 3.01Å; A188-L191 PolarHBondContact O-N 3.45Å; A188-M192 WeakPolarHBondContact O-CB 3.49Å; A188-M192 PolarHBondContact O-N 3.15Å; A188-Y252 HydrophobicContact CB-CD1 4.01Å; A188-Y252 HydrophobicContact CB-CD2 4.03Å; A188-Y252 HydrophobicContact CB-CG 3.67Å; A188-L261 HydrophobicContact CB-CD2 4.35Å; A188-L279 HydrophobicContact CB-CD1 3.99Å; A188-L279 HydrophobicContact CB-CD2 4.29Å
189	N	88.4	Confident	84.3	Confident	29 Å²	29	54.2 Å²	54.2	16%	0.155	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-42.2	179.6	-86.1	-17.9	0	0	0	111.3	S186 M192 Q193 L279	S186-N189 PolarHBondContact O-N 3.14Å; S186-N189 VanDerWaalsContact O-N 3.16Å; N189-M192 PolarHBondContact O-N 2.95Å; N189-Q193 WeakPolarHBondContact O-CB 3.39Å; N189-Q193 WeakPolarHBondContact O-CG 3.41Å; N189-Q193 PolarHBondContact O-N 3.29Å; N189-L279 WeakPolarHBondContact OD1-CD1 3.07Å
190	K	89.1	Confident	84.8	Confident	55 Å²	55	54.1 Å²	54.1	24%	0.239	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-46.6	176.6	169.9	175.6	160.9	164.8	0	112.2	M179 S186 A188 Q193 L194	M179-K190 HydrophobicContact CB-CG 4.28Å; M179-K190 WeakPolarHBondContact O-CD 3.22Å; M179-K190 WeakPolarHBondContact O-CE 3.5Å; M179-K190 PolarHBondContact O-NZ 3.14Å; S186-K190 PolarHBondContact O-N 3.34Å; S186-K190 VanDerWaalsContact O-N 3.07Å; A188-K190 VanDerWaalsContact C-N 3.3Å; A188-K190 PolarHBondContact O-N 3.01Å; K190-Q193 PolarHBondContact O-N 3.39Å; K190-L194 HydrophobicContact CG-CD1 4.1Å; K190-L194 WeakPolarHBondContact O-CG 3.46Å; K190-L194 PolarHBondContact O-N 3.01Å
191	L	91.1	Very high	85.4	Confident	65 Å²	65	48.3 Å²	48.3	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-44.1	178.2	-73.8	168.9	0	0	0	111.4	S187 A188 Q193 L194 H195 Y252 L261	S187-L191 WeakPolarHBondContact O-CB 3.45Å; S187-L191 WeakPolarHBondContact O-CD1 3.49Å; S187-L191 WeakPolarHBondContact O-CG 3.45Å; S187-L191 PolarHBondContact O-N 3Å; S187-L191 VanDerWaalsContact O-N 3.16Å; A188-L191 PolarHBondContact O-N 3.45Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.92Å; L191-L194 PolarHBondContact O-N 3.09Å; L191-H195 WeakPolarHBondContact O-CB 3.44Å; L191-H195 PolarHBondContact O-N 3.47Å; L191-Y252 HydrophobicContact CD1-CD2 4.41Å; L191-Y252 HydrophobicContact CD1-CE2 3.62Å; L191-L261 HydrophobicContact CB-CD1 3.72Å; L191-L261 HydrophobicContact CB-CG 4.24Å
192	M	93.3	Very high	86.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-44.3	178.7	-174.1	-154.3	71.3	0	0	111.1	A188 N189 H195 N196 L261 I277 L279	A188-M192 WeakPolarHBondContact O-CB 3.49Å; A188-M192 PolarHBondContact O-N 3.15Å; N189-M192 PolarHBondContact O-N 2.95Å; M192-H195 WeakPolarHBondContact O-CB 3.42Å; M192-H195 PolarHBondContact O-N 3.1Å; M192-N196 WeakPolarHBondContact O-CB 3.26Å; M192-N196 VanDerWaalsContact O-CG 3.26Å; M192-N196 PolarHBondContact O-N 2.79Å; M192-N196 PolarHBondContact O-ND2 3.34Å; M192-N196 VanDerWaalsContact O-ND2 3.1Å; M192-L261 HydrophobicContact CB-CD1 3.85Å; M192-I277 HydrophobicContact CG-CD1 4.32Å; M192-I277 HydrophobicContact CG-CG1 3.87Å; M192-I277 WeakPolarHBondContact CG-O 3.39Å; M192-L279 HydrophobicContact CB-CD1 4.04Å; M192-L279 HydrophobicContact CB-CG 4.46Å; M192-L279 HydrophobicContact CG-CD1 4.36Å; M192-L279 HydrophobicContact CG-CG 4.38Å; M192-L279 HydrophobicContact SD-CB 4.2Å; M192-L279 HydrophobicContact SD-CD1 3.78Å; M192-L279 HydrophobicContact SD-CG 3.79Å
193	Q	93.4	Very high	88	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-68.4	-43	180	-72.4	167.9	20.4	0	0	113	C22 Y118 M179 N189 K190 L191 H195 N196 S197	C22-Q193 PolarHBondContact SG-NE2 3.42Å; C22-Q193 PolarHBondContact SG-OE1 3.44Å; Y118-Q193 HydrophobicContact CD1-CB 3.61Å; Y118-Q193 HydrophobicContact CD1-CG 3.79Å; Y118-Q193 HydrophobicContact CD2-CG 4.17Å; Y118-Q193 HydrophobicContact CE1-CB 3.54Å; Y118-Q193 VanDerWaalsContact CE1-CD 3.46Å; Y118-Q193 HydrophobicContact CE1-CG 3.49Å; Y118-Q193 VanDerWaalsContact CE1-CG 3.49Å; Y118-Q193 HydrophobicContact CE2-CG 3.91Å; Y118-Q193 HydrophobicContact CG-CB 4.25Å; Y118-Q193 HydrophobicContact CG-CG 4.1Å; Y118-Q193 PolarHBondContact OH-NE2 2.95Å; Y118-Q193 PolarHBondContact OH-OE1 3.43Å; M179-Q193 HydrophobicContact SD-CB 3.48Å; M179-Q193 WeakPolarHBondContact SD-CB 3.39Å; N189-Q193 WeakPolarHBondContact O-CB 3.39Å; N189-Q193 WeakPolarHBondContact O-CG 3.41Å; N189-Q193 PolarHBondContact O-N 3.29Å; K190-Q193 PolarHBondContact O-N 3.39Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.92Å; Q193-H195 VanDerWaalsContact C-N 3.3Å; Q193-H195 PolarHBondContact O-N 3.07Å; Q193-N196 PolarHBondContact O-N 2.82Å; Q193-S197 WeakPolarHBondContact O-CB 3.26Å; Q193-S197 PolarHBondContact O-N 3.47Å; Q193-S197 PolarHBondContact O-OG 3.49Å
194	L	94.3	Very high	89.7	Confident	43 Å²	43	26.2 Å²	26.2	23%	0.225	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-41	174.9	-75.7	168.7	0	0	0	111.5	D176 M179 K190 L191 S197 E198	D176-L194 HydrophobicContact CB-CD2 3.95Å; M179-L194 HydrophobicContact CB-CD1 4.34Å; M179-L194 HydrophobicContact CB-CD2 3.98Å; M179-L194 HydrophobicContact CB-CG 4.06Å; M179-L194 HydrophobicContact CE-CD2 3.84Å; M179-L194 HydrophobicContact CE-CG 4.42Å; M179-L194 HydrophobicContact SD-CD2 4.17Å; M179-L194 HydrophobicContact SD-CG 4.1Å; K190-L194 HydrophobicContact CG-CD1 4.1Å; K190-L194 WeakPolarHBondContact O-CG 3.46Å; K190-L194 PolarHBondContact O-N 3.01Å; L191-L194 PolarHBondContact O-N 3.09Å; L194-S197 PolarHBondContact O-N 2.96Å; L194-E198 PolarHBondContact O-N 2.67Å; L194-E198 VanDerWaalsContact O-N 3.08Å
195	H	95.4	Very high	91.6	Very high	46 Å²	46	29.8 Å²	29.8	21%	0.213	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-53.4	173.6	179.4	92.8	0	0	0	111.2	L191 M192 Q193 S197 E198 V199 E275 I277	L191-H195 WeakPolarHBondContact O-CB 3.44Å; L191-H195 PolarHBondContact O-N 3.47Å; M192-H195 WeakPolarHBondContact O-CB 3.42Å; M192-H195 PolarHBondContact O-N 3.1Å; Q193-H195 VanDerWaalsContact C-N 3.3Å; Q193-H195 PolarHBondContact O-N 3.07Å; H195-S197 VanDerWaalsContact C-N 3.33Å; H195-S197 PolarHBondContact O-N 3.32Å; H195-E198 CarbonylContact O-C 3.56Å; H195-E198 WeakPolarHBondContact O-CA 3.42Å; H195-E198 WeakPolarHBondContact O-CB 3.37Å; H195-E198 PolarHBondContact O-N 3.36Å; H195-V199 WeakPolarHBondContact O-CG2 3.35Å; H195-V199 PolarHBondContact O-N 3.35Å; H195-E275 PolarHBondContact NE2-O 2.94Å; H195-I277 HydrophobicContact CB-CD1 3.93Å; H195-I277 HydrophobicContact CB-CG1 4.45Å
196	N	97.8	Very high	93.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-35	-178.5	-67.7	-34.3	0	0	0	112.7	A115 A119 M192 Q193 E198 V199 G200 M276 I277	A115-N196 WeakPolarHBondContact CA-ND2 3.23Å; A115-N196 WeakPolarHBondContact CB-ND2 3.13Å; A119-N196 VanDerWaalsContact CA-O 3.22Å; A119-N196 WeakPolarHBondContact CA-O 3.49Å; A119-N196 WeakPolarHBondContact CB-O 3.43Å; M192-N196 WeakPolarHBondContact O-CB 3.26Å; M192-N196 VanDerWaalsContact O-CG 3.26Å; M192-N196 PolarHBondContact O-N 2.79Å; M192-N196 PolarHBondContact O-ND2 3.34Å; M192-N196 VanDerWaalsContact O-ND2 3.1Å; Q193-N196 PolarHBondContact O-N 2.82Å; N196-E198 VanDerWaalsContact C-N 3.28Å; N196-E198 PolarHBondContact O-N 3.06Å; N196-V199 WeakPolarHBondContact O-CB 2.99Å; N196-V199 PolarHBondContact O-N 3.08Å; N196-G200 PolarHBondContact O-N 1.99Å; N196-M276 WeakPolarHBondContact OD1-CG 3.5Å; N196-I277 PolarHBondContact ND2-O 2.74Å; N196-I277 PolarHBondContact OD1-N 3.05Å; N196-I277 PolarHBondContact OD1-O 2.76Å
197	S	97.8	Very high	94.7	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-39.5	169.9	-72.8	0	0	0	0	111.9	A122 Q193 L194 H195 G200 R201	A122-S197 VanDerWaalsContact CB-O 3.25Å; A122-S197 WeakPolarHBondContact CB-O 2.82Å; Q193-S197 WeakPolarHBondContact O-CB 3.26Å; Q193-S197 PolarHBondContact O-N 3.47Å; Q193-S197 PolarHBondContact O-OG 3.49Å; L194-S197 PolarHBondContact O-N 2.96Å; H195-S197 VanDerWaalsContact C-N 3.33Å; H195-S197 PolarHBondContact O-N 3.32Å; S197-G200 PolarHBondContact O-N 2.87Å; S197-R201 PolarHBondContact O-N 3.06Å; S197-R201 VanDerWaalsContact O-N 3.07Å
198	E	97.7	Very high	95.5	Very high	70 Å²	70	31.8 Å²	31.8	33%	0.327	15%	0.152	S	C	.	.	H	α-helix	trans	-71.6	-37.5	176.6	-168.8	55.6	-149.2	0	0	112.5	L194 H195 N196 G200 R201 Q202 R205	L194-E198 PolarHBondContact O-N 2.67Å; L194-E198 VanDerWaalsContact O-N 3.08Å; H195-E198 CarbonylContact O-C 3.56Å; H195-E198 WeakPolarHBondContact O-CA 3.42Å; H195-E198 WeakPolarHBondContact O-CB 3.37Å; H195-E198 PolarHBondContact O-N 3.36Å; N196-E198 VanDerWaalsContact C-N 3.28Å; N196-E198 PolarHBondContact O-N 3.06Å; E198-G200 PolarHBondContact O-N 3.33Å; E198-R201 CarbonylContact O-C 3.59Å; E198-R201 PolarHBondContact O-N 2.86Å; E198-R201 VanDerWaalsContact O-N 3.1Å; E198-R201 IonicContact OE2-CZ 2.99Å; E198-R201 IonicContact OE2-NE 2.89Å; E198-R201 PolarHBondContact OE2-NE 3.45Å; E198-R201 IonicContact OE2-NH2 2.86Å; E198-R201 PolarHBondContact OE2-NH2 2.95Å; E198-Q202 WeakPolarHBondContact O-CB 3.43Å; E198-Q202 PolarHBondContact O-N 2.82Å; E198-R205 IonicContact OE1-CZ 2.82Å; E198-R205 VanDerWaalsContact OE1-CZ 3.28Å; E198-R205 IonicContact OE1-NH1 3.06Å; E198-R205 PolarHBondContact OE1-NH1 3Å; E198-R205 IonicContact OE1-NH2 3.38Å; E198-R205 PolarHBondContact OE1-NH2 3.22Å
199	V	98.4	Very high	95.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-55	-42.7	169.9	173.9	0	0	0	0	110.6	H195 N196 Q202 A203 K243 E273	H195-V199 WeakPolarHBondContact O-CG2 3.35Å; H195-V199 PolarHBondContact O-N 3.35Å; N196-V199 WeakPolarHBondContact O-CB 2.99Å; N196-V199 PolarHBondContact O-N 3.08Å; V199-Q202 PolarHBondContact O-N 3.4Å; V199-A203 PolarHBondContact O-N 3.04Å; V199-K243 HydrophobicContact CG1-CD 3.73Å; V199-E273 WeakPolarHBondContact CG2-O 3.44Å
200	G	98.6	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-46.9	173.8	0	0	0	0	0	113.6	A119 A123 N196 S197 E198 Q202 A203 L204	A119-G200 WeakPolarHBondContact O-CA 3.29Å; A123-G200 WeakPolarHBondContact CB-O 3.43Å; N196-G200 PolarHBondContact O-N 1.99Å; S197-G200 PolarHBondContact O-N 2.87Å; E198-G200 PolarHBondContact O-N 3.33Å; G200-Q202 VanDerWaalsContact C-N 3.31Å; G200-Q202 PolarHBondContact O-N 2.79Å; G200-A203 PolarHBondContact O-N 3.06Å; G200-L204 PolarHBondContact O-N 3.07Å; G200-L204 VanDerWaalsContact O-N 3.09Å
201	R	98.6	Very high	96.3	Very high	13 Å²	13	36.4 Å²	36.4	5%	0.049	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-32.4	177.2	-74.7	-173.2	-71.1	-108.4	6.5	112.7	A122 L168 S172 D176 S197 E198 L204 R205	A122-R201 HydrophobicContact CB-CG 4.26Å; L168-R201 HydrophobicContact CD2-CB 3.71Å; L168-R201 HydrophobicContact CD2-CG 3.66Å; S172-R201 VanDerWaalsContact CB-NH1 3.29Å; D176-R201 IonicContact OD1-CZ 2.79Å; D176-R201 IonicContact OD1-NH1 3.87Å; D176-R201 PolarHBondContact OD1-NH1 2.74Å; D176-R201 IonicContact OD1-NH2 3.09Å; D176-R201 IonicContact OD2-CZ 2.71Å; D176-R201 IonicContact OD2-NH1 3.82Å; D176-R201 PolarHBondContact OD2-NH1 2.86Å; D176-R201 IonicContact OD2-NH2 2.64Å; D176-R201 PolarHBondContact OD2-NH2 2.91Å; S197-R201 PolarHBondContact O-N 3.06Å; S197-R201 VanDerWaalsContact O-N 3.07Å; E198-R201 CarbonylContact O-C 3.59Å; E198-R201 PolarHBondContact O-N 2.86Å; E198-R201 VanDerWaalsContact O-N 3.1Å; E198-R201 IonicContact OE2-CZ 2.99Å; E198-R201 IonicContact OE2-NE 2.89Å; E198-R201 PolarHBondContact OE2-NE 3.45Å; E198-R201 IonicContact OE2-NH2 2.86Å; E198-R201 PolarHBondContact OE2-NH2 2.95Å; R201-L204 WeakPolarHBondContact O-CB 3.29Å; R201-L204 PolarHBondContact O-N 3.43Å; R201-R205 WeakPolarHBondContact O-CG 3.47Å; R201-R205 PolarHBondContact O-N 2.82Å
202	Q	98.1	Very high	96.4	Very high	65 Å²	65	35.7 Å²	35.7	30%	0.304	18%	0.175	S	C	.	.	H	α-helix	trans	-67.7	-46.4	175.4	-175.5	58.7	21.1	0	0	111.5	E198 V199 G200 L204 R205 E206	E198-Q202 WeakPolarHBondContact O-CB 3.43Å; E198-Q202 PolarHBondContact O-N 2.82Å; V199-Q202 PolarHBondContact O-N 3.4Å; G200-Q202 VanDerWaalsContact C-N 3.31Å; G200-Q202 PolarHBondContact O-N 2.79Å; Q202-L204 PolarHBondContact O-N 3.44Å; Q202-R205 WeakPolarHBondContact O-CB 3.3Å; Q202-R205 PolarHBondContact O-N 3.1Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.26Å; Q202-E206 PolarHBondContact NE2-OE1 3.25Å; Q202-E206 PolarHBondContact O-N 2.96Å; Q202-E206 VanDerWaalsContact O-N 3.07Å
203	A	98.1	Very high	96.4	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-36.9	172.6	0	0	0	0	0	111.7	V199 G200 E206 A207 L240	V199-A203 PolarHBondContact O-N 3.04Å; G200-A203 PolarHBondContact O-N 3.06Å; A203-E206 PolarHBondContact O-N 3.32Å; A203-A207 WeakPolarHBondContact O-CB 3.37Å; A203-A207 PolarHBondContact O-N 3.37Å; A203-L240 HydrophobicContact CB-CD2 3.7Å; A203-L240 HydrophobicContact CB-CG 4.33Å
204	L	98.3	Very high	96.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-38	175	-175.8	67.4	0	0	0	113.3	A123 S126 H127 L164 L168 G200 R201 Q202 E206 A207 L230 I236	A123-L204 HydrophobicContact CB-CB 4.47Å; A123-L204 WeakPolarHBondContact O-CD2 3.49Å; S126-L204 VanDerWaalsContact CB-CD2 3.44Å; H127-L204 HydrophobicContact CB-CD1 3.77Å; H127-L204 HydrophobicContact CB-CD2 4.38Å; L164-L204 HydrophobicContact CD1-CD2 3.52Å; L164-L204 HydrophobicContact CD1-CG 3.68Å; L168-L204 HydrophobicContact CD2-CD2 4.12Å; G200-L204 PolarHBondContact O-N 3.07Å; G200-L204 VanDerWaalsContact O-N 3.09Å; R201-L204 WeakPolarHBondContact O-CB 3.29Å; R201-L204 PolarHBondContact O-N 3.43Å; Q202-L204 PolarHBondContact O-N 3.44Å; L204-E206 VanDerWaalsContact C-N 3.33Å; L204-A207 PolarHBondContact O-N 3.3Å; L204-L230 HydrophobicContact CD1-CD1 4.17Å; L204-L230 HydrophobicContact CD1-CD2 3.67Å; L204-L230 HydrophobicContact CD1-CG 4.48Å; L204-L230 HydrophobicContact CG-CD2 4.13Å; L204-I236 HydrophobicContact CD1-CD1 3.66Å
205	R	97.8	Very high	96.2	Very high	93 Å²	93	46.4 Å²	46.4	35%	0.351	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-40.2	174.4	-68.1	178.1	-164.6	104.7	3.4	111.6	L164 L168 E198 R201 Q202 A207	L164-R205 HydrophobicContact CD2-CB 4.47Å; L164-R205 HydrophobicContact CD2-CG 4.18Å; L168-R205 HydrophobicContact CD1-CG 3.92Å; E198-R205 IonicContact OE1-CZ 2.82Å; E198-R205 VanDerWaalsContact OE1-CZ 3.28Å; E198-R205 IonicContact OE1-NH1 3.06Å; E198-R205 PolarHBondContact OE1-NH1 3Å; E198-R205 IonicContact OE1-NH2 3.38Å; E198-R205 PolarHBondContact OE1-NH2 3.22Å; R201-R205 WeakPolarHBondContact O-CG 3.47Å; R201-R205 PolarHBondContact O-N 2.82Å; Q202-R205 WeakPolarHBondContact O-CB 3.3Å; Q202-R205 PolarHBondContact O-N 3.1Å; R205-A207 VanDerWaalsContact C-N 3.25Å; R205-A207 PolarHBondContact O-N 2.97Å
206	E	97.1	Very high	95.7	Very high	104 Å²	104	44.9 Å²	44.9	49%	0.486	22%	0.222	S	C	.	.	H	α-helix	trans	-71	-22	178.3	-68.7	166.6	-166.2	0	0	112.2	Q202 A203 L204 L208	Q202-E206 WeakPolarHBondContact CG-OE1 3.26Å; Q202-E206 PolarHBondContact NE2-OE1 3.25Å; Q202-E206 PolarHBondContact O-N 2.96Å; Q202-E206 VanDerWaalsContact O-N 3.07Å; A203-E206 PolarHBondContact O-N 3.32Å; L204-E206 VanDerWaalsContact C-N 3.33Å; E206-L208 VanDerWaalsContact C-N 3.27Å; E206-L208 PolarHBondContact O-N 3.1Å
207	A	97.3	Very high	95.4	Very high	5 Å²	5	50.9 Å²	50.9	4%	0.041	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	6.8	178.5	0	0	0	0	0	115	A203 L204 R205 V209 Q231 I236	A203-A207 WeakPolarHBondContact O-CB 3.37Å; A203-A207 PolarHBondContact O-N 3.37Å; L204-A207 PolarHBondContact O-N 3.3Å; R205-A207 VanDerWaalsContact C-N 3.25Å; R205-A207 PolarHBondContact O-N 2.97Å; A207-V209 PolarHBondContact O-N 3.04Å; A207-Q231 HydrophobicContact CB-CB 4.29Å; A207-Q231 WeakPolarHBondContact O-CG 3.47Å; A207-Q231 PolarHBondContact O-N 3.47Å; A207-I236 HydrophobicContact CB-CD1 3.83Å; A207-I236 HydrophobicContact CB-CG1 3.63Å
208	L	95.6	Very high	95	Very high	62 Å²	62	57 Å²	57	33%	0.325	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.2	177.1	-149.8	90.4	0	0	0	109.9	L164 E206 K228 L230	L164-L208 HydrophobicContact CB-CD1 4.14Å; L164-L208 HydrophobicContact CD2-CD1 3.87Å; E206-L208 VanDerWaalsContact C-N 3.27Å; E206-L208 PolarHBondContact O-N 3.1Å; L208-K228 HydrophobicContact CD2-CB 3.63Å; L208-K228 HydrophobicContact CD2-CD 4.34Å; L208-K228 HydrophobicContact CD2-CG 4.06Å; L208-K228 HydrophobicContact CG-CB 4.07Å; L208-L230 HydrophobicContact CD1-CD2 3.71Å; L208-L230 HydrophobicContact CD1-CG 4.11Å
209	V	95.4	Very high	94.3	Very high	46 Å²	46	56.5 Å²	56.5	28%	0.279	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	158.2	-177.6	-65.7	0	0	0	0	111.9	A207 K211 K228 G229 Q231	A207-V209 PolarHBondContact O-N 3.04Å; V209-K211 HydrophobicContact CG2-CG 4.32Å; V209-K211 PolarHBondContact O-N 3.48Å; V209-K228 WeakPolarHBondContact O-CA 3.19Å; V209-G229 WeakPolarHBondContact CG2-O 3.45Å; V209-G229 PolarHBondContact N-O 3.47Å; V209-G229 PolarHBondContact O-N 3.15Å; V209-G229 VanDerWaalsContact O-O 3.1Å; V209-Q231 HydrophobicContact CG1-CG 3.73Å; V209-Q231 HydrophobicContact CG2-CG 3.92Å
210	M	93.3	Very high	93.9	Very high	77 Å²	77	59 Å²	59	38%	0.379	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122.7	169.9	-171.6	-164.8	-69.4	0	0	109.2	Y155 W157 C226	Y155-M210 HydrophobicContact CE1-CE 4.42Å; Y155-M210 HydrophobicContact CE2-CE 4.05Å; Y155-M210 HydrophobicContact CE2-SD 4.39Å; W157-M210 HydrophobicContact CH2-CE 3.82Å; W157-M210 HydrophobicContact CH2-CG 4.3Å; W157-M210 HydrophobicContact CZ2-CE 4.38Å; W157-M210 HydrophobicContact CZ3-CG 4.28Å; M210-C226 HydrophobicContact CG-CB 3.89Å; M210-C226 HydrophobicContact SD-CB 4.09Å
211	K	94.1	Very high	93.5	Very high	67 Å²	67	62.6 Å²	62.6	29%	0.291	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.1	169.8	-63.8	-171.3	-178.4	179.9	0	108.7	V209 C226 W227 L230	V209-K211 HydrophobicContact CG2-CG 4.32Å; V209-K211 PolarHBondContact O-N 3.48Å; K211-C226 CarbonylContact O-C 3.02Å; K211-C226 WeakPolarHBondContact O-CA 3.42Å; K211-C226 WeakPolarHBondContact O-CB 3.21Å; K211-W227 HydrophobicContact CB-CD2 4.47Å; K211-W227 HydrophobicContact CB-CZ2 4.22Å; K211-W227 PolarHBondContact N-O 2.88Å; K211-W227 PolarHBondContact O-N 2.82Å; K211-L230 VanDerWaalsContact CE-O 3.24Å; K211-L230 WeakPolarHBondContact CE-O 3.37Å; K211-L230 PolarHBondContact NZ-O 2.76Å
212	C	93.6	Very high	93.1	Very high	50 Å²	50	66.2 Å²	66.2	34%	0.338	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.9	-176.3	-58.8	0	0	0	0	111.9	R224 T225 C226	C212-R224 HydrophobicContact CB-CG 4.41Å; C212-T225 CarbonylContact C-O 3.52Å; C212-T225 VanDerWaalsContact CA-O 3.32Å; C212-T225 WeakPolarHBondContact CA-O 3.4Å; C212-C226 HydrophobicContact CB-CB 4.09Å; C212-C226 WeakPolarHBondContact CB-SG 3.39Å; C212-C226 WeakPolarHBondContact SG-CB 3.25Å; C212-C226 CovalentContact SG-SG 2.04Å; C212-C226 PolarHBondContact SG-SG 3.01Å
213	K	93.4	Very high	92.6	Very high	128 Å²	128	66.8 Å²	66.8	56%	0.557	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.4	168.5	-173.9	173.6	-179.1	177.4	0	109.9	H215 R224 T225 W227	K213-H215 PolarHBondContact O-CD2 2.88Å; K213-H215 VanDerWaalsContact O-CD2 3.26Å; K213-R224 CarbonylContact O-C 3.6Å; K213-R224 WeakPolarHBondContact O-CA 3.38Å; K213-R224 WeakPolarHBondContact O-CB 2.98Å; K213-T225 PolarHBondContact N-O 2.93Å; K213-T225 PolarHBondContact O-N 3.38Å; K213-W227 HydrophobicContact CB-CH2 4Å; K213-W227 HydrophobicContact CB-CZ3 3.98Å
214	C	93.4	Very high	92.3	Very high	44 Å²	44	71.1 Å²	71.1	30%	0.297	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	142.2	178.7	-62.7	0	0	0	0	111.7	C221	C214-C221 HydrophobicContact CB-CB 3.83Å; C214-C221 WeakPolarHBondContact CB-SG 3.42Å; C214-C221 WeakPolarHBondContact SG-CB 3.35Å; C214-C221 CovalentContact SG-SG 2.03Å; C214-C221 PolarHBondContact SG-SG 3.35Å
215	H	89.5	Confident	92.1	Very high	97 Å²	97	71.8 Å²	71.8	45%	0.449	41%	0.408	S	S	.	.			trans	-133.5	20.6	-173.3	-64.3	-75.1	0	0	0	114.1	K213 I223 T225	K213-H215 PolarHBondContact O-CD2 2.88Å; K213-H215 VanDerWaalsContact O-CD2 3.26Å; H215-I223 HydrophobicContact CB-CG2 4.15Å; H215-I223 PolarHBondContact N-O 3.07Å; H215-T225 PolarHBondContact CD2-OG1 3.05Å; H215-T225 PolarHBondContact NE2-OG1 3.2Å
216	G	86.3	Confident	92	Very high	13 Å²	13	67.3 Å²	67.3	13%	0.134	39%	0.392	C	S	.	.	S	Bend	trans	-81.1	166	178.1	0	0	0	0	0	113.9	S218 G219 S220	G216-S218 PolarHBondContact O-N 2.98Å; G216-G219 PolarHBondContact O-N 2.94Å; G216-S220 VanDerWaalsContact C-OG 3.24Å; G216-S220 WeakPolarHBondContact CA-O 3.33Å; G216-S220 VanDerWaalsContact CA-OG 3.29Å; G216-S220 WeakPolarHBondContact CA-OG 3.5Å; G216-S220 PolarHBondContact N-O 3.01Å; G216-S220 PolarHBondContact O-N 3.17Å
217	V	91.8	Very high	91.9	Very high	126 Å²	126	65.5 Å²	65.5	76%	0.764	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-53	134.6	176.1	-176.9	0	0	0	0	109.5	G219 S220	V217-G219 PolarHBondContact O-N 2.95Å; V217-S220 PolarHBondContact N-OG 3.45Å; V217-S220 WeakPolarHBondContact O-CB 3.37Å; V217-S220 PolarHBondContact O-N 3.11Å; V217-S220 VanDerWaalsContact O-N 3.13Å; V217-S220 PolarHBondContact O-OG 3.32Å
218	S	87.8	Confident	91.8	Very high	131 Å²	131	67.8 Å²	67.8	92%	0.916	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	56	28.1	-176.9	-54.3	0	0	0	0	114.7	G216	G216-S218 PolarHBondContact O-N 2.98Å
219	G	83.6	Confident	91.8	Very high	61 Å²	61	64.9 Å²	64.9	63%	0.629	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	81.5	11.8	179.4	0	0	0	0	0	114.5	G216 V217	G216-G219 PolarHBondContact O-N 2.94Å; V217-G219 PolarHBondContact O-N 2.95Å
220	S	89.8	Confident	91.9	Very high	52 Å²	52	62.7 Å²	62.7	36%	0.364	36%	0.361	S	S	.	.			trans	-63.2	157.9	174.4	57.2	0	0	0	0	112.3	G216 V217	G216-S220 VanDerWaalsContact C-OG 3.24Å; G216-S220 WeakPolarHBondContact CA-O 3.33Å; G216-S220 VanDerWaalsContact CA-OG 3.29Å; G216-S220 WeakPolarHBondContact CA-OG 3.5Å; G216-S220 PolarHBondContact N-O 3.01Å; G216-S220 PolarHBondContact O-N 3.17Å; V217-S220 PolarHBondContact N-OG 3.45Å; V217-S220 WeakPolarHBondContact O-CB 3.37Å; V217-S220 PolarHBondContact O-N 3.11Å; V217-S220 VanDerWaalsContact O-N 3.13Å; V217-S220 PolarHBondContact O-OG 3.32Å
221	C	91.2	Very high	92.1	Very high	76 Å²	76	62.3 Å²	62.3	51%	0.514	36%	0.358	S	S	.	.			trans	-99.8	27.1	179.5	-65.8	0	0	0	0	113.3	C214 I223	C214-C221 HydrophobicContact CB-CB 3.83Å; C214-C221 WeakPolarHBondContact CB-SG 3.42Å; C214-C221 WeakPolarHBondContact SG-CB 3.35Å; C214-C221 CovalentContact SG-SG 2.03Å; C214-C221 PolarHBondContact SG-SG 3.35Å; C221-I223 PolarHBondContact O-N 3.34Å
222	S	88.7	Confident	92.3	Very high	90 Å²	90	64.3 Å²	64.3	63%	0.629	37%	0.372	S	S	*	.	S	Bend	trans	-60.4	-31.4	178.7	53.4	0	0	0	0	113.1
223	I	88.6	Confident	92.5	Very high	77 Å²	77	62.8 Å²	62.8	40%	0.395	36%	0.36	S	S	.	.	S	Bend	trans	-132.7	134.8	164.1	-172.2	169	0	0	0	108.8	H215 C221	H215-I223 HydrophobicContact CB-CG2 4.15Å; H215-I223 PolarHBondContact N-O 3.07Å; C221-I223 PolarHBondContact O-N 3.34Å
224	R	92.7	Very high	92.7	Very high	94 Å²	94	65.5 Å²	65.5	36%	0.355	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147	175.6	66.8	-172.9	-179.4	-175.6	-1.2	111.5	G154 Y155 R156 C212 K213	G154-R224 PolarHBondContact O-N 2.65Å; Y155-R224 VanDerWaalsContact CA-O 3.26Å; Y155-R224 WeakPolarHBondContact CA-O 3.38Å; Y155-R224 VanDerWaalsContact CB-CG 3.47Å; Y155-R224 WeakPolarHBondContact CB-O 3.48Å; R156-R224 PolarHBondContact N-O 2.88Å; C212-R224 HydrophobicContact CB-CG 4.41Å; K213-R224 CarbonylContact O-C 3.6Å; K213-R224 WeakPolarHBondContact O-CA 3.38Å; K213-R224 WeakPolarHBondContact O-CB 2.98Å
225	T	93.4	Very high	92.9	Very high	14 Å²	14	68 Å²	68	9%	0.086	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.9	173.7	-53.6	0	0	0	0	107.9	R156 G158 C212 K213 H215 W227	R156-T225 HydrophobicContact CG-CG2 4.5Å; R156-T225 WeakPolarHBondContact O-CA 2.95Å; G158-T225 VanDerWaalsContact C-CG2 3.47Å; G158-T225 VanDerWaalsContact CA-CG2 3.48Å; C212-T225 CarbonylContact C-O 3.52Å; C212-T225 VanDerWaalsContact CA-O 3.32Å; C212-T225 WeakPolarHBondContact CA-O 3.4Å; K213-T225 PolarHBondContact N-O 2.93Å; K213-T225 PolarHBondContact O-N 3.38Å; H215-T225 PolarHBondContact CD2-OG1 3.05Å; H215-T225 PolarHBondContact NE2-OG1 3.2Å; T225-W227 WeakPolarHBondContact O-CZ3 3.11Å
226	C	95.3	Very high	93.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.1	-177.6	-55.5	0	0	0	0	112.1	Y155 R156 W157 G158 M210 K211 C212	Y155-C226 HydrophobicContact CD2-CB 3.92Å; Y155-C226 HydrophobicContact CE2-CB 4.44Å; R156-C226 PolarHBondContact O-N 3.04Å; W157-C226 WeakPolarHBondContact CA-O 3.47Å; W157-C226 HydrophobicContact CE3-CB 4.39Å; W157-C226 VanDerWaalsContact CE3-O 3.3Å; W157-C226 HydrophobicContact CZ3-CB 4.23Å; G158-C226 PolarHBondContact N-O 3.26Å; G158-C226 CarbonylContact O-C 3.54Å; M210-C226 HydrophobicContact CG-CB 3.89Å; M210-C226 HydrophobicContact SD-CB 4.09Å; K211-C226 CarbonylContact O-C 3.02Å; K211-C226 WeakPolarHBondContact O-CA 3.42Å; K211-C226 WeakPolarHBondContact O-CB 3.21Å; C212-C226 HydrophobicContact CB-CB 4.09Å; C212-C226 WeakPolarHBondContact CB-SG 3.39Å; C212-C226 WeakPolarHBondContact SG-CB 3.25Å; C212-C226 CovalentContact SG-SG 2.04Å; C212-C226 PolarHBondContact SG-SG 3.01Å
227	W	95.4	Very high	94	Very high	66 Å²	66	63 Å²	63	25%	0.25	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	163.5	173.3	56.2	102.1	0	0	0	110.1	G158 A161 K211 K213 T225	G158-W227 WeakPolarHBondContact O-CB 3.26Å; A161-W227 HydrophobicContact CB-CB 4.23Å; K211-W227 HydrophobicContact CB-CD2 4.47Å; K211-W227 HydrophobicContact CB-CZ2 4.22Å; K211-W227 PolarHBondContact N-O 2.88Å; K211-W227 PolarHBondContact O-N 2.82Å; K213-W227 HydrophobicContact CB-CH2 4Å; K213-W227 HydrophobicContact CB-CZ3 3.98Å; T225-W227 WeakPolarHBondContact O-CZ3 3.11Å
228	K	94.9	Very high	94.3	Very high	53 Å²	53	61.1 Å²	61.1	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.6	167.8	-61.3	-70.4	-176.2	-179.5	0	108.9	P147 E149 W157 A161 D162 L208 V209	P147-K228 HydrophobicContact CG-CD 4.45Å; P147-K228 HydrophobicContact CG-CG 3.68Å; E149-K228 VanDerWaalsContact OE1-CE 3.26Å; E149-K228 WeakPolarHBondContact OE1-CE 3.16Å; E149-K228 IonicContact OE1-NZ 2.79Å; E149-K228 PolarHBondContact OE1-NZ 3.34Å; W157-K228 HydrophobicContact CH2-CD 4.5Å; A161-K228 VanDerWaalsContact CA-O 3.3Å; A161-K228 WeakPolarHBondContact CA-O 3.33Å; A161-K228 VanDerWaalsContact CB-O 3.24Å; A161-K228 WeakPolarHBondContact CB-O 3.44Å; D162-K228 PolarHBondContact N-O 3.06Å; L208-K228 HydrophobicContact CD2-CB 3.63Å; L208-K228 HydrophobicContact CD2-CD 4.34Å; L208-K228 HydrophobicContact CD2-CG 4.06Å; L208-K228 HydrophobicContact CG-CB 4.07Å; V209-K228 WeakPolarHBondContact O-CA 3.19Å
229	G	96.3	Very high	94.8	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.8	176.9	0	0	0	0	0	110.6	D162 V209	D162-G229 WeakPolarHBondContact OD2-CA 3.19Å; V209-G229 WeakPolarHBondContact CG2-O 3.45Å; V209-G229 PolarHBondContact N-O 3.47Å; V209-G229 PolarHBondContact O-N 3.15Å; V209-G229 VanDerWaalsContact O-O 3.1Å
230	L	97.4	Very high	95.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142.6	178	-69.2	165.8	0	0	0	110.4	A130 D162 L164 L204 L208 K211	A130-L230 HydrophobicContact CB-CD1 3.86Å; D162-L230 HydrophobicContact CB-CD1 4.13Å; D162-L230 HydrophobicContact CB-CG 4.12Å; D162-L230 PolarHBondContact OD2-N 2.82Å; L164-L230 HydrophobicContact CD1-CD1 4.42Å; L164-L230 HydrophobicContact CD1-CD2 4.22Å; L164-L230 HydrophobicContact CD2-CD2 4.41Å; L204-L230 HydrophobicContact CD1-CD1 4.17Å; L204-L230 HydrophobicContact CD1-CD2 3.67Å; L204-L230 HydrophobicContact CD1-CG 4.48Å; L204-L230 HydrophobicContact CG-CD2 4.13Å; L208-L230 HydrophobicContact CD1-CD2 3.71Å; L208-L230 HydrophobicContact CD1-CG 4.11Å; K211-L230 VanDerWaalsContact CE-O 3.24Å; K211-L230 WeakPolarHBondContact CE-O 3.37Å; K211-L230 PolarHBondContact NZ-O 2.76Å
231	Q	97.8	Very high	95.9	Very high	70 Å²	70	53.4 Å²	53.4	33%	0.327	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-58.7	164.8	166.4	-72.2	178.7	1.1	0	0	111.5	H127 A207 V209 E235	H127-Q231 PolarHBondContact NE2-O 3.11Å; A207-Q231 HydrophobicContact CB-CB 4.29Å; A207-Q231 WeakPolarHBondContact O-CG 3.47Å; A207-Q231 PolarHBondContact O-N 3.47Å; V209-Q231 HydrophobicContact CG1-CG 3.73Å; V209-Q231 HydrophobicContact CG2-CG 3.92Å; Q231-E235 HydrophobicContact CB-CB 4.44Å
232	D	97.2	Very high	96.2	Very high	109 Å²	109	53.2 Å²	53.2	58%	0.583	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-63.1	142.3	173.3	-68.5	-37.6	0	0	0	110.4	R234 E235 I236	D232-R234 PolarHBondContact O-N 3.39Å; D232-E235 PolarHBondContact O-N 2.04Å; D232-I236 PolarHBondContact O-N 2.83Å
233	L	97.9	Very high	96.6	Very high	17 Å²	17	50 Å²	50	9%	0.089	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-26.1	-176.5	-172.7	63.6	0	0	0	112.8	E75 T79 T124 A237	E75-L233 HydrophobicContact CB-CD2 4.02Å; T79-L233 HydrophobicContact CG2-CD2 4.42Å; T79-L233 HydrophobicContact CG2-CG 4.22Å; T79-L233 WeakPolarHBondContact OG1-CD2 3.48Å; T124-L233 HydrophobicContact CG2-CD1 4.35Å; T124-L233 HydrophobicContact CG2-CD2 3.61Å; L233-A237 WeakPolarHBondContact O-CB 3.46Å; L233-A237 PolarHBondContact O-N 3.27Å
234	R	97.8	Very high	97.1	Very high	185 Å²	185	47 Å²	47	70%	0.698	22%	0.219	S	C	*	.	H	α-helix	trans	-60.5	-46.1	174.1	-176.9	-177	180	-176.6	-2	112.1	D232 A237 M238	D232-R234 PolarHBondContact O-N 3.39Å; R234-A237 PolarHBondContact O-N 2.95Å; R234-M238 WeakPolarHBondContact O-CG 3.09Å; R234-M238 PolarHBondContact O-N 3.39Å
235	E	98.3	Very high	97.2	Very high	98 Å²	98	47.2 Å²	47.2	46%	0.458	23%	0.227	S	C	.	.	H	α-helix	trans	-66.4	-42.8	-178.8	-60.9	-52.1	132.9	0	0	110.4	Q231 D232 A237 M238 D239	Q231-E235 HydrophobicContact CB-CB 4.44Å; D232-E235 PolarHBondContact O-N 2.04Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.34Å; E235-M238 PolarHBondContact O-N 2.84Å; E235-M238 VanDerWaalsContact O-N 3.15Å; E235-D239 PolarHBondContact O-N 3.15Å
236	I	98.6	Very high	97.3	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-44	174.6	-56.3	173.3	0	0	0	110.6	A123 L204 A207 D232 M238 D239 L240	A123-I236 HydrophobicContact CB-CG2 4.36Å; L204-I236 HydrophobicContact CD1-CD1 3.66Å; A207-I236 HydrophobicContact CB-CD1 3.83Å; A207-I236 HydrophobicContact CB-CG1 3.63Å; D232-I236 PolarHBondContact O-N 2.83Å; I236-M238 VanDerWaalsContact C-N 3.32Å; I236-M238 PolarHBondContact O-N 3.46Å; I236-D239 PolarHBondContact O-N 3.01Å; I236-L240 HydrophobicContact CG2-CD1 4.46Å; I236-L240 WeakPolarHBondContact O-CG 3.47Å; I236-L240 PolarHBondContact O-N 3.2Å
237	A	98.6	Very high	97.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-33	178.6	0	0	0	0	0	112.9	T79 T83 L120 L233 R234 E235 L240 K241	T79-A237 HydrophobicContact CG2-CB 3.39Å; T83-A237 HydrophobicContact CG2-CB 4.46Å; T83-A237 WeakPolarHBondContact OG1-CB 3.44Å; L120-A237 HydrophobicContact CD1-CB 3.98Å; L233-A237 WeakPolarHBondContact O-CB 3.46Å; L233-A237 PolarHBondContact O-N 3.27Å; R234-A237 PolarHBondContact O-N 2.95Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.34Å; A237-L240 PolarHBondContact O-N 2.94Å; A237-K241 WeakPolarHBondContact O-CB 3.15Å; A237-K241 PolarHBondContact O-N 3.39Å
238	M	98.3	Very high	97.3	Very high	88 Å²	88	49.1 Å²	49.1	43%	0.433	25%	0.25	S	C	.	.	H	α-helix	trans	-69.3	-39.7	174.2	-71	-58.2	-61.4	0	0	112.1	T83 R234 E235 I236 K241 S242	T83-M238 HydrophobicContact CG2-SD 4.39Å; R234-M238 WeakPolarHBondContact O-CG 3.09Å; R234-M238 PolarHBondContact O-N 3.39Å; E235-M238 PolarHBondContact O-N 2.84Å; E235-M238 VanDerWaalsContact O-N 3.15Å; I236-M238 VanDerWaalsContact C-N 3.32Å; I236-M238 PolarHBondContact O-N 3.46Å; M238-K241 HydrophobicContact CE-CD 4.3Å; M238-K241 WeakPolarHBondContact O-CB 3.14Å; M238-K241 PolarHBondContact O-N 2.77Å; M238-K241 VanDerWaalsContact O-N 3.17Å; M238-K241 HydrophobicContact SD-CD 4.29Å; M238-S242 PolarHBondContact O-N 3.44Å
239	D	98.2	Very high	97.3	Very high	66 Å²	66	49.6 Å²	49.6	35%	0.353	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-45.5	170.9	179.1	60	0	0	0	111.2	E235 I236 K241 S242 K243	E235-D239 PolarHBondContact O-N 3.15Å; I236-D239 PolarHBondContact O-N 3.01Å; D239-K241 VanDerWaalsContact C-N 3.27Å; D239-K241 PolarHBondContact O-N 2.89Å; D239-S242 VanDerWaalsContact O-CB 3.28Å; D239-S242 WeakPolarHBondContact O-CB 2.91Å; D239-S242 PolarHBondContact O-N 2.86Å; D239-S242 VanDerWaalsContact O-N 3.1Å; D239-K243 PolarHBondContact O-N 2.99Å; D239-K243 VanDerWaalsContact O-N 3.08Å; D239-K243 WeakPolarHBondContact OD2-CE 3.37Å
240	L	98.7	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-32.9	174	-67.1	-179.7	0	0	0	112.8	F116 A119 L120 A123 A203 I236 A237 K243 Y244	F116-L240 HydrophobicContact CD2-CB 4.1Å; F116-L240 HydrophobicContact CE2-CB 3.63Å; A119-L240 HydrophobicContact CB-CD1 4.29Å; A119-L240 HydrophobicContact CB-CD2 4.19Å; L120-L240 HydrophobicContact CB-CD1 4.25Å; L120-L240 HydrophobicContact CD1-CD1 4.32Å; A123-L240 HydrophobicContact CB-CD1 4.3Å; A203-L240 HydrophobicContact CB-CD2 3.7Å; A203-L240 HydrophobicContact CB-CG 4.33Å; I236-L240 HydrophobicContact CG2-CD1 4.46Å; I236-L240 WeakPolarHBondContact O-CG 3.47Å; I236-L240 PolarHBondContact O-N 3.2Å; A237-L240 PolarHBondContact O-N 2.94Å; L240-K243 HydrophobicContact CD2-CD 4.19Å; L240-K243 PolarHBondContact O-N 3.33Å; L240-Y244 WeakPolarHBondContact O-CB 3.46Å; L240-Y244 PolarHBondContact O-N 3.1Å
241	K	98.3	Very high	96.8	Very high	15 Å²	15	51.5 Å²	51.5	7%	0.065	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-40.3	174.2	-171	-176.4	-174	172.2	0	110.5	T83 F84 D86 F116 A237 M238 D239 K243 Y244 L245	T83-K241 HydrophobicContact CG2-CB 3.86Å; T83-K241 HydrophobicContact CG2-CD 3.8Å; T83-K241 HydrophobicContact CG2-CG 4.12Å; T83-K241 WeakPolarHBondContact O-CE 3.47Å; T83-K241 PolarHBondContact O-NZ 3.19Å; F84-K241 HydrophobicContact CZ-CG 4.25Å; D86-K241 IonicContact OD1-NZ 2.82Å; D86-K241 PolarHBondContact OD1-NZ 3.08Å; D86-K241 IonicContact OD2-NZ 3.28Å; D86-K241 PolarHBondContact OD2-NZ 3.04Å; F116-K241 HydrophobicContact CE2-CB 4.46Å; A237-K241 WeakPolarHBondContact O-CB 3.15Å; A237-K241 PolarHBondContact O-N 3.39Å; M238-K241 HydrophobicContact CE-CD 4.3Å; M238-K241 WeakPolarHBondContact O-CB 3.14Å; M238-K241 PolarHBondContact O-N 2.77Å; M238-K241 VanDerWaalsContact O-N 3.17Å; M238-K241 HydrophobicContact SD-CD 4.29Å; D239-K241 VanDerWaalsContact C-N 3.27Å; D239-K241 PolarHBondContact O-N 2.89Å; K241-K243 VanDerWaalsContact C-N 3.35Å; K241-K243 PolarHBondContact O-N 3.11Å; K241-Y244 WeakPolarHBondContact O-CB 3.48Å; K241-Y244 PolarHBondContact O-N 2.85Å; K241-L245 WeakPolarHBondContact O-CG 3.07Å; K241-L245 PolarHBondContact O-N 2.88Å
242	S	97.7	Very high	96.4	Very high	73 Å²	73	51.8 Å²	51.8	51%	0.51	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-47.7	173	-172.8	0	0	0	0	111.1	M238 D239 Y244 L245 S246	M238-S242 PolarHBondContact O-N 3.44Å; D239-S242 VanDerWaalsContact O-CB 3.28Å; D239-S242 WeakPolarHBondContact O-CB 2.91Å; D239-S242 PolarHBondContact O-N 2.86Å; D239-S242 VanDerWaalsContact O-N 3.1Å; S242-Y244 VanDerWaalsContact C-N 3.32Å; S242-Y244 PolarHBondContact O-N 3.36Å; S242-L245 PolarHBondContact O-N 2.95Å; S242-L245 VanDerWaalsContact O-N 3.17Å; S242-S246 PolarHBondContact O-N 3.07Å; S242-S246 PolarHBondContact O-OG 3.04Å
243	K	97.9	Very high	95.9	Very high	23 Å²	23	51.8 Å²	51.8	10%	0.1	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-34.1	175.2	-63.5	176.7	-171.7	-73.8	0	113.2	V199 D239 L240 K241 S246 A247 N274 M276	V199-K243 HydrophobicContact CG1-CD 3.73Å; D239-K243 PolarHBondContact O-N 2.99Å; D239-K243 VanDerWaalsContact O-N 3.08Å; D239-K243 WeakPolarHBondContact OD2-CE 3.37Å; L240-K243 HydrophobicContact CD2-CD 4.19Å; L240-K243 PolarHBondContact O-N 3.33Å; K241-K243 VanDerWaalsContact C-N 3.35Å; K241-K243 PolarHBondContact O-N 3.11Å; K243-S246 CarbonylContact O-C 3.31Å; K243-A247 WeakPolarHBondContact O-CA 3.42Å; K243-A247 PolarHBondContact O-N 3.31Å; K243-A247 VanDerWaalsContact O-N 3.09Å; K243-N274 PolarHBondContact NZ-O 3.28Å; K243-N274 VanDerWaalsContact NZ-O 3.09Å; K243-M276 HydrophobicContact CB-CB 4.35Å; K243-M276 HydrophobicContact CB-CE 4.39Å
244	Y	97.9	Very high	95.3	Very high	14 Å²	14	55.3 Å²	55.3	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-46.4	172.6	162.5	-85.7	0	0	0	111.2	F84 M87 R112 E113 F116 L240 K241 S242 S246 A247	F84-Y244 AromaticContact CE1-CD1 3.8Å; F84-Y244 HydrophobicContact CE1-CD1 3.8Å; F84-Y244 HydrophobicContact CE1-CD2 4.43Å; F84-Y244 AromaticContact CE1-CE1 3.55Å; F84-Y244 HydrophobicContact CE1-CE1 3.55Å; F84-Y244 HydrophobicContact CE1-CE2 4.19Å; F84-Y244 HydrophobicContact CE1-CG 4.27Å; F84-Y244 AromaticContact CE1-CZ 3.77Å; F84-Y244 AromaticContact CZ-CD1 3.78Å; F84-Y244 HydrophobicContact CZ-CD1 3.78Å; F84-Y244 HydrophobicContact CZ-CD2 4.09Å; F84-Y244 HydrophobicContact CZ-CE1 4Å; F84-Y244 HydrophobicContact CZ-CE2 4.27Å; F84-Y244 AromaticContact CZ-CG 3.86Å; F84-Y244 HydrophobicContact CZ-CG 3.86Å; M87-Y244 HydrophobicContact CE-CE1 4.23Å; M87-Y244 HydrophobicContact SD-CE1 4.21Å; R112-Y244 HydrophobicContact CB-CD2 4.31Å; R112-Y244 HydrophobicContact CB-CE2 3.82Å; R112-Y244 VanDerWaalsContact CD-O 3.24Å; R112-Y244 WeakPolarHBondContact CD-O 3.41Å; R112-Y244 HydrophobicContact CG-CD2 3.5Å; R112-Y244 HydrophobicContact CG-CE2 3.4Å; R112-Y244 VanDerWaalsContact CG-CE2 3.4Å; R112-Y244 HydrophobicContact CG-CG 4.24Å; R112-Y244 WeakPolarHBondContact O-CD2 3.45Å; E113-Y244 HydrophobicContact CG-CE2 4.36Å; E113-Y244 PolarHBondContact OE1-OH 3.29Å; F116-Y244 HydrophobicContact CB-CD2 3.76Å; F116-Y244 HydrophobicContact CB-CG 4.36Å; L240-Y244 WeakPolarHBondContact O-CB 3.46Å; L240-Y244 PolarHBondContact O-N 3.1Å; K241-Y244 WeakPolarHBondContact O-CB 3.48Å; K241-Y244 PolarHBondContact O-N 2.85Å; S242-Y244 VanDerWaalsContact C-N 3.32Å; S242-Y244 PolarHBondContact O-N 3.36Å; Y244-S246 VanDerWaalsContact C-N 3.27Å; Y244-S246 PolarHBondContact O-N 3.32Å; Y244-A247 VanDerWaalsContact O-CB 3.29Å; Y244-A247 WeakPolarHBondContact O-CB 3.21Å; Y244-A247 PolarHBondContact O-N 3.46Å
245	L	96.4	Very high	94.4	Very high	97 Å²	97	49.9 Å²	49.9	51%	0.508	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-36.2	-178.7	-68.3	172.3	0	0	0	112	M87 R112 K241 S242	M87-L245 HydrophobicContact CE-CD2 4.09Å; R112-L245 PolarHBondContact NH1-O 3.48Å; R112-L245 VanDerWaalsContact NH1-O 3.15Å; K241-L245 WeakPolarHBondContact O-CG 3.07Å; K241-L245 PolarHBondContact O-N 2.88Å; S242-L245 PolarHBondContact O-N 2.95Å; S242-L245 VanDerWaalsContact O-N 3.17Å
246	S	95.1	Very high	93.7	Very high	77 Å²	77	48.8 Å²	48.8	54%	0.538	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	16.3	177.9	73.9	0	0	0	0	114.6	S242 K243 Y244	S242-S246 PolarHBondContact O-N 3.07Å; S242-S246 PolarHBondContact O-OG 3.04Å; K243-S246 CarbonylContact O-C 3.31Å; Y244-S246 VanDerWaalsContact C-N 3.27Å; Y244-S246 PolarHBondContact O-N 3.32Å
247	A	96.2	Very high	92.9	Very high	8 Å²	8	55.5 Å²	55.5	7%	0.066	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64.6	146.4	-174.8	0	0	0	0	0	112.3	R112 K243 Y244 M276 Y278	R112-A247 HydrophobicContact CG-CB 3.9Å; K243-A247 WeakPolarHBondContact O-CA 3.42Å; K243-A247 PolarHBondContact O-N 3.31Å; K243-A247 VanDerWaalsContact O-N 3.09Å; Y244-A247 VanDerWaalsContact O-CB 3.29Å; Y244-A247 WeakPolarHBondContact O-CB 3.21Å; Y244-A247 PolarHBondContact O-N 3.46Å; A247-M276 CarbonylContact C-O 3.56Å; A247-M276 VanDerWaalsContact CA-O 3.25Å; A247-M276 WeakPolarHBondContact CA-O 3.5Å; A247-M276 HydrophobicContact CB-CB 4.05Å; A247-M276 HydrophobicContact CB-CG 4.31Å; A247-M276 WeakPolarHBondContact CB-O 3.32Å; A247-Y278 HydrophobicContact CB-CD1 4.01Å; A247-Y278 HydrophobicContact CB-CE1 4.3Å; A247-Y278 WeakPolarHBondContact O-CE1 3.49Å
248	T	94.6	Very high	92	Very high	35 Å²	35	64.5 Å²	64.5	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.2	-176	-79.6	0	0	0	0	112.7	V250 P263 L271 E275 M276 I277 Y278	T248-V250 HydrophobicContact CG2-CG1 4.37Å; T248-P263 HydrophobicContact CG2-CB 4.26Å; T248-L271 HydrophobicContact CG2-CD1 4.4Å; T248-E275 VanDerWaalsContact CB-OE1 3.3Å; T248-E275 WeakPolarHBondContact CB-OE1 3.26Å; T248-E275 PolarHBondContact OG1-OE1 2.91Å; T248-M276 PolarHBondContact N-O 2.68Å; T248-I277 VanDerWaalsContact O-CA 3.31Å; T248-I277 WeakPolarHBondContact O-CA 3.41Å; T248-Y278 WeakPolarHBondContact O-CD1 3.32Å; T248-Y278 PolarHBondContact O-N 3.31Å
249	K	94.2	Very high	91.2	Very high	63 Å²	63	66.4 Å²	66.4	27%	0.274	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	125.3	173	-166.8	170.9	-177.6	170.6	0	110.4	K264 Y278 L279 S281	K249-K264 PolarHBondContact O-N 2.93Å; K249-K264 VanDerWaalsContact O-N 3.07Å; K249-Y278 CarbonylContact C-O 3.59Å; K249-Y278 WeakPolarHBondContact CA-O 3.44Å; K249-Y278 HydrophobicContact CB-CD2 4.35Å; K249-Y278 HydrophobicContact CB-CE1 4.04Å; K249-Y278 HydrophobicContact CB-CE2 3.73Å; K249-Y278 HydrophobicContact CD-CE2 3.89Å; K249-Y278 HydrophobicContact CG-CD2 4.13Å; K249-Y278 HydrophobicContact CG-CE2 3.69Å; K249-L279 VanDerWaalsContact CE-O 3.29Å; K249-L279 WeakPolarHBondContact CE-O 3.25Å; K249-S281 PolarHBondContact NZ-OG 3.23Å
250	V	92.9	Very high	90.6	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.006	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	159.1	179.1	-63.1	0	0	0	0	111.8	T248 L261 V262 I277 Y278 L279	T248-V250 HydrophobicContact CG2-CG1 4.37Å; V250-L261 HydrophobicContact CB-CB 4.34Å; V250-L261 HydrophobicContact CG2-CB 4.24Å; V250-L261 HydrophobicContact CG2-CD1 4.43Å; V250-L261 HydrophobicContact CG2-CD2 4.08Å; V250-L261 HydrophobicContact CG2-CG 4.49Å; V250-V262 CarbonylContact C-O 3.59Å; V250-V262 WeakPolarHBondContact CA-O 3.44Å; V250-V262 WeakPolarHBondContact CB-O 3.17Å; V250-I277 HydrophobicContact CG1-CB 3.9Å; V250-I277 HydrophobicContact CG1-CD1 4.49Å; V250-I277 HydrophobicContact CG1-CG2 3.79Å; V250-I277 HydrophobicContact CG2-CB 4.08Å; V250-I277 HydrophobicContact CG2-CD1 4.24Å; V250-I277 HydrophobicContact CG2-CG1 4.45Å; V250-Y278 WeakPolarHBondContact CG2-O 2.96Å; V250-Y278 PolarHBondContact N-O 2.88Å; V250-L279 HydrophobicContact CG2-CD2 4.02Å; V250-L279 HydrophobicContact CG2-CG 4.34Å
251	V	91	Very high	90.2	Very high	40 Å²	40	68.8 Å²	68.8	24%	0.242	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.8	173.7	-69.2	0	0	0	0	109.4	R253 V262 K264	V251-R253 HydrophobicContact CG2-CG 3.93Å; V251-R253 PolarHBondContact O-N 3.47Å; V251-V262 HydrophobicContact CG2-CG2 3.91Å; V251-V262 PolarHBondContact N-O 3.25Å; V251-V262 PolarHBondContact O-N 3.39Å; V251-K264 HydrophobicContact CG1-CB 4.3Å; V251-K264 HydrophobicContact CG1-CG 4.2Å
252	Y	89.7	Confident	89.7	Confident	75 Å²	75	68.6 Å²	68.6	29%	0.294	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	106.1	178.5	-169.8	-126.2	0	0	0	109.4	S187 A188 L191 K259 L261	S187-Y252 WeakPolarHBondContact CB-OH 3.46Å; S187-Y252 PolarHBondContact OG-OH 3.17Å; S187-Y252 VanDerWaalsContact OG-OH 3.09Å; A188-Y252 HydrophobicContact CB-CD1 4.01Å; A188-Y252 HydrophobicContact CB-CD2 4.03Å; A188-Y252 HydrophobicContact CB-CG 3.67Å; L191-Y252 HydrophobicContact CD1-CD2 4.41Å; L191-Y252 HydrophobicContact CD1-CE2 3.62Å; Y252-K259 HydrophobicContact CE1-CB 4.03Å; Y252-K259 HydrophobicContact CE1-CD 3.61Å; Y252-K259 HydrophobicContact CE1-CG 4.42Å; Y252-K259 HydrophobicContact CE2-CB 3.65Å; Y252-K259 WeakPolarHBondContact OH-CB 3.49Å; Y252-K259 WeakPolarHBondContact OH-CD 3.39Å; Y252-L261 HydrophobicContact CD2-CD2 3.95Å; Y252-L261 HydrophobicContact CD2-CG 4.47Å
253	R	86.3	Confident	89.3	Confident	109 Å²	109	66 Å²	66	41%	0.411	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.8	-177.7	-67.7	-170.5	-172.7	-172.6	7.9	111.3	V251 M255 K259 Q260 V262 I266	V251-R253 HydrophobicContact CG2-CG 3.93Å; V251-R253 PolarHBondContact O-N 3.47Å; R253-M255 HydrophobicContact CB-CE 4.44Å; R253-K259 WeakPolarHBondContact O-CA 3.36Å; R253-Q260 PolarHBondContact N-O 3.4Å; R253-Q260 PolarHBondContact O-N 3.14Å; R253-V262 HydrophobicContact CB-CG2 4.03Å; R253-V262 HydrophobicContact CG-CG2 3.96Å; R253-I266 VanDerWaalsContact NH1-CD1 3.32Å
254	T	85.1	Confident	88.5	Confident	91 Å²	91	70.2 Å²	70.2	56%	0.558	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.2	167.7	-51.3	0	0	0	0	108.2	G256	T254-G256 WeakPolarHBondContact CG2-O 3.28Å
255	M	78.6	Confident	87.6	Confident	72 Å²	72	74.7 Å²	74.7	36%	0.355	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	103.4	175.1	-68.9	-69.8	-176.6	0	0	107.6	R253 T257 R258 Q260 V262 I266	R253-M255 HydrophobicContact CB-CE 4.44Å; M255-T257 PolarHBondContact O-N 3.26Å; M255-R258 CarbonylContact C-O 3.23Å; M255-R258 PolarHBondContact N-O 3.16Å; M255-R258 PolarHBondContact O-N 3.33Å; M255-R258 VanDerWaalsContact O-O 3.08Å; M255-Q260 HydrophobicContact CB-CG 3.89Å; M255-Q260 HydrophobicContact CG-CG 3.66Å; M255-V262 HydrophobicContact CE-CB 4.38Å; M255-V262 HydrophobicContact CE-CG1 3.85Å; M255-V262 HydrophobicContact CE-CG2 4.04Å; M255-V262 HydrophobicContact CG-CG1 4.34Å; M255-I266 HydrophobicContact CE-CD1 4.07Å
256	G	83.3	Confident	86.1	Confident	74 Å²	74	73.5 Å²	73.5	76%	0.763	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	-122.7	-169.4	0	0	0	0	0	111.7	T254	T254-G256 WeakPolarHBondContact CG2-O 3.28Å
257	T	81.5	Confident	84.7	Confident	144 Å²	144	77.6 Å²	77.6	88%	0.883	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-7.2	178.4	57.1	0	0	0	0	113.9	M255	M255-T257 PolarHBondContact O-N 3.26Å
258	R	79.9	Confident	83.3	Confident	190 Å²	190	82.7 Å²	82.7	72%	0.717	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.8	-174.2	-64.9	-176	179.1	177.4	1	110.8	M255	M255-R258 CarbonylContact C-O 3.23Å; M255-R258 PolarHBondContact N-O 3.16Å; M255-R258 PolarHBondContact O-N 3.33Å; M255-R258 VanDerWaalsContact O-O 3.08Å
259	K	81.6	Confident	82.6	Confident	127 Å²	127	86.1 Å²	86.1	55%	0.552	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.7	169.8	-63.7	-171.8	178.9	-178.5	0	109.5	Y252 R253	Y252-K259 HydrophobicContact CE1-CB 4.03Å; Y252-K259 HydrophobicContact CE1-CD 3.61Å; Y252-K259 HydrophobicContact CE1-CG 4.42Å; Y252-K259 HydrophobicContact CE2-CB 3.65Å; Y252-K259 WeakPolarHBondContact OH-CB 3.49Å; Y252-K259 WeakPolarHBondContact OH-CD 3.39Å; R253-K259 WeakPolarHBondContact O-CA 3.36Å
260	Q	86.6	Confident	81.9	Confident	89 Å²	89	88.4 Å²	88.4	42%	0.416	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.8	-176.3	58.6	-176.3	51.3	0	0	111.7	R253 M255 V262	R253-Q260 PolarHBondContact N-O 3.4Å; R253-Q260 PolarHBondContact O-N 3.14Å; M255-Q260 HydrophobicContact CB-CG 3.89Å; M255-Q260 HydrophobicContact CG-CG 3.66Å; Q260-V262 HydrophobicContact CG-CG1 3.91Å
261	L	88.9	Confident	81.5	Confident	27 Å²	27	90.7 Å²	90.7	14%	0.141	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	126	171.4	-65.7	174.1	0	0	0	108.3	A188 L191 M192 V250 Y252 I277 L279	A188-L261 HydrophobicContact CB-CD2 4.35Å; L191-L261 HydrophobicContact CB-CD1 3.72Å; L191-L261 HydrophobicContact CB-CG 4.24Å; M192-L261 HydrophobicContact CB-CD1 3.85Å; V250-L261 HydrophobicContact CB-CB 4.34Å; V250-L261 HydrophobicContact CG2-CB 4.24Å; V250-L261 HydrophobicContact CG2-CD1 4.43Å; V250-L261 HydrophobicContact CG2-CD2 4.08Å; V250-L261 HydrophobicContact CG2-CG 4.49Å; Y252-L261 HydrophobicContact CD2-CD2 3.95Å; Y252-L261 HydrophobicContact CD2-CG 4.47Å; L261-I277 HydrophobicContact CD1-CD1 3.79Å; L261-L279 HydrophobicContact CD2-CD2 3.79Å
262	V	88.4	Confident	81.3	Confident	11 Å²	11	95.7 Å²	95.7	7%	0.067	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.9	177.3	-60.6	0	0	0	0	109.8	V250 V251 R253 M255 Q260 I266	V250-V262 CarbonylContact C-O 3.59Å; V250-V262 WeakPolarHBondContact CA-O 3.44Å; V250-V262 WeakPolarHBondContact CB-O 3.17Å; V251-V262 HydrophobicContact CG2-CG2 3.91Å; V251-V262 PolarHBondContact N-O 3.25Å; V251-V262 PolarHBondContact O-N 3.39Å; R253-V262 HydrophobicContact CB-CG2 4.03Å; R253-V262 HydrophobicContact CG-CG2 3.96Å; M255-V262 HydrophobicContact CE-CB 4.38Å; M255-V262 HydrophobicContact CE-CG1 3.85Å; M255-V262 HydrophobicContact CE-CG2 4.04Å; M255-V262 HydrophobicContact CG-CG1 4.34Å; Q260-V262 HydrophobicContact CG-CG1 3.91Å; V262-I266 HydrophobicContact CG2-CD1 4.27Å
263	P	88.2	Confident	81.1	Confident	20 Å²	20	100.7 Å²	100.7	13%	0.13	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	142.7	171.2	-26.2	35.6	0	0	0	111	T248 D265 I266 L271	T248-P263 HydrophobicContact CG2-CB 4.26Å; P263-D265 PolarHBondContact O-N 3.09Å; P263-I266 WeakPolarHBondContact O-CG1 3.26Å; P263-L271 HydrophobicContact CG-CB 4.12Å
264	K	81.3	Confident	81.3	Confident	110 Å²	110	98.6 Å²	98.6	48%	0.478	51%	0.509	S	S	.	.	S	Bend	trans	-60.3	-41.3	176.7	-172.7	-174	172.9	-159.6	0	111	K249 V251	K249-K264 PolarHBondContact O-N 2.93Å; K249-K264 VanDerWaalsContact O-N 3.07Å; V251-K264 HydrophobicContact CG1-CB 4.3Å; V251-K264 HydrophobicContact CG1-CG 4.2Å
265	D	78.9	Confident	81.7	Confident	108 Å²	108	94.9 Å²	94.9	58%	0.578	49%	0.486	S	S	*	.	S	Bend	trans	-101.9	87.1	179.4	-52	-44.1	0	0	0	108.2	P263 D267 V268	P263-D265 PolarHBondContact O-N 3.09Å; D265-D267 PolarHBondContact O-N 2.03Å; D265-V268 HydrophobicContact CB-CG2 4.08Å
266	I	65.8	Low	82.6	Confident	72 Å²	72	91.5 Å²	91.5	37%	0.369	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.2	-171.6	-65.3	175.2	0	0	0	111.6	R253 M255 V262 P263 V268	R253-I266 VanDerWaalsContact NH1-CD1 3.32Å; M255-I266 HydrophobicContact CE-CD1 4.07Å; V262-I266 HydrophobicContact CG2-CD1 4.27Å; P263-I266 WeakPolarHBondContact O-CG1 3.26Å; I266-V268 PolarHBondContact O-N 3.41Å
267	D	66.4	Low	83.2	Confident	163 Å²	163	88 Å²	88	87%	0.872	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.3	-171.9	-53.9	-43.4	0	0	0	113.9	D265	D265-D267 PolarHBondContact O-N 2.03Å
268	V	65.3	Low	83.9	Confident	116 Å²	116	82.5 Å²	82.5	70%	0.703	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-40.8	-172.9	-175.3	0	0	0	0	112.5	D265 I266	D265-V268 HydrophobicContact CB-CG2 4.08Å; I266-V268 PolarHBondContact O-N 3.41Å
269	R	79.8	Confident	84.5	Confident	106 Å²	106	74.3 Å²	74.3	40%	0.4	37%	0.367	S	S	.	.			trans	176.3	162	171.6	61.3	-178.8	-158.5	177	4	113	R272 E275	R269-R272 VanDerWaalsContact NH1-CZ 3.31Å; R269-E275 IonicContact CZ-OE2 3.06Å; R269-E275 VanDerWaalsContact NH2-CD 3.27Å; R269-E275 IonicContact NH2-OE1 3.06Å; R269-E275 PolarHBondContact NH2-OE1 3.11Å; R269-E275 VanDerWaalsContact NH2-OE1 3.1Å; R269-E275 IonicContact NH2-OE2 3.07Å; R269-E275 PolarHBondContact NH2-OE2 3.48Å
270	P	80.4	Confident	85.1	Confident	112 Å²	112	73 Å²	73	73%	0.727	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-60.9	149.2	165.3	-21.3	33.5	0	0	0	113.4
271	L	84	Confident	85.5	Confident	48 Å²	48	72.4 Å²	72.4	25%	0.251	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-69.7	130.8	174.2	-178.5	69.4	0	0	0	110.4	T248 P263 E275 I277	T248-L271 HydrophobicContact CG2-CD1 4.4Å; P263-L271 HydrophobicContact CG-CB 4.12Å; L271-E275 HydrophobicContact CD1-CB 4.24Å; L271-E275 HydrophobicContact CD1-CG 4.1Å; L271-I277 HydrophobicContact CD1-CG2 3.4Å; L271-I277 HydrophobicContact CD2-CD1 4.33Å; L271-I277 HydrophobicContact CD2-CG2 3.71Å; L271-I277 HydrophobicContact CG-CG2 4.16Å
272	R	86.8	Confident	85.7	Confident	146 Å²	146	73.1 Å²	73.1	55%	0.551	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-82.5	147.4	174.8	-60.5	179.2	179	176.9	-1.8	110.9	R269 N274 E275	R269-R272 VanDerWaalsContact NH1-CZ 3.31Å; R272-N274 VanDerWaalsContact C-N 3.27Å; R272-N274 PolarHBondContact O-N 3.12Å; R272-E275 HydrophobicContact CB-CB 4.06Å; R272-E275 PolarHBondContact N-OE2 2.87Å; R272-E275 WeakPolarHBondContact O-CB 3.48Å; R272-E275 PolarHBondContact O-N 3.4Å
273	E	86.5	Confident	85.9	Confident	180 Å²	180	74 Å²	74	84%	0.841	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.2	-179.5	-64.9	-175	169.8	0	0	113	V199 E275	V199-E273 WeakPolarHBondContact CG2-O 3.44Å; E273-E275 VanDerWaalsContact C-N 3.32Å
274	N	90.3	Very high	86.2	Confident	64 Å²	64	76.9 Å²	76.9	34%	0.342	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.9	-179.1	70.4	-13	0	0	0	114	K243 R272	K243-N274 PolarHBondContact NZ-O 3.28Å; K243-N274 VanDerWaalsContact NZ-O 3.09Å; R272-N274 VanDerWaalsContact C-N 3.27Å; R272-N274 PolarHBondContact O-N 3.12Å
275	E	93.3	Very high	86.9	Confident	14 Å²	14	72.6 Å²	72.6	7%	0.065	38%	0.376	C	S	.	.	S	Bend	trans	-95.8	132.6	-179.6	-178.1	169.3	-168	0	0	110.8	H195 T248 R269 L271 R272 E273	H195-E275 PolarHBondContact NE2-O 2.94Å; T248-E275 VanDerWaalsContact CB-OE1 3.3Å; T248-E275 WeakPolarHBondContact CB-OE1 3.26Å; T248-E275 PolarHBondContact OG1-OE1 2.91Å; R269-E275 IonicContact CZ-OE2 3.06Å; R269-E275 VanDerWaalsContact NH2-CD 3.27Å; R269-E275 IonicContact NH2-OE1 3.06Å; R269-E275 PolarHBondContact NH2-OE1 3.11Å; R269-E275 VanDerWaalsContact NH2-OE1 3.1Å; R269-E275 IonicContact NH2-OE2 3.07Å; R269-E275 PolarHBondContact NH2-OE2 3.48Å; L271-E275 HydrophobicContact CD1-CB 4.24Å; L271-E275 HydrophobicContact CD1-CG 4.1Å; R272-E275 HydrophobicContact CB-CB 4.06Å; R272-E275 PolarHBondContact N-OE2 2.87Å; R272-E275 WeakPolarHBondContact O-CB 3.48Å; R272-E275 PolarHBondContact O-N 3.4Å; E273-E275 VanDerWaalsContact C-N 3.32Å
276	M	97.2	Very high	87.7	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.			trans	-76.7	140.3	177.6	-169.7	177.8	-67.4	0	0	110.4	A115 F116 A119 N196 K243 A247 T248	A115-M276 VanDerWaalsContact C-SD 3.55Å; A115-M276 HydrophobicContact CB-CG 3.54Å; A115-M276 HydrophobicContact CB-SD 3.62Å; F116-M276 HydrophobicContact CB-CE 4.33Å; F116-M276 HydrophobicContact CB-SD 4.16Å; F116-M276 HydrophobicContact CD2-CE 4.4Å; F116-M276 PolarHBondContact N-SD 2.95Å; F116-M276 VanDerWaalsContact N-SD 3.4Å; A119-M276 HydrophobicContact CB-CE 3.78Å; N196-M276 WeakPolarHBondContact OD1-CG 3.5Å; K243-M276 HydrophobicContact CB-CB 4.35Å; K243-M276 HydrophobicContact CB-CE 4.39Å; A247-M276 CarbonylContact C-O 3.56Å; A247-M276 VanDerWaalsContact CA-O 3.25Å; A247-M276 WeakPolarHBondContact CA-O 3.5Å; A247-M276 HydrophobicContact CB-CB 4.05Å; A247-M276 HydrophobicContact CB-CG 4.31Å; A247-M276 WeakPolarHBondContact CB-O 3.32Å; T248-M276 PolarHBondContact N-O 2.68Å
277	I	96.2	Very high	89.1	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150	-176.3	61.5	178.3	0	0	0	113.2	A115 M192 H195 N196 T248 V250 L261 L271	A115-I277 WeakPolarHBondContact CB-O 3.47Å; M192-I277 HydrophobicContact CG-CD1 4.32Å; M192-I277 HydrophobicContact CG-CG1 3.87Å; M192-I277 WeakPolarHBondContact CG-O 3.39Å; H195-I277 HydrophobicContact CB-CD1 3.93Å; H195-I277 HydrophobicContact CB-CG1 4.45Å; N196-I277 PolarHBondContact ND2-O 2.74Å; N196-I277 PolarHBondContact OD1-N 3.05Å; N196-I277 PolarHBondContact OD1-O 2.76Å; T248-I277 VanDerWaalsContact O-CA 3.31Å; T248-I277 WeakPolarHBondContact O-CA 3.41Å; V250-I277 HydrophobicContact CG1-CB 3.9Å; V250-I277 HydrophobicContact CG1-CD1 4.49Å; V250-I277 HydrophobicContact CG1-CG2 3.79Å; V250-I277 HydrophobicContact CG2-CB 4.08Å; V250-I277 HydrophobicContact CG2-CD1 4.24Å; V250-I277 HydrophobicContact CG2-CG1 4.45Å; L261-I277 HydrophobicContact CD1-CD1 3.79Å; L271-I277 HydrophobicContact CD1-CG2 3.4Å; L271-I277 HydrophobicContact CD2-CD1 4.33Å; L271-I277 HydrophobicContact CD2-CG2 3.71Å; L271-I277 HydrophobicContact CG-CG2 4.16Å
278	Y	95.9	Very high	90.4	Very high	27 Å²	27	67.5 Å²	67.5	11%	0.106	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.1	176.4	69.6	-85.2	0	0	0	112.5	R112 A247 T248 K249 V250 H280	R112-Y278 HydrophobicContact CB-CD1 4.32Å; R112-Y278 HydrophobicContact CB-CG 4.31Å; R112-Y278 HydrophobicContact CG-CD1 4.31Å; R112-Y278 PolarHBondContact NH2-OH 2.82Å; A247-Y278 HydrophobicContact CB-CD1 4.01Å; A247-Y278 HydrophobicContact CB-CE1 4.3Å; A247-Y278 WeakPolarHBondContact O-CE1 3.49Å; T248-Y278 WeakPolarHBondContact O-CD1 3.32Å; T248-Y278 PolarHBondContact O-N 3.31Å; K249-Y278 CarbonylContact C-O 3.59Å; K249-Y278 WeakPolarHBondContact CA-O 3.44Å; K249-Y278 HydrophobicContact CB-CD2 4.35Å; K249-Y278 HydrophobicContact CB-CE1 4.04Å; K249-Y278 HydrophobicContact CB-CE2 3.73Å; K249-Y278 HydrophobicContact CD-CE2 3.89Å; K249-Y278 HydrophobicContact CG-CD2 4.13Å; K249-Y278 HydrophobicContact CG-CE2 3.69Å; V250-Y278 WeakPolarHBondContact CG2-O 2.96Å; V250-Y278 PolarHBondContact N-O 2.88Å; Y278-H280 WeakPolarHBondContact CD2-O 3.35Å
279	L	93.9	Very high	91.7	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.099	33%	0.328	C	S	.	.	S	Bend	trans	-97.3	-41.3	-177.5	-73.9	161.4	0	0	0	111.9	G110 A188 N189 M192 K249 V250 L261	G110-L279 PolarHBondContact O-N 3.05Å; A188-L279 HydrophobicContact CB-CD1 3.99Å; A188-L279 HydrophobicContact CB-CD2 4.29Å; N189-L279 WeakPolarHBondContact OD1-CD1 3.07Å; M192-L279 HydrophobicContact CB-CD1 4.04Å; M192-L279 HydrophobicContact CB-CG 4.46Å; M192-L279 HydrophobicContact CG-CD1 4.36Å; M192-L279 HydrophobicContact CG-CG 4.38Å; M192-L279 HydrophobicContact SD-CB 4.2Å; M192-L279 HydrophobicContact SD-CD1 3.78Å; M192-L279 HydrophobicContact SD-CG 3.79Å; K249-L279 VanDerWaalsContact CE-O 3.29Å; K249-L279 WeakPolarHBondContact CE-O 3.25Å; V250-L279 HydrophobicContact CG2-CD2 4.02Å; V250-L279 HydrophobicContact CG2-CG 4.34Å; L261-L279 HydrophobicContact CD2-CD2 3.79Å
280	H	93.5	Very high	92.1	Very high	100 Å²	100	65.2 Å²	65.2	46%	0.463	34%	0.335	S	S	.	.	S	Bend	trans	-116.7	137.3	-172.8	-65.9	-88.8	0	0	0	111.4	R109 G110 T111 Y278	R109-H280 PolarHBondContact O-CD2 3Å; G110-H280 PolarHBondContact O-N 3.49Å; G110-H280 VanDerWaalsContact O-N 3.13Å; T111-H280 WeakPolarHBondContact CA-O 3.48Å; Y278-H280 WeakPolarHBondContact CD2-O 3.35Å
281	S	93.8	Very high	92.5	Very high	75 Å²	75	68 Å²	68	52%	0.524	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-61.6	141.4	175.5	-60.9	0	0	0	0	110.2	K249	K249-S281 PolarHBondContact NZ-OG 3.23Å
282	S	93.6	Very high	92.6	Very high	42 Å²	42	68.8 Å²	68.8	29%	0.294	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-62.7	145.6	175.6	-54.5	0	0	0	0	110.7	E113	E113-S282 VanDerWaalsContact CD-OG 3.26Å; E113-S282 PolarHBondContact OE1-OG 3.41Å; E113-S282 VanDerWaalsContact OE1-OG 3.05Å; E113-S282 WeakPolarHBondContact OE2-CB 3.37Å; E113-S282 PolarHBondContact OE2-OG 2.99Å
283	P	92.9	Very high	92.6	Very high	29 Å²	29	61.9 Å²	61.9	19%	0.188	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-71.5	173.6	175.5	34.4	-38.6	0	0	0	111.3	F285 L292	P283-F285 HydrophobicContact CG-CD1 4.26Å; P283-F285 HydrophobicContact CG-CE1 3.65Å; P283-F285 HydrophobicContact CG-CE2 4.3Å; P283-F285 HydrophobicContact CG-CZ 3.68Å; P283-F285 PolarHBondContact O-N 2.81Å; P283-L292 HydrophobicContact CB-CB 3.72Å; P283-L292 HydrophobicContact CB-CD1 3.99Å; P283-L292 HydrophobicContact CB-CG 4.32Å; P283-L292 HydrophobicContact CG-CB 4.23Å
284	D	93.6	Very high	92.9	Very high	81 Å²	81	53.3 Å²	53.3	43%	0.433	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-71.7	122.7	164.6	177.1	29.1	0	0	0	110.4	C286 S294	D284-C286 WeakPolarHBondContact OD1-CB 3.24Å; D284-C286 PolarHBondContact OD1-N 3.47Å; D284-C286 PolarHBondContact OD1-SG 3.04Å; D284-S294 WeakPolarHBondContact O-CB 3.32Å
285	F	96.4	Very high	93	Very high	20 Å²	20	52.7 Å²	52.7	9%	0.088	27%	0.272	C	S	.	.			trans	-93.9	-0.5	178.4	-65.3	-67	0	0	0	113.6	R88 W89 D106 E113 P283 S294 G296	R88-F285 HydrophobicContact CB-CB 3.83Å; W89-F285 HydrophobicContact CB-CD1 4.12Å; W89-F285 HydrophobicContact CB-CD2 3.8Å; W89-F285 HydrophobicContact CB-CE1 4.15Å; W89-F285 HydrophobicContact CB-CE2 3.79Å; W89-F285 HydrophobicContact CB-CG 3.95Å; W89-F285 HydrophobicContact CB-CZ 3.97Å; W89-F285 AromaticContact CD1-CE1 3.47Å; W89-F285 VanDerWaalsContact CD1-CE1 3.47Å; W89-F285 AromaticContact CD1-CZ 3.65Å; W89-F285 HydrophobicContact CG-CD1 4.49Å; W89-F285 HydrophobicContact CG-CE1 4.12Å; W89-F285 HydrophobicContact CG-CE2 4.27Å; W89-F285 AromaticContact CG-CZ 3.99Å; W89-F285 HydrophobicContact CG-CZ 3.99Å; D106-F285 HydrophobicContact CB-CE1 4.12Å; D106-F285 HydrophobicContact CB-CZ 4.29Å; E113-F285 HydrophobicContact CG-CE2 4.25Å; E113-F285 HydrophobicContact CG-CZ 3.92Å; P283-F285 HydrophobicContact CG-CD1 4.26Å; P283-F285 HydrophobicContact CG-CE1 3.65Å; P283-F285 HydrophobicContact CG-CE2 4.3Å; P283-F285 HydrophobicContact CG-CZ 3.68Å; P283-F285 PolarHBondContact O-N 2.81Å; F285-S294 VanDerWaalsContact CA-OG 3.32Å; F285-S294 WeakPolarHBondContact CA-OG 3.38Å; F285-S294 PolarHBondContact O-OG 3.48Å; F285-G296 CarbonylContact O-C 3.59Å; F285-G296 WeakPolarHBondContact O-CA 3.37Å
286	C	96	Very high	93.1	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.074	27%	0.273	C	S	.	.	S	Bend	trans	-67.9	-44.6	-178.7	-70.1	0	0	0	0	112.9	D284 G296 T297 C317 R319	D284-C286 WeakPolarHBondContact OD1-CB 3.24Å; D284-C286 PolarHBondContact OD1-N 3.47Å; D284-C286 PolarHBondContact OD1-SG 3.04Å; C286-G296 WeakPolarHBondContact O-CA 3.05Å; C286-T297 PolarHBondContact O-N 3.24Å; C286-T297 PolarHBondContact O-OG1 3.28Å; C286-C317 VanDerWaalsContact CA-SG 3.57Å; C286-C317 HydrophobicContact CB-CB 3.65Å; C286-C317 WeakPolarHBondContact CB-SG 3.36Å; C286-C317 WeakPolarHBondContact SG-CB 2.95Å; C286-C317 CovalentContact SG-SG 2.01Å; C286-C317 PolarHBondContact SG-SG 3.48Å; C286-R319 PolarHBondContact O-NH1 3.34Å
287	T	95.3	Very high	93.1	Very high	79 Å²	79	52.4 Å²	52.4	49%	0.485	27%	0.273	S	S	.	.	S	Bend	trans	-103.3	146.8	-178.4	60.1	0	0	0	0	111	N289 S294	T287-N289 PolarHBondContact O-N 3.46Å; T287-S294 VanDerWaalsContact O-CB 3.32Å; T287-S294 WeakPolarHBondContact O-CB 3.43Å; T287-S294 PolarHBondContact O-OG 3Å
288	K	94.4	Very high	93.1	Very high	147 Å²	147	58.2 Å²	58.2	64%	0.639	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	120.4	176.2	-177.2	178.7	176.9	-176.6	0	109.4	E290	K288-E290 IonicContact NZ-OE1 3.83Å
289	N	92.7	Very high	93	Very high	56 Å²	56	62.4 Å²	62.4	30%	0.299	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	96.7	177	-171.2	-24.9	0	0	0	110.7	T287 K291 L292 G293 S294	T287-N289 PolarHBondContact O-N 3.46Å; N289-K291 VanDerWaalsContact C-N 3.26Å; N289-K291 PolarHBondContact O-N 3.46Å; N289-K291 WeakPolarHBondContact OD1-CB 3.32Å; N289-K291 PolarHBondContact OD1-N 3.43Å; N289-K291 VanDerWaalsContact OD1-N 3.12Å; N289-L292 HydrophobicContact CB-CB 4.35Å; N289-L292 WeakPolarHBondContact ND2-CD1 3.49Å; N289-L292 PolarHBondContact O-N 3.44Å; N289-L292 VanDerWaalsContact O-N 3.09Å; N289-L292 PolarHBondContact OD1-N 2.99Å; N289-G293 PolarHBondContact O-N 2.84Å; N289-S294 CarbonylContact C-O 3.59Å; N289-S294 PolarHBondContact N-O 3.31Å; N289-S294 PolarHBondContact O-N 2.91Å
290	E	88.1	Confident	93.1	Very high	117 Å²	117	63 Å²	63	55%	0.547	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31	-178.1	-64	-176.8	177.9	0	0	112.9	K288 L292 G293	K288-E290 IonicContact NZ-OE1 3.83Å; E290-L292 PolarHBondContact O-N 2.91Å; E290-G293 PolarHBondContact O-N 3.36Å; E290-G293 VanDerWaalsContact O-N 3.16Å
291	K	87.8	Confident	93.2	Very high	172 Å²	172	63.4 Å²	63.4	75%	0.748	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.6	177.4	-62.7	-177.2	-179.7	177.1	0	113.1	P105 N289	P105-K291 WeakPolarHBondContact CG-O 3.49Å; N289-K291 VanDerWaalsContact C-N 3.26Å; N289-K291 PolarHBondContact O-N 3.46Å; N289-K291 WeakPolarHBondContact OD1-CB 3.32Å; N289-K291 PolarHBondContact OD1-N 3.43Å; N289-K291 VanDerWaalsContact OD1-N 3.12Å
292	L	87.1	Confident	93.3	Very high	63 Å²	63	60.6 Å²	60.6	33%	0.33	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-9.6	174.3	-63.2	-177.7	0	0	0	112.4	D106 P283 N289 E290	D106-L292 PolarHBondContact N-O 3.18Å; P283-L292 HydrophobicContact CB-CB 3.72Å; P283-L292 HydrophobicContact CB-CD1 3.99Å; P283-L292 HydrophobicContact CB-CG 4.32Å; P283-L292 HydrophobicContact CG-CB 4.23Å; N289-L292 HydrophobicContact CB-CB 4.35Å; N289-L292 WeakPolarHBondContact ND2-CD1 3.49Å; N289-L292 PolarHBondContact O-N 3.44Å; N289-L292 VanDerWaalsContact O-N 3.09Å; N289-L292 PolarHBondContact OD1-N 2.99Å; E290-L292 PolarHBondContact O-N 2.91Å
293	G	86.6	Confident	93.5	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.01	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	8.7	-176.8	0	0	0	0	0	114.6	S93 D106 N289 E290	S93-G293 PolarHBondContact OG-O 3.28Å; D106-G293 WeakPolarHBondContact OD1-CA 3.45Å; N289-G293 PolarHBondContact O-N 2.84Å; E290-G293 PolarHBondContact O-N 3.36Å; E290-G293 VanDerWaalsContact O-N 3.16Å
294	S	93	Very high	93.5	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.2	176.5	177.2	0	0	0	0	111.9	D284 F285 T287 N289 G296	D284-S294 WeakPolarHBondContact O-CB 3.32Å; F285-S294 VanDerWaalsContact CA-OG 3.32Å; F285-S294 WeakPolarHBondContact CA-OG 3.38Å; F285-S294 PolarHBondContact O-OG 3.48Å; T287-S294 VanDerWaalsContact O-CB 3.32Å; T287-S294 WeakPolarHBondContact O-CB 3.43Å; T287-S294 PolarHBondContact O-OG 3Å; N289-S294 CarbonylContact C-O 3.59Å; N289-S294 PolarHBondContact N-O 3.31Å; N289-S294 PolarHBondContact O-N 2.91Å; S294-G296 PolarHBondContact OG-N 3.14Å; S294-G296 VanDerWaalsContact OG-N 3.14Å
295	V	92	Very high	93.6	Very high	51 Å²	51	67.9 Å²	67.9	31%	0.309	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-13.5	169.4	-69.7	0	0	0	0	113.3	S92	S92-V295 WeakPolarHBondContact OG-CG1 3.2Å
296	G	94.9	Very high	93.5	Very high	8 Å²	8	68.3 Å²	68.3	8%	0.082	35%	0.346	C	S	.	.			trans	80.9	169.6	-172.9	0	0	0	0	0	113.3	F285 C286 S294	F285-G296 CarbonylContact O-C 3.59Å; F285-G296 WeakPolarHBondContact O-CA 3.37Å; C286-G296 WeakPolarHBondContact O-CA 3.05Å; S294-G296 PolarHBondContact OG-N 3.14Å; S294-G296 VanDerWaalsContact OG-N 3.14Å
297	T	96.7	Very high	93.4	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.385	C	S	.	.	S	Bend	trans	-111.9	5.8	178.5	60.8	0	0	0	0	114.4	R88 C286 R300 M315 R319 C356	R88-T297 HydrophobicContact CB-CG2 3.86Å; R88-T297 HydrophobicContact CG-CG2 3.99Å; C286-T297 PolarHBondContact O-N 3.24Å; C286-T297 PolarHBondContact O-OG1 3.28Å; T297-R300 VanDerWaalsContact O-CB 3.31Å; T297-R300 WeakPolarHBondContact O-CB 3.29Å; T297-R300 WeakPolarHBondContact O-CG 3.42Å; T297-R300 PolarHBondContact O-N 3.25Å; T297-M315 WeakPolarHBondContact CB-O 3.43Å; T297-M315 WeakPolarHBondContact CG2-O 3.43Å; T297-M315 HydrophobicContact CG2-SD 4.29Å; T297-M315 PolarHBondContact OG1-O 3.17Å; T297-R319 PolarHBondContact OG1-NH2 2.02Å; T297-C356 WeakPolarHBondContact O-CB 3.49Å
298	Q	96	Very high	93.2	Very high	124 Å²	124	72.3 Å²	72.3	58%	0.579	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	140.4	173.3	-173	170.2	14.8	0	0	110.7	R300 K357	Q298-R300 PolarHBondContact O-N 3.36Å; Q298-K357 PolarHBondContact NE2-OXT 3.41Å
299	D	95.2	Very high	93.2	Very high	114 Å²	114	67.1 Å²	67.1	61%	0.61	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	11.1	-178.5	-53.9	-46.2	0	0	0	115.4	C356	D299-C356 PolarHBondContact N-O 3.35Å
300	R	95.8	Very high	93.3	Very high	33 Å²	33	66.6 Å²	66.6	13%	0.125	36%	0.355	C	S	.	.			trans	-79.4	136.8	175.1	-69.4	-162.8	61	-171.7	-9.1	111.3	A85 M87 R88 T297 Q298 M315 V355 C356	A85-R300 PolarHBondContact O-NH2 2.97Å; M87-R300 VanDerWaalsContact O-CZ 3.25Å; M87-R300 PolarHBondContact O-NH1 3.08Å; M87-R300 PolarHBondContact O-NH2 3.17Å; R88-R300 VanDerWaalsContact C-NH1 3.33Å; R88-R300 PolarHBondContact O-NH1 2.9Å; T297-R300 VanDerWaalsContact O-CB 3.31Å; T297-R300 WeakPolarHBondContact O-CB 3.29Å; T297-R300 WeakPolarHBondContact O-CG 3.42Å; T297-R300 PolarHBondContact O-N 3.25Å; Q298-R300 PolarHBondContact O-N 3.36Å; R300-M315 HydrophobicContact CB-CG 4.37Å; R300-M315 VanDerWaalsContact CZ-SD 3.51Å; R300-V355 CarbonylContact O-C 3.47Å; R300-V355 VanDerWaalsContact O-CA 3.31Å; R300-V355 WeakPolarHBondContact O-CA 3.49Å; R300-C356 PolarHBondContact O-N 3.47Å; R300-C356 PolarHBondContact O-SG 3.36Å
301	Q	95.6	Very high	93.8	Very high	108 Å²	108	61.3 Å²	61.3	51%	0.505	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.5	171.3	-71.1	-179.4	54	0	0	110.6	R353 Y354 V355	Q301-R353 VanDerWaalsContact OE1-NH1 3.08Å; Q301-Y354 WeakPolarHBondContact CA-O 3.26Å; Q301-V355 HydrophobicContact CG-CG1 4.11Å
302	C	96.5	Very high	94.2	Very high	15 Å²	15	53.3 Å²	53.3	10%	0.101	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	162.2	174.9	69.3	0	0	0	0	110.9	D310 C312 M315 C316 Y354	C302-D310 WeakPolarHBondContact CA-O 3.38Å; C302-C312 HydrophobicContact CB-CB 3.83Å; C302-C312 WeakPolarHBondContact CB-SG 3.38Å; C302-C312 WeakPolarHBondContact SG-CA 3.24Å; C302-C312 WeakPolarHBondContact SG-CB 3.37Å; C302-C312 CovalentContact SG-SG 2.04Å; C302-C312 PolarHBondContact SG-SG 3.3Å; C302-M315 HydrophobicContact CB-CB 4.02Å; C302-M315 HydrophobicContact CB-CG 4.25Å; C302-C316 VanDerWaalsContact SG-SG 3.62Å; C302-Y354 PolarHBondContact N-O 2.87Å
303	N	96.1	Very high	94.6	Very high	60 Å²	60	56.2 Å²	56.2	32%	0.321	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-110.8	111.9	179.4	-174.4	-11.4	0	0	0	110.6	T305 S306 D310 S311 C312	N303-T305 PolarHBondContact O-N 3.11Å; N303-T305 PolarHBondContact OD1-N 3.28Å; N303-T305 PolarHBondContact OD1-OG1 3.45Å; N303-S306 PolarHBondContact O-N 3.43Å; N303-S306 PolarHBondContact OD1-N 3.3Å; N303-D310 WeakPolarHBondContact CB-OD2 3.4Å; N303-D310 PolarHBondContact N-O 2.87Å; N303-S311 VanDerWaalsContact O-CA 3.31Å; N303-S311 WeakPolarHBondContact O-CA 3.2Å; N303-C312 VanDerWaalsContact C-SG 3.57Å; N303-C312 PolarHBondContact O-N 3.34Å
304	K	94.6	Very high	95	Very high	118 Å²	118	60 Å²	60	51%	0.513	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26	179.3	-179.1	178.6	178.2	-174.3	0	113.3	C312 Y321 Y354	K304-C312 PolarHBondContact N-SG 2.92Å; K304-Y321 HydrophobicContact CD-CE2 4.18Å; K304-Y321 WeakPolarHBondContact CD-OH 3.44Å; K304-Y321 WeakPolarHBondContact CE-OH 3.36Å; K304-Y321 HydrophobicContact CG-CE2 4.5Å; K304-Y321 WeakPolarHBondContact CG-OH 3.39Å; K304-Y354 HydrophobicContact CB-CD2 3.82Å; K304-Y354 HydrophobicContact CB-CE2 3.61Å; K304-Y354 HydrophobicContact CD-CE1 4.18Å; K304-Y354 HydrophobicContact CD-CE2 4.04Å; K304-Y354 HydrophobicContact CG-CE2 4.48Å
305	T	94.1	Very high	95.2	Very high	127 Å²	127	60 Å²	60	78%	0.779	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-13.1	-177.8	63.2	0	0	0	0	113.6	N303	N303-T305 PolarHBondContact O-N 3.11Å; N303-T305 PolarHBondContact OD1-N 3.28Å; N303-T305 PolarHBondContact OD1-OG1 3.45Å
306	S	95.4	Very high	95.4	Very high	30 Å²	30	57.7 Å²	57.7	21%	0.21	32%	0.318	C	S	.	.			trans	-77.8	147.5	179.8	-175.1	0	0	0	0	111.2	N303 G308 D310 S311	N303-S306 PolarHBondContact O-N 3.43Å; N303-S306 PolarHBondContact OD1-N 3.3Å; S306-G308 PolarHBondContact OG-N 3.02Å; S306-D310 VanDerWaalsContact CB-OD1 3.3Å; S306-D310 WeakPolarHBondContact CB-OD1 3.41Å; S306-D310 WeakPolarHBondContact CB-OD2 3.35Å; S306-D310 VanDerWaalsContact OG-CG 3.31Å; S306-D310 PolarHBondContact OG-OD1 3.2Å; S306-D310 PolarHBondContact OG-OD2 3.34Å; S306-S311 WeakPolarHBondContact O-CB 3.41Å
307	V	92.8	Very high	95.5	Very high	146 Å²	146	59 Å²	59	89%	0.885	33%	0.325	S	S	*	.			trans	-101.7	-3.2	168	-63.2	0	0	0	0	112.2
308	G	92.4	Very high	95.4	Very high	28 Å²	28	62.4 Å²	62.4	29%	0.289	36%	0.36	S	S	.	.	S	Bend	trans	-84.6	-168.3	-177.9	0	0	0	0	0	113.6	S306 D310 S311	S306-G308 PolarHBondContact OG-N 3.02Å; G308-D310 PolarHBondContact O-N 2.81Å; G308-S311 WeakPolarHBondContact O-CB 3.37Å; G308-S311 PolarHBondContact O-N 2.86Å; G308-S311 PolarHBondContact O-OG 3.39Å
309	S	94.1	Very high	95.4	Very high	37 Å²	37	60.6 Å²	60.6	26%	0.259	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.5	-179.5	57	0	0	0	0	114	D86 S311	D86-S309 CarbonylContact O-C 3.58Å; D86-S309 WeakPolarHBondContact O-CB 3.42Å; D86-S309 PolarHBondContact O-OG 2.84Å; S309-S311 VanDerWaalsContact C-N 3.27Å
310	D	95.6	Very high	95.4	Very high	45 Å²	45	56.3 Å²	56.3	24%	0.241	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.3	173.7	65.9	-41.5	0	0	0	113.4	D86 C302 N303 S306 G308	D86-D310 HydrophobicContact CB-CB 3.99Å; D86-D310 PolarHBondContact O-N 3.47Å; D86-D310 VanDerWaalsContact O-N 3.16Å; C302-D310 WeakPolarHBondContact CA-O 3.38Å; N303-D310 WeakPolarHBondContact CB-OD2 3.4Å; N303-D310 PolarHBondContact N-O 2.87Å; S306-D310 VanDerWaalsContact CB-OD1 3.3Å; S306-D310 WeakPolarHBondContact CB-OD1 3.41Å; S306-D310 WeakPolarHBondContact CB-OD2 3.35Å; S306-D310 VanDerWaalsContact OG-CG 3.31Å; S306-D310 PolarHBondContact OG-OD1 3.2Å; S306-D310 PolarHBondContact OG-OD2 3.34Å; G308-D310 PolarHBondContact O-N 2.81Å
311	S	97.3	Very high	95.4	Very high	7 Å²	7	57.8 Å²	57.8	5%	0.049	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-56.2	143.7	176.5	64.3	0	0	0	0	111.4	N303 S306 G308 S309 D313 L314 M315	N303-S311 VanDerWaalsContact O-CA 3.31Å; N303-S311 WeakPolarHBondContact O-CA 3.2Å; S306-S311 WeakPolarHBondContact O-CB 3.41Å; G308-S311 WeakPolarHBondContact O-CB 3.37Å; G308-S311 PolarHBondContact O-N 2.86Å; G308-S311 PolarHBondContact O-OG 3.39Å; S309-S311 VanDerWaalsContact C-N 3.27Å; S311-D313 PolarHBondContact O-N 3.3Å; S311-L314 PolarHBondContact O-N 2.64Å; S311-L314 WeakPolarHBondContact OG-CB 3.26Å; S311-L314 WeakPolarHBondContact OG-CG 3.42Å; S311-L314 PolarHBondContact OG-N 2.9Å; S311-M315 VanDerWaalsContact O-CB 3.24Å; S311-M315 WeakPolarHBondContact O-CB 3.3Å; S311-M315 PolarHBondContact O-N 3.29Å
312	C	96.7	Very high	95.5	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.027	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-32.6	179.2	-67.6	0	0	0	0	112.9	C302 N303 K304 C316 Y321	C302-C312 HydrophobicContact CB-CB 3.83Å; C302-C312 WeakPolarHBondContact CB-SG 3.38Å; C302-C312 WeakPolarHBondContact SG-CA 3.24Å; C302-C312 WeakPolarHBondContact SG-CB 3.37Å; C302-C312 CovalentContact SG-SG 2.04Å; C302-C312 PolarHBondContact SG-SG 3.3Å; N303-C312 VanDerWaalsContact C-SG 3.57Å; N303-C312 PolarHBondContact O-N 3.34Å; K304-C312 PolarHBondContact N-SG 2.92Å; C312-C316 WeakPolarHBondContact O-CB 3.23Å; C312-C316 PolarHBondContact O-N 3.18Å; C312-C316 PolarHBondContact O-SG 3.25Å; C312-Y321 HydrophobicContact CB-CD1 3.38Å; C312-Y321 HydrophobicContact CB-CE1 3.5Å; C312-Y321 VanDerWaalsContact CB-CE1 3.5Å; C312-Y321 HydrophobicContact CB-CG 4Å
313	D	94.5	Very high	95.5	Very high	124 Å²	124	59.2 Å²	59.2	66%	0.663	35%	0.351	S	S	*	.	H	α-helix	trans	-65.1	-42	177.6	-61.8	-27.2	0	0	0	111.6	S311 C317	S311-D313 PolarHBondContact O-N 3.3Å; D313-C317 PolarHBondContact O-N 2.9Å
314	L	95.2	Very high	95.4	Very high	81 Å²	81	60 Å²	60	42%	0.424	35%	0.35	S	S	.	.	H	α-helix	trans	-80.6	-50.1	178	-64.8	-179.3	0	0	0	112.3	R88 S311 C316 C317	R88-L314 PolarHBondContact NE-O 3.31Å; R88-L314 PolarHBondContact NH2-O 2.91Å; S311-L314 PolarHBondContact O-N 2.64Å; S311-L314 WeakPolarHBondContact OG-CB 3.26Å; S311-L314 WeakPolarHBondContact OG-CG 3.42Å; S311-L314 PolarHBondContact OG-N 2.9Å; L314-C316 VanDerWaalsContact C-N 3.34Å; L314-C316 PolarHBondContact O-N 2.64Å; L314-C317 PolarHBondContact O-N 3Å
315	M	97	Very high	95.4	Very high	1 Å²	1	59 Å²	59	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-42	-176.8	-172.3	62.9	66.9	0	0	111.8	D86 T297 R300 C302 S311 C317	D86-M315 VanDerWaalsContact C-CE 3.49Å; D86-M315 VanDerWaalsContact O-CE 3.27Å; D86-M315 WeakPolarHBondContact O-CE 3.42Å; T297-M315 WeakPolarHBondContact CB-O 3.43Å; T297-M315 WeakPolarHBondContact CG2-O 3.43Å; T297-M315 HydrophobicContact CG2-SD 4.29Å; T297-M315 PolarHBondContact OG1-O 3.17Å; R300-M315 HydrophobicContact CB-CG 4.37Å; R300-M315 VanDerWaalsContact CZ-SD 3.51Å; C302-M315 HydrophobicContact CB-CB 4.02Å; C302-M315 HydrophobicContact CB-CG 4.25Å; S311-M315 VanDerWaalsContact O-CB 3.24Å; S311-M315 WeakPolarHBondContact O-CB 3.3Å; S311-M315 PolarHBondContact O-N 3.29Å; M315-C317 VanDerWaalsContact C-N 3.34Å
316	C	97.3	Very high	95.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0	-176.1	-48.6	0	0	0	0	113.8	C302 C312 L314 G318 R319 G320 C356	C302-C316 VanDerWaalsContact SG-SG 3.62Å; C312-C316 WeakPolarHBondContact O-CB 3.23Å; C312-C316 PolarHBondContact O-N 3.18Å; C312-C316 PolarHBondContact O-SG 3.25Å; L314-C316 VanDerWaalsContact C-N 3.34Å; L314-C316 PolarHBondContact O-N 2.64Å; C316-G318 PolarHBondContact O-N 3.29Å; C316-R319 WeakPolarHBondContact O-CB 3Å; C316-R319 PolarHBondContact O-N 3.08Å; C316-G320 WeakPolarHBondContact CB-O 3.41Å; C316-C356 WeakPolarHBondContact CA-SG 3.47Å; C316-C356 HydrophobicContact CB-CB 3.58Å; C316-C356 WeakPolarHBondContact CB-SG 3.48Å; C316-C356 PolarHBondContact N-SG 3.42Å; C316-C356 VanDerWaalsContact N-SG 3.43Å; C316-C356 WeakPolarHBondContact SG-CA 3.21Å; C316-C356 WeakPolarHBondContact SG-CB 3.44Å; C316-C356 CovalentContact SG-SG 2.04Å; C316-C356 PolarHBondContact SG-SG 3.24Å
317	C	96.3	Very high	95.4	Very high	36 Å²	36	58 Å²	58	24%	0.243	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.9	174.4	-48.9	0	0	0	0	113.4	R88 C286 D313 L314 M315 R319	R88-C317 PolarHBondContact NE-SG 3.36Å; R88-C317 VanDerWaalsContact NE-SG 3.43Å; C286-C317 VanDerWaalsContact CA-SG 3.57Å; C286-C317 HydrophobicContact CB-CB 3.65Å; C286-C317 WeakPolarHBondContact CB-SG 3.36Å; C286-C317 WeakPolarHBondContact SG-CB 2.95Å; C286-C317 CovalentContact SG-SG 2.01Å; C286-C317 PolarHBondContact SG-SG 3.48Å; D313-C317 PolarHBondContact O-N 2.9Å; L314-C317 PolarHBondContact O-N 3Å; M315-C317 VanDerWaalsContact C-N 3.34Å; C317-R319 PolarHBondContact O-N 3.07Å
318	G	94.3	Very high	95.5	Very high	71 Å²	71	53.2 Å²	53.2	73%	0.732	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	0.4	-179.5	0	0	0	0	0	116.2	C316 G320	C316-G318 PolarHBondContact O-N 3.29Å; G318-G320 PolarHBondContact O-N 3.29Å
319	R	95.8	Very high	95.6	Very high	86 Å²	86	56.1 Å²	56.1	33%	0.325	32%	0.324	S	S	.	.	S	Bend	trans	-71.9	-10.9	177.1	-61	-168.5	-58.5	-81.5	-1.4	113.8	C286 T297 C316 C317 K357	C286-R319 PolarHBondContact O-NH1 3.34Å; T297-R319 PolarHBondContact OG1-NH2 2.02Å; C316-R319 WeakPolarHBondContact O-CB 3Å; C316-R319 PolarHBondContact O-N 3.08Å; C317-R319 PolarHBondContact O-N 3.07Å; R319-K357 PolarHBondContact NE-O 3.25Å; R319-K357 PolarHBondContact NH2-O 3.45Å; R319-K357 WeakPolarHBondContact O-CD 3.39Å
320	G	95.5	Very high	95.6	Very high	24 Å²	24	58.6 Å²	58.6	25%	0.247	33%	0.331	C	S	.	.			trans	82.4	-179	-171.1	0	0	0	0	0	113	C316 G318 K357	C316-G320 WeakPolarHBondContact CB-O 3.41Å; G318-G320 PolarHBondContact O-N 3.29Å; G320-K357 PolarHBondContact O-N 2.76Å; G320-K357 VanDerWaalsContact O-N 3.13Å
321	Y	97.1	Very high	95.6	Very high	64 Å²	64	66.6 Å²	66.6	25%	0.251	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.3	-175.1	50.3	-89.4	0	0	0	110.9	K304 C312 Y354 V355	K304-Y321 HydrophobicContact CD-CE2 4.18Å; K304-Y321 WeakPolarHBondContact CD-OH 3.44Å; K304-Y321 WeakPolarHBondContact CE-OH 3.36Å; K304-Y321 HydrophobicContact CG-CE2 4.5Å; K304-Y321 WeakPolarHBondContact CG-OH 3.39Å; C312-Y321 HydrophobicContact CB-CD1 3.38Å; C312-Y321 HydrophobicContact CB-CE1 3.5Å; C312-Y321 VanDerWaalsContact CB-CE1 3.5Å; C312-Y321 HydrophobicContact CB-CG 4Å; Y321-Y354 AromaticContact CD2-CD1 3.49Å; Y321-Y354 HydrophobicContact CD2-CD1 3.49Å; Y321-Y354 VanDerWaalsContact CD2-CD1 3.49Å; Y321-Y354 HydrophobicContact CD2-CE1 4.31Å; Y321-Y354 AromaticContact CD2-CG 3.87Å; Y321-Y354 HydrophobicContact CD2-CG 3.87Å; Y321-Y354 AromaticContact CE2-CD1 3.6Å; Y321-Y354 HydrophobicContact CE2-CD1 3.6Å; Y321-Y354 AromaticContact CE2-CE1 4Å; Y321-Y354 HydrophobicContact CE2-CE1 4Å; Y321-Y354 HydrophobicContact CE2-CG 4.1Å; Y321-V355 CarbonylContact C-O 3.43Å; Y321-V355 WeakPolarHBondContact CA-O 3.13Å; Y321-V355 VanDerWaalsContact CB-O 3.27Å; Y321-V355 WeakPolarHBondContact CB-O 3.33Å
322	N	96.6	Very high	95.5	Very high	76 Å²	76	67.1 Å²	67.1	41%	0.406	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.5	176.2	-64.7	-37.3	0	0	0	109.6	Y354 V355 K357	N322-Y354 WeakPolarHBondContact O-CA 3.43Å; N322-V355 HydrophobicContact CB-CG2 4.29Å; N322-V355 PolarHBondContact N-O 2.94Å; N322-V355 PolarHBondContact O-N 3.06Å; N322-K357 WeakPolarHBondContact OD1-CE 3.29Å
323	P	96.1	Very high	95.5	Very high	77 Å²	77	73.6 Å²	73.6	50%	0.5	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	145.4	169.3	30.9	-32.2	0	0	0	110.8	E352 R353 Y354	P323-E352 HydrophobicContact CB-CG 4.22Å; P323-E352 WeakPolarHBondContact CB-OE1 3.26Å; P323-R353 CarbonylContact C-O 3.49Å; P323-R353 VanDerWaalsContact CA-O 3.27Å; P323-R353 WeakPolarHBondContact CA-O 3.07Å; P323-Y354 HydrophobicContact CB-CD1 3.89Å; P323-Y354 HydrophobicContact CB-CE1 3.83Å
324	Y	94.6	Very high	95.6	Very high	76 Å²	76	71 Å²	71	30%	0.298	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.9	165.9	71.4	-77.2	0	0	0	109.7	E326 R353 V355	Y324-E326 HydrophobicContact CE2-CB 4.11Å; Y324-R353 HydrophobicContact CD1-CB 3.93Å; Y324-R353 WeakPolarHBondContact CD1-O 3.04Å; Y324-R353 HydrophobicContact CE1-CB 3.35Å; Y324-R353 HydrophobicContact CE2-CB 4.08Å; Y324-R353 VanDerWaalsContact CZ-CB 3.46Å; Y324-R353 PolarHBondContact N-O 2.9Å; Y324-R353 PolarHBondContact O-N 3.4Å; Y324-R353 VanDerWaalsContact OH-CD 3.28Å; Y324-R353 WeakPolarHBondContact OH-CD 3.37Å; Y324-V355 HydrophobicContact CD1-CG1 4.35Å; Y324-V355 HydrophobicContact CD1-CG2 4.14Å; Y324-V355 HydrophobicContact CE1-CG1 3.68Å; Y324-V355 HydrophobicContact CE1-CG2 4.31Å
325	T	95.1	Very high	95.6	Very high	99 Å²	99	74.1 Å²	74.1	61%	0.607	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.5	175.9	-56.2	0	0	0	0	109.2	N350 V351	T325-N350 HydrophobicContact CG2-CB 3.72Å; T325-V351 CarbonylContact C-O 3.34Å; T325-V351 WeakPolarHBondContact CA-O 3.41Å
326	E	93.6	Very high	95.5	Very high	65 Å²	65	81 Å²	81	30%	0.304	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.7	171.8	-173.7	-175.9	-123.7	0	0	109.1	Y324 L328 V351 R353	Y324-E326 HydrophobicContact CE2-CB 4.11Å; E326-L328 PolarHBondContact O-N 3.21Å; E326-L328 WeakPolarHBondContact OE2-CD2 3.4Å; E326-V351 HydrophobicContact CB-CG2 4.07Å; E326-V351 PolarHBondContact N-O 3.48Å; E326-V351 WeakPolarHBondContact O-CG2 3.04Å; E326-V351 PolarHBondContact O-N 2.76Å; E326-R353 IonicContact OE2-CZ 3.1Å; E326-R353 IonicContact OE2-NE 2.91Å; E326-R353 PolarHBondContact OE2-NE 3.26Å; E326-R353 IonicContact OE2-NH2 3.83Å; E326-R353 PolarHBondContact OE2-NH2 2.9Å
327	T	95.3	Very high	95.4	Very high	71 Å²	71	84.2 Å²	84.2	44%	0.436	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	108.8	173	-54.1	0	0	0	0	109.1	E348 N350	T327-E348 HydrophobicContact CG2-CB 3.83Å; T327-E348 HydrophobicContact CG2-CG 4.26Å; T327-N350 PolarHBondContact OG1-OD1 3.02Å
328	L	94.1	Very high	95.1	Very high	45 Å²	45	93.7 Å²	93.7	24%	0.236	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.3	174.1	-70.5	179.5	0	0	0	110.1	E326 E348 R349 V351	E326-L328 PolarHBondContact O-N 3.21Å; E326-L328 WeakPolarHBondContact OE2-CD2 3.4Å; L328-E348 WeakPolarHBondContact O-CA 3.32Å; L328-R349 PolarHBondContact N-O 3.18Å; L328-R349 PolarHBondContact O-N 3.43Å; L328-V351 HydrophobicContact CD1-CB 4.32Å; L328-V351 HydrophobicContact CD1-CG1 3.66Å; L328-V351 HydrophobicContact CD1-CG2 3.65Å; L328-V351 HydrophobicContact CG-CG1 4.31Å; L328-V351 HydrophobicContact CG-CG2 3.75Å
329	V	95.3	Very high	94.3	Very high	89 Å²	89	95 Å²	95	54%	0.539	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.2	172.3	-172.1	0	0	0	0	108.7	K346 C347 E348	V329-K346 HydrophobicContact CG1-CB 4.05Å; V329-K346 HydrophobicContact CG1-CD 4.32Å; V329-K346 HydrophobicContact CG1-CG 4.37Å; V329-C347 CarbonylContact C-O 3.5Å; V329-C347 WeakPolarHBondContact CA-O 3.44Å; V329-E348 HydrophobicContact CG2-CG 4.27Å
330	E	94.6	Very high	94.1	Very high	88 Å²	88	96.2 Å²	96.2	41%	0.411	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157	178.3	67.8	-169.3	176.9	0	0	112	C332 C347 R349	E330-C332 PolarHBondContact O-N 3.4Å; E330-C347 PolarHBondContact N-O 3.5Å; E330-C347 PolarHBondContact O-N 3.3Å; E330-R349 IonicContact OE1-NE 2.87Å; E330-R349 IonicContact OE2-NH2 2.76Å
331	R	95.5	Very high	93.9	Very high	213 Å²	213	101.5 Å²	101.5	80%	0.804	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.1	173.5	-70.3	-177.1	-179.6	177.9	0.1	108.3	C344 K345	R331-C344 HydrophobicContact CB-CB 3.83Å; R331-C344 HydrophobicContact CG-CB 4.21Å; R331-K345 WeakPolarHBondContact CA-O 3.09Å
332	C	95.6	Very high	93.9	Very high	19 Å²	19	102.5 Å²	102.5	13%	0.128	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	167	-177.4	64	0	0	0	0	110.2	E330 C334 K345 C347	E330-C332 PolarHBondContact O-N 3.4Å; C332-C334 PolarHBondContact O-N 2.03Å; C332-C334 VanDerWaalsContact O-N 3.11Å; C332-K345 PolarHBondContact N-O 3.22Å; C332-K345 PolarHBondContact O-N 2.03Å; C332-K345 PolarHBondContact SG-O 2.84Å; C332-C347 HydrophobicContact CB-CB 3.58Å; C332-C347 WeakPolarHBondContact CB-SG 3.14Å; C332-C347 WeakPolarHBondContact SG-CB 3.42Å; C332-C347 PolarHBondContact SG-N 2.04Å; C332-C347 CovalentContact SG-SG 1.99Å; C332-C347 PolarHBondContact SG-SG 2.76Å
333	H	96.1	Very high	93.9	Very high	139 Å²	139	101.8 Å²	101.8	64%	0.644	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.3	43.6	176.5	-55.6	-64.1	0	0	0	112.9	K335 K345	H333-K335 PolarHBondContact O-N 2.86Å; H333-K345 HydrophobicContact CB-CD 4.48Å
334	C	96.4	Very high	93.9	Very high	69 Å²	69	100.3 Å²	100.3	47%	0.466	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	124.1	-179.2	-64.4	0	0	0	0	110.6	C332 V342 T343 C344	C332-C334 PolarHBondContact O-N 2.03Å; C332-C334 VanDerWaalsContact O-N 3.11Å; C334-V342 HydrophobicContact CB-CG1 3.8Å; C334-T343 CarbonylContact C-O 3.55Å; C334-T343 WeakPolarHBondContact CA-O 3.1Å; C334-C344 HydrophobicContact CB-CB 4.1Å; C334-C344 WeakPolarHBondContact CB-SG 3.26Å; C334-C344 WeakPolarHBondContact SG-CB 3.41Å; C334-C344 CovalentContact SG-SG 2.04Å; C334-C344 PolarHBondContact SG-SG 2.8Å
335	K	95.4	Very high	94	Very high	147 Å²	147	103.6 Å²	103.6	64%	0.639	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.3	172.5	-65.9	-173.6	178.1	-173.3	0	109.1	H333 V342 T343	H333-K335 PolarHBondContact O-N 2.86Å; K335-V342 WeakPolarHBondContact O-CA 3.02Å; K335-T343 PolarHBondContact N-O 2.83Å; K335-T343 PolarHBondContact O-N 3.49Å; K335-T343 PolarHBondContact O-OG1 3.33Å
336	Y	95.6	Very high	94.1	Very high	146 Å²	146	107.5 Å²	107.5	57%	0.573	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.7	170.2	177.1	-99	0	0	0	109.1	W338 V342	Y336-W338 HydrophobicContact CE1-CB 4.38Å; Y336-V342 HydrophobicContact CD2-CG2 3.9Å
337	H	94.3	Very high	94.2	Very high	68 Å²	68	106 Å²	106	32%	0.315	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.9	171.7	-63.3	-85.9	0	0	0	108.3	C339 C340 Y341 T343	H337-C339 PolarHBondContact O-N 3.06Å; H337-C340 PolarHBondContact O-N 3.33Å; H337-Y341 HydrophobicContact CB-CD1 4.35Å; H337-Y341 HydrophobicContact CB-CD2 4.35Å; H337-Y341 HydrophobicContact CB-CE1 3.95Å; H337-Y341 HydrophobicContact CB-CE2 3.96Å; H337-Y341 AromaticContact CD2-CD2 3.89Å; H337-Y341 AromaticContact CD2-CE2 3.43Å; H337-Y341 VanDerWaalsContact CD2-CE2 3.43Å; H337-Y341 WeakPolarHBondContact CD2-CE2 3.07Å; H337-Y341 AromaticContact CG-CE2 3.76Å; H337-Y341 AromaticContact CG-CZ 3.85Å; H337-Y341 PolarHBondContact N-O 3.45Å; H337-T343 PolarHBondContact CD2-OG1 3.27Å; H337-T343 PolarHBondContact NE2-OG1 3.39Å
338	W	89.3	Confident	94.3	Very high	235 Å²	235	109.7 Å²	109.7	89%	0.89	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	127.8	173	-166.2	84.9	0	0	0	108.1	Y336	Y336-W338 HydrophobicContact CE1-CB 4.38Å
339	C	78.4	Confident	94.4	Very high	100 Å²	100	113 Å²	113	68%	0.676	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	27.8	-155.2	-150	0	0	0	0	115.8	H337	H337-C339 PolarHBondContact O-N 3.06Å
340	C	90.6	Very high	94.3	Very high	111 Å²	111	114.1 Å²	114.1	75%	0.75	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	23.8	144.3	-52.5	0	0	0	0	119.2	H337	H337-C340 PolarHBondContact O-N 3.33Å
341	Y	93	Very high	94.3	Very high	134 Å²	134	110.9 Å²	110.9	53%	0.525	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.3	171.2	65.2	-83.7	0	0	0	112.9	H337 T343	H337-Y341 HydrophobicContact CB-CD1 4.35Å; H337-Y341 HydrophobicContact CB-CD2 4.35Å; H337-Y341 HydrophobicContact CB-CE1 3.95Å; H337-Y341 HydrophobicContact CB-CE2 3.96Å; H337-Y341 AromaticContact CD2-CD2 3.89Å; H337-Y341 AromaticContact CD2-CE2 3.43Å; H337-Y341 VanDerWaalsContact CD2-CE2 3.43Å; H337-Y341 WeakPolarHBondContact CD2-CE2 3.07Å; H337-Y341 AromaticContact CG-CE2 3.76Å; H337-Y341 AromaticContact CG-CZ 3.85Å; H337-Y341 PolarHBondContact N-O 3.45Å; Y341-T343 HydrophobicContact CD2-CG2 3.81Å; Y341-T343 HydrophobicContact CE2-CG2 3.68Å
342	V	96.1	Very high	94.3	Very high	85 Å²	85	106.3 Å²	106.3	52%	0.515	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.9	176.7	179.8	0	0	0	0	108.1	C334 K335 Y336	C334-V342 HydrophobicContact CB-CG1 3.8Å; K335-V342 WeakPolarHBondContact O-CA 3.02Å; Y336-V342 HydrophobicContact CD2-CG2 3.9Å
343	T	95.9	Very high	94.3	Very high	61 Å²	61	109 Å²	109	37%	0.374	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120	169.5	57	0	0	0	0	109	C334 K335 H337 Y341	C334-T343 CarbonylContact C-O 3.55Å; C334-T343 WeakPolarHBondContact CA-O 3.1Å; K335-T343 PolarHBondContact N-O 2.83Å; K335-T343 PolarHBondContact O-N 3.49Å; K335-T343 PolarHBondContact O-OG1 3.33Å; H337-T343 PolarHBondContact CD2-OG1 3.27Å; H337-T343 PolarHBondContact NE2-OG1 3.39Å; Y341-T343 HydrophobicContact CD2-CG2 3.81Å; Y341-T343 HydrophobicContact CE2-CG2 3.68Å
344	C	97.4	Very high	94.3	Very high	46 Å²	46	104 Å²	104	31%	0.311	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.9	173	-55.3	0	0	0	0	109.9	R331 C334	R331-C344 HydrophobicContact CB-CB 3.83Å; R331-C344 HydrophobicContact CG-CB 4.21Å; C334-C344 HydrophobicContact CB-CB 4.1Å; C334-C344 WeakPolarHBondContact CB-SG 3.26Å; C334-C344 WeakPolarHBondContact SG-CB 3.41Å; C334-C344 CovalentContact SG-SG 2.04Å; C334-C344 PolarHBondContact SG-SG 2.8Å
345	K	97.1	Very high	94.4	Very high	145 Å²	145	102 Å²	102	63%	0.63	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	156.3	163.8	-65.1	-176.5	178.1	-175.8	0	108.9	R331 C332 H333	R331-K345 WeakPolarHBondContact CA-O 3.09Å; C332-K345 PolarHBondContact N-O 3.22Å; C332-K345 PolarHBondContact O-N 2.03Å; C332-K345 PolarHBondContact SG-O 2.84Å; H333-K345 HydrophobicContact CB-CD 4.48Å
346	K	96.6	Very high	94.5	Very high	181 Å²	181	95 Å²	95	79%	0.787	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.2	165.2	-66.4	-178.4	-178.9	179	0	107.1	V329	V329-K346 HydrophobicContact CG1-CB 4.05Å; V329-K346 HydrophobicContact CG1-CD 4.32Å; V329-K346 HydrophobicContact CG1-CG 4.37Å
347	C	96.5	Very high	94.5	Very high	35 Å²	35	93.5 Å²	93.5	24%	0.236	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.6	169.6	-74.3	0	0	0	0	109.1	V329 E330 C332	V329-C347 CarbonylContact C-O 3.5Å; V329-C347 WeakPolarHBondContact CA-O 3.44Å; E330-C347 PolarHBondContact N-O 3.5Å; E330-C347 PolarHBondContact O-N 3.3Å; C332-C347 HydrophobicContact CB-CB 3.58Å; C332-C347 WeakPolarHBondContact CB-SG 3.14Å; C332-C347 WeakPolarHBondContact SG-CB 3.42Å; C332-C347 PolarHBondContact SG-N 2.04Å; C332-C347 CovalentContact SG-SG 1.99Å; C332-C347 PolarHBondContact SG-SG 2.76Å
348	E	96.7	Very high	94.5	Very high	147 Å²	147	94.8 Å²	94.8	69%	0.687	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.2	175	-61.2	-172.5	178.3	0	0	108.6	T327 L328 V329	T327-E348 HydrophobicContact CG2-CB 3.83Å; T327-E348 HydrophobicContact CG2-CG 4.26Å; L328-E348 WeakPolarHBondContact O-CA 3.32Å; V329-E348 HydrophobicContact CG2-CG 4.27Å
349	R	95.1	Very high	94.8	Very high	114 Å²	114	87.4 Å²	87.4	43%	0.43	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.3	175.8	169.5	170.1	66.6	104.8	-2.2	108.5	L328 E330 V351	L328-R349 PolarHBondContact N-O 3.18Å; L328-R349 PolarHBondContact O-N 3.43Å; E330-R349 IonicContact OE1-NE 2.87Å; E330-R349 IonicContact OE2-NH2 2.76Å; R349-V351 HydrophobicContact CG-CG1 4.02Å
350	N	95.1	Very high	95.7	Very high	113 Å²	113	86.7 Å²	86.7	60%	0.604	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.6	170.9	-69.4	-28.2	0	0	0	109.4	T325 T327	T325-N350 HydrophobicContact CG2-CB 3.72Å; T327-N350 PolarHBondContact OG1-OD1 3.02Å
351	V	94.5	Very high	96	Very high	20 Å²	20	85.3 Å²	85.3	12%	0.121	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.9	173.8	-63.2	0	0	0	0	110.5	T325 E326 L328 R349 R353	T325-V351 CarbonylContact C-O 3.34Å; T325-V351 WeakPolarHBondContact CA-O 3.41Å; E326-V351 HydrophobicContact CB-CG2 4.07Å; E326-V351 PolarHBondContact N-O 3.48Å; E326-V351 WeakPolarHBondContact O-CG2 3.04Å; E326-V351 PolarHBondContact O-N 2.76Å; L328-V351 HydrophobicContact CD1-CB 4.32Å; L328-V351 HydrophobicContact CD1-CG1 3.66Å; L328-V351 HydrophobicContact CD1-CG2 3.65Å; L328-V351 HydrophobicContact CG-CG1 4.31Å; L328-V351 HydrophobicContact CG-CG2 3.75Å; R349-V351 HydrophobicContact CG-CG1 4.02Å; V351-R353 HydrophobicContact CG2-CG 4.21Å
352	E	94.7	Very high	96.1	Very high	118 Å²	118	82.3 Å²	82.3	55%	0.551	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.3	168.8	-167.4	-178.7	-147.7	0	0	109.2	P323 Y354	P323-E352 HydrophobicContact CB-CG 4.22Å; P323-E352 WeakPolarHBondContact CB-OE1 3.26Å; E352-Y354 VanDerWaalsContact CD-OH 3.27Å; E352-Y354 HydrophobicContact CG-CE1 4.16Å; E352-Y354 PolarHBondContact OE2-OH 3.13Å
353	R	95.6	Very high	96.1	Very high	76 Å²	76	82.1 Å²	82.1	29%	0.287	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	159.9	174.4	-69.4	-164.1	-173.9	-113.3	7.2	110.3	Q301 P323 Y324 E326 V351	Q301-R353 VanDerWaalsContact OE1-NH1 3.08Å; P323-R353 CarbonylContact C-O 3.49Å; P323-R353 VanDerWaalsContact CA-O 3.27Å; P323-R353 WeakPolarHBondContact CA-O 3.07Å; Y324-R353 HydrophobicContact CD1-CB 3.93Å; Y324-R353 WeakPolarHBondContact CD1-O 3.04Å; Y324-R353 HydrophobicContact CE1-CB 3.35Å; Y324-R353 HydrophobicContact CE2-CB 4.08Å; Y324-R353 VanDerWaalsContact CZ-CB 3.46Å; Y324-R353 PolarHBondContact N-O 2.9Å; Y324-R353 PolarHBondContact O-N 3.4Å; Y324-R353 VanDerWaalsContact OH-CD 3.28Å; Y324-R353 WeakPolarHBondContact OH-CD 3.37Å; E326-R353 IonicContact OE2-CZ 3.1Å; E326-R353 IonicContact OE2-NE 2.91Å; E326-R353 PolarHBondContact OE2-NE 3.26Å; E326-R353 IonicContact OE2-NH2 3.83Å; E326-R353 PolarHBondContact OE2-NH2 2.9Å; V351-R353 HydrophobicContact CG2-CG 4.21Å
354	Y	96.8	Very high	96.2	Very high	34 Å²	34	83.6 Å²	83.6	13%	0.133	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.2	-177.4	-53.4	-79.1	0	0	0	110.4	Q301 C302 K304 Y321 N322 P323 E352	Q301-Y354 WeakPolarHBondContact CA-O 3.26Å; C302-Y354 PolarHBondContact N-O 2.87Å; K304-Y354 HydrophobicContact CB-CD2 3.82Å; K304-Y354 HydrophobicContact CB-CE2 3.61Å; K304-Y354 HydrophobicContact CD-CE1 4.18Å; K304-Y354 HydrophobicContact CD-CE2 4.04Å; K304-Y354 HydrophobicContact CG-CE2 4.48Å; Y321-Y354 AromaticContact CD2-CD1 3.49Å; Y321-Y354 HydrophobicContact CD2-CD1 3.49Å; Y321-Y354 VanDerWaalsContact CD2-CD1 3.49Å; Y321-Y354 HydrophobicContact CD2-CE1 4.31Å; Y321-Y354 AromaticContact CD2-CG 3.87Å; Y321-Y354 HydrophobicContact CD2-CG 3.87Å; Y321-Y354 AromaticContact CE2-CD1 3.6Å; Y321-Y354 HydrophobicContact CE2-CD1 3.6Å; Y321-Y354 AromaticContact CE2-CE1 4Å; Y321-Y354 HydrophobicContact CE2-CE1 4Å; Y321-Y354 HydrophobicContact CE2-CG 4.1Å; N322-Y354 WeakPolarHBondContact O-CA 3.43Å; P323-Y354 HydrophobicContact CB-CD1 3.89Å; P323-Y354 HydrophobicContact CB-CE1 3.83Å; E352-Y354 VanDerWaalsContact CD-OH 3.27Å; E352-Y354 HydrophobicContact CG-CE1 4.16Å; E352-Y354 PolarHBondContact OE2-OH 3.13Å
355	V	97.1	Very high	96.1	Very high	27 Å²	27	86.5 Å²	86.5	16%	0.164	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.3	174.2	-77.3	0	0	0	0	110.7	R300 Q301 Y321 N322 Y324	R300-V355 CarbonylContact O-C 3.47Å; R300-V355 VanDerWaalsContact O-CA 3.31Å; R300-V355 WeakPolarHBondContact O-CA 3.49Å; Q301-V355 HydrophobicContact CG-CG1 4.11Å; Y321-V355 CarbonylContact C-O 3.43Å; Y321-V355 WeakPolarHBondContact CA-O 3.13Å; Y321-V355 VanDerWaalsContact CB-O 3.27Å; Y321-V355 WeakPolarHBondContact CB-O 3.33Å; N322-V355 HydrophobicContact CB-CG2 4.29Å; N322-V355 PolarHBondContact N-O 2.94Å; N322-V355 PolarHBondContact O-N 3.06Å; Y324-V355 HydrophobicContact CD1-CG1 4.35Å; Y324-V355 HydrophobicContact CD1-CG2 4.14Å; Y324-V355 HydrophobicContact CE1-CG1 3.68Å; Y324-V355 HydrophobicContact CE1-CG2 4.31Å
356	C	97.4	Very high	96	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.3	178.8	-61.1	0	0	0	0	112.5	T297 D299 R300 C316	T297-C356 WeakPolarHBondContact O-CB 3.49Å; D299-C356 PolarHBondContact N-O 3.35Å; R300-C356 PolarHBondContact O-N 3.47Å; R300-C356 PolarHBondContact O-SG 3.36Å; C316-C356 WeakPolarHBondContact CA-SG 3.47Å; C316-C356 HydrophobicContact CB-CB 3.58Å; C316-C356 WeakPolarHBondContact CB-SG 3.48Å; C316-C356 PolarHBondContact N-SG 3.42Å; C316-C356 VanDerWaalsContact N-SG 3.43Å; C316-C356 WeakPolarHBondContact SG-CA 3.21Å; C316-C356 WeakPolarHBondContact SG-CB 3.44Å; C316-C356 CovalentContact SG-SG 2.04Å; C316-C356 PolarHBondContact SG-SG 3.24Å
357	K	95.8	Very high	95.9	Very high	114 Å²	114	72.5 Å²	72.5	50%	0.496	34%	0.337	S	S	.	.			trans	-69.1	0	174	-68.4	-179.5	-179.8	178.3	0	113.3	Q298 R319 G320 N322	Q298-K357 PolarHBondContact NE2-OXT 3.41Å; R319-K357 PolarHBondContact NE-O 3.25Å; R319-K357 PolarHBondContact NH2-O 3.45Å; R319-K357 WeakPolarHBondContact O-CD 3.39Å; G320-K357 PolarHBondContact O-N 2.76Å; G320-K357 VanDerWaalsContact O-N 3.13Å; N322-K357 WeakPolarHBondContact OD1-CE 3.29Å

Retrieved 357 of 357 residues in 2508.7 ms (Link to these results)

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