A0A096N3G4_PAPAN Loading...

Protein Wnt

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

AlphaFold DB (A0A0D9QV72), UniProt , Accession A0A096N3G4, Species PAPAN (Papio anubis, Olive baboon), Gene WNT11, Length 354 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	38.8	Very low	243 Å²	243	170.5 Å²	170.5	100%	1.197	90%	0.898	S	S	*	*				0	109.8	0	-64.9	178.7	-153.8	0	0	109.5
2	R	32.5	Very low	38.7	Very low	253 Å²	253	169.9 Å²	169.9	96%	0.955	90%	0.895	S	S	*	*			trans	174.5	88.6	150.8	-101.6	173.7	-175.3	-178.9	2.2	107.4
3	A	33.8	Very low	38.6	Very low	104 Å²	104	172.4 Å²	172.4	86%	0.86	89%	0.894	S	S	*	*			trans	-73.1	130.2	165.1	0	0	0	0	0	108.3
4	R	37.4	Very low	38.5	Very low	238 Å²	238	166.7 Å²	166.7	90%	0.898	89%	0.885	S	S	*	*			trans	-91.7	132.8	164.6	-79.6	-178	173.8	-179.8	-1.6	107.8	Q6	R4-Q6 PolarHBondContact O-N 3.16Å
5	P	38.7	Very low	38.7	Very low	121 Å²	121	167.1 Å²	167.1	79%	0.786	89%	0.886	S	S	*	*			trans	-82.8	114.1	174.1	30.9	-27.5	0	0	0	109.8	V7	P5-V7 PolarHBondContact O-N 3.13Å
6	Q	43.9	Very low	38.6	Very low	196 Å²	196	162.6 Å²	162.6	92%	0.916	88%	0.88	S	S	*	*			trans	-82.8	82.9	160	-88.5	-179.1	-33	0	0	108.5	R4	R4-Q6 PolarHBondContact O-N 3.16Å
7	V	45.3	Very low	38.4	Very low	130 Å²	130	162.1 Å²	162.1	79%	0.788	88%	0.875	S	S	*	*			trans	-148.7	84	166	-172.4	0	0	0	0	108.2	P5	P5-V7 PolarHBondContact O-N 3.13Å
8	C	39.3	Very low	38.2	Very low	130 Å²	130	163.6 Å²	163.6	88%	0.878	88%	0.876	S	S	*	*	S	Bend	trans	-167.4	33.9	163.4	-125.9	0	0	0	0	116.8
9	E	36.2	Very low	38.2	Very low	197 Å²	197	160.8 Å²	160.8	92%	0.921	87%	0.865	S	S	*	*	S	Bend	trans	-131	13.9	174.2	-76.5	-163.1	160.2	0	0	115.5
10	A	37.9	Very low	38.3	Very low	100 Å²	100	155.5 Å²	155.5	83%	0.826	85%	0.85	S	S	*	*	S	Bend	trans	-107.3	8	-179.2	0	0	0	0	0	115.3
11	L	38.9	Very low	38.9	Very low	163 Å²	163	150.9 Å²	150.9	85%	0.853	83%	0.827	S	S	*	*	S	Bend	trans	-117.5	2.2	-173.2	-87.1	160.7	0	0	0	116.1
12	L	37.9	Very low	39.4	Very low	164 Å²	164	142 Å²	142	86%	0.859	79%	0.788	S	S	*	*	S	Bend	trans	-102.6	0.4	-179.4	-83.8	164.6	0	0	0	115.6
13	F	37.2	Very low	41	Very low	202 Å²	202	130.9 Å²	130.9	89%	0.886	75%	0.746	S	S	*	*	S	Bend	trans	-113.8	22.6	-179	-91.3	-79.1	0	0	0	115.3
14	A	38.3	Very low	43.1	Very low	93 Å²	93	126 Å²	126	77%	0.769	71%	0.706	S	S	*	*	S	Bend	trans	-107.4	13.5	177.2	0	0	0	0	0	115
15	L	41	Very low	45.8	Very low	173 Å²	173	114.8 Å²	114.8	91%	0.906	66%	0.664	S	S	*	*	S	Bend	trans	-121.2	11.9	-174.8	-96.1	157.4	0	0	0	116.2
16	A	37.4	Very low	48.4	Very low	94 Å²	94	111.4 Å²	111.4	78%	0.777	64%	0.637	S	S	*	*			trans	-124.4	29.4	-177.2	0	0	0	0	0	115.2
17	L	34.8	Very low	50.9	Low	154 Å²	154	102.1 Å²	102.1	81%	0.806	59%	0.593	S	S	*	*			trans	-121.9	39	171.2	-87.9	153.1	0	0	0	112.2	T19	L17-T19 HydrophobicContact CD2-CG2 4.15Å; L17-T19 PolarHBondContact O-N 3.26Å; L17-T19 VanDerWaalsContact O-N 3.13Å
18	Q	33.8	Very low	53.3	Low	190 Å²	190	96 Å²	96	89%	0.888	56%	0.556	S	S	*	*			trans	-75.5	90.1	145.5	-78.3	-175.4	-6.3	0	0	106.5	G20	Q18-G20 PolarHBondContact O-N 3.25Å
19	T	38.2	Very low	56	Low	110 Å²	110	90 Å²	90	68%	0.675	52%	0.516	S	S	*	.			trans	-59.7	83.6	161.7	44.1	0	0	0	0	106.9	L17 V21	L17-T19 HydrophobicContact CD2-CG2 4.15Å; L17-T19 PolarHBondContact O-N 3.26Å; L17-T19 VanDerWaalsContact O-N 3.13Å; T19-V21 PolarHBondContact O-N 3.01Å
20	G	41.2	Very low	58.9	Low	54 Å²	54	80.6 Å²	80.6	56%	0.557	47%	0.472	S	S	*	.			trans	-66.6	84.6	-175.7	0	0	0	0	0	109.5	Q18 C22	Q18-G20 PolarHBondContact O-N 3.25Å; G20-C22 PolarHBondContact O-N 3.29Å
21	V	50	Low	61.6	Low	59 Å²	59	76.9 Å²	76.9	36%	0.358	44%	0.44	S	S	.	.			trans	-62	110.3	166.3	-173.2	0	0	0	0	105.6	T19 Y23	T19-V21 PolarHBondContact O-N 3.01Å; V21-Y23 HydrophobicContact CB-CE1 4.09Å; V21-Y23 HydrophobicContact CB-CE2 3.8Å; V21-Y23 VanDerWaalsContact CB-CZ 3.48Å; V21-Y23 WeakPolarHBondContact CB-OH 2.99Å; V21-Y23 HydrophobicContact CG1-CD1 4.11Å; V21-Y23 HydrophobicContact CG1-CE1 3.35Å; V21-Y23 HydrophobicContact CG1-CE2 4.01Å; V21-Y23 WeakPolarHBondContact CG1-OH 3.43Å; V21-Y23 WeakPolarHBondContact O-CD2 3.43Å; V21-Y23 PolarHBondContact O-N 2.94Å
22	C	52.8	Low	64.2	Low	57 Å²	57	74.7 Å²	74.7	39%	0.385	42%	0.423	S	S	.	.			trans	-74.8	97	-176.7	-166.4	0	0	0	0	108.2	G20 P175 R190	G20-C22 PolarHBondContact O-N 3.29Å; C22-P175 VanDerWaalsContact SG-CB 3.54Å; C22-P175 PolarHBondContact SG-O 2.93Å; C22-R190 PolarHBondContact O-NH1 2.91Å
23	Y	67.7	Low	66.8	Low	19 Å²	19	67.7 Å²	67.7	8%	0.075	39%	0.388	C	S	.	.			trans	-86.7	117.9	173	-54	-70.3	0	0	0	109.4	V21 I25 K26 E105 R190	V21-Y23 HydrophobicContact CB-CE1 4.09Å; V21-Y23 HydrophobicContact CB-CE2 3.8Å; V21-Y23 VanDerWaalsContact CB-CZ 3.48Å; V21-Y23 WeakPolarHBondContact CB-OH 2.99Å; V21-Y23 HydrophobicContact CG1-CD1 4.11Å; V21-Y23 HydrophobicContact CG1-CE1 3.35Å; V21-Y23 HydrophobicContact CG1-CE2 4.01Å; V21-Y23 WeakPolarHBondContact CG1-OH 3.43Å; V21-Y23 WeakPolarHBondContact O-CD2 3.43Å; V21-Y23 PolarHBondContact O-N 2.94Å; Y23-I25 PolarHBondContact O-N 2.59Å; Y23-I25 VanDerWaalsContact O-N 3.16Å; Y23-K26 VanDerWaalsContact CD2-CE 3.42Å; Y23-K26 WeakPolarHBondContact O-CG 3.47Å; Y23-K26 PolarHBondContact O-N 3.46Å; Y23-E105 HydrophobicContact CD1-CG 4.46Å; Y23-E105 HydrophobicContact CE1-CB 3.65Å; Y23-E105 HydrophobicContact CE1-CG 3.7Å; Y23-E105 HydrophobicContact CE2-CG 3.86Å; Y23-E105 WeakPolarHBondContact CE2-OE1 3.2Å; Y23-E105 VanDerWaalsContact CZ-CD 3.45Å; Y23-E105 WeakPolarHBondContact OH-CB 3.41Å; Y23-E105 VanDerWaalsContact OH-CG 3.28Å; Y23-E105 WeakPolarHBondContact OH-CG 3.36Å; Y23-E105 PolarHBondContact OH-OE1 3.21Å; Y23-E105 PolarHBondContact OH-OE2 3.09Å; Y23-R190 VanDerWaalsContact CE1-NH2 3.31Å
24	G	76.5	Confident	69.2	Low	2 Å²	2	62.3 Å²	62.3	2%	0.021	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.3	179.5	0	0	0	0	0	116.1	W27 Y115	G24-W27 VanDerWaalsContact O-CD1 3.26Å; G24-Y115 PolarHBondContact N-OH 2.89Å
25	I	93.5	Very high	71	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.015	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	11.2	-178.7	53.5	167.7	0	0	0	113.8	Y23 W27 L28 Y100 V114 Y115	Y23-I25 PolarHBondContact O-N 2.59Å; Y23-I25 VanDerWaalsContact O-N 3.16Å; I25-W27 PolarHBondContact O-N 2.04Å; I25-W27 VanDerWaalsContact O-N 3.16Å; I25-L28 HydrophobicContact CB-CD1 4.18Å; I25-L28 HydrophobicContact CB-CG 4.42Å; I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 WeakPolarHBondContact O-CG 3.08Å; I25-L28 PolarHBondContact O-N 3.29Å; I25-L28 VanDerWaalsContact O-N 3.13Å; I25-Y100 HydrophobicContact CD1-CE2 4.03Å; I25-Y100 HydrophobicContact CG1-CD2 4.42Å; I25-Y100 HydrophobicContact CG1-CE2 3.7Å; I25-Y100 PolarHBondContact O-OH 3.31Å; I25-V114 HydrophobicContact CD1-CB 4.27Å; I25-V114 HydrophobicContact CD1-CG1 3.55Å; I25-V114 HydrophobicContact CG2-CG1 4.5Å; I25-Y115 HydrophobicContact CB-CE1 4.44Å; I25-Y115 HydrophobicContact CD1-CD2 4.4Å; I25-Y115 HydrophobicContact CD1-CE2 3.98Å; I25-Y115 HydrophobicContact CG1-CE1 4.37Å; I25-Y115 HydrophobicContact CG1-CE2 3.97Å; I25-Y115 HydrophobicContact CG2-CD1 3.68Å; I25-Y115 HydrophobicContact CG2-CD2 4.32Å; I25-Y115 HydrophobicContact CG2-CE1 3.65Å; I25-Y115 HydrophobicContact CG2-CE2 4.28Å; I25-Y115 HydrophobicContact CG2-CG 4Å
26	K	94.2	Very high	72.5	Confident	50 Å²	50	58.7 Å²	58.7	22%	0.217	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-58.9	-27.7	177.9	-73.9	-171.9	177.4	-170.5	0	113.7	Y23 L28 A29 G50 P98 Y100	Y23-K26 VanDerWaalsContact CD2-CE 3.42Å; Y23-K26 WeakPolarHBondContact O-CG 3.47Å; Y23-K26 PolarHBondContact O-N 3.46Å; K26-L28 PolarHBondContact O-N 3.32Å; K26-L28 VanDerWaalsContact O-N 3.07Å; K26-A29 WeakPolarHBondContact O-CB 3.48Å; K26-A29 PolarHBondContact O-N 3.4Å; K26-G50 CarbonylContact C-O 3.21Å; K26-G50 WeakPolarHBondContact CB-O 3.03Å; K26-P98 HydrophobicContact CB-CB 3.94Å; K26-P98 HydrophobicContact CD-CB 4.21Å; K26-P98 HydrophobicContact CG-CB 4.04Å; K26-Y100 HydrophobicContact CG-CE2 4.4Å
27	W	95.5	Very high	74.3	Confident	1 Å²	1	57 Å²	57	0%	0.004	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-60.8	-15.3	177.8	72.9	-92.8	0	0	0	113.6	G24 I25 A29 L30 G50 L51 V69 A72 A73 V76 I122 F171	G24-W27 VanDerWaalsContact O-CD1 3.26Å; I25-W27 PolarHBondContact O-N 2.04Å; I25-W27 VanDerWaalsContact O-N 3.16Å; W27-A29 PolarHBondContact O-N 2.77Å; W27-A29 VanDerWaalsContact O-N 3.09Å; W27-L30 HydrophobicContact CE3-CD1 4.34Å; W27-L30 WeakPolarHBondContact O-CB 3.46Å; W27-L30 WeakPolarHBondContact O-CG 3.48Å; W27-L30 PolarHBondContact O-N 2.76Å; W27-G50 PolarHBondContact N-O 3.04Å; W27-L51 HydrophobicContact CB-CD2 3.84Å; W27-V69 HydrophobicContact CE3-CG1 3.98Å; W27-V69 HydrophobicContact CZ3-CG1 4.07Å; W27-A72 HydrophobicContact CH2-CB 4.32Å; W27-A72 HydrophobicContact CZ3-CB 4.43Å; W27-A73 HydrophobicContact CE3-CB 4.02Å; W27-A73 HydrophobicContact CZ3-CB 3.62Å; W27-V76 HydrophobicContact CH2-CG2 4.49Å; W27-I122 HydrophobicContact CH2-CB 4.08Å; W27-I122 HydrophobicContact CH2-CD1 4.31Å; W27-I122 HydrophobicContact CZ2-CB 4.29Å; W27-I122 HydrophobicContact CZ2-CD1 4.43Å; W27-F171 HydrophobicContact CB-CE1 3.84Å; W27-F171 HydrophobicContact CB-CZ 4.28Å; W27-F171 AromaticContact CD2-CE1 3.91Å; W27-F171 HydrophobicContact CD2-CE1 3.91Å; W27-F171 HydrophobicContact CE3-CE1 4.15Å; W27-F171 AromaticContact CG-CE1 3.77Å; W27-F171 HydrophobicContact CG-CE1 3.77Å
28	L	97.1	Very high	76.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-60.9	-16.7	172.2	-62.9	-178.9	0	0	0	112.9	I25 K26 L30 S31 A73 V76 M77 A97 V114	I25-L28 HydrophobicContact CB-CD1 4.18Å; I25-L28 HydrophobicContact CB-CG 4.42Å; I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 WeakPolarHBondContact O-CG 3.08Å; I25-L28 PolarHBondContact O-N 3.29Å; I25-L28 VanDerWaalsContact O-N 3.13Å; K26-L28 PolarHBondContact O-N 3.32Å; K26-L28 VanDerWaalsContact O-N 3.07Å; L28-L30 PolarHBondContact O-N 3.24Å; L28-L30 VanDerWaalsContact O-N 3.16Å; L28-S31 VanDerWaalsContact O-CB 3.32Å; L28-S31 WeakPolarHBondContact O-CB 3.13Å; L28-S31 PolarHBondContact O-N 2.04Å; L28-S31 PolarHBondContact O-OG 3.43Å; L28-A73 HydrophobicContact CD2-CB 4.49Å; L28-V76 HydrophobicContact CD1-CG1 4.01Å; L28-V76 HydrophobicContact CD2-CB 3.87Å; L28-V76 HydrophobicContact CD2-CG1 3.74Å; L28-V76 HydrophobicContact CD2-CG2 4.07Å; L28-M77 HydrophobicContact CB-CE 3.7Å; L28-M77 VanDerWaalsContact O-CE 3.27Å; L28-M77 WeakPolarHBondContact O-CE 3.42Å; L28-A97 HydrophobicContact CB-CB 4.18Å; L28-V114 HydrophobicContact CD1-CG1 3.95Å
29	A	96.4	Very high	78.7	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.033	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.1	-25.9	169.3	0	0	0	0	0	112.8	K26 W27 S31 K32 E49 A97 P98	K26-A29 WeakPolarHBondContact O-CB 3.48Å; K26-A29 PolarHBondContact O-N 3.4Å; W27-A29 PolarHBondContact O-N 2.77Å; W27-A29 VanDerWaalsContact O-N 3.09Å; A29-S31 PolarHBondContact O-N 3.48Å; A29-S31 VanDerWaalsContact O-N 3.08Å; A29-K32 WeakPolarHBondContact O-CB 3.05Å; A29-K32 PolarHBondContact O-N 2.91Å; A29-E49 HydrophobicContact CB-CB 4.39Å; A29-A97 HydrophobicContact CB-CB 4.05Å; A29-P98 HydrophobicContact CB-CB 4.23Å; A29-P98 HydrophobicContact CB-CG 4.44Å
30	L	95.8	Very high	81	Confident	0 Å²	0	43 Å²	43	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-57.8	-20.4	173.3	-67.2	-178.8	0	0	0	113.6	W27 L28 K32 T33 L48 L51 M66 V69 V70 A73 F171	W27-L30 HydrophobicContact CE3-CD1 4.34Å; W27-L30 WeakPolarHBondContact O-CB 3.46Å; W27-L30 WeakPolarHBondContact O-CG 3.48Å; W27-L30 PolarHBondContact O-N 2.76Å; L28-L30 PolarHBondContact O-N 3.24Å; L28-L30 VanDerWaalsContact O-N 3.16Å; L30-K32 PolarHBondContact O-N 2.88Å; L30-K32 VanDerWaalsContact O-N 3.16Å; L30-T33 VanDerWaalsContact O-CB 3.23Å; L30-T33 WeakPolarHBondContact O-CB 3.32Å; L30-T33 PolarHBondContact O-N 3.41Å; L30-T33 PolarHBondContact O-OG1 2.02Å; L30-T33 VanDerWaalsContact O-OG1 3.08Å; L30-L48 HydrophobicContact CD2-CB 3.81Å; L30-L48 HydrophobicContact CD2-CD1 3.92Å; L30-L48 HydrophobicContact CD2-CD2 3.76Å; L30-L48 HydrophobicContact CD2-CG 4.03Å; L30-L51 HydrophobicContact CD1-CD2 4.08Å; L30-L51 HydrophobicContact CG-CD2 4.4Å; L30-M66 HydrophobicContact CD1-CE 3.95Å; L30-V69 HydrophobicContact CD1-CG1 3.66Å; L30-V70 HydrophobicContact CB-CG2 4.19Å; L30-V70 HydrophobicContact CD1-CG2 4.46Å; L30-A73 HydrophobicContact CB-CB 4.03Å; L30-F171 HydrophobicContact CD1-CZ 4.45Å
31	S	95.9	Very high	83.3	Confident	22 Å²	22	44.6 Å²	44.6	15%	0.154	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.9	173.4	59.2	0	0	0	0	112.8	L28 A29 R74 M77	L28-S31 VanDerWaalsContact O-CB 3.32Å; L28-S31 WeakPolarHBondContact O-CB 3.13Å; L28-S31 PolarHBondContact O-N 2.04Å; L28-S31 PolarHBondContact O-OG 3.43Å; A29-S31 PolarHBondContact O-N 3.48Å; A29-S31 VanDerWaalsContact O-N 3.08Å; S31-R74 PolarHBondContact O-NE 2.87Å; S31-M77 WeakPolarHBondContact OG-CE 3.36Å
32	K	93.8	Very high	85.3	Confident	117 Å²	117	45.2 Å²	45.2	51%	0.509	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-83.9	-7.7	178.4	-57.9	172.9	-178.5	171.4	0	113.4	A29 L30 E95 A97	A29-K32 WeakPolarHBondContact O-CB 3.05Å; A29-K32 PolarHBondContact O-N 2.91Å; L30-K32 PolarHBondContact O-N 2.88Å; L30-K32 VanDerWaalsContact O-N 3.16Å; K32-E95 WeakPolarHBondContact CE-O 3.13Å; K32-E95 PolarHBondContact NZ-O 3.44Å; K32-A97 PolarHBondContact NZ-O 2.94Å
33	T	91.3	Very high	87	Confident	18 Å²	18	47.9 Å²	47.9	11%	0.11	29%	0.285	C	S	.	.	S	Bend	trans	-60.5	128.3	177	-59.3	0	0	0	0	109.2	L30 L37 L48 R74	L30-T33 VanDerWaalsContact O-CB 3.23Å; L30-T33 WeakPolarHBondContact O-CB 3.32Å; L30-T33 PolarHBondContact O-N 3.41Å; L30-T33 PolarHBondContact O-OG1 2.02Å; L30-T33 VanDerWaalsContact O-OG1 3.08Å; T33-L37 HydrophobicContact CG2-CB 4.19Å; T33-L37 HydrophobicContact CG2-CD2 3.65Å; T33-L48 HydrophobicContact CG2-CD2 4.26Å; T33-R74 PolarHBondContact O-NH2 2.68Å
34	P	87.2	Confident	88.1	Confident	88 Å²	88	48.4 Å²	48.4	57%	0.571	29%	0.288	S	S	*	.			trans	-60.1	142	178.6	-24.6	34.1	0	0	0	111.8	A36 L37	P34-A36 PolarHBondContact O-N 3.2Å; P34-L37 PolarHBondContact O-N 2.92Å; P34-L37 VanDerWaalsContact O-N 3.15Å
35	A	76.8	Confident	88.8	Confident	92 Å²	92	48.3 Å²	48.3	76%	0.76	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.4	176.1	0	0	0	0	0	112.9	L37	A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 2.79Å
36	A	72.2	Confident	88.6	Confident	99 Å²	99	55.3 Å²	55.3	82%	0.818	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-10.3	178.4	0	0	0	0	0	114.3	P34 A38	P34-A36 PolarHBondContact O-N 3.2Å; A36-A38 PolarHBondContact O-N 2.94Å; A36-A38 VanDerWaalsContact O-N 3.13Å
37	L	76.8	Confident	88.3	Confident	58 Å²	58	59.2 Å²	59.2	30%	0.304	34%	0.336	S	S	.	.			trans	-74.2	106.6	179.4	-173.7	69.7	0	0	0	110	T33 P34 A35 L39 L48	T33-L37 HydrophobicContact CG2-CB 4.19Å; T33-L37 HydrophobicContact CG2-CD2 3.65Å; P34-L37 PolarHBondContact O-N 2.92Å; P34-L37 VanDerWaalsContact O-N 3.15Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 2.79Å; L37-L39 HydrophobicContact CD2-CD2 3.95Å; L37-L39 HydrophobicContact CG-CD2 4.3Å; L37-L39 PolarHBondContact O-N 3.01Å; L37-L48 HydrophobicContact CD2-CD2 4.35Å
38	A	77	Confident	88.1	Confident	51 Å²	51	59.7 Å²	59.7	42%	0.421	34%	0.338	S	S	.	.			trans	-72.4	116.2	171	0	0	0	0	0	110.2	A36 N40 H44	A36-A38 PolarHBondContact O-N 2.94Å; A36-A38 VanDerWaalsContact O-N 3.13Å; A38-N40 PolarHBondContact O-N 3.21Å; A38-N40 VanDerWaalsContact O-N 3.09Å; A38-N40 PolarHBondContact O-OD1 3.13Å; A38-H44 PolarHBondContact O-CE1 3.45Å; A38-H44 VanDerWaalsContact O-CE1 3.28Å; A38-H44 PolarHBondContact O-ND1 2.92Å
39	L	83.9	Confident	87.8	Confident	6 Å²	6	66 Å²	66	3%	0.031	37%	0.368	C	S	.	.			trans	-87.5	52	176.7	-66.4	174.7	0	0	0	111.1	L37 H44 L48 M66 V70	L37-L39 HydrophobicContact CD2-CD2 3.95Å; L37-L39 HydrophobicContact CG-CD2 4.3Å; L37-L39 PolarHBondContact O-N 3.01Å; L39-H44 HydrophobicContact CD2-CB 3.88Å; L39-L48 HydrophobicContact CD2-CD1 4.25Å; L39-L48 HydrophobicContact CD2-CD2 4.17Å; L39-L48 HydrophobicContact CD2-CG 4.46Å; L39-M66 HydrophobicContact CD1-CB 3.59Å; L39-V70 HydrophobicContact CD1-CG2 4.28Å
40	N	85.6	Confident	87.5	Confident	104 Å²	104	66.6 Å²	66.6	56%	0.556	38%	0.375	S	S	*	.			trans	-91.1	-10.1	-174.5	61.4	-3.6	0	0	0	114.4	A38 H44	A38-N40 PolarHBondContact O-N 3.21Å; A38-N40 VanDerWaalsContact O-N 3.09Å; A38-N40 PolarHBondContact O-OD1 3.13Å; N40-H44 PolarHBondContact OD1-CE1 3.07Å
41	Q	90.1	Very high	87.4	Confident	87 Å²	87	67.8 Å²	67.8	41%	0.407	38%	0.381	S	S	.	.	S	Bend	trans	-128.6	140.6	-177.7	-65.2	172.1	-4.5	0	0	111.7	Q43 H44	Q41-Q43 HydrophobicContact CB-CG 3.92Å; Q41-Q43 PolarHBondContact O-N 2.63Å; Q41-H44 WeakPolarHBondContact O-CB 3.26Å; Q41-H44 PolarHBondContact O-N 3.23Å
42	T	90.9	Very high	87.1	Confident	72 Å²	72	68.1 Å²	68.1	44%	0.442	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	-177.9	59.5	0	0	0	0	114.2	C45 R60 L63	T42-C45 WeakPolarHBondContact O-CB 3.15Å; T42-R60 HydrophobicContact CG2-CB 4.36Å; T42-R60 PolarHBondContact O-NE 3.19Å; T42-L63 HydrophobicContact CG2-CD1 4.05Å
43	Q	89.4	Confident	87	Confident	113 Å²	113	66.9 Å²	66.9	53%	0.528	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-30.7	174.3	60.8	-161.5	9.7	0	0	113.2	Q41 C45 K46	Q41-Q43 HydrophobicContact CB-CG 3.92Å; Q41-Q43 PolarHBondContact O-N 2.63Å; Q43-C45 PolarHBondContact O-N 3.41Å; Q43-K46 PolarHBondContact O-N 2.75Å; Q43-K46 VanDerWaalsContact O-N 3.16Å
44	H	90.6	Very high	87	Confident	30 Å²	30	67.4 Å²	67.4	14%	0.139	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-31.3	177	-59.4	165.2	0	0	0	111.6	A38 L39 N40 Q41 K46 Q47 L48	A38-H44 PolarHBondContact O-CE1 3.45Å; A38-H44 VanDerWaalsContact O-CE1 3.28Å; A38-H44 PolarHBondContact O-ND1 2.92Å; L39-H44 HydrophobicContact CD2-CB 3.88Å; N40-H44 PolarHBondContact OD1-CE1 3.07Å; Q41-H44 WeakPolarHBondContact O-CB 3.26Å; Q41-H44 PolarHBondContact O-N 3.23Å; H44-K46 PolarHBondContact O-N 3.04Å; H44-K46 VanDerWaalsContact O-N 3.1Å; H44-Q47 WeakPolarHBondContact O-CB 3.26Å; H44-Q47 PolarHBondContact O-N 2.98Å; H44-L48 PolarHBondContact O-N 3.29Å
45	C	91.9	Very high	87.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-56.3	-28.4	176.4	-66.3	0	0	0	0	114.7	T42 Q43 V56 C59 R60 L63	T42-C45 WeakPolarHBondContact O-CB 3.15Å; Q43-C45 PolarHBondContact O-N 3.41Å; C45-V56 HydrophobicContact CB-CG1 4.16Å; C45-C59 WeakPolarHBondContact CA-SG 3.43Å; C45-C59 HydrophobicContact CB-CB 3.7Å; C45-C59 WeakPolarHBondContact CB-SG 3.44Å; C45-C59 WeakPolarHBondContact SG-CB 3.06Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 3.22Å; C45-R60 HydrophobicContact CB-CG 3.89Å; C45-R60 PolarHBondContact SG-N 3.37Å; C45-R60 VanDerWaalsContact SG-N 3.4Å; C45-L63 VanDerWaalsContact SG-CD2 3.59Å
46	K	88.8	Confident	88.2	Confident	149 Å²	149	60 Å²	60	65%	0.648	34%	0.338	S	S	*	.	H	α-helix	trans	-79.6	-23.6	177.2	-79.8	-178.7	162.1	178.3	0	112.8	Q43 H44 L48 V56	Q43-K46 PolarHBondContact O-N 2.75Å; Q43-K46 VanDerWaalsContact O-N 3.16Å; H44-K46 PolarHBondContact O-N 3.04Å; H44-K46 VanDerWaalsContact O-N 3.1Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-V56 HydrophobicContact CG-CG1 4.15Å
47	Q	88	Confident	89.2	Confident	132 Å²	132	61.2 Å²	61.2	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-83.5	-15.1	-179.9	-62.1	170.6	-15.4	0	0	111.9	H44 E49	H44-Q47 WeakPolarHBondContact O-CB 3.26Å; H44-Q47 PolarHBondContact O-N 2.98Å; Q47-E49 PolarHBondContact O-N 3.37Å
48	L	90.9	Very high	90.1	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.058	32%	0.317	C	S	.	.	S	Bend	trans	-69.9	112.1	177.2	-68.3	-178	0	0	0	111.1	L30 T33 L37 L39 H44 K46 L51 M66	L30-L48 HydrophobicContact CD2-CB 3.81Å; L30-L48 HydrophobicContact CD2-CD1 3.92Å; L30-L48 HydrophobicContact CD2-CD2 3.76Å; L30-L48 HydrophobicContact CD2-CG 4.03Å; T33-L48 HydrophobicContact CG2-CD2 4.26Å; L37-L48 HydrophobicContact CD2-CD2 4.35Å; L39-L48 HydrophobicContact CD2-CD1 4.25Å; L39-L48 HydrophobicContact CD2-CD2 4.17Å; L39-L48 HydrophobicContact CD2-CG 4.46Å; H44-L48 PolarHBondContact O-N 3.29Å; K46-L48 VanDerWaalsContact C-N 3.33Å; L48-L51 HydrophobicContact CB-CD1 3.74Å; L48-L51 HydrophobicContact CB-CG 4.05Å; L48-L51 HydrophobicContact CD1-CD1 3.88Å; L48-L51 HydrophobicContact CG-CD1 4.47Å; L48-M66 HydrophobicContact CD1-CE 3.71Å
49	E	90.9	Very high	90.9	Very high	132 Å²	132	57 Å²	57	62%	0.617	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	147.2	177.7	-66.1	-167	166.1	0	0	112.5	A29 Q47 L51	A29-E49 HydrophobicContact CB-CB 4.39Å; Q47-E49 PolarHBondContact O-N 3.37Å; E49-L51 VanDerWaalsContact C-N 3.27Å; E49-L51 PolarHBondContact O-N 2.74Å
50	G	90.6	Very high	91.5	Very high	17 Å²	17	61.4 Å²	61.4	18%	0.175	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-4.3	174.9	0	0	0	0	0	115.6	K26 W27	K26-G50 CarbonylContact C-O 3.21Å; K26-G50 WeakPolarHBondContact CB-O 3.03Å; W27-G50 PolarHBondContact N-O 3.04Å
51	L	92.9	Very high	91.9	Very high	25 Å²	25	60.4 Å²	60.4	13%	0.131	31%	0.314	C	S	.	.			trans	-80.8	135.5	174.3	-60.3	-166.9	0	0	0	112.2	W27 L30 L48 E49 Q55 V56 M66 F171	W27-L51 HydrophobicContact CB-CD2 3.84Å; L30-L51 HydrophobicContact CD1-CD2 4.08Å; L30-L51 HydrophobicContact CG-CD2 4.4Å; L48-L51 HydrophobicContact CB-CD1 3.74Å; L48-L51 HydrophobicContact CB-CG 4.05Å; L48-L51 HydrophobicContact CD1-CD1 3.88Å; L48-L51 HydrophobicContact CG-CD1 4.47Å; E49-L51 VanDerWaalsContact C-N 3.27Å; E49-L51 PolarHBondContact O-N 2.74Å; L51-Q55 HydrophobicContact CB-CB 4.18Å; L51-Q55 HydrophobicContact CD2-CB 4.15Å; L51-V56 HydrophobicContact CB-CG2 3.77Å; L51-V56 HydrophobicContact CD1-CG2 4.46Å; L51-M66 HydrophobicContact CD1-CE 4.23Å; L51-F171 HydrophobicContact CD2-CE2 4.44Å; L51-F171 HydrophobicContact CD2-CZ 3.69Å
52	V	90.4	Very high	92.1	Very high	30 Å²	30	58.4 Å²	58.4	18%	0.182	31%	0.306	C	S	.	.			trans	-84.1	162.5	168	-55.5	0	0	0	0	111	A54 Q55 V56 P175	V52-A54 VanDerWaalsContact C-N 3.26Å; V52-A54 HydrophobicContact CG2-CB 4.32Å; V52-A54 PolarHBondContact O-N 3.31Å; V52-A54 VanDerWaalsContact O-N 3.11Å; V52-Q55 HydrophobicContact CG2-CB 4.18Å; V52-Q55 HydrophobicContact CG2-CG 3.85Å; V52-Q55 VanDerWaalsContact N-OE1 3.12Å; V52-Q55 WeakPolarHBondContact O-CA 3.34Å; V52-Q55 WeakPolarHBondContact O-CB 2.96Å; V52-Q55 PolarHBondContact O-N 3.04Å; V52-V56 PolarHBondContact O-N 2.95Å; V52-P175 HydrophobicContact CG1-CB 4.07Å; V52-P175 HydrophobicContact CG1-CG 4.17Å; V52-P175 HydrophobicContact CG2-CB 4.1Å; V52-P175 HydrophobicContact CG2-CG 3.78Å
53	S	91.1	Very high	92.2	Very high	91 Å²	91	56.8 Å²	56.8	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-48.6	-43.5	-179.4	179.5	0	0	0	0	114	Q55 V56 Q57	S53-Q55 PolarHBondContact O-N 3.24Å; S53-V56 PolarHBondContact O-N 2.78Å; S53-Q57 WeakPolarHBondContact O-CG 2.97Å; S53-Q57 PolarHBondContact O-N 3.48Å
54	A	91.4	Very high	92.3	Very high	29 Å²	29	57.2 Å²	57.2	24%	0.24	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-37.5	176.8	0	0	0	0	0	113	V52 Q57 L58 A174	V52-A54 VanDerWaalsContact C-N 3.26Å; V52-A54 HydrophobicContact CG2-CB 4.32Å; V52-A54 PolarHBondContact O-N 3.31Å; V52-A54 VanDerWaalsContact O-N 3.11Å; A54-Q57 PolarHBondContact O-N 2.86Å; A54-L58 WeakPolarHBondContact O-CG 3.15Å; A54-L58 PolarHBondContact O-N 2.82Å; A54-L58 VanDerWaalsContact O-N 3.12Å; A54-A174 HydrophobicContact CB-CB 3.96Å
55	Q	94.5	Very high	92.4	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-71.5	-36.4	175	-70.2	171.8	-38.9	0	0	111.7	L51 V52 S53 Q57 L58 C59 F171 A174	L51-Q55 HydrophobicContact CB-CB 4.18Å; L51-Q55 HydrophobicContact CD2-CB 4.15Å; V52-Q55 HydrophobicContact CG2-CB 4.18Å; V52-Q55 HydrophobicContact CG2-CG 3.85Å; V52-Q55 VanDerWaalsContact N-OE1 3.12Å; V52-Q55 WeakPolarHBondContact O-CA 3.34Å; V52-Q55 WeakPolarHBondContact O-CB 2.96Å; V52-Q55 PolarHBondContact O-N 3.04Å; S53-Q55 PolarHBondContact O-N 3.24Å; Q55-Q57 VanDerWaalsContact C-N 3.31Å; Q55-Q57 PolarHBondContact O-N 2.83Å; Q55-L58 WeakPolarHBondContact O-CB 3.3Å; Q55-L58 PolarHBondContact O-N 2.85Å; Q55-C59 WeakPolarHBondContact O-CB 3.3Å; Q55-C59 PolarHBondContact O-N 3.44Å; Q55-F171 HydrophobicContact CB-CD2 4.46Å; Q55-F171 HydrophobicContact CB-CE2 3.96Å; Q55-F171 HydrophobicContact CB-CZ 4.24Å; Q55-F171 HydrophobicContact CG-CD2 4.31Å; Q55-F171 HydrophobicContact CG-CE1 4.5Å; Q55-F171 HydrophobicContact CG-CE2 4.13Å; Q55-F171 HydrophobicContact CG-CZ 4.23Å; Q55-F171 PolarHBondContact NE2-O 3.3Å; Q55-A174 HydrophobicContact CG-CB 3.99Å
56	V	94.7	Very high	92.5	Very high	22 Å²	22	56.2 Å²	56.2	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-40	173.3	175.4	0	0	0	0	110.9	C45 K46 L51 V52 S53 C59 R60	C45-V56 HydrophobicContact CB-CG1 4.16Å; K46-V56 HydrophobicContact CG-CG1 4.15Å; L51-V56 HydrophobicContact CB-CG2 3.77Å; L51-V56 HydrophobicContact CD1-CG2 4.46Å; V52-V56 PolarHBondContact O-N 2.95Å; S53-V56 PolarHBondContact O-N 2.78Å; V56-C59 WeakPolarHBondContact O-CB 3.33Å; V56-C59 PolarHBondContact O-N 3.04Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.1Å; V56-R60 PolarHBondContact O-N 3.47Å
57	Q	93.8	Very high	92.8	Very high	124 Å²	124	53.9 Å²	53.9	58%	0.579	28%	0.284	S	S	*	.	H	α-helix	trans	-64.4	-40.2	174.1	-72.1	173.2	-24.3	0	0	112.3	S53 A54 Q55 R60 S61	S53-Q57 WeakPolarHBondContact O-CG 2.97Å; S53-Q57 PolarHBondContact O-N 3.48Å; A54-Q57 PolarHBondContact O-N 2.86Å; Q55-Q57 VanDerWaalsContact C-N 3.31Å; Q55-Q57 PolarHBondContact O-N 2.83Å; Q57-R60 PolarHBondContact O-N 2.85Å; Q57-S61 PolarHBondContact O-N 3.3Å; Q57-S61 VanDerWaalsContact O-N 3.16Å; Q57-S61 PolarHBondContact O-OG 3.27Å
58	L	94.1	Very high	93.2	Very high	22 Å²	22	48.2 Å²	48.2	12%	0.115	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-43.9	173.8	-69.5	170.9	0	0	0	111.8	A54 Q55 R60 S61 N62 K170 F171 A174	A54-L58 WeakPolarHBondContact O-CG 3.15Å; A54-L58 PolarHBondContact O-N 2.82Å; A54-L58 VanDerWaalsContact O-N 3.12Å; Q55-L58 WeakPolarHBondContact O-CB 3.3Å; Q55-L58 PolarHBondContact O-N 2.85Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 2.99Å; L58-S61 WeakPolarHBondContact CA-OG 3.19Å; L58-S61 PolarHBondContact O-N 2.96Å; L58-S61 PolarHBondContact O-OG 3.35Å; L58-S61 VanDerWaalsContact O-OG 3.04Å; L58-N62 WeakPolarHBondContact O-CB 3.32Å; L58-N62 PolarHBondContact O-N 2.81Å; L58-N62 PolarHBondContact O-ND2 3.32Å; L58-N62 VanDerWaalsContact O-ND2 3.07Å; L58-K170 HydrophobicContact CD1-CG 4.14Å; L58-K170 VanDerWaalsContact CD1-O 3.29Å; L58-K170 WeakPolarHBondContact CD1-O 3.45Å; L58-K170 HydrophobicContact CD2-CD 3.67Å; L58-K170 VanDerWaalsContact CD2-CE 3.45Å; L58-K170 HydrophobicContact CD2-CG 3.84Å; L58-F171 HydrophobicContact CB-CD2 4.44Å; L58-F171 HydrophobicContact CD1-CB 4.38Å; L58-F171 HydrophobicContact CD1-CD2 4.32Å; L58-A174 HydrophobicContact CD1-CB 4.39Å
59	C	95.3	Very high	93.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.4	-48.7	175.3	175.4	0	0	0	0	111.2	C45 Q55 V56 S61 N62 L63 M66	C45-C59 WeakPolarHBondContact CA-SG 3.43Å; C45-C59 HydrophobicContact CB-CB 3.7Å; C45-C59 WeakPolarHBondContact CB-SG 3.44Å; C45-C59 WeakPolarHBondContact SG-CB 3.06Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 3.22Å; Q55-C59 WeakPolarHBondContact O-CB 3.3Å; Q55-C59 PolarHBondContact O-N 3.44Å; V56-C59 WeakPolarHBondContact O-CB 3.33Å; V56-C59 PolarHBondContact O-N 3.04Å; C59-S61 VanDerWaalsContact C-N 3.27Å; C59-S61 PolarHBondContact O-N 3.38Å; C59-N62 CarbonylContact O-C 3.6Å; C59-N62 PolarHBondContact O-N 3.23Å; C59-N62 VanDerWaalsContact O-N 3.14Å; C59-L63 WeakPolarHBondContact O-CD2 3.33Å; C59-L63 PolarHBondContact O-N 3.34Å; C59-M66 HydrophobicContact CB-CE 4.34Å; C59-M66 HydrophobicContact CB-CG 3.96Å; C59-M66 HydrophobicContact CB-SD 3.65Å; C59-M66 WeakPolarHBondContact SG-CG 3.44Å
60	R	95.3	Very high	93.7	Very high	97 Å²	97	41.8 Å²	41.8	37%	0.366	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-31.6	-178.8	-71.4	170.6	163.9	-159.4	-18.3	113.9	T42 C45 V56 Q57 L58	T42-R60 HydrophobicContact CG2-CB 4.36Å; T42-R60 PolarHBondContact O-NE 3.19Å; C45-R60 HydrophobicContact CB-CG 3.89Å; C45-R60 PolarHBondContact SG-N 3.37Å; C45-R60 VanDerWaalsContact SG-N 3.4Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.1Å; V56-R60 PolarHBondContact O-N 3.47Å; Q57-R60 PolarHBondContact O-N 2.85Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 2.99Å
61	S	94.3	Very high	94	Very high	83 Å²	83	45.5 Å²	45.5	58%	0.58	24%	0.241	S	C	*	.	H	α-helix	trans	-87.7	-12	178.4	47.7	0	0	0	0	113.2	Q57 L58 C59	Q57-S61 PolarHBondContact O-N 3.3Å; Q57-S61 VanDerWaalsContact O-N 3.16Å; Q57-S61 PolarHBondContact O-OG 3.27Å; L58-S61 WeakPolarHBondContact CA-OG 3.19Å; L58-S61 PolarHBondContact O-N 2.96Å; L58-S61 PolarHBondContact O-OG 3.35Å; L58-S61 VanDerWaalsContact O-OG 3.04Å; C59-S61 VanDerWaalsContact C-N 3.27Å; C59-S61 PolarHBondContact O-N 3.38Å
62	N	93.6	Very high	94.2	Very high	45 Å²	45	44.3 Å²	44.3	24%	0.241	24%	0.235	C	C	.	.			trans	-144.9	63.4	-174.7	-56.7	-96.4	0	0	0	109.6	L58 C59 E64 L65	L58-N62 WeakPolarHBondContact O-CB 3.32Å; L58-N62 PolarHBondContact O-N 2.81Å; L58-N62 PolarHBondContact O-ND2 3.32Å; L58-N62 VanDerWaalsContact O-ND2 3.07Å; C59-N62 CarbonylContact O-C 3.6Å; C59-N62 PolarHBondContact O-N 3.23Å; C59-N62 VanDerWaalsContact O-N 3.14Å; N62-E64 VanDerWaalsContact C-N 3.32Å; N62-E64 PolarHBondContact O-N 2.83Å; N62-L65 HydrophobicContact CB-CB 3.83Å; N62-L65 HydrophobicContact CB-CD2 4.09Å; N62-L65 WeakPolarHBondContact O-CB 3.01Å; N62-L65 PolarHBondContact O-N 3.38Å
63	L	92.9	Very high	94.6	Very high	39 Å²	39	42.9 Å²	42.9	20%	0.204	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-42.4	-175.9	-74	175.9	0	0	0	112.4	T42 C45 C59 L65 M66	T42-L63 HydrophobicContact CG2-CD1 4.05Å; C45-L63 VanDerWaalsContact SG-CD2 3.59Å; C59-L63 WeakPolarHBondContact O-CD2 3.33Å; C59-L63 PolarHBondContact O-N 3.34Å; L63-L65 VanDerWaalsContact C-N 3.25Å; L63-L65 PolarHBondContact O-N 3.11Å; L63-M66 WeakPolarHBondContact O-CB 3.13Å; L63-M66 PolarHBondContact O-N 3.33Å
64	E	91.4	Very high	94.9	Very high	121 Å²	121	42.6 Å²	42.6	57%	0.565	21%	0.211	S	C	*	.	H	α-helix	trans	-61.8	-33.2	-179.9	-61.3	174.8	142.3	0	0	112.5	N62 M66 L135 P136	N62-E64 VanDerWaalsContact C-N 3.32Å; N62-E64 PolarHBondContact O-N 2.83Å; E64-M66 PolarHBondContact O-N 2.99Å; E64-L135 HydrophobicContact CB-CD1 4.33Å; E64-P136 VanDerWaalsContact CD-CG 3.42Å; E64-P136 WeakPolarHBondContact OE1-CG 3.35Å; E64-P136 WeakPolarHBondContact OE2-CG 3.35Å
65	L	94	Very high	95.2	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-29.8	176.4	-177.9	64.5	0	0	0	112.1	N62 L63 H67 T68 V69 I126 L135 M167	N62-L65 HydrophobicContact CB-CB 3.83Å; N62-L65 HydrophobicContact CB-CD2 4.09Å; N62-L65 WeakPolarHBondContact O-CB 3.01Å; N62-L65 PolarHBondContact O-N 3.38Å; L63-L65 VanDerWaalsContact C-N 3.25Å; L63-L65 PolarHBondContact O-N 3.11Å; L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 2.81Å; L65-T68 WeakPolarHBondContact O-CA 3.28Å; L65-T68 WeakPolarHBondContact O-CB 3.4Å; L65-T68 PolarHBondContact O-N 3.47Å; L65-V69 HydrophobicContact CG-CG2 4.09Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 3.1Å; L65-I126 HydrophobicContact CD1-CD1 3.87Å; L65-I126 HydrophobicContact CD1-CG1 3.78Å; L65-I126 HydrophobicContact CD1-CG2 4.26Å; L65-L135 HydrophobicContact CB-CD1 4.3Å; L65-L135 HydrophobicContact CD1-CD1 4.3Å; L65-L135 HydrophobicContact CD1-CD2 3.72Å; L65-M167 HydrophobicContact CD2-CE 3.57Å
66	M	94.5	Very high	95.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-69.8	-28.4	-169.8	-67.4	-60.9	-51	0	0	113.8	L30 L39 L48 L51 C59 L63 E64 T68 V69 V70 F171	L30-M66 HydrophobicContact CD1-CE 3.95Å; L39-M66 HydrophobicContact CD1-CB 3.59Å; L48-M66 HydrophobicContact CD1-CE 3.71Å; L51-M66 HydrophobicContact CD1-CE 4.23Å; C59-M66 HydrophobicContact CB-CE 4.34Å; C59-M66 HydrophobicContact CB-CG 3.96Å; C59-M66 HydrophobicContact CB-SD 3.65Å; C59-M66 WeakPolarHBondContact SG-CG 3.44Å; L63-M66 WeakPolarHBondContact O-CB 3.13Å; L63-M66 PolarHBondContact O-N 3.33Å; E64-M66 PolarHBondContact O-N 2.99Å; M66-T68 VanDerWaalsContact C-N 3.26Å; M66-T68 PolarHBondContact O-N 2.57Å; M66-V69 HydrophobicContact CE-CB 4.26Å; M66-V69 HydrophobicContact CE-CG1 4.28Å; M66-V69 PolarHBondContact O-N 2.83Å; M66-V69 HydrophobicContact SD-CB 4.43Å; M66-V69 HydrophobicContact SD-CG2 4.33Å; M66-V70 VanDerWaalsContact O-CG2 3.32Å; M66-V70 WeakPolarHBondContact O-CG2 3.28Å; M66-V70 PolarHBondContact O-N 3.39Å; M66-F171 HydrophobicContact CE-CE2 4.33Å; M66-F171 HydrophobicContact CE-CZ 4.44Å; M66-F171 HydrophobicContact SD-CE2 4.08Å
67	H	93.4	Very high	95.5	Very high	99 Å²	99	43.4 Å²	43.4	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-41.6	171.1	-73.5	-75.4	0	0	0	111	L65 V70 H71	L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 2.81Å; H67-V70 PolarHBondContact O-N 3.23Å; H67-H71 PolarHBondContact O-N 2.82Å
68	T	96.3	Very high	95.7	Very high	14 Å²	14	41.4 Å²	41.4	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-38.9	175.2	-57.6	0	0	0	0	111.8	L65 M66 H71 A72 A125 I126 A129	L65-T68 WeakPolarHBondContact O-CA 3.28Å; L65-T68 WeakPolarHBondContact O-CB 3.4Å; L65-T68 PolarHBondContact O-N 3.47Å; M66-T68 VanDerWaalsContact C-N 3.26Å; M66-T68 PolarHBondContact O-N 2.57Å; T68-H71 PolarHBondContact O-N 3.27Å; T68-A72 WeakPolarHBondContact O-CB 3.23Å; T68-A72 PolarHBondContact O-N 2.61Å; T68-A125 HydrophobicContact CG2-CB 3.94Å; T68-I126 HydrophobicContact CG2-CG1 3.96Å; T68-A129 HydrophobicContact CG2-CB 3.88Å
69	V	96.8	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-41.7	176.7	178.4	0	0	0	0	111.8	W27 L30 L65 M66 H71 A72 A73 I122 F171	W27-V69 HydrophobicContact CE3-CG1 3.98Å; W27-V69 HydrophobicContact CZ3-CG1 4.07Å; L30-V69 HydrophobicContact CD1-CG1 3.66Å; L65-V69 HydrophobicContact CG-CG2 4.09Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 3.1Å; M66-V69 HydrophobicContact CE-CB 4.26Å; M66-V69 HydrophobicContact CE-CG1 4.28Å; M66-V69 PolarHBondContact O-N 2.83Å; M66-V69 HydrophobicContact SD-CB 4.43Å; M66-V69 HydrophobicContact SD-CG2 4.33Å; V69-H71 VanDerWaalsContact C-N 3.34Å; V69-A72 WeakPolarHBondContact O-CB 3.46Å; V69-A72 PolarHBondContact O-N 3.03Å; V69-A73 PolarHBondContact O-N 2.81Å; V69-I122 HydrophobicContact CG1-CD1 4.18Å; V69-I122 HydrophobicContact CG2-CD1 4.21Å; V69-F171 HydrophobicContact CG1-CD1 4.24Å; V69-F171 HydrophobicContact CG1-CE1 3.61Å; V69-F171 HydrophobicContact CG1-CE2 4.28Å; V69-F171 HydrophobicContact CG1-CZ 3.64Å
70	V	96.1	Very high	96.1	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-44.5	174.2	169	0	0	0	0	110.4	L30 L39 M66 H67 A72 A73 R74	L30-V70 HydrophobicContact CB-CG2 4.19Å; L30-V70 HydrophobicContact CD1-CG2 4.46Å; L39-V70 HydrophobicContact CD1-CG2 4.28Å; M66-V70 VanDerWaalsContact O-CG2 3.32Å; M66-V70 WeakPolarHBondContact O-CG2 3.28Å; M66-V70 PolarHBondContact O-N 3.39Å; H67-V70 PolarHBondContact O-N 3.23Å; V70-A72 PolarHBondContact O-N 2.69Å; V70-A73 PolarHBondContact O-N 2.87Å; V70-R74 PolarHBondContact O-N 2.89Å
71	H	96.3	Very high	96.2	Very high	94 Å²	94	40.7 Å²	40.7	44%	0.435	20%	0.196	S	C	.	.	H	α-helix	trans	-59	-46.3	174.4	177.6	66.7	0	0	0	111.8	H67 T68 V69 A73 R74 E75	H67-H71 PolarHBondContact O-N 2.82Å; T68-H71 PolarHBondContact O-N 3.27Å; V69-H71 VanDerWaalsContact C-N 3.34Å; H71-A73 VanDerWaalsContact C-N 3.32Å; H71-A73 PolarHBondContact O-N 3.35Å; H71-R74 PolarHBondContact O-N 3.38Å; H71-R74 VanDerWaalsContact O-N 3.14Å; H71-E75 PolarHBondContact O-N 2.83Å
72	A	98.2	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-42.1	176.8	0	0	0	0	0	112.4	W27 T68 V69 V70 R74 E75 V76 I122 A125	W27-A72 HydrophobicContact CH2-CB 4.32Å; W27-A72 HydrophobicContact CZ3-CB 4.43Å; T68-A72 WeakPolarHBondContact O-CB 3.23Å; T68-A72 PolarHBondContact O-N 2.61Å; V69-A72 WeakPolarHBondContact O-CB 3.46Å; V69-A72 PolarHBondContact O-N 3.03Å; V70-A72 PolarHBondContact O-N 2.69Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 3.02Å; A72-E75 PolarHBondContact O-N 3.37Å; A72-V76 WeakPolarHBondContact O-CG2 3.33Å; A72-V76 PolarHBondContact O-N 2.99Å; A72-I122 HydrophobicContact CB-CB 4.34Å; A72-I122 HydrophobicContact CB-CG1 4.42Å; A72-A125 HydrophobicContact CB-CB 3.75Å
73	A	98.1	Very high	96.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-42.6	177	0	0	0	0	0	111.7	W27 L28 L30 V69 V70 H71 V76 M77	W27-A73 HydrophobicContact CE3-CB 4.02Å; W27-A73 HydrophobicContact CZ3-CB 3.62Å; L28-A73 HydrophobicContact CD2-CB 4.49Å; L30-A73 HydrophobicContact CB-CB 4.03Å; V69-A73 PolarHBondContact O-N 2.81Å; V70-A73 PolarHBondContact O-N 2.87Å; H71-A73 VanDerWaalsContact C-N 3.32Å; H71-A73 PolarHBondContact O-N 3.35Å; A73-V76 PolarHBondContact O-N 3.11Å; A73-M77 WeakPolarHBondContact O-CG 3.23Å; A73-M77 PolarHBondContact O-N 2.52Å
74	R	97.6	Very high	96.7	Very high	86 Å²	86	40.6 Å²	40.6	33%	0.325	18%	0.18	S	C	.	.	H	α-helix	trans	-66.8	-41.5	177.4	-64.3	179.5	-173.8	142.9	-0.4	112	S31 T33 V70 H71 A72 V76 M77 K78	S31-R74 PolarHBondContact O-NE 2.87Å; T33-R74 PolarHBondContact O-NH2 2.68Å; V70-R74 PolarHBondContact O-N 2.89Å; H71-R74 PolarHBondContact O-N 3.38Å; H71-R74 VanDerWaalsContact O-N 3.14Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 3.02Å; R74-V76 VanDerWaalsContact C-N 3.33Å; R74-V76 PolarHBondContact O-N 3.44Å; R74-M77 PolarHBondContact O-N 3.09Å; R74-K78 PolarHBondContact O-N 3.11Å; R74-K78 VanDerWaalsContact O-N 3.11Å
75	E	98.3	Very high	96.9	Very high	52 Å²	52	37.9 Å²	37.9	24%	0.243	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-32.7	177.4	-73.4	-60.5	118.3	0	0	112.1	H71 A72 K78 A79 L230	H71-E75 PolarHBondContact O-N 2.83Å; A72-E75 PolarHBondContact O-N 3.37Å; E75-K78 PolarHBondContact O-N 3.24Å; E75-K78 IonicContact OE1-NZ 2.82Å; E75-K78 PolarHBondContact OE1-NZ 2.96Å; E75-K78 IonicContact OE2-NZ 3.1Å; E75-K78 PolarHBondContact OE2-NZ 2.82Å; E75-A79 WeakPolarHBondContact O-CB 3.33Å; E75-A79 PolarHBondContact O-N 3.25Å; E75-L230 HydrophobicContact CB-CD2 3.88Å
76	V	98.5	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-49.4	169.5	172.6	0	0	0	0	111.2	W27 L28 A72 A73 R74 K78 A79 C80 L117 A121	W27-V76 HydrophobicContact CH2-CG2 4.49Å; L28-V76 HydrophobicContact CD1-CG1 4.01Å; L28-V76 HydrophobicContact CD2-CB 3.87Å; L28-V76 HydrophobicContact CD2-CG1 3.74Å; L28-V76 HydrophobicContact CD2-CG2 4.07Å; A72-V76 WeakPolarHBondContact O-CG2 3.33Å; A72-V76 PolarHBondContact O-N 2.99Å; A73-V76 PolarHBondContact O-N 3.11Å; R74-V76 VanDerWaalsContact C-N 3.33Å; R74-V76 PolarHBondContact O-N 3.44Å; V76-K78 VanDerWaalsContact C-N 3.31Å; V76-K78 PolarHBondContact O-N 2.88Å; V76-A79 PolarHBondContact O-N 2.88Å; V76-C80 VanDerWaalsContact O-CB 3.28Å; V76-C80 WeakPolarHBondContact O-CB 3.42Å; V76-C80 PolarHBondContact O-N 2.84Å; V76-L117 HydrophobicContact CG1-CD2 4.32Å; V76-L117 HydrophobicContact CG1-CG 4.45Å; V76-A121 HydrophobicContact CG2-CB 3.32Å
77	M	97.6	Very high	97	Very high	17 Å²	17	41.4 Å²	41.4	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-55.3	-50	180	-64.3	-60.2	-177.5	0	0	111.1	L28 S31 A73 R74 R81 I94 E95 A97	L28-M77 HydrophobicContact CB-CE 3.7Å; L28-M77 VanDerWaalsContact O-CE 3.27Å; L28-M77 WeakPolarHBondContact O-CE 3.42Å; S31-M77 WeakPolarHBondContact OG-CE 3.36Å; A73-M77 WeakPolarHBondContact O-CG 3.23Å; A73-M77 PolarHBondContact O-N 2.52Å; R74-M77 PolarHBondContact O-N 3.09Å; M77-R81 WeakPolarHBondContact O-CB 3.23Å; M77-R81 WeakPolarHBondContact O-CG 3.29Å; M77-R81 PolarHBondContact O-N 3.06Å; M77-R81 VanDerWaalsContact O-N 3.12Å; M77-I94 HydrophobicContact CB-CD1 4.47Å; M77-I94 WeakPolarHBondContact CE-O 3.2Å; M77-I94 HydrophobicContact SD-CB 4.05Å; M77-I94 HydrophobicContact SD-CD1 3.36Å; M77-I94 WeakPolarHBondContact SD-CD1 3.16Å; M77-I94 HydrophobicContact SD-CG1 3.49Å; M77-I94 WeakPolarHBondContact SD-CG1 3.27Å; M77-E95 HydrophobicContact SD-CG 4.44Å; M77-A97 HydrophobicContact CE-CB 4.38Å
78	K	97.9	Very high	97.2	Very high	83 Å²	83	41 Å²	41	36%	0.361	19%	0.19	S	C	.	.	H	α-helix	trans	-66.2	-45.8	-179	179.1	-178.7	165.3	-158.7	0	112.4	R74 E75 V76 R82	R74-K78 PolarHBondContact O-N 3.11Å; R74-K78 VanDerWaalsContact O-N 3.11Å; E75-K78 PolarHBondContact O-N 3.24Å; E75-K78 IonicContact OE1-NZ 2.82Å; E75-K78 PolarHBondContact OE1-NZ 2.96Å; E75-K78 IonicContact OE2-NZ 3.1Å; E75-K78 PolarHBondContact OE2-NZ 2.82Å; V76-K78 VanDerWaalsContact C-N 3.31Å; V76-K78 PolarHBondContact O-N 2.88Å; K78-R82 WeakPolarHBondContact O-CB 3.47Å; K78-R82 WeakPolarHBondContact O-CD 3.38Å; K78-R82 WeakPolarHBondContact O-CG 3.43Å; K78-R82 PolarHBondContact O-N 3.3Å
79	A	98.4	Very high	97.2	Very high	8 Å²	8	40.7 Å²	40.7	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-40.9	-179.4	0	0	0	0	0	111.5	E75 V76 R82 A83 L117 L230 A234	E75-A79 WeakPolarHBondContact O-CB 3.33Å; E75-A79 PolarHBondContact O-N 3.25Å; V76-A79 PolarHBondContact O-N 2.88Å; A79-R82 PolarHBondContact O-N 3.1Å; A79-A83 VanDerWaalsContact O-CB 3.29Å; A79-A83 WeakPolarHBondContact O-CB 3.35Å; A79-A83 PolarHBondContact O-N 3.34Å; A79-L117 HydrophobicContact CB-CD1 4.34Å; A79-L117 HydrophobicContact CB-CD2 4.15Å; A79-L230 HydrophobicContact CB-CD2 4.19Å; A79-L230 HydrophobicContact CB-CG 4.36Å; A79-A234 HydrophobicContact CB-CB 4.31Å
80	C	98.4	Very high	97.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.5	-49.7	178.9	-163.9	0	0	0	0	112	V76 R82 A83 F84 C91 I94 F113 L117	V76-C80 VanDerWaalsContact O-CB 3.28Å; V76-C80 WeakPolarHBondContact O-CB 3.42Å; V76-C80 PolarHBondContact O-N 2.84Å; C80-R82 VanDerWaalsContact C-N 3.27Å; C80-R82 PolarHBondContact O-N 3.25Å; C80-A83 PolarHBondContact O-N 2.93Å; C80-F84 PolarHBondContact O-N 3.03Å; C80-C91 HydrophobicContact CB-CB 3.89Å; C80-C91 WeakPolarHBondContact CB-SG 3.29Å; C80-C91 WeakPolarHBondContact SG-CB 3.19Å; C80-C91 CovalentContact SG-SG 2.01Å; C80-C91 PolarHBondContact SG-SG 2.84Å; C80-I94 HydrophobicContact CB-CD1 3.69Å; C80-F113 HydrophobicContact CB-CE1 4.33Å; C80-L117 HydrophobicContact CB-CD2 3.74Å
81	R	97.3	Very high	97.1	Very high	95 Å²	95	42 Å²	42	36%	0.358	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-37.6	177.4	-72.3	-170.8	69.4	128.8	7.5	112.6	M77 A85 C91 E95	M77-R81 WeakPolarHBondContact O-CB 3.23Å; M77-R81 WeakPolarHBondContact O-CG 3.29Å; M77-R81 PolarHBondContact O-N 3.06Å; M77-R81 VanDerWaalsContact O-N 3.12Å; R81-A85 WeakPolarHBondContact O-CB 3.19Å; R81-A85 PolarHBondContact O-N 3.36Å; R81-A85 VanDerWaalsContact O-N 3.07Å; R81-C91 WeakPolarHBondContact CG-O 3.41Å; R81-E95 WeakPolarHBondContact CD-OE1 3.45Å; R81-E95 IonicContact CZ-OE1 3.56Å; R81-E95 IonicContact NE-OE1 3.68Å; R81-E95 IonicContact NH1-OE1 2.92Å; R81-E95 PolarHBondContact NH1-OE1 2.85Å; R81-E95 IonicContact NH1-OE2 3.89Å; R81-E95 PolarHBondContact NH1-OE2 2.53Å
82	R	97.3	Very high	97	Very high	152 Å²	152	38 Å²	38	57%	0.574	18%	0.177	S	C	*	.	H	α-helix	trans	-67.4	-46.1	174.6	-75.1	171.9	178.5	-168.6	-5.1	112	K78 A79 C80 F84 A85	K78-R82 WeakPolarHBondContact O-CB 3.47Å; K78-R82 WeakPolarHBondContact O-CD 3.38Å; K78-R82 WeakPolarHBondContact O-CG 3.43Å; K78-R82 PolarHBondContact O-N 3.3Å; A79-R82 PolarHBondContact O-N 3.1Å; C80-R82 VanDerWaalsContact C-N 3.27Å; C80-R82 PolarHBondContact O-N 3.25Å; R82-F84 PolarHBondContact O-N 2.68Å; R82-A85 PolarHBondContact O-N 3.41Å
83	A	97.7	Very high	96.7	Very high	14 Å²	14	38 Å²	38	12%	0.116	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-32.3	-179.5	0	0	0	0	0	112	A79 C80 F113 A234 K238	A79-A83 VanDerWaalsContact O-CB 3.29Å; A79-A83 WeakPolarHBondContact O-CB 3.35Å; A79-A83 PolarHBondContact O-N 3.34Å; C80-A83 PolarHBondContact O-N 2.93Å; A83-F113 HydrophobicContact CB-CZ 4.13Å; A83-A234 HydrophobicContact CB-CB 4.49Å; A83-K238 WeakPolarHBondContact O-CD 3.4Å; A83-K238 WeakPolarHBondContact O-CE 3.23Å; A83-K238 PolarHBondContact O-NZ 3Å
84	F	97.3	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	12.7	-175.5	-76.8	-94.2	0	0	0	114.5	C80 R82 D86 M87 W89 N90 C91 F113 K238 Y241	C80-F84 PolarHBondContact O-N 3.03Å; R82-F84 PolarHBondContact O-N 2.68Å; F84-D86 PolarHBondContact O-N 3.35Å; F84-D86 VanDerWaalsContact O-N 3.11Å; F84-M87 HydrophobicContact CB-CB 4.37Å; F84-M87 HydrophobicContact CD1-CB 3.81Å; F84-M87 HydrophobicContact CD1-CG 3.76Å; F84-M87 HydrophobicContact CE1-CG 4.37Å; F84-M87 PolarHBondContact O-N 3.43Å; F84-W89 HydrophobicContact CB-CE3 4.22Å; F84-W89 HydrophobicContact CB-CZ3 4.32Å; F84-W89 WeakPolarHBondContact CB-O 3.14Å; F84-W89 AromaticContact CD1-CE3 3.41Å; F84-W89 HydrophobicContact CD1-CE3 3.41Å; F84-W89 VanDerWaalsContact CD1-CE3 3.41Å; F84-W89 AromaticContact CD1-CZ3 3.65Å; F84-W89 HydrophobicContact CD1-CZ3 3.65Å; F84-W89 HydrophobicContact CD2-CE3 4.32Å; F84-W89 AromaticContact CD2-CZ3 3.75Å; F84-W89 HydrophobicContact CD2-CZ3 3.75Å; F84-W89 AromaticContact CE1-CE3 3.76Å; F84-W89 HydrophobicContact CE1-CE3 3.76Å; F84-W89 AromaticContact CE1-CZ3 3.8Å; F84-W89 HydrophobicContact CE1-CZ3 3.8Å; F84-W89 AromaticContact CE2-CZ3 3.92Å; F84-W89 HydrophobicContact CE2-CZ3 3.92Å; F84-W89 AromaticContact CG-CE3 3.72Å; F84-W89 HydrophobicContact CG-CE3 3.72Å; F84-W89 AromaticContact CG-CZ3 3.62Å; F84-W89 HydrophobicContact CG-CZ3 3.62Å; F84-W89 HydrophobicContact CZ-CE3 4.37Å; F84-W89 AromaticContact CZ-CZ3 3.93Å; F84-W89 HydrophobicContact CZ-CZ3 3.93Å; F84-N90 WeakPolarHBondContact O-CA 3.29Å; F84-C91 HydrophobicContact CB-CB 4.26Å; F84-F113 HydrophobicContact CD2-CD1 4.3Å; F84-F113 HydrophobicContact CD2-CE1 4.02Å; F84-F113 HydrophobicContact CD2-CZ 4.31Å; F84-F113 AromaticContact CE2-CD1 3.46Å; F84-F113 HydrophobicContact CE2-CD1 3.46Å; F84-F113 VanDerWaalsContact CE2-CD1 3.46Å; F84-F113 AromaticContact CE2-CD2 3.84Å; F84-F113 HydrophobicContact CE2-CD2 3.84Å; F84-F113 AromaticContact CE2-CE1 3.44Å; F84-F113 HydrophobicContact CE2-CE1 3.44Å; F84-F113 VanDerWaalsContact CE2-CE1 3.44Å; F84-F113 AromaticContact CE2-CE2 3.79Å; F84-F113 HydrophobicContact CE2-CE2 3.79Å; F84-F113 AromaticContact CE2-CG 3.68Å; F84-F113 HydrophobicContact CE2-CG 3.68Å; F84-F113 AromaticContact CE2-CZ 3.61Å; F84-F113 HydrophobicContact CE2-CZ 3.61Å; F84-F113 HydrophobicContact CZ-CB 4.42Å; F84-F113 HydrophobicContact CZ-CD1 4.11Å; F84-F113 HydrophobicContact CZ-CD2 4.1Å; F84-F113 HydrophobicContact CZ-CE1 4.46Å; F84-F113 HydrophobicContact CZ-CE2 4.43Å; F84-F113 AromaticContact CZ-CG 3.93Å; F84-F113 HydrophobicContact CZ-CG 3.93Å; F84-K238 HydrophobicContact CZ-CG 4.49Å; F84-Y241 AromaticContact CE1-CD1 3.86Å; F84-Y241 HydrophobicContact CE1-CD1 3.86Å; F84-Y241 HydrophobicContact CE1-CD2 4.29Å; F84-Y241 AromaticContact CE1-CE1 3.58Å; F84-Y241 HydrophobicContact CE1-CE1 3.58Å; F84-Y241 HydrophobicContact CE1-CE2 4Å; F84-Y241 HydrophobicContact CE1-CG 4.24Å; F84-Y241 AromaticContact CE1-CZ 3.67Å; F84-Y241 AromaticContact CZ-CD1 3.8Å; F84-Y241 HydrophobicContact CZ-CD1 3.8Å; F84-Y241 AromaticContact CZ-CD2 3.9Å; F84-Y241 HydrophobicContact CZ-CD2 3.9Å; F84-Y241 HydrophobicContact CZ-CE1 4Å; F84-Y241 HydrophobicContact CZ-CE2 4.05Å; F84-Y241 AromaticContact CZ-CG 3.79Å; F84-Y241 HydrophobicContact CZ-CG 3.79Å
85	A	95.5	Very high	96.4	Very high	64 Å²	64	38 Å²	38	53%	0.529	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.3	-178.8	0	0	0	0	0	113.4	R81 R82 R297	R81-A85 WeakPolarHBondContact O-CB 3.19Å; R81-A85 PolarHBondContact O-N 3.36Å; R81-A85 VanDerWaalsContact O-N 3.07Å; R82-A85 PolarHBondContact O-N 3.41Å; A85-R297 PolarHBondContact O-NH2 2.9Å
86	D	94.2	Very high	96.2	Very high	51 Å²	51	39 Å²	39	27%	0.273	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.4	179.2	62.9	-19.8	0	0	0	113.9	F84 K238 S306 D307 M312	F84-D86 PolarHBondContact O-N 3.35Å; F84-D86 VanDerWaalsContact O-N 3.11Å; D86-K238 IonicContact OD1-NZ 3.01Å; D86-K238 PolarHBondContact OD1-NZ 2.88Å; D86-K238 IonicContact OD2-NZ 2.8Å; D86-K238 PolarHBondContact OD2-NZ 3.47Å; D86-S306 CarbonylContact O-C 3.51Å; D86-S306 WeakPolarHBondContact O-CB 3.08Å; D86-S306 PolarHBondContact O-OG 3.41Å; D86-S306 PolarHBondContact OD2-OG 3.23Å; D86-D307 HydrophobicContact CB-CB 3.93Å; D86-D307 PolarHBondContact O-N 2.93Å; D86-M312 WeakPolarHBondContact O-CE 3.36Å
87	M	96	Very high	96	Very high	32 Å²	32	39 Å²	39	16%	0.158	19%	0.188	C	C	.	.	S	Bend	trans	-116.2	151.7	-177.9	-67.4	-72	-70.8	0	0	110.8	F84 W89 Y241 L242 R297 S306	F84-M87 HydrophobicContact CB-CB 4.37Å; F84-M87 HydrophobicContact CD1-CB 3.81Å; F84-M87 HydrophobicContact CD1-CG 3.76Å; F84-M87 HydrophobicContact CE1-CG 4.37Å; F84-M87 PolarHBondContact O-N 3.43Å; M87-W89 VanDerWaalsContact C-N 3.33Å; M87-W89 WeakPolarHBondContact CB-O 3.24Å; M87-W89 CarbonylContact O-C 3.35Å; M87-W89 PolarHBondContact O-N 2.8Å; M87-Y241 HydrophobicContact CE-CE1 4.02Å; M87-L242 HydrophobicContact CE-CD2 4.26Å; M87-R297 VanDerWaalsContact O-CZ 3.22Å; M87-R297 PolarHBondContact O-NH1 2.9Å; M87-R297 PolarHBondContact O-NH2 3.08Å; M87-S306 WeakPolarHBondContact SD-CB 3.31Å; M87-S306 PolarHBondContact SD-OG 2.02Å; M87-S306 VanDerWaalsContact SD-OG 3.38Å
88	R	96.7	Very high	95.7	Very high	91 Å²	91	39.2 Å²	39.2	34%	0.343	19%	0.19	S	C	.	.	S	Bend	trans	-56.7	-44.3	178.7	-60	180	-174.1	154.6	1.5	112.4	F282 T294 R297 L311 M312 C314	R88-F282 HydrophobicContact CB-CB 3.78Å; R88-T294 HydrophobicContact CB-CG2 3.92Å; R88-T294 HydrophobicContact CG-CG2 3.99Å; R88-R297 PolarHBondContact O-NH1 3.21Å; R88-L311 PolarHBondContact NE-O 3.04Å; R88-L311 PolarHBondContact NH2-O 2.84Å; R88-M312 HydrophobicContact CG-SD 4.47Å; R88-C314 PolarHBondContact NE-SG 3.01Å
89	W	96.7	Very high	95.4	Very high	8 Å²	8	41 Å²	41	3%	0.03	20%	0.203	C	C	.	.	S	Bend	trans	-82.2	113	162.2	-179	84.1	0	0	0	108.4	F84 M87 C91 S93 D103 L104 E110 V114 F282	F84-W89 HydrophobicContact CB-CE3 4.22Å; F84-W89 HydrophobicContact CB-CZ3 4.32Å; F84-W89 WeakPolarHBondContact CB-O 3.14Å; F84-W89 AromaticContact CD1-CE3 3.41Å; F84-W89 HydrophobicContact CD1-CE3 3.41Å; F84-W89 VanDerWaalsContact CD1-CE3 3.41Å; F84-W89 AromaticContact CD1-CZ3 3.65Å; F84-W89 HydrophobicContact CD1-CZ3 3.65Å; F84-W89 HydrophobicContact CD2-CE3 4.32Å; F84-W89 AromaticContact CD2-CZ3 3.75Å; F84-W89 HydrophobicContact CD2-CZ3 3.75Å; F84-W89 AromaticContact CE1-CE3 3.76Å; F84-W89 HydrophobicContact CE1-CE3 3.76Å; F84-W89 AromaticContact CE1-CZ3 3.8Å; F84-W89 HydrophobicContact CE1-CZ3 3.8Å; F84-W89 AromaticContact CE2-CZ3 3.92Å; F84-W89 HydrophobicContact CE2-CZ3 3.92Å; F84-W89 AromaticContact CG-CE3 3.72Å; F84-W89 HydrophobicContact CG-CE3 3.72Å; F84-W89 AromaticContact CG-CZ3 3.62Å; F84-W89 HydrophobicContact CG-CZ3 3.62Å; F84-W89 HydrophobicContact CZ-CE3 4.37Å; F84-W89 AromaticContact CZ-CZ3 3.93Å; F84-W89 HydrophobicContact CZ-CZ3 3.93Å; M87-W89 VanDerWaalsContact C-N 3.33Å; M87-W89 WeakPolarHBondContact CB-O 3.24Å; M87-W89 CarbonylContact O-C 3.35Å; M87-W89 PolarHBondContact O-N 2.8Å; W89-C91 HydrophobicContact CE3-CB 4.22Å; W89-C91 HydrophobicContact CH2-CB 3.53Å; W89-C91 WeakPolarHBondContact CH2-SG 3.48Å; W89-C91 HydrophobicContact CZ2-CB 3.91Å; W89-C91 HydrophobicContact CZ3-CB 3.7Å; W89-S93 PolarHBondContact NE1-OG 3.39Å; W89-D103 PolarHBondContact NE1-OD2 2.65Å; W89-L104 HydrophobicContact CZ2-CD2 4.13Å; W89-E110 HydrophobicContact CB-CG 4.28Å; W89-E110 HydrophobicContact CD2-CB 4.01Å; W89-E110 HydrophobicContact CD2-CG 3.4Å; W89-E110 VanDerWaalsContact CD2-CG 3.4Å; W89-E110 HydrophobicContact CE3-CB 4.25Å; W89-E110 HydrophobicContact CE3-CG 3.73Å; W89-E110 HydrophobicContact CG-CG 3.67Å; W89-E110 HydrophobicContact CH2-CB 4.02Å; W89-E110 HydrophobicContact CH2-CG 4.4Å; W89-E110 HydrophobicContact CZ2-CB 3.78Å; W89-E110 HydrophobicContact CZ2-CG 4.16Å; W89-E110 HydrophobicContact CZ3-CB 4.25Å; W89-E110 HydrophobicContact CZ3-CG 4.21Å; W89-V114 HydrophobicContact CH2-CG2 3.81Å; W89-V114 HydrophobicContact CZ2-CG2 4.26Å; W89-F282 HydrophobicContact CB-CD1 4.08Å; W89-F282 HydrophobicContact CB-CD2 3.76Å; W89-F282 HydrophobicContact CB-CE1 4.08Å; W89-F282 HydrophobicContact CB-CE2 3.74Å; W89-F282 HydrophobicContact CB-CG 3.92Å; W89-F282 HydrophobicContact CB-CZ 3.9Å; W89-F282 AromaticContact CD1-CE1 3.45Å; W89-F282 VanDerWaalsContact CD1-CE1 3.45Å; W89-F282 AromaticContact CD1-CZ 3.63Å; W89-F282 HydrophobicContact CG-CD1 4.47Å; W89-F282 HydrophobicContact CG-CE1 4.08Å; W89-F282 HydrophobicContact CG-CE2 4.25Å; W89-F282 AromaticContact CG-CZ 3.95Å; W89-F282 HydrophobicContact CG-CZ 3.95Å
90	N	95.4	Very high	95.1	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.193	20%	0.202	C	C	.	.			trans	-101.5	14.5	-174.5	67.7	-2.2	0	0	0	113.5	F84 S92	F84-N90 WeakPolarHBondContact O-CA 3.29Å; N90-S92 VanDerWaalsContact C-N 3.3Å; N90-S92 PolarHBondContact O-N 3.36Å; N90-S92 VanDerWaalsContact OD1-CB 3.32Å; N90-S92 WeakPolarHBondContact OD1-CB 3.32Å; N90-S92 PolarHBondContact OD1-N 3.5Å; N90-S92 PolarHBondContact OD1-OG 3.25Å
91	C	96.1	Very high	94.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	58.9	32.5	-175.8	-157.9	0	0	0	0	114.7	C80 R81 F84 W89 I94	C80-C91 HydrophobicContact CB-CB 3.89Å; C80-C91 WeakPolarHBondContact CB-SG 3.29Å; C80-C91 WeakPolarHBondContact SG-CB 3.19Å; C80-C91 CovalentContact SG-SG 2.01Å; C80-C91 PolarHBondContact SG-SG 2.84Å; R81-C91 WeakPolarHBondContact CG-O 3.41Å; F84-C91 HydrophobicContact CB-CB 4.26Å; W89-C91 HydrophobicContact CE3-CB 4.22Å; W89-C91 HydrophobicContact CH2-CB 3.53Å; W89-C91 WeakPolarHBondContact CH2-SG 3.48Å; W89-C91 HydrophobicContact CZ2-CB 3.91Å; W89-C91 HydrophobicContact CZ3-CB 3.7Å; C91-I94 VanDerWaalsContact O-CG1 3.25Å; C91-I94 WeakPolarHBondContact O-CG1 3.42Å; C91-I94 WeakPolarHBondContact SG-CD1 3.35Å
92	S	93.6	Very high	94.5	Very high	10 Å²	10	41.2 Å²	41.2	7%	0.07	21%	0.209	C	C	.	.			trans	-76.6	-28.4	170.5	53.9	0	0	0	0	113	N90 I94 E95 H292	N90-S92 VanDerWaalsContact C-N 3.3Å; N90-S92 PolarHBondContact O-N 3.36Å; N90-S92 VanDerWaalsContact OD1-CB 3.32Å; N90-S92 WeakPolarHBondContact OD1-CB 3.32Å; N90-S92 PolarHBondContact OD1-N 3.5Å; N90-S92 PolarHBondContact OD1-OG 3.25Å; S92-I94 PolarHBondContact O-N 2.99Å; S92-I94 VanDerWaalsContact O-N 3.16Å; S92-E95 WeakPolarHBondContact O-CB 3.34Å; S92-E95 PolarHBondContact O-N 3.28Å; S92-H292 PolarHBondContact OG-CD2 3.44Å; S92-H292 PolarHBondContact OG-NE2 2.51Å
93	S	92.9	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-63.8	-21.2	-176.7	60.7	0	0	0	0	114.1	W89 E95 L96 D103	W89-S93 PolarHBondContact NE1-OG 3.39Å; S93-E95 PolarHBondContact O-N 2.83Å; S93-L96 WeakPolarHBondContact O-CB 3.45Å; S93-L96 PolarHBondContact O-N 2.99Å; S93-L96 VanDerWaalsContact O-N 3.17Å; S93-D103 WeakPolarHBondContact CB-OD2 3.18Å; S93-D103 PolarHBondContact OG-OD2 2.75Å
94	I	94.9	Very high	94.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-66.1	-21.1	175.1	60.8	168.8	0	0	0	112.4	M77 C80 C91 S92 L96 A97 L104 V114	M77-I94 HydrophobicContact CB-CD1 4.47Å; M77-I94 WeakPolarHBondContact CE-O 3.2Å; M77-I94 HydrophobicContact SD-CB 4.05Å; M77-I94 HydrophobicContact SD-CD1 3.36Å; M77-I94 WeakPolarHBondContact SD-CD1 3.16Å; M77-I94 HydrophobicContact SD-CG1 3.49Å; M77-I94 WeakPolarHBondContact SD-CG1 3.27Å; C80-I94 HydrophobicContact CB-CD1 3.69Å; C91-I94 VanDerWaalsContact O-CG1 3.25Å; C91-I94 WeakPolarHBondContact O-CG1 3.42Å; C91-I94 WeakPolarHBondContact SG-CD1 3.35Å; S92-I94 PolarHBondContact O-N 2.99Å; S92-I94 VanDerWaalsContact O-N 3.16Å; I94-L96 PolarHBondContact O-N 3.12Å; I94-A97 WeakPolarHBondContact O-CB 3.36Å; I94-A97 PolarHBondContact O-N 3.09Å; I94-L104 HydrophobicContact CB-CD1 4.4Å; I94-L104 HydrophobicContact CG2-CD1 3.56Å; I94-L104 HydrophobicContact CG2-CD2 4.43Å; I94-V114 HydrophobicContact CG2-CG1 3.97Å; I94-V114 HydrophobicContact CG2-CG2 3.72Å
95	E	93.9	Very high	93.7	Very high	85 Å²	85	35.7 Å²	35.7	40%	0.397	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-69	-15.7	176.5	-63.8	179.5	167.1	0	0	112.4	K32 M77 R81 S92 S93 A97	K32-E95 WeakPolarHBondContact CE-O 3.13Å; K32-E95 PolarHBondContact NZ-O 3.44Å; M77-E95 HydrophobicContact SD-CG 4.44Å; R81-E95 WeakPolarHBondContact CD-OE1 3.45Å; R81-E95 IonicContact CZ-OE1 3.56Å; R81-E95 IonicContact NE-OE1 3.68Å; R81-E95 IonicContact NH1-OE1 2.92Å; R81-E95 PolarHBondContact NH1-OE1 2.85Å; R81-E95 IonicContact NH1-OE2 3.89Å; R81-E95 PolarHBondContact NH1-OE2 2.53Å; S92-E95 WeakPolarHBondContact O-CB 3.34Å; S92-E95 PolarHBondContact O-N 3.28Å; S93-E95 PolarHBondContact O-N 2.83Å; E95-A97 PolarHBondContact O-N 2.85Å
96	L	93.5	Very high	93.2	Very high	74 Å²	74	38.2 Å²	38.2	39%	0.387	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-76.9	-1.5	175.4	-59	174.9	0	0	0	113.1	S93 I94 N99 L101	S93-L96 WeakPolarHBondContact O-CB 3.45Å; S93-L96 PolarHBondContact O-N 2.99Å; S93-L96 VanDerWaalsContact O-N 3.17Å; I94-L96 PolarHBondContact O-N 3.12Å; L96-N99 WeakPolarHBondContact CB-O 3.48Å; L96-N99 CarbonylContact O-C 3.54Å; L96-N99 PolarHBondContact O-N 3.15Å; L96-N99 VanDerWaalsContact O-O 3.05Å; L96-L101 HydrophobicContact CD1-CD1 3.29Å; L96-L101 HydrophobicContact CD1-CD2 4.35Å; L96-L101 HydrophobicContact CD1-CG 3.64Å
97	A	93.6	Very high	93.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	133.9	173.2	0	0	0	0	0	111.7	L28 A29 K32 M77 I94 E95 Y100	L28-A97 HydrophobicContact CB-CB 4.18Å; A29-A97 HydrophobicContact CB-CB 4.05Å; K32-A97 PolarHBondContact NZ-O 2.94Å; M77-A97 HydrophobicContact CE-CB 4.38Å; I94-A97 WeakPolarHBondContact O-CB 3.36Å; I94-A97 PolarHBondContact O-N 3.09Å; E95-A97 PolarHBondContact O-N 2.85Å; A97-Y100 HydrophobicContact CB-CE1 3.72Å; A97-Y100 VanDerWaalsContact CB-OH 3.25Å; A97-Y100 WeakPolarHBondContact CB-OH 3.45Å
98	P	93.1	Very high	93.1	Very high	20 Å²	20	34.4 Å²	34.4	13%	0.13	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.6	3.7	8.3	36.2	-36.2	0	0	0	115.3	K26 A29	K26-P98 HydrophobicContact CB-CB 3.94Å; K26-P98 HydrophobicContact CD-CB 4.21Å; K26-P98 HydrophobicContact CG-CB 4.04Å; A29-P98 HydrophobicContact CB-CB 4.23Å; A29-P98 HydrophobicContact CB-CG 4.44Å
99	N	91.9	Very high	93.2	Very high	121 Å²	121	32.9 Å²	32.9	65%	0.647	16%	0.158	S	C	*	.	S	Bend	trans	-105	91.5	-172.8	-60.2	-44.9	0	0	0	110.1	L96	L96-N99 WeakPolarHBondContact CB-O 3.48Å; L96-N99 CarbonylContact O-C 3.54Å; L96-N99 PolarHBondContact O-N 3.15Å; L96-N99 VanDerWaalsContact O-O 3.05Å
100	Y	91.9	Very high	93.2	Very high	10 Å²	10	32.6 Å²	32.6	4%	0.039	16%	0.157	C	C	.	.			trans	-86.1	160.5	-174.6	-63.8	-58.9	0	0	0	113.4	I25 K26 A97 L104 E105	I25-Y100 HydrophobicContact CD1-CE2 4.03Å; I25-Y100 HydrophobicContact CG1-CD2 4.42Å; I25-Y100 HydrophobicContact CG1-CE2 3.7Å; I25-Y100 PolarHBondContact O-OH 3.31Å; K26-Y100 HydrophobicContact CG-CE2 4.4Å; A97-Y100 HydrophobicContact CB-CE1 3.72Å; A97-Y100 VanDerWaalsContact CB-OH 3.25Å; A97-Y100 WeakPolarHBondContact CB-OH 3.45Å; Y100-L104 HydrophobicContact CD1-CB 4.44Å; Y100-L104 HydrophobicContact CD1-CD1 3.58Å; Y100-L104 HydrophobicContact CE1-CD1 4.04Å; Y100-L104 HydrophobicContact CG-CB 4.22Å; Y100-L104 HydrophobicContact CG-CD1 4.19Å; Y100-E105 VanDerWaalsContact O-CD 3.27Å
101	L	91.8	Very high	93.3	Very high	43 Å²	43	30.9 Å²	30.9	23%	0.225	15%	0.148	C	C	.	.			trans	-96.9	175.1	174.7	-55.5	172.2	0	0	0	110.3	L96 D103 L104 E105 E287	L96-L101 HydrophobicContact CD1-CD1 3.29Å; L96-L101 HydrophobicContact CD1-CD2 4.35Å; L96-L101 HydrophobicContact CD1-CG 3.64Å; L101-D103 WeakPolarHBondContact CB-OD1 3.32Å; L101-D103 PolarHBondContact O-N 2.75Å; L101-D103 VanDerWaalsContact O-N 3.1Å; L101-L104 PolarHBondContact O-N 2.99Å; L101-E105 WeakPolarHBondContact O-CG 3.34Å; L101-E105 PolarHBondContact O-N 3.03Å; L101-E287 VanDerWaalsContact CD1-O 3.24Å; L101-E287 WeakPolarHBondContact CD1-O 3.36Å; L101-E287 WeakPolarHBondContact CD2-O 3.48Å
102	L	91.3	Very high	93.3	Very high	55 Å²	55	30.9 Å²	30.9	29%	0.288	15%	0.148	S	C	.	.	H	α-helix	trans	-63.4	-23.1	-169.7	-60.3	174.5	0	0	0	114.2	L104 R106 K288	L102-L104 PolarHBondContact O-N 3Å; L102-R106 HydrophobicContact CB-CG 4.16Å; L102-R106 HydrophobicContact CD2-CG 3.82Å; L102-R106 PolarHBondContact O-N 2.96Å; L102-K288 WeakPolarHBondContact CD1-O 3.47Å; L102-K288 WeakPolarHBondContact CG-O 3.23Å
103	D	93.2	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-18.9	172.1	67.5	-41.5	0	0	0	113.1	W89 S93 L101 T108 F282 V289	W89-D103 PolarHBondContact NE1-OD2 2.65Å; S93-D103 WeakPolarHBondContact CB-OD2 3.18Å; S93-D103 PolarHBondContact OG-OD2 2.75Å; L101-D103 WeakPolarHBondContact CB-OD1 3.32Å; L101-D103 PolarHBondContact O-N 2.75Å; L101-D103 VanDerWaalsContact O-N 3.1Å; D103-T108 PolarHBondContact O-OG1 3.36Å; D103-F282 HydrophobicContact CB-CE1 4.08Å; D103-F282 HydrophobicContact CB-CZ 4.17Å; D103-V289 WeakPolarHBondContact CB-O 3.48Å; D103-V289 PolarHBondContact N-O 3.13Å
104	L	93.8	Very high	93.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-119.6	-21.6	176.9	-63.9	174.8	0	0	0	113	W89 I94 Y100 L101 L102 E110 S111 V114	W89-L104 HydrophobicContact CZ2-CD2 4.13Å; I94-L104 HydrophobicContact CB-CD1 4.4Å; I94-L104 HydrophobicContact CG2-CD1 3.56Å; I94-L104 HydrophobicContact CG2-CD2 4.43Å; Y100-L104 HydrophobicContact CD1-CB 4.44Å; Y100-L104 HydrophobicContact CD1-CD1 3.58Å; Y100-L104 HydrophobicContact CE1-CD1 4.04Å; Y100-L104 HydrophobicContact CG-CB 4.22Å; Y100-L104 HydrophobicContact CG-CD1 4.19Å; L101-L104 PolarHBondContact O-N 2.99Å; L102-L104 PolarHBondContact O-N 3Å; L104-E110 HydrophobicContact CD2-CB 4.39Å; L104-S111 WeakPolarHBondContact O-CB 3.28Å; L104-V114 HydrophobicContact CD2-CB 4.28Å; L104-V114 HydrophobicContact CD2-CG2 3.79Å
105	E	87.8	Confident	94	Very high	48 Å²	48	30.6 Å²	30.6	22%	0.224	15%	0.145	C	C	.	.	H	α-helix	trans	-80	-38.7	-177	-69.3	-165.8	133.2	0	0	113.9	Y23 Y100 L101 G107 R190	Y23-E105 HydrophobicContact CD1-CG 4.46Å; Y23-E105 HydrophobicContact CE1-CB 3.65Å; Y23-E105 HydrophobicContact CE1-CG 3.7Å; Y23-E105 HydrophobicContact CE2-CG 3.86Å; Y23-E105 WeakPolarHBondContact CE2-OE1 3.2Å; Y23-E105 VanDerWaalsContact CZ-CD 3.45Å; Y23-E105 WeakPolarHBondContact OH-CB 3.41Å; Y23-E105 VanDerWaalsContact OH-CG 3.28Å; Y23-E105 WeakPolarHBondContact OH-CG 3.36Å; Y23-E105 PolarHBondContact OH-OE1 3.21Å; Y23-E105 PolarHBondContact OH-OE2 3.09Å; Y100-E105 VanDerWaalsContact O-CD 3.27Å; L101-E105 WeakPolarHBondContact O-CG 3.34Å; L101-E105 PolarHBondContact O-N 3.03Å; E105-G107 PolarHBondContact O-N 3.48Å; E105-R190 PolarHBondContact O-NH2 3.42Å
106	R	85.8	Confident	94.2	Very high	117 Å²	117	26.5 Å²	26.5	44%	0.442	13%	0.126	S	C	.	.	S	Bend	trans	-90.5	4.6	-163.7	-67.4	-174	66.7	156.5	-5.3	115.4	L102 Q277	L102-R106 HydrophobicContact CB-CG 4.16Å; L102-R106 HydrophobicContact CD2-CG 3.82Å; L102-R106 PolarHBondContact O-N 2.96Å; R106-Q277 VanDerWaalsContact O-CG 3.23Å; R106-Q277 WeakPolarHBondContact O-CG 3.36Å; R106-Q277 PolarHBondContact O-NE2 3.36Å
107	G	91.9	Very high	94.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.			trans	77.4	44.6	-178.4	0	0	0	0	0	112.8	E105 S111 M189 L276 Q277	E105-G107 PolarHBondContact O-N 3.48Å; G107-S111 WeakPolarHBondContact CA-OG 3.3Å; G107-M189 VanDerWaalsContact CA-SD 3.56Å; G107-L276 PolarHBondContact O-N 3.33Å; G107-Q277 PolarHBondContact O-N 3.44Å
108	T	96.2	Very high	94.7	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	11%	0.109	C	C	.	.			trans	-76.5	174.5	172.6	62.8	0	0	0	0	111.5	D103 E110 S111 A112 Q277	D103-T108 PolarHBondContact O-OG1 3.36Å; T108-E110 VanDerWaalsContact C-N 3.3Å; T108-E110 WeakPolarHBondContact CB-OE2 3.33Å; T108-E110 PolarHBondContact O-N 3.29Å; T108-E110 PolarHBondContact OG1-N 3.42Å; T108-E110 PolarHBondContact OG1-OE2 1.99Å; T108-S111 PolarHBondContact N-OG 3.44Å; T108-S111 VanDerWaalsContact N-OG 3.11Å; T108-S111 PolarHBondContact O-N 3.16Å; T108-S111 PolarHBondContact O-OG 2.7Å; T108-S111 PolarHBondContact OG1-N 2.83Å; T108-S111 VanDerWaalsContact OG1-N 3.09Å; T108-A112 PolarHBondContact O-N 3.42Å; T108-A112 VanDerWaalsContact O-N 3.09Å; T108-Q277 WeakPolarHBondContact CA-O 3.41Å
109	R	97.1	Very high	95	Very high	60 Å²	60	22.1 Å²	22.1	23%	0.226	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-37.3	172.9	-159.4	-173.4	-78.2	-155.9	-0.6	112.3	A112 F113 Y241 L242 A244 Y275	R109-A112 WeakPolarHBondContact O-CB 3.4Å; R109-A112 PolarHBondContact O-N 2.92Å; R109-F113 PolarHBondContact O-N 2.93Å; R109-F113 VanDerWaalsContact O-N 3.16Å; R109-Y241 HydrophobicContact CB-CD2 4.29Å; R109-Y241 HydrophobicContact CB-CE2 3.77Å; R109-Y241 VanDerWaalsContact CD-O 3.28Å; R109-Y241 WeakPolarHBondContact CD-O 3.32Å; R109-Y241 HydrophobicContact CG-CD2 3.53Å; R109-Y241 HydrophobicContact CG-CE2 3.4Å; R109-Y241 HydrophobicContact CG-CG 4.25Å; R109-Y241 WeakPolarHBondContact O-CD2 3.45Å; R109-Y241 WeakPolarHBondContact O-CE2 3.23Å; R109-L242 PolarHBondContact NH1-O 3.42Å; R109-A244 HydrophobicContact CG-CB 3.88Å; R109-Y275 HydrophobicContact CB-CD1 4.25Å; R109-Y275 HydrophobicContact CB-CG 4.27Å; R109-Y275 HydrophobicContact CG-CD1 4.17Å; R109-Y275 HydrophobicContact CG-CE1 4.49Å; R109-Y275 PolarHBondContact NH2-OH 3.03Å; R109-Y275 VanDerWaalsContact NH2-OH 3.1Å
110	E	97.6	Very high	95.3	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-46.1	177.4	-66.3	65.1	-133	0	0	109.9	W89 L104 T108 A112 F113 V114 Y241 S279 F282	W89-E110 HydrophobicContact CB-CG 4.28Å; W89-E110 HydrophobicContact CD2-CB 4.01Å; W89-E110 HydrophobicContact CD2-CG 3.4Å; W89-E110 VanDerWaalsContact CD2-CG 3.4Å; W89-E110 HydrophobicContact CE3-CB 4.25Å; W89-E110 HydrophobicContact CE3-CG 3.73Å; W89-E110 HydrophobicContact CG-CG 3.67Å; W89-E110 HydrophobicContact CH2-CB 4.02Å; W89-E110 HydrophobicContact CH2-CG 4.4Å; W89-E110 HydrophobicContact CZ2-CB 3.78Å; W89-E110 HydrophobicContact CZ2-CG 4.16Å; W89-E110 HydrophobicContact CZ3-CB 4.25Å; W89-E110 HydrophobicContact CZ3-CG 4.21Å; L104-E110 HydrophobicContact CD2-CB 4.39Å; T108-E110 VanDerWaalsContact C-N 3.3Å; T108-E110 WeakPolarHBondContact CB-OE2 3.33Å; T108-E110 PolarHBondContact O-N 3.29Å; T108-E110 PolarHBondContact OG1-N 3.42Å; T108-E110 PolarHBondContact OG1-OE2 1.99Å; E110-A112 VanDerWaalsContact C-N 3.3Å; E110-A112 PolarHBondContact O-N 3.07Å; E110-F113 PolarHBondContact O-N 3.45Å; E110-V114 WeakPolarHBondContact O-CG2 3.43Å; E110-V114 PolarHBondContact O-N 3.5Å; E110-Y241 HydrophobicContact CG-CE2 4.4Å; E110-Y241 PolarHBondContact OE1-OH 2.94Å; E110-S279 VanDerWaalsContact CD-OG 3.26Å; E110-S279 PolarHBondContact OE1-OG 3.18Å; E110-S279 WeakPolarHBondContact OE2-CB 3.32Å; E110-S279 PolarHBondContact OE2-OG 3.35Å; E110-F282 HydrophobicContact CG-CE2 4.17Å; E110-F282 HydrophobicContact CG-CZ 3.93Å
111	S	96.6	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.9	-42.7	175	81.9	0	0	0	0	111.5	L104 G107 T108 F113 V114 Y115	L104-S111 WeakPolarHBondContact O-CB 3.28Å; G107-S111 WeakPolarHBondContact CA-OG 3.3Å; T108-S111 PolarHBondContact N-OG 3.44Å; T108-S111 VanDerWaalsContact N-OG 3.11Å; T108-S111 PolarHBondContact O-N 3.16Å; T108-S111 PolarHBondContact O-OG 2.7Å; T108-S111 PolarHBondContact OG1-N 2.83Å; T108-S111 VanDerWaalsContact OG1-N 3.09Å; S111-F113 VanDerWaalsContact C-N 3.33Å; S111-F113 PolarHBondContact O-N 3.29Å; S111-V114 PolarHBondContact O-N 3.49Å; S111-V114 VanDerWaalsContact O-N 3.16Å; S111-Y115 VanDerWaalsContact O-CD2 3.25Å; S111-Y115 WeakPolarHBondContact O-CD2 3.48Å; S111-Y115 PolarHBondContact O-N 3.07Å
112	A	98	Very high	96	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.3	-46	179.5	0	0	0	0	0	111.9	T108 R109 E110 A116 N193 V274	T108-A112 PolarHBondContact O-N 3.42Å; T108-A112 VanDerWaalsContact O-N 3.09Å; R109-A112 WeakPolarHBondContact O-CB 3.4Å; R109-A112 PolarHBondContact O-N 2.92Å; E110-A112 VanDerWaalsContact C-N 3.3Å; E110-A112 PolarHBondContact O-N 3.07Å; A112-A116 PolarHBondContact O-N 3.36Å; A112-A116 VanDerWaalsContact O-N 3.13Å; A112-N193 VanDerWaalsContact CA-ND2 3.35Å; A112-N193 WeakPolarHBondContact CA-ND2 3.49Å; A112-N193 WeakPolarHBondContact CB-ND2 3.3Å; A112-V274 WeakPolarHBondContact CB-O 3.31Å
113	F	98.6	Very high	96.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.9	-47.3	175.1	176.9	-90.1	0	0	0	112.1	C80 A83 F84 R109 E110 S111 Y115 A116 L117 L237 K238 Y241	C80-F113 HydrophobicContact CB-CE1 4.33Å; A83-F113 HydrophobicContact CB-CZ 4.13Å; F84-F113 HydrophobicContact CD2-CD1 4.3Å; F84-F113 HydrophobicContact CD2-CE1 4.02Å; F84-F113 HydrophobicContact CD2-CZ 4.31Å; F84-F113 AromaticContact CE2-CD1 3.46Å; F84-F113 HydrophobicContact CE2-CD1 3.46Å; F84-F113 VanDerWaalsContact CE2-CD1 3.46Å; F84-F113 AromaticContact CE2-CD2 3.84Å; F84-F113 HydrophobicContact CE2-CD2 3.84Å; F84-F113 AromaticContact CE2-CE1 3.44Å; F84-F113 HydrophobicContact CE2-CE1 3.44Å; F84-F113 VanDerWaalsContact CE2-CE1 3.44Å; F84-F113 AromaticContact CE2-CE2 3.79Å; F84-F113 HydrophobicContact CE2-CE2 3.79Å; F84-F113 AromaticContact CE2-CG 3.68Å; F84-F113 HydrophobicContact CE2-CG 3.68Å; F84-F113 AromaticContact CE2-CZ 3.61Å; F84-F113 HydrophobicContact CE2-CZ 3.61Å; F84-F113 HydrophobicContact CZ-CB 4.42Å; F84-F113 HydrophobicContact CZ-CD1 4.11Å; F84-F113 HydrophobicContact CZ-CD2 4.1Å; F84-F113 HydrophobicContact CZ-CE1 4.46Å; F84-F113 HydrophobicContact CZ-CE2 4.43Å; F84-F113 AromaticContact CZ-CG 3.93Å; F84-F113 HydrophobicContact CZ-CG 3.93Å; R109-F113 PolarHBondContact O-N 2.93Å; R109-F113 VanDerWaalsContact O-N 3.16Å; E110-F113 PolarHBondContact O-N 3.45Å; S111-F113 VanDerWaalsContact C-N 3.33Å; S111-F113 PolarHBondContact O-N 3.29Å; F113-Y115 VanDerWaalsContact C-N 3.32Å; F113-Y115 PolarHBondContact O-N 3.03Å; F113-A116 PolarHBondContact O-N 3.05Å; F113-L117 HydrophobicContact CD1-CB 4.47Å; F113-L117 HydrophobicContact CE1-CB 4.01Å; F113-L117 HydrophobicContact CE1-CD2 3.56Å; F113-L117 HydrophobicContact CE1-CG 4.37Å; F113-L117 HydrophobicContact CZ-CB 4.22Å; F113-L117 HydrophobicContact CZ-CD2 3.88Å; F113-L117 HydrophobicContact CZ-CG 4.5Å; F113-L117 WeakPolarHBondContact O-CB 3.12Å; F113-L117 PolarHBondContact O-N 3.45Å; F113-L237 HydrophobicContact CD2-CB 4.01Å; F113-L237 HydrophobicContact CE2-CB 3.59Å; F113-K238 HydrophobicContact CE2-CB 4.31Å; F113-Y241 HydrophobicContact CB-CD2 3.82Å; F113-Y241 HydrophobicContact CB-CG 4.44Å
114	V	98.4	Very high	96.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.1	-39	-177.8	177.7	0	0	0	0	111.5	I25 L28 W89 I94 L104 E110 S111 S118	I25-V114 HydrophobicContact CD1-CB 4.27Å; I25-V114 HydrophobicContact CD1-CG1 3.55Å; I25-V114 HydrophobicContact CG2-CG1 4.5Å; L28-V114 HydrophobicContact CD1-CG1 3.95Å; W89-V114 HydrophobicContact CH2-CG2 3.81Å; W89-V114 HydrophobicContact CZ2-CG2 4.26Å; I94-V114 HydrophobicContact CG2-CG1 3.97Å; I94-V114 HydrophobicContact CG2-CG2 3.72Å; L104-V114 HydrophobicContact CD2-CB 4.28Å; L104-V114 HydrophobicContact CD2-CG2 3.79Å; E110-V114 WeakPolarHBondContact O-CG2 3.43Å; E110-V114 PolarHBondContact O-N 3.5Å; S111-V114 PolarHBondContact O-N 3.49Å; S111-V114 VanDerWaalsContact O-N 3.16Å; V114-S118 WeakPolarHBondContact O-CB 3.2Å; V114-S118 PolarHBondContact O-N 3.01Å; V114-S118 PolarHBondContact O-OG 3.02Å
115	Y	98.3	Very high	96.8	Very high	3 Å²	3	12.3 Å²	12.3	1%	0.012	5%	0.053	C	C	.	.	H	α-helix	trans	-62.1	-47	173.6	-87.5	-83.4	0	0	0	112	G24 I25 S111 F113 S118 A119 R190	G24-Y115 PolarHBondContact N-OH 2.89Å; I25-Y115 HydrophobicContact CB-CE1 4.44Å; I25-Y115 HydrophobicContact CD1-CD2 4.4Å; I25-Y115 HydrophobicContact CD1-CE2 3.98Å; I25-Y115 HydrophobicContact CG1-CE1 4.37Å; I25-Y115 HydrophobicContact CG1-CE2 3.97Å; I25-Y115 HydrophobicContact CG2-CD1 3.68Å; I25-Y115 HydrophobicContact CG2-CD2 4.32Å; I25-Y115 HydrophobicContact CG2-CE1 3.65Å; I25-Y115 HydrophobicContact CG2-CE2 4.28Å; I25-Y115 HydrophobicContact CG2-CG 4Å; S111-Y115 VanDerWaalsContact O-CD2 3.25Å; S111-Y115 WeakPolarHBondContact O-CD2 3.48Å; S111-Y115 PolarHBondContact O-N 3.07Å; F113-Y115 VanDerWaalsContact C-N 3.32Å; F113-Y115 PolarHBondContact O-N 3.03Å; Y115-S118 PolarHBondContact O-N 3.17Å; Y115-A119 WeakPolarHBondContact O-CB 3.38Å; Y115-A119 PolarHBondContact O-N 3.25Å; Y115-R190 HydrophobicContact CD1-CB 3.86Å; Y115-R190 HydrophobicContact CD1-CG 4.03Å; Y115-R190 HydrophobicContact CD2-CG 3.92Å; Y115-R190 HydrophobicContact CE1-CB 3.74Å; Y115-R190 HydrophobicContact CE1-CG 3.66Å; Y115-R190 HydrophobicContact CE2-CB 4.46Å; Y115-R190 HydrophobicContact CE2-CG 3.58Å; Y115-R190 HydrophobicContact CG-CB 4.28Å; Y115-R190 HydrophobicContact CG-CG 4.17Å; Y115-R190 VanDerWaalsContact CZ-CD 3.41Å; Y115-R190 VanDerWaalsContact CZ-CG 3.44Å; Y115-R190 VanDerWaalsContact OH-CD 3.29Å; Y115-R190 WeakPolarHBondContact OH-CD 3.37Å; Y115-R190 PolarHBondContact OH-NE 3.48Å
116	A	98.8	Very high	97.3	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.5	-49.6	178.5	0	0	0	0	0	112.1	A112 F113 S118 A119 A120 N193 G197 L237 L273	A112-A116 PolarHBondContact O-N 3.36Å; A112-A116 VanDerWaalsContact O-N 3.13Å; F113-A116 PolarHBondContact O-N 3.05Å; A116-S118 VanDerWaalsContact C-N 3.34Å; A116-S118 PolarHBondContact O-N 3.16Å; A116-A119 PolarHBondContact O-N 3.21Å; A116-A120 WeakPolarHBondContact O-CB 3.35Å; A116-A120 PolarHBondContact O-N 2.68Å; A116-N193 VanDerWaalsContact CA-O 3.22Å; A116-N193 WeakPolarHBondContact CA-O 3.36Å; A116-N193 WeakPolarHBondContact CB-O 3.35Å; A116-G197 WeakPolarHBondContact O-CA 3.15Å; A116-L237 HydrophobicContact CB-CD1 4.15Å; A116-L237 HydrophobicContact CB-CD2 4.06Å; A116-L273 HydrophobicContact CB-CD2 3.65Å
117	L	98.9	Very high	97.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62.4	-41.9	178.3	179.2	62.8	0	0	0	111.3	V76 A79 C80 F113 A119 A120 A121 L230 A234 L237	V76-L117 HydrophobicContact CG1-CD2 4.32Å; V76-L117 HydrophobicContact CG1-CG 4.45Å; A79-L117 HydrophobicContact CB-CD1 4.34Å; A79-L117 HydrophobicContact CB-CD2 4.15Å; C80-L117 HydrophobicContact CB-CD2 3.74Å; F113-L117 HydrophobicContact CD1-CB 4.47Å; F113-L117 HydrophobicContact CE1-CB 4.01Å; F113-L117 HydrophobicContact CE1-CD2 3.56Å; F113-L117 HydrophobicContact CE1-CG 4.37Å; F113-L117 HydrophobicContact CZ-CB 4.22Å; F113-L117 HydrophobicContact CZ-CD2 3.88Å; F113-L117 HydrophobicContact CZ-CG 4.5Å; F113-L117 WeakPolarHBondContact O-CB 3.12Å; F113-L117 PolarHBondContact O-N 3.45Å; L117-A119 PolarHBondContact O-N 3.06Å; L117-A120 PolarHBondContact O-N 2.73Å; L117-A121 WeakPolarHBondContact O-CB 3.33Å; L117-A121 PolarHBondContact O-N 3.07Å; L117-L230 HydrophobicContact CD1-CD1 4.23Å; L117-L230 HydrophobicContact CD1-CG 4.5Å; L117-A234 HydrophobicContact CD1-CB 3.82Å; L117-L237 HydrophobicContact CB-CD1 4.2Å; L117-L237 HydrophobicContact CD1-CD1 4.4Å
118	S	98.6	Very high	98.2	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.014	4%	0.037	C	C	.	.	H	α-helix	trans	-62.4	-43.7	178.6	-63	0	0	0	0	112.1	V114 Y115 A116 I122	V114-S118 WeakPolarHBondContact O-CB 3.2Å; V114-S118 PolarHBondContact O-N 3.01Å; V114-S118 PolarHBondContact O-OG 3.02Å; Y115-S118 PolarHBondContact O-N 3.17Å; A116-S118 VanDerWaalsContact C-N 3.34Å; A116-S118 PolarHBondContact O-N 3.16Å; S118-I122 WeakPolarHBondContact O-CG2 3.35Å; S118-I122 PolarHBondContact O-N 2.96Å; S118-I122 VanDerWaalsContact O-N 3.14Å
119	A	98.6	Very high	98.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.9	-39	178.5	0	0	0	0	0	112.1	Y115 A116 L117 I122 S123 S194 R198	Y115-A119 WeakPolarHBondContact O-CB 3.38Å; Y115-A119 PolarHBondContact O-N 3.25Å; A116-A119 PolarHBondContact O-N 3.21Å; L117-A119 PolarHBondContact O-N 3.06Å; A119-I122 WeakPolarHBondContact O-CG2 3.44Å; A119-S123 PolarHBondContact O-N 3.27Å; A119-S123 PolarHBondContact O-OG 3.05Å; A119-S194 VanDerWaalsContact CB-O 3.29Å; A119-S194 WeakPolarHBondContact CB-O 3.4Å; A119-R198 HydrophobicContact CB-CG 4.32Å
120	A	98.8	Very high	98.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.2	-48.1	173.7	0	0	0	0	0	111.5	A116 L117 S123 H124 G197 L201 V233 L237	A116-A120 WeakPolarHBondContact O-CB 3.35Å; A116-A120 PolarHBondContact O-N 2.68Å; L117-A120 PolarHBondContact O-N 2.73Å; A120-S123 PolarHBondContact O-N 2.72Å; A120-H124 VanDerWaalsContact O-CB 3.23Å; A120-H124 WeakPolarHBondContact O-CB 3.44Å; A120-H124 PolarHBondContact O-N 2.89Å; A120-G197 WeakPolarHBondContact CB-O 3.27Å; A120-L201 HydrophobicContact CB-CB 4.39Å; A120-V233 HydrophobicContact CB-CG1 4.16Å; A120-L237 HydrophobicContact CB-CD1 4.39Å
121	A	98.8	Very high	98.2	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-65.4	-42.9	-174.4	0	0	0	0	0	113.2	V76 L117 S123 H124 A125 L230	V76-A121 HydrophobicContact CG2-CB 3.32Å; L117-A121 WeakPolarHBondContact O-CB 3.33Å; L117-A121 PolarHBondContact O-N 3.07Å; A121-S123 VanDerWaalsContact C-N 3.34Å; A121-S123 PolarHBondContact O-N 2.71Å; A121-H124 PolarHBondContact O-N 3.13Å; A121-A125 WeakPolarHBondContact O-CB 3.39Å; A121-A125 PolarHBondContact O-N 3.13Å; A121-L230 HydrophobicContact CB-CD1 3.91Å; A121-L230 HydrophobicContact CB-CD2 3.7Å; A121-L230 HydrophobicContact CB-CG 4.46Å
122	I	98.6	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.9	-40.8	176.9	-167.1	171.6	0	0	0	111.2	W27 V69 A72 S118 A119 I126 F171	W27-I122 HydrophobicContact CH2-CB 4.08Å; W27-I122 HydrophobicContact CH2-CD1 4.31Å; W27-I122 HydrophobicContact CZ2-CB 4.29Å; W27-I122 HydrophobicContact CZ2-CD1 4.43Å; V69-I122 HydrophobicContact CG1-CD1 4.18Å; V69-I122 HydrophobicContact CG2-CD1 4.21Å; A72-I122 HydrophobicContact CB-CB 4.34Å; A72-I122 HydrophobicContact CB-CG1 4.42Å; S118-I122 WeakPolarHBondContact O-CG2 3.35Å; S118-I122 PolarHBondContact O-N 2.96Å; S118-I122 VanDerWaalsContact O-N 3.14Å; A119-I122 WeakPolarHBondContact O-CG2 3.44Å; I122-I126 HydrophobicContact CG1-CD1 3.9Å; I122-I126 WeakPolarHBondContact O-CB 3.41Å; I122-I126 WeakPolarHBondContact O-CD1 3.35Å; I122-I126 WeakPolarHBondContact O-CG1 3.29Å; I122-I126 PolarHBondContact O-N 2.96Å; I122-I126 VanDerWaalsContact O-N 3.1Å; I122-F171 HydrophobicContact CD1-CB 3.96Å; I122-F171 HydrophobicContact CD1-CD1 3.33Å; I122-F171 HydrophobicContact CD1-CE1 4.08Å; I122-F171 HydrophobicContact CD1-CG 3.88Å
123	S	98.8	Very high	98	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68	-38	176.2	-72.8	0	0	0	0	112.7	A119 A120 A121 A127 G164 L165 L201	A119-S123 PolarHBondContact O-N 3.27Å; A119-S123 PolarHBondContact O-OG 3.05Å; A120-S123 PolarHBondContact O-N 2.72Å; A121-S123 VanDerWaalsContact C-N 3.34Å; A121-S123 PolarHBondContact O-N 2.71Å; S123-A127 VanDerWaalsContact O-CB 3.27Å; S123-A127 WeakPolarHBondContact O-CB 3.34Å; S123-A127 PolarHBondContact O-N 2.75Å; S123-G164 VanDerWaalsContact CA-O 3.3Å; S123-G164 WeakPolarHBondContact CA-O 2.99Å; S123-G164 WeakPolarHBondContact CB-O 2.95Å; S123-G164 WeakPolarHBondContact O-CA 3.43Å; S123-G164 PolarHBondContact OG-O 3.4Å; S123-L165 WeakPolarHBondContact OG-CA 3.34Å; S123-L201 VanDerWaalsContact CB-CD2 3.48Å
124	H	98.7	Very high	97.8	Very high	11 Å²	11	19.7 Å²	19.7	5%	0.051	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-50.3	175.3	180	-90.5	0	0	0	111.7	A120 A121 I126 A127 R128 L201 Q228 L230	A120-H124 VanDerWaalsContact O-CB 3.23Å; A120-H124 WeakPolarHBondContact O-CB 3.44Å; A120-H124 PolarHBondContact O-N 2.89Å; A121-H124 PolarHBondContact O-N 3.13Å; H124-I126 PolarHBondContact O-N 3.07Å; H124-A127 PolarHBondContact O-N 3.07Å; H124-R128 WeakPolarHBondContact CE1-CD 3.5Å; H124-R128 PolarHBondContact O-N 3.3Å; H124-L201 HydrophobicContact CB-CD1 3.77Å; H124-L201 HydrophobicContact CB-CD2 4.29Å; H124-Q228 PolarHBondContact NE2-O 3.14Å; H124-L230 HydrophobicContact CB-CD1 4.45Å
125	A	98.6	Very high	97.6	Very high	12 Å²	12	19.9 Å²	19.9	10%	0.099	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-44.5	179.8	0	0	0	0	0	111.9	T68 A72 A121 R128 A129	T68-A125 HydrophobicContact CG2-CB 3.94Å; A72-A125 HydrophobicContact CB-CB 3.75Å; A121-A125 WeakPolarHBondContact O-CB 3.39Å; A121-A125 PolarHBondContact O-N 3.13Å; A125-R128 PolarHBondContact O-N 3.24Å; A125-A129 VanDerWaalsContact O-CB 3.29Å; A125-A129 WeakPolarHBondContact O-CB 3.03Å; A125-A129 PolarHBondContact O-N 2.87Å
126	I	98.5	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-45	177.5	-64.8	167.9	0	0	0	111	L65 T68 I122 H124 R128 A129 C130 L135 Y163 M167	L65-I126 HydrophobicContact CD1-CD1 3.87Å; L65-I126 HydrophobicContact CD1-CG1 3.78Å; L65-I126 HydrophobicContact CD1-CG2 4.26Å; T68-I126 HydrophobicContact CG2-CG1 3.96Å; I122-I126 HydrophobicContact CG1-CD1 3.9Å; I122-I126 WeakPolarHBondContact O-CB 3.41Å; I122-I126 WeakPolarHBondContact O-CD1 3.35Å; I122-I126 WeakPolarHBondContact O-CG1 3.29Å; I122-I126 PolarHBondContact O-N 2.96Å; I122-I126 VanDerWaalsContact O-N 3.1Å; H124-I126 PolarHBondContact O-N 3.07Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.48Å; I126-A129 PolarHBondContact O-N 3.31Å; I126-C130 PolarHBondContact O-N 2.82Å; I126-C130 PolarHBondContact O-SG 3.18Å; I126-L135 HydrophobicContact CG2-CD2 4.03Å; I126-Y163 HydrophobicContact CG2-CD1 3.74Å; I126-Y163 HydrophobicContact CG2-CE1 3.82Å; I126-M167 HydrophobicContact CD1-CB 4Å; I126-M167 HydrophobicContact CG2-CB 4.28Å
127	A	98.3	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-42.4	179.5	0	0	0	0	0	112.3	S123 H124 C130 T131 N160 L227	S123-A127 VanDerWaalsContact O-CB 3.27Å; S123-A127 WeakPolarHBondContact O-CB 3.34Å; S123-A127 PolarHBondContact O-N 2.75Å; H124-A127 PolarHBondContact O-N 3.07Å; A127-C130 WeakPolarHBondContact O-CB 3.41Å; A127-T131 PolarHBondContact O-OG1 3.27Å; A127-N160 WeakPolarHBondContact CB-O 3.48Å; A127-N160 PolarHBondContact O-N 3.13Å; A127-L227 HydrophobicContact CB-CD1 3.8Å
128	R	97.8	Very high	96.8	Very high	88 Å²	88	27.5 Å²	27.5	33%	0.332	18%	0.182	S	C	.	.	H	α-helix	trans	-72.4	-34.8	177.5	-70.1	-172.1	72	167	5.9	112.8	H124 A125 I126 C130 T131 S132 E229	H124-R128 WeakPolarHBondContact CE1-CD 3.5Å; H124-R128 PolarHBondContact O-N 3.3Å; A125-R128 PolarHBondContact O-N 3.24Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.48Å; R128-C130 VanDerWaalsContact C-N 3.26Å; R128-C130 PolarHBondContact O-N 3.38Å; R128-T131 WeakPolarHBondContact O-CA 3.37Å; R128-T131 WeakPolarHBondContact O-CB 3.28Å; R128-T131 PolarHBondContact O-N 3.08Å; R128-S132 PolarHBondContact O-N 3.33Å; R128-S132 PolarHBondContact O-OG 3.04Å; R128-E229 IonicContact CZ-OE1 3.55Å; R128-E229 VanDerWaalsContact NH1-CD 3.31Å; R128-E229 IonicContact NH1-OE1 3.74Å; R128-E229 PolarHBondContact NH1-OE1 3.5Å; R128-E229 IonicContact NH1-OE2 3.65Å; R128-E229 PolarHBondContact NH1-OE2 2.89Å; R128-E229 IonicContact NH2-OE1 2.91Å
129	A	97.9	Very high	96.6	Very high	6 Å²	6	31.1 Å²	31.1	5%	0.05	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-32.6	176.3	0	0	0	0	0	112.5	T68 A125 I126 T131 S132 G133 D134 L135	T68-A129 HydrophobicContact CG2-CB 3.88Å; A125-A129 VanDerWaalsContact O-CB 3.29Å; A125-A129 WeakPolarHBondContact O-CB 3.03Å; A125-A129 PolarHBondContact O-N 2.87Å; I126-A129 PolarHBondContact O-N 3.31Å; A129-T131 PolarHBondContact O-N 3.37Å; A129-S132 WeakPolarHBondContact CA-OG 3.34Å; A129-S132 PolarHBondContact O-OG 2.79Å; A129-G133 PolarHBondContact O-N 3.13Å; A129-G133 VanDerWaalsContact O-N 3.17Å; A129-D134 HydrophobicContact CB-CB 4.31Å; A129-D134 PolarHBondContact O-N 3.46Å; A129-L135 HydrophobicContact CB-CB 3.94Å; A129-L135 PolarHBondContact O-N 2.97Å
130	C	97.4	Very high	96.5	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-33.6	170.8	-61	0	0	0	0	112.6	I126 A127 R128 C138 N160 Y163	I126-C130 PolarHBondContact O-N 2.82Å; I126-C130 PolarHBondContact O-SG 3.18Å; A127-C130 WeakPolarHBondContact O-CB 3.41Å; R128-C130 VanDerWaalsContact C-N 3.26Å; R128-C130 PolarHBondContact O-N 3.38Å; C130-C138 WeakPolarHBondContact CA-SG 3.44Å; C130-C138 HydrophobicContact CB-CB 3.85Å; C130-C138 WeakPolarHBondContact CB-SG 3.39Å; C130-C138 WeakPolarHBondContact SG-CB 3.25Å; C130-C138 CovalentContact SG-SG 2.02Å; C130-C138 PolarHBondContact SG-SG 3.13Å; C130-N160 HydrophobicContact CB-CB 3.85Å; C130-Y163 VanDerWaalsContact SG-CD1 3.51Å
131	T	95.6	Very high	96.3	Very high	35 Å²	35	34.1 Å²	34.1	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-86.3	-32.3	-174.5	-63	0	0	0	0	112.8	A127 R128 A129 G133 C157 A158 D159	A127-T131 PolarHBondContact O-OG1 3.27Å; R128-T131 WeakPolarHBondContact O-CA 3.37Å; R128-T131 WeakPolarHBondContact O-CB 3.28Å; R128-T131 PolarHBondContact O-N 3.08Å; A129-T131 PolarHBondContact O-N 3.37Å; T131-G133 VanDerWaalsContact C-N 3.3Å; T131-C157 HydrophobicContact CG2-CB 3.99Å; T131-C157 VanDerWaalsContact CG2-O 3.23Å; T131-C157 WeakPolarHBondContact CG2-O 3.33Å; T131-A158 PolarHBondContact OG1-O 3.31Å; T131-D159 VanDerWaalsContact OG1-CA 3.23Å; T131-D159 WeakPolarHBondContact OG1-CA 3.49Å
132	S	95.3	Very high	96	Very high	72 Å²	72	39 Å²	39	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-76.4	-17.8	170.6	55.6	0	0	0	0	113.2	R128 A129 D134	R128-S132 PolarHBondContact O-N 3.33Å; R128-S132 PolarHBondContact O-OG 3.04Å; A129-S132 WeakPolarHBondContact CA-OG 3.34Å; A129-S132 PolarHBondContact O-OG 2.79Å; S132-D134 VanDerWaalsContact C-N 3.33Å; S132-D134 WeakPolarHBondContact CB-OD2 3.4Å; S132-D134 PolarHBondContact OG-OD2 2.93Å
133	G	94.8	Very high	95.6	Very high	56 Å²	56	43.7 Å²	43.7	58%	0.577	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	9.2	-174	0	0	0	0	0	113.7	A129 T131 L135	A129-G133 PolarHBondContact O-N 3.13Å; A129-G133 VanDerWaalsContact O-N 3.17Å; T131-G133 VanDerWaalsContact C-N 3.3Å; G133-L135 PolarHBondContact O-N 3.44Å
134	D	94.4	Very high	95.2	Very high	121 Å²	121	45 Å²	45	65%	0.647	30%	0.298	S	S	*	.	S	Bend	trans	-70.9	-19.9	177.2	-64	-39.7	0	0	0	112.4	A129 S132	A129-D134 HydrophobicContact CB-CB 4.31Å; A129-D134 PolarHBondContact O-N 3.46Å; S132-D134 VanDerWaalsContact C-N 3.33Å; S132-D134 WeakPolarHBondContact CB-OD2 3.4Å; S132-D134 PolarHBondContact OG-OD2 2.93Å
135	L	95.1	Very high	94.7	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	34%	0.338	C	S	.	.			trans	-117.2	104	177	-173.9	61.2	0	0	0	110.1	E64 L65 I126 A129 G133 G137 C138 Y163	E64-L135 HydrophobicContact CB-CD1 4.33Å; L65-L135 HydrophobicContact CB-CD1 4.3Å; L65-L135 HydrophobicContact CD1-CD1 4.3Å; L65-L135 HydrophobicContact CD1-CD2 3.72Å; I126-L135 HydrophobicContact CG2-CD2 4.03Å; A129-L135 HydrophobicContact CB-CB 3.94Å; A129-L135 PolarHBondContact O-N 2.97Å; G133-L135 PolarHBondContact O-N 3.44Å; L135-G137 VanDerWaalsContact C-N 3.25Å; L135-G137 PolarHBondContact O-N 2.97Å; L135-C138 PolarHBondContact O-SG 3.44Å; L135-Y163 HydrophobicContact CD2-CE1 3.91Å
136	P	90.8	Very high	94.3	Very high	87 Å²	87	53.3 Å²	53.3	57%	0.565	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.1	-173.4	29.7	-37.3	0	0	0	113.6	E64 C138	E64-P136 VanDerWaalsContact CD-CG 3.42Å; E64-P136 WeakPolarHBondContact OE1-CG 3.35Å; E64-P136 WeakPolarHBondContact OE2-CG 3.35Å; P136-C138 PolarHBondContact O-N 3.44Å
137	G	90.7	Very high	93.8	Very high	50 Å²	50	58.8 Å²	58.8	52%	0.515	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	9.2	179.6	0	0	0	0	0	115.6	L135 Y163	L135-G137 VanDerWaalsContact C-N 3.25Å; L135-G137 PolarHBondContact O-N 2.97Å; G137-Y163 PolarHBondContact O-OH 2.01Å
138	C	95.9	Very high	93.2	Very high	25 Å²	25	60.7 Å²	60.7	17%	0.169	41%	0.406	C	S	.	.			trans	-149.9	164.3	178.1	52.5	0	0	0	0	112.5	C130 L135 P136 Y163	C130-C138 WeakPolarHBondContact CA-SG 3.44Å; C130-C138 HydrophobicContact CB-CB 3.85Å; C130-C138 WeakPolarHBondContact CB-SG 3.39Å; C130-C138 WeakPolarHBondContact SG-CB 3.25Å; C130-C138 CovalentContact SG-SG 2.02Å; C130-C138 PolarHBondContact SG-SG 3.13Å; L135-C138 PolarHBondContact O-SG 3.44Å; P136-C138 PolarHBondContact O-N 3.44Å; C138-Y163 HydrophobicContact CB-CD1 3.71Å; C138-Y163 HydrophobicContact CB-CD2 4.05Å; C138-Y163 HydrophobicContact CB-CE1 3.67Å; C138-Y163 HydrophobicContact CB-CE2 3.99Å; C138-Y163 HydrophobicContact CB-CG 3.9Å
139	S	95.9	Very high	92.6	Very high	79 Å²	79	58 Å²	58	55%	0.552	41%	0.405	S	S	*	.			trans	-115.5	176.5	178.9	58	0	0	0	0	111.6	N160	S139-N160 VanDerWaalsContact O-CB 3.28Å; S139-N160 WeakPolarHBondContact O-CB 3.36Å; S139-N160 PolarHBondContact O-ND2 3.18Å
140	C	96	Very high	91.9	Very high	55 Å²	55	64.3 Å²	64.3	37%	0.372	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-52.9	152.1	169.5	-55.4	0	0	0	0	112.1	C157	C140-C157 HydrophobicContact CB-CB 4.05Å; C140-C157 WeakPolarHBondContact CB-SG 3.33Å; C140-C157 WeakPolarHBondContact SG-CB 3.33Å; C140-C157 CovalentContact SG-SG 2.02Å; C140-C157 PolarHBondContact SG-SG 3.07Å
141	G	94.5	Very high	91.2	Very high	8 Å²	8	66.7 Å²	66.7	8%	0.082	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-61.4	157.9	172.1	0	0	0	0	0	112.7	A158	G141-A158 PolarHBondContact N-O 3.33Å
142	P	92.1	Very high	90.9	Very high	102 Å²	102	66.4 Å²	66.4	66%	0.662	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-64.5	145.2	-179.1	27.9	-34.7	0	0	0	111.6
143	V	90.9	Very high	90.7	Very high	99 Å²	99	70.9 Å²	70.9	60%	0.6	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-69.3	133.7	170.7	-178.9	0	0	0	0	108.8	W154	V143-W154 HydrophobicContact CG1-CB 3.62Å; V143-W154 HydrophobicContact CG1-CD2 4.49Å; V143-W154 HydrophobicContact CG1-CG 3.8Å
144	P	90.3	Very high	90.6	Very high	29 Å²	29	70.4 Å²	70.4	19%	0.188	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-58.4	140	176.7	-26.1	37	0	0	0	112.1	E146 W154 K225	P144-E146 VanDerWaalsContact C-N 3.34Å; P144-E146 HydrophobicContact CB-CG 4.03Å; P144-W154 HydrophobicContact CB-CH2 4.05Å; P144-W154 HydrophobicContact CB-CZ2 3.63Å; P144-W154 HydrophobicContact CG-CD2 4.23Å; P144-W154 HydrophobicContact CG-CE3 4.1Å; P144-W154 HydrophobicContact CG-CH2 3.63Å; P144-W154 HydrophobicContact CG-CZ2 3.73Å; P144-W154 HydrophobicContact CG-CZ3 3.82Å; P144-K225 HydrophobicContact CG-CG 3.72Å
145	G	88.2	Confident	90.5	Very high	88 Å²	88	65.8 Å²	65.8	91%	0.907	44%	0.435	S	S	*	.	S	Bend	trans	-76.5	-19.9	177.8	0	0	0	0	0	114
146	E	89.8	Confident	90.2	Very high	109 Å²	109	68.5 Å²	68.5	51%	0.509	47%	0.465	S	S	.	.	S	Bend	trans	-69.5	141.7	173.7	64	-169.6	-177	0	0	110.7	P144 W154 K225	P144-E146 VanDerWaalsContact C-N 3.34Å; P144-E146 HydrophobicContact CB-CG 4.03Å; E146-W154 HydrophobicContact CG-CZ2 4.12Å; E146-W154 PolarHBondContact O-NE1 2.97Å; E146-K225 IonicContact OE1-NZ 3.38Å
147	P	87.1	Confident	90.4	Very high	115 Å²	115	66 Å²	66	75%	0.747	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-63.5	142.3	175.4	27	-33.2	0	0	0	109.9
148	P	86.5	Confident	90.6	Very high	40 Å²	40	64.1 Å²	64.1	26%	0.26	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-65.3	146.7	175.3	31.1	-33.5	0	0	0	109.1	N152 W154	P148-N152 HydrophobicContact CB-CB 3.88Å; P148-N152 WeakPolarHBondContact CB-O 3.32Å; P148-N152 WeakPolarHBondContact CG-O 3.39Å; P148-W154 HydrophobicContact CB-CD2 4.15Å; P148-W154 HydrophobicContact CB-CG 4.2Å; P148-W154 HydrophobicContact CB-CZ2 4.41Å; P148-W154 HydrophobicContact CG-CG 4.33Å
149	G	84.9	Confident	90.7	Very high	31 Å²	31	63.8 Å²	63.8	32%	0.32	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-56.5	166.3	178.3	0	0	0	0	0	113.4	G151 N152	G149-G151 PolarHBondContact O-N 3.44Å; G149-N152 VanDerWaalsContact O-CB 3.24Å; G149-N152 WeakPolarHBondContact O-CB 3.02Å; G149-N152 PolarHBondContact O-N 3.43Å
150	P	84.4	Confident	90.8	Very high	139 Å²	139	60.7 Å²	60.7	90%	0.903	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	128.1	-174	-25.6	33.2	0	0	0	113.2	N152	P150-N152 VanDerWaalsContact C-N 3.26Å; P150-N152 PolarHBondContact O-N 2.92Å
151	G	82.8	Confident	90.8	Very high	55 Å²	55	59 Å²	59	57%	0.567	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-0.9	-179	0	0	0	0	0	115.6	G149	G149-G151 PolarHBondContact O-N 3.44Å
152	N	88.9	Confident	91	Very high	29 Å²	29	62.4 Å²	62.4	16%	0.155	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.1	176.9	-55.4	-19.2	0	0	0	110.2	P148 G149 P150 R221	P148-N152 HydrophobicContact CB-CB 3.88Å; P148-N152 WeakPolarHBondContact CB-O 3.32Å; P148-N152 WeakPolarHBondContact CG-O 3.39Å; G149-N152 VanDerWaalsContact O-CB 3.24Å; G149-N152 WeakPolarHBondContact O-CB 3.02Å; G149-N152 PolarHBondContact O-N 3.43Å; P150-N152 VanDerWaalsContact C-N 3.26Å; P150-N152 PolarHBondContact O-N 2.92Å; N152-R221 HydrophobicContact CB-CG 4.17Å; N152-R221 WeakPolarHBondContact OD1-CD 3.14Å; N152-R221 WeakPolarHBondContact OD1-CG 3.14Å; N152-R221 PolarHBondContact OD1-NE 3.02Å; N152-R221 VanDerWaalsContact OD1-NE 3.12Å
153	R	90.9	Very high	91.2	Very high	166 Å²	166	60 Å²	60	63%	0.626	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	139	167.3	-62.1	-165.7	-175	170.1	-1.4	109.3	I220 R221 T222 C223	R153-I220 HydrophobicContact CG-CD1 4.34Å; R153-I220 HydrophobicContact CG-CG1 4.5Å; R153-I220 VanDerWaalsContact CZ-CD1 3.41Å; R153-R221 PolarHBondContact N-O 3.39Å; R153-T222 CarbonylContact O-C 3.55Å; R153-T222 WeakPolarHBondContact O-CA 3.08Å; R153-C223 PolarHBondContact O-N 3.39Å
154	W	93.3	Very high	91.6	Very high	47 Å²	47	55.2 Å²	55.2	18%	0.178	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	138.6	167.5	-68	126.5	0	0	0	110	V143 P144 E146 P148 M207 C223	V143-W154 HydrophobicContact CG1-CB 3.62Å; V143-W154 HydrophobicContact CG1-CD2 4.49Å; V143-W154 HydrophobicContact CG1-CG 3.8Å; P144-W154 HydrophobicContact CB-CH2 4.05Å; P144-W154 HydrophobicContact CB-CZ2 3.63Å; P144-W154 HydrophobicContact CG-CD2 4.23Å; P144-W154 HydrophobicContact CG-CE3 4.1Å; P144-W154 HydrophobicContact CG-CH2 3.63Å; P144-W154 HydrophobicContact CG-CZ2 3.73Å; P144-W154 HydrophobicContact CG-CZ3 3.82Å; E146-W154 HydrophobicContact CG-CZ2 4.12Å; E146-W154 PolarHBondContact O-NE1 2.97Å; P148-W154 HydrophobicContact CB-CD2 4.15Å; P148-W154 HydrophobicContact CB-CG 4.2Å; P148-W154 HydrophobicContact CB-CZ2 4.41Å; P148-W154 HydrophobicContact CG-CG 4.33Å; W154-M207 HydrophobicContact CH2-CE 3.81Å; W154-M207 HydrophobicContact CZ3-CE 4.48Å; W154-M207 HydrophobicContact CZ3-CG 4.43Å; W154-C223 WeakPolarHBondContact CA-O 3.41Å; W154-C223 HydrophobicContact CE3-CB 4.41Å; W154-C223 HydrophobicContact CZ3-CB 4.34Å
155	G	90.8	Very high	92	Very high	23 Å²	23	54.8 Å²	54.8	24%	0.237	36%	0.357	C	S	.	.			trans	174.2	-175.8	173.8	0	0	0	0	0	111.3	T222 C223 W224	G155-T222 VanDerWaalsContact C-CG2 3.47Å; G155-T222 VanDerWaalsContact CA-CG2 3.47Å; G155-C223 PolarHBondContact N-O 2.82Å; G155-C223 CarbonylContact O-C 3.52Å; G155-W224 WeakPolarHBondContact O-CB 3.34Å
156	G	90.3	Very high	92.4	Very high	63 Å²	63	56 Å²	56	65%	0.649	34%	0.343	S	S	*	.	S	Bend	trans	76.9	-170.5	-170.2	0	0	0	0	0	112.3
157	C	93.9	Very high	92.8	Very high	35 Å²	35	51.6 Å²	51.6	24%	0.236	32%	0.322	C	S	.	.			trans	-110.8	110.6	-179.1	-173.8	0	0	0	0	108.6	T131 C140	T131-C157 HydrophobicContact CG2-CB 3.99Å; T131-C157 VanDerWaalsContact CG2-O 3.23Å; T131-C157 WeakPolarHBondContact CG2-O 3.33Å; C140-C157 HydrophobicContact CB-CB 4.05Å; C140-C157 WeakPolarHBondContact CB-SG 3.33Å; C140-C157 WeakPolarHBondContact SG-CB 3.33Å; C140-C157 CovalentContact SG-SG 2.02Å; C140-C157 PolarHBondContact SG-SG 3.07Å
158	A	96.1	Very high	93.3	Very high	9 Å²	9	46.1 Å²	46.1	7%	0.074	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-74.2	153.5	176.7	0	0	0	0	0	111	T131 G141 N160 W224 K225	T131-A158 PolarHBondContact OG1-O 3.31Å; G141-A158 PolarHBondContact N-O 3.33Å; A158-N160 PolarHBondContact O-N 2.96Å; A158-W224 HydrophobicContact CB-CB 4.29Å; A158-K225 VanDerWaalsContact CA-O 3.29Å; A158-K225 WeakPolarHBondContact CA-O 3.35Å; A158-K225 VanDerWaalsContact CB-O 3.27Å; A158-K225 WeakPolarHBondContact CB-O 3.48Å
159	D	96.8	Very high	93.8	Very high	18 Å²	18	45.2 Å²	45.2	10%	0.096	28%	0.282	C	S	.	.			trans	-64.1	128.4	172.2	-71.3	-34.6	0	0	0	110.4	T131 L161 K225 G226 L227	T131-D159 VanDerWaalsContact OG1-CA 3.23Å; T131-D159 WeakPolarHBondContact OG1-CA 3.49Å; D159-L161 PolarHBondContact O-N 3.42Å; D159-K225 PolarHBondContact N-O 3.03Å; D159-G226 WeakPolarHBondContact OD2-CA 3.32Å; D159-L227 HydrophobicContact CB-CD1 4.04Å; D159-L227 HydrophobicContact CB-CG 4Å; D159-L227 PolarHBondContact OD2-N 2.82Å
160	N	97.4	Very high	94.4	Very high	14 Å²	14	48.3 Å²	48.3	8%	0.075	29%	0.287	C	S	.	.			trans	-81.9	70.6	-179.8	-163.6	-22.2	0	0	0	111.6	A127 C130 S139 A158 S162 Y163 G164	A127-N160 WeakPolarHBondContact CB-O 3.48Å; A127-N160 PolarHBondContact O-N 3.13Å; C130-N160 HydrophobicContact CB-CB 3.85Å; S139-N160 VanDerWaalsContact O-CB 3.28Å; S139-N160 WeakPolarHBondContact O-CB 3.36Å; S139-N160 PolarHBondContact O-ND2 3.18Å; A158-N160 PolarHBondContact O-N 2.96Å; N160-S162 VanDerWaalsContact C-N 3.32Å; N160-S162 PolarHBondContact O-N 3.07Å; N160-S162 PolarHBondContact OD1-OG 3.33Å; N160-S162 VanDerWaalsContact OD1-OG 3.08Å; N160-Y163 PolarHBondContact O-N 2.96Å; N160-Y163 VanDerWaalsContact OD1-CB 3.32Å; N160-Y163 WeakPolarHBondContact OD1-CB 3.43Å; N160-Y163 PolarHBondContact OD1-N 3.12Å; N160-G164 PolarHBondContact O-N 2.88Å
161	L	97.6	Very high	94.9	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-37	-175.6	177.6	60.6	0	0	0	112.7	D159 G164 L165 L201 R202 L227	D159-L161 PolarHBondContact O-N 3.42Å; L161-G164 PolarHBondContact O-N 3.44Å; L161-L165 HydrophobicContact CD1-CD1 3.9Å; L161-L165 HydrophobicContact CD1-CD2 4.28Å; L161-L165 HydrophobicContact CD1-CG 3.76Å; L161-L165 HydrophobicContact CD2-CD1 4.42Å; L161-L165 HydrophobicContact CG-CD1 3.79Å; L161-L165 HydrophobicContact CG-CG 4.15Å; L161-L165 WeakPolarHBondContact O-CB 3.34Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 2.89Å; L161-L201 HydrophobicContact CD1-CD2 3.68Å; L161-L201 HydrophobicContact CD1-CG 3.85Å; L161-R202 HydrophobicContact CD2-CB 4.5Å; L161-R202 HydrophobicContact CD2-CG 4.17Å; L161-L227 HydrophobicContact CD1-CD1 4.35Å; L161-L227 HydrophobicContact CD1-CD2 4.02Å; L161-L227 HydrophobicContact CD2-CD2 4.19Å
162	S	97.3	Very high	95.5	Very high	79 Å²	79	39.5 Å²	39.5	55%	0.552	22%	0.22	S	C	*	.	H	α-helix	trans	-63	-45.4	179.5	55.7	0	0	0	0	111.4	N160 L165 L166	N160-S162 VanDerWaalsContact C-N 3.32Å; N160-S162 PolarHBondContact O-N 3.07Å; N160-S162 PolarHBondContact OD1-OG 3.33Å; N160-S162 VanDerWaalsContact OD1-OG 3.08Å; S162-L165 PolarHBondContact O-N 2.65Å; S162-L166 WeakPolarHBondContact O-CB 3.47Å; S162-L166 PolarHBondContact O-N 2.95Å
163	Y	97.8	Very high	95.8	Very high	50 Å²	50	38.8 Å²	38.8	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-44.3	175.1	-172.9	-91	0	0	0	111.9	I126 C130 L135 G137 C138 N160 L165 L166 M167	I126-Y163 HydrophobicContact CG2-CD1 3.74Å; I126-Y163 HydrophobicContact CG2-CE1 3.82Å; C130-Y163 VanDerWaalsContact SG-CD1 3.51Å; L135-Y163 HydrophobicContact CD2-CE1 3.91Å; G137-Y163 PolarHBondContact O-OH 2.01Å; C138-Y163 HydrophobicContact CB-CD1 3.71Å; C138-Y163 HydrophobicContact CB-CD2 4.05Å; C138-Y163 HydrophobicContact CB-CE1 3.67Å; C138-Y163 HydrophobicContact CB-CE2 3.99Å; C138-Y163 HydrophobicContact CB-CG 3.9Å; N160-Y163 PolarHBondContact O-N 2.96Å; N160-Y163 VanDerWaalsContact OD1-CB 3.32Å; N160-Y163 WeakPolarHBondContact OD1-CB 3.43Å; N160-Y163 PolarHBondContact OD1-N 3.12Å; Y163-L165 PolarHBondContact O-N 2.88Å; Y163-L166 PolarHBondContact O-N 3.29Å; Y163-M167 HydrophobicContact CD1-CG 4.15Å; Y163-M167 HydrophobicContact CE1-CB 4.41Å; Y163-M167 HydrophobicContact CE1-CG 3.67Å; Y163-M167 HydrophobicContact CE2-CG 4.11Å; Y163-M167 PolarHBondContact O-N 2.89Å
164	G	98.1	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-42.2	176.7	0	0	0	0	0	113.3	S123 N160 L161 G168	S123-G164 VanDerWaalsContact CA-O 3.3Å; S123-G164 WeakPolarHBondContact CA-O 2.99Å; S123-G164 WeakPolarHBondContact CB-O 2.95Å; S123-G164 WeakPolarHBondContact O-CA 3.43Å; S123-G164 PolarHBondContact OG-O 3.4Å; N160-G164 PolarHBondContact O-N 2.88Å; L161-G164 PolarHBondContact O-N 3.44Å; G164-G168 WeakPolarHBondContact O-CA 3.42Å; G164-G168 PolarHBondContact O-N 3.28Å
165	L	98.6	Very high	95.7	Very high	20 Å²	20	29.2 Å²	29.2	11%	0.105	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-44.7	174.6	-72.1	169.7	0	0	0	111.9	S123 L161 S162 Y163 A169 R198 L201 R202	S123-L165 WeakPolarHBondContact OG-CA 3.34Å; L161-L165 HydrophobicContact CD1-CD1 3.9Å; L161-L165 HydrophobicContact CD1-CD2 4.28Å; L161-L165 HydrophobicContact CD1-CG 3.76Å; L161-L165 HydrophobicContact CD2-CD1 4.42Å; L161-L165 HydrophobicContact CG-CD1 3.79Å; L161-L165 HydrophobicContact CG-CG 4.15Å; L161-L165 WeakPolarHBondContact O-CB 3.34Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 2.89Å; S162-L165 PolarHBondContact O-N 2.65Å; Y163-L165 PolarHBondContact O-N 2.88Å; L165-A169 WeakPolarHBondContact O-CB 3.29Å; L165-A169 PolarHBondContact O-N 3.16Å; L165-R198 HydrophobicContact CD2-CB 3.69Å; L165-R198 HydrophobicContact CD2-CG 3.75Å; L165-L201 HydrophobicContact CD2-CD2 4.28Å; L165-R202 HydrophobicContact CD1-CG 3.79Å
166	L	97.6	Very high	95.5	Very high	114 Å²	114	28.7 Å²	28.7	60%	0.597	17%	0.173	S	C	*	.	H	α-helix	trans	-61.5	-55.3	179.7	176.3	64.3	0	0	0	111.6	S162 Y163 K170	S162-L166 WeakPolarHBondContact O-CB 3.47Å; S162-L166 PolarHBondContact O-N 2.95Å; Y163-L166 PolarHBondContact O-N 3.29Å; L166-K170 VanDerWaalsContact O-CB 3.32Å; L166-K170 WeakPolarHBondContact O-CB 3.2Å; L166-K170 PolarHBondContact O-N 3.19Å
167	M	97.6	Very high	95.1	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-72	-38.6	-176.5	-69	-57.5	-72.7	0	0	111.8	L65 I126 Y163 K170 F171	L65-M167 HydrophobicContact CD2-CE 3.57Å; I126-M167 HydrophobicContact CD1-CB 4Å; I126-M167 HydrophobicContact CG2-CB 4.28Å; Y163-M167 HydrophobicContact CD1-CG 4.15Å; Y163-M167 HydrophobicContact CE1-CB 4.41Å; Y163-M167 HydrophobicContact CE1-CG 3.67Å; Y163-M167 HydrophobicContact CE2-CG 4.11Å; Y163-M167 PolarHBondContact O-N 2.89Å; M167-K170 PolarHBondContact O-N 2.88Å; M167-K170 HydrophobicContact SD-CD 4.15Å; M167-F171 PolarHBondContact O-N 3.16Å
168	G	97.6	Very high	94.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-45.5	174.9	0	0	0	0	0	112.4	G164 F171 S172	G164-G168 WeakPolarHBondContact O-CA 3.42Å; G164-G168 PolarHBondContact O-N 3.28Å; G168-F171 PolarHBondContact O-N 3.04Å; G168-S172 WeakPolarHBondContact O-CB 3.47Å; G168-S172 PolarHBondContact O-N 2.8Å; G168-S172 PolarHBondContact O-OG 3Å
169	A	97.7	Very high	92.4	Very high	21 Å²	21	44.4 Å²	44.4	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-67.1	-40.4	174.2	0	0	0	0	0	112.1	L165 F171 D173	L165-A169 WeakPolarHBondContact O-CB 3.29Å; L165-A169 PolarHBondContact O-N 3.16Å; A169-F171 PolarHBondContact O-N 3.25Å; A169-D173 VanDerWaalsContact O-CB 3.23Å; A169-D173 WeakPolarHBondContact O-CB 3.45Å; A169-D173 PolarHBondContact O-N 2.82Å
170	K	96.1	Very high	90.9	Very high	97 Å²	97	52 Å²	52	42%	0.422	26%	0.256	S	S	.	.	H	α-helix	trans	-56	-40.3	176.6	-166.2	-178.1	-169.9	-173.6	0	111.4	L58 L166 M167 A174	L58-K170 HydrophobicContact CD1-CG 4.14Å; L58-K170 VanDerWaalsContact CD1-O 3.29Å; L58-K170 WeakPolarHBondContact CD1-O 3.45Å; L58-K170 HydrophobicContact CD2-CD 3.67Å; L58-K170 VanDerWaalsContact CD2-CE 3.45Å; L58-K170 HydrophobicContact CD2-CG 3.84Å; L166-K170 VanDerWaalsContact O-CB 3.32Å; L166-K170 WeakPolarHBondContact O-CB 3.2Å; L166-K170 PolarHBondContact O-N 3.19Å; M167-K170 PolarHBondContact O-N 2.88Å; M167-K170 HydrophobicContact SD-CD 4.15Å; K170-A174 WeakPolarHBondContact O-CB 3.19Å
171	F	96.4	Very high	88.7	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-82.9	-53.3	180	-173.3	-87.8	0	0	0	113.8	W27 L30 L51 Q55 L58 M66 V69 I122 M167 G168 A169 A174	W27-F171 HydrophobicContact CB-CE1 3.84Å; W27-F171 HydrophobicContact CB-CZ 4.28Å; W27-F171 AromaticContact CD2-CE1 3.91Å; W27-F171 HydrophobicContact CD2-CE1 3.91Å; W27-F171 HydrophobicContact CE3-CE1 4.15Å; W27-F171 AromaticContact CG-CE1 3.77Å; W27-F171 HydrophobicContact CG-CE1 3.77Å; L30-F171 HydrophobicContact CD1-CZ 4.45Å; L51-F171 HydrophobicContact CD2-CE2 4.44Å; L51-F171 HydrophobicContact CD2-CZ 3.69Å; Q55-F171 HydrophobicContact CB-CD2 4.46Å; Q55-F171 HydrophobicContact CB-CE2 3.96Å; Q55-F171 HydrophobicContact CB-CZ 4.24Å; Q55-F171 HydrophobicContact CG-CD2 4.31Å; Q55-F171 HydrophobicContact CG-CE1 4.5Å; Q55-F171 HydrophobicContact CG-CE2 4.13Å; Q55-F171 HydrophobicContact CG-CZ 4.23Å; Q55-F171 PolarHBondContact NE2-O 3.3Å; L58-F171 HydrophobicContact CB-CD2 4.44Å; L58-F171 HydrophobicContact CD1-CB 4.38Å; L58-F171 HydrophobicContact CD1-CD2 4.32Å; M66-F171 HydrophobicContact CE-CE2 4.33Å; M66-F171 HydrophobicContact CE-CZ 4.44Å; M66-F171 HydrophobicContact SD-CE2 4.08Å; V69-F171 HydrophobicContact CG1-CD1 4.24Å; V69-F171 HydrophobicContact CG1-CE1 3.61Å; V69-F171 HydrophobicContact CG1-CE2 4.28Å; V69-F171 HydrophobicContact CG1-CZ 3.64Å; I122-F171 HydrophobicContact CD1-CB 3.96Å; I122-F171 HydrophobicContact CD1-CD1 3.33Å; I122-F171 HydrophobicContact CD1-CE1 4.08Å; I122-F171 HydrophobicContact CD1-CG 3.88Å; M167-F171 PolarHBondContact O-N 3.16Å; G168-F171 PolarHBondContact O-N 3.04Å; A169-F171 PolarHBondContact O-N 3.25Å; F171-A174 WeakPolarHBondContact O-CB 3.35Å; F171-A174 PolarHBondContact O-N 2.78Å
172	S	95.4	Very high	87	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-69.2	-35.1	-173.9	58	0	0	0	0	112.7	G168 P175 M176	G168-S172 WeakPolarHBondContact O-CB 3.47Å; G168-S172 PolarHBondContact O-N 2.8Å; G168-S172 PolarHBondContact O-OG 3Å; S172-P175 WeakPolarHBondContact O-CD 3.36Å; S172-M176 WeakPolarHBondContact O-CE 3.28Å
173	D	94.8	Very high	85.9	Confident	13 Å²	13	58.5 Å²	58.5	7%	0.07	31%	0.306	C	S	.	.	S	Bend	trans	-87.5	-9.3	-178.8	-59.4	-10.1	0	0	0	112.8	A169 P175 M176 K177 L191 R198	A169-D173 VanDerWaalsContact O-CB 3.23Å; A169-D173 WeakPolarHBondContact O-CB 3.45Å; A169-D173 PolarHBondContact O-N 2.82Å; D173-P175 VanDerWaalsContact C-CD 3.41Å; D173-M176 PolarHBondContact O-N 2.73Å; D173-K177 PolarHBondContact O-N 3.47Å; D173-L191 HydrophobicContact CB-CD2 4.06Å; D173-R198 IonicContact OD1-CZ 3.26Å; D173-R198 IonicContact OD1-NH1 3.41Å; D173-R198 PolarHBondContact OD1-NH1 2.66Å; D173-R198 IonicContact OD1-NH2 2.93Å; D173-R198 IonicContact OD2-CZ 3.54Å; D173-R198 IonicContact OD2-NH1 2.72Å; D173-R198 PolarHBondContact OD2-NH1 3.2Å; D173-R198 VanDerWaalsContact OD2-NH1 3.14Å; D173-R198 IonicContact OD2-NH2 2.78Å; D173-R198 PolarHBondContact OD2-NH2 3.3Å
174	A	92.7	Very high	85.2	Confident	6 Å²	6	61.1 Å²	61.1	5%	0.05	32%	0.32	C	S	.	.	H	α-helix	trans	-52.2	-42.8	-177.8	0	0	0	0	0	114.1	A54 Q55 L58 K170 F171 M176 K177	A54-A174 HydrophobicContact CB-CB 3.96Å; Q55-A174 HydrophobicContact CG-CB 3.99Å; L58-A174 HydrophobicContact CD1-CB 4.39Å; K170-A174 WeakPolarHBondContact O-CB 3.19Å; F171-A174 WeakPolarHBondContact O-CB 3.35Å; F171-A174 PolarHBondContact O-N 2.78Å; A174-M176 PolarHBondContact O-N 3.06Å; A174-K177 PolarHBondContact O-N 3.21Å; A174-K177 VanDerWaalsContact O-N 3.16Å
175	P	88.8	Confident	84.8	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.039	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-25.1	177.9	-20.8	32.9	0	0	0	114	C22 V52 S172 D173	C22-P175 VanDerWaalsContact SG-CB 3.54Å; C22-P175 PolarHBondContact SG-O 2.93Å; V52-P175 HydrophobicContact CG1-CB 4.07Å; V52-P175 HydrophobicContact CG1-CG 4.17Å; V52-P175 HydrophobicContact CG2-CB 4.1Å; V52-P175 HydrophobicContact CG2-CG 3.78Å; S172-P175 WeakPolarHBondContact O-CD 3.36Å; D173-P175 VanDerWaalsContact C-CD 3.41Å
176	M	87	Confident	84.3	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-86.3	-15.6	179.4	-73.1	128.7	-73.1	0	0	113.2	S172 D173 A174 K187 R190 L191	S172-M176 WeakPolarHBondContact O-CE 3.28Å; D173-M176 PolarHBondContact O-N 2.73Å; A174-M176 PolarHBondContact O-N 3.06Å; M176-K187 HydrophobicContact CB-CG 4.33Å; M176-K187 HydrophobicContact CG-CG 4.39Å; M176-K187 WeakPolarHBondContact O-CE 3.14Å; M176-K187 PolarHBondContact O-NZ 3.39Å; M176-R190 HydrophobicContact SD-CB 4.05Å; M176-L191 HydrophobicContact CB-CD1 4.27Å; M176-L191 HydrophobicContact CB-CD2 3.88Å; M176-L191 HydrophobicContact CB-CG 4.06Å; M176-L191 HydrophobicContact CG-CD2 4.31Å; M176-L191 HydrophobicContact CG-CG 4.25Å; M176-L191 HydrophobicContact SD-CD2 4Å; M176-L191 HydrophobicContact SD-CG 4.23Å
177	K	81.3	Confident	83.9	Confident	148 Å²	148	59.4 Å²	59.4	64%	0.643	31%	0.31	S	S	*	.	H	α-helix	trans	-79.7	-17.7	178.4	-67.2	-176.6	-179.3	179.5	0	113.4	D173 A174	D173-K177 PolarHBondContact O-N 3.47Å; A174-K177 PolarHBondContact O-N 3.21Å; A174-K177 VanDerWaalsContact O-N 3.16Å
178	V	72.7	Confident	83.6	Confident	73 Å²	73	61.6 Å²	61.6	44%	0.442	32%	0.322	S	S	.	.	S	Bend	trans	-70.1	135.6	178.3	-171.1	0	0	0	0	110.3	K180	V178-K180 HydrophobicContact CG1-CB 4.35Å; V178-K180 PolarHBondContact O-N 3.43Å
179	K	62.1	Low	83.4	Confident	217 Å²	217	61.6 Å²	61.6	94%	0.943	32%	0.322	S	S	*	.			trans	-69.4	4.6	-176	-72	-176.6	176.1	179.6	0	115.3
180	K	64.3	Low	83.3	Confident	178 Å²	178	61.1 Å²	61.1	77%	0.774	32%	0.315	S	S	*	.			trans	-80.5	160.2	-169.5	-97.2	-170.5	176.5	-176.6	0	115.2	V178 G182	V178-K180 HydrophobicContact CG1-CB 4.35Å; V178-K180 PolarHBondContact O-N 3.43Å; K180-G182 PolarHBondContact O-N 3.45Å
181	T	51.1	Low	83.2	Confident	135 Å²	135	59 Å²	59	83%	0.828	31%	0.308	S	S	*	.	S	Bend	trans	-51.7	104	-176.2	45.8	0	0	0	0	113.9
182	G	61.7	Low	83.1	Confident	48 Å²	48	61.1 Å²	61.1	50%	0.495	32%	0.318	S	S	.	.	S	Bend	trans	-153.5	162.6	168.8	0	0	0	0	0	109.6	K180 Q184	K180-G182 PolarHBondContact O-N 3.45Å; G182-Q184 PolarHBondContact O-N 3.32Å
183	S	74.5	Confident	83.3	Confident	67 Å²	67	60.8 Å²	60.8	47%	0.469	32%	0.316	S	S	.	.			trans	-58.6	114.4	173.6	170.7	0	0	0	0	109.3	A185 N186 K187	S183-A185 PolarHBondContact O-N 2.98Å; S183-A185 PolarHBondContact OG-N 3.27Å; S183-N186 PolarHBondContact O-N 2.79Å; S183-N186 PolarHBondContact OG-N 3.09Å; S183-K187 PolarHBondContact O-N 3.37Å; S183-K187 VanDerWaalsContact O-N 3.07Å
184	Q	83.3	Confident	83.4	Confident	104 Å²	104	60.4 Å²	60.4	49%	0.486	31%	0.314	S	S	.	.	H	α-helix	trans	-53.6	-35.8	176.8	-71.1	-67.1	-20.3	0	0	111	G182 K187 L188	G182-Q184 PolarHBondContact O-N 3.32Å; Q184-K187 PolarHBondContact O-N 3.35Å; Q184-L188 WeakPolarHBondContact O-CG 3.25Å; Q184-L188 PolarHBondContact O-N 2.9Å
185	A	88.6	Confident	83.7	Confident	9 Å²	9	62.8 Å²	62.8	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-49.5	174.8	0	0	0	0	0	112.3	S183 K187 L188 M189 H249 L258 L276	S183-A185 PolarHBondContact O-N 2.98Å; S183-A185 PolarHBondContact OG-N 3.27Å; A185-K187 VanDerWaalsContact C-N 3.32Å; A185-K187 PolarHBondContact O-N 2.92Å; A185-L188 PolarHBondContact O-N 3.31Å; A185-M189 WeakPolarHBondContact O-CB 3.29Å; A185-M189 PolarHBondContact O-N 2.89Å; A185-H249 HydrophobicContact CB-CB 3.61Å; A185-L258 HydrophobicContact CB-CD2 4.29Å; A185-L276 HydrophobicContact CB-CD1 3.91Å; A185-L276 HydrophobicContact CB-CD2 4.06Å
186	N	89.1	Confident	84.1	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.128	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-41	177.8	-87.7	-45.7	0	0	0	111.4	S183 M189 R190 L276	S183-N186 PolarHBondContact O-N 2.79Å; S183-N186 PolarHBondContact OG-N 3.09Å; N186-M189 PolarHBondContact O-N 3.04Å; N186-R190 WeakPolarHBondContact O-CB 3.3Å; N186-R190 VanDerWaalsContact O-CD 3.3Å; N186-R190 WeakPolarHBondContact O-CD 3.4Å; N186-R190 WeakPolarHBondContact O-CG 3.08Å; N186-R190 PolarHBondContact O-N 2.95Å; N186-L276 HydrophobicContact CB-CD1 4.43Å; N186-L276 WeakPolarHBondContact OD1-CD1 3.3Å
187	K	89.6	Confident	84.7	Confident	66 Å²	66	61.9 Å²	61.9	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-47.6	176.4	173	174.8	164	166.9	0	111.7	M176 S183 Q184 A185 R190 L191	M176-K187 HydrophobicContact CB-CG 4.33Å; M176-K187 HydrophobicContact CG-CG 4.39Å; M176-K187 WeakPolarHBondContact O-CE 3.14Å; M176-K187 PolarHBondContact O-NZ 3.39Å; S183-K187 PolarHBondContact O-N 3.37Å; S183-K187 VanDerWaalsContact O-N 3.07Å; Q184-K187 PolarHBondContact O-N 3.35Å; A185-K187 VanDerWaalsContact C-N 3.32Å; A185-K187 PolarHBondContact O-N 2.92Å; K187-R190 PolarHBondContact O-N 3.44Å; K187-L191 HydrophobicContact CG-CD1 4.11Å; K187-L191 WeakPolarHBondContact O-CG 3.02Å; K187-L191 PolarHBondContact O-N 3.02Å; K187-L191 VanDerWaalsContact O-N 3.07Å
188	L	91.1	Very high	85.5	Confident	61 Å²	61	55.4 Å²	55.4	32%	0.319	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.9	-71.1	171.7	0	0	0	111.6	Q184 A185 R190 L191 H192 L258	Q184-L188 WeakPolarHBondContact O-CG 3.25Å; Q184-L188 PolarHBondContact O-N 2.9Å; A185-L188 PolarHBondContact O-N 3.31Å; L188-R190 VanDerWaalsContact C-N 3.35Å; L188-R190 PolarHBondContact O-N 3.35Å; L188-L191 PolarHBondContact O-N 3.41Å; L188-H192 WeakPolarHBondContact O-CB 3.39Å; L188-H192 PolarHBondContact O-N 3.32Å; L188-L258 HydrophobicContact CB-CD1 3.67Å; L188-L258 HydrophobicContact CB-CG 3.95Å; L188-L258 HydrophobicContact CD1-CG 4.34Å
189	M	93.7	Very high	86.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-44.4	179.7	-174.7	-150.5	81.2	0	0	111.1	G107 A185 N186 H192 N193 L258 V274 L276	G107-M189 VanDerWaalsContact CA-SD 3.56Å; A185-M189 WeakPolarHBondContact O-CB 3.29Å; A185-M189 PolarHBondContact O-N 2.89Å; N186-M189 PolarHBondContact O-N 3.04Å; M189-H192 PolarHBondContact O-N 2.86Å; M189-N193 WeakPolarHBondContact O-CB 3.5Å; M189-N193 VanDerWaalsContact O-CG 3.25Å; M189-N193 PolarHBondContact O-N 2.78Å; M189-N193 PolarHBondContact O-ND2 3.36Å; M189-N193 VanDerWaalsContact O-ND2 3.13Å; M189-L258 HydrophobicContact CB-CD1 3.98Å; M189-V274 HydrophobicContact CG-CG2 3.93Å; M189-V274 WeakPolarHBondContact CG-O 3.37Å; M189-L276 HydrophobicContact CB-CD1 4.03Å; M189-L276 HydrophobicContact CB-CG 4.34Å; M189-L276 HydrophobicContact CG-CD1 4.37Å; M189-L276 HydrophobicContact CG-CG 4.3Å; M189-L276 HydrophobicContact SD-CB 4.4Å; M189-L276 HydrophobicContact SD-CD1 3.84Å; M189-L276 HydrophobicContact SD-CG 3.85Å
190	R	94	Very high	88.5	Confident	10 Å²	10	44.2 Å²	44.2	4%	0.038	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-46.7	179.2	-69.3	166.5	-176.7	-179.5	4.1	112	C22 Y23 E105 Y115 M176 N186 K187 L188 N193 S194	C22-R190 PolarHBondContact O-NH1 2.91Å; Y23-R190 VanDerWaalsContact CE1-NH2 3.31Å; E105-R190 PolarHBondContact O-NH2 3.42Å; Y115-R190 HydrophobicContact CD1-CB 3.86Å; Y115-R190 HydrophobicContact CD1-CG 4.03Å; Y115-R190 HydrophobicContact CD2-CG 3.92Å; Y115-R190 HydrophobicContact CE1-CB 3.74Å; Y115-R190 HydrophobicContact CE1-CG 3.66Å; Y115-R190 HydrophobicContact CE2-CB 4.46Å; Y115-R190 HydrophobicContact CE2-CG 3.58Å; Y115-R190 HydrophobicContact CG-CB 4.28Å; Y115-R190 HydrophobicContact CG-CG 4.17Å; Y115-R190 VanDerWaalsContact CZ-CD 3.41Å; Y115-R190 VanDerWaalsContact CZ-CG 3.44Å; Y115-R190 VanDerWaalsContact OH-CD 3.29Å; Y115-R190 WeakPolarHBondContact OH-CD 3.37Å; Y115-R190 PolarHBondContact OH-NE 3.48Å; M176-R190 HydrophobicContact SD-CB 4.05Å; N186-R190 WeakPolarHBondContact O-CB 3.3Å; N186-R190 VanDerWaalsContact O-CD 3.3Å; N186-R190 WeakPolarHBondContact O-CD 3.4Å; N186-R190 WeakPolarHBondContact O-CG 3.08Å; N186-R190 PolarHBondContact O-N 2.95Å; K187-R190 PolarHBondContact O-N 3.44Å; L188-R190 VanDerWaalsContact C-N 3.35Å; L188-R190 PolarHBondContact O-N 3.35Å; R190-N193 PolarHBondContact O-N 3.42Å; R190-S194 WeakPolarHBondContact O-CB 3.49Å; R190-S194 PolarHBondContact O-N 3.43Å; R190-S194 PolarHBondContact O-OG 3.08Å; R190-S194 VanDerWaalsContact O-OG 3.13Å
191	L	94.4	Very high	90.1	Very high	53 Å²	53	35.7 Å²	35.7	28%	0.277	20%	0.201	S	C	.	.	H	α-helix	trans	-63	-42.5	177	-74.2	170.4	0	0	0	111.9	D173 M176 K187 L188 S194 E195	D173-L191 HydrophobicContact CB-CD2 4.06Å; M176-L191 HydrophobicContact CB-CD1 4.27Å; M176-L191 HydrophobicContact CB-CD2 3.88Å; M176-L191 HydrophobicContact CB-CG 4.06Å; M176-L191 HydrophobicContact CG-CD2 4.31Å; M176-L191 HydrophobicContact CG-CG 4.25Å; M176-L191 HydrophobicContact SD-CD2 4Å; M176-L191 HydrophobicContact SD-CG 4.23Å; K187-L191 HydrophobicContact CG-CD1 4.11Å; K187-L191 WeakPolarHBondContact O-CG 3.02Å; K187-L191 PolarHBondContact O-N 3.02Å; K187-L191 VanDerWaalsContact O-N 3.07Å; L188-L191 PolarHBondContact O-N 3.41Å; L191-S194 PolarHBondContact O-N 2.8Å; L191-E195 PolarHBondContact O-N 3.02Å
192	H	95.6	Very high	92.3	Very high	47 Å²	47	34.2 Å²	34.2	22%	0.218	18%	0.18	C	C	.	.	H	α-helix	trans	-58.1	-54.2	174.9	-179.7	92.5	0	0	0	111.1	L188 M189 S194 E195 V196 E272 V274	L188-H192 WeakPolarHBondContact O-CB 3.39Å; L188-H192 PolarHBondContact O-N 3.32Å; M189-H192 PolarHBondContact O-N 2.86Å; H192-S194 VanDerWaalsContact C-N 3.34Å; H192-S194 PolarHBondContact O-N 3.05Å; H192-E195 WeakPolarHBondContact O-CA 3.38Å; H192-E195 PolarHBondContact O-N 3.13Å; H192-V196 WeakPolarHBondContact O-CG2 3.33Å; H192-V196 PolarHBondContact O-N 3.2Å; H192-E272 PolarHBondContact NE2-O 3.1Å; H192-V274 HydrophobicContact CB-CG2 4.38Å
193	N	98.1	Very high	94	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-36.6	-178.1	-67.9	-31.4	0	0	0	112.5	A112 A116 M189 R190 E195 V196 G197 L273 V274	A112-N193 VanDerWaalsContact CA-ND2 3.35Å; A112-N193 WeakPolarHBondContact CA-ND2 3.49Å; A112-N193 WeakPolarHBondContact CB-ND2 3.3Å; A116-N193 VanDerWaalsContact CA-O 3.22Å; A116-N193 WeakPolarHBondContact CA-O 3.36Å; A116-N193 WeakPolarHBondContact CB-O 3.35Å; M189-N193 WeakPolarHBondContact O-CB 3.5Å; M189-N193 VanDerWaalsContact O-CG 3.25Å; M189-N193 PolarHBondContact O-N 2.78Å; M189-N193 PolarHBondContact O-ND2 3.36Å; M189-N193 VanDerWaalsContact O-ND2 3.13Å; R190-N193 PolarHBondContact O-N 3.42Å; N193-E195 VanDerWaalsContact C-N 3.28Å; N193-E195 PolarHBondContact O-N 2.04Å; N193-V196 PolarHBondContact O-N 3.48Å; N193-G197 PolarHBondContact O-N 3.25Å; N193-L273 HydrophobicContact CB-CD2 4.02Å; N193-V274 PolarHBondContact ND2-O 3.28Å; N193-V274 PolarHBondContact OD1-N 3.01Å; N193-V274 PolarHBondContact OD1-O 2.83Å
194	S	98	Very high	95.1	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-41.2	170.5	-72.1	0	0	0	0	111.8	A119 R190 L191 H192 G197 R198	A119-S194 VanDerWaalsContact CB-O 3.29Å; A119-S194 WeakPolarHBondContact CB-O 3.4Å; R190-S194 WeakPolarHBondContact O-CB 3.49Å; R190-S194 PolarHBondContact O-N 3.43Å; R190-S194 PolarHBondContact O-OG 3.08Å; R190-S194 VanDerWaalsContact O-OG 3.13Å; L191-S194 PolarHBondContact O-N 2.8Å; H192-S194 VanDerWaalsContact C-N 3.34Å; H192-S194 PolarHBondContact O-N 3.05Å; S194-G197 PolarHBondContact O-N 3Å; S194-R198 PolarHBondContact O-N 3.49Å; S194-R198 VanDerWaalsContact O-N 3.08Å
195	E	97.9	Very high	95.7	Very high	56 Å²	56	30.7 Å²	30.7	26%	0.262	16%	0.158	S	C	.	.	H	α-helix	trans	-71.1	-38.4	177.2	-171.5	54.7	-148.8	0	0	112.6	L191 H192 N193 G197 R198 Q199 R202	L191-E195 PolarHBondContact O-N 3.02Å; H192-E195 WeakPolarHBondContact O-CA 3.38Å; H192-E195 PolarHBondContact O-N 3.13Å; N193-E195 VanDerWaalsContact C-N 3.28Å; N193-E195 PolarHBondContact O-N 2.04Å; E195-G197 PolarHBondContact O-N 3.13Å; E195-R198 CarbonylContact O-C 3.56Å; E195-R198 PolarHBondContact O-N 2.75Å; E195-R198 VanDerWaalsContact O-N 3.09Å; E195-R198 IonicContact OE2-CZ 3.7Å; E195-R198 IonicContact OE2-NE 3.03Å; E195-R198 PolarHBondContact OE2-NE 3.11Å; E195-R198 IonicContact OE2-NH2 3.14Å; E195-R198 PolarHBondContact OE2-NH2 3.25Å; E195-R198 VanDerWaalsContact OE2-NH2 3.1Å; E195-Q199 HydrophobicContact CG-CG 4.45Å; E195-Q199 WeakPolarHBondContact O-CG 3.25Å; E195-Q199 PolarHBondContact O-N 3.37Å; E195-R202 IonicContact OE1-CZ 3.31Å; E195-R202 IonicContact OE1-NH1 3.71Å; E195-R202 PolarHBondContact OE1-NH1 2.97Å; E195-R202 IonicContact OE1-NH2 2.9Å; E195-R202 PolarHBondContact OE1-NH2 3.49Å; E195-R202 VanDerWaalsContact OE1-NH2 3.08Å
196	V	98.6	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55	-43.5	170.5	175.1	0	0	0	0	110.3	H192 N193 Q199 A200 L237 D270 S271 E272 L273	H192-V196 WeakPolarHBondContact O-CG2 3.33Å; H192-V196 PolarHBondContact O-N 3.2Å; N193-V196 PolarHBondContact O-N 3.48Å; V196-Q199 PolarHBondContact O-N 3.42Å; V196-A200 PolarHBondContact O-N 2.91Å; V196-L237 HydrophobicContact CG1-CD2 4.48Å; V196-D270 VanDerWaalsContact CG2-O 3.25Å; V196-D270 WeakPolarHBondContact CG2-O 3.44Å; V196-S271 WeakPolarHBondContact CG1-O 3.38Å; V196-E272 WeakPolarHBondContact CG2-O 3.14Å; V196-L273 HydrophobicContact CB-CD2 3.84Å; V196-L273 HydrophobicContact CG1-CD2 3.6Å; V196-L273 HydrophobicContact CG1-CG 4.06Å; V196-L273 HydrophobicContact CG2-CD2 4.31Å
197	G	98.7	Very high	96.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.5	-49.2	173.3	0	0	0	0	0	113.2	A116 A120 N193 S194 E195 Q199 A200 L201	A116-G197 WeakPolarHBondContact O-CA 3.15Å; A120-G197 WeakPolarHBondContact CB-O 3.27Å; N193-G197 PolarHBondContact O-N 3.25Å; S194-G197 PolarHBondContact O-N 3Å; E195-G197 PolarHBondContact O-N 3.13Å; G197-Q199 VanDerWaalsContact C-N 3.33Å; G197-Q199 PolarHBondContact O-N 3.16Å; G197-A200 PolarHBondContact O-N 3.05Å; G197-L201 PolarHBondContact O-N 3.25Å
198	R	98.7	Very high	96.3	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.045	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-33.9	177.2	-73.4	-174.6	-69.3	-109.5	9.1	112.8	A119 L165 D173 S194 E195 L201 R202	A119-R198 HydrophobicContact CB-CG 4.32Å; L165-R198 HydrophobicContact CD2-CB 3.69Å; L165-R198 HydrophobicContact CD2-CG 3.75Å; D173-R198 IonicContact OD1-CZ 3.26Å; D173-R198 IonicContact OD1-NH1 3.41Å; D173-R198 PolarHBondContact OD1-NH1 2.66Å; D173-R198 IonicContact OD1-NH2 2.93Å; D173-R198 IonicContact OD2-CZ 3.54Å; D173-R198 IonicContact OD2-NH1 2.72Å; D173-R198 PolarHBondContact OD2-NH1 3.2Å; D173-R198 VanDerWaalsContact OD2-NH1 3.14Å; D173-R198 IonicContact OD2-NH2 2.78Å; D173-R198 PolarHBondContact OD2-NH2 3.3Å; S194-R198 PolarHBondContact O-N 3.49Å; S194-R198 VanDerWaalsContact O-N 3.08Å; E195-R198 CarbonylContact O-C 3.56Å; E195-R198 PolarHBondContact O-N 2.75Å; E195-R198 VanDerWaalsContact O-N 3.09Å; E195-R198 IonicContact OE2-CZ 3.7Å; E195-R198 IonicContact OE2-NE 3.03Å; E195-R198 PolarHBondContact OE2-NE 3.11Å; E195-R198 IonicContact OE2-NH2 3.14Å; E195-R198 PolarHBondContact OE2-NH2 3.25Å; E195-R198 VanDerWaalsContact OE2-NH2 3.1Å; R198-L201 WeakPolarHBondContact O-CB 3.03Å; R198-L201 PolarHBondContact O-N 2.73Å; R198-R202 WeakPolarHBondContact O-CG 3.21Å; R198-R202 PolarHBondContact O-N 3.08Å
199	Q	98.3	Very high	96.4	Very high	52 Å²	52	35.4 Å²	35.4	24%	0.243	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-43.7	173.1	-71.5	178.7	10.5	0	0	112.1	E195 V196 G197 L201 R202 A203 D270	E195-Q199 HydrophobicContact CG-CG 4.45Å; E195-Q199 WeakPolarHBondContact O-CG 3.25Å; E195-Q199 PolarHBondContact O-N 3.37Å; V196-Q199 PolarHBondContact O-N 3.42Å; G197-Q199 VanDerWaalsContact C-N 3.33Å; G197-Q199 PolarHBondContact O-N 3.16Å; Q199-L201 VanDerWaalsContact C-N 3.26Å; Q199-L201 PolarHBondContact O-N 3.01Å; Q199-R202 PolarHBondContact O-N 3.16Å; Q199-R202 VanDerWaalsContact O-N 3.15Å; Q199-A203 PolarHBondContact O-N 3.09Å; Q199-D270 PolarHBondContact OE1-O 3.03Å; Q199-D270 VanDerWaalsContact OE1-O 3.06Å
200	A	98.5	Very high	96.3	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-40.8	173.6	0	0	0	0	0	111.1	V196 G197 A203 S204 V233 D236 L237	V196-A200 PolarHBondContact O-N 2.91Å; G197-A200 PolarHBondContact O-N 3.05Å; A200-A203 PolarHBondContact O-N 3.07Å; A200-S204 PolarHBondContact O-N 3.16Å; A200-V233 HydrophobicContact CB-CG1 4.39Å; A200-D236 WeakPolarHBondContact CB-OD2 3.39Å; A200-L237 HydrophobicContact CB-CD2 3.66Å; A200-L237 HydrophobicContact CB-CG 4.16Å
201	L	98.6	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-43.7	173.8	-175.9	66.8	0	0	0	112.6	A120 S123 H124 L161 L165 G197 R198 Q199 A203 S204 L227 V233	A120-L201 HydrophobicContact CB-CB 4.39Å; S123-L201 VanDerWaalsContact CB-CD2 3.48Å; H124-L201 HydrophobicContact CB-CD1 3.77Å; H124-L201 HydrophobicContact CB-CD2 4.29Å; L161-L201 HydrophobicContact CD1-CD2 3.68Å; L161-L201 HydrophobicContact CD1-CG 3.85Å; L165-L201 HydrophobicContact CD2-CD2 4.28Å; G197-L201 PolarHBondContact O-N 3.25Å; R198-L201 WeakPolarHBondContact O-CB 3.03Å; R198-L201 PolarHBondContact O-N 2.73Å; Q199-L201 VanDerWaalsContact C-N 3.26Å; Q199-L201 PolarHBondContact O-N 3.01Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 3.07Å; L201-S204 WeakPolarHBondContact O-CB 3.25Å; L201-S204 PolarHBondContact O-N 3.02Å; L201-S204 VanDerWaalsContact O-N 3.13Å; L201-S204 PolarHBondContact O-OG 3.32Å; L201-L227 HydrophobicContact CD1-CD1 4.19Å; L201-L227 HydrophobicContact CD1-CD2 3.96Å; L201-L227 HydrophobicContact CG-CD2 4.23Å; L201-V233 HydrophobicContact CD1-CG2 4.43Å
202	R	98.1	Very high	95.9	Very high	103 Å²	103	44.4 Å²	44.4	39%	0.389	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-41.7	175.1	-70.2	180	-164.7	101.9	-5.8	112	L161 L165 E195 R198 Q199 S204 L205	L161-R202 HydrophobicContact CD2-CB 4.5Å; L161-R202 HydrophobicContact CD2-CG 4.17Å; L165-R202 HydrophobicContact CD1-CG 3.79Å; E195-R202 IonicContact OE1-CZ 3.31Å; E195-R202 IonicContact OE1-NH1 3.71Å; E195-R202 PolarHBondContact OE1-NH1 2.97Å; E195-R202 IonicContact OE1-NH2 2.9Å; E195-R202 PolarHBondContact OE1-NH2 3.49Å; E195-R202 VanDerWaalsContact OE1-NH2 3.08Å; R198-R202 WeakPolarHBondContact O-CG 3.21Å; R198-R202 PolarHBondContact O-N 3.08Å; Q199-R202 PolarHBondContact O-N 3.16Å; Q199-R202 VanDerWaalsContact O-N 3.15Å; R202-S204 PolarHBondContact O-N 2.99Å; R202-L205 PolarHBondContact O-N 3.22Å
203	A	97.7	Very high	95.3	Very high	76 Å²	76	43.8 Å²	43.8	63%	0.628	23%	0.233	S	C	*	.	H	α-helix	trans	-68.4	-20.7	177.9	0	0	0	0	0	113.1	Q199 A200 L201 L205	Q199-A203 PolarHBondContact O-N 3.09Å; A200-A203 PolarHBondContact O-N 3.07Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 3.07Å; A203-L205 VanDerWaalsContact C-N 3.25Å; A203-L205 PolarHBondContact O-N 3.47Å
204	S	97.6	Very high	94.9	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.042	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	0.8	178.8	80.5	0	0	0	0	114.8	A200 L201 R202 E206 Q228	A200-S204 PolarHBondContact O-N 3.16Å; L201-S204 WeakPolarHBondContact O-CB 3.25Å; L201-S204 PolarHBondContact O-N 3.02Å; L201-S204 VanDerWaalsContact O-N 3.13Å; L201-S204 PolarHBondContact O-OG 3.32Å; R202-S204 PolarHBondContact O-N 2.99Å; S204-E206 PolarHBondContact O-N 3.4Å; S204-Q228 WeakPolarHBondContact O-CG 3.2Å; S204-Q228 PolarHBondContact O-N 2.91Å; S204-Q228 VanDerWaalsContact O-N 3.08Å
205	L	95.7	Very high	94.2	Very high	63 Å²	63	55.7 Å²	55.7	33%	0.33	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.9	179.7	-166.7	74.8	0	0	0	110.4	R202 A203 K225 L227	R202-L205 PolarHBondContact O-N 3.22Å; A203-L205 VanDerWaalsContact C-N 3.25Å; A203-L205 PolarHBondContact O-N 3.47Å; L205-K225 HydrophobicContact CD1-CB 4.07Å; L205-K225 HydrophobicContact CD2-CB 4Å; L205-K225 HydrophobicContact CD2-CD 4.31Å; L205-K225 HydrophobicContact CD2-CG 4.3Å; L205-K225 HydrophobicContact CG-CB 4.01Å; L205-K225 HydrophobicContact CG-CD 4.39Å; L205-L227 HydrophobicContact CD1-CD2 3.87Å; L205-L227 HydrophobicContact CD1-CG 4.27Å
206	E	94.3	Very high	93.3	Very high	76 Å²	76	56.2 Å²	56.2	36%	0.355	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	161.5	-177.7	65.2	-176.9	-169	0	0	112	S204 K208 K225 G226 Q228	S204-E206 PolarHBondContact O-N 3.4Å; E206-K208 HydrophobicContact CG-CG 4.16Å; E206-K208 PolarHBondContact O-N 3.04Å; E206-K208 WeakPolarHBondContact OE1-CE 3.35Å; E206-K225 WeakPolarHBondContact O-CA 3.46Å; E206-G226 PolarHBondContact N-O 3.36Å; E206-G226 PolarHBondContact O-N 3.13Å; E206-Q228 HydrophobicContact CG-CG 4.27Å; E206-Q228 WeakPolarHBondContact OE2-CG 3.37Å; E206-Q228 PolarHBondContact OE2-NE2 3.37Å
207	M	92.4	Very high	92.7	Very high	78 Å²	78	58.6 Å²	58.6	38%	0.384	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.4	172.2	-172.4	-172.4	-62.4	0	0	108.8	W154 C223	W154-M207 HydrophobicContact CH2-CE 3.81Å; W154-M207 HydrophobicContact CZ3-CE 4.48Å; W154-M207 HydrophobicContact CZ3-CG 4.43Å; M207-C223 HydrophobicContact CG-CB 3.92Å; M207-C223 HydrophobicContact SD-CB 4.11Å
208	K	92.8	Very high	92.2	Very high	52 Å²	52	61.9 Å²	61.9	23%	0.226	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.2	171.4	-63.5	-171.6	-179	178	0	108.8	E206 C223 W224 L227	E206-K208 HydrophobicContact CG-CG 4.16Å; E206-K208 PolarHBondContact O-N 3.04Å; E206-K208 WeakPolarHBondContact OE1-CE 3.35Å; K208-C223 CarbonylContact O-C 3.54Å; K208-C223 WeakPolarHBondContact O-CA 3.43Å; K208-W224 HydrophobicContact CB-CD2 4.48Å; K208-W224 HydrophobicContact CB-CZ2 4.22Å; K208-W224 PolarHBondContact N-O 3.14Å; K208-W224 PolarHBondContact O-N 3.39Å; K208-L227 WeakPolarHBondContact CE-O 3.15Å; K208-L227 PolarHBondContact NZ-O 3.39Å
209	C	92.4	Very high	91.6	Very high	53 Å²	53	65.7 Å²	65.7	36%	0.358	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.8	-177.8	-59.1	0	0	0	0	111.4	R221 T222 C223	C209-R221 HydrophobicContact CB-CG 4.43Å; C209-T222 CarbonylContact C-O 3.19Å; C209-T222 VanDerWaalsContact CA-O 3.31Å; C209-T222 WeakPolarHBondContact CA-O 3.48Å; C209-C223 HydrophobicContact CB-CB 4.1Å; C209-C223 WeakPolarHBondContact CB-SG 3.34Å; C209-C223 WeakPolarHBondContact SG-CB 3.4Å; C209-C223 CovalentContact SG-SG 2.04Å; C209-C223 PolarHBondContact SG-SG 3.44Å
210	K	91.6	Very high	91	Very high	128 Å²	128	65.9 Å²	65.9	56%	0.557	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.5	167.7	-174.4	171.6	-179.6	178.1	0	109.3	H212 R221 T222 W224	K210-H212 PolarHBondContact O-CD2 3.28Å; K210-R221 CarbonylContact O-C 3.45Å; K210-R221 VanDerWaalsContact O-CA 3.3Å; K210-R221 WeakPolarHBondContact O-CA 3.05Å; K210-R221 WeakPolarHBondContact O-CB 3.08Å; K210-T222 PolarHBondContact N-O 2.84Å; K210-T222 PolarHBondContact O-N 2.96Å; K210-W224 HydrophobicContact CB-CH2 3.96Å; K210-W224 HydrophobicContact CB-CZ3 3.98Å
211	C	91.7	Very high	90.6	Very high	49 Å²	49	70.4 Å²	70.4	33%	0.331	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.9	174.8	-69.6	0	0	0	0	111.2	C218	C211-C218 HydrophobicContact CB-CB 3.75Å; C211-C218 WeakPolarHBondContact CB-SG 3.31Å; C211-C218 WeakPolarHBondContact SG-CB 3.42Å; C211-C218 CovalentContact SG-SG 2.02Å; C211-C218 PolarHBondContact SG-SG 2.72Å
212	H	87.9	Confident	90.3	Very high	75 Å²	75	72 Å²	72	35%	0.347	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.2	172.9	-55.5	-89.8	0	0	0	108.4	K210 S217 S219 I220 T222	K210-H212 PolarHBondContact O-CD2 3.28Å; H212-S217 CarbonylContact C-O 3.6Å; H212-S219 PolarHBondContact O-OG 3.1Å; H212-I220 HydrophobicContact CB-CG2 3.99Å; H212-I220 PolarHBondContact N-O 3.08Å; H212-I220 WeakPolarHBondContact O-CG2 3.33Å; H212-I220 PolarHBondContact O-N 2.82Å; H212-T222 PolarHBondContact CD2-OG1 2.81Å; H212-T222 VanDerWaalsContact CD2-OG1 3.23Å; H212-T222 PolarHBondContact NE2-OG1 3.32Å
213	G	84.6	Confident	90.2	Very high	34 Å²	34	67 Å²	67	35%	0.351	41%	0.408	S	S	.	.	S	Bend	trans	170.7	160.2	-179.6	0	0	0	0	0	111	S215 G216 S217	G213-S215 PolarHBondContact O-N 2.65Å; G213-G216 PolarHBondContact O-N 3.15Å; G213-S217 VanDerWaalsContact C-OG 3.27Å; G213-S217 VanDerWaalsContact CA-O 3.29Å; G213-S217 WeakPolarHBondContact CA-O 3.22Å; G213-S217 VanDerWaalsContact CA-OG 3.32Å; G213-S217 WeakPolarHBondContact CA-OG 3.44Å; G213-S217 PolarHBondContact N-O 3.02Å
214	V	89.6	Confident	90	Very high	126 Å²	126	66.7 Å²	66.7	76%	0.764	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-58	134.2	178	-175.9	0	0	0	0	108.5	G216 S217	V214-G216 PolarHBondContact O-N 2.99Å; V214-G216 VanDerWaalsContact O-N 3.17Å; V214-S217 PolarHBondContact N-OG 3.42Å; V214-S217 WeakPolarHBondContact O-CB 3.29Å; V214-S217 PolarHBondContact O-N 3.39Å; V214-S217 VanDerWaalsContact O-N 3.17Å; V214-S217 PolarHBondContact O-OG 3.32Å
215	S	83.4	Confident	89.9	Confident	129 Å²	129	68.9 Å²	68.9	90%	0.902	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	55.2	29.6	-178.7	-54.1	0	0	0	0	115.3	G213	G213-S215 PolarHBondContact O-N 2.65Å
216	G	78.9	Confident	89.9	Confident	66 Å²	66	65.9 Å²	65.9	68%	0.68	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	81.4	13.9	178.1	0	0	0	0	0	114.7	G213 V214	G213-G216 PolarHBondContact O-N 3.15Å; V214-G216 PolarHBondContact O-N 2.99Å; V214-G216 VanDerWaalsContact O-N 3.17Å
217	S	86.1	Confident	90	Very high	51 Å²	51	62.3 Å²	62.3	36%	0.357	37%	0.367	S	S	.	.			trans	-63.3	152.8	171.7	53.3	0	0	0	0	112.3	H212 G213 V214	H212-S217 CarbonylContact C-O 3.6Å; G213-S217 VanDerWaalsContact C-OG 3.27Å; G213-S217 VanDerWaalsContact CA-O 3.29Å; G213-S217 WeakPolarHBondContact CA-O 3.22Å; G213-S217 VanDerWaalsContact CA-OG 3.32Å; G213-S217 WeakPolarHBondContact CA-OG 3.44Å; G213-S217 PolarHBondContact N-O 3.02Å; V214-S217 PolarHBondContact N-OG 3.42Å; V214-S217 WeakPolarHBondContact O-CB 3.29Å; V214-S217 PolarHBondContact O-N 3.39Å; V214-S217 VanDerWaalsContact O-N 3.17Å; V214-S217 PolarHBondContact O-OG 3.32Å
218	C	88.1	Confident	90.3	Very high	68 Å²	68	61.4 Å²	61.4	46%	0.459	36%	0.362	S	S	.	.			trans	-101.3	35	179.3	-67.9	0	0	0	0	112.7	C211 I220	C211-C218 HydrophobicContact CB-CB 3.75Å; C211-C218 WeakPolarHBondContact CB-SG 3.31Å; C211-C218 WeakPolarHBondContact SG-CB 3.42Å; C211-C218 CovalentContact SG-SG 2.02Å; C211-C218 PolarHBondContact SG-SG 2.72Å; C218-I220 PolarHBondContact O-N 3.46Å
219	S	84.5	Confident	90.5	Very high	93 Å²	93	63 Å²	63	65%	0.65	37%	0.37	S	S	*	.	S	Bend	trans	-61.6	-29.5	-179	47.1	0	0	0	0	112.8	H212	H212-S219 PolarHBondContact O-OG 3.1Å
220	I	85.5	Confident	90.8	Very high	56 Å²	56	61 Å²	61	29%	0.287	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.9	166.3	-177.3	172.2	0	0	0	108.4	R153 H212 C218	R153-I220 HydrophobicContact CG-CD1 4.34Å; R153-I220 HydrophobicContact CG-CG1 4.5Å; R153-I220 VanDerWaalsContact CZ-CD1 3.41Å; H212-I220 HydrophobicContact CB-CG2 3.99Å; H212-I220 PolarHBondContact N-O 3.08Å; H212-I220 WeakPolarHBondContact O-CG2 3.33Å; H212-I220 PolarHBondContact O-N 2.82Å; C218-I220 PolarHBondContact O-N 3.46Å
221	R	91.4	Very high	91.1	Very high	97 Å²	97	62.4 Å²	62.4	37%	0.366	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.6	174.2	72.8	-177.2	89	173.8	-0	111.8	N152 R153 C209 K210	N152-R221 HydrophobicContact CB-CG 4.17Å; N152-R221 WeakPolarHBondContact OD1-CD 3.14Å; N152-R221 WeakPolarHBondContact OD1-CG 3.14Å; N152-R221 PolarHBondContact OD1-NE 3.02Å; N152-R221 VanDerWaalsContact OD1-NE 3.12Å; R153-R221 PolarHBondContact N-O 3.39Å; C209-R221 HydrophobicContact CB-CG 4.43Å; K210-R221 CarbonylContact O-C 3.45Å; K210-R221 VanDerWaalsContact O-CA 3.3Å; K210-R221 WeakPolarHBondContact O-CA 3.05Å; K210-R221 WeakPolarHBondContact O-CB 3.08Å
222	T	92.4	Very high	91.4	Very high	32 Å²	32	62.7 Å²	62.7	20%	0.196	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.2	174.6	-53	0	0	0	0	107.9	R153 G155 C209 K210 H212 W224	R153-T222 CarbonylContact O-C 3.55Å; R153-T222 WeakPolarHBondContact O-CA 3.08Å; G155-T222 VanDerWaalsContact C-CG2 3.47Å; G155-T222 VanDerWaalsContact CA-CG2 3.47Å; C209-T222 CarbonylContact C-O 3.19Å; C209-T222 VanDerWaalsContact CA-O 3.31Å; C209-T222 WeakPolarHBondContact CA-O 3.48Å; K210-T222 PolarHBondContact N-O 2.84Å; K210-T222 PolarHBondContact O-N 2.96Å; H212-T222 PolarHBondContact CD2-OG1 2.81Å; H212-T222 VanDerWaalsContact CD2-OG1 3.23Å; H212-T222 PolarHBondContact NE2-OG1 3.32Å; T222-W224 WeakPolarHBondContact O-CZ3 2.96Å
223	C	94.6	Very high	91.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.2	-177.5	-56.6	0	0	0	0	111.7	R153 W154 G155 M207 K208 C209	R153-C223 PolarHBondContact O-N 3.39Å; W154-C223 WeakPolarHBondContact CA-O 3.41Å; W154-C223 HydrophobicContact CE3-CB 4.41Å; W154-C223 HydrophobicContact CZ3-CB 4.34Å; G155-C223 PolarHBondContact N-O 2.82Å; G155-C223 CarbonylContact O-C 3.52Å; M207-C223 HydrophobicContact CG-CB 3.92Å; M207-C223 HydrophobicContact SD-CB 4.11Å; K208-C223 CarbonylContact O-C 3.54Å; K208-C223 WeakPolarHBondContact O-CA 3.43Å; C209-C223 HydrophobicContact CB-CB 4.1Å; C209-C223 WeakPolarHBondContact CB-SG 3.34Å; C209-C223 WeakPolarHBondContact SG-CB 3.4Å; C209-C223 CovalentContact SG-SG 2.04Å; C209-C223 PolarHBondContact SG-SG 3.44Å
224	W	94.9	Very high	92.5	Very high	68 Å²	68	57.7 Å²	57.7	26%	0.258	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.9	172.1	55.7	101.8	0	0	0	110.1	G155 A158 K208 K210 T222	G155-W224 WeakPolarHBondContact O-CB 3.34Å; A158-W224 HydrophobicContact CB-CB 4.29Å; K208-W224 HydrophobicContact CB-CD2 4.48Å; K208-W224 HydrophobicContact CB-CZ2 4.22Å; K208-W224 PolarHBondContact N-O 3.14Å; K208-W224 PolarHBondContact O-N 3.39Å; K210-W224 HydrophobicContact CB-CH2 3.96Å; K210-W224 HydrophobicContact CB-CZ3 3.98Å; T222-W224 WeakPolarHBondContact O-CZ3 2.96Å
225	K	94.1	Very high	92.9	Very high	53 Å²	53	54 Å²	54	23%	0.23	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.2	168.2	-67.2	-71.7	-174	174.2	0	109	P144 E146 A158 D159 L205 E206	P144-K225 HydrophobicContact CG-CG 3.72Å; E146-K225 IonicContact OE1-NZ 3.38Å; A158-K225 VanDerWaalsContact CA-O 3.29Å; A158-K225 WeakPolarHBondContact CA-O 3.35Å; A158-K225 VanDerWaalsContact CB-O 3.27Å; A158-K225 WeakPolarHBondContact CB-O 3.48Å; D159-K225 PolarHBondContact N-O 3.03Å; L205-K225 HydrophobicContact CD1-CB 4.07Å; L205-K225 HydrophobicContact CD2-CB 4Å; L205-K225 HydrophobicContact CD2-CD 4.31Å; L205-K225 HydrophobicContact CD2-CG 4.3Å; L205-K225 HydrophobicContact CG-CB 4.01Å; L205-K225 HydrophobicContact CG-CD 4.39Å; E206-K225 WeakPolarHBondContact O-CA 3.46Å
226	G	95.9	Very high	93.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.9	177.5	0	0	0	0	0	110.8	D159 E206	D159-G226 WeakPolarHBondContact OD2-CA 3.32Å; E206-G226 PolarHBondContact N-O 3.36Å; E206-G226 PolarHBondContact O-N 3.13Å
227	L	97.6	Very high	94.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	144.7	176.8	-63.3	167.2	0	0	0	109.9	A127 D159 L161 L201 L205 K208	A127-L227 HydrophobicContact CB-CD1 3.8Å; D159-L227 HydrophobicContact CB-CD1 4.04Å; D159-L227 HydrophobicContact CB-CG 4Å; D159-L227 PolarHBondContact OD2-N 2.82Å; L161-L227 HydrophobicContact CD1-CD1 4.35Å; L161-L227 HydrophobicContact CD1-CD2 4.02Å; L161-L227 HydrophobicContact CD2-CD2 4.19Å; L201-L227 HydrophobicContact CD1-CD1 4.19Å; L201-L227 HydrophobicContact CD1-CD2 3.96Å; L201-L227 HydrophobicContact CG-CD2 4.23Å; L205-L227 HydrophobicContact CD1-CD2 3.87Å; L205-L227 HydrophobicContact CD1-CG 4.27Å; K208-L227 WeakPolarHBondContact CE-O 3.15Å; K208-L227 PolarHBondContact NZ-O 3.39Å
228	Q	97.9	Very high	95.2	Very high	60 Å²	60	46.7 Å²	46.7	28%	0.28	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-60.5	167.2	165.8	-73.1	175.1	18.1	0	0	111.4	H124 S204 E206 D232	H124-Q228 PolarHBondContact NE2-O 3.14Å; S204-Q228 WeakPolarHBondContact O-CG 3.2Å; S204-Q228 PolarHBondContact O-N 2.91Å; S204-Q228 VanDerWaalsContact O-N 3.08Å; E206-Q228 HydrophobicContact CG-CG 4.27Å; E206-Q228 WeakPolarHBondContact OE2-CG 3.37Å; E206-Q228 PolarHBondContact OE2-NE2 3.37Å; Q228-D232 HydrophobicContact CB-CB 4.39Å
229	E	97.4	Very high	95.6	Very high	86 Å²	86	47.7 Å²	47.7	40%	0.402	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.1	146.5	173.8	-67.3	-58.9	140.7	0	0	110.5	R128 R231 D232 V233	R128-E229 IonicContact CZ-OE1 3.55Å; R128-E229 VanDerWaalsContact NH1-CD 3.31Å; R128-E229 IonicContact NH1-OE1 3.74Å; R128-E229 PolarHBondContact NH1-OE1 3.5Å; R128-E229 IonicContact NH1-OE2 3.65Å; R128-E229 PolarHBondContact NH1-OE2 2.89Å; R128-E229 IonicContact NH2-OE1 2.91Å; E229-R231 PolarHBondContact O-N 2.65Å; E229-D232 PolarHBondContact O-N 2.87Å; E229-V233 PolarHBondContact O-N 3.4Å
230	L	98.2	Very high	96.3	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-27.5	-176.4	-176.4	64.8	0	0	0	112.5	E75 A79 L117 A121 H124 D232 V233 A234	E75-L230 HydrophobicContact CB-CD2 3.88Å; A79-L230 HydrophobicContact CB-CD2 4.19Å; A79-L230 HydrophobicContact CB-CG 4.36Å; L117-L230 HydrophobicContact CD1-CD1 4.23Å; L117-L230 HydrophobicContact CD1-CG 4.5Å; A121-L230 HydrophobicContact CB-CD1 3.91Å; A121-L230 HydrophobicContact CB-CD2 3.7Å; A121-L230 HydrophobicContact CB-CG 4.46Å; H124-L230 HydrophobicContact CB-CD1 4.45Å; L230-D232 VanDerWaalsContact C-N 3.28Å; L230-D232 PolarHBondContact O-N 3.44Å; L230-V233 HydrophobicContact CD1-CB 4.49Å; L230-V233 PolarHBondContact O-N 3.16Å; L230-A234 WeakPolarHBondContact O-CB 3.19Å; L230-A234 PolarHBondContact O-N 3.31Å
231	R	97.4	Very high	96.9	Very high	158 Å²	158	43.3 Å²	43.3	60%	0.596	21%	0.206	S	C	*	.	H	α-helix	trans	-57.5	-41.9	173.8	-180	-171.2	64.1	-159.1	-7.3	111.8	E229 A234 A235	E229-R231 PolarHBondContact O-N 2.65Å; R231-A234 PolarHBondContact O-N 3.43Å; R231-A235 PolarHBondContact O-N 2.9Å
232	D	98.3	Very high	97.1	Very high	54 Å²	54	43.4 Å²	43.4	29%	0.289	21%	0.214	S	C	.	.	H	α-helix	trans	-77.1	-36.5	-173.7	-50.8	-35.3	0	0	0	109.4	Q228 E229 L230 A234 A235 D236	Q228-D232 HydrophobicContact CB-CB 4.39Å; E229-D232 PolarHBondContact O-N 2.87Å; L230-D232 VanDerWaalsContact C-N 3.28Å; L230-D232 PolarHBondContact O-N 3.44Å; D232-A234 VanDerWaalsContact C-N 3.35Å; D232-A234 PolarHBondContact O-N 3.01Å; D232-A235 WeakPolarHBondContact O-CB 3.4Å; D232-A235 PolarHBondContact O-N 3.27Å; D232-D236 PolarHBondContact O-N 3.38Å
233	V	98.6	Very high	97.2	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-43	167.4	-177	0	0	0	0	111.5	A120 A200 L201 E229 L230 A235 D236 L237	A120-V233 HydrophobicContact CB-CG1 4.16Å; A200-V233 HydrophobicContact CB-CG1 4.39Å; L201-V233 HydrophobicContact CD1-CG2 4.43Å; E229-V233 PolarHBondContact O-N 3.4Å; L230-V233 HydrophobicContact CD1-CB 4.49Å; L230-V233 PolarHBondContact O-N 3.16Å; V233-A235 VanDerWaalsContact C-N 3.3Å; V233-A235 PolarHBondContact O-N 2.97Å; V233-D236 PolarHBondContact O-N 3.5Å; V233-L237 HydrophobicContact CG1-CD1 4.38Å; V233-L237 WeakPolarHBondContact O-CG 3.34Å; V233-L237 PolarHBondContact O-N 3.29Å
234	A	98.6	Very high	97.3	Very high	2 Å²	2	46 Å²	46	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-33.5	177.3	0	0	0	0	0	112.3	A79 A83 L117 L230 R231 D232 L237 K238	A79-A234 HydrophobicContact CB-CB 4.31Å; A83-A234 HydrophobicContact CB-CB 4.49Å; L117-A234 HydrophobicContact CD1-CB 3.82Å; L230-A234 WeakPolarHBondContact O-CB 3.19Å; L230-A234 PolarHBondContact O-N 3.31Å; R231-A234 PolarHBondContact O-N 3.43Å; D232-A234 VanDerWaalsContact C-N 3.35Å; D232-A234 PolarHBondContact O-N 3.01Å; A234-L237 PolarHBondContact O-N 3.14Å; A234-K238 WeakPolarHBondContact O-CB 3.45Å; A234-K238 PolarHBondContact O-N 3.36Å
235	A	98.2	Very high	97.3	Very high	50 Å²	50	43.8 Å²	43.8	41%	0.413	23%	0.228	S	C	.	.	H	α-helix	trans	-68.6	-41.2	174.5	0	0	0	0	0	112.2	R231 D232 V233 K238 T239	R231-A235 PolarHBondContact O-N 2.9Å; D232-A235 WeakPolarHBondContact O-CB 3.4Å; D232-A235 PolarHBondContact O-N 3.27Å; V233-A235 VanDerWaalsContact C-N 3.3Å; V233-A235 PolarHBondContact O-N 2.97Å; A235-K238 WeakPolarHBondContact O-CB 3.49Å; A235-K238 PolarHBondContact O-N 2.98Å; A235-T239 PolarHBondContact O-N 2.86Å; A235-T239 VanDerWaalsContact O-N 3.07Å; A235-T239 PolarHBondContact O-OG1 2.68Å; A235-T239 VanDerWaalsContact O-OG1 3.13Å
236	D	98.4	Very high	97.3	Very high	60 Å²	60	43.9 Å²	43.9	32%	0.321	23%	0.228	S	C	.	.	H	α-helix	trans	-59.9	-47.8	170.9	177.7	49.4	0	0	0	111	A200 D232 V233 K238 T239 R240	A200-D236 WeakPolarHBondContact CB-OD2 3.39Å; D232-D236 PolarHBondContact O-N 3.38Å; V233-D236 PolarHBondContact O-N 3.5Å; D236-K238 VanDerWaalsContact C-N 3.27Å; D236-K238 PolarHBondContact O-N 3.29Å; D236-T239 WeakPolarHBondContact O-CB 3.44Å; D236-T239 PolarHBondContact O-N 3.46Å; D236-T239 VanDerWaalsContact O-N 3.07Å; D236-R240 PolarHBondContact O-N 2.85Å; D236-R240 VanDerWaalsContact O-N 3.08Å; D236-R240 IonicContact OD1-NE 2.82Å; D236-R240 IonicContact OD1-NH2 3.85Å; D236-R240 IonicContact OD2-CZ 3.64Å; D236-R240 VanDerWaalsContact OD2-CZ 3.26Å; D236-R240 IonicContact OD2-NE 3.06Å; D236-R240 PolarHBondContact OD2-NE 3.15Å; D236-R240 IonicContact OD2-NH2 2.68Å; D236-R240 PolarHBondContact OD2-NH2 3.23Å
237	L	98.8	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-33.1	176.3	-69.6	178.7	0	0	0	112.9	F113 A116 L117 A120 V196 A200 V233 A234 T239 R240 Y241	F113-L237 HydrophobicContact CD2-CB 4.01Å; F113-L237 HydrophobicContact CE2-CB 3.59Å; A116-L237 HydrophobicContact CB-CD1 4.15Å; A116-L237 HydrophobicContact CB-CD2 4.06Å; L117-L237 HydrophobicContact CB-CD1 4.2Å; L117-L237 HydrophobicContact CD1-CD1 4.4Å; A120-L237 HydrophobicContact CB-CD1 4.39Å; V196-L237 HydrophobicContact CG1-CD2 4.48Å; A200-L237 HydrophobicContact CB-CD2 3.66Å; A200-L237 HydrophobicContact CB-CG 4.16Å; V233-L237 HydrophobicContact CG1-CD1 4.38Å; V233-L237 WeakPolarHBondContact O-CG 3.34Å; V233-L237 PolarHBondContact O-N 3.29Å; A234-L237 PolarHBondContact O-N 3.14Å; L237-T239 VanDerWaalsContact C-N 3.34Å; L237-R240 PolarHBondContact O-N 3.08Å; L237-Y241 WeakPolarHBondContact O-CB 3.34Å; L237-Y241 PolarHBondContact O-N 3.36Å
238	K	98.2	Very high	96.8	Very high	31 Å²	31	46 Å²	46	14%	0.135	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-40.5	174.4	-176.3	-174.9	-177.7	178.2	0	110.7	A83 F84 D86 F113 A234 A235 D236 R240 Y241 L242	A83-K238 WeakPolarHBondContact O-CD 3.4Å; A83-K238 WeakPolarHBondContact O-CE 3.23Å; A83-K238 PolarHBondContact O-NZ 3Å; F84-K238 HydrophobicContact CZ-CG 4.49Å; D86-K238 IonicContact OD1-NZ 3.01Å; D86-K238 PolarHBondContact OD1-NZ 2.88Å; D86-K238 IonicContact OD2-NZ 2.8Å; D86-K238 PolarHBondContact OD2-NZ 3.47Å; F113-K238 HydrophobicContact CE2-CB 4.31Å; A234-K238 WeakPolarHBondContact O-CB 3.45Å; A234-K238 PolarHBondContact O-N 3.36Å; A235-K238 WeakPolarHBondContact O-CB 3.49Å; A235-K238 PolarHBondContact O-N 2.98Å; D236-K238 VanDerWaalsContact C-N 3.27Å; D236-K238 PolarHBondContact O-N 3.29Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 3.44Å; K238-Y241 WeakPolarHBondContact O-CB 3.43Å; K238-Y241 PolarHBondContact O-N 3.01Å; K238-Y241 VanDerWaalsContact O-N 3.12Å; K238-L242 WeakPolarHBondContact O-CG 3.44Å; K238-L242 PolarHBondContact O-N 3.38Å
239	T	97.6	Very high	96.3	Very high	90 Å²	90	46.3 Å²	46.3	55%	0.552	24%	0.242	S	C	*	.	H	α-helix	trans	-59.6	-44.2	174.5	-54.1	0	0	0	0	110.8	A235 D236 L237 Y241 L242 S243	A235-T239 PolarHBondContact O-N 2.86Å; A235-T239 VanDerWaalsContact O-N 3.07Å; A235-T239 PolarHBondContact O-OG1 2.68Å; A235-T239 VanDerWaalsContact O-OG1 3.13Å; D236-T239 WeakPolarHBondContact O-CB 3.44Å; D236-T239 PolarHBondContact O-N 3.46Å; D236-T239 VanDerWaalsContact O-N 3.07Å; L237-T239 VanDerWaalsContact C-N 3.34Å; T239-Y241 VanDerWaalsContact C-N 3.32Å; T239-Y241 PolarHBondContact O-N 3.11Å; T239-L242 PolarHBondContact O-N 2.9Å; T239-S243 PolarHBondContact O-N 2.87Å
240	R	98	Very high	95.6	Very high	42 Å²	42	47 Å²	47	16%	0.158	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-31.3	174.9	-60.6	172.8	-165.6	-121.9	3.9	113.1	D236 L237 K238 S243 A244 S271 L273	D236-R240 PolarHBondContact O-N 2.85Å; D236-R240 VanDerWaalsContact O-N 3.08Å; D236-R240 IonicContact OD1-NE 2.82Å; D236-R240 IonicContact OD1-NH2 3.85Å; D236-R240 IonicContact OD2-CZ 3.64Å; D236-R240 VanDerWaalsContact OD2-CZ 3.26Å; D236-R240 IonicContact OD2-NE 3.06Å; D236-R240 PolarHBondContact OD2-NE 3.15Å; D236-R240 IonicContact OD2-NH2 2.68Å; D236-R240 PolarHBondContact OD2-NH2 3.23Å; L237-R240 PolarHBondContact O-N 3.08Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 3.44Å; R240-S243 CarbonylContact O-C 3.49Å; R240-S243 PolarHBondContact O-OG 3.08Å; R240-A244 PolarHBondContact O-N 2.72Å; R240-A244 VanDerWaalsContact O-N 3.09Å; R240-S271 PolarHBondContact NH1-O 3.32Å; R240-L273 HydrophobicContact CB-CD1 4.08Å; R240-L273 HydrophobicContact CB-CG 4.09Å
241	Y	97.9	Very high	94.8	Very high	14 Å²	14	51.4 Å²	51.4	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-44.5	173.2	161.5	-82.1	0	0	0	110.6	F84 M87 R109 E110 F113 L237 K238 T239 S243 A244	F84-Y241 AromaticContact CE1-CD1 3.86Å; F84-Y241 HydrophobicContact CE1-CD1 3.86Å; F84-Y241 HydrophobicContact CE1-CD2 4.29Å; F84-Y241 AromaticContact CE1-CE1 3.58Å; F84-Y241 HydrophobicContact CE1-CE1 3.58Å; F84-Y241 HydrophobicContact CE1-CE2 4Å; F84-Y241 HydrophobicContact CE1-CG 4.24Å; F84-Y241 AromaticContact CE1-CZ 3.67Å; F84-Y241 AromaticContact CZ-CD1 3.8Å; F84-Y241 HydrophobicContact CZ-CD1 3.8Å; F84-Y241 AromaticContact CZ-CD2 3.9Å; F84-Y241 HydrophobicContact CZ-CD2 3.9Å; F84-Y241 HydrophobicContact CZ-CE1 4Å; F84-Y241 HydrophobicContact CZ-CE2 4.05Å; F84-Y241 AromaticContact CZ-CG 3.79Å; F84-Y241 HydrophobicContact CZ-CG 3.79Å; M87-Y241 HydrophobicContact CE-CE1 4.02Å; R109-Y241 HydrophobicContact CB-CD2 4.29Å; R109-Y241 HydrophobicContact CB-CE2 3.77Å; R109-Y241 VanDerWaalsContact CD-O 3.28Å; R109-Y241 WeakPolarHBondContact CD-O 3.32Å; R109-Y241 HydrophobicContact CG-CD2 3.53Å; R109-Y241 HydrophobicContact CG-CE2 3.4Å; R109-Y241 HydrophobicContact CG-CG 4.25Å; R109-Y241 WeakPolarHBondContact O-CD2 3.45Å; R109-Y241 WeakPolarHBondContact O-CE2 3.23Å; E110-Y241 HydrophobicContact CG-CE2 4.4Å; E110-Y241 PolarHBondContact OE1-OH 2.94Å; F113-Y241 HydrophobicContact CB-CD2 3.82Å; F113-Y241 HydrophobicContact CB-CG 4.44Å; L237-Y241 WeakPolarHBondContact O-CB 3.34Å; L237-Y241 PolarHBondContact O-N 3.36Å; K238-Y241 WeakPolarHBondContact O-CB 3.43Å; K238-Y241 PolarHBondContact O-N 3.01Å; K238-Y241 VanDerWaalsContact O-N 3.12Å; T239-Y241 VanDerWaalsContact C-N 3.32Å; T239-Y241 PolarHBondContact O-N 3.11Å; Y241-S243 PolarHBondContact O-N 3.41Å; Y241-A244 VanDerWaalsContact O-CB 3.3Å; Y241-A244 WeakPolarHBondContact O-CB 3.33Å; Y241-A244 PolarHBondContact O-N 2.74Å; Y241-A244 VanDerWaalsContact O-N 3.15Å
242	L	95.9	Very high	93.7	Very high	99 Å²	99	49.7 Å²	49.7	52%	0.518	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-34.7	-179.4	-67.4	172.8	0	0	0	112	M87 R109 K238 T239	M87-L242 HydrophobicContact CE-CD2 4.26Å; R109-L242 PolarHBondContact NH1-O 3.42Å; K238-L242 WeakPolarHBondContact O-CG 3.44Å; K238-L242 PolarHBondContact O-N 3.38Å; T239-L242 PolarHBondContact O-N 2.9Å
243	S	94.8	Very high	92.8	Very high	77 Å²	77	50.8 Å²	50.8	54%	0.538	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	17.4	177.8	71.8	0	0	0	0	114.5	T239 R240 Y241	T239-S243 PolarHBondContact O-N 2.87Å; R240-S243 CarbonylContact O-C 3.49Å; R240-S243 PolarHBondContact O-OG 3.08Å; Y241-S243 PolarHBondContact O-N 3.41Å
244	A	96.2	Very high	91.7	Very high	9 Å²	9	57.8 Å²	57.8	7%	0.074	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-65.4	146.1	-175.2	0	0	0	0	0	112.4	R109 R240 Y241 L273 Y275	R109-A244 HydrophobicContact CG-CB 3.88Å; R240-A244 PolarHBondContact O-N 2.72Å; R240-A244 VanDerWaalsContact O-N 3.09Å; Y241-A244 VanDerWaalsContact O-CB 3.3Å; Y241-A244 WeakPolarHBondContact O-CB 3.33Å; Y241-A244 PolarHBondContact O-N 2.74Å; Y241-A244 VanDerWaalsContact O-N 3.15Å; A244-L273 VanDerWaalsContact CA-O 3.3Å; A244-L273 WeakPolarHBondContact CA-O 3.32Å; A244-L273 HydrophobicContact CB-CB 3.96Å; A244-L273 WeakPolarHBondContact CB-O 3.21Å; A244-Y275 HydrophobicContact CB-CD1 4.05Å; A244-Y275 HydrophobicContact CB-CE1 4.32Å; A244-Y275 WeakPolarHBondContact O-CE1 3.49Å
245	T	94.9	Very high	90.4	Very high	23 Å²	23	66.2 Å²	66.2	14%	0.141	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.5	-176.5	-77.6	0	0	0	0	112.9	V247 P260 V268 E272 L273 V274 Y275	T245-V247 HydrophobicContact CG2-CG1 4.2Å; T245-P260 HydrophobicContact CG2-CB 4.29Å; T245-V268 HydrophobicContact CG2-CG2 4.32Å; T245-E272 WeakPolarHBondContact CB-OE1 3.37Å; T245-E272 PolarHBondContact OG1-OE1 2.99Å; T245-L273 PolarHBondContact N-O 2.87Å; T245-V274 VanDerWaalsContact O-CA 3.31Å; T245-V274 WeakPolarHBondContact O-CA 3.16Å; T245-Y275 WeakPolarHBondContact O-CD1 3.29Å; T245-Y275 PolarHBondContact O-N 2.93Å
246	K	94.4	Very high	89.4	Confident	55 Å²	55	70.1 Å²	70.1	24%	0.239	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.8	171.7	-167	170.4	-177	169.9	0	110.1	K261 Y275 L276 S278	K246-K261 HydrophobicContact CD-CD 4.28Å; K246-K261 PolarHBondContact O-N 2.86Å; K246-Y275 CarbonylContact C-O 3.51Å; K246-Y275 WeakPolarHBondContact CA-O 3.44Å; K246-Y275 HydrophobicContact CB-CD2 4.3Å; K246-Y275 HydrophobicContact CB-CE1 4.06Å; K246-Y275 HydrophobicContact CB-CE2 3.69Å; K246-Y275 HydrophobicContact CD-CE2 3.85Å; K246-Y275 HydrophobicContact CG-CD2 4.09Å; K246-Y275 HydrophobicContact CG-CE2 3.66Å; K246-L276 WeakPolarHBondContact CE-O 3.49Å; K246-S278 PolarHBondContact NZ-OG 3.06Å
247	V	93.3	Very high	88.6	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.006	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	157.5	-179.7	-61.4	0	0	0	0	111.9	T245 L258 V259 V268 V274 Y275 L276	T245-V247 HydrophobicContact CG2-CG1 4.2Å; V247-L258 HydrophobicContact CB-CB 4.31Å; V247-L258 HydrophobicContact CG2-CB 4.15Å; V247-L258 HydrophobicContact CG2-CD1 4.23Å; V247-L258 HydrophobicContact CG2-CD2 4.23Å; V247-L258 HydrophobicContact CG2-CG 4.44Å; V247-V259 CarbonylContact C-O 3.06Å; V247-V259 WeakPolarHBondContact CA-O 3.32Å; V247-V259 VanDerWaalsContact CB-O 3.32Å; V247-V259 WeakPolarHBondContact CB-O 3.43Å; V247-V268 HydrophobicContact CG1-CG2 3.74Å; V247-V274 HydrophobicContact CG1-CB 3.88Å; V247-V274 HydrophobicContact CG1-CG1 3.72Å; V247-V274 HydrophobicContact CG2-CB 3.92Å; V247-V274 HydrophobicContact CG2-CG2 4.27Å; V247-Y275 PolarHBondContact N-O 3.22Å; V247-L276 HydrophobicContact CG2-CD2 3.92Å; V247-L276 HydrophobicContact CG2-CG 4.5Å
248	V	90.3	Very high	88	Confident	43 Å²	43	72.6 Å²	72.6	26%	0.261	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.8	172.6	-65.8	0	0	0	0	109.7	R250 V259 K261	V248-R250 HydrophobicContact CG2-CG 4.03Å; V248-V259 HydrophobicContact CG2-CG2 3.87Å; V248-V259 PolarHBondContact N-O 3.44Å; V248-V259 PolarHBondContact O-N 3.48Å; V248-K261 HydrophobicContact CG1-CB 4.09Å; V248-K261 HydrophobicContact CG1-CG 3.98Å
249	H	86.9	Confident	87.3	Confident	66 Å²	66	72.5 Å²	72.5	31%	0.306	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.6	179.1	-177	-118.3	0	0	0	109.4	A185 K256 L258	A185-H249 HydrophobicContact CB-CB 3.61Å; H249-K256 VanDerWaalsContact CE1-CD 3.44Å; H249-K256 WeakPolarHBondContact CE1-CD 3.35Å; H249-K256 VanDerWaalsContact NE2-CB 3.34Å; H249-K256 WeakPolarHBondContact NE2-CB 3.46Å; H249-L258 HydrophobicContact CB-CD2 4.19Å
250	R	83.3	Confident	86.7	Confident	100 Å²	100	69 Å²	69	38%	0.377	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143	179.4	-66	-164.8	-165.6	-168	3.9	111.6	V248 H257 V259	V248-R250 HydrophobicContact CG2-CG 4.03Å; R250-H257 PolarHBondContact N-O 2.94Å; R250-H257 PolarHBondContact O-N 2.91Å; R250-V259 HydrophobicContact CB-CG2 3.97Å; R250-V259 HydrophobicContact CG-CG2 3.67Å
251	P	80.8	Confident	85.8	Confident	103 Å²	103	72 Å²	72	67%	0.669	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.4	165.9	29.9	-30.8	0	0	0	109.4
252	M	74.2	Confident	84.9	Confident	123 Å²	123	75.8 Å²	75.8	61%	0.606	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	94.9	173.7	-161.6	166.6	84.4	0	0	107.8	R255	M252-R255 CarbonylContact C-O 3.49Å; M252-R255 PolarHBondContact N-O 3.04Å; M252-R255 PolarHBondContact O-N 3.25Å
253	G	79.4	Confident	83.4	Confident	76 Å²	76	76.6 Å²	76.6	78%	0.784	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	-131.9	-166.9	0	0	0	0	0	111.8	R255	G253-R255 VanDerWaalsContact C-N 3.34Å
254	T	74.8	Confident	82.1	Confident	149 Å²	149	81 Å²	81	91%	0.914	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.2	178.8	56.7	0	0	0	0	113.8
255	R	73	Confident	80.7	Confident	180 Å²	180	84.1 Å²	84.1	68%	0.679	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	149.6	-177.9	-66.5	-175.1	179.8	176.9	1.3	110.6	M252 G253 H257	M252-R255 CarbonylContact C-O 3.49Å; M252-R255 PolarHBondContact N-O 3.04Å; M252-R255 PolarHBondContact O-N 3.25Å; G253-R255 VanDerWaalsContact C-N 3.34Å; R255-H257 WeakPolarHBondContact CB-NE2 3.45Å
256	K	75.8	Confident	80	Confident	132 Å²	132	88.5 Å²	88.5	57%	0.574	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.3	175.5	-56.4	-174.6	-176	178.7	0	108.6	H249	H249-K256 VanDerWaalsContact CE1-CD 3.44Å; H249-K256 WeakPolarHBondContact CE1-CD 3.35Å; H249-K256 VanDerWaalsContact NE2-CB 3.34Å; H249-K256 WeakPolarHBondContact NE2-CB 3.46Å
257	H	82.9	Confident	79.4	Confident	74 Å²	74	91 Å²	91	34%	0.343	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.5	-175	-70.5	-93.6	0	0	0	110.8	R250 R255 V259	R250-H257 PolarHBondContact N-O 2.94Å; R250-H257 PolarHBondContact O-N 2.91Å; R255-H257 WeakPolarHBondContact CB-NE2 3.45Å; H257-V259 HydrophobicContact CB-CG1 4.44Å
258	L	85.4	Confident	79	Confident	37 Å²	37	92.4 Å²	92.4	19%	0.194	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.1	165.2	-65.3	-179.5	0	0	0	107.8	A185 L188 M189 V247 H249 L276	A185-L258 HydrophobicContact CB-CD2 4.29Å; L188-L258 HydrophobicContact CB-CD1 3.67Å; L188-L258 HydrophobicContact CB-CG 3.95Å; L188-L258 HydrophobicContact CD1-CG 4.34Å; M189-L258 HydrophobicContact CB-CD1 3.98Å; V247-L258 HydrophobicContact CB-CB 4.31Å; V247-L258 HydrophobicContact CG2-CB 4.15Å; V247-L258 HydrophobicContact CG2-CD1 4.23Å; V247-L258 HydrophobicContact CG2-CD2 4.23Å; V247-L258 HydrophobicContact CG2-CG 4.44Å; H249-L258 HydrophobicContact CB-CD2 4.19Å; L258-L276 HydrophobicContact CD2-CD2 3.93Å
259	V	84.6	Confident	78.9	Confident	30 Å²	30	95.8 Å²	95.8	18%	0.182	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.6	178.8	-61.9	0	0	0	0	109.5	V247 V248 R250 H257	V247-V259 CarbonylContact C-O 3.06Å; V247-V259 WeakPolarHBondContact CA-O 3.32Å; V247-V259 VanDerWaalsContact CB-O 3.32Å; V247-V259 WeakPolarHBondContact CB-O 3.43Å; V248-V259 HydrophobicContact CG2-CG2 3.87Å; V248-V259 PolarHBondContact N-O 3.44Å; V248-V259 PolarHBondContact O-N 3.48Å; R250-V259 HydrophobicContact CB-CG2 3.97Å; R250-V259 HydrophobicContact CG-CG2 3.67Å; H257-V259 HydrophobicContact CB-CG1 4.44Å
260	P	84.1	Confident	79	Confident	15 Å²	15	98.3 Å²	98.3	10%	0.097	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	142.9	172.4	-24.2	33.8	0	0	0	111.2	T245 D262 I265 V268	T245-P260 HydrophobicContact CG2-CB 4.29Å; P260-D262 VanDerWaalsContact C-N 3.32Å; P260-I265 HydrophobicContact CB-CB 4.12Å; P260-I265 HydrophobicContact CB-CG2 4.34Å; P260-V268 HydrophobicContact CG-CG2 3.83Å
261	K	79.5	Confident	79.4	Confident	105 Å²	105	95.9 Å²	95.9	46%	0.457	51%	0.509	S	S	.	.	S	Bend	trans	-61.9	-45	178.3	-175.4	-176.4	171.7	-162.9	0	111	K246 V248	K246-K261 HydrophobicContact CD-CD 4.28Å; K246-K261 PolarHBondContact O-N 2.86Å; V248-K261 HydrophobicContact CG1-CB 4.09Å; V248-K261 HydrophobicContact CG1-CG 3.98Å
262	D	78.6	Confident	80.1	Confident	94 Å²	94	91.8 Å²	91.8	50%	0.503	48%	0.481	S	S	.	.	S	Bend	trans	-92.5	116.3	179.9	-48.1	-45.6	0	0	0	108	P260 D264 I265	P260-D262 VanDerWaalsContact C-N 3.32Å; D262-D264 PolarHBondContact O-N 2.87Å; D262-I265 HydrophobicContact CB-CD1 3.65Å; D262-I265 HydrophobicContact CB-CG1 3.9Å; D262-I265 VanDerWaalsContact O-CB 3.29Å; D262-I265 WeakPolarHBondContact O-CB 3.43Å; D262-I265 WeakPolarHBondContact O-CG1 3.23Å; D262-I265 PolarHBondContact O-N 3.38Å; D262-I265 VanDerWaalsContact O-N 3.11Å
263	L	64	Low	81.2	Confident	116 Å²	116	85.9 Å²	85.9	61%	0.607	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.3	-168.8	-69.5	164.9	0	0	0	113.4	I265	L263-I265 PolarHBondContact O-N 2.93Å
264	D	67.6	Low	82.1	Confident	169 Å²	169	82.4 Å²	82.4	90%	0.904	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.4	174.1	-55.3	-42.1	0	0	0	112.2	D262	D262-D264 PolarHBondContact O-N 2.87Å
265	I	66.4	Low	83.1	Confident	75 Å²	75	76.5 Å²	76.5	39%	0.385	38%	0.377	S	S	.	.	S	Bend	trans	-83.9	132.9	174.1	-57.2	178.1	0	0	0	108.9	P260 D262 L263	P260-I265 HydrophobicContact CB-CB 4.12Å; P260-I265 HydrophobicContact CB-CG2 4.34Å; D262-I265 HydrophobicContact CB-CD1 3.65Å; D262-I265 HydrophobicContact CB-CG1 3.9Å; D262-I265 VanDerWaalsContact O-CB 3.29Å; D262-I265 WeakPolarHBondContact O-CB 3.43Å; D262-I265 WeakPolarHBondContact O-CG1 3.23Å; D262-I265 PolarHBondContact O-N 3.38Å; D262-I265 VanDerWaalsContact O-N 3.11Å; L263-I265 PolarHBondContact O-N 2.93Å
266	R	81.8	Confident	84.1	Confident	116 Å²	116	69.2 Å²	69.2	44%	0.438	35%	0.351	S	S	.	.			trans	-45.9	155.7	171.3	64	168.5	-179.4	74.8	3.1	112.3	K269 E272	R266-K269 VanDerWaalsContact CZ-CE 3.46Å; R266-K269 VanDerWaalsContact NH1-CG 3.28Å; R266-E272 IonicContact CZ-OE2 3.38Å; R266-E272 IonicContact NH1-OE2 3.37Å; R266-E272 PolarHBondContact NH1-OE2 3.12Å; R266-E272 IonicContact NH2-OE2 3.36Å; R266-E272 PolarHBondContact NH2-OE2 3.32Å
267	P	80.8	Confident	85	Confident	108 Å²	108	65.9 Å²	65.9	70%	0.701	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-50.3	145.1	171.2	-26.7	34.8	0	0	0	112.7	K269	P267-K269 PolarHBondContact O-N 2.92Å
268	V	84.6	Confident	85.5	Confident	30 Å²	30	66.1 Å²	66.1	18%	0.182	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-59.9	130.2	173.7	179.1	0	0	0	0	108.4	T245 V247 P260 E272 V274	T245-V268 HydrophobicContact CG2-CG2 4.32Å; V247-V268 HydrophobicContact CG1-CG2 3.74Å; P260-V268 HydrophobicContact CG-CG2 3.83Å; V268-E272 HydrophobicContact CG1-CB 4.37Å; V268-V274 HydrophobicContact CB-CG1 4.34Å; V268-V274 HydrophobicContact CG1-CG1 3.32Å; V268-V274 HydrophobicContact CG2-CG1 4.08Å
269	K	88.3	Confident	85.9	Confident	113 Å²	113	66.3 Å²	66.3	49%	0.491	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-77	146.9	173.4	-77.4	164.7	-175.1	-176.6	0	110.1	R266 P267 S271 E272	R266-K269 VanDerWaalsContact CZ-CE 3.46Å; R266-K269 VanDerWaalsContact NH1-CG 3.28Å; P267-K269 PolarHBondContact O-N 2.92Å; K269-S271 PolarHBondContact O-N 3.47Å; K269-E272 HydrophobicContact CB-CB 4.06Å; K269-E272 WeakPolarHBondContact O-CB 3.44Å; K269-E272 PolarHBondContact O-N 3.47Å
270	D	89.4	Confident	86.3	Confident	119 Å²	119	66.7 Å²	66.7	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.8	176.2	-64.3	-16.6	0	0	0	113.2	V196 Q199	V196-D270 VanDerWaalsContact CG2-O 3.25Å; V196-D270 WeakPolarHBondContact CG2-O 3.44Å; Q199-D270 PolarHBondContact OE1-O 3.03Å; Q199-D270 VanDerWaalsContact OE1-O 3.06Å
271	S	92.6	Very high	86.8	Confident	50 Å²	50	70.6 Å²	70.6	35%	0.35	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	1.2	178.7	61.7	0	0	0	0	113.9	V196 R240 K269	V196-S271 WeakPolarHBondContact CG1-O 3.38Å; R240-S271 PolarHBondContact NH1-O 3.32Å; K269-S271 PolarHBondContact O-N 3.47Å
272	E	94.3	Very high	87.6	Confident	16 Å²	16	66.4 Å²	66.4	8%	0.075	36%	0.357	C	S	.	.	S	Bend	trans	-105	133.8	-173.2	-170	176.9	157.8	0	0	111.2	H192 V196 T245 R266 V268 K269	H192-E272 PolarHBondContact NE2-O 3.1Å; V196-E272 WeakPolarHBondContact CG2-O 3.14Å; T245-E272 WeakPolarHBondContact CB-OE1 3.37Å; T245-E272 PolarHBondContact OG1-OE1 2.99Å; R266-E272 IonicContact CZ-OE2 3.38Å; R266-E272 IonicContact NH1-OE2 3.37Å; R266-E272 PolarHBondContact NH1-OE2 3.12Å; R266-E272 IonicContact NH2-OE2 3.36Å; R266-E272 PolarHBondContact NH2-OE2 3.32Å; V268-E272 HydrophobicContact CG1-CB 4.37Å; K269-E272 HydrophobicContact CB-CB 4.06Å; K269-E272 WeakPolarHBondContact O-CB 3.44Å; K269-E272 PolarHBondContact O-N 3.47Å
273	L	98.1	Very high	88.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.337	C	S	.	.			trans	-72.2	142.6	174.9	-68.2	178.2	0	0	0	110.8	A116 N193 V196 R240 A244 T245	A116-L273 HydrophobicContact CB-CD2 3.65Å; N193-L273 HydrophobicContact CB-CD2 4.02Å; V196-L273 HydrophobicContact CB-CD2 3.84Å; V196-L273 HydrophobicContact CG1-CD2 3.6Å; V196-L273 HydrophobicContact CG1-CG 4.06Å; V196-L273 HydrophobicContact CG2-CD2 4.31Å; R240-L273 HydrophobicContact CB-CD1 4.08Å; R240-L273 HydrophobicContact CB-CG 4.09Å; A244-L273 VanDerWaalsContact CA-O 3.3Å; A244-L273 WeakPolarHBondContact CA-O 3.32Å; A244-L273 HydrophobicContact CB-CB 3.96Å; A244-L273 WeakPolarHBondContact CB-O 3.21Å; T245-L273 PolarHBondContact N-O 2.87Å
274	V	96.8	Very high	89.9	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.018	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149	178.9	-62.7	0	0	0	0	112.5	A112 M189 H192 N193 T245 V247 V268	A112-V274 WeakPolarHBondContact CB-O 3.31Å; M189-V274 HydrophobicContact CG-CG2 3.93Å; M189-V274 WeakPolarHBondContact CG-O 3.37Å; H192-V274 HydrophobicContact CB-CG2 4.38Å; N193-V274 PolarHBondContact ND2-O 3.28Å; N193-V274 PolarHBondContact OD1-N 3.01Å; N193-V274 PolarHBondContact OD1-O 2.83Å; T245-V274 VanDerWaalsContact O-CA 3.31Å; T245-V274 WeakPolarHBondContact O-CA 3.16Å; V247-V274 HydrophobicContact CG1-CB 3.88Å; V247-V274 HydrophobicContact CG1-CG1 3.72Å; V247-V274 HydrophobicContact CG2-CB 3.92Å; V247-V274 HydrophobicContact CG2-CG2 4.27Å; V268-V274 HydrophobicContact CB-CG1 4.34Å; V268-V274 HydrophobicContact CG1-CG1 3.32Å; V268-V274 HydrophobicContact CG2-CG1 4.08Å
275	Y	96.3	Very high	91.2	Very high	25 Å²	25	60.9 Å²	60.9	10%	0.098	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.7	176.5	69.4	-86.9	0	0	0	111.9	R109 A244 T245 K246 V247 Q277	R109-Y275 HydrophobicContact CB-CD1 4.25Å; R109-Y275 HydrophobicContact CB-CG 4.27Å; R109-Y275 HydrophobicContact CG-CD1 4.17Å; R109-Y275 HydrophobicContact CG-CE1 4.49Å; R109-Y275 PolarHBondContact NH2-OH 3.03Å; R109-Y275 VanDerWaalsContact NH2-OH 3.1Å; A244-Y275 HydrophobicContact CB-CD1 4.05Å; A244-Y275 HydrophobicContact CB-CE1 4.32Å; A244-Y275 WeakPolarHBondContact O-CE1 3.49Å; T245-Y275 WeakPolarHBondContact O-CD1 3.29Å; T245-Y275 PolarHBondContact O-N 2.93Å; K246-Y275 CarbonylContact C-O 3.51Å; K246-Y275 WeakPolarHBondContact CA-O 3.44Å; K246-Y275 HydrophobicContact CB-CD2 4.3Å; K246-Y275 HydrophobicContact CB-CE1 4.06Å; K246-Y275 HydrophobicContact CB-CE2 3.69Å; K246-Y275 HydrophobicContact CD-CE2 3.85Å; K246-Y275 HydrophobicContact CG-CD2 4.09Å; K246-Y275 HydrophobicContact CG-CE2 3.66Å; V247-Y275 PolarHBondContact N-O 3.22Å; Y275-Q277 WeakPolarHBondContact CD2-O 3.18Å
276	L	94.1	Very high	92.5	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.141	32%	0.319	C	S	.	.	S	Bend	trans	-98.3	-36.7	-177.1	-66.7	163.7	0	0	0	111.8	G107 A185 N186 M189 K246 V247 L258	G107-L276 PolarHBondContact O-N 3.33Å; A185-L276 HydrophobicContact CB-CD1 3.91Å; A185-L276 HydrophobicContact CB-CD2 4.06Å; N186-L276 HydrophobicContact CB-CD1 4.43Å; N186-L276 WeakPolarHBondContact OD1-CD1 3.3Å; M189-L276 HydrophobicContact CB-CD1 4.03Å; M189-L276 HydrophobicContact CB-CG 4.34Å; M189-L276 HydrophobicContact CG-CD1 4.37Å; M189-L276 HydrophobicContact CG-CG 4.3Å; M189-L276 HydrophobicContact SD-CB 4.4Å; M189-L276 HydrophobicContact SD-CD1 3.84Å; M189-L276 HydrophobicContact SD-CG 3.85Å; K246-L276 WeakPolarHBondContact CE-O 3.49Å; V247-L276 HydrophobicContact CG2-CD2 3.92Å; V247-L276 HydrophobicContact CG2-CG 4.5Å; L258-L276 HydrophobicContact CD2-CD2 3.93Å
277	Q	94	Very high	92.9	Very high	62 Å²	62	61 Å²	61	29%	0.29	33%	0.326	S	S	.	.	S	Bend	trans	-120.2	139.7	-172.8	-61.3	-163.8	25.7	0	0	111.8	R106 G107 T108 Y275	R106-Q277 VanDerWaalsContact O-CG 3.23Å; R106-Q277 WeakPolarHBondContact O-CG 3.36Å; R106-Q277 PolarHBondContact O-NE2 3.36Å; G107-Q277 PolarHBondContact O-N 3.44Å; T108-Q277 WeakPolarHBondContact CA-O 3.41Å; Y275-Q277 WeakPolarHBondContact CD2-O 3.18Å
278	S	94.4	Very high	93.3	Very high	78 Å²	78	63.9 Å²	63.9	55%	0.545	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.2	141.5	175	-61.1	0	0	0	0	109.8	K246	K246-S278 PolarHBondContact NZ-OG 3.06Å
279	S	94.2	Very high	93.5	Very high	42 Å²	42	64 Å²	64	29%	0.294	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-61.1	145.2	175.3	-54.9	0	0	0	0	110.7	E110	E110-S279 VanDerWaalsContact CD-OG 3.26Å; E110-S279 PolarHBondContact OE1-OG 3.18Å; E110-S279 WeakPolarHBondContact OE2-CB 3.32Å; E110-S279 PolarHBondContact OE2-OG 3.35Å
280	P	92.9	Very high	93.6	Very high	37 Å²	37	58.7 Å²	58.7	24%	0.24	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-69.4	172.5	174	31.7	-35.4	0	0	0	111.2	F282 V289	P280-F282 HydrophobicContact CG-CD1 4.35Å; P280-F282 HydrophobicContact CG-CE1 3.65Å; P280-F282 HydrophobicContact CG-CE2 4.3Å; P280-F282 HydrophobicContact CG-CZ 3.63Å; P280-F282 PolarHBondContact O-N 2.85Å; P280-V289 HydrophobicContact CB-CB 3.76Å; P280-V289 HydrophobicContact CB-CG1 4.41Å; P280-V289 HydrophobicContact CB-CG2 3.88Å; P280-V289 HydrophobicContact CG-CB 4.08Å; P280-V289 HydrophobicContact CG-CG2 4.25Å
281	D	93.4	Very high	93.8	Very high	98 Å²	98	53.1 Å²	53.1	52%	0.524	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-73.8	121.8	167.8	-178.8	20.8	0	0	0	110.6	C283	D281-C283 WeakPolarHBondContact OD1-CB 3.49Å; D281-C283 PolarHBondContact OD1-N 3.21Å; D281-C283 PolarHBondContact OD1-SG 3.27Å
282	F	96.6	Very high	93.9	Very high	17 Å²	17	55.4 Å²	55.4	8%	0.075	28%	0.281	C	S	.	.			trans	-96.1	1.8	178.5	-63.6	-65	0	0	0	113.5	R88 W89 D103 E110 P280 S291 G293	R88-F282 HydrophobicContact CB-CB 3.78Å; W89-F282 HydrophobicContact CB-CD1 4.08Å; W89-F282 HydrophobicContact CB-CD2 3.76Å; W89-F282 HydrophobicContact CB-CE1 4.08Å; W89-F282 HydrophobicContact CB-CE2 3.74Å; W89-F282 HydrophobicContact CB-CG 3.92Å; W89-F282 HydrophobicContact CB-CZ 3.9Å; W89-F282 AromaticContact CD1-CE1 3.45Å; W89-F282 VanDerWaalsContact CD1-CE1 3.45Å; W89-F282 AromaticContact CD1-CZ 3.63Å; W89-F282 HydrophobicContact CG-CD1 4.47Å; W89-F282 HydrophobicContact CG-CE1 4.08Å; W89-F282 HydrophobicContact CG-CE2 4.25Å; W89-F282 AromaticContact CG-CZ 3.95Å; W89-F282 HydrophobicContact CG-CZ 3.95Å; D103-F282 HydrophobicContact CB-CE1 4.08Å; D103-F282 HydrophobicContact CB-CZ 4.17Å; E110-F282 HydrophobicContact CG-CE2 4.17Å; E110-F282 HydrophobicContact CG-CZ 3.93Å; P280-F282 HydrophobicContact CG-CD1 4.35Å; P280-F282 HydrophobicContact CG-CE1 3.65Å; P280-F282 HydrophobicContact CG-CE2 4.3Å; P280-F282 HydrophobicContact CG-CZ 3.63Å; P280-F282 PolarHBondContact O-N 2.85Å; F282-S291 VanDerWaalsContact CA-OG 3.29Å; F282-S291 WeakPolarHBondContact CA-OG 3.33Å; F282-S291 PolarHBondContact O-OG 3.37Å; F282-G293 WeakPolarHBondContact O-CA 3.42Å
283	C	95.9	Very high	93.9	Very high	12 Å²	12	55.1 Å²	55.1	8%	0.081	28%	0.283	C	S	.	.	S	Bend	trans	-70.3	-41.4	-177.9	-70.1	0	0	0	0	113.2	D281 G293 T294 C314 R316	D281-C283 WeakPolarHBondContact OD1-CB 3.49Å; D281-C283 PolarHBondContact OD1-N 3.21Å; D281-C283 PolarHBondContact OD1-SG 3.27Å; C283-G293 WeakPolarHBondContact O-CA 3.49Å; C283-T294 PolarHBondContact O-N 3.12Å; C283-T294 PolarHBondContact O-OG1 2.04Å; C283-C314 VanDerWaalsContact CA-SG 3.56Å; C283-C314 HydrophobicContact CB-CB 3.65Å; C283-C314 WeakPolarHBondContact CB-SG 3Å; C283-C314 WeakPolarHBondContact SG-CB 3.5Å; C283-C314 CovalentContact SG-SG 2.02Å; C283-C314 PolarHBondContact SG-SG 3.44Å; C283-R316 PolarHBondContact O-NH1 3.09Å; C283-R316 VanDerWaalsContact O-NH1 3.13Å
284	M	95.4	Very high	93.8	Very high	115 Å²	115	55.1 Å²	55.1	57%	0.567	28%	0.283	S	S	*	.	S	Bend	trans	-107.1	143.7	-178.5	-63.5	-58.3	-68.4	0	0	110.8	N286 S291	M284-N286 PolarHBondContact O-N 3.46Å; M284-S291 WeakPolarHBondContact O-CB 3.29Å; M284-S291 PolarHBondContact O-OG 3.45Å
285	K	94.8	Very high	93.8	Very high	136 Å²	136	61 Å²	61	59%	0.591	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	123.2	176.2	-174	-178.2	176.2	-165.3	0	109.7	E287	K285-E287 WeakPolarHBondContact CE-OE1 3.37Å; K285-E287 IonicContact NZ-OE1 2.83Å; K285-E287 PolarHBondContact NZ-OE1 2.98Å
286	N	94.3	Very high	93.8	Very high	69 Å²	69	65.2 Å²	65.2	37%	0.369	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	101.8	174.1	-179.4	-17.2	0	0	0	109.2	M284 K288 V289 G290 S291	M284-N286 PolarHBondContact O-N 3.46Å; N286-K288 VanDerWaalsContact C-N 3.26Å; N286-K288 PolarHBondContact O-N 3.48Å; N286-K288 WeakPolarHBondContact OD1-CB 3.49Å; N286-K288 PolarHBondContact OD1-N 3.4Å; N286-V289 HydrophobicContact CB-CG2 3.7Å; N286-V289 WeakPolarHBondContact O-CG2 3.45Å; N286-V289 PolarHBondContact O-N 2.03Å; N286-V289 PolarHBondContact OD1-N 3.45Å; N286-G290 PolarHBondContact O-N 3.37Å; N286-S291 CarbonylContact C-O 3.58Å; N286-S291 PolarHBondContact N-O 2.99Å; N286-S291 PolarHBondContact O-N 3.1Å
287	E	90.3	Very high	93.8	Very high	124 Å²	124	65.7 Å²	65.7	58%	0.579	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.9	-29.3	-176.8	-66.8	176.2	-176.1	0	0	112.3	L101 K285 V289 G290	L101-E287 VanDerWaalsContact CD1-O 3.24Å; L101-E287 WeakPolarHBondContact CD1-O 3.36Å; L101-E287 WeakPolarHBondContact CD2-O 3.48Å; K285-E287 WeakPolarHBondContact CE-OE1 3.37Å; K285-E287 IonicContact NZ-OE1 2.83Å; K285-E287 PolarHBondContact NZ-OE1 2.98Å; E287-V289 VanDerWaalsContact C-N 3.28Å; E287-V289 PolarHBondContact O-N 3Å; E287-G290 PolarHBondContact O-N 3.26Å
288	K	88.5	Confident	93.9	Very high	169 Å²	169	68.2 Å²	68.2	74%	0.735	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-64.4	-36.8	178.4	-65	-179	179	177.4	0	111.6	L102 N286	L102-K288 WeakPolarHBondContact CD1-O 3.47Å; L102-K288 WeakPolarHBondContact CG-O 3.23Å; N286-K288 VanDerWaalsContact C-N 3.26Å; N286-K288 PolarHBondContact O-N 3.48Å; N286-K288 WeakPolarHBondContact OD1-CB 3.49Å; N286-K288 PolarHBondContact OD1-N 3.4Å
289	V	89.7	Confident	94	Very high	32 Å²	32	65.1 Å²	65.1	19%	0.194	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-95.8	0.2	-176.7	-53.1	0	0	0	0	113.6	D103 P280 N286 E287	D103-V289 WeakPolarHBondContact CB-O 3.48Å; D103-V289 PolarHBondContact N-O 3.13Å; P280-V289 HydrophobicContact CB-CB 3.76Å; P280-V289 HydrophobicContact CB-CG1 4.41Å; P280-V289 HydrophobicContact CB-CG2 3.88Å; P280-V289 HydrophobicContact CG-CB 4.08Å; P280-V289 HydrophobicContact CG-CG2 4.25Å; N286-V289 HydrophobicContact CB-CG2 3.7Å; N286-V289 WeakPolarHBondContact O-CG2 3.45Å; N286-V289 PolarHBondContact O-N 2.03Å; N286-V289 PolarHBondContact OD1-N 3.45Å; E287-V289 VanDerWaalsContact C-N 3.28Å; E287-V289 PolarHBondContact O-N 3Å
290	G	89.8	Confident	94.1	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.01	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	14.6	-176.2	0	0	0	0	0	114.8	N286 E287	N286-G290 PolarHBondContact O-N 3.37Å; E287-G290 PolarHBondContact O-N 3.26Å
291	S	94.4	Very high	94.2	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.014	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.9	177.1	179	0	0	0	0	111.5	F282 M284 N286 G293	F282-S291 VanDerWaalsContact CA-OG 3.29Å; F282-S291 WeakPolarHBondContact CA-OG 3.33Å; F282-S291 PolarHBondContact O-OG 3.37Å; M284-S291 WeakPolarHBondContact O-CB 3.29Å; M284-S291 PolarHBondContact O-OG 3.45Å; N286-S291 CarbonylContact C-O 3.58Å; N286-S291 PolarHBondContact N-O 2.99Å; N286-S291 PolarHBondContact O-N 3.1Å; S291-G293 VanDerWaalsContact C-N 3.33Å; S291-G293 PolarHBondContact OG-N 3.16Å
292	H	92.9	Very high	94.2	Very high	98 Å²	98	70.8 Å²	70.8	45%	0.454	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-11.2	170.1	-70	-93.8	0	0	0	112.9	S92	S92-H292 PolarHBondContact OG-CD2 3.44Å; S92-H292 PolarHBondContact OG-NE2 2.51Å
293	G	95.3	Very high	94.2	Very high	11 Å²	11	71.2 Å²	71.2	11%	0.113	35%	0.353	C	S	.	.			trans	77.4	170.9	-170.4	0	0	0	0	0	112.9	F282 C283 S291	F282-G293 WeakPolarHBondContact O-CA 3.42Å; C283-G293 WeakPolarHBondContact O-CA 3.49Å; S291-G293 VanDerWaalsContact C-N 3.33Å; S291-G293 PolarHBondContact OG-N 3.16Å
294	T	96.8	Very high	94	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.391	C	S	.	.	S	Bend	trans	-112.9	4.6	179.3	61.3	0	0	0	0	114.4	R88 C283 R297 M312 R316 C353	R88-T294 HydrophobicContact CB-CG2 3.92Å; R88-T294 HydrophobicContact CG-CG2 3.99Å; C283-T294 PolarHBondContact O-N 3.12Å; C283-T294 PolarHBondContact O-OG1 2.04Å; T294-R297 VanDerWaalsContact O-CB 3.29Å; T294-R297 WeakPolarHBondContact O-CB 3.47Å; T294-R297 WeakPolarHBondContact O-CG 2.95Å; T294-R297 PolarHBondContact O-N 2.85Å; T294-M312 WeakPolarHBondContact CB-O 3.43Å; T294-M312 VanDerWaalsContact CG2-O 3.3Å; T294-M312 WeakPolarHBondContact CG2-O 3.37Å; T294-M312 HydrophobicContact CG2-SD 4.26Å; T294-M312 PolarHBondContact OG1-O 3.3Å; T294-R316 PolarHBondContact OG1-NH2 2.86Å; T294-C353 WeakPolarHBondContact O-CB 3.16Å
295	Q	96	Very high	93.8	Very high	125 Å²	125	74.5 Å²	74.5	58%	0.584	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	139.9	173.3	-173.8	169.6	23.2	0	0	110.7	R297 K354	Q295-R297 PolarHBondContact O-N 3.48Å; Q295-K354 PolarHBondContact NE2-OXT 3.23Å
296	D	95.3	Very high	93.8	Very high	114 Å²	114	69.6 Å²	69.6	61%	0.61	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	10.6	-178.2	-55.8	-46.2	0	0	0	115.5	C353	D296-C353 PolarHBondContact N-O 3.17Å
297	R	95.8	Very high	93.8	Very high	37 Å²	37	68.5 Å²	68.5	14%	0.14	36%	0.357	C	S	.	.			trans	-78	135.5	174.8	-69.1	-163.7	61.9	-176	-8.7	111.2	A85 M87 R88 T294 Q295 M312 V352 C353	A85-R297 PolarHBondContact O-NH2 2.9Å; M87-R297 VanDerWaalsContact O-CZ 3.22Å; M87-R297 PolarHBondContact O-NH1 2.9Å; M87-R297 PolarHBondContact O-NH2 3.08Å; R88-R297 PolarHBondContact O-NH1 3.21Å; T294-R297 VanDerWaalsContact O-CB 3.29Å; T294-R297 WeakPolarHBondContact O-CB 3.47Å; T294-R297 WeakPolarHBondContact O-CG 2.95Å; T294-R297 PolarHBondContact O-N 2.85Å; Q295-R297 PolarHBondContact O-N 3.48Å; R297-M312 HydrophobicContact CB-CG 4.34Å; R297-V352 CarbonylContact O-C 3.56Å; R297-V352 VanDerWaalsContact O-CA 3.3Å; R297-V352 WeakPolarHBondContact O-CA 3.49Å; R297-C353 PolarHBondContact O-N 3.2Å; R297-C353 PolarHBondContact O-SG 3.39Å
298	Q	95.6	Very high	94.1	Very high	115 Å²	115	62.9 Å²	62.9	54%	0.537	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	137.4	170.8	-75	174.1	80.5	0	0	110.4	Y351 V352	Q298-Y351 WeakPolarHBondContact CA-O 2.95Å; Q298-V352 HydrophobicContact CG-CG1 4.13Å
299	C	96.5	Very high	94.5	Very high	14 Å²	14	55 Å²	55	10%	0.095	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.9	175.6	70.1	0	0	0	0	111	D307 C309 M312 C313 Y351	C299-D307 WeakPolarHBondContact CA-O 3.38Å; C299-C309 HydrophobicContact CB-CB 3.84Å; C299-C309 WeakPolarHBondContact CB-SG 3.32Å; C299-C309 VanDerWaalsContact SG-CA 3.5Å; C299-C309 WeakPolarHBondContact SG-CB 3.41Å; C299-C309 CovalentContact SG-SG 2.04Å; C299-C309 PolarHBondContact SG-SG 3.2Å; C299-M312 HydrophobicContact CB-CB 4Å; C299-M312 HydrophobicContact CB-CG 4.23Å; C299-C313 VanDerWaalsContact SG-SG 3.6Å; C299-Y351 PolarHBondContact N-O 3.32Å
300	N	96.1	Very high	94.7	Very high	58 Å²	58	59.5 Å²	59.5	31%	0.31	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-112.6	111.5	-179.4	-173.5	-11	0	0	0	110.7	T302 S303 D307 S308 C309	N300-T302 PolarHBondContact O-N 3.35Å; N300-T302 PolarHBondContact OD1-N 2.99Å; N300-T302 PolarHBondContact OD1-OG1 3.35Å; N300-S303 PolarHBondContact O-N 3.21Å; N300-S303 PolarHBondContact OD1-N 3.39Å; N300-D307 VanDerWaalsContact CB-OD2 3.28Å; N300-D307 WeakPolarHBondContact CB-OD2 3.08Å; N300-D307 PolarHBondContact N-O 3.42Å; N300-D307 PolarHBondContact ND2-OD2 3.37Å; N300-S308 VanDerWaalsContact O-CA 3.31Å; N300-S308 WeakPolarHBondContact O-CA 3.45Å; N300-C309 VanDerWaalsContact C-SG 3.56Å; N300-C309 PolarHBondContact O-N 3.33Å
301	K	94.8	Very high	95	Very high	115 Å²	115	63.2 Å²	63.2	50%	0.5	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.8	179.1	-178.8	178.9	178.6	-173.7	0	113.3	C309 Y318 Y351	K301-C309 PolarHBondContact N-SG 3.07Å; K301-Y318 HydrophobicContact CD-CE2 4.19Å; K301-Y318 WeakPolarHBondContact CD-OH 3.26Å; K301-Y318 WeakPolarHBondContact CE-OH 3.44Å; K301-Y318 HydrophobicContact CG-CE2 4.49Å; K301-Y318 WeakPolarHBondContact CG-OH 2.9Å; K301-Y351 HydrophobicContact CB-CD2 3.84Å; K301-Y351 HydrophobicContact CB-CE2 3.61Å; K301-Y351 HydrophobicContact CD-CE1 4.16Å; K301-Y351 HydrophobicContact CD-CE2 4.03Å; K301-Y351 WeakPolarHBondContact CD-OH 3.11Å; K301-Y351 HydrophobicContact CG-CE2 4.48Å
302	T	94	Very high	95.1	Very high	122 Å²	122	63.2 Å²	63.2	75%	0.748	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-9.9	-177.2	62.1	0	0	0	0	113.9	N300	N300-T302 PolarHBondContact O-N 3.35Å; N300-T302 PolarHBondContact OD1-N 2.99Å; N300-T302 PolarHBondContact OD1-OG1 3.35Å
303	S	95.3	Very high	95.3	Very high	27 Å²	27	58.6 Å²	58.6	19%	0.189	32%	0.318	C	S	.	.			trans	-82.6	145.6	179.7	-175.8	0	0	0	0	111	N300 G305 D307 S308	N300-S303 PolarHBondContact O-N 3.21Å; N300-S303 PolarHBondContact OD1-N 3.39Å; S303-G305 PolarHBondContact OG-N 2.99Å; S303-D307 VanDerWaalsContact CB-OD1 3.28Å; S303-D307 WeakPolarHBondContact CB-OD1 3.4Å; S303-D307 WeakPolarHBondContact CB-OD2 3.09Å; S303-D307 PolarHBondContact OG-OD1 3.18Å; S303-D307 PolarHBondContact OG-OD2 3.29Å; S303-S308 WeakPolarHBondContact O-CB 3.37Å
304	N	92.6	Very high	95.3	Very high	163 Å²	163	59.8 Å²	59.8	87%	0.872	32%	0.324	S	S	*	.			trans	-101.6	3.3	166.6	-66	-6.4	0	0	0	111.9
305	G	91.8	Very high	95.2	Very high	33 Å²	33	63.1 Å²	63.1	34%	0.34	36%	0.359	S	S	.	.	S	Bend	trans	-86.1	-168.5	-179.6	0	0	0	0	0	113.1	S303 D307 S308	S303-G305 PolarHBondContact OG-N 2.99Å; G305-D307 PolarHBondContact O-N 2.91Å; G305-S308 WeakPolarHBondContact O-CB 3.27Å; G305-S308 PolarHBondContact O-N 3.25Å; G305-S308 PolarHBondContact O-OG 3.04Å
306	S	93.3	Very high	95.2	Very high	33 Å²	33	60.8 Å²	60.8	23%	0.231	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.5	179.9	56.3	0	0	0	0	113.9	D86 M87 S308 M312	D86-S306 CarbonylContact O-C 3.51Å; D86-S306 WeakPolarHBondContact O-CB 3.08Å; D86-S306 PolarHBondContact O-OG 3.41Å; D86-S306 PolarHBondContact OD2-OG 3.23Å; M87-S306 WeakPolarHBondContact SD-CB 3.31Å; M87-S306 PolarHBondContact SD-OG 2.02Å; M87-S306 VanDerWaalsContact SD-OG 3.38Å; S306-S308 PolarHBondContact O-N 2.61Å; S306-M312 VanDerWaalsContact O-CE 3.23Å; S306-M312 WeakPolarHBondContact O-CE 3.16Å
307	D	95.3	Very high	95.2	Very high	45 Å²	45	56.6 Å²	56.6	24%	0.241	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.2	173.1	64.4	-39.4	0	0	0	113.5	D86 C299 N300 S303 G305	D86-D307 HydrophobicContact CB-CB 3.93Å; D86-D307 PolarHBondContact O-N 2.93Å; C299-D307 WeakPolarHBondContact CA-O 3.38Å; N300-D307 VanDerWaalsContact CB-OD2 3.28Å; N300-D307 WeakPolarHBondContact CB-OD2 3.08Å; N300-D307 PolarHBondContact N-O 3.42Å; N300-D307 PolarHBondContact ND2-OD2 3.37Å; S303-D307 VanDerWaalsContact CB-OD1 3.28Å; S303-D307 WeakPolarHBondContact CB-OD1 3.4Å; S303-D307 WeakPolarHBondContact CB-OD2 3.09Å; S303-D307 PolarHBondContact OG-OD1 3.18Å; S303-D307 PolarHBondContact OG-OD2 3.29Å; G305-D307 PolarHBondContact O-N 2.91Å
308	S	97.1	Very high	95.3	Very high	7 Å²	7	57.8 Å²	57.8	5%	0.049	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-55.7	142.6	177.9	64	0	0	0	0	111.4	N300 S303 G305 S306 D310 L311 M312	N300-S308 VanDerWaalsContact O-CA 3.31Å; N300-S308 WeakPolarHBondContact O-CA 3.45Å; S303-S308 WeakPolarHBondContact O-CB 3.37Å; G305-S308 WeakPolarHBondContact O-CB 3.27Å; G305-S308 PolarHBondContact O-N 3.25Å; G305-S308 PolarHBondContact O-OG 3.04Å; S306-S308 PolarHBondContact O-N 2.61Å; S308-D310 PolarHBondContact O-N 3Å; S308-L311 PolarHBondContact O-N 3.14Å; S308-L311 WeakPolarHBondContact OG-CB 3.23Å; S308-L311 WeakPolarHBondContact OG-CG 3.48Å; S308-L311 PolarHBondContact OG-N 3.29Å; S308-M312 VanDerWaalsContact O-CB 3.23Å; S308-M312 WeakPolarHBondContact O-CB 3.29Å; S308-M312 PolarHBondContact O-N 3.23Å
309	C	96.7	Very high	95.3	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.027	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-32.1	179	-67.5	0	0	0	0	112.9	C299 N300 K301 C313 Y318	C299-C309 HydrophobicContact CB-CB 3.84Å; C299-C309 WeakPolarHBondContact CB-SG 3.32Å; C299-C309 VanDerWaalsContact SG-CA 3.5Å; C299-C309 WeakPolarHBondContact SG-CB 3.41Å; C299-C309 CovalentContact SG-SG 2.04Å; C299-C309 PolarHBondContact SG-SG 3.2Å; N300-C309 VanDerWaalsContact C-SG 3.56Å; N300-C309 PolarHBondContact O-N 3.33Å; K301-C309 PolarHBondContact N-SG 3.07Å; C309-C313 WeakPolarHBondContact O-CB 3.27Å; C309-C313 PolarHBondContact O-N 3.24Å; C309-C313 PolarHBondContact O-SG 3.39Å; C309-Y318 HydrophobicContact CB-CD1 3.37Å; C309-Y318 HydrophobicContact CB-CE1 3.48Å; C309-Y318 VanDerWaalsContact CB-CE1 3.48Å; C309-Y318 HydrophobicContact CB-CG 3.98Å
310	D	94.5	Very high	95.3	Very high	125 Å²	125	58.9 Å²	58.9	67%	0.668	35%	0.346	S	S	*	.	H	α-helix	trans	-65.5	-41.4	177.6	-62.1	-26	0	0	0	111.6	S308	S308-D310 PolarHBondContact O-N 3Å
311	L	94.8	Very high	95.2	Very high	80 Å²	80	60 Å²	60	42%	0.419	35%	0.347	S	S	.	.	H	α-helix	trans	-80.7	-50.1	177.4	-64.5	-179.7	0	0	0	112.2	R88 S308 C313 C314	R88-L311 PolarHBondContact NE-O 3.04Å; R88-L311 PolarHBondContact NH2-O 2.84Å; S308-L311 PolarHBondContact O-N 3.14Å; S308-L311 WeakPolarHBondContact OG-CB 3.23Å; S308-L311 WeakPolarHBondContact OG-CG 3.48Å; S308-L311 PolarHBondContact OG-N 3.29Å; L311-C313 VanDerWaalsContact C-N 3.34Å; L311-C313 PolarHBondContact O-N 3.27Å; L311-C314 PolarHBondContact O-N 3.16Å
312	M	96.8	Very high	95.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-61.6	-41.4	-176.2	-170.9	58.3	51.7	0	0	111.9	D86 R88 T294 R297 C299 S306 S308 C314	D86-M312 WeakPolarHBondContact O-CE 3.36Å; R88-M312 HydrophobicContact CG-SD 4.47Å; T294-M312 WeakPolarHBondContact CB-O 3.43Å; T294-M312 VanDerWaalsContact CG2-O 3.3Å; T294-M312 WeakPolarHBondContact CG2-O 3.37Å; T294-M312 HydrophobicContact CG2-SD 4.26Å; T294-M312 PolarHBondContact OG1-O 3.3Å; R297-M312 HydrophobicContact CB-CG 4.34Å; C299-M312 HydrophobicContact CB-CB 4Å; C299-M312 HydrophobicContact CB-CG 4.23Å; S306-M312 VanDerWaalsContact O-CE 3.23Å; S306-M312 WeakPolarHBondContact O-CE 3.16Å; S308-M312 VanDerWaalsContact O-CB 3.23Å; S308-M312 WeakPolarHBondContact O-CB 3.29Å; S308-M312 PolarHBondContact O-N 3.23Å; M312-C314 VanDerWaalsContact C-N 3.33Å
313	C	97.2	Very high	95.2	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2	-175.7	-48.7	0	0	0	0	113.7	C299 C309 L311 G315 R316 G317 C353	C299-C313 VanDerWaalsContact SG-SG 3.6Å; C309-C313 WeakPolarHBondContact O-CB 3.27Å; C309-C313 PolarHBondContact O-N 3.24Å; C309-C313 PolarHBondContact O-SG 3.39Å; L311-C313 VanDerWaalsContact C-N 3.34Å; L311-C313 PolarHBondContact O-N 3.27Å; C313-G315 PolarHBondContact O-N 3.41Å; C313-G315 VanDerWaalsContact O-N 3.16Å; C313-R316 WeakPolarHBondContact O-CB 3.34Å; C313-R316 PolarHBondContact O-N 3.2Å; C313-G317 WeakPolarHBondContact CB-O 3.5Å; C313-C353 WeakPolarHBondContact CA-SG 3.32Å; C313-C353 HydrophobicContact CB-CB 3.58Å; C313-C353 WeakPolarHBondContact CB-SG 3.34Å; C313-C353 PolarHBondContact N-SG 3.2Å; C313-C353 VanDerWaalsContact N-SG 3.43Å; C313-C353 WeakPolarHBondContact SG-CA 3.43Å; C313-C353 WeakPolarHBondContact SG-CB 3.49Å; C313-C353 CovalentContact SG-SG 2.04Å; C313-C353 PolarHBondContact SG-SG 2.85Å
314	C	95.9	Very high	95.2	Very high	36 Å²	36	63.2 Å²	63.2	24%	0.243	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	37.1	174.1	-51.8	0	0	0	0	113.6	R88 C283 L311 M312 R316	R88-C314 PolarHBondContact NE-SG 3.01Å; C283-C314 VanDerWaalsContact CA-SG 3.56Å; C283-C314 HydrophobicContact CB-CB 3.65Å; C283-C314 WeakPolarHBondContact CB-SG 3Å; C283-C314 WeakPolarHBondContact SG-CB 3.5Å; C283-C314 CovalentContact SG-SG 2.02Å; C283-C314 PolarHBondContact SG-SG 3.44Å; L311-C314 PolarHBondContact O-N 3.16Å; M312-C314 VanDerWaalsContact C-N 3.33Å; C314-R316 PolarHBondContact O-N 3.28Å
315	G	93.8	Very high	95.3	Very high	71 Å²	71	56.9 Å²	56.9	73%	0.732	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	0.5	-178.7	0	0	0	0	0	116.1	C313 G317	C313-G315 PolarHBondContact O-N 3.41Å; C313-G315 VanDerWaalsContact O-N 3.16Å; G315-G317 PolarHBondContact O-N 2.85Å
316	R	95.6	Very high	95.5	Very high	76 Å²	76	58.9 Å²	58.9	29%	0.287	33%	0.327	S	S	.	.	S	Bend	trans	-71.7	-10.7	176.8	-60.4	-167.5	-58.2	-85	-5	113.7	C283 T294 C313 C314 K354	C283-R316 PolarHBondContact O-NH1 3.09Å; C283-R316 VanDerWaalsContact O-NH1 3.13Å; T294-R316 PolarHBondContact OG1-NH2 2.86Å; C313-R316 WeakPolarHBondContact O-CB 3.34Å; C313-R316 PolarHBondContact O-N 3.2Å; C314-R316 PolarHBondContact O-N 3.28Å; R316-K354 PolarHBondContact NE-O 3.41Å; R316-K354 PolarHBondContact NH2-O 3.03Å; R316-K354 WeakPolarHBondContact O-CD 3.43Å
317	G	95.4	Very high	95.5	Very high	25 Å²	25	61.1 Å²	61.1	26%	0.258	33%	0.333	S	S	.	.			trans	82.2	-178.7	-171.1	0	0	0	0	0	112.9	C313 G315 K354	C313-G317 WeakPolarHBondContact CB-O 3.5Å; G315-G317 PolarHBondContact O-N 2.85Å; G317-K354 PolarHBondContact O-N 3.06Å; G317-K354 VanDerWaalsContact O-N 3.13Å
318	Y	97.3	Very high	95.5	Very high	62 Å²	62	69 Å²	69	24%	0.243	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.9	-174.4	49.9	-89.5	0	0	0	110.8	K301 C309 Y351 V352	K301-Y318 HydrophobicContact CD-CE2 4.19Å; K301-Y318 WeakPolarHBondContact CD-OH 3.26Å; K301-Y318 WeakPolarHBondContact CE-OH 3.44Å; K301-Y318 HydrophobicContact CG-CE2 4.49Å; K301-Y318 WeakPolarHBondContact CG-OH 2.9Å; C309-Y318 HydrophobicContact CB-CD1 3.37Å; C309-Y318 HydrophobicContact CB-CE1 3.48Å; C309-Y318 VanDerWaalsContact CB-CE1 3.48Å; C309-Y318 HydrophobicContact CB-CG 3.98Å; Y318-Y351 AromaticContact CD2-CD1 3.46Å; Y318-Y351 HydrophobicContact CD2-CD1 3.46Å; Y318-Y351 VanDerWaalsContact CD2-CD1 3.46Å; Y318-Y351 HydrophobicContact CD2-CE1 4.26Å; Y318-Y351 AromaticContact CD2-CG 3.87Å; Y318-Y351 HydrophobicContact CD2-CG 3.87Å; Y318-Y351 AromaticContact CE2-CD1 3.59Å; Y318-Y351 HydrophobicContact CE2-CD1 3.59Å; Y318-Y351 AromaticContact CE2-CE1 3.95Å; Y318-Y351 HydrophobicContact CE2-CE1 3.95Å; Y318-Y351 HydrophobicContact CE2-CG 4.11Å; Y318-V352 CarbonylContact C-O 3.45Å; Y318-V352 WeakPolarHBondContact CA-O 3.24Å; Y318-V352 VanDerWaalsContact CB-O 3.26Å; Y318-V352 WeakPolarHBondContact CB-O 3.04Å
319	N	96.6	Very high	95.4	Very high	76 Å²	76	69.5 Å²	69.5	41%	0.406	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129	176.6	-65.2	-36.2	0	0	0	109.6	Y351 V352 K354	N319-Y351 WeakPolarHBondContact O-CA 3.33Å; N319-V352 HydrophobicContact CB-CG2 4.28Å; N319-V352 PolarHBondContact N-O 2.74Å; N319-V352 PolarHBondContact O-N 2.88Å; N319-K354 WeakPolarHBondContact OD1-CE 3.38Å
320	P	96.1	Very high	95.4	Very high	77 Å²	77	75.9 Å²	75.9	50%	0.5	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	146	169.2	31	-32.5	0	0	0	110.7	E349 R350 Y351	P320-E349 HydrophobicContact CB-CG 4.26Å; P320-R350 CarbonylContact C-O 3.43Å; P320-R350 VanDerWaalsContact CA-O 3.32Å; P320-R350 WeakPolarHBondContact CA-O 3.03Å; P320-Y351 HydrophobicContact CB-CD1 3.88Å; P320-Y351 HydrophobicContact CB-CE1 3.81Å
321	Y	94.6	Very high	95.5	Very high	80 Å²	80	73.1 Å²	73.1	31%	0.314	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.7	166.9	74.1	-77.2	0	0	0	110.1	D323 R350 V352	Y321-D323 HydrophobicContact CD2-CB 4.47Å; Y321-D323 HydrophobicContact CE2-CB 3.99Å; Y321-R350 HydrophobicContact CD1-CB 3.92Å; Y321-R350 WeakPolarHBondContact CD1-O 3.28Å; Y321-R350 HydrophobicContact CE1-CB 3.3Å; Y321-R350 HydrophobicContact CE1-CG 4.49Å; Y321-R350 HydrophobicContact CE2-CB 4.16Å; Y321-R350 VanDerWaalsContact CZ-CB 3.47Å; Y321-R350 PolarHBondContact N-O 3.39Å; Y321-R350 PolarHBondContact O-N 3.37Å; Y321-R350 VanDerWaalsContact OH-CD 3.23Å; Y321-R350 WeakPolarHBondContact OH-CD 3.47Å; Y321-V352 HydrophobicContact CD1-CG1 4.31Å; Y321-V352 HydrophobicContact CD1-CG2 4.27Å; Y321-V352 HydrophobicContact CE1-CG1 3.73Å
322	T	95.3	Very high	95.5	Very high	108 Å²	108	76 Å²	76	66%	0.663	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.8	176.6	52.5	0	0	0	0	110.3	T347 V348	T322-T347 HydrophobicContact CG2-CG2 4.03Å; T322-V348 WeakPolarHBondContact CA-O 3.02Å
323	D	93.3	Very high	95.4	Very high	50 Å²	50	82.3 Å²	82.3	27%	0.267	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.9	175.8	-172	24.2	0	0	0	110.1	Y321 T347 V348 R350	Y321-D323 HydrophobicContact CD2-CB 4.47Å; Y321-D323 HydrophobicContact CE2-CB 3.99Å; D323-T347 WeakPolarHBondContact O-CA 3.08Å; D323-V348 HydrophobicContact CB-CG2 3.91Å; D323-V348 PolarHBondContact N-O 3.45Å; D323-V348 WeakPolarHBondContact O-CG2 3.45Å; D323-V348 PolarHBondContact O-N 3.27Å; D323-R350 HydrophobicContact CB-CG 4.46Å; D323-R350 IonicContact OD2-CZ 3.02Å; D323-R350 IonicContact OD2-NE 3.25Å; D323-R350 PolarHBondContact OD2-NE 3.27Å; D323-R350 IonicContact OD2-NH1 3.69Å; D323-R350 IonicContact OD2-NH2 2.82Å; D323-R350 PolarHBondContact OD2-NH2 3.49Å
324	R	95.1	Very high	95.2	Very high	174 Å²	174	85.4 Å²	85.4	66%	0.657	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	105.4	177	-75.2	176.9	84.5	159.6	4	108.6	E345	R324-E345 IonicContact CZ-OE2 3.08Å; R324-E345 IonicContact NE-OE2 3.02Å; R324-E345 PolarHBondContact NE-OE2 3.17Å; R324-E345 IonicContact NH2-OE2 2.68Å; R324-E345 PolarHBondContact NH2-OE2 3.39Å
325	V	94.8	Very high	94.8	Very high	30 Å²	30	94.7 Å²	94.7	18%	0.182	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.6	178.4	179.6	0	0	0	0	108.8	R346 V348	V325-R346 HydrophobicContact CB-CG 4.21Å; V325-R346 PolarHBondContact N-O 3.21Å; V325-R346 PolarHBondContact O-N 3.44Å; V325-V348 HydrophobicContact CG2-CG1 4.39Å; V325-V348 HydrophobicContact CG2-CG2 3.65Å
326	V	95.2	Very high	93.9	Very high	76 Å²	76	96.2 Å²	96.2	46%	0.461	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.4	172.7	-172.6	0	0	0	0	108.6	R343 C344 E345	V326-R343 HydrophobicContact CG1-CB 4.18Å; V326-C344 CarbonylContact C-O 3.49Å; V326-C344 WeakPolarHBondContact CA-O 3.45Å; V326-E345 HydrophobicContact CG2-CG 4.22Å
327	E	94.6	Very high	93.6	Very high	80 Å²	80	98 Å²	98	37%	0.374	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158	179	67	-169.6	-172.8	0	0	111.9	C344 R346	E327-C344 PolarHBondContact N-O 3.41Å; E327-C344 PolarHBondContact O-N 2.02Å; E327-R346 WeakPolarHBondContact OE1-CD 3.23Å; E327-R346 IonicContact OE1-NE 3.37Å; E327-R346 PolarHBondContact OE1-NE 3.28Å; E327-R346 IonicContact OE2-CZ 2.75Å; E327-R346 IonicContact OE2-NE 3.42Å; E327-R346 PolarHBondContact OE2-NE 3.03Å; E327-R346 IonicContact OE2-NH2 2.65Å
328	R	95.4	Very high	93.5	Very high	209 Å²	209	103.1 Å²	103.1	79%	0.789	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.8	172.8	-70.1	-176.5	-179.9	-179	-0	108.1	C341 R342	R328-C341 HydrophobicContact CB-CB 3.84Å; R328-C341 HydrophobicContact CG-CB 4.19Å; R328-R342 WeakPolarHBondContact CA-O 3.43Å
329	C	95.3	Very high	93.4	Very high	18 Å²	18	104.3 Å²	104.3	12%	0.122	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	166.2	-177.1	63.6	0	0	0	0	110.2	C331 R342 C344	C329-C331 PolarHBondContact O-N 3.28Å; C329-C331 VanDerWaalsContact O-N 3.13Å; C329-R342 PolarHBondContact N-O 2.95Å; C329-R342 PolarHBondContact O-N 3.12Å; C329-R342 PolarHBondContact SG-O 2.74Å; C329-C344 HydrophobicContact CB-CB 3.59Å; C329-C344 WeakPolarHBondContact CB-SG 3.41Å; C329-C344 WeakPolarHBondContact SG-CB 3.45Å; C329-C344 PolarHBondContact SG-N 3.17Å; C329-C344 CovalentContact SG-SG 1.99Å; C329-C344 PolarHBondContact SG-SG 2.79Å
330	H	95.8	Very high	93.4	Very high	139 Å²	139	103.5 Å²	103.5	64%	0.644	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.4	43.8	176.9	-55.9	-65.5	0	0	0	112.9	K332	H330-K332 PolarHBondContact O-N 2.02Å
331	C	96.1	Very high	93.4	Very high	67 Å²	67	102 Å²	102	45%	0.453	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.1	-178.3	-65	0	0	0	0	110.6	C329 V339 T340 C341	C329-C331 PolarHBondContact O-N 3.28Å; C329-C331 VanDerWaalsContact O-N 3.13Å; C331-V339 HydrophobicContact CB-CG1 3.81Å; C331-T340 CarbonylContact C-O 3.47Å; C331-T340 VanDerWaalsContact CA-O 3.31Å; C331-T340 WeakPolarHBondContact CA-O 3.3Å; C331-C341 HydrophobicContact CB-CB 4.12Å; C331-C341 WeakPolarHBondContact CB-SG 2.94Å; C331-C341 WeakPolarHBondContact SG-CB 3.29Å; C331-C341 CovalentContact SG-SG 2.04Å; C331-C341 PolarHBondContact SG-SG 2.78Å
332	K	94.8	Very high	93.5	Very high	139 Å²	139	106.6 Å²	106.6	60%	0.604	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.1	173.8	-65.5	-172.3	179.6	-173.2	0	109.2	H330 V339 T340	H330-K332 PolarHBondContact O-N 2.02Å; K332-V339 WeakPolarHBondContact O-CA 3.48Å; K332-T340 PolarHBondContact N-O 2.86Å; K332-T340 PolarHBondContact O-N 3.2Å
333	Y	95.3	Very high	93.6	Very high	135 Å²	135	111.7 Å²	111.7	53%	0.529	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.5	171.3	177	-109.7	0	0	0	109.4	W335 V339	Y333-W335 AromaticContact CE1-CE3 3.74Å; Y333-W335 HydrophobicContact CE1-CE3 3.74Å; Y333-W335 HydrophobicContact CE1-CZ3 4.3Å; Y333-V339 HydrophobicContact CD2-CG2 3.92Å
334	H	93.4	Very high	93.7	Very high	66 Å²	66	111 Å²	111	31%	0.306	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.3	173.8	-66.2	-93.8	0	0	0	108.6	C336 C337 Y338 T340	H334-C336 PolarHBondContact O-N 3.32Å; H334-C337 PolarHBondContact O-N 2.91Å; H334-C337 VanDerWaalsContact O-N 3.12Å; H334-Y338 HydrophobicContact CB-CD1 4.43Å; H334-Y338 HydrophobicContact CB-CD2 4.28Å; H334-Y338 HydrophobicContact CB-CE1 4.04Å; H334-Y338 HydrophobicContact CB-CE2 3.87Å; H334-Y338 AromaticContact CD2-CE2 3.63Å; H334-Y338 AromaticContact CG-CE2 3.73Å; H334-Y338 AromaticContact CG-CZ 3.91Å; H334-Y338 PolarHBondContact N-O 2.97Å; H334-T340 PolarHBondContact CD2-OG1 2.81Å; H334-T340 PolarHBondContact NE2-OG1 2.81Å
335	W	86.3	Confident	93.8	Very high	230 Å²	230	108.3 Å²	108.3	87%	0.871	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	129	171.9	-167.4	-126.9	0	0	0	108.5	Y333	Y333-W335 AromaticContact CE1-CE3 3.74Å; Y333-W335 HydrophobicContact CE1-CE3 3.74Å; Y333-W335 HydrophobicContact CE1-CZ3 4.3Å
336	C	75.8	Confident	93.8	Very high	104 Å²	104	112.4 Å²	112.4	70%	0.703	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	35.5	-155.7	-149.6	0	0	0	0	115.9	H334	H334-C336 PolarHBondContact O-N 3.32Å
337	C	89.8	Confident	93.7	Very high	112 Å²	112	113.4 Å²	113.4	76%	0.757	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	22.4	145.2	-51.7	0	0	0	0	119.6	H334	H334-C337 PolarHBondContact O-N 2.91Å; H334-C337 VanDerWaalsContact O-N 3.12Å
338	Y	92.4	Very high	93.8	Very high	133 Å²	133	110.8 Å²	110.8	52%	0.522	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154.7	170.8	64.2	-85	0	0	0	112.9	H334 T340	H334-Y338 HydrophobicContact CB-CD1 4.43Å; H334-Y338 HydrophobicContact CB-CD2 4.28Å; H334-Y338 HydrophobicContact CB-CE1 4.04Å; H334-Y338 HydrophobicContact CB-CE2 3.87Å; H334-Y338 AromaticContact CD2-CE2 3.63Å; H334-Y338 AromaticContact CG-CE2 3.73Å; H334-Y338 AromaticContact CG-CZ 3.91Å; H334-Y338 PolarHBondContact N-O 2.97Å; Y338-T340 HydrophobicContact CD2-CG2 3.77Å; Y338-T340 HydrophobicContact CE2-CG2 3.65Å
339	V	95.7	Very high	93.7	Very high	87 Å²	87	106.5 Å²	106.5	53%	0.527	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.3	176.1	179.8	0	0	0	0	107.7	C331 K332 Y333	C331-V339 HydrophobicContact CB-CG1 3.81Å; K332-V339 WeakPolarHBondContact O-CA 3.48Å; Y333-V339 HydrophobicContact CD2-CG2 3.92Å
340	T	95.5	Very high	93.7	Very high	60 Å²	60	109.4 Å²	109.4	37%	0.368	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.9	168.9	60.3	0	0	0	0	108.5	C331 K332 H334 Y338	C331-T340 CarbonylContact C-O 3.47Å; C331-T340 VanDerWaalsContact CA-O 3.31Å; C331-T340 WeakPolarHBondContact CA-O 3.3Å; K332-T340 PolarHBondContact N-O 2.86Å; K332-T340 PolarHBondContact O-N 3.2Å; H334-T340 PolarHBondContact CD2-OG1 2.81Å; H334-T340 PolarHBondContact NE2-OG1 2.81Å; Y338-T340 HydrophobicContact CD2-CG2 3.77Å; Y338-T340 HydrophobicContact CE2-CG2 3.65Å
341	C	97.1	Very high	93.8	Very high	45 Å²	45	104.4 Å²	104.4	30%	0.304	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.6	174.6	-57.8	0	0	0	0	109.1	R328 C331	R328-C341 HydrophobicContact CB-CB 3.84Å; R328-C341 HydrophobicContact CG-CB 4.19Å; C331-C341 HydrophobicContact CB-CB 4.12Å; C331-C341 WeakPolarHBondContact CB-SG 2.94Å; C331-C341 WeakPolarHBondContact SG-CB 3.29Å; C331-C341 CovalentContact SG-SG 2.04Å; C331-C341 PolarHBondContact SG-SG 2.78Å
342	R	96.8	Very high	93.8	Very high	177 Å²	177	102.5 Å²	102.5	67%	0.668	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	154.8	165.5	-65.3	-177.9	178.9	-178.2	-2.1	109	R328 C329	R328-R342 WeakPolarHBondContact CA-O 3.43Å; C329-R342 PolarHBondContact N-O 2.95Å; C329-R342 PolarHBondContact O-N 3.12Å; C329-R342 PolarHBondContact SG-O 2.74Å
343	R	96.3	Very high	94	Very high	215 Å²	215	95.9 Å²	95.9	81%	0.811	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.4	166.9	-65.7	-178.5	114.4	175.1	1.9	107.1	V326	V326-R343 HydrophobicContact CG1-CB 4.18Å
344	C	96.3	Very high	94	Very high	35 Å²	35	95 Å²	95	24%	0.236	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	146.6	169.5	-73.6	0	0	0	0	109	V326 E327 C329	V326-C344 CarbonylContact C-O 3.49Å; V326-C344 WeakPolarHBondContact CA-O 3.45Å; E327-C344 PolarHBondContact N-O 3.41Å; E327-C344 PolarHBondContact O-N 2.02Å; C329-C344 HydrophobicContact CB-CB 3.59Å; C329-C344 WeakPolarHBondContact CB-SG 3.41Å; C329-C344 WeakPolarHBondContact SG-CB 3.45Å; C329-C344 PolarHBondContact SG-N 3.17Å; C329-C344 CovalentContact SG-SG 1.99Å; C329-C344 PolarHBondContact SG-SG 2.79Å
345	E	96.3	Very high	94	Very high	117 Å²	117	96.4 Å²	96.4	55%	0.547	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133	170.7	-55.1	-170.4	174.8	0	0	108	R324 V326	R324-E345 IonicContact CZ-OE2 3.08Å; R324-E345 IonicContact NE-OE2 3.02Å; R324-E345 PolarHBondContact NE-OE2 3.17Å; R324-E345 IonicContact NH2-OE2 2.68Å; R324-E345 PolarHBondContact NH2-OE2 3.39Å; V326-E345 HydrophobicContact CG2-CG 4.22Å
346	R	94.9	Very high	94.4	Very high	117 Å²	117	89.4 Å²	89.4	44%	0.442	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.3	168.4	67.2	-177.5	175.2	96.4	5.5	109.8	V325 E327 V348	V325-R346 HydrophobicContact CB-CG 4.21Å; V325-R346 PolarHBondContact N-O 3.21Å; V325-R346 PolarHBondContact O-N 3.44Å; E327-R346 WeakPolarHBondContact OE1-CD 3.23Å; E327-R346 IonicContact OE1-NE 3.37Å; E327-R346 PolarHBondContact OE1-NE 3.28Å; E327-R346 IonicContact OE2-CZ 2.75Å; E327-R346 IonicContact OE2-NE 3.42Å; E327-R346 PolarHBondContact OE2-NE 3.03Å; E327-R346 IonicContact OE2-NH2 2.65Å; R346-V348 HydrophobicContact CG-CG1 4.32Å
347	T	94.9	Very high	95.5	Very high	96 Å²	96	88.6 Å²	88.6	59%	0.589	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	126.2	172.2	-53.1	0	0	0	0	108.2	T322 D323	T322-T347 HydrophobicContact CG2-CG2 4.03Å; D323-T347 WeakPolarHBondContact O-CA 3.08Å
348	V	94.8	Very high	95.8	Very high	25 Å²	25	87.2 Å²	87.2	15%	0.152	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.9	174.3	-63.3	0	0	0	0	110	T322 D323 V325 R346 R350	T322-V348 WeakPolarHBondContact CA-O 3.02Å; D323-V348 HydrophobicContact CB-CG2 3.91Å; D323-V348 PolarHBondContact N-O 3.45Å; D323-V348 WeakPolarHBondContact O-CG2 3.45Å; D323-V348 PolarHBondContact O-N 3.27Å; V325-V348 HydrophobicContact CG2-CG1 4.39Å; V325-V348 HydrophobicContact CG2-CG2 3.65Å; R346-V348 HydrophobicContact CG-CG1 4.32Å; V348-R350 HydrophobicContact CG2-CG 4.12Å
349	E	94.7	Very high	96	Very high	119 Å²	119	84.3 Å²	84.3	56%	0.556	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.5	167.3	-168.4	178.9	-134.6	0	0	109.1	P320 Y351	P320-E349 HydrophobicContact CB-CG 4.26Å; E349-Y351 HydrophobicContact CG-CE1 4.24Å; E349-Y351 PolarHBondContact OE2-OH 3.21Å
350	R	95.6	Very high	96	Very high	80 Å²	80	84.1 Å²	84.1	30%	0.302	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.4	175.2	-69.2	-172.7	-175	-164.9	19.3	109.6	P320 Y321 D323 V348	P320-R350 CarbonylContact C-O 3.43Å; P320-R350 VanDerWaalsContact CA-O 3.32Å; P320-R350 WeakPolarHBondContact CA-O 3.03Å; Y321-R350 HydrophobicContact CD1-CB 3.92Å; Y321-R350 WeakPolarHBondContact CD1-O 3.28Å; Y321-R350 HydrophobicContact CE1-CB 3.3Å; Y321-R350 HydrophobicContact CE1-CG 4.49Å; Y321-R350 HydrophobicContact CE2-CB 4.16Å; Y321-R350 VanDerWaalsContact CZ-CB 3.47Å; Y321-R350 PolarHBondContact N-O 3.39Å; Y321-R350 PolarHBondContact O-N 3.37Å; Y321-R350 VanDerWaalsContact OH-CD 3.23Å; Y321-R350 WeakPolarHBondContact OH-CD 3.47Å; D323-R350 HydrophobicContact CB-CG 4.46Å; D323-R350 IonicContact OD2-CZ 3.02Å; D323-R350 IonicContact OD2-NE 3.25Å; D323-R350 PolarHBondContact OD2-NE 3.27Å; D323-R350 IonicContact OD2-NH1 3.69Å; D323-R350 IonicContact OD2-NH2 2.82Å; D323-R350 PolarHBondContact OD2-NH2 3.49Å; V348-R350 HydrophobicContact CG2-CG 4.12Å
351	Y	96.9	Very high	96.1	Very high	34 Å²	34	85.9 Å²	85.9	13%	0.133	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.8	-176.8	-54.6	-80.8	0	0	0	110.3	Q298 C299 K301 Y318 N319 P320 E349	Q298-Y351 WeakPolarHBondContact CA-O 2.95Å; C299-Y351 PolarHBondContact N-O 3.32Å; K301-Y351 HydrophobicContact CB-CD2 3.84Å; K301-Y351 HydrophobicContact CB-CE2 3.61Å; K301-Y351 HydrophobicContact CD-CE1 4.16Å; K301-Y351 HydrophobicContact CD-CE2 4.03Å; K301-Y351 WeakPolarHBondContact CD-OH 3.11Å; K301-Y351 HydrophobicContact CG-CE2 4.48Å; Y318-Y351 AromaticContact CD2-CD1 3.46Å; Y318-Y351 HydrophobicContact CD2-CD1 3.46Å; Y318-Y351 VanDerWaalsContact CD2-CD1 3.46Å; Y318-Y351 HydrophobicContact CD2-CE1 4.26Å; Y318-Y351 AromaticContact CD2-CG 3.87Å; Y318-Y351 HydrophobicContact CD2-CG 3.87Å; Y318-Y351 AromaticContact CE2-CD1 3.59Å; Y318-Y351 HydrophobicContact CE2-CD1 3.59Å; Y318-Y351 AromaticContact CE2-CE1 3.95Å; Y318-Y351 HydrophobicContact CE2-CE1 3.95Å; Y318-Y351 HydrophobicContact CE2-CG 4.11Å; N319-Y351 WeakPolarHBondContact O-CA 3.33Å; P320-Y351 HydrophobicContact CB-CD1 3.88Å; P320-Y351 HydrophobicContact CB-CE1 3.81Å; E349-Y351 HydrophobicContact CG-CE1 4.24Å; E349-Y351 PolarHBondContact OE2-OH 3.21Å
352	V	97.1	Very high	96	Very high	27 Å²	27	89 Å²	89	16%	0.164	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.7	173	-74.6	0	0	0	0	110.6	R297 Q298 Y318 N319 Y321	R297-V352 CarbonylContact O-C 3.56Å; R297-V352 VanDerWaalsContact O-CA 3.3Å; R297-V352 WeakPolarHBondContact O-CA 3.49Å; Q298-V352 HydrophobicContact CG-CG1 4.13Å; Y318-V352 CarbonylContact C-O 3.45Å; Y318-V352 WeakPolarHBondContact CA-O 3.24Å; Y318-V352 VanDerWaalsContact CB-O 3.26Å; Y318-V352 WeakPolarHBondContact CB-O 3.04Å; N319-V352 HydrophobicContact CB-CG2 4.28Å; N319-V352 PolarHBondContact N-O 2.74Å; N319-V352 PolarHBondContact O-N 2.88Å; Y321-V352 HydrophobicContact CD1-CG1 4.31Å; Y321-V352 HydrophobicContact CD1-CG2 4.27Å; Y321-V352 HydrophobicContact CE1-CG1 3.73Å
353	C	97.4	Very high	95.9	Very high	0 Å²	0	81.7 Å²	81.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142.2	178	-61	0	0	0	0	112.4	T294 D296 R297 C313	T294-C353 WeakPolarHBondContact O-CB 3.16Å; D296-C353 PolarHBondContact N-O 3.17Å; R297-C353 PolarHBondContact O-N 3.2Å; R297-C353 PolarHBondContact O-SG 3.39Å; C313-C353 WeakPolarHBondContact CA-SG 3.32Å; C313-C353 HydrophobicContact CB-CB 3.58Å; C313-C353 WeakPolarHBondContact CB-SG 3.34Å; C313-C353 PolarHBondContact N-SG 3.2Å; C313-C353 VanDerWaalsContact N-SG 3.43Å; C313-C353 WeakPolarHBondContact SG-CA 3.43Å; C313-C353 WeakPolarHBondContact SG-CB 3.49Å; C313-C353 CovalentContact SG-SG 2.04Å; C313-C353 PolarHBondContact SG-SG 2.85Å
354	K	95.8	Very high	95.9	Very high	115 Å²	115	69.5 Å²	69.5	50%	0.5	33%	0.329	S	S	.	.			trans	-69.2	0	174.4	-70.7	177.8	178.7	180	0	113.3	Q295 R316 G317 N319	Q295-K354 PolarHBondContact NE2-OXT 3.23Å; R316-K354 PolarHBondContact NE-O 3.41Å; R316-K354 PolarHBondContact NH2-O 3.03Å; R316-K354 WeakPolarHBondContact O-CD 3.43Å; G317-K354 PolarHBondContact O-N 3.06Å; G317-K354 VanDerWaalsContact O-N 3.13Å; N319-K354 WeakPolarHBondContact OD1-CE 3.38Å

Retrieved 354 of 354 residues in 434.6 ms (Link to these results)

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