A0A096NIC2_PAPAN Loading...

2'-deoxynucleoside 5'-phosphate N-hydrolase 1

Catalyzes the cleavage of the N-glycosidic bond of deoxyribonucleoside 5'-monophosphates to yield deoxyribose 5-phosphate and a purine or pyrimidine base. Deoxyribonucleoside 5'-monophosphates containing purine bases are preferred to those containing pyrimidine bases. Part of a nucleotide salvage pathway that eliminates epigenetically modified 5-hydroxymethyl-dCMP (hmdCMP) in a two-step process entailing deamination to cytotoxic 5-hydroxymethyl-dUMP (hmdUMP), followed by its hydrolysis into 5-hydroxymethyluracil (hmU) and 2-deoxy-D-ribose 5-phosphate (deoxyribosephosphate). Catalyzes the second step in that pathway, the hydrolysis of the N-glycosidic bond in hmdUMP, degrading this cytotoxic nucleotide to avoid its genomic integration.

AlphaFold DB , UniProt , Accession A0A096NIC2, Species PAPAN (Papio anubis, Olive baboon), Gene DNPH1, Length 174 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	43.1	Very low	37.8	Very low	250 Å²	250	164 Å²	164	100%	1.232	89%	0.886	S	S	*	*				0	118.7	0	-77.4	-72.8	-164.2	0	0	107.7
2	A	37.2	Very low	37.7	Very low	104 Å²	104	159.3 Å²	159.3	86%	0.86	88%	0.875	S	S	*	*			trans	-80.7	153.7	-160.1	0	0	0	0	0	114.7
3	A	37.6	Very low	37.5	Very low	101 Å²	101	152.3 Å²	152.3	84%	0.835	86%	0.862	S	S	*	*			trans	-75.6	134.3	176.9	0	0	0	0	0	112.4
4	A	38.2	Very low	37.6	Very low	104 Å²	104	155.6 Å²	155.6	86%	0.86	87%	0.866	S	S	*	*			trans	-95.6	107.5	170	0	0	0	0	0	110.1
5	R	38.3	Very low	37.9	Very low	238 Å²	238	156.4 Å²	156.4	90%	0.898	87%	0.867	S	S	*	*			trans	-92.6	115.1	166.4	-98.3	-178.7	169.7	-168.4	-3.3	108.8	R7	R5-R7 PolarHBondContact O-N 2.82Å
6	V	41.6	Very low	38.1	Very low	144 Å²	144	150.8 Å²	150.8	87%	0.873	86%	0.855	S	S	*	*			trans	-70.1	110.1	167.2	174.8	0	0	0	0	108.1
7	R	37.9	Very low	38.6	Very low	237 Å²	237	150.5 Å²	150.5	89%	0.894	85%	0.846	S	S	*	*			trans	-83.1	108.2	168.6	-78	-176.6	175.9	-168.4	-1.5	108.5	R5 R9	R5-R7 PolarHBondContact O-N 2.82Å; R7-R9 PolarHBondContact O-N 2.96Å
8	G	34	Very low	39.4	Very low	73 Å²	73	149.1 Å²	149.1	75%	0.753	85%	0.847	S	S	*	*			trans	-61.7	122.5	163.4	0	0	0	0	0	109.4	S10	G8-S10 PolarHBondContact O-N 3.39Å
9	R	36.4	Very low	41.2	Very low	243 Å²	243	145.2 Å²	145.2	92%	0.917	84%	0.843	S	S	*	*			trans	-64.6	112.9	172.6	-84.4	175.7	165	179	-5.9	108.7	R7 K11	R7-R9 PolarHBondContact O-N 2.96Å; R9-K11 PolarHBondContact O-N 3.15Å
10	S	33.4	Very low	43.4	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	82%	0.822	S	S	*	*			trans	-63.4	120	159	-173.3	0	0	0	0	107.6	G8 S12	G8-S10 PolarHBondContact O-N 3.39Å; S10-S12 VanDerWaalsContact C-N 3.34Å; S10-S12 PolarHBondContact O-N 2.94Å; S10-S12 VanDerWaalsContact O-N 3.14Å
11	K	38.2	Very low	45.8	Very low	205 Å²	205	138 Å²	138	89%	0.891	79%	0.791	S	S	*	*			trans	-77.1	92.3	167.8	-80.7	-161.2	172.2	-170.2	0	107.3	R9 G13	R9-K11 PolarHBondContact O-N 3.15Å; K11-G13 PolarHBondContact O-N 2.76Å
12	S	36.7	Very low	48.4	Very low	108 Å²	108	126.8 Å²	126.8	76%	0.755	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-55.1	125.3	163.5	-25.1	0	0	0	0	108.3	S10	S10-S12 VanDerWaalsContact C-N 3.34Å; S10-S12 PolarHBondContact O-N 2.94Å; S10-S12 VanDerWaalsContact O-N 3.14Å
13	G	34.4	Very low	51.3	Low	68 Å²	68	121.9 Å²	121.9	70%	0.701	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-56.3	151.9	171.7	0	0	0	0	0	111.4	K11 L15	K11-G13 PolarHBondContact O-N 2.76Å; G13-L15 PolarHBondContact O-N 3.41Å
14	E	38.8	Very low	54.2	Low	198 Å²	198	117.1 Å²	117.1	93%	0.925	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-52	122.3	-172	-69.3	167.1	147.2	0	0	112	G16	E14-G16 PolarHBondContact O-N 2.98Å
15	L	42.3	Very low	57	Low	168 Å²	168	112.1 Å²	112.1	88%	0.88	62%	0.617	S	S	*	*			trans	-62.9	114.7	169.3	-71.6	152.7	0	0	0	107.7	G13	G13-L15 PolarHBondContact O-N 3.41Å
16	G	42.2	Very low	59.9	Low	66 Å²	66	100.8 Å²	100.8	68%	0.68	58%	0.575	S	S	*	*			trans	-54.5	146.1	159.1	0	0	0	0	0	109.4	E14 S18	E14-G16 PolarHBondContact O-N 2.98Å; G16-S18 PolarHBondContact O-N 2.95Å
17	E	45.3	Very low	62.5	Low	147 Å²	147	94.2 Å²	94.2	69%	0.687	54%	0.536	S	S	*	.			trans	-48	107.6	-176.9	-70.2	-175.2	145	0	0	111.1	G19	E17-G19 PolarHBondContact O-N 3Å
18	S	53.4	Low	65.2	Low	125 Å²	125	83 Å²	83	87%	0.874	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	106.6	-178.6	151.7	0	0	0	0	110	G16	G16-S18 PolarHBondContact O-N 2.95Å
19	G	73.6	Confident	67.9	Low	75 Å²	75	81 Å²	81	77%	0.773	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	128.2	-3.1	166.9	0	0	0	0	0	116.7	E17	E17-G19 PolarHBondContact O-N 3Å
20	R	86.1	Confident	70.5	Confident	112 Å²	112	76.4 Å²	76.4	42%	0.423	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-87.1	137.1	175.6	-63.8	-170.2	70.7	-170.6	-4.4	111.2	R47	R20-R47 PolarHBondContact NH2-O 2.99Å
21	P	94.1	Very high	73.1	Confident	26 Å²	26	73 Å²	73	17%	0.169	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-59.3	148.7	176.4	-25.3	36	0	0	0	112.7	G50 T51 D88 P163	P21-G50 CarbonylContact O-C 3.6Å; P21-G50 WeakPolarHBondContact O-CA 3.32Å; P21-T51 PolarHBondContact O-N 3.49Å; P21-D88 VanDerWaalsContact CA-OD2 3.26Å; P21-D88 WeakPolarHBondContact CA-OD2 3.49Å; P21-P163 HydrophobicContact CB-CB 3.63Å; P21-P163 HydrophobicContact CB-CG 4.05Å; P21-P163 HydrophobicContact CG-CB 3.82Å; P21-P163 HydrophobicContact CG-CG 3.92Å; P21-P163 VanDerWaalsContact CG-O 3.31Å; P21-P163 WeakPolarHBondContact CG-O 3.46Å
22	A	96.4	Very high	75.6	Confident	16 Å²	16	63.9 Å²	63.9	13%	0.132	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.6	176.4	0	0	0	0	0	110.7	L53 D88 V89	A22-L53 HydrophobicContact CB-CD1 4.2Å; A22-L53 HydrophobicContact CB-CG 4.44Å; A22-D88 PolarHBondContact N-OD2 2.92Å; A22-D88 PolarHBondContact O-N 2.65Å; A22-V89 PolarHBondContact O-N 2.85Å
23	L	98	Very high	78.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138	177.5	-57.2	106.3	0	0	0	110.3	L46 F49 T51 V52 L53 V89 F158	L23-L46 HydrophobicContact CD2-CD2 4.22Å; L23-F49 HydrophobicContact CD2-CB 4.47Å; L23-T51 PolarHBondContact N-O 3.41Å; L23-V52 CarbonylContact O-C 3.52Å; L23-V52 WeakPolarHBondContact O-CA 3.39Å; L23-L53 PolarHBondContact O-N 3.39Å; L23-V89 WeakPolarHBondContact CA-O 3.28Å; L23-F158 HydrophobicContact CD2-CE1 3.7Å; L23-F158 HydrophobicContact CD2-CE2 4.25Å; L23-F158 HydrophobicContact CD2-CZ 3.38Å
24	Y	98.3	Very high	80.9	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.4	172.7	-165.9	-77.8	0	0	0	109.3	C26 T54 D80 W83 L84 V89 V90 V91 E104	Y24-C26 VanDerWaalsContact CE1-SG 3.54Å; Y24-T54 HydrophobicContact CD1-CG2 4.18Å; Y24-T54 HydrophobicContact CD2-CG2 3.68Å; Y24-T54 HydrophobicContact CE1-CG2 3.85Å; Y24-T54 HydrophobicContact CE2-CG2 3.32Å; Y24-T54 HydrophobicContact CG-CG2 4.1Å; Y24-T54 VanDerWaalsContact CZ-CG2 3.42Å; Y24-D80 WeakPolarHBondContact CE2-O 3.31Å; Y24-D80 WeakPolarHBondContact OH-CB 3.3Å; Y24-W83 HydrophobicContact CD2-CB 3.99Å; Y24-W83 HydrophobicContact CE2-CB 3.84Å; Y24-L84 HydrophobicContact CD1-CD1 3.8Å; Y24-L84 HydrophobicContact CD2-CB 4.07Å; Y24-L84 HydrophobicContact CD2-CD1 4.03Å; Y24-L84 HydrophobicContact CE1-CD1 4.13Å; Y24-L84 HydrophobicContact CE2-CB 3.95Å; Y24-L84 HydrophobicContact CE2-CD1 4.32Å; Y24-L84 HydrophobicContact CG-CD1 3.75Å; Y24-V89 PolarHBondContact N-O 2.74Å; Y24-V90 HydrophobicContact CD1-CG1 4.41Å; Y24-V90 CarbonylContact O-C 3.26Å; Y24-V90 WeakPolarHBondContact O-CA 3.27Å; Y24-V91 PolarHBondContact O-N 2.96Å; Y24-E104 HydrophobicContact CE1-CG 4.49Å; Y24-E104 WeakPolarHBondContact CE1-OE1 3.3Å; Y24-E104 PolarHBondContact OH-OE1 3.07Å
25	F	98.4	Very high	83.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.7	175.8	177.8	-104.6	0	0	0	111.1	Y39 I42 V43 L46 V52 T54 V57 V91 E93	F25-Y39 HydrophobicContact CE1-CD1 4.21Å; F25-Y39 AromaticContact CE1-CG 3.94Å; F25-Y39 HydrophobicContact CE1-CG 3.94Å; F25-Y39 AromaticContact CZ-CD1 3.8Å; F25-Y39 HydrophobicContact CZ-CD1 3.8Å; F25-Y39 HydrophobicContact CZ-CG 4Å; F25-I42 HydrophobicContact CD2-CG2 3.69Å; F25-I42 HydrophobicContact CE2-CB 4.09Å; F25-I42 HydrophobicContact CE2-CD1 4.16Å; F25-I42 HydrophobicContact CE2-CG2 3.39Å; F25-I42 HydrophobicContact CZ-CB 4.37Å; F25-I42 HydrophobicContact CZ-CD1 4.26Å; F25-I42 HydrophobicContact CZ-CG2 4.15Å; F25-V43 HydrophobicContact CB-CG2 4.23Å; F25-V43 HydrophobicContact CD1-CG2 3.57Å; F25-V43 HydrophobicContact CE1-CG2 4.11Å; F25-V43 HydrophobicContact CG-CG2 3.89Å; F25-L46 HydrophobicContact CB-CD1 4.11Å; F25-L46 HydrophobicContact CD2-CD1 3.97Å; F25-L46 HydrophobicContact CG-CD1 4.34Å; F25-V52 HydrophobicContact CB-CG1 4.24Å; F25-T54 WeakPolarHBondContact CA-OG1 3.27Å; F25-T54 PolarHBondContact N-OG1 2.84Å; F25-T54 WeakPolarHBondContact O-CB 3.32Å; F25-T54 PolarHBondContact O-OG1 3.48Å; F25-V57 HydrophobicContact CD1-CB 4.33Å; F25-V57 HydrophobicContact CD1-CG1 4.14Å; F25-V57 HydrophobicContact CE1-CG1 4.01Å; F25-V91 CarbonylContact C-O 3.51Å; F25-V91 VanDerWaalsContact CA-O 3.26Å; F25-V91 WeakPolarHBondContact CA-O 3.42Å; F25-V91 HydrophobicContact CD2-CB 4.44Å; F25-V91 HydrophobicContact CD2-CG1 4.39Å; F25-V91 WeakPolarHBondContact CD2-O 3.41Å; F25-E93 HydrophobicContact CE2-CB 4.3Å; F25-E93 HydrophobicContact CZ-CB 4.12Å
26	C	97.9	Very high	85.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.8	173.1	-57.8	0	0	0	0	110.1	Y24 V91 A92 E93 V101 E104	Y24-C26 VanDerWaalsContact CE1-SG 3.54Å; C26-V91 PolarHBondContact N-O 2.85Å; C26-A92 HydrophobicContact CB-CB 3.68Å; C26-A92 WeakPolarHBondContact O-CA 3.33Å; C26-E93 PolarHBondContact O-N 2.75Å; C26-V101 HydrophobicContact CB-CG1 3.98Å; C26-V101 HydrophobicContact CB-CG2 4.23Å; C26-E104 WeakPolarHBondContact CB-OE2 3.34Å; C26-E104 PolarHBondContact SG-OE2 3.37Å
27	G	96.6	Very high	88.4	Confident	6 Å²	6	50 Å²	50	6%	0.062	28%	0.278	C	S	.	.			trans	-151.7	150.3	172.9	0	0	0	0	0	110.6	I29 V101	G27-I29 PolarHBondContact O-N 3.35Å; G27-V101 VanDerWaalsContact C-CG2 3.5Å
28	S	95.4	Very high	90.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.			trans	-63.6	134.8	179.7	177.3	0	0	0	0	111.8	G31 G32 Y39	S28-G31 WeakPolarHBondContact OG-CA 3.41Å; S28-G32 CarbonylContact C-O 3.58Å; S28-G32 VanDerWaalsContact C-O 3.26Å; S28-G32 VanDerWaalsContact CB-O 3.28Å; S28-G32 WeakPolarHBondContact CB-O 3.37Å; S28-G32 PolarHBondContact OG-N 3.01Å; S28-G32 VanDerWaalsContact OG-N 3.15Å; S28-G32 PolarHBondContact OG-O 2.92Å; S28-Y39 PolarHBondContact N-OH 3.25Å; S28-Y39 VanDerWaalsContact N-OH 3.16Å; S28-Y39 VanDerWaalsContact O-CE2 3.31Å; S28-Y39 WeakPolarHBondContact O-CE2 3.22Å
29	I	90.6	Very high	92.8	Very high	33 Å²	33	37.1 Å²	37.1	17%	0.169	20%	0.204	C	C	.	.	S	Bend	trans	-118.5	-80	172.2	-57.8	177.2	0	0	0	109.2	G27 G31 G32 R33 V57	G27-I29 PolarHBondContact O-N 3.35Å; I29-G31 PolarHBondContact O-N 2.8Å; I29-G32 CarbonylContact O-C 3.43Å; I29-G32 PolarHBondContact O-N 3.49Å; I29-G32 VanDerWaalsContact O-N 3.12Å; I29-R33 WeakPolarHBondContact O-CG 3.43Å; I29-V57 HydrophobicContact CD1-CG1 4.3Å; I29-V57 HydrophobicContact CD1-CG2 4.25Å; I29-V57 HydrophobicContact CG1-CG1 4.29Å
30	R	89.9	Confident	93.9	Very high	145 Å²	145	37.2 Å²	37.2	55%	0.547	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-19	179.4	-66.3	-177.8	-178.2	169.1	4.2	113	G32 R65 D73	R30-G32 VanDerWaalsContact C-N 3.28Å; R30-R65 PolarHBondContact NE-O 3.12Å; R30-D73 IonicContact CZ-OD1 3Å; R30-D73 IonicContact CZ-OD2 3.56Å; R30-D73 IonicContact NH1-OD1 2.91Å; R30-D73 PolarHBondContact NH1-OD1 3.02Å; R30-D73 IonicContact NH1-OD2 3.33Å; R30-D73 PolarHBondContact NH1-OD2 3.23Å; R30-D73 IonicContact NH2-OD1 2.77Å; R30-D73 PolarHBondContact NH2-OD1 2.94Å; R30-D73 IonicContact NH2-OD2 2.84Å
31	G	89	Confident	94.4	Very high	33 Å²	33	35.4 Å²	35.4	34%	0.34	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.2	174.8	0	0	0	0	0	114.4	S28 I29 Q96	S28-G31 WeakPolarHBondContact OG-CA 3.41Å; I29-G31 PolarHBondContact O-N 2.8Å; G31-Q96 PolarHBondContact O-NE2 3.34Å
32	G	89.3	Confident	94.6	Very high	15 Å²	15	34.2 Å²	34.2	16%	0.155	17%	0.17	C	C	.	.			trans	135.4	141.7	-173.3	0	0	0	0	0	111	S28 I29 R30 E34	S28-G32 CarbonylContact C-O 3.58Å; S28-G32 VanDerWaalsContact C-O 3.26Å; S28-G32 VanDerWaalsContact CB-O 3.28Å; S28-G32 WeakPolarHBondContact CB-O 3.37Å; S28-G32 PolarHBondContact OG-N 3.01Å; S28-G32 VanDerWaalsContact OG-N 3.15Å; S28-G32 PolarHBondContact OG-O 2.92Å; I29-G32 CarbonylContact O-C 3.43Å; I29-G32 PolarHBondContact O-N 3.49Å; I29-G32 VanDerWaalsContact O-N 3.12Å; R30-G32 VanDerWaalsContact C-N 3.28Å; G32-E34 WeakPolarHBondContact CA-OE2 3.29Å
33	R	89.8	Confident	94.6	Very high	40 Å²	40	33.5 Å²	33.5	15%	0.151	16%	0.164	C	C	.	.			trans	-120.7	12.6	-174.8	-73.1	-115.4	61.1	174.8	6.8	113.1	I29 D35 R36 V57 A59 L62	I29-R33 WeakPolarHBondContact O-CG 3.43Å; R33-D35 PolarHBondContact O-N 2.87Å; R33-R36 WeakPolarHBondContact O-CB 3.02Å; R33-R36 PolarHBondContact O-N 3.04Å; R33-V57 PolarHBondContact NH1-O 2.83Å; R33-V57 PolarHBondContact NH2-O 2.96Å; R33-A59 PolarHBondContact NH1-O 2.82Å; R33-L62 PolarHBondContact NH1-O 3.29Å
34	E	92.6	Very high	94.5	Very high	122 Å²	122	36.7 Å²	36.7	57%	0.57	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.4	-176.7	-61	87.9	161.2	0	0	111.7	G32 R36	G32-E34 WeakPolarHBondContact CA-OE2 3.29Å; E34-R36 PolarHBondContact O-N 3.33Å
35	D	93.6	Very high	94.5	Very high	18 Å²	18	38.7 Å²	38.7	10%	0.096	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	14.7	-175.3	-67.9	-13.4	0	0	0	113.8	R33 T37 L38 Y39 R120	R33-D35 PolarHBondContact O-N 2.87Å; D35-T37 VanDerWaalsContact C-N 3.32Å; D35-T37 PolarHBondContact O-N 2.82Å; D35-L38 WeakPolarHBondContact O-CA 3.24Å; D35-L38 WeakPolarHBondContact O-CB 3.01Å; D35-L38 PolarHBondContact O-N 3Å; D35-Y39 HydrophobicContact CB-CD1 4.18Å; D35-Y39 HydrophobicContact CB-CE1 3.46Å; D35-Y39 VanDerWaalsContact CB-CE1 3.46Å; D35-Y39 HydrophobicContact CB-CE2 4.31Å; D35-Y39 VanDerWaalsContact O-CD1 3.26Å; D35-Y39 WeakPolarHBondContact O-CD1 3.36Å; D35-Y39 VanDerWaalsContact O-CG 3.3Å; D35-Y39 PolarHBondContact O-N 3.27Å; D35-R120 IonicContact OD1-CZ 3.18Å; D35-R120 IonicContact OD1-NH1 3.05Å; D35-R120 IonicContact OD1-NH2 2.61Å; D35-R120 PolarHBondContact OD1-NH2 3.43Å; D35-R120 IonicContact OD2-CZ 2.85Å; D35-R120 IonicContact OD2-NH1 3.49Å; D35-R120 PolarHBondContact OD2-NH1 3.18Å; D35-R120 IonicContact OD2-NH2 3.8Å; D35-R120 PolarHBondContact OD2-NH2 3.27Å
36	R	93.3	Very high	94.4	Very high	63 Å²	63	38.7 Å²	38.7	24%	0.238	19%	0.194	C	C	.	.	H	α-helix	trans	-54.3	-44.4	-176.2	179.5	-169.2	81.6	71.9	9.8	113.3	R33 E34 L38 Y39 E40 A60	R33-R36 WeakPolarHBondContact O-CB 3.02Å; R33-R36 PolarHBondContact O-N 3.04Å; E34-R36 PolarHBondContact O-N 3.33Å; R36-L38 PolarHBondContact O-N 3.45Å; R36-Y39 WeakPolarHBondContact O-CB 3.41Å; R36-Y39 PolarHBondContact O-N 3.09Å; R36-Y39 VanDerWaalsContact O-N 3.16Å; R36-E40 IonicContact CZ-OE1 3.38Å; R36-E40 IonicContact NH1-OE1 2.97Å; R36-E40 PolarHBondContact NH1-OE1 3.24Å; R36-E40 IonicContact NH1-OE2 3.35Å; R36-E40 IonicContact NH2-OE2 3.15Å; R36-E40 PolarHBondContact O-N 3.15Å; R36-A60 VanDerWaalsContact NH1-CA 3.34Å
37	T	94.3	Very high	94.3	Very high	74 Å²	74	43.8 Å²	43.8	45%	0.454	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-34.2	179.9	48.5	0	0	0	0	111.8	D35 E40 R41	D35-T37 VanDerWaalsContact C-N 3.32Å; D35-T37 PolarHBondContact O-N 2.82Å; T37-E40 PolarHBondContact O-N 3.01Å; T37-R41 PolarHBondContact O-N 3.46Å
38	L	96.3	Very high	94.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-70.4	-39.8	174.2	-178.5	51.3	0	0	0	111.5	D35 R36 E40 R41 I42 Y145 E147 V150	D35-L38 WeakPolarHBondContact O-CA 3.24Å; D35-L38 WeakPolarHBondContact O-CB 3.01Å; D35-L38 PolarHBondContact O-N 3Å; R36-L38 PolarHBondContact O-N 3.45Å; L38-E40 VanDerWaalsContact C-N 3.3Å; L38-E40 PolarHBondContact O-N 3.29Å; L38-R41 WeakPolarHBondContact O-CB 3.41Å; L38-R41 PolarHBondContact O-N 2.92Å; L38-R41 VanDerWaalsContact O-N 3.13Å; L38-I42 HydrophobicContact CD1-CD1 4.31Å; L38-I42 HydrophobicContact CD1-CG1 4.4Å; L38-I42 HydrophobicContact CG-CD1 4.07Å; L38-I42 WeakPolarHBondContact O-CG1 3.28Å; L38-I42 PolarHBondContact O-N 2.77Å; L38-Y145 VanDerWaalsContact CD2-OH 3.27Å; L38-Y145 WeakPolarHBondContact CD2-OH 3.24Å; L38-E147 HydrophobicContact CD1-CG 3.91Å; L38-E147 HydrophobicContact CD2-CG 4.26Å; L38-V150 HydrophobicContact CD1-CG1 4.02Å
39	Y	96.5	Very high	94.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-38.7	174.6	-55.8	-16.9	0	0	0	112	F25 S28 D35 R36 R41 I42 V43 V57 E93	F25-Y39 HydrophobicContact CE1-CD1 4.21Å; F25-Y39 AromaticContact CE1-CG 3.94Å; F25-Y39 HydrophobicContact CE1-CG 3.94Å; F25-Y39 AromaticContact CZ-CD1 3.8Å; F25-Y39 HydrophobicContact CZ-CD1 3.8Å; F25-Y39 HydrophobicContact CZ-CG 4Å; S28-Y39 PolarHBondContact N-OH 3.25Å; S28-Y39 VanDerWaalsContact N-OH 3.16Å; S28-Y39 VanDerWaalsContact O-CE2 3.31Å; S28-Y39 WeakPolarHBondContact O-CE2 3.22Å; D35-Y39 HydrophobicContact CB-CD1 4.18Å; D35-Y39 HydrophobicContact CB-CE1 3.46Å; D35-Y39 VanDerWaalsContact CB-CE1 3.46Å; D35-Y39 HydrophobicContact CB-CE2 4.31Å; D35-Y39 VanDerWaalsContact O-CD1 3.26Å; D35-Y39 WeakPolarHBondContact O-CD1 3.36Å; D35-Y39 VanDerWaalsContact O-CG 3.3Å; D35-Y39 PolarHBondContact O-N 3.27Å; R36-Y39 WeakPolarHBondContact O-CB 3.41Å; R36-Y39 PolarHBondContact O-N 3.09Å; R36-Y39 VanDerWaalsContact O-N 3.16Å; Y39-R41 VanDerWaalsContact C-N 3.33Å; Y39-R41 PolarHBondContact O-N 3.48Å; Y39-I42 PolarHBondContact O-N 2.61Å; Y39-V43 WeakPolarHBondContact O-CB 3.37Å; Y39-V43 WeakPolarHBondContact O-CG2 3.44Å; Y39-V43 PolarHBondContact O-N 3.38Å; Y39-V57 HydrophobicContact CD2-CG1 4.45Å; Y39-E93 HydrophobicContact CD1-CB 4.07Å; Y39-E93 HydrophobicContact CD1-CG 4.29Å; Y39-E93 HydrophobicContact CE1-CB 3.66Å; Y39-E93 HydrophobicContact CE1-CG 3.89Å
40	E	95.3	Very high	94.4	Very high	77 Å²	77	51.9 Å²	51.9	36%	0.36	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-43.9	173.3	-72.6	177.6	151.6	0	0	111.9	R36 T37 L38 S44 A58	R36-E40 IonicContact CZ-OE1 3.38Å; R36-E40 IonicContact NH1-OE1 2.97Å; R36-E40 PolarHBondContact NH1-OE1 3.24Å; R36-E40 IonicContact NH1-OE2 3.35Å; R36-E40 IonicContact NH2-OE2 3.15Å; R36-E40 PolarHBondContact O-N 3.15Å; T37-E40 PolarHBondContact O-N 3.01Å; L38-E40 VanDerWaalsContact C-N 3.3Å; L38-E40 PolarHBondContact O-N 3.29Å; E40-S44 WeakPolarHBondContact O-CB 3.31Å; E40-S44 PolarHBondContact O-N 2.71Å; E40-A58 HydrophobicContact CB-CB 4.42Å; E40-A58 HydrophobicContact CG-CB 3.84Å; E40-A58 VanDerWaalsContact CG-O 3.28Å; E40-A58 WeakPolarHBondContact CG-O 3.48Å
41	R	97	Very high	94.7	Very high	74 Å²	74	48.2 Å²	48.2	28%	0.279	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-45.4	176.7	-68.5	173.6	59.2	-146.9	-7.3	111.8	T37 L38 Y39 S44 R45 E147 E151	T37-R41 PolarHBondContact O-N 3.46Å; L38-R41 WeakPolarHBondContact O-CB 3.41Å; L38-R41 PolarHBondContact O-N 2.92Å; L38-R41 VanDerWaalsContact O-N 3.13Å; Y39-R41 VanDerWaalsContact C-N 3.33Å; Y39-R41 PolarHBondContact O-N 3.48Å; R41-S44 PolarHBondContact O-N 3.15Å; R41-R45 PolarHBondContact O-N 3Å; R41-E147 PolarHBondContact NH1-O 3.03Å; R41-E147 VanDerWaalsContact NH1-O 3.12Å; R41-E147 IonicContact NH1-OE1 3.75Å; R41-E147 PolarHBondContact NH1-OE1 3.21Å; R41-E147 PolarHBondContact NH2-O 3.1Å; R41-E151 IonicContact CZ-OE1 3.56Å; R41-E151 IonicContact NE-OE1 3.56Å; R41-E151 PolarHBondContact NE-OE1 3.11Å; R41-E151 VanDerWaalsContact NE-OE1 3.1Å; R41-E151 IonicContact NH2-OE1 3.39Å; R41-E151 PolarHBondContact NH2-OE1 2.65Å
42	I	97.8	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-54.5	178.1	-67.3	164.9	0	0	0	110.2	F25 L38 Y39 S44 R45 L46 E93 L118 V150 L154	F25-I42 HydrophobicContact CD2-CG2 3.69Å; F25-I42 HydrophobicContact CE2-CB 4.09Å; F25-I42 HydrophobicContact CE2-CD1 4.16Å; F25-I42 HydrophobicContact CE2-CG2 3.39Å; F25-I42 HydrophobicContact CZ-CB 4.37Å; F25-I42 HydrophobicContact CZ-CD1 4.26Å; F25-I42 HydrophobicContact CZ-CG2 4.15Å; L38-I42 HydrophobicContact CD1-CD1 4.31Å; L38-I42 HydrophobicContact CD1-CG1 4.4Å; L38-I42 HydrophobicContact CG-CD1 4.07Å; L38-I42 WeakPolarHBondContact O-CG1 3.28Å; L38-I42 PolarHBondContact O-N 2.77Å; Y39-I42 PolarHBondContact O-N 2.61Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 3.47Å; I42-R45 WeakPolarHBondContact O-CB 3.18Å; I42-R45 PolarHBondContact O-N 2.81Å; I42-L46 HydrophobicContact CG2-CD1 3.81Å; I42-L46 HydrophobicContact CG2-CG 4.12Å; I42-L46 VanDerWaalsContact O-CG 3.32Å; I42-L46 WeakPolarHBondContact O-CG 3.17Å; I42-L46 PolarHBondContact O-N 3.26Å; I42-E93 HydrophobicContact CD1-CB 4.23Å; I42-E93 HydrophobicContact CD1-CG 3.83Å; I42-L118 HydrophobicContact CD1-CD1 4.34Å; I42-V150 HydrophobicContact CD1-CG2 4.07Å; I42-V150 HydrophobicContact CG1-CG2 3.68Å; I42-L154 HydrophobicContact CG2-CD1 4.06Å
43	V	96.7	Very high	95.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-57.6	-44	179.1	168.3	0	0	0	0	111	F25 Y39 R45 L46 R47 V52 E55 A58	F25-V43 HydrophobicContact CB-CG2 4.23Å; F25-V43 HydrophobicContact CD1-CG2 3.57Å; F25-V43 HydrophobicContact CE1-CG2 4.11Å; F25-V43 HydrophobicContact CG-CG2 3.89Å; Y39-V43 WeakPolarHBondContact O-CB 3.37Å; Y39-V43 WeakPolarHBondContact O-CG2 3.44Å; Y39-V43 PolarHBondContact O-N 3.38Å; V43-R45 VanDerWaalsContact C-N 3.29Å; V43-R45 PolarHBondContact O-N 3Å; V43-L46 PolarHBondContact O-N 2.77Å; V43-R47 WeakPolarHBondContact O-CG 3.33Å; V43-R47 PolarHBondContact O-N 2.94Å; V43-V52 HydrophobicContact CG1-CG1 4.21Å; V43-E55 HydrophobicContact CG1-CB 4.26Å; V43-E55 HydrophobicContact CG1-CG 4.37Å; V43-A58 HydrophobicContact CB-CB 4.32Å; V43-A58 HydrophobicContact CG2-CB 4.05Å
44	S	96.3	Very high	95.1	Very high	67 Å²	67	45.9 Å²	45.9	47%	0.469	22%	0.215	S	C	.	.	H	α-helix	trans	-58.1	-41.1	176	-173.6	0	0	0	0	112.4	E40 R41 I42	E40-S44 WeakPolarHBondContact O-CB 3.31Å; E40-S44 PolarHBondContact O-N 2.71Å; R41-S44 PolarHBondContact O-N 3.15Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 3.47Å
45	R	97.6	Very high	94.5	Very high	43 Å²	43	43.8 Å²	43.8	16%	0.162	21%	0.205	C	C	.	.	H	α-helix	trans	-68.6	-44.2	175.6	-165.5	71.8	-169.8	-172.6	11.1	112.1	R41 I42 V43 R47 R48 F49 E151 L154 D155	R41-R45 PolarHBondContact O-N 3Å; I42-R45 WeakPolarHBondContact O-CB 3.18Å; I42-R45 PolarHBondContact O-N 2.81Å; V43-R45 VanDerWaalsContact C-N 3.29Å; V43-R45 PolarHBondContact O-N 3Å; R45-R47 PolarHBondContact O-N 3.38Å; R45-R48 VanDerWaalsContact CZ-NH1 3.29Å; R45-R48 VanDerWaalsContact NH1-NH1 3.1Å; R45-R48 WeakPolarHBondContact O-CB 3.47Å; R45-R48 WeakPolarHBondContact O-CG 3.44Å; R45-R48 PolarHBondContact O-N 3.29Å; R45-R48 VanDerWaalsContact O-N 3.08Å; R45-F49 HydrophobicContact CG-CE2 4.31Å; R45-E151 HydrophobicContact CB-CG 4.34Å; R45-E151 HydrophobicContact CG-CB 4.27Å; R45-E151 HydrophobicContact CG-CG 4.27Å; R45-L154 HydrophobicContact CB-CD1 4Å; R45-L154 HydrophobicContact CG-CB 4.27Å; R45-L154 HydrophobicContact CG-CD1 4.09Å; R45-D155 IonicContact CZ-OD1 2.73Å; R45-D155 IonicContact CZ-OD2 3.1Å; R45-D155 IonicContact NE-OD1 3.46Å; R45-D155 PolarHBondContact NE-OD1 3.48Å; R45-D155 IonicContact NE-OD2 2.95Å; R45-D155 IonicContact NH2-OD1 3.39Å; R45-D155 PolarHBondContact NH2-OD1 2.97Å; R45-D155 IonicContact NH2-OD2 3.36Å; R45-D155 PolarHBondContact NH2-OD2 3.07Å
46	L	97.1	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-31.9	-177.8	-69.3	177.8	0	0	0	113.3	L23 F25 I42 V43 R48 F49 G50 V52 V91 L154 F158	L23-L46 HydrophobicContact CD2-CD2 4.22Å; F25-L46 HydrophobicContact CB-CD1 4.11Å; F25-L46 HydrophobicContact CD2-CD1 3.97Å; F25-L46 HydrophobicContact CG-CD1 4.34Å; I42-L46 HydrophobicContact CG2-CD1 3.81Å; I42-L46 HydrophobicContact CG2-CG 4.12Å; I42-L46 VanDerWaalsContact O-CG 3.32Å; I42-L46 WeakPolarHBondContact O-CG 3.17Å; I42-L46 PolarHBondContact O-N 3.26Å; V43-L46 PolarHBondContact O-N 2.77Å; L46-R48 PolarHBondContact O-N 2.84Å; L46-F49 PolarHBondContact O-N 2.79Å; L46-G50 PolarHBondContact O-N 2.78Å; L46-V52 HydrophobicContact CB-CG2 3.61Å; L46-V91 HydrophobicContact CD1-CB 4.14Å; L46-V91 HydrophobicContact CD1-CG1 4.39Å; L46-V91 HydrophobicContact CD1-CG2 4.39Å; L46-V91 HydrophobicContact CD2-CG2 4.01Å; L46-L154 HydrophobicContact CD2-CD1 4.26Å; L46-L154 HydrophobicContact CD2-CD2 3.97Å; L46-F158 HydrophobicContact CD2-CE2 3.52Å; L46-F158 HydrophobicContact CD2-CZ 3.95Å
47	R	95.3	Very high	92.9	Very high	107 Å²	107	42.4 Å²	42.4	40%	0.404	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20	175	-73.5	171.4	175.6	143.3	-2.8	114.4	R20 V43 R45 F49 G50 V52 E55	R20-R47 PolarHBondContact NH2-O 2.99Å; V43-R47 WeakPolarHBondContact O-CG 3.33Å; V43-R47 PolarHBondContact O-N 2.94Å; R45-R47 PolarHBondContact O-N 3.38Å; R47-F49 VanDerWaalsContact C-N 3.34Å; R47-G50 WeakPolarHBondContact CA-O 3.27Å; R47-V52 HydrophobicContact CG-CG2 4.09Å; R47-E55 IonicContact CZ-OE1 2.63Å; R47-E55 IonicContact CZ-OE2 2.71Å; R47-E55 IonicContact NE-OE1 2.77Å; R47-E55 PolarHBondContact NE-OE1 2.82Å; R47-E55 IonicContact NE-OE2 3.72Å; R47-E55 IonicContact NH2-OE1 3.32Å; R47-E55 PolarHBondContact NH2-OE1 3.25Å; R47-E55 VanDerWaalsContact NH2-OE1 3.15Å; R47-E55 IonicContact NH2-OE2 3.96Å; R47-E55 PolarHBondContact NH2-OE2 2.88Å
48	R	95.3	Very high	91.8	Very high	165 Å²	165	39.2 Å²	39.2	62%	0.623	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-29.4	175.4	-62.2	-176.2	177.2	-159.7	-2.6	112.3	R45 L46	R45-R48 VanDerWaalsContact CZ-NH1 3.29Å; R45-R48 VanDerWaalsContact NH1-NH1 3.1Å; R45-R48 WeakPolarHBondContact O-CB 3.47Å; R45-R48 WeakPolarHBondContact O-CG 3.44Å; R45-R48 PolarHBondContact O-N 3.29Å; R45-R48 VanDerWaalsContact O-N 3.08Å; L46-R48 PolarHBondContact O-N 2.84Å
49	F	95.4	Very high	90.9	Very high	41 Å²	41	41 Å²	41	18%	0.18	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-15.5	-175.3	-50.7	-69	0	0	0	113.3	L23 R45 L46 R47 L154 D155 F158 P163	L23-F49 HydrophobicContact CD2-CB 4.47Å; R45-F49 HydrophobicContact CG-CE2 4.31Å; L46-F49 PolarHBondContact O-N 2.79Å; R47-F49 VanDerWaalsContact C-N 3.34Å; F49-L154 HydrophobicContact CE2-CB 4.49Å; F49-D155 WeakPolarHBondContact CZ-OD1 3.36Å; F49-F158 HydrophobicContact CB-CD1 4.34Å; F49-F158 HydrophobicContact CB-CD2 4.29Å; F49-F158 HydrophobicContact CB-CG 4.16Å; F49-F158 HydrophobicContact CD1-CB 3.52Å; F49-F158 HydrophobicContact CD1-CD2 4.1Å; F49-F158 AromaticContact CD1-CG 3.9Å; F49-F158 HydrophobicContact CD1-CG 3.9Å; F49-F158 HydrophobicContact CD2-CB 4.36Å; F49-F158 AromaticContact CD2-CD2 3.33Å; F49-F158 HydrophobicContact CD2-CD2 3.33Å; F49-F158 AromaticContact CD2-CE2 3.77Å; F49-F158 HydrophobicContact CD2-CE2 3.77Å; F49-F158 AromaticContact CD2-CG 3.93Å; F49-F158 HydrophobicContact CD2-CG 3.93Å; F49-F158 HydrophobicContact CE1-CB 3.65Å; F49-F158 HydrophobicContact CE1-CD2 4.28Å; F49-F158 HydrophobicContact CE1-CG 4.27Å; F49-F158 HydrophobicContact CE2-CB 4.47Å; F49-F158 AromaticContact CE2-CD2 3.56Å; F49-F158 HydrophobicContact CE2-CD2 3.56Å; F49-F158 HydrophobicContact CE2-CE2 4.2Å; F49-F158 HydrophobicContact CE2-CG 4.32Å; F49-F158 HydrophobicContact CG-CB 3.9Å; F49-F158 HydrophobicContact CG-CD1 4.38Å; F49-F158 AromaticContact CG-CD2 3.63Å; F49-F158 HydrophobicContact CG-CD2 3.63Å; F49-F158 HydrophobicContact CG-CE2 4.26Å; F49-F158 AromaticContact CG-CG 3.71Å; F49-F158 HydrophobicContact CG-CG 3.71Å; F49-F158 HydrophobicContact CZ-CB 4.13Å; F49-F158 HydrophobicContact CZ-CD2 4.02Å; F49-F158 HydrophobicContact CZ-CG 4.46Å; F49-P163 HydrophobicContact CB-CG 4.29Å
50	G	95	Very high	89.2	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.021	22%	0.223	C	C	.	.	S	Bend	trans	167.4	-165.6	177.4	0	0	0	0	0	113.3	P21 L46 R47	P21-G50 CarbonylContact O-C 3.6Å; P21-G50 WeakPolarHBondContact O-CA 3.32Å; L46-G50 PolarHBondContact O-N 2.78Å; R47-G50 WeakPolarHBondContact CA-O 3.27Å
51	T	95.2	Very high	87.8	Confident	69 Å²	69	49.6 Å²	49.6	42%	0.423	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.6	-179.8	-57.4	0	0	0	0	109.9	P21 L23 L53	P21-T51 PolarHBondContact O-N 3.49Å; L23-T51 PolarHBondContact N-O 3.41Å; T51-L53 HydrophobicContact CG2-CD2 4.39Å
52	V	96.4	Very high	86.6	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.3	177	-176.4	0	0	0	0	109.1	L23 F25 V43 L46 R47 E55	L23-V52 CarbonylContact O-C 3.52Å; L23-V52 WeakPolarHBondContact O-CA 3.39Å; F25-V52 HydrophobicContact CB-CG1 4.24Å; V43-V52 HydrophobicContact CG1-CG1 4.21Å; L46-V52 HydrophobicContact CB-CG2 3.61Å; R47-V52 HydrophobicContact CG-CG2 4.09Å; V52-E55 HydrophobicContact CB-CG 3.96Å; V52-E55 HydrophobicContact CG1-CG 4.12Å; V52-E55 WeakPolarHBondContact O-CG 3.33Å
53	L	93.1	Very high	85	Confident	32 Å²	32	49.3 Å²	49.3	17%	0.168	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-25.2	-173.9	-59.3	178.2	0	0	0	113.1	A22 L23 T51 W83 Q86 A87	A22-L53 HydrophobicContact CB-CD1 4.2Å; A22-L53 HydrophobicContact CB-CG 4.44Å; L23-L53 PolarHBondContact O-N 3.39Å; T51-L53 HydrophobicContact CG2-CD2 4.39Å; L53-W83 HydrophobicContact CB-CB 4.05Å; L53-W83 HydrophobicContact CB-CD2 4.38Å; L53-W83 HydrophobicContact CB-CG 4.07Å; L53-W83 HydrophobicContact CD1-CB 3.82Å; L53-W83 HydrophobicContact CD1-CG 4.28Å; L53-W83 WeakPolarHBondContact CD1-O 3.35Å; L53-Q86 HydrophobicContact CD1-CB 4.3Å; L53-A87 HydrophobicContact CD1-CB 4.38Å
54	T	87.8	Confident	83.5	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	38.1	-171.9	52.8	0	0	0	0	113.1	Y24 F25 H56 V57 W83	Y24-T54 HydrophobicContact CD1-CG2 4.18Å; Y24-T54 HydrophobicContact CD2-CG2 3.68Å; Y24-T54 HydrophobicContact CE1-CG2 3.85Å; Y24-T54 HydrophobicContact CE2-CG2 3.32Å; Y24-T54 HydrophobicContact CG-CG2 4.1Å; Y24-T54 VanDerWaalsContact CZ-CG2 3.42Å; F25-T54 WeakPolarHBondContact CA-OG1 3.27Å; F25-T54 PolarHBondContact N-OG1 2.84Å; F25-T54 WeakPolarHBondContact O-CB 3.32Å; F25-T54 PolarHBondContact O-OG1 3.48Å; T54-H56 PolarHBondContact O-N 3.22Å; T54-V57 WeakPolarHBondContact O-CB 3.26Å; T54-V57 WeakPolarHBondContact O-CG2 3.26Å; T54-V57 PolarHBondContact O-N 3.19Å; T54-W83 HydrophobicContact CG2-CE3 4.17Å
55	E	80.3	Confident	82.2	Confident	77 Å²	77	59 Å²	59	36%	0.36	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-56.9	-29.2	-178.5	-47.6	-159.6	133	0	0	113	V43 R47 V52 V57 A58	V43-E55 HydrophobicContact CG1-CB 4.26Å; V43-E55 HydrophobicContact CG1-CG 4.37Å; R47-E55 IonicContact CZ-OE1 2.63Å; R47-E55 IonicContact CZ-OE2 2.71Å; R47-E55 IonicContact NE-OE1 2.77Å; R47-E55 PolarHBondContact NE-OE1 2.82Å; R47-E55 IonicContact NE-OE2 3.72Å; R47-E55 IonicContact NH2-OE1 3.32Å; R47-E55 PolarHBondContact NH2-OE1 3.25Å; R47-E55 VanDerWaalsContact NH2-OE1 3.15Å; R47-E55 IonicContact NH2-OE2 3.96Å; R47-E55 PolarHBondContact NH2-OE2 2.88Å; V52-E55 HydrophobicContact CB-CG 3.96Å; V52-E55 HydrophobicContact CG1-CG 4.12Å; V52-E55 WeakPolarHBondContact O-CG 3.33Å; E55-V57 PolarHBondContact O-N 3.02Å; E55-A58 PolarHBondContact O-N 2.77Å; E55-A58 VanDerWaalsContact O-N 3.1Å
56	H	78	Confident	81	Confident	45 Å²	45	57.4 Å²	57.4	21%	0.208	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-57.7	-30.1	177.8	65.9	-83.7	0	0	0	112	T54 A58 A59 L62 E67 W83	T54-H56 PolarHBondContact O-N 3.22Å; H56-A58 PolarHBondContact O-N 2.82Å; H56-A59 WeakPolarHBondContact O-CB 3.22Å; H56-A59 PolarHBondContact O-N 2.88Å; H56-L62 HydrophobicContact CB-CD1 4.32Å; H56-L62 WeakPolarHBondContact O-CD1 3.43Å; H56-E67 IonicContact CD2-OE2 3.73Å; H56-W83 AromaticContact CE1-CZ3 3.54Å; H56-W83 AromaticContact ND1-CZ3 3.97Å
57	V	75.2	Confident	79.9	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.042	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-54.4	-31.7	177.1	176.6	0	0	0	0	111.9	F25 I29 R33 Y39 T54 E55	F25-V57 HydrophobicContact CD1-CB 4.33Å; F25-V57 HydrophobicContact CD1-CG1 4.14Å; F25-V57 HydrophobicContact CE1-CG1 4.01Å; I29-V57 HydrophobicContact CD1-CG1 4.3Å; I29-V57 HydrophobicContact CD1-CG2 4.25Å; I29-V57 HydrophobicContact CG1-CG1 4.29Å; R33-V57 PolarHBondContact NH1-O 2.83Å; R33-V57 PolarHBondContact NH2-O 2.96Å; Y39-V57 HydrophobicContact CD2-CG1 4.45Å; T54-V57 WeakPolarHBondContact O-CB 3.26Å; T54-V57 WeakPolarHBondContact O-CG2 3.26Å; T54-V57 PolarHBondContact O-N 3.19Å; E55-V57 PolarHBondContact O-N 3.02Å
58	A	70.4	Confident	78.6	Confident	7 Å²	7	62.4 Å²	62.4	6%	0.058	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-86.4	-11.3	178.5	0	0	0	0	0	114.5	E40 V43 E55 H56	E40-A58 HydrophobicContact CB-CB 4.42Å; E40-A58 HydrophobicContact CG-CB 3.84Å; E40-A58 VanDerWaalsContact CG-O 3.28Å; E40-A58 WeakPolarHBondContact CG-O 3.48Å; V43-A58 HydrophobicContact CB-CB 4.32Å; V43-A58 HydrophobicContact CG2-CB 4.05Å; E55-A58 PolarHBondContact O-N 2.77Å; E55-A58 VanDerWaalsContact O-N 3.1Å; H56-A58 PolarHBondContact O-N 2.82Å
59	A	76.9	Confident	77.1	Confident	38 Å²	38	55.8 Å²	55.8	31%	0.314	31%	0.311	S	S	.	.			trans	-64.9	138.8	-169.5	0	0	0	0	0	112.9	R33 H56 E61 L62	R33-A59 PolarHBondContact NH1-O 2.82Å; H56-A59 WeakPolarHBondContact O-CB 3.22Å; H56-A59 PolarHBondContact O-N 2.88Å; A59-E61 VanDerWaalsContact C-N 3.32Å; A59-E61 PolarHBondContact O-N 3.02Å; A59-L62 HydrophobicContact CB-CD1 4.17Å; A59-L62 PolarHBondContact O-N 3.02Å
60	A	61.6	Low	75.5	Confident	67 Å²	67	59.6 Å²	59.6	55%	0.554	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-30.8	-178.9	0	0	0	0	0	113.6	R36 L62	R36-A60 VanDerWaalsContact NH1-CA 3.34Å; A60-L62 VanDerWaalsContact C-N 3.25Å; A60-L62 PolarHBondContact O-N 3.43Å
61	E	66.6	Low	74	Confident	191 Å²	191	61.5 Å²	61.5	89%	0.893	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-10.1	-176.2	-57.2	-163.3	164	0	0	113.3	A59 G63	A59-E61 VanDerWaalsContact C-N 3.32Å; A59-E61 PolarHBondContact O-N 3.02Å; E61-G63 PolarHBondContact O-N 2.77Å; E61-G63 VanDerWaalsContact O-N 3.15Å
62	L	70.9	Confident	73.5	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.131	37%	0.365	C	S	.	.			trans	-76.5	101.4	173.2	-88	154.7	0	0	0	110.8	R33 H56 A59 A60 G66 E67	R33-L62 PolarHBondContact NH1-O 3.29Å; H56-L62 HydrophobicContact CB-CD1 4.32Å; H56-L62 WeakPolarHBondContact O-CD1 3.43Å; A59-L62 HydrophobicContact CB-CD1 4.17Å; A59-L62 PolarHBondContact O-N 3.02Å; A60-L62 VanDerWaalsContact C-N 3.25Å; A60-L62 PolarHBondContact O-N 3.43Å; L62-G66 WeakPolarHBondContact CD2-O 3.46Å; L62-E67 HydrophobicContact CD2-CB 3.83Å
63	G	63.2	Low	73.2	Confident	44 Å²	44	64 Å²	64	45%	0.454	39%	0.388	S	S	.	.			trans	-65.5	178	172.4	0	0	0	0	0	113.5	E61 R65 G66	E61-G63 PolarHBondContact O-N 2.77Å; E61-G63 VanDerWaalsContact O-N 3.15Å; G63-R65 PolarHBondContact O-N 2.79Å; G63-G66 PolarHBondContact O-N 3.41Å
64	A	66.4	Low	73.1	Confident	80 Å²	80	71 Å²	71	66%	0.661	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.5	-177.5	0	0	0	0	0	114.3	G66	A64-G66 PolarHBondContact O-N 3.24Å
65	R	68.4	Low	73.2	Confident	193 Å²	193	75.4 Å²	75.4	73%	0.728	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.9	174.8	-67.5	-174.7	176.6	179.5	-0.8	113.3	R30 G63	R30-R65 PolarHBondContact NE-O 3.12Å; G63-R65 PolarHBondContact O-N 2.79Å
66	G	72.8	Confident	73.6	Confident	9 Å²	9	73 Å²	73	9%	0.093	42%	0.424	C	S	.	.			trans	73	-154.9	-174.5	0	0	0	0	0	112.1	L62 G63 A64 E68	L62-G66 WeakPolarHBondContact CD2-O 3.46Å; G63-G66 PolarHBondContact O-N 3.41Å; A64-G66 PolarHBondContact O-N 3.24Å; G66-E68 PolarHBondContact O-N 2.91Å
67	E	74.3	Confident	74.4	Confident	51 Å²	51	74.5 Å²	74.5	24%	0.238	43%	0.431	C	S	.	.			trans	-71.1	129.5	-174.6	-173.5	-178.7	160	0	0	110.9	H56 L62 A69 I76 R79	H56-E67 IonicContact CD2-OE2 3.73Å; L62-E67 HydrophobicContact CD2-CB 3.83Å; E67-A69 HydrophobicContact CG-CB 4.32Å; E67-A69 PolarHBondContact O-N 3.01Å; E67-I76 HydrophobicContact CB-CD1 3.99Å; E67-I76 HydrophobicContact CG-CD1 4.33Å; E67-R79 VanDerWaalsContact CD-NH1 3.34Å; E67-R79 IonicContact OE1-CZ 3.96Å; E67-R79 IonicContact OE1-NH1 3.02Å; E67-R79 PolarHBondContact OE1-NH1 3.22Å; E67-R79 IonicContact OE1-NH2 3.91Å; E67-R79 IonicContact OE2-CZ 3.67Å; E67-R79 IonicContact OE2-NH1 2.75Å; E67-R79 PolarHBondContact OE2-NH1 2.88Å; E67-R79 VanDerWaalsContact OE2-NH1 3.12Å; E67-R79 IonicContact OE2-NH2 3.77Å; E67-R79 PolarHBondContact OE2-NH2 2.92Å
68	E	68.1	Low	75.2	Confident	161 Å²	161	78.2 Å²	78.2	75%	0.752	45%	0.448	S	S	*	.			trans	-95.1	78	166.9	-65.3	-168.8	171.7	0	0	108.4	G66	G66-E68 PolarHBondContact O-N 2.91Å
69	A	62.6	Low	76.3	Confident	25 Å²	25	81.2 Å²	81.2	21%	0.207	46%	0.458	C	S	.	.			trans	-73	134.1	174.7	0	0	0	0	0	109.6	E67 G71 G72 I76	E67-A69 HydrophobicContact CG-CB 4.32Å; E67-A69 PolarHBondContact O-N 3.01Å; A69-G71 PolarHBondContact O-N 3.4Å; A69-G72 PolarHBondContact O-N 2.82Å; A69-I76 HydrophobicContact CB-CD1 3.89Å; A69-I76 HydrophobicContact CB-CG1 3.69Å
70	A	62.3	Low	77.2	Confident	122 Å²	122	80.6 Å²	80.6	100%	1.008	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.1	-178.3	0	0	0	0	0	114.8
71	G	63.9	Low	78.8	Confident	42 Å²	42	78.6 Å²	78.6	43%	0.433	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	19.6	171.4	0	0	0	0	0	115.5	A69 L75	A69-G71 PolarHBondContact O-N 3.4Å; G71-L75 VanDerWaalsContact CA-CD1 3.43Å
72	G	85.2	Confident	80.3	Confident	32 Å²	32	71.2 Å²	71.2	33%	0.33	40%	0.401	S	S	.	.	H	α-helix	trans	75	-174.4	165.7	0	0	0	0	0	116.2	A69 R74 L75 I76	A69-G72 PolarHBondContact O-N 2.82Å; G72-R74 PolarHBondContact O-N 3.08Å; G72-R74 VanDerWaalsContact O-N 3.11Å; G72-L75 PolarHBondContact O-N 2.78Å; G72-L75 VanDerWaalsContact O-N 3.09Å; G72-I76 PolarHBondContact O-N 3.21Å
73	D	88.6	Confident	81.5	Confident	95 Å²	95	73.1 Å²	73.1	51%	0.508	41%	0.406	S	S	.	.	H	α-helix	trans	-56.5	-30.4	-171.7	-74.1	0.4	0	0	0	113.8	R30 H77	R30-D73 IonicContact CZ-OD1 3Å; R30-D73 IonicContact CZ-OD2 3.56Å; R30-D73 IonicContact NH1-OD1 2.91Å; R30-D73 PolarHBondContact NH1-OD1 3.02Å; R30-D73 IonicContact NH1-OD2 3.33Å; R30-D73 PolarHBondContact NH1-OD2 3.23Å; R30-D73 IonicContact NH2-OD1 2.77Å; R30-D73 PolarHBondContact NH2-OD1 2.94Å; R30-D73 IonicContact NH2-OD2 2.84Å; D73-H77 WeakPolarHBondContact O-CB 3.36Å; D73-H77 PolarHBondContact O-N 3.16Å
74	R	90.9	Very high	83.2	Confident	181 Å²	181	71 Å²	71	68%	0.683	39%	0.385	S	S	*	.	H	α-helix	trans	-66	-42	177.9	-179.1	173.5	179.3	143.1	6.5	112.6	G72 H77 E78	G72-R74 PolarHBondContact O-N 3.08Å; G72-R74 VanDerWaalsContact O-N 3.11Å; R74-H77 PolarHBondContact O-N 3.23Å; R74-E78 HydrophobicContact CG-CG 4.43Å; R74-E78 IonicContact CZ-OE1 3.34Å; R74-E78 VanDerWaalsContact CZ-OE1 3.32Å; R74-E78 IonicContact NE-OE1 2.7Å; R74-E78 PolarHBondContact NE-OE1 2.9Å; R74-E78 IonicContact NH2-OE1 3.12Å; R74-E78 PolarHBondContact NH2-OE1 3.29Å; R74-E78 WeakPolarHBondContact O-CG 3.44Å; R74-E78 PolarHBondContact O-N 3.22Å
75	L	89.9	Confident	84.6	Confident	91 Å²	91	72.2 Å²	72.2	48%	0.476	38%	0.377	S	S	.	.	H	α-helix	trans	-68.1	-39.4	179	-72	-169.8	0	0	0	111.5	G71 G72 H77 E78 R79	G71-L75 VanDerWaalsContact CA-CD1 3.43Å; G72-L75 PolarHBondContact O-N 2.78Å; G72-L75 VanDerWaalsContact O-N 3.09Å; L75-H77 VanDerWaalsContact C-N 3.33Å; L75-E78 PolarHBondContact O-N 3.02Å; L75-R79 WeakPolarHBondContact O-CB 3.36Å; L75-R79 PolarHBondContact O-N 3.33Å
76	I	90	Very high	85.9	Confident	26 Å²	26	68.7 Å²	68.7	13%	0.133	37%	0.369	C	S	.	.	H	α-helix	trans	-58.4	-50.2	174.5	-64.4	167.8	0	0	0	109.1	E67 A69 G72 E78 R79 D80	E67-I76 HydrophobicContact CB-CD1 3.99Å; E67-I76 HydrophobicContact CG-CD1 4.33Å; A69-I76 HydrophobicContact CB-CD1 3.89Å; A69-I76 HydrophobicContact CB-CG1 3.69Å; G72-I76 PolarHBondContact O-N 3.21Å; I76-E78 PolarHBondContact O-N 3.32Å; I76-R79 PolarHBondContact O-N 3.06Å; I76-D80 VanDerWaalsContact O-CB 3.24Å; I76-D80 WeakPolarHBondContact O-CB 3.47Å; I76-D80 PolarHBondContact O-N 3.28Å
77	H	94	Very high	87	Confident	78 Å²	78	68.3 Å²	68.3	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-58.6	-49.1	179.1	176.9	-96	0	0	0	113.6	D73 R74 L75 L81 Y103	D73-H77 WeakPolarHBondContact O-CB 3.36Å; D73-H77 PolarHBondContact O-N 3.16Å; R74-H77 PolarHBondContact O-N 3.23Å; L75-H77 VanDerWaalsContact C-N 3.33Å; H77-L81 WeakPolarHBondContact CE1-CD1 3.46Å; H77-L81 WeakPolarHBondContact O-CB 3.48Å; H77-L81 WeakPolarHBondContact O-CG 3.3Å; H77-L81 PolarHBondContact O-N 3.16Å; H77-Y103 AromaticContact CD2-CE1 3.84Å; H77-Y103 AromaticContact NE2-CE1 3.47Å; H77-Y103 WeakPolarHBondContact NE2-CE1 3.4Å; H77-Y103 AromaticContact NE2-CZ 3.43Å; H77-Y103 PolarHBondContact NE2-OH 3.32Å
78	E	93.3	Very high	88.1	Confident	85 Å²	85	69.4 Å²	69.4	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-41.7	-178.8	-73	176.6	179.3	0	0	111.7	R74 L75 I76 A82	R74-E78 HydrophobicContact CG-CG 4.43Å; R74-E78 IonicContact CZ-OE1 3.34Å; R74-E78 VanDerWaalsContact CZ-OE1 3.32Å; R74-E78 IonicContact NE-OE1 2.7Å; R74-E78 PolarHBondContact NE-OE1 2.9Å; R74-E78 IonicContact NH2-OE1 3.12Å; R74-E78 PolarHBondContact NH2-OE1 3.29Å; R74-E78 WeakPolarHBondContact O-CG 3.44Å; R74-E78 PolarHBondContact O-N 3.22Å; L75-E78 PolarHBondContact O-N 3.02Å; I76-E78 PolarHBondContact O-N 3.32Å; E78-A82 PolarHBondContact O-N 3.11Å; E78-A82 VanDerWaalsContact O-N 3.09Å
79	R	93.2	Very high	89.5	Confident	70 Å²	70	61.9 Å²	61.9	26%	0.264	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-50.4	176.5	179.9	-166.5	70.2	-169.9	-1.6	111.7	E67 L75 I76 L81 A82 W83	E67-R79 VanDerWaalsContact CD-NH1 3.34Å; E67-R79 IonicContact OE1-CZ 3.96Å; E67-R79 IonicContact OE1-NH1 3.02Å; E67-R79 PolarHBondContact OE1-NH1 3.22Å; E67-R79 IonicContact OE1-NH2 3.91Å; E67-R79 IonicContact OE2-CZ 3.67Å; E67-R79 IonicContact OE2-NH1 2.75Å; E67-R79 PolarHBondContact OE2-NH1 2.88Å; E67-R79 VanDerWaalsContact OE2-NH1 3.12Å; E67-R79 IonicContact OE2-NH2 3.77Å; E67-R79 PolarHBondContact OE2-NH2 2.92Å; L75-R79 WeakPolarHBondContact O-CB 3.36Å; L75-R79 PolarHBondContact O-N 3.33Å; I76-R79 PolarHBondContact O-N 3.06Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 2.7Å; R79-A82 WeakPolarHBondContact O-CB 3.47Å; R79-A82 PolarHBondContact O-N 2.94Å; R79-A82 VanDerWaalsContact O-N 3.08Å; R79-W83 HydrophobicContact CG-CD2 4.07Å; R79-W83 HydrophobicContact CG-CE3 4.04Å; R79-W83 HydrophobicContact CG-CH2 3.85Å; R79-W83 HydrophobicContact CG-CZ2 3.84Å; R79-W83 HydrophobicContact CG-CZ3 3.91Å; R79-W83 PolarHBondContact O-N 3.48Å
80	D	94.9	Very high	91.2	Very high	25 Å²	25	60.7 Å²	60.7	13%	0.134	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-37	-176.2	-74.1	14.8	0	0	0	110.8	Y24 I76 W83 L84	Y24-D80 WeakPolarHBondContact CE2-O 3.31Å; Y24-D80 WeakPolarHBondContact OH-CB 3.3Å; I76-D80 VanDerWaalsContact O-CB 3.24Å; I76-D80 WeakPolarHBondContact O-CB 3.47Å; I76-D80 PolarHBondContact O-N 3.28Å; D80-W83 PolarHBondContact O-N 3.22Å; D80-L84 VanDerWaalsContact O-CB 3.31Å; D80-L84 WeakPolarHBondContact O-CB 3.36Å; D80-L84 PolarHBondContact O-N 3.22Å
81	L	96.2	Very high	92.9	Very high	24 Å²	24	54.9 Å²	54.9	13%	0.126	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-38.8	171.1	-75.1	-179.7	0	0	0	113.5	H77 R79 W83 L84 Q85 Y103 R107	H77-L81 WeakPolarHBondContact CE1-CD1 3.46Å; H77-L81 WeakPolarHBondContact O-CB 3.48Å; H77-L81 WeakPolarHBondContact O-CG 3.3Å; H77-L81 PolarHBondContact O-N 3.16Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 2.7Å; L81-W83 VanDerWaalsContact C-N 3.33Å; L81-L84 HydrophobicContact CD2-CD2 4.38Å; L81-L84 PolarHBondContact O-N 2.79Å; L81-Q85 WeakPolarHBondContact O-CG 3.18Å; L81-Q85 PolarHBondContact O-N 3.13Å; L81-Y103 HydrophobicContact CD2-CE1 4.23Å; L81-R107 HydrophobicContact CD2-CB 4.22Å; L81-R107 HydrophobicContact CD2-CG 4.01Å; L81-R107 VanDerWaalsContact CD2-NH1 3.28Å
82	A	96.8	Very high	94.6	Very high	36 Å²	36	52.9 Å²	52.9	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-41.2	176.4	0	0	0	0	0	111	E78 R79 Q85 Q86	E78-A82 PolarHBondContact O-N 3.11Å; E78-A82 VanDerWaalsContact O-N 3.09Å; R79-A82 WeakPolarHBondContact O-CB 3.47Å; R79-A82 PolarHBondContact O-N 2.94Å; R79-A82 VanDerWaalsContact O-N 3.08Å; A82-Q85 PolarHBondContact O-N 3.27Å; A82-Q86 VanDerWaalsContact O-CG 3.29Å; A82-Q86 WeakPolarHBondContact O-CG 3.25Å; A82-Q86 PolarHBondContact O-N 2.74Å; A82-Q86 PolarHBondContact O-NE2 3.24Å
83	W	97.2	Very high	95.2	Very high	65 Å²	65	51.3 Å²	51.3	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-43.9	173.1	-72.7	-24.1	0	0	0	112.5	Y24 L53 T54 H56 R79 D80 L81 Q85 Q86 A87	Y24-W83 HydrophobicContact CD2-CB 3.99Å; Y24-W83 HydrophobicContact CE2-CB 3.84Å; L53-W83 HydrophobicContact CB-CB 4.05Å; L53-W83 HydrophobicContact CB-CD2 4.38Å; L53-W83 HydrophobicContact CB-CG 4.07Å; L53-W83 HydrophobicContact CD1-CB 3.82Å; L53-W83 HydrophobicContact CD1-CG 4.28Å; L53-W83 WeakPolarHBondContact CD1-O 3.35Å; T54-W83 HydrophobicContact CG2-CE3 4.17Å; H56-W83 AromaticContact CE1-CZ3 3.54Å; H56-W83 AromaticContact ND1-CZ3 3.97Å; R79-W83 HydrophobicContact CG-CD2 4.07Å; R79-W83 HydrophobicContact CG-CE3 4.04Å; R79-W83 HydrophobicContact CG-CH2 3.85Å; R79-W83 HydrophobicContact CG-CZ2 3.84Å; R79-W83 HydrophobicContact CG-CZ3 3.91Å; R79-W83 PolarHBondContact O-N 3.48Å; D80-W83 PolarHBondContact O-N 3.22Å; L81-W83 VanDerWaalsContact C-N 3.33Å; W83-Q85 PolarHBondContact O-N 2.81Å; W83-Q86 PolarHBondContact O-N 2.91Å; W83-A87 PolarHBondContact O-N 3.32Å
84	L	97.4	Very high	95.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-37.7	177.3	-171	66	0	0	0	111.7	Y24 D80 L81 Q86 A87 V90 R107 A108 F111 K113	Y24-L84 HydrophobicContact CD1-CD1 3.8Å; Y24-L84 HydrophobicContact CD2-CB 4.07Å; Y24-L84 HydrophobicContact CD2-CD1 4.03Å; Y24-L84 HydrophobicContact CE1-CD1 4.13Å; Y24-L84 HydrophobicContact CE2-CB 3.95Å; Y24-L84 HydrophobicContact CE2-CD1 4.32Å; Y24-L84 HydrophobicContact CG-CD1 3.75Å; D80-L84 VanDerWaalsContact O-CB 3.31Å; D80-L84 WeakPolarHBondContact O-CB 3.36Å; D80-L84 PolarHBondContact O-N 3.22Å; L81-L84 HydrophobicContact CD2-CD2 4.38Å; L81-L84 PolarHBondContact O-N 2.79Å; L84-Q86 VanDerWaalsContact C-N 3.35Å; L84-A87 PolarHBondContact O-N 2.95Å; L84-V90 HydrophobicContact CD1-CG1 4.41Å; L84-V90 HydrophobicContact CD1-CG2 3.63Å; L84-R107 HydrophobicContact CD2-CB 3.73Å; L84-A108 HydrophobicContact CD1-CB 4.2Å; L84-A108 HydrophobicContact CD2-CB 4.42Å; L84-F111 HydrophobicContact CD2-CD2 4.35Å; L84-F111 HydrophobicContact CD2-CE2 4.35Å; L84-F111 HydrophobicContact CG-CD2 4.4Å; L84-K113 VanDerWaalsContact O-CE 3.25Å; L84-K113 WeakPolarHBondContact O-CE 3.25Å
85	Q	96.3	Very high	96.1	Very high	105 Å²	105	39 Å²	39	49%	0.491	19%	0.191	S	C	.	.	H	α-helix	trans	-66.5	-34	174	-76.7	-179.2	-33	0	0	113.1	L81 A82 W83 F111 K113	L81-Q85 WeakPolarHBondContact O-CG 3.18Å; L81-Q85 PolarHBondContact O-N 3.13Å; A82-Q85 PolarHBondContact O-N 3.27Å; W83-Q85 PolarHBondContact O-N 2.81Å; Q85-F111 HydrophobicContact CG-CD2 3.95Å; Q85-F111 HydrophobicContact CG-CE1 4.04Å; Q85-F111 HydrophobicContact CG-CE2 3.4Å; Q85-F111 VanDerWaalsContact CG-CE2 3.4Å; Q85-F111 HydrophobicContact CG-CG 4.46Å; Q85-F111 HydrophobicContact CG-CZ 3.41Å; Q85-F111 VanDerWaalsContact CG-CZ 3.41Å; Q85-F111 VanDerWaalsContact NE2-CZ 3.28Å; Q85-K113 WeakPolarHBondContact O-CE 3.39Å; Q85-K113 PolarHBondContact O-NZ 3.14Å
86	Q	95.5	Very high	96.4	Very high	119 Å²	119	35.7 Å²	35.7	56%	0.556	17%	0.173	S	C	*	.	H	α-helix	trans	-77.8	-24.3	179	-69.8	166.7	33.8	0	0	113.1	L53 A82 W83 L84	L53-Q86 HydrophobicContact CD1-CB 4.3Å; A82-Q86 VanDerWaalsContact O-CG 3.29Å; A82-Q86 WeakPolarHBondContact O-CG 3.25Å; A82-Q86 PolarHBondContact O-N 2.74Å; A82-Q86 PolarHBondContact O-NE2 3.24Å; W83-Q86 PolarHBondContact O-N 2.91Å; L84-Q86 VanDerWaalsContact C-N 3.35Å
87	A	96.9	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.			trans	-64.7	137.9	-175.9	0	0	0	0	0	113	L53 W83 L84 K113	L53-A87 HydrophobicContact CD1-CB 4.38Å; W83-A87 PolarHBondContact O-N 3.32Å; L84-A87 PolarHBondContact O-N 2.95Å; A87-K113 WeakPolarHBondContact O-CD 3.44Å; A87-K113 WeakPolarHBondContact O-CE 3.35Å; A87-K113 PolarHBondContact O-NZ 2.9Å
88	D	96.6	Very high	97	Very high	74 Å²	74	36 Å²	36	40%	0.396	18%	0.184	S	C	.	.	S	Bend	trans	-78.7	-39.1	169.9	-61.9	-62.9	0	0	0	110.6	P21 A22	P21-D88 VanDerWaalsContact CA-OD2 3.26Å; P21-D88 WeakPolarHBondContact CA-OD2 3.49Å; A22-D88 PolarHBondContact N-OD2 2.92Å; A22-D88 PolarHBondContact O-N 2.65Å
89	V	97.9	Very high	97.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.2	-178.3	-176	0	0	0	0	110.5	A22 L23 Y24 V91 R114 Y157 F158 P163	A22-V89 PolarHBondContact O-N 2.85Å; L23-V89 WeakPolarHBondContact CA-O 3.28Å; Y24-V89 PolarHBondContact N-O 2.74Å; V89-V91 HydrophobicContact CG1-CG2 4.23Å; V89-R114 CarbonylContact C-O 3.59Å; V89-R114 WeakPolarHBondContact CA-O 3.49Å; V89-R114 HydrophobicContact CG1-CG 4.38Å; V89-R114 HydrophobicContact CG2-CB 4.42Å; V89-R114 HydrophobicContact CG2-CG 4.46Å; V89-Y157 HydrophobicContact CG1-CE1 4.09Å; V89-F158 HydrophobicContact CB-CE1 4.36Å; V89-F158 HydrophobicContact CG1-CE1 4.06Å; V89-F158 HydrophobicContact CG1-CZ 4.24Å; V89-F158 HydrophobicContact CG2-CE1 4.3Å; V89-P163 HydrophobicContact CG2-CB 4.18Å
90	V	98.6	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.4	171.4	-176.8	0	0	0	0	108.9	Y24 L84 A108 K113 R114 I115 L116	Y24-V90 HydrophobicContact CD1-CG1 4.41Å; Y24-V90 CarbonylContact O-C 3.26Å; Y24-V90 WeakPolarHBondContact O-CA 3.27Å; L84-V90 HydrophobicContact CD1-CG1 4.41Å; L84-V90 HydrophobicContact CD1-CG2 3.63Å; V90-A108 HydrophobicContact CG2-CB 3.96Å; V90-K113 HydrophobicContact CG2-CB 4.01Å; V90-K113 HydrophobicContact CG2-CG 4.34Å; V90-R114 PolarHBondContact N-O 2.95Å; V90-I115 HydrophobicContact CB-CG1 4.08Å; V90-I115 HydrophobicContact CG2-CG1 4.48Å; V90-I115 CarbonylContact O-C 3.51Å; V90-I115 WeakPolarHBondContact O-CA 3.45Å; V90-L116 PolarHBondContact O-N 3.22Å
91	V	98.7	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.8	173.8	-178.8	0	0	0	0	108.3	Y24 F25 C26 L46 V89 L116 L118 L154 F158	Y24-V91 PolarHBondContact O-N 2.96Å; F25-V91 CarbonylContact C-O 3.51Å; F25-V91 VanDerWaalsContact CA-O 3.26Å; F25-V91 WeakPolarHBondContact CA-O 3.42Å; F25-V91 HydrophobicContact CD2-CB 4.44Å; F25-V91 HydrophobicContact CD2-CG1 4.39Å; F25-V91 WeakPolarHBondContact CD2-O 3.41Å; C26-V91 PolarHBondContact N-O 2.85Å; L46-V91 HydrophobicContact CD1-CB 4.14Å; L46-V91 HydrophobicContact CD1-CG1 4.39Å; L46-V91 HydrophobicContact CD1-CG2 4.39Å; L46-V91 HydrophobicContact CD2-CG2 4.01Å; V89-V91 HydrophobicContact CG1-CG2 4.23Å; V91-L116 CarbonylContact C-O 3.43Å; V91-L116 VanDerWaalsContact CA-O 3.32Å; V91-L116 WeakPolarHBondContact CA-O 3.47Å; V91-L116 HydrophobicContact CG2-CB 4.5Å; V91-L118 HydrophobicContact CG1-CD1 4.08Å; V91-L154 HydrophobicContact CG1-CD2 4.16Å; V91-F158 HydrophobicContact CG2-CZ 4.07Å
92	A	98.7	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.5	-176.3	0	0	0	0	0	111.5	C26 V94 V101 L105 L116 C117 L118	C26-A92 HydrophobicContact CB-CB 3.68Å; C26-A92 WeakPolarHBondContact O-CA 3.33Å; A92-V94 HydrophobicContact CB-CG1 3.83Å; A92-V101 HydrophobicContact CB-CG1 4.33Å; A92-L105 HydrophobicContact CB-CD1 4.26Å; A92-L105 HydrophobicContact CB-CD2 3.86Å; A92-L105 HydrophobicContact CB-CG 4.34Å; A92-L116 PolarHBondContact N-O 2.67Å; A92-C117 CarbonylContact O-C 3.56Å; A92-C117 WeakPolarHBondContact O-CA 3.31Å; A92-L118 PolarHBondContact O-N 2.84Å
93	E	98.6	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.1	163.7	-145.6	-60.9	152.6	0	0	108.1	F25 C26 Y39 I42 T95 R120 Y145	F25-E93 HydrophobicContact CE2-CB 4.3Å; F25-E93 HydrophobicContact CZ-CB 4.12Å; C26-E93 PolarHBondContact O-N 2.75Å; Y39-E93 HydrophobicContact CD1-CB 4.07Å; Y39-E93 HydrophobicContact CD1-CG 4.29Å; Y39-E93 HydrophobicContact CE1-CB 3.66Å; Y39-E93 HydrophobicContact CE1-CG 3.89Å; I42-E93 HydrophobicContact CD1-CB 4.23Å; I42-E93 HydrophobicContact CD1-CG 3.83Å; E93-T95 WeakPolarHBondContact OE1-CB 3.49Å; E93-T95 PolarHBondContact OE1-OG1 2.73Å; E93-T95 VanDerWaalsContact OE2-CB 3.27Å; E93-T95 WeakPolarHBondContact OE2-CB 3.25Å; E93-T95 PolarHBondContact OE2-N 3.49Å; E93-T95 PolarHBondContact OE2-OG1 2.83Å; E93-R120 VanDerWaalsContact CD-NH1 3.34Å; E93-R120 IonicContact OE1-CZ 3.83Å; E93-R120 IonicContact OE1-NH1 2.77Å; E93-R120 PolarHBondContact OE1-NH1 2.95Å; E93-R120 IonicContact OE2-NH1 2.65Å; E93-Y145 WeakPolarHBondContact CG-OH 3.43Å; E93-Y145 PolarHBondContact OE1-OH 2.74Å
94	V	98.6	Very high	97.8	Very high	12 Å²	12	39.2 Å²	39.2	7%	0.073	22%	0.217	C	C	.	.			trans	-118.3	17.4	-168.4	-62.6	0	0	0	0	113.2	A92 V101 L105 C117 L118 F119 L127	A92-V94 HydrophobicContact CB-CG1 3.83Å; V94-V101 HydrophobicContact CG1-CG1 4.03Å; V94-L105 HydrophobicContact CG1-CD1 3.92Å; V94-C117 HydrophobicContact CG1-CB 4.26Å; V94-C117 HydrophobicContact CG2-CB 3.98Å; V94-L118 VanDerWaalsContact CG2-O 3.31Å; V94-L118 WeakPolarHBondContact CG2-O 3.33Å; V94-L118 PolarHBondContact N-O 3.37Å; V94-F119 HydrophobicContact CG2-CB 4.04Å; V94-F119 HydrophobicContact CG2-CD2 4.47Å; V94-L127 HydrophobicContact CB-CD1 3.98Å; V94-L127 HydrophobicContact CG2-CD1 3.61Å; V94-L127 HydrophobicContact CG2-CD2 4.28Å
95	T	98.3	Very high	97.8	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	22%	0.218	C	C	.	.	S	Bend	trans	-69.1	-46.9	178.2	-58.2	0	0	0	0	110.9	E93 P97 F119 R120 S123 R125	E93-T95 WeakPolarHBondContact OE1-CB 3.49Å; E93-T95 PolarHBondContact OE1-OG1 2.73Å; E93-T95 VanDerWaalsContact OE2-CB 3.27Å; E93-T95 WeakPolarHBondContact OE2-CB 3.25Å; E93-T95 PolarHBondContact OE2-N 3.49Å; E93-T95 PolarHBondContact OE2-OG1 2.83Å; T95-P97 WeakPolarHBondContact O-CD 3.4Å; T95-F119 HydrophobicContact CG2-CE2 4.48Å; T95-R120 HydrophobicContact CG2-CB 4.09Å; T95-R120 PolarHBondContact OG1-N 3.02Å; T95-R120 PolarHBondContact OG1-NH1 3.31Å; T95-S123 VanDerWaalsContact CG2-CB 3.47Å; T95-S123 WeakPolarHBondContact CG2-OG 3.26Å; T95-R125 VanDerWaalsContact O-CD 3.25Å; T95-R125 WeakPolarHBondContact O-CD 3.5Å
96	Q	97.8	Very high	97.9	Very high	22 Å²	22	36.4 Å²	36.4	10%	0.103	22%	0.216	C	C	.	.	S	Bend	trans	-83.9	117.6	173.4	-174.9	65.7	19.8	0	0	110.3	G31 S98	G31-Q96 PolarHBondContact O-NE2 3.34Å; Q96-S98 PolarHBondContact O-N 2.89Å
97	P	97.2	Very high	98.1	Very high	84 Å²	84	33.9 Å²	33.9	55%	0.545	20%	0.201	S	C	.	.			trans	-60.5	130.4	179.1	-24	35	0	0	0	112.1	T95	T95-P97 WeakPolarHBondContact O-CD 3.4Å
98	S	97.6	Very high	98.1	Very high	25 Å²	25	33.9 Å²	33.9	18%	0.175	20%	0.201	C	C	.	.			trans	-144.3	127.4	-178.1	168.9	0	0	0	0	111.3	Q96 G100 V101 G102	Q96-S98 PolarHBondContact O-N 2.89Å; S98-G100 VanDerWaalsContact C-N 3.29Å; S98-G100 PolarHBondContact O-N 2.94Å; S98-G100 PolarHBondContact OG-N 2.86Å; S98-V101 PolarHBondContact O-N 2.81Å; S98-V101 PolarHBondContact OG-N 3.01Å; S98-G102 PolarHBondContact O-N 3.33Å
99	L	97.7	Very high	98.2	Very high	165 Å²	165	34 Å²	34	86%	0.864	20%	0.204	S	C	*	.	H	α-helix	trans	-61.5	-39.6	174.1	-67.5	175.9	0	0	0	111.4	Y103	L99-Y103 VanDerWaalsContact O-CB 3.28Å; L99-Y103 WeakPolarHBondContact O-CB 3.49Å; L99-Y103 PolarHBondContact O-N 3.42Å
100	G	96.5	Very high	98.2	Very high	38 Å²	38	37.7 Å²	37.7	39%	0.392	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-50.3	177.6	0	0	0	0	0	111.5	S98 G102 Y103 E104	S98-G100 VanDerWaalsContact C-N 3.29Å; S98-G100 PolarHBondContact O-N 2.94Å; S98-G100 PolarHBondContact OG-N 2.86Å; G100-G102 VanDerWaalsContact C-N 3.35Å; G100-G102 PolarHBondContact O-N 2.97Å; G100-Y103 WeakPolarHBondContact O-CB 3.5Å; G100-Y103 PolarHBondContact O-N 3.13Å; G100-Y103 VanDerWaalsContact O-N 3.14Å; G100-E104 VanDerWaalsContact O-CG 3.3Å; G100-E104 WeakPolarHBondContact O-CG 3.27Å; G100-E104 PolarHBondContact O-N 3.39Å
101	V	98.3	Very high	98.1	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-43.1	179.1	174.7	0	0	0	0	111	C26 G27 A92 V94 S98 Y103 E104 L105	C26-V101 HydrophobicContact CB-CG1 3.98Å; C26-V101 HydrophobicContact CB-CG2 4.23Å; G27-V101 VanDerWaalsContact C-CG2 3.5Å; A92-V101 HydrophobicContact CB-CG1 4.33Å; V94-V101 HydrophobicContact CG1-CG1 4.03Å; S98-V101 PolarHBondContact O-N 2.81Å; S98-V101 PolarHBondContact OG-N 3.01Å; V101-Y103 VanDerWaalsContact C-N 3.33Å; V101-Y103 PolarHBondContact O-N 3.39Å; V101-E104 PolarHBondContact O-N 3.1Å; V101-L105 HydrophobicContact CG1-CD1 3.99Å; V101-L105 HydrophobicContact CG1-CG 4.43Å; V101-L105 WeakPolarHBondContact O-CB 3.32Å; V101-L105 VanDerWaalsContact O-CG 3.3Å; V101-L105 WeakPolarHBondContact O-CG 3.26Å; V101-L105 PolarHBondContact O-N 2.93Å
102	G	98.6	Very high	98	Very high	33 Å²	33	45.3 Å²	45.3	34%	0.34	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-40.4	175.3	0	0	0	0	0	113	S98 G100 G106	S98-G102 PolarHBondContact O-N 3.33Å; G100-G102 VanDerWaalsContact C-N 3.35Å; G100-G102 PolarHBondContact O-N 2.97Å; G102-G106 PolarHBondContact O-N 3.34Å
103	Y	98.6	Very high	98	Very high	105 Å²	105	47.2 Å²	47.2	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-47.6	175.6	178.2	-94.5	0	0	0	111.8	H77 L81 L99 G100 V101 L105 G106 R107	H77-Y103 AromaticContact CD2-CE1 3.84Å; H77-Y103 AromaticContact NE2-CE1 3.47Å; H77-Y103 WeakPolarHBondContact NE2-CE1 3.4Å; H77-Y103 AromaticContact NE2-CZ 3.43Å; H77-Y103 PolarHBondContact NE2-OH 3.32Å; L81-Y103 HydrophobicContact CD2-CE1 4.23Å; L99-Y103 VanDerWaalsContact O-CB 3.28Å; L99-Y103 WeakPolarHBondContact O-CB 3.49Å; L99-Y103 PolarHBondContact O-N 3.42Å; G100-Y103 WeakPolarHBondContact O-CB 3.5Å; G100-Y103 PolarHBondContact O-N 3.13Å; G100-Y103 VanDerWaalsContact O-N 3.14Å; V101-Y103 VanDerWaalsContact C-N 3.33Å; V101-Y103 PolarHBondContact O-N 3.39Å; Y103-L105 PolarHBondContact O-N 3.18Å; Y103-G106 PolarHBondContact O-N 2.91Å; Y103-R107 HydrophobicContact CD1-CG 4.26Å; Y103-R107 HydrophobicContact CE1-CG 3.83Å; Y103-R107 HydrophobicContact CE2-CG 4.4Å; Y103-R107 WeakPolarHBondContact O-CG 3.34Å; Y103-R107 PolarHBondContact O-N 3.03Å; Y103-R107 PolarHBondContact OH-NH1 3.45Å
104	E	98.6	Very high	97.9	Very high	27 Å²	27	48.4 Å²	48.4	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-46.1	177	-69.4	170.1	142.2	0	0	111.5	Y24 C26 G100 V101 G106 R107 A108	Y24-E104 HydrophobicContact CE1-CG 4.49Å; Y24-E104 WeakPolarHBondContact CE1-OE1 3.3Å; Y24-E104 PolarHBondContact OH-OE1 3.07Å; C26-E104 WeakPolarHBondContact CB-OE2 3.34Å; C26-E104 PolarHBondContact SG-OE2 3.37Å; G100-E104 VanDerWaalsContact O-CG 3.3Å; G100-E104 WeakPolarHBondContact O-CG 3.27Å; G100-E104 PolarHBondContact O-N 3.39Å; V101-E104 PolarHBondContact O-N 3.1Å; E104-G106 PolarHBondContact O-N 2.89Å; E104-R107 PolarHBondContact O-N 3.47Å; E104-A108 WeakPolarHBondContact O-CB 3.46Å; E104-A108 PolarHBondContact O-N 3Å
105	L	98.8	Very high	97.9	Very high	3 Å²	3	48 Å²	48	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-43.9	176.9	-73	171.1	0	0	0	112.1	A92 V94 V101 Y103 R107 A108 V109 I115 I131 F140	A92-L105 HydrophobicContact CB-CD1 4.26Å; A92-L105 HydrophobicContact CB-CD2 3.86Å; A92-L105 HydrophobicContact CB-CG 4.34Å; V94-L105 HydrophobicContact CG1-CD1 3.92Å; V101-L105 HydrophobicContact CG1-CD1 3.99Å; V101-L105 HydrophobicContact CG1-CG 4.43Å; V101-L105 WeakPolarHBondContact O-CB 3.32Å; V101-L105 VanDerWaalsContact O-CG 3.3Å; V101-L105 WeakPolarHBondContact O-CG 3.26Å; V101-L105 PolarHBondContact O-N 2.93Å; Y103-L105 PolarHBondContact O-N 3.18Å; L105-R107 VanDerWaalsContact C-N 3.3Å; L105-R107 PolarHBondContact O-N 3.28Å; L105-A108 PolarHBondContact O-N 2.86Å; L105-V109 WeakPolarHBondContact O-CG2 3.14Å; L105-V109 PolarHBondContact O-N 3.05Å; L105-I115 HydrophobicContact CD2-CG2 3.52Å; L105-I131 HydrophobicContact CD1-CD1 3.89Å; L105-I131 HydrophobicContact CD1-CG2 4.43Å; L105-F140 HydrophobicContact CD2-CE2 4.44Å; L105-F140 HydrophobicContact CD2-CZ 4.43Å
106	G	98.5	Very high	98	Very high	44 Å²	44	47.7 Å²	47.7	45%	0.454	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-39.8	175.5	0	0	0	0	0	112.5	G102 Y103 E104 A110	G102-G106 PolarHBondContact O-N 3.34Å; Y103-G106 PolarHBondContact O-N 2.91Å; E104-G106 PolarHBondContact O-N 2.89Å; G106-A110 PolarHBondContact O-N 2.95Å; G106-A110 VanDerWaalsContact O-N 3.16Å
107	R	98.6	Very high	98	Very high	66 Å²	66	46.7 Å²	46.7	25%	0.249	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-39.8	175	-66.7	-61.4	-58.9	-84.6	-0.7	112.3	L81 L84 Y103 E104 L105 V109 A110 F111	L81-R107 HydrophobicContact CD2-CB 4.22Å; L81-R107 HydrophobicContact CD2-CG 4.01Å; L81-R107 VanDerWaalsContact CD2-NH1 3.28Å; L84-R107 HydrophobicContact CD2-CB 3.73Å; Y103-R107 HydrophobicContact CD1-CG 4.26Å; Y103-R107 HydrophobicContact CE1-CG 3.83Å; Y103-R107 HydrophobicContact CE2-CG 4.4Å; Y103-R107 WeakPolarHBondContact O-CG 3.34Å; Y103-R107 PolarHBondContact O-N 3.03Å; Y103-R107 PolarHBondContact OH-NH1 3.45Å; E104-R107 PolarHBondContact O-N 3.47Å; L105-R107 VanDerWaalsContact C-N 3.3Å; L105-R107 PolarHBondContact O-N 3.28Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 3.35Å; R107-A110 PolarHBondContact O-N 3.37Å; R107-F111 HydrophobicContact CB-CE2 4.34Å; R107-F111 WeakPolarHBondContact O-CB 3.4Å; R107-F111 WeakPolarHBondContact O-CD2 3.42Å; R107-F111 VanDerWaalsContact O-CG 3.25Å; R107-F111 WeakPolarHBondContact O-CG 3.42Å; R107-F111 PolarHBondContact O-N 3.2Å
108	A	98.4	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-41.8	176.5	0	0	0	0	0	111.6	L84 V90 E104 L105 F111 N112 K113 I115	L84-A108 HydrophobicContact CD1-CB 4.2Å; L84-A108 HydrophobicContact CD2-CB 4.42Å; V90-A108 HydrophobicContact CG2-CB 3.96Å; E104-A108 WeakPolarHBondContact O-CB 3.46Å; E104-A108 PolarHBondContact O-N 3Å; L105-A108 PolarHBondContact O-N 2.86Å; A108-F111 CarbonylContact O-C 3.53Å; A108-F111 PolarHBondContact O-N 3.4Å; A108-N112 PolarHBondContact O-N 3.45Å; A108-K113 HydrophobicContact CB-CB 4.2Å; A108-K113 HydrophobicContact CB-CG 4.35Å; A108-K113 WeakPolarHBondContact O-CB 3.32Å; A108-K113 PolarHBondContact O-N 3.48Å; A108-I115 HydrophobicContact CB-CD1 3.62Å; A108-I115 HydrophobicContact CB-CG1 3.94Å
109	V	98.3	Very high	98.1	Very high	76 Å²	76	41.8 Å²	41.8	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-59.4	-49.7	172.8	169.8	0	0	0	0	110.6	L105 R107 F111 N112 I115 F140	L105-V109 WeakPolarHBondContact O-CG2 3.14Å; L105-V109 PolarHBondContact O-N 3.05Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 3.35Å; V109-F111 PolarHBondContact O-N 2.97Å; V109-N112 WeakPolarHBondContact O-CA 3.44Å; V109-N112 PolarHBondContact O-N 3.41Å; V109-I115 HydrophobicContact CG2-CD1 3.74Å; V109-F140 HydrophobicContact CG2-CD2 3.52Å; V109-F140 HydrophobicContact CG2-CE2 3.64Å
110	A	97.8	Very high	98.2	Very high	81 Å²	81	35.2 Å²	35.2	67%	0.669	21%	0.208	S	C	*	.	H	α-helix	trans	-62.5	-26.5	178.7	0	0	0	0	0	113.2	G106 R107 N112	G106-A110 PolarHBondContact O-N 2.95Å; G106-A110 VanDerWaalsContact O-N 3.16Å; R107-A110 PolarHBondContact O-N 3.37Å; A110-N112 VanDerWaalsContact C-N 3.31Å
111	F	97.3	Very high	98.2	Very high	57 Å²	57	36.4 Å²	36.4	25%	0.25	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6.9	173.3	-64	-34.4	0	0	0	113.9	L84 Q85 R107 A108 V109 K113	L84-F111 HydrophobicContact CD2-CD2 4.35Å; L84-F111 HydrophobicContact CD2-CE2 4.35Å; L84-F111 HydrophobicContact CG-CD2 4.4Å; Q85-F111 HydrophobicContact CG-CD2 3.95Å; Q85-F111 HydrophobicContact CG-CE1 4.04Å; Q85-F111 HydrophobicContact CG-CE2 3.4Å; Q85-F111 VanDerWaalsContact CG-CE2 3.4Å; Q85-F111 HydrophobicContact CG-CG 4.46Å; Q85-F111 HydrophobicContact CG-CZ 3.41Å; Q85-F111 VanDerWaalsContact CG-CZ 3.41Å; Q85-F111 VanDerWaalsContact NE2-CZ 3.28Å; R107-F111 HydrophobicContact CB-CE2 4.34Å; R107-F111 WeakPolarHBondContact O-CB 3.4Å; R107-F111 WeakPolarHBondContact O-CD2 3.42Å; R107-F111 VanDerWaalsContact O-CG 3.25Å; R107-F111 WeakPolarHBondContact O-CG 3.42Å; R107-F111 PolarHBondContact O-N 3.2Å; A108-F111 CarbonylContact O-C 3.53Å; A108-F111 PolarHBondContact O-N 3.4Å; V109-F111 PolarHBondContact O-N 2.97Å; F111-K113 HydrophobicContact CB-CD 4.32Å; F111-K113 HydrophobicContact CB-CG 3.9Å; F111-K113 PolarHBondContact O-N 2.88Å
112	N	96.3	Very high	98.1	Very high	103 Å²	103	42.6 Å²	42.6	55%	0.551	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	34.9	-179.1	-164.5	33.8	0	0	0	113.5	A108 V109 A110 R139	A108-N112 PolarHBondContact O-N 3.45Å; V109-N112 WeakPolarHBondContact O-CA 3.44Å; V109-N112 PolarHBondContact O-N 3.41Å; A110-N112 VanDerWaalsContact C-N 3.31Å; N112-R139 PolarHBondContact O-NH1 2.89Å; N112-R139 WeakPolarHBondContact OD1-CD 3.28Å; N112-R139 PolarHBondContact OD1-NE 3.37Å
113	K	97.4	Very high	97.9	Very high	39 Å²	39	43.2 Å²	43.2	17%	0.17	24%	0.237	C	C	.	.			trans	-73.5	150.3	178.6	-60	-55.6	-173.6	171.4	0	111	L84 Q85 A87 V90 A108 F111 I115 R139	L84-K113 VanDerWaalsContact O-CE 3.25Å; L84-K113 WeakPolarHBondContact O-CE 3.25Å; Q85-K113 WeakPolarHBondContact O-CE 3.39Å; Q85-K113 PolarHBondContact O-NZ 3.14Å; A87-K113 WeakPolarHBondContact O-CD 3.44Å; A87-K113 WeakPolarHBondContact O-CE 3.35Å; A87-K113 PolarHBondContact O-NZ 2.9Å; V90-K113 HydrophobicContact CG2-CB 4.01Å; V90-K113 HydrophobicContact CG2-CG 4.34Å; A108-K113 HydrophobicContact CB-CB 4.2Å; A108-K113 HydrophobicContact CB-CG 4.35Å; A108-K113 WeakPolarHBondContact O-CB 3.32Å; A108-K113 PolarHBondContact O-N 3.48Å; F111-K113 HydrophobicContact CB-CD 4.32Å; F111-K113 HydrophobicContact CB-CG 3.9Å; F111-K113 PolarHBondContact O-N 2.88Å; K113-I115 HydrophobicContact CB-CG1 4.25Å; K113-R139 VanDerWaalsContact O-CG 3.29Å; K113-R139 WeakPolarHBondContact O-CG 3.12Å
114	R	97.9	Very high	97.8	Very high	26 Å²	26	41.7 Å²	41.7	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.2	165.1	176.8	174	167.7	-156.2	-5.7	108.5	V89 V90 Y157 D161	V89-R114 CarbonylContact C-O 3.59Å; V89-R114 WeakPolarHBondContact CA-O 3.49Å; V89-R114 HydrophobicContact CG1-CG 4.38Å; V89-R114 HydrophobicContact CG2-CB 4.42Å; V89-R114 HydrophobicContact CG2-CG 4.46Å; V90-R114 PolarHBondContact N-O 2.95Å; R114-Y157 VanDerWaalsContact CG-OH 3.24Å; R114-Y157 WeakPolarHBondContact CG-OH 3.2Å; R114-Y157 VanDerWaalsContact NE-CZ 3.3Å; R114-Y157 PolarHBondContact NE-OH 3.22Å; R114-Y157 PolarHBondContact NH2-O 3.34Å; R114-Y157 VanDerWaalsContact NH2-O 3.15Å; R114-D161 VanDerWaalsContact CZ-CG 3.48Å; R114-D161 VanDerWaalsContact CZ-O 3.31Å; R114-D161 IonicContact CZ-OD2 3.84Å; R114-D161 IonicContact NE-OD2 3.68Å; R114-D161 PolarHBondContact NE-OD2 3.33Å; R114-D161 PolarHBondContact NH1-O 2.79Å; R114-D161 IonicContact NH1-OD1 3.9Å; R114-D161 PolarHBondContact NH1-OD1 2.84Å; R114-D161 IonicContact NH1-OD2 2.81Å; R114-D161 PolarHBondContact NH1-OD2 3.09Å; R114-D161 PolarHBondContact NH2-O 3.16Å; R114-D161 IonicContact NH2-OD2 2.74Å
115	I	98.7	Very high	97.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.1	-168.8	-62.3	156.3	0	0	0	109.4	V90 L105 A108 V109 K113 R139 F140 Q141	V90-I115 HydrophobicContact CB-CG1 4.08Å; V90-I115 HydrophobicContact CG2-CG1 4.48Å; V90-I115 CarbonylContact O-C 3.51Å; V90-I115 WeakPolarHBondContact O-CA 3.45Å; L105-I115 HydrophobicContact CD2-CG2 3.52Å; A108-I115 HydrophobicContact CB-CD1 3.62Å; A108-I115 HydrophobicContact CB-CG1 3.94Å; V109-I115 HydrophobicContact CG2-CD1 3.74Å; K113-I115 HydrophobicContact CB-CG1 4.25Å; I115-R139 PolarHBondContact N-O 3.41Å; I115-F140 HydrophobicContact CB-CD2 4Å; I115-F140 HydrophobicContact CB-CE2 4.39Å; I115-F140 HydrophobicContact CB-CG 4.33Å; I115-F140 HydrophobicContact CD1-CD2 3.61Å; I115-F140 HydrophobicContact CD1-CE2 3.97Å; I115-F140 HydrophobicContact CG1-CD2 4.42Å; I115-F140 HydrophobicContact CG2-CD2 3.9Å; I115-F140 HydrophobicContact CG2-CE2 3.8Å; I115-F140 HydrophobicContact CG2-CG 4.32Å; I115-F140 HydrophobicContact CG2-CZ 4.13Å; I115-Q141 PolarHBondContact O-N 3.09Å
116	L	98.7	Very high	97.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.9	168	177.4	65.5	0	0	0	109.6	V90 V91 A92 L118 Q141 W143 L153 L154 Y157	V90-L116 PolarHBondContact O-N 3.22Å; V91-L116 CarbonylContact C-O 3.43Å; V91-L116 VanDerWaalsContact CA-O 3.32Å; V91-L116 WeakPolarHBondContact CA-O 3.47Å; V91-L116 HydrophobicContact CG2-CB 4.5Å; A92-L116 PolarHBondContact N-O 2.67Å; L116-L118 HydrophobicContact CD1-CD2 4.38Å; L116-L118 HydrophobicContact CD2-CD2 3.97Å; L116-L118 HydrophobicContact CG-CD2 4.02Å; L116-L118 HydrophobicContact CG-CG 4.44Å; L116-Q141 HydrophobicContact CD1-CB 4.16Å; L116-W143 HydrophobicContact CD1-CB 4.28Å; L116-W143 HydrophobicContact CD1-CD2 3.89Å; L116-W143 HydrophobicContact CD1-CG 3.78Å; L116-L153 HydrophobicContact CD2-CD2 4.38Å; L116-L154 HydrophobicContact CD2-CD2 4.17Å; L116-Y157 HydrophobicContact CB-CE1 4.06Å; L116-Y157 HydrophobicContact CB-CE2 4Å; L116-Y157 HydrophobicContact CD1-CD2 4.06Å; L116-Y157 HydrophobicContact CD1-CE2 4Å; L116-Y157 HydrophobicContact CD2-CD1 3.78Å; L116-Y157 HydrophobicContact CD2-CD2 3.88Å; L116-Y157 HydrophobicContact CD2-CE1 4.03Å; L116-Y157 HydrophobicContact CD2-CE2 4.15Å; L116-Y157 HydrophobicContact CD2-CG 3.67Å; L116-Y157 HydrophobicContact CG-CD2 4.39Å; L116-Y157 HydrophobicContact CG-CE2 4.27Å
117	C	98.8	Very high	97.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.9	168.1	-64.1	0	0	0	0	110.1	A92 V94 Q141 V142 W143	A92-C117 CarbonylContact O-C 3.56Å; A92-C117 WeakPolarHBondContact O-CA 3.31Å; V94-C117 HydrophobicContact CG1-CB 4.26Å; V94-C117 HydrophobicContact CG2-CB 3.98Å; C117-Q141 PolarHBondContact N-O 3.08Å; C117-V142 HydrophobicContact CB-CB 4.38Å; C117-V142 HydrophobicContact CB-CG1 4.47Å; C117-V142 HydrophobicContact CB-CG2 3.88Å; C117-V142 WeakPolarHBondContact O-CA 3.3Å; C117-W143 PolarHBondContact O-N 2.72Å
118	L	98.8	Very high	97.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.5	177.1	-59.3	176	0	0	0	108.9	I42 V91 A92 V94 L116 W143 Y145 V150 L153 L154	I42-L118 HydrophobicContact CD1-CD1 4.34Å; V91-L118 HydrophobicContact CG1-CD1 4.08Å; A92-L118 PolarHBondContact O-N 2.84Å; V94-L118 VanDerWaalsContact CG2-O 3.31Å; V94-L118 WeakPolarHBondContact CG2-O 3.33Å; V94-L118 PolarHBondContact N-O 3.37Å; L116-L118 HydrophobicContact CD1-CD2 4.38Å; L116-L118 HydrophobicContact CD2-CD2 3.97Å; L116-L118 HydrophobicContact CG-CD2 4.02Å; L116-L118 HydrophobicContact CG-CG 4.44Å; L118-W143 HydrophobicContact CD2-CB 4.47Å; L118-Y145 HydrophobicContact CB-CD1 3.96Å; L118-Y145 HydrophobicContact CB-CE1 3.59Å; L118-V150 HydrophobicContact CD1-CG2 4.12Å; L118-L153 HydrophobicContact CD2-CD1 4.32Å; L118-L153 HydrophobicContact CD2-CD2 3.5Å; L118-L154 HydrophobicContact CD1-CD2 4.22Å
119	F	98.7	Very high	97.5	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.8	-178.8	178.7	-107.6	0	0	0	111.6	V94 T95 P121 R125 L127 R132 W143 D144 Y145	V94-F119 HydrophobicContact CG2-CB 4.04Å; V94-F119 HydrophobicContact CG2-CD2 4.47Å; T95-F119 HydrophobicContact CG2-CE2 4.48Å; F119-P121 HydrophobicContact CD1-CG 4.09Å; F119-P121 HydrophobicContact CE1-CB 4.28Å; F119-P121 HydrophobicContact CE1-CG 4.16Å; F119-P121 WeakPolarHBondContact O-CD 3.34Å; F119-R125 WeakPolarHBondContact CZ-O 3.42Å; F119-L127 HydrophobicContact CB-CD2 4.22Å; F119-L127 HydrophobicContact CD1-CB 4.13Å; F119-L127 HydrophobicContact CD2-CB 3.85Å; F119-L127 HydrophobicContact CD2-CD1 3.91Å; F119-L127 HydrophobicContact CD2-CD2 4.49Å; F119-L127 HydrophobicContact CD2-CG 4.29Å; F119-L127 HydrophobicContact CE1-CB 4.07Å; F119-L127 HydrophobicContact CE2-CB 3.81Å; F119-L127 HydrophobicContact CE2-CD1 4.35Å; F119-L127 HydrophobicContact CG-CB 4.02Å; F119-L127 HydrophobicContact CG-CD1 4.45Å; F119-L127 HydrophobicContact CG-CD2 4.22Å; F119-L127 HydrophobicContact CG-CG 4.46Å; F119-L127 HydrophobicContact CZ-CB 3.92Å; F119-R132 VanDerWaalsContact CD1-NH2 3.35Å; F119-W143 PolarHBondContact N-O 3.36Å; F119-D144 WeakPolarHBondContact CD1-OD1 3.32Å; F119-D144 CarbonylContact O-C 3.47Å; F119-D144 VanDerWaalsContact O-CA 3.27Å; F119-D144 WeakPolarHBondContact O-CA 3.47Å; F119-Y145 WeakPolarHBondContact O-CD1 3.39Å; F119-Y145 PolarHBondContact O-N 3.41Å
120	R	98.2	Very high	97.5	Very high	27 Å²	27	58.4 Å²	58.4	10%	0.102	35%	0.345	C	S	.	.			trans	-103.9	102.5	176.3	-56.1	-166.9	-51.5	-71.3	5.4	111.2	D35 E93 T95 Q122 S123 Y145	D35-R120 IonicContact OD1-CZ 3.18Å; D35-R120 IonicContact OD1-NH1 3.05Å; D35-R120 IonicContact OD1-NH2 2.61Å; D35-R120 PolarHBondContact OD1-NH2 3.43Å; D35-R120 IonicContact OD2-CZ 2.85Å; D35-R120 IonicContact OD2-NH1 3.49Å; D35-R120 PolarHBondContact OD2-NH1 3.18Å; D35-R120 IonicContact OD2-NH2 3.8Å; D35-R120 PolarHBondContact OD2-NH2 3.27Å; E93-R120 VanDerWaalsContact CD-NH1 3.34Å; E93-R120 IonicContact OE1-CZ 3.83Å; E93-R120 IonicContact OE1-NH1 2.77Å; E93-R120 PolarHBondContact OE1-NH1 2.95Å; E93-R120 IonicContact OE2-NH1 2.65Å; T95-R120 HydrophobicContact CG2-CB 4.09Å; T95-R120 PolarHBondContact OG1-N 3.02Å; T95-R120 PolarHBondContact OG1-NH1 3.31Å; R120-Q122 PolarHBondContact O-N 3.19Å; R120-S123 VanDerWaalsContact O-CB 3.28Å; R120-S123 WeakPolarHBondContact O-CB 3.31Å; R120-S123 PolarHBondContact O-N 3.04Å; R120-S123 VanDerWaalsContact O-N 3.13Å; R120-S123 PolarHBondContact O-OG 3.25Å; R120-Y145 WeakPolarHBondContact CA-O 3.28Å; R120-Y145 HydrophobicContact CB-CE1 4.49Å; R120-Y145 WeakPolarHBondContact CD-OH 3.41Å; R120-Y145 HydrophobicContact CG-CD1 3.9Å; R120-Y145 HydrophobicContact CG-CE1 3.28Å; R120-Y145 HydrophobicContact CG-CE2 3.99Å; R120-Y145 HydrophobicContact CG-CG 4.47Å
121	P	97.5	Very high	97.6	Very high	63 Å²	63	55.9 Å²	55.9	41%	0.409	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.2	-28.8	177.5	-21.4	32.9	0	0	0	113.1	F119 S123 G124 D144	F119-P121 HydrophobicContact CD1-CG 4.09Å; F119-P121 HydrophobicContact CE1-CB 4.28Å; F119-P121 HydrophobicContact CE1-CG 4.16Å; F119-P121 WeakPolarHBondContact O-CD 3.34Å; P121-S123 PolarHBondContact O-N 3.47Å; P121-S123 VanDerWaalsContact O-N 3.11Å; P121-G124 PolarHBondContact O-N 2.67Å; P121-D144 HydrophobicContact CG-CB 3.73Å
122	Q	95.7	Very high	97.6	Very high	136 Å²	136	57.7 Å²	57.7	64%	0.636	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-65	-12	177.9	-63.3	-175.2	-7.1	0	0	113.7	R120 G124 E146	R120-Q122 PolarHBondContact O-N 3.19Å; Q122-G124 PolarHBondContact O-N 2.97Å; Q122-G124 VanDerWaalsContact O-N 3.16Å; Q122-E146 PolarHBondContact NE2-OE1 3.24Å; Q122-E146 PolarHBondContact NE2-OE2 2.97Å
123	S	95.3	Very high	97.7	Very high	47 Å²	47	55.9 Å²	55.9	33%	0.329	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-64.2	-12.5	172.9	64.8	0	0	0	0	113.9	T95 R120 P121 R125	T95-S123 VanDerWaalsContact CG2-CB 3.47Å; T95-S123 WeakPolarHBondContact CG2-OG 3.26Å; R120-S123 VanDerWaalsContact O-CB 3.28Å; R120-S123 WeakPolarHBondContact O-CB 3.31Å; R120-S123 PolarHBondContact O-N 3.04Å; R120-S123 VanDerWaalsContact O-N 3.13Å; R120-S123 PolarHBondContact O-OG 3.25Å; P121-S123 PolarHBondContact O-N 3.47Å; P121-S123 VanDerWaalsContact O-N 3.11Å; S123-R125 PolarHBondContact O-N 3.36Å; S123-R125 PolarHBondContact OG-N 3.39Å
124	G	95.4	Very high	97.7	Very high	72 Å²	72	56 Å²	56	74%	0.742	34%	0.339	S	S	*	.	S	Bend	trans	74.6	1.1	-173	0	0	0	0	0	113.6	P121 Q122	P121-G124 PolarHBondContact O-N 2.67Å; Q122-G124 PolarHBondContact O-N 2.97Å; Q122-G124 VanDerWaalsContact O-N 3.16Å
125	R	95.4	Very high	97.7	Very high	112 Å²	112	56.7 Å²	56.7	42%	0.423	35%	0.349	S	S	.	.			trans	-87.4	162.1	174.4	-60.8	-177.6	-178.1	-80.2	8.8	110.6	T95 F119 S123	T95-R125 VanDerWaalsContact O-CD 3.25Å; T95-R125 WeakPolarHBondContact O-CD 3.5Å; F119-R125 WeakPolarHBondContact CZ-O 3.42Å; S123-R125 PolarHBondContact O-N 3.36Å; S123-R125 PolarHBondContact OG-N 3.39Å
126	V	97.4	Very high	97.6	Very high	140 Å²	140	61.1 Å²	61.1	85%	0.848	37%	0.373	S	S	*	.			trans	-111.2	126.7	167.9	-178.7	0	0	0	0	107.7
127	L	98.3	Very high	97.1	Very high	15 Å²	15	64.2 Å²	64.2	8%	0.079	41%	0.405	C	S	.	.			trans	-60.9	141.6	176.9	-178.3	60.8	0	0	0	110.5	V94 F119 A129 I131 R132 V142	V94-L127 HydrophobicContact CB-CD1 3.98Å; V94-L127 HydrophobicContact CG2-CD1 3.61Å; V94-L127 HydrophobicContact CG2-CD2 4.28Å; F119-L127 HydrophobicContact CB-CD2 4.22Å; F119-L127 HydrophobicContact CD1-CB 4.13Å; F119-L127 HydrophobicContact CD2-CB 3.85Å; F119-L127 HydrophobicContact CD2-CD1 3.91Å; F119-L127 HydrophobicContact CD2-CD2 4.49Å; F119-L127 HydrophobicContact CD2-CG 4.29Å; F119-L127 HydrophobicContact CE1-CB 4.07Å; F119-L127 HydrophobicContact CE2-CB 3.81Å; F119-L127 HydrophobicContact CE2-CD1 4.35Å; F119-L127 HydrophobicContact CG-CB 4.02Å; F119-L127 HydrophobicContact CG-CD1 4.45Å; F119-L127 HydrophobicContact CG-CD2 4.22Å; F119-L127 HydrophobicContact CG-CG 4.46Å; F119-L127 HydrophobicContact CZ-CB 3.92Å; L127-A129 PolarHBondContact O-N 3.05Å; L127-I131 HydrophobicContact CD1-CB 4.29Å; L127-I131 HydrophobicContact CD1-CG2 4.24Å; L127-I131 HydrophobicContact CD2-CG2 4.23Å; L127-I131 HydrophobicContact CG-CB 4.4Å; L127-I131 HydrophobicContact CG-CG2 4.47Å; L127-R132 HydrophobicContact CD2-CB 4.16Å; L127-V142 HydrophobicContact CD2-CG1 3.57Å
128	S	98.2	Very high	96.8	Very high	63 Å²	63	67.8 Å²	67.8	44%	0.441	43%	0.43	S	S	.	.			trans	-49.3	129.6	174.8	173.6	0	0	0	0	111.9	M130 I131 R132	S128-M130 PolarHBondContact O-N 3.16Å; S128-M130 PolarHBondContact OG-N 3.05Å; S128-I131 PolarHBondContact O-N 3.49Å; S128-R132 PolarHBondContact O-N 3Å
129	A	98.3	Very high	96.6	Very high	84 Å²	84	72.2 Å²	72.2	69%	0.694	45%	0.447	S	S	*	.	H	α-helix	trans	-58.6	-30.3	176.5	0	0	0	0	0	112.4	L127 G133	L127-A129 PolarHBondContact O-N 3.05Å; A129-G133 WeakPolarHBondContact O-CA 3.48Å; A129-G133 PolarHBondContact O-N 2.71Å
130	M	98.3	Very high	96.6	Very high	154 Å²	154	72.4 Å²	72.4	76%	0.759	45%	0.447	S	S	*	.	H	α-helix	trans	-67.9	-37.9	176.4	-66.5	-64.7	-67.7	0	0	112.1	S128 A134	S128-M130 PolarHBondContact O-N 3.16Å; S128-M130 PolarHBondContact OG-N 3.05Å; M130-A134 WeakPolarHBondContact O-CB 3.21Å; M130-A134 PolarHBondContact O-N 2.82Å
131	I	98.5	Very high	96.6	Very high	28 Å²	28	73 Å²	73	14%	0.144	45%	0.451	C	S	.	.	H	α-helix	trans	-76.8	-45.9	178	-58.6	-55.8	0	0	0	110.1	L105 L127 S128 G133 A134 F140	L105-I131 HydrophobicContact CD1-CD1 3.89Å; L105-I131 HydrophobicContact CD1-CG2 4.43Å; L127-I131 HydrophobicContact CD1-CB 4.29Å; L127-I131 HydrophobicContact CD1-CG2 4.24Å; L127-I131 HydrophobicContact CD2-CG2 4.23Å; L127-I131 HydrophobicContact CG-CB 4.4Å; L127-I131 HydrophobicContact CG-CG2 4.47Å; S128-I131 PolarHBondContact O-N 3.49Å; I131-G133 VanDerWaalsContact C-N 3.35Å; I131-G133 PolarHBondContact O-N 3.25Å; I131-A134 PolarHBondContact O-N 3.22Å; I131-F140 HydrophobicContact CG2-CE1 4.46Å; I131-F140 HydrophobicContact CG2-CZ 4.32Å
132	R	98.4	Very high	96.6	Very high	95 Å²	95	71.2 Å²	71.2	36%	0.358	44%	0.439	S	S	.	.	H	α-helix	trans	-64.7	-39.3	178.8	-167.7	166	-69.5	-95.7	-3.1	112.2	F119 L127 S128 A134 A135 D144	F119-R132 VanDerWaalsContact CD1-NH2 3.35Å; L127-R132 HydrophobicContact CD2-CB 4.16Å; S128-R132 PolarHBondContact O-N 3Å; R132-A134 VanDerWaalsContact C-N 3.32Å; R132-A135 WeakPolarHBondContact O-CB 3.35Å; R132-A135 PolarHBondContact O-N 3.44Å; R132-D144 IonicContact CZ-OD1 2.76Å; R132-D144 IonicContact CZ-OD2 3.06Å; R132-D144 IonicContact NH1-OD1 3.41Å; R132-D144 PolarHBondContact NH1-OD1 2.85Å; R132-D144 IonicContact NH1-OD2 3.76Å; R132-D144 PolarHBondContact NH1-OD2 3.15Å; R132-D144 IonicContact NH2-OD1 3.5Å; R132-D144 PolarHBondContact NH2-OD1 3.45Å; R132-D144 IonicContact NH2-OD2 3.71Å; R132-D144 PolarHBondContact NH2-OD2 3.47Å
133	G	98.3	Very high	96.8	Very high	64 Å²	64	68 Å²	68	66%	0.66	42%	0.421	S	S	*	.	H	α-helix	trans	-75.5	-15.4	178	0	0	0	0	0	114.7	A129 I131 A135	A129-G133 WeakPolarHBondContact O-CA 3.48Å; A129-G133 PolarHBondContact O-N 2.71Å; I131-G133 VanDerWaalsContact C-N 3.35Å; I131-G133 PolarHBondContact O-N 3.25Å; G133-A135 VanDerWaalsContact C-N 3.27Å
134	A	97.9	Very high	96.9	Very high	43 Å²	43	69.3 Å²	69.3	36%	0.355	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.4	172.5	0	0	0	0	0	112.9	M130 I131 R132 D136 F140	M130-A134 WeakPolarHBondContact O-CB 3.21Å; M130-A134 PolarHBondContact O-N 2.82Å; I131-A134 PolarHBondContact O-N 3.22Å; R132-A134 VanDerWaalsContact C-N 3.32Å; A134-D136 PolarHBondContact O-N 3.37Å; A134-F140 HydrophobicContact CB-CD1 4.42Å; A134-F140 HydrophobicContact CB-CD2 4.36Å; A134-F140 HydrophobicContact CB-CE1 4.18Å; A134-F140 HydrophobicContact CB-CE2 4.12Å; A134-F140 HydrophobicContact CB-CZ 4.03Å
135	A	97.7	Very high	97	Very high	39 Å²	39	66 Å²	66	32%	0.322	39%	0.39	S	S	.	.			trans	-67.9	123.3	178.1	0	0	0	0	0	111.1	R132 G133 F140 V142	R132-A135 WeakPolarHBondContact O-CB 3.35Å; R132-A135 PolarHBondContact O-N 3.44Å; G133-A135 VanDerWaalsContact C-N 3.27Å; A135-F140 CarbonylContact C-O 3.47Å; A135-F140 VanDerWaalsContact CA-O 3.28Å; A135-F140 WeakPolarHBondContact CA-O 3.29Å; A135-F140 HydrophobicContact CB-CD1 4.12Å; A135-V142 HydrophobicContact CB-CB 4.35Å; A135-V142 HydrophobicContact CB-CG2 3.88Å
136	D	95.6	Very high	97.2	Very high	96 Å²	96	65.8 Å²	65.8	51%	0.513	39%	0.394	S	S	.	.			trans	-102.9	-1.3	176.5	62.7	22.7	0	0	0	112.4	A134 S138 R139 F140	A134-D136 PolarHBondContact O-N 3.37Å; D136-S138 PolarHBondContact O-N 2.91Å; D136-S138 WeakPolarHBondContact OD1-CA 3.4Å; D136-S138 PolarHBondContact OD1-N 2.94Å; D136-S138 PolarHBondContact OD1-OG 3.03Å; D136-R139 PolarHBondContact OD1-N 2.76Å; D136-F140 PolarHBondContact N-O 3.47Å; D136-F140 PolarHBondContact OD1-N 3.15Å
137	G	88.6	Confident	97.1	Very high	64 Å²	64	63.1 Å²	63.1	66%	0.66	37%	0.372	S	S	*	.	S	Bend	trans	76.9	5.7	-179.5	0	0	0	0	0	114.2	F140	G137-F140 PolarHBondContact N-O 3.12Å
138	S	92	Very high	97	Very high	76 Å²	76	65.9 Å²	65.9	53%	0.531	40%	0.404	S	S	.	.	S	Bend	trans	-131.5	-82.8	-178	63.2	0	0	0	0	111.5	D136 Q141	D136-S138 PolarHBondContact O-N 2.91Å; D136-S138 WeakPolarHBondContact OD1-CA 3.4Å; D136-S138 PolarHBondContact OD1-N 2.94Å; D136-S138 PolarHBondContact OD1-OG 3.03Å; S138-Q141 WeakPolarHBondContact O-CG 3.41Å; S138-Q141 PolarHBondContact O-NE2 3.44Å
139	R	94.5	Very high	97	Very high	93 Å²	93	66.4 Å²	66.4	35%	0.351	40%	0.4	S	S	.	.	S	Bend	trans	-82.5	-32.9	-177.1	-171.6	175.2	-68.3	-91.4	-8	111.7	N112 K113 I115 D136	N112-R139 PolarHBondContact O-NH1 2.89Å; N112-R139 WeakPolarHBondContact OD1-CD 3.28Å; N112-R139 PolarHBondContact OD1-NE 3.37Å; K113-R139 VanDerWaalsContact O-CG 3.29Å; K113-R139 WeakPolarHBondContact O-CG 3.12Å; I115-R139 PolarHBondContact N-O 3.41Å; D136-R139 PolarHBondContact OD1-N 2.76Å
140	F	98.4	Very high	97	Very high	9 Å²	9	62.4 Å²	62.4	4%	0.039	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.7	169.6	-163.8	-62.9	0	0	0	109.1	L105 V109 I115 I131 A134 A135 D136 G137 V142	L105-F140 HydrophobicContact CD2-CE2 4.44Å; L105-F140 HydrophobicContact CD2-CZ 4.43Å; V109-F140 HydrophobicContact CG2-CD2 3.52Å; V109-F140 HydrophobicContact CG2-CE2 3.64Å; I115-F140 HydrophobicContact CB-CD2 4Å; I115-F140 HydrophobicContact CB-CE2 4.39Å; I115-F140 HydrophobicContact CB-CG 4.33Å; I115-F140 HydrophobicContact CD1-CD2 3.61Å; I115-F140 HydrophobicContact CD1-CE2 3.97Å; I115-F140 HydrophobicContact CG1-CD2 4.42Å; I115-F140 HydrophobicContact CG2-CD2 3.9Å; I115-F140 HydrophobicContact CG2-CE2 3.8Å; I115-F140 HydrophobicContact CG2-CG 4.32Å; I115-F140 HydrophobicContact CG2-CZ 4.13Å; I131-F140 HydrophobicContact CG2-CE1 4.46Å; I131-F140 HydrophobicContact CG2-CZ 4.32Å; A134-F140 HydrophobicContact CB-CD1 4.42Å; A134-F140 HydrophobicContact CB-CD2 4.36Å; A134-F140 HydrophobicContact CB-CE1 4.18Å; A134-F140 HydrophobicContact CB-CE2 4.12Å; A134-F140 HydrophobicContact CB-CZ 4.03Å; A135-F140 CarbonylContact C-O 3.47Å; A135-F140 VanDerWaalsContact CA-O 3.28Å; A135-F140 WeakPolarHBondContact CA-O 3.29Å; A135-F140 HydrophobicContact CB-CD1 4.12Å; D136-F140 PolarHBondContact N-O 3.47Å; D136-F140 PolarHBondContact OD1-N 3.15Å; G137-F140 PolarHBondContact N-O 3.12Å; F140-V142 HydrophobicContact CD1-CG2 4.27Å; F140-V142 HydrophobicContact CE1-CG2 3.8Å
141	Q	98.5	Very high	96.9	Very high	39 Å²	39	58.2 Å²	58.2	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.4	-179.9	-61.2	-176.3	53.7	0	0	110.7	I115 L116 C117 S138	I115-Q141 PolarHBondContact O-N 3.09Å; L116-Q141 HydrophobicContact CD1-CB 4.16Å; C117-Q141 PolarHBondContact N-O 3.08Å; S138-Q141 WeakPolarHBondContact O-CG 3.41Å; S138-Q141 PolarHBondContact O-NE2 3.44Å
142	V	98.6	Very high	96.9	Very high	26 Å²	26	59.5 Å²	59.5	16%	0.158	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.3	172	176.3	0	0	0	0	106.9	C117 L127 A135 F140	C117-V142 HydrophobicContact CB-CB 4.38Å; C117-V142 HydrophobicContact CB-CG1 4.47Å; C117-V142 HydrophobicContact CB-CG2 3.88Å; C117-V142 WeakPolarHBondContact O-CA 3.3Å; L127-V142 HydrophobicContact CD2-CG1 3.57Å; A135-V142 HydrophobicContact CB-CB 4.35Å; A135-V142 HydrophobicContact CB-CG2 3.88Å; F140-V142 HydrophobicContact CD1-CG2 4.27Å; F140-V142 HydrophobicContact CE1-CG2 3.8Å
143	W	98.4	Very high	96.9	Very high	68 Å²	68	55.1 Å²	55.1	26%	0.258	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.3	179	-67.9	14.6	0	0	0	109	L116 C117 L118 F119 L153 Y157	L116-W143 HydrophobicContact CD1-CB 4.28Å; L116-W143 HydrophobicContact CD1-CD2 3.89Å; L116-W143 HydrophobicContact CD1-CG 3.78Å; C117-W143 PolarHBondContact O-N 2.72Å; L118-W143 HydrophobicContact CD2-CB 4.47Å; F119-W143 PolarHBondContact N-O 3.36Å; W143-L153 HydrophobicContact CB-CD1 4.37Å; W143-L153 HydrophobicContact CD2-CD2 4.28Å; W143-L153 HydrophobicContact CE3-CD1 3.93Å; W143-L153 HydrophobicContact CE3-CD2 3.27Å; W143-L153 HydrophobicContact CE3-CG 3.45Å; W143-L153 VanDerWaalsContact CE3-CG 3.45Å; W143-L153 HydrophobicContact CZ3-CD2 3.66Å; W143-L153 HydrophobicContact CZ3-CG 3.81Å; W143-Y157 AromaticContact CH2-CD2 3.87Å; W143-Y157 HydrophobicContact CH2-CD2 3.87Å; W143-Y157 HydrophobicContact CH2-CG 4.36Å; W143-Y157 AromaticContact CZ2-CD2 3.81Å; W143-Y157 HydrophobicContact CZ2-CD2 3.81Å
144	D	98.5	Very high	96.9	Very high	75 Å²	75	52 Å²	52	40%	0.401	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.2	171.6	-65.5	-24.6	0	0	0	108.4	F119 P121 R132	F119-D144 WeakPolarHBondContact CD1-OD1 3.32Å; F119-D144 CarbonylContact O-C 3.47Å; F119-D144 VanDerWaalsContact O-CA 3.27Å; F119-D144 WeakPolarHBondContact O-CA 3.47Å; P121-D144 HydrophobicContact CG-CB 3.73Å; R132-D144 IonicContact CZ-OD1 2.76Å; R132-D144 IonicContact CZ-OD2 3.06Å; R132-D144 IonicContact NH1-OD1 3.41Å; R132-D144 PolarHBondContact NH1-OD1 2.85Å; R132-D144 IonicContact NH1-OD2 3.76Å; R132-D144 PolarHBondContact NH1-OD2 3.15Å; R132-D144 IonicContact NH2-OD1 3.5Å; R132-D144 PolarHBondContact NH2-OD1 3.45Å; R132-D144 IonicContact NH2-OD2 3.71Å; R132-D144 PolarHBondContact NH2-OD2 3.47Å
145	Y	98.3	Very high	96.9	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.016	30%	0.303	C	S	.	.			trans	-149.5	163.6	-174.9	80.9	-68.7	0	0	0	113.7	L38 E93 L118 F119 R120 E149 V150 L153	L38-Y145 VanDerWaalsContact CD2-OH 3.27Å; L38-Y145 WeakPolarHBondContact CD2-OH 3.24Å; E93-Y145 WeakPolarHBondContact CG-OH 3.43Å; E93-Y145 PolarHBondContact OE1-OH 2.74Å; L118-Y145 HydrophobicContact CB-CD1 3.96Å; L118-Y145 HydrophobicContact CB-CE1 3.59Å; F119-Y145 WeakPolarHBondContact O-CD1 3.39Å; F119-Y145 PolarHBondContact O-N 3.41Å; R120-Y145 WeakPolarHBondContact CA-O 3.28Å; R120-Y145 HydrophobicContact CB-CE1 4.49Å; R120-Y145 WeakPolarHBondContact CD-OH 3.41Å; R120-Y145 HydrophobicContact CG-CD1 3.9Å; R120-Y145 HydrophobicContact CG-CE1 3.28Å; R120-Y145 HydrophobicContact CG-CE2 3.99Å; R120-Y145 HydrophobicContact CG-CG 4.47Å; Y145-E149 WeakPolarHBondContact CA-OE1 3.22Å; Y145-E149 WeakPolarHBondContact CB-OE1 3.06Å; Y145-V150 HydrophobicContact CD2-CB 3.81Å; Y145-V150 HydrophobicContact CD2-CG2 3.97Å; Y145-V150 HydrophobicContact CE2-CB 3.57Å; Y145-V150 HydrophobicContact CE2-CG2 3.53Å; Y145-L153 VanDerWaalsContact CB-CD1 3.49Å; Y145-L153 HydrophobicContact CG-CD1 4.26Å
146	E	97.8	Very high	96.8	Very high	106 Å²	106	56.1 Å²	56.1	50%	0.495	31%	0.312	S	S	.	.			trans	-99.5	146.5	166.4	-55.1	-170.8	178.1	0	0	111.5	Q122 G148 E149	Q122-E146 PolarHBondContact NE2-OE1 3.24Å; Q122-E146 PolarHBondContact NE2-OE2 2.97Å; E146-G148 PolarHBondContact O-N 3.49Å; E146-E149 HydrophobicContact CB-CG 4.09Å; E146-E149 PolarHBondContact N-OE1 3.37Å; E146-E149 WeakPolarHBondContact O-CG 3.37Å; E146-E149 PolarHBondContact O-N 2.88Å
147	E	96.6	Very high	96.9	Very high	85 Å²	85	51.8 Å²	51.8	40%	0.397	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.1	-31.8	-173.9	175.6	170.6	156.5	0	0	114.1	L38 R41 E149	L38-E147 HydrophobicContact CD1-CG 3.91Å; L38-E147 HydrophobicContact CD2-CG 4.26Å; R41-E147 PolarHBondContact NH1-O 3.03Å; R41-E147 VanDerWaalsContact NH1-O 3.12Å; R41-E147 IonicContact NH1-OE1 3.75Å; R41-E147 PolarHBondContact NH1-OE1 3.21Å; R41-E147 PolarHBondContact NH2-O 3.1Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 2.63Å
148	G	96.8	Very high	97.2	Very high	73 Å²	73	49 Å²	49	75%	0.753	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-68.9	-23.4	-179.9	0	0	0	0	0	114.4	E146	E146-G148 PolarHBondContact O-N 3.49Å
149	E	96.8	Very high	97.3	Very high	74 Å²	74	52.3 Å²	52.3	35%	0.346	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-103.8	-0.8	-172.9	56.4	170.5	-170.5	0	0	114.2	Y145 E146 E147 E151 A152 L153	Y145-E149 WeakPolarHBondContact CA-OE1 3.22Å; Y145-E149 WeakPolarHBondContact CB-OE1 3.06Å; E146-E149 HydrophobicContact CB-CG 4.09Å; E146-E149 PolarHBondContact N-OE1 3.37Å; E146-E149 WeakPolarHBondContact O-CG 3.37Å; E146-E149 PolarHBondContact O-N 2.88Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 2.63Å; E149-E151 PolarHBondContact O-N 3.31Å; E149-E151 VanDerWaalsContact O-N 3.11Å; E149-A152 PolarHBondContact O-N 2.77Å; E149-A152 VanDerWaalsContact O-N 3.15Å; E149-L153 WeakPolarHBondContact O-CB 3.4Å; E149-L153 PolarHBondContact O-N 2.97Å
150	V	98.1	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-54.3	-38.1	-172.8	73	0	0	0	0	113.6	L38 I42 L118 Y145 L153 L154	L38-V150 HydrophobicContact CD1-CG1 4.02Å; I42-V150 HydrophobicContact CD1-CG2 4.07Å; I42-V150 HydrophobicContact CG1-CG2 3.68Å; L118-V150 HydrophobicContact CD1-CG2 4.12Å; Y145-V150 HydrophobicContact CD2-CB 3.81Å; Y145-V150 HydrophobicContact CD2-CG2 3.97Å; Y145-V150 HydrophobicContact CE2-CB 3.57Å; Y145-V150 HydrophobicContact CE2-CG2 3.53Å; V150-L153 PolarHBondContact O-N 3.24Å; V150-L154 VanDerWaalsContact O-CG 3.26Å; V150-L154 WeakPolarHBondContact O-CG 3.28Å; V150-L154 PolarHBondContact O-N 3.48Å
151	E	97.8	Very high	96.7	Very high	66 Å²	66	54.5 Å²	54.5	31%	0.308	30%	0.297	S	S	.	.	H	α-helix	trans	-71.5	-44.8	-177.7	-69.3	156.6	-147.3	0	0	111.7	R41 R45 E149 L153 L154 D155	R41-E151 IonicContact CZ-OE1 3.56Å; R41-E151 IonicContact NE-OE1 3.56Å; R41-E151 PolarHBondContact NE-OE1 3.11Å; R41-E151 VanDerWaalsContact NE-OE1 3.1Å; R41-E151 IonicContact NH2-OE1 3.39Å; R41-E151 PolarHBondContact NH2-OE1 2.65Å; R45-E151 HydrophobicContact CB-CG 4.34Å; R45-E151 HydrophobicContact CG-CB 4.27Å; R45-E151 HydrophobicContact CG-CG 4.27Å; E149-E151 PolarHBondContact O-N 3.31Å; E149-E151 VanDerWaalsContact O-N 3.11Å; E151-L153 VanDerWaalsContact C-N 3.28Å; E151-L153 PolarHBondContact O-N 3.01Å; E151-L154 PolarHBondContact O-N 3.44Å; E151-D155 PolarHBondContact O-N 3.14Å
152	A	97.8	Very high	96.1	Very high	54 Å²	54	55.2 Å²	55.2	45%	0.446	30%	0.304	S	S	.	.	H	α-helix	trans	-67.4	-31.8	176.5	0	0	0	0	0	111.8	E149 R156	E149-A152 PolarHBondContact O-N 2.77Å; E149-A152 VanDerWaalsContact O-N 3.15Å; A152-R156 WeakPolarHBondContact O-CG 3.35Å; A152-R156 PolarHBondContact O-N 2.88Å; A152-R156 VanDerWaalsContact O-N 3.07Å
153	L	97.8	Very high	95.2	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-48.1	173.5	-173.6	160.6	0	0	0	111.3	L116 L118 W143 Y145 E149 V150 E151 D155 R156 Y157	L116-L153 HydrophobicContact CD2-CD2 4.38Å; L118-L153 HydrophobicContact CD2-CD1 4.32Å; L118-L153 HydrophobicContact CD2-CD2 3.5Å; W143-L153 HydrophobicContact CB-CD1 4.37Å; W143-L153 HydrophobicContact CD2-CD2 4.28Å; W143-L153 HydrophobicContact CE3-CD1 3.93Å; W143-L153 HydrophobicContact CE3-CD2 3.27Å; W143-L153 HydrophobicContact CE3-CG 3.45Å; W143-L153 VanDerWaalsContact CE3-CG 3.45Å; W143-L153 HydrophobicContact CZ3-CD2 3.66Å; W143-L153 HydrophobicContact CZ3-CG 3.81Å; Y145-L153 VanDerWaalsContact CB-CD1 3.49Å; Y145-L153 HydrophobicContact CG-CD1 4.26Å; E149-L153 WeakPolarHBondContact O-CB 3.4Å; E149-L153 PolarHBondContact O-N 2.97Å; V150-L153 PolarHBondContact O-N 3.24Å; E151-L153 VanDerWaalsContact C-N 3.28Å; E151-L153 PolarHBondContact O-N 3.01Å; L153-D155 VanDerWaalsContact C-N 3.31Å; L153-D155 PolarHBondContact O-N 3.39Å; L153-R156 PolarHBondContact O-N 3.41Å; L153-Y157 PolarHBondContact O-N 3.12Å
154	L	98.1	Very high	93.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-41.5	176	-70	170.7	0	0	0	111.5	I42 R45 L46 F49 V91 L116 L118 V150 E151 Y157 F158	I42-L154 HydrophobicContact CG2-CD1 4.06Å; R45-L154 HydrophobicContact CB-CD1 4Å; R45-L154 HydrophobicContact CG-CB 4.27Å; R45-L154 HydrophobicContact CG-CD1 4.09Å; L46-L154 HydrophobicContact CD2-CD1 4.26Å; L46-L154 HydrophobicContact CD2-CD2 3.97Å; F49-L154 HydrophobicContact CE2-CB 4.49Å; V91-L154 HydrophobicContact CG1-CD2 4.16Å; L116-L154 HydrophobicContact CD2-CD2 4.17Å; L118-L154 HydrophobicContact CD1-CD2 4.22Å; V150-L154 VanDerWaalsContact O-CG 3.26Å; V150-L154 WeakPolarHBondContact O-CG 3.28Å; V150-L154 PolarHBondContact O-N 3.48Å; E151-L154 PolarHBondContact O-N 3.44Å; L154-Y157 PolarHBondContact O-N 2.75Å; L154-F158 HydrophobicContact CD2-CE2 4.33Å; L154-F158 VanDerWaalsContact O-CD2 3.22Å; L154-F158 WeakPolarHBondContact O-CD2 3.38Å; L154-F158 PolarHBondContact O-N 3.35Å; L154-F158 VanDerWaalsContact O-N 3.09Å
155	D	97.7	Very high	91.7	Very high	31 Å²	31	57.5 Å²	57.5	17%	0.166	33%	0.33	C	S	.	.	H	α-helix	trans	-55.3	-54.1	174.1	-66	-24.3	0	0	0	111.3	R45 F49 E151 L153 Y157 F158 E159	R45-D155 IonicContact CZ-OD1 2.73Å; R45-D155 IonicContact CZ-OD2 3.1Å; R45-D155 IonicContact NE-OD1 3.46Å; R45-D155 PolarHBondContact NE-OD1 3.48Å; R45-D155 IonicContact NE-OD2 2.95Å; R45-D155 IonicContact NH2-OD1 3.39Å; R45-D155 PolarHBondContact NH2-OD1 2.97Å; R45-D155 IonicContact NH2-OD2 3.36Å; R45-D155 PolarHBondContact NH2-OD2 3.07Å; F49-D155 WeakPolarHBondContact CZ-OD1 3.36Å; E151-D155 PolarHBondContact O-N 3.14Å; L153-D155 VanDerWaalsContact C-N 3.31Å; L153-D155 PolarHBondContact O-N 3.39Å; D155-Y157 VanDerWaalsContact C-N 3.28Å; D155-Y157 PolarHBondContact O-N 3.38Å; D155-F158 PolarHBondContact O-N 3.26Å; D155-E159 WeakPolarHBondContact O-CB 3.34Å; D155-E159 VanDerWaalsContact O-CG 3.27Å; D155-E159 WeakPolarHBondContact O-CG 2.86Å; D155-E159 PolarHBondContact O-N 2.99Å
156	R	97.1	Very high	89.4	Confident	137 Å²	137	63.8 Å²	63.8	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-57.1	-41.1	178.5	-73.2	-174.5	-62.9	169	-0.9	112.7	A152 L153 A160	A152-R156 WeakPolarHBondContact O-CG 3.35Å; A152-R156 PolarHBondContact O-N 2.88Å; A152-R156 VanDerWaalsContact O-N 3.07Å; L153-R156 PolarHBondContact O-N 3.41Å; R156-A160 VanDerWaalsContact O-CB 3.3Å; R156-A160 WeakPolarHBondContact O-CB 3.4Å; R156-A160 PolarHBondContact O-N 2.7Å
157	Y	96.7	Very high	87	Confident	4 Å²	4	62 Å²	62	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-64.2	-43.9	-179.2	177.5	-101.4	0	0	0	112.8	V89 R114 L116 W143 L153 L154 D155 D161	V89-Y157 HydrophobicContact CG1-CE1 4.09Å; R114-Y157 VanDerWaalsContact CG-OH 3.24Å; R114-Y157 WeakPolarHBondContact CG-OH 3.2Å; R114-Y157 VanDerWaalsContact NE-CZ 3.3Å; R114-Y157 PolarHBondContact NE-OH 3.22Å; R114-Y157 PolarHBondContact NH2-O 3.34Å; R114-Y157 VanDerWaalsContact NH2-O 3.15Å; L116-Y157 HydrophobicContact CB-CE1 4.06Å; L116-Y157 HydrophobicContact CB-CE2 4Å; L116-Y157 HydrophobicContact CD1-CD2 4.06Å; L116-Y157 HydrophobicContact CD1-CE2 4Å; L116-Y157 HydrophobicContact CD2-CD1 3.78Å; L116-Y157 HydrophobicContact CD2-CD2 3.88Å; L116-Y157 HydrophobicContact CD2-CE1 4.03Å; L116-Y157 HydrophobicContact CD2-CE2 4.15Å; L116-Y157 HydrophobicContact CD2-CG 3.67Å; L116-Y157 HydrophobicContact CG-CD2 4.39Å; L116-Y157 HydrophobicContact CG-CE2 4.27Å; W143-Y157 AromaticContact CH2-CD2 3.87Å; W143-Y157 HydrophobicContact CH2-CD2 3.87Å; W143-Y157 HydrophobicContact CH2-CG 4.36Å; W143-Y157 AromaticContact CZ2-CD2 3.81Å; W143-Y157 HydrophobicContact CZ2-CD2 3.81Å; L153-Y157 PolarHBondContact O-N 3.12Å; L154-Y157 PolarHBondContact O-N 2.75Å; D155-Y157 VanDerWaalsContact C-N 3.28Å; D155-Y157 PolarHBondContact O-N 3.38Å; Y157-D161 PolarHBondContact O-N 3.02Å
158	F	95.8	Very high	84.3	Confident	5 Å²	5	62.3 Å²	62.3	2%	0.022	39%	0.389	C	S	.	.	H	α-helix	trans	-83.2	-20.5	179.9	-70.3	-68.5	0	0	0	113.3	L23 L46 F49 V89 V91 L154 D155 D161 P162 P163	L23-F158 HydrophobicContact CD2-CE1 3.7Å; L23-F158 HydrophobicContact CD2-CE2 4.25Å; L23-F158 HydrophobicContact CD2-CZ 3.38Å; L46-F158 HydrophobicContact CD2-CE2 3.52Å; L46-F158 HydrophobicContact CD2-CZ 3.95Å; F49-F158 HydrophobicContact CB-CD1 4.34Å; F49-F158 HydrophobicContact CB-CD2 4.29Å; F49-F158 HydrophobicContact CB-CG 4.16Å; F49-F158 HydrophobicContact CD1-CB 3.52Å; F49-F158 HydrophobicContact CD1-CD2 4.1Å; F49-F158 AromaticContact CD1-CG 3.9Å; F49-F158 HydrophobicContact CD1-CG 3.9Å; F49-F158 HydrophobicContact CD2-CB 4.36Å; F49-F158 AromaticContact CD2-CD2 3.33Å; F49-F158 HydrophobicContact CD2-CD2 3.33Å; F49-F158 AromaticContact CD2-CE2 3.77Å; F49-F158 HydrophobicContact CD2-CE2 3.77Å; F49-F158 AromaticContact CD2-CG 3.93Å; F49-F158 HydrophobicContact CD2-CG 3.93Å; F49-F158 HydrophobicContact CE1-CB 3.65Å; F49-F158 HydrophobicContact CE1-CD2 4.28Å; F49-F158 HydrophobicContact CE1-CG 4.27Å; F49-F158 HydrophobicContact CE2-CB 4.47Å; F49-F158 AromaticContact CE2-CD2 3.56Å; F49-F158 HydrophobicContact CE2-CD2 3.56Å; F49-F158 HydrophobicContact CE2-CE2 4.2Å; F49-F158 HydrophobicContact CE2-CG 4.32Å; F49-F158 HydrophobicContact CG-CB 3.9Å; F49-F158 HydrophobicContact CG-CD1 4.38Å; F49-F158 AromaticContact CG-CD2 3.63Å; F49-F158 HydrophobicContact CG-CD2 3.63Å; F49-F158 HydrophobicContact CG-CE2 4.26Å; F49-F158 AromaticContact CG-CG 3.71Å; F49-F158 HydrophobicContact CG-CG 3.71Å; F49-F158 HydrophobicContact CZ-CB 4.13Å; F49-F158 HydrophobicContact CZ-CD2 4.02Å; F49-F158 HydrophobicContact CZ-CG 4.46Å; V89-F158 HydrophobicContact CB-CE1 4.36Å; V89-F158 HydrophobicContact CG1-CE1 4.06Å; V89-F158 HydrophobicContact CG1-CZ 4.24Å; V89-F158 HydrophobicContact CG2-CE1 4.3Å; V91-F158 HydrophobicContact CG2-CZ 4.07Å; L154-F158 HydrophobicContact CD2-CE2 4.33Å; L154-F158 VanDerWaalsContact O-CD2 3.22Å; L154-F158 WeakPolarHBondContact O-CD2 3.38Å; L154-F158 PolarHBondContact O-N 3.35Å; L154-F158 VanDerWaalsContact O-N 3.09Å; D155-F158 PolarHBondContact O-N 3.26Å; F158-D161 CarbonylContact O-C 3.6Å; F158-P162 VanDerWaalsContact O-CA 3.3Å; F158-P162 WeakPolarHBondContact O-CA 3.44Å; F158-P163 HydrophobicContact CD1-CB 4.48Å; F158-P163 HydrophobicContact CD1-CG 3.95Å; F158-P163 HydrophobicContact CE1-CG 4.31Å
159	E	93.8	Very high	81.7	Confident	147 Å²	147	63.9 Å²	63.9	69%	0.687	39%	0.389	S	S	*	.	H	α-helix	trans	-71.3	-41	168.2	-77.1	174.4	-178.1	0	0	112	D155 D161	D155-E159 WeakPolarHBondContact O-CB 3.34Å; D155-E159 VanDerWaalsContact O-CG 3.27Å; D155-E159 WeakPolarHBondContact O-CG 2.86Å; D155-E159 PolarHBondContact O-N 2.99Å; E159-D161 VanDerWaalsContact C-N 3.34Å; E159-D161 PolarHBondContact O-N 3.43Å
160	A	91.3	Very high	79.2	Confident	87 Å²	87	66.1 Å²	66.1	72%	0.719	41%	0.41	S	S	*	.	H	α-helix	trans	-67.2	-34.8	-179.6	0	0	0	0	0	112.8	R156	R156-A160 VanDerWaalsContact O-CB 3.3Å; R156-A160 WeakPolarHBondContact O-CB 3.4Å; R156-A160 PolarHBondContact O-N 2.7Å
161	D	88.3	Confident	76.5	Confident	61 Å²	61	72.2 Å²	72.2	33%	0.326	44%	0.442	S	S	.	.	S	Bend	trans	-147.2	98.5	176.2	176.4	14.2	0	0	0	108.8	R114 Y157 F158 E159	R114-D161 VanDerWaalsContact CZ-CG 3.48Å; R114-D161 VanDerWaalsContact CZ-O 3.31Å; R114-D161 IonicContact CZ-OD2 3.84Å; R114-D161 IonicContact NE-OD2 3.68Å; R114-D161 PolarHBondContact NE-OD2 3.33Å; R114-D161 PolarHBondContact NH1-O 2.79Å; R114-D161 IonicContact NH1-OD1 3.9Å; R114-D161 PolarHBondContact NH1-OD1 2.84Å; R114-D161 IonicContact NH1-OD2 2.81Å; R114-D161 PolarHBondContact NH1-OD2 3.09Å; R114-D161 PolarHBondContact NH2-O 3.16Å; R114-D161 IonicContact NH2-OD2 2.74Å; Y157-D161 PolarHBondContact O-N 3.02Å; F158-D161 CarbonylContact O-C 3.6Å; E159-D161 VanDerWaalsContact C-N 3.34Å; E159-D161 PolarHBondContact O-N 3.43Å
162	P	87.1	Confident	74.1	Confident	53 Å²	53	74.7 Å²	74.7	34%	0.344	46%	0.464	S	S	.	.			trans	-66.1	140.1	-178.7	-23.9	34.9	0	0	0	113.1	F158	F158-P162 VanDerWaalsContact O-CA 3.3Å; F158-P162 WeakPolarHBondContact O-CA 3.44Å
163	P	78.3	Confident	71.7	Confident	27 Å²	27	79 Å²	79	18%	0.175	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	140.1	-179.4	26.1	-26	0	0	0	110.9	P21 F49 V89 F158	P21-P163 HydrophobicContact CB-CB 3.63Å; P21-P163 HydrophobicContact CB-CG 4.05Å; P21-P163 HydrophobicContact CG-CB 3.82Å; P21-P163 HydrophobicContact CG-CG 3.92Å; P21-P163 VanDerWaalsContact CG-O 3.31Å; P21-P163 WeakPolarHBondContact CG-O 3.46Å; F49-P163 HydrophobicContact CB-CG 4.29Å; V89-P163 HydrophobicContact CG2-CB 4.18Å; F158-P163 HydrophobicContact CD1-CB 4.48Å; F158-P163 HydrophobicContact CD1-CG 3.95Å; F158-P163 HydrophobicContact CE1-CG 4.31Å
164	G	66.5	Low	69.3	Low	53 Å²	53	89.1 Å²	89.1	55%	0.546	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	-3.8	-176.6	0	0	0	0	0	115.4	V166	G164-V166 PolarHBondContact O-N 3.11Å
165	Q	57.1	Low	67.9	Low	137 Å²	137	93.6 Å²	93.6	64%	0.64	57%	0.568	S	S	*	*			trans	-76.6	102.8	162.2	-71.5	-173.5	7.8	0	0	108.7	A167	Q165-A167 PolarHBondContact O-N 3.49Å
166	V	50.8	Low	66.3	Low	137 Å²	137	96.8 Å²	96.8	83%	0.83	59%	0.589	S	S	*	*			trans	-63.3	107.3	167.3	-176.2	0	0	0	0	106.2	G164 A168	G164-V166 PolarHBondContact O-N 3.11Å; V166-A168 PolarHBondContact O-N 3.46Å
167	A	46.6	Very low	64.6	Low	67 Å²	67	94.6 Å²	94.6	55%	0.554	59%	0.593	S	S	*	*			trans	-52.6	113.8	166.6	0	0	0	0	0	106.6	Q165 S169	Q165-A167 PolarHBondContact O-N 3.49Å; A167-S169 PolarHBondContact O-N 3.15Å
168	A	41.2	Very low	62.7	Low	92 Å²	92	99.9 Å²	99.9	76%	0.76	63%	0.627	S	S	*	*			trans	-52.9	114	173	0	0	0	0	0	106.7	V166	V166-A168 PolarHBondContact O-N 3.46Å
169	S	40.6	Very low	60.6	Low	106 Å²	106	105.9 Å²	105.9	74%	0.741	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-54.7	131	171.1	-76.8	0	0	0	0	107.4	A167 D171	A167-S169 PolarHBondContact O-N 3.15Å; S169-D171 PolarHBondContact O-N 2.87Å; S169-D171 VanDerWaalsContact O-N 3.15Å
170	P	45.1	Very low	58.4	Low	122 Å²	122	103.1 Å²	103.1	79%	0.792	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-60.9	122.4	160.7	21.2	-19.7	0	0	0	106.1
171	D	40.7	Very low	56.1	Low	127 Å²	127	104.3 Å²	104.3	68%	0.679	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-49.6	125.2	176.2	-155.6	-4	0	0	0	108.4	S169 L173	S169-D171 PolarHBondContact O-N 2.87Å; S169-D171 VanDerWaalsContact O-N 3.15Å; D171-L173 PolarHBondContact O-N 2.9Å
172	P	48.9	Very low	53.6	Low	118 Å²	118	107.6 Å²	107.6	77%	0.766	69%	0.685	S	S	*	*	S	Bend	trans	-78.1	51.9	178.9	32.8	-34.1	0	0	0	110.4
173	L	47.4	Very low	50.8	Low	146 Å²	146	112.2 Å²	112.2	76%	0.764	71%	0.714	S	S	*	*			trans	-154.9	71.5	174.4	-78.1	178.2	0	0	0	111.1	D171	D171-L173 PolarHBondContact O-N 2.9Å
174	T	46.3	Very low	48.3	Very low	214 Å²	214	119.9 Å²	119.9	100%	1.313	76%	0.762	S	S	*	*			trans	-153.9	0	143.9	41.2	0	0	0	0	109.6

Retrieved 174 of 174 residues in 39 ms (Link to these results)

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