A0A087X995_POEFO Loading...

NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Parts of the peripheral arm of the enzyme, where the electrons from NADH are accepted by flavin mononucleotide (FMN) and then passed along a chain of iron-sulfur clusters by electron tunnelling to the final acceptor ubiquinone. Contains one iron-sulfur cluster.

AlphaFold DB , UniProt , Accession A0A087X995, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 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	39.3	Very low	38.4	Very low	237 Å²	237	146.9 Å²	146.9	100%	1.167	83%	0.828	S	S	*	*				0	80.5	0	-77.5	172.1	165	0	0	108.4
2	F	37	Very low	38.7	Very low	214 Å²	214	143.8 Å²	143.8	94%	0.939	82%	0.823	S	S	*	*			trans	-139.2	100	176.3	-82.3	-79.5	0	0	0	106.9
3	L	37.3	Very low	38.6	Very low	185 Å²	185	147.8 Å²	147.8	97%	0.969	83%	0.83	S	S	*	*			trans	-110.2	115.2	166.2	-96.1	150.3	0	0	0	106.9
4	S	38.8	Very low	38.7	Very low	89 Å²	89	143.5 Å²	143.5	62%	0.622	82%	0.823	S	S	*	*			trans	-52.1	142.1	-173.5	170.7	0	0	0	0	114.1	A6	S4-A6 PolarHBondContact O-N 2.76Å; S4-A6 VanDerWaalsContact O-N 3.08Å; S4-A6 WeakPolarHBondContact OG-CB 3.5Å; S4-A6 PolarHBondContact OG-N 3.08Å
5	S	43.7	Very low	38.8	Very low	119 Å²	119	140.1 Å²	140.1	83%	0.832	82%	0.819	S	S	*	*	G	3₁₀ helix	trans	-68.3	5.4	175	65.3	0	0	0	0	114.5	V7	S5-V7 VanDerWaalsContact C-N 3.3Å; S5-V7 PolarHBondContact O-N 3.29Å
6	A	42.3	Very low	39.2	Very low	74 Å²	74	144.7 Å²	144.7	61%	0.612	82%	0.818	S	S	*	*	G	3₁₀ helix	trans	-76.2	-5.4	-173.8	0	0	0	0	0	115.6	S4	S4-A6 PolarHBondContact O-N 2.76Å; S4-A6 VanDerWaalsContact O-N 3.08Å; S4-A6 WeakPolarHBondContact OG-CB 3.5Å; S4-A6 PolarHBondContact OG-N 3.08Å
7	V	38.7	Very low	39.7	Very low	123 Å²	123	146.3 Å²	146.3	75%	0.745	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-93.3	-8.9	-174	-174.6	0	0	0	0	113.5	S5	S5-V7 VanDerWaalsContact C-N 3.3Å; S5-V7 PolarHBondContact O-N 3.29Å
8	R	37	Very low	39.9	Very low	244 Å²	244	143.9 Å²	143.9	92%	0.921	81%	0.807	S	S	*	*	S	Bend	trans	-90.5	-4.2	-178.1	-74.9	-173.7	-176.7	-159.6	0.9	115.8
9	S	36.3	Very low	40.8	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	79%	0.786	S	S	*	*	S	Bend	trans	-97.5	-3.6	-175	-169.1	0	0	0	0	115.2
10	A	34.7	Very low	41.2	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	77%	0.773	S	S	*	*	S	Bend	trans	-101.6	2.8	-169.5	0	0	0	0	0	115.3
11	V	37.3	Very low	41.1	Very low	132 Å²	132	139.7 Å²	139.7	80%	0.8	78%	0.781	S	S	*	*	S	Bend	trans	-104.7	-3.3	-172.6	-174.9	0	0	0	0	113.3
12	S	41.5	Very low	41.3	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	75%	0.749	S	S	*	*	S	Bend	trans	-99.4	-5.6	-170	-174.6	0	0	0	0	116.4
13	Q	37.9	Very low	41.2	Very low	195 Å²	195	131.3 Å²	131.3	91%	0.911	74%	0.742	S	S	*	*	S	Bend	trans	-113	0.2	-175.7	-94.7	177.6	-13.5	0	0	115	A15	Q13-A15 VanDerWaalsContact C-N 3.33Å; Q13-A15 PolarHBondContact O-N 3.44Å
14	A	39.3	Very low	41.4	Very low	88 Å²	88	128.6 Å²	128.6	73%	0.727	74%	0.739	S	S	*	*			trans	-98.3	33.2	176.1	0	0	0	0	0	112.5	R16	A14-R16 PolarHBondContact O-N 2.84Å
15	A	40.9	Very low	41.4	Very low	93 Å²	93	127.2 Å²	127.2	77%	0.769	73%	0.733	S	S	*	*			trans	-74	79.9	170	0	0	0	0	0	109.4	Q13 Q17	Q13-A15 VanDerWaalsContact C-N 3.33Å; Q13-A15 PolarHBondContact O-N 3.44Å; A15-Q17 PolarHBondContact O-N 3.31Å
16	R	45.8	Very low	41.3	Very low	213 Å²	213	126.5 Å²	126.5	80%	0.804	73%	0.734	S	S	*	*			trans	26.9	86	146.4	-76.3	179.2	157.5	-177.1	-5.5	115.6	A14 V18	A14-R16 PolarHBondContact O-N 2.84Å; R16-V18 HydrophobicContact CB-CB 4.28Å; R16-V18 HydrophobicContact CB-CG2 3.76Å; R16-V18 HydrophobicContact CG-CG2 3.66Å; R16-V18 PolarHBondContact O-N 3.47Å
17	Q	46.6	Very low	41.5	Very low	172 Å²	172	129.7 Å²	129.7	80%	0.804	73%	0.73	S	S	*	*			trans	-70.2	78	138.5	-89.1	-174.5	-23.9	0	0	107.5	A15	A15-Q17 PolarHBondContact O-N 3.31Å
18	V	44.3	Very low	41.7	Very low	103 Å²	103	126.8 Å²	126.8	62%	0.624	72%	0.719	S	S	*	*			trans	-110.1	82.8	168	-179.8	0	0	0	0	105.9	R16	R16-V18 HydrophobicContact CB-CB 4.28Å; R16-V18 HydrophobicContact CB-CG2 3.76Å; R16-V18 HydrophobicContact CG-CG2 3.66Å; R16-V18 PolarHBondContact O-N 3.47Å
19	R	56.8	Low	42.2	Very low	112 Å²	112	117 Å²	117	42%	0.423	69%	0.694	S	S	.	*			trans	-85.3	111.7	151.7	-91	179	163.4	-178.2	14.5	106.1	H22 D141	R19-H22 VanDerWaalsContact CB-NE2 3.33Å; R19-H22 WeakPolarHBondContact CB-NE2 3.4Å; R19-H22 WeakPolarHBondContact CD-NE2 3.44Å; R19-H22 WeakPolarHBondContact CG-NE2 3.47Å; R19-H22 PolarHBondContact NE-NE2 3.15Å; R19-D141 IonicContact CZ-OD1 2.64Å; R19-D141 IonicContact CZ-OD2 3.01Å; R19-D141 IonicContact NE-OD2 2.76Å; R19-D141 IonicContact NH1-OD1 2.69Å; R19-D141 PolarHBondContact NH1-OD1 2.8Å; R19-D141 IonicContact NH1-OD2 3.27Å; R19-D141 PolarHBondContact NH1-OD2 2.99Å; R19-D141 IonicContact NH2-OD1 3.34Å; R19-D141 PolarHBondContact NH2-OD1 3.19Å; R19-D141 IonicContact NH2-OD2 2.96Å
20	G	47.5	Very low	42.8	Very low	51 Å²	51	112.9 Å²	112.9	53%	0.526	67%	0.667	S	S	.	*			trans	-52.2	150.5	167	0	0	0	0	0	108.8	H22	G20-H22 VanDerWaalsContact C-N 3.33Å; G20-H22 PolarHBondContact O-N 3.26Å
21	L	40.5	Very low	43.7	Very low	180 Å²	180	109.2 Å²	109.2	94%	0.942	64%	0.638	S	S	*	*			trans	-33.8	96.8	175.4	-75.3	157.5	0	0	0	110.2	Q23	L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 3.03Å
22	H	42.2	Very low	45.1	Very low	105 Å²	105	104.5 Å²	104.5	49%	0.486	62%	0.615	S	S	.	*			trans	-70.6	105.8	171.6	-78.3	-61.9	0	0	0	103.9	R19 G20 S24	R19-H22 VanDerWaalsContact CB-NE2 3.33Å; R19-H22 WeakPolarHBondContact CB-NE2 3.4Å; R19-H22 WeakPolarHBondContact CD-NE2 3.44Å; R19-H22 WeakPolarHBondContact CG-NE2 3.47Å; R19-H22 PolarHBondContact NE-NE2 3.15Å; G20-H22 VanDerWaalsContact C-N 3.33Å; G20-H22 PolarHBondContact O-N 3.26Å; H22-S24 PolarHBondContact O-N 3.41Å
23	Q	36.4	Very low	47.1	Very low	171 Å²	171	103 Å²	103	80%	0.799	60%	0.598	S	S	*	*			trans	-50.6	132	151.9	-70.1	-176.5	-35.7	0	0	105.5	L21 A25	L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 3.03Å; Q23-A25 PolarHBondContact O-N 2.92Å
24	S	40.3	Very low	49.5	Very low	128 Å²	128	100.8 Å²	100.8	90%	0.895	59%	0.586	S	S	*	*			trans	-60.8	65.1	151.1	-56.7	0	0	0	0	107.1	H22 A26	H22-S24 PolarHBondContact O-N 3.41Å; S24-A26 PolarHBondContact O-N 3.41Å
25	A	39.3	Very low	52	Low	60 Å²	60	100.9 Å²	100.9	50%	0.496	58%	0.577	S	S	.	*			trans	-57.3	125	157.4	0	0	0	0	0	102.8	Q23 R27	Q23-A25 PolarHBondContact O-N 2.92Å; A25-R27 PolarHBondContact O-N 2.96Å
26	A	40.8	Very low	54.5	Low	104 Å²	104	100.1 Å²	100.1	86%	0.86	56%	0.557	S	S	*	*			trans	-54.5	85.6	162.7	0	0	0	0	0	106.1	S24 A28	S24-A26 PolarHBondContact O-N 3.41Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 2.98Å
27	R	46.5	Very low	56.8	Low	141 Å²	141	98 Å²	98	53%	0.532	55%	0.549	S	S	.	.			trans	-65.2	109.6	169.5	-76.7	-171.3	174.8	175	-1.3	101.7	A25 G29 E168	A25-R27 PolarHBondContact O-N 2.96Å; R27-G29 PolarHBondContact O-N 3.47Å; R27-E168 IonicContact CZ-OE2 3.85Å; R27-E168 IonicContact NH1-OE2 3.28Å; R27-E168 PolarHBondContact NH1-OE2 3.21Å
28	A	43.4	Very low	59.1	Low	62 Å²	62	95.1 Å²	95.1	51%	0.512	54%	0.54	S	S	.	.			trans	-33.3	107.8	171.7	0	0	0	0	0	108.4	A26	A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 2.98Å
29	G	48.8	Very low	61.5	Low	39 Å²	39	93.3 Å²	93.3	40%	0.402	53%	0.529	S	S	.	.			trans	-52.6	173.1	157.4	0	0	0	0	0	108.5	R27 G31 G32	R27-G29 PolarHBondContact O-N 3.47Å; G29-G31 CarbonylContact O-C 3.57Å; G29-G31 PolarHBondContact O-N 3.23Å; G29-G32 PolarHBondContact O-N 2.93Å
30	A	47.8	Very low	63.2	Low	25 Å²	25	93.7 Å²	93.7	21%	0.207	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-17.1	-172.3	0	0	0	0	0	115.2	L118 K120 F126 I167	A30-L118 HydrophobicContact CB-CD2 3.72Å; A30-K120 WeakPolarHBondContact O-CD 3.42Å; A30-F126 HydrophobicContact CB-CE2 4.24Å; A30-F126 HydrophobicContact CB-CZ 4.24Å; A30-I167 HydrophobicContact CB-CD1 4Å
31	G	53.7	Low	65.2	Low	10 Å²	10	97.6 Å²	97.6	10%	0.103	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-120.5	45.1	170.4	0	0	0	0	0	117.1	G29 I33 R119	G29-G31 CarbonylContact O-C 3.57Å; G29-G31 PolarHBondContact O-N 3.23Å; G31-I33 CarbonylContact O-C 3.33Å; G31-I33 PolarHBondContact O-N 2.95Å; G31-R119 PolarHBondContact O-NH2 3.31Å
32	G	66.6	Low	67.7	Low	32 Å²	32	89.9 Å²	89.9	33%	0.33	51%	0.514	S	S	.	.			trans	-44.1	-0.1	-175.5	0	0	0	0	0	121.5	G29	G29-G32 PolarHBondContact O-N 2.93Å
33	I	82.7	Confident	70.2	Confident	80 Å²	80	86.3 Å²	86.3	41%	0.41	50%	0.499	S	S	.	.			trans	-110	121.6	166.9	-56.8	172.7	0	0	0	107.9	G31 V35 R119	G31-I33 CarbonylContact O-C 3.33Å; G31-I33 PolarHBondContact O-N 2.95Å; I33-V35 VanDerWaalsContact C-N 3.32Å; I33-V35 HydrophobicContact CG2-CG2 3.51Å; I33-V35 WeakPolarHBondContact CG2-O 3.39Å; I33-R119 PolarHBondContact O-NH1 3.37Å; I33-R119 PolarHBondContact O-NH2 2.91Å
34	F	89.9	Confident	72.9	Confident	148 Å²	148	81.2 Å²	81.2	65%	0.649	48%	0.481	S	S	*	.			trans	-90	6.4	179.8	-64	-75.4	0	0	0	114.2
35	V	91.9	Very high	75.4	Confident	89 Å²	89	82.1 Å²	82.1	54%	0.539	48%	0.475	S	S	.	.	S	Bend	trans	-114.1	141.7	173	-62.6	0	0	0	0	109.7	I33	I33-V35 VanDerWaalsContact C-N 3.32Å; I33-V35 HydrophobicContact CG2-CG2 3.51Å; I33-V35 WeakPolarHBondContact CG2-O 3.39Å
36	H	93.5	Very high	77.9	Confident	78 Å²	78	80.3 Å²	80.3	36%	0.361	46%	0.458	S	S	.	.			trans	-86.7	144.3	174.9	-173.5	72	0	0	0	110.6	D38 N42 I90	H36-D38 IonicContact CD2-OD1 2.64Å; H36-D38 PolarHBondContact CD2-OD1 3.41Å; H36-D38 IonicContact NE2-OD1 2.92Å; H36-D38 PolarHBondContact NE2-OD1 3.35Å; H36-D38 VanDerWaalsContact NE2-OD1 3.15Å; H36-N42 PolarHBondContact CE1-O 3.03Å; H36-N42 PolarHBondContact NE2-O 3.41Å; H36-I90 HydrophobicContact CB-CD1 4.31Å; H36-I90 VanDerWaalsContact CD2-CD1 3.4Å; H36-I90 WeakPolarHBondContact CD2-CD1 3.38Å
37	R	94	Very high	80.3	Confident	167 Å²	167	81.2 Å²	81.2	63%	0.63	46%	0.455	S	S	*	.			trans	-134.7	131.5	167.2	-66.5	-176.4	-175.5	79.6	0.7	106.6	T39	R37-T39 PolarHBondContact O-N 2.95Å
38	D	95.3	Very high	82.6	Confident	113 Å²	113	75.3 Å²	75.3	60%	0.604	43%	0.434	S	S	*	.			trans	-63.8	130	-177.7	-60.4	-28.4	0	0	0	109.8	H36 N43	H36-D38 IonicContact CD2-OD1 2.64Å; H36-D38 PolarHBondContact CD2-OD1 3.41Å; H36-D38 IonicContact NE2-OD1 2.92Å; H36-D38 PolarHBondContact NE2-OD1 3.35Å; H36-D38 VanDerWaalsContact NE2-OD1 3.15Å; D38-N43 HydrophobicContact CB-CB 4.15Å
39	T	93.6	Very high	85.1	Confident	64 Å²	64	77.1 Å²	77.1	39%	0.393	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-123.5	162.4	172.1	57.7	0	0	0	0	108.3	R37 D41 N42 N43	R37-T39 PolarHBondContact O-N 2.95Å; T39-D41 PolarHBondContact O-N 3.23Å; T39-N42 PolarHBondContact N-O 3.34Å; T39-N42 CarbonylContact O-C 3.58Å; T39-N42 VanDerWaalsContact O-C 3.32Å; T39-N42 PolarHBondContact O-N 2.89Å; T39-N42 WeakPolarHBondContact OG1-CB 3.23Å; T39-N42 PolarHBondContact OG1-N 3.28Å; T39-N42 PolarHBondContact OG1-O 3.05Å; T39-N43 PolarHBondContact O-ND2 3.49Å
40	P	92.8	Very high	87.3	Confident	121 Å²	121	75.6 Å²	75.6	79%	0.786	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.6	177.1	-27.1	36.2	0	0	0	113.4	N43	P40-N43 PolarHBondContact O-ND2 3.39Å
41	D	88.6	Confident	89.7	Confident	132 Å²	132	77.5 Å²	77.5	71%	0.706	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.8	-177.7	-54.4	-46.6	0	0	0	114.1	T39	T39-D41 PolarHBondContact O-N 3.23Å
42	N	93.8	Very high	91.7	Very high	19 Å²	19	80.8 Å²	80.8	10%	0.102	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-148.2	95.3	-178.2	-167.5	4.2	0	0	0	109.8	H36 T39 W87 P89 I90	H36-N42 PolarHBondContact CE1-O 3.03Å; H36-N42 PolarHBondContact NE2-O 3.41Å; T39-N42 PolarHBondContact N-O 3.34Å; T39-N42 CarbonylContact O-C 3.58Å; T39-N42 VanDerWaalsContact O-C 3.32Å; T39-N42 PolarHBondContact O-N 2.89Å; T39-N42 WeakPolarHBondContact OG1-CB 3.23Å; T39-N42 PolarHBondContact OG1-N 3.28Å; T39-N42 PolarHBondContact OG1-O 3.05Å; N42-W87 HydrophobicContact CB-CH2 3.77Å; N42-W87 HydrophobicContact CB-CZ3 4.38Å; N42-W87 WeakPolarHBondContact ND2-CZ3 3.36Å; N42-P89 WeakPolarHBondContact OD1-CA 3.48Å; N42-I90 PolarHBondContact OD1-N 3.15Å
43	N	94.1	Very high	93.1	Very high	30 Å²	30	84.7 Å²	84.7	16%	0.16	46%	0.459	C	S	.	.	S	Bend	trans	-149.4	168.9	177.3	55.8	53	0	0	0	109.1	D38 T39 P40 D45 T46 I90	D38-N43 HydrophobicContact CB-CB 4.15Å; T39-N43 PolarHBondContact O-ND2 3.49Å; P40-N43 PolarHBondContact O-ND2 3.39Å; N43-D45 PolarHBondContact O-N 2.97Å; N43-D45 VanDerWaalsContact O-N 3.16Å; N43-D45 WeakPolarHBondContact OD1-CA 3.48Å; N43-D45 PolarHBondContact OD1-N 2.6Å; N43-D45 VanDerWaalsContact OD1-N 3.09Å; N43-T46 PolarHBondContact N-OG1 3.21Å; N43-T46 VanDerWaalsContact O-CB 3.29Å; N43-T46 WeakPolarHBondContact O-CB 2.91Å; N43-T46 PolarHBondContact O-N 3.42Å; N43-T46 VanDerWaalsContact O-N 3.12Å; N43-T46 PolarHBondContact O-OG1 3.48Å; N43-T46 PolarHBondContact OD1-N 3.43Å; N43-T46 PolarHBondContact OD1-OG1 2.8Å; N43-I90 VanDerWaalsContact O-CG2 3.32Å; N43-I90 WeakPolarHBondContact O-CG2 3.49Å
44	P	92.8	Very high	93.8	Very high	64 Å²	64	81.4 Å²	81.4	42%	0.416	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.6	179.9	-26.9	36.6	0	0	0	114.5	T46 I90	P44-T46 VanDerWaalsContact C-N 3.33Å; P44-I90 HydrophobicContact CG-CG2 4.33Å
45	D	92.7	Very high	94.1	Very high	147 Å²	147	79.2 Å²	79.2	79%	0.786	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-2.8	-178.9	-55.7	-46.1	0	0	0	113.4	N43	N43-D45 PolarHBondContact O-N 2.97Å; N43-D45 VanDerWaalsContact O-N 3.16Å; N43-D45 WeakPolarHBondContact OD1-CA 3.48Å; N43-D45 PolarHBondContact OD1-N 2.6Å; N43-D45 VanDerWaalsContact OD1-N 3.09Å
46	T	92.6	Very high	94.4	Very high	21 Å²	21	82.3 Å²	82.3	13%	0.129	44%	0.438	C	S	.	.	S	Bend	trans	-63.7	122	179.8	-59.7	0	0	0	0	109.2	N43 P44 F48 S91	N43-T46 PolarHBondContact N-OG1 3.21Å; N43-T46 VanDerWaalsContact O-CB 3.29Å; N43-T46 WeakPolarHBondContact O-CB 2.91Å; N43-T46 PolarHBondContact O-N 3.42Å; N43-T46 VanDerWaalsContact O-N 3.12Å; N43-T46 PolarHBondContact O-OG1 3.48Å; N43-T46 PolarHBondContact OD1-N 3.43Å; N43-T46 PolarHBondContact OD1-OG1 2.8Å; P44-T46 VanDerWaalsContact C-N 3.33Å; T46-F48 PolarHBondContact O-N 3.06Å; T46-S91 WeakPolarHBondContact O-CB 3.36Å; T46-S91 PolarHBondContact O-OG 2.92Å
47	P	91.9	Very high	94.5	Very high	124 Å²	124	84.3 Å²	84.3	81%	0.805	44%	0.442	S	S	*	.			trans	-67	112.5	-170.3	26.3	-34.4	0	0	0	110.8
48	F	94.9	Very high	94.7	Very high	17 Å²	17	76.6 Å²	76.6	8%	0.075	41%	0.414	C	S	.	.			trans	-138.7	122.8	173.5	179.4	-87.7	0	0	0	110.3	T46 F50 A81 H85 A92 K95	T46-F48 PolarHBondContact O-N 3.06Å; F48-F50 HydrophobicContact CE1-CD1 4.34Å; F48-F50 HydrophobicContact CE1-CD2 4.37Å; F48-F50 HydrophobicContact CE1-CE1 4.1Å; F48-F50 HydrophobicContact CE1-CE2 4.13Å; F48-F50 HydrophobicContact CE1-CG 4.49Å; F48-F50 AromaticContact CE1-CZ 4Å; F48-F50 HydrophobicContact CE1-CZ 4Å; F48-F50 HydrophobicContact CZ-CD1 4.21Å; F48-F50 AromaticContact CZ-CE1 3.97Å; F48-F50 HydrophobicContact CZ-CE1 3.97Å; F48-F50 HydrophobicContact CZ-CZ 4.28Å; F48-A81 HydrophobicContact CE1-CB 4.33Å; F48-A81 HydrophobicContact CZ-CB 3.7Å; F48-H85 HydrophobicContact CD2-CB 4.36Å; F48-H85 HydrophobicContact CE2-CB 3.98Å; F48-A92 HydrophobicContact CD1-CB 3.68Å; F48-A92 HydrophobicContact CD2-CB 3.82Å; F48-A92 HydrophobicContact CE1-CB 3.7Å; F48-A92 HydrophobicContact CE2-CB 3.86Å; F48-A92 HydrophobicContact CG-CB 3.72Å; F48-A92 HydrophobicContact CZ-CB 3.8Å; F48-K95 HydrophobicContact CD1-CB 3.92Å; F48-K95 HydrophobicContact CD1-CG 4.28Å; F48-K95 HydrophobicContact CE1-CB 4.17Å; F48-K95 HydrophobicContact CE1-CG 4.39Å
49	E	94.9	Very high	94.7	Very high	99 Å²	99	76.1 Å²	76.1	46%	0.463	41%	0.411	S	S	.	.			trans	-140.6	144	173.6	-83.3	-66.2	153	0	0	109.1	K55 Q84 K95	E49-K55 IonicContact OE2-NZ 2.69Å; E49-Q84 PolarHBondContact O-NE2 3.35Å; E49-K95 VanDerWaalsContact CD-CE 3.47Å; E49-K95 WeakPolarHBondContact OE1-CE 3.41Å; E49-K95 IonicContact OE1-NZ 3.84Å; E49-K95 PolarHBondContact OE1-NZ 3.45Å; E49-K95 WeakPolarHBondContact OE2-CE 3.34Å; E49-K95 IonicContact OE2-NZ 3.74Å
50	F	95.8	Very high	94.9	Very high	8 Å²	8	75.7 Å²	75.7	4%	0.035	41%	0.414	C	S	.	.			trans	-69	137.6	175.4	-70.4	-73.5	0	0	0	110.7	F48 N54 K55 I58 V77 L80 A81 K95 V96 V99	F48-F50 HydrophobicContact CE1-CD1 4.34Å; F48-F50 HydrophobicContact CE1-CD2 4.37Å; F48-F50 HydrophobicContact CE1-CE1 4.1Å; F48-F50 HydrophobicContact CE1-CE2 4.13Å; F48-F50 HydrophobicContact CE1-CG 4.49Å; F48-F50 AromaticContact CE1-CZ 4Å; F48-F50 HydrophobicContact CE1-CZ 4Å; F48-F50 HydrophobicContact CZ-CD1 4.21Å; F48-F50 AromaticContact CZ-CE1 3.97Å; F48-F50 HydrophobicContact CZ-CE1 3.97Å; F48-F50 HydrophobicContact CZ-CZ 4.28Å; F50-N54 HydrophobicContact CB-CB 4.37Å; F50-N54 HydrophobicContact CD1-CB 4.32Å; F50-K55 HydrophobicContact CB-CG 3.88Å; F50-K55 VanDerWaalsContact O-CE 3.28Å; F50-K55 WeakPolarHBondContact O-CE 3.36Å; F50-I58 HydrophobicContact CB-CD1 4.29Å; F50-I58 HydrophobicContact CD1-CD1 3.76Å; F50-I58 HydrophobicContact CD2-CD1 3.68Å; F50-I58 HydrophobicContact CE1-CD1 3.89Å; F50-I58 HydrophobicContact CE2-CD1 3.82Å; F50-I58 HydrophobicContact CG-CD1 3.64Å; F50-I58 HydrophobicContact CZ-CD1 3.91Å; F50-V77 HydrophobicContact CZ-CG1 4.04Å; F50-L80 HydrophobicContact CD1-CD2 3.78Å; F50-L80 HydrophobicContact CE1-CD2 3.68Å; F50-A81 HydrophobicContact CE1-CB 3.75Å; F50-A81 HydrophobicContact CZ-CB 3.91Å; F50-K95 HydrophobicContact CD2-CG 3.93Å; F50-K95 HydrophobicContact CE2-CB 4.41Å; F50-K95 HydrophobicContact CE2-CG 3.85Å; F50-V96 HydrophobicContact CE2-CG2 4.43Å; F50-V96 HydrophobicContact CZ-CG2 3.91Å; F50-V99 HydrophobicContact CD2-CG2 4.45Å; F50-V99 HydrophobicContact CE2-CG2 4.3Å
51	T	96.9	Very high	95.1	Very high	65 Å²	65	71 Å²	71	40%	0.399	38%	0.382	S	S	.	.			trans	-63.3	157.2	171.9	66.7	0	0	0	0	110.8	E53 N54 K55 Q84	T51-E53 PolarHBondContact O-N 3.22Å; T51-N54 PolarHBondContact O-N 2.84Å; T51-N54 WeakPolarHBondContact OG1-CB 3.21Å; T51-N54 PolarHBondContact OG1-N 2.81Å; T51-N54 PolarHBondContact OG1-ND2 2.94Å; T51-K55 WeakPolarHBondContact O-CG 3.5Å; T51-K55 PolarHBondContact O-N 2.84Å; T51-Q84 HydrophobicContact CG2-CG 4.43Å
52	A	96.5	Very high	95.4	Very high	78 Å²	78	66.3 Å²	66.3	65%	0.645	36%	0.357	S	S	*	.	H	α-helix	trans	-58.8	-33.5	-179.7	0	0	0	0	0	113	K56	A52-K56 PolarHBondContact O-N 3.13Å
53	E	96.7	Very high	95.5	Very high	115 Å²	115	70 Å²	70	54%	0.537	38%	0.384	S	S	.	.	H	α-helix	trans	-67.1	-45.3	173.4	-173.7	-175.8	176.2	0	0	111.5	T51 K55 K56 R57	T51-E53 PolarHBondContact O-N 3.22Å; E53-K55 VanDerWaalsContact C-N 3.31Å; E53-K55 PolarHBondContact O-N 3.44Å; E53-K56 WeakPolarHBondContact O-CB 3.43Å; E53-K56 PolarHBondContact O-N 3.47Å; E53-R57 PolarHBondContact O-N 3.33Å; E53-R57 VanDerWaalsContact O-N 3.1Å; E53-R57 IonicContact OE1-CZ 3Å; E53-R57 IonicContact OE1-NE 3.09Å; E53-R57 IonicContact OE1-NH2 2.77Å; E53-R57 PolarHBondContact OE1-NH2 3.04Å
54	N	96.7	Very high	95.7	Very high	11 Å²	11	74.7 Å²	74.7	6%	0.059	41%	0.407	C	S	.	.	H	α-helix	trans	-66.3	-32.1	179.1	-83.5	-12	0	0	0	112.7	F50 T51 K56 R57 I58 L80 Q84	F50-N54 HydrophobicContact CB-CB 4.37Å; F50-N54 HydrophobicContact CD1-CB 4.32Å; T51-N54 PolarHBondContact O-N 2.84Å; T51-N54 WeakPolarHBondContact OG1-CB 3.21Å; T51-N54 PolarHBondContact OG1-N 2.81Å; T51-N54 PolarHBondContact OG1-ND2 2.94Å; N54-K56 PolarHBondContact O-N 2.76Å; N54-R57 WeakPolarHBondContact O-CB 3.25Å; N54-R57 PolarHBondContact O-N 2.93Å; N54-R57 PolarHBondContact OD1-NH1 2.99Å; N54-I58 VanDerWaalsContact O-CG1 3.27Å; N54-I58 WeakPolarHBondContact O-CG1 3.16Å; N54-I58 PolarHBondContact O-N 3.48Å; N54-L80 HydrophobicContact CB-CD2 3.68Å; N54-Q84 PolarHBondContact ND2-OE1 3.24Å
55	K	96.1	Very high	95.8	Very high	101 Å²	101	75.2 Å²	75.2	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-59.2	-45.1	170.6	-70.8	179.9	178.5	-179.2	0	111.8	E49 F50 T51 E53 R57 I58 D59	E49-K55 IonicContact OE2-NZ 2.69Å; F50-K55 HydrophobicContact CB-CG 3.88Å; F50-K55 VanDerWaalsContact O-CE 3.28Å; F50-K55 WeakPolarHBondContact O-CE 3.36Å; T51-K55 WeakPolarHBondContact O-CG 3.5Å; T51-K55 PolarHBondContact O-N 2.84Å; E53-K55 VanDerWaalsContact C-N 3.31Å; E53-K55 PolarHBondContact O-N 3.44Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 2.89Å; K55-I58 WeakPolarHBondContact O-CB 3.39Å; K55-I58 PolarHBondContact O-N 2.98Å; K55-I58 VanDerWaalsContact O-N 3.14Å; K55-D59 PolarHBondContact O-N 3.3Å
56	K	97.3	Very high	95.9	Very high	155 Å²	155	72.5 Å²	72.5	67%	0.674	39%	0.392	S	S	*	.	H	α-helix	trans	-62.2	-37.9	174.7	-64.3	178.2	-179.4	-178.4	0	112.5	A52 E53 N54 I58 D59 A60	A52-K56 PolarHBondContact O-N 3.13Å; E53-K56 WeakPolarHBondContact O-CB 3.43Å; E53-K56 PolarHBondContact O-N 3.47Å; N54-K56 PolarHBondContact O-N 2.76Å; K56-I58 VanDerWaalsContact C-N 3.33Å; K56-D59 PolarHBondContact O-N 3.12Å; K56-A60 PolarHBondContact O-N 3.29Å
57	R	97.3	Very high	96	Very high	119 Å²	119	80.6 Å²	80.6	45%	0.449	43%	0.428	S	S	.	.	H	α-helix	trans	-66	-37.8	175.6	-68.2	177.6	-175.2	167.5	-7.5	111.5	E53 N54 K55 A60 I61 L80	E53-R57 PolarHBondContact O-N 3.33Å; E53-R57 VanDerWaalsContact O-N 3.1Å; E53-R57 IonicContact OE1-CZ 3Å; E53-R57 IonicContact OE1-NE 3.09Å; E53-R57 IonicContact OE1-NH2 2.77Å; E53-R57 PolarHBondContact OE1-NH2 3.04Å; N54-R57 WeakPolarHBondContact O-CB 3.25Å; N54-R57 PolarHBondContact O-N 2.93Å; N54-R57 PolarHBondContact OD1-NH1 2.99Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 2.89Å; R57-A60 PolarHBondContact O-N 2.71Å; R57-I61 VanDerWaalsContact O-CG1 3.26Å; R57-I61 WeakPolarHBondContact O-CG1 3.44Å; R57-I61 PolarHBondContact O-N 2.83Å; R57-L80 HydrophobicContact CB-CD1 3.67Å
58	I	96.6	Very high	96	Very high	5 Å²	5	78.3 Å²	78.3	3%	0.026	43%	0.427	C	S	.	.	H	α-helix	trans	-63	-44.6	173.9	-67	163.3	0	0	0	110.5	F50 N54 K55 K56 A60 I61 L62 V77 L80 V99	F50-I58 HydrophobicContact CB-CD1 4.29Å; F50-I58 HydrophobicContact CD1-CD1 3.76Å; F50-I58 HydrophobicContact CD2-CD1 3.68Å; F50-I58 HydrophobicContact CE1-CD1 3.89Å; F50-I58 HydrophobicContact CE2-CD1 3.82Å; F50-I58 HydrophobicContact CG-CD1 3.64Å; F50-I58 HydrophobicContact CZ-CD1 3.91Å; N54-I58 VanDerWaalsContact O-CG1 3.27Å; N54-I58 WeakPolarHBondContact O-CG1 3.16Å; N54-I58 PolarHBondContact O-N 3.48Å; K55-I58 WeakPolarHBondContact O-CB 3.39Å; K55-I58 PolarHBondContact O-N 2.98Å; K55-I58 VanDerWaalsContact O-N 3.14Å; K56-I58 VanDerWaalsContact C-N 3.33Å; I58-A60 VanDerWaalsContact C-N 3.29Å; I58-A60 PolarHBondContact O-N 3.21Å; I58-I61 WeakPolarHBondContact O-CB 3.3Å; I58-I61 PolarHBondContact O-N 2.87Å; I58-I61 VanDerWaalsContact O-N 3.08Å; I58-L62 HydrophobicContact CG2-CD1 3.97Å; I58-L62 HydrophobicContact CG2-CG 4.24Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.48Å; I58-V77 HydrophobicContact CD1-CG1 4.2Å; I58-V77 HydrophobicContact CG1-CG1 4.14Å; I58-V77 HydrophobicContact CG1-CG2 4.38Å; I58-V77 HydrophobicContact CG2-CG2 4.17Å; I58-L80 HydrophobicContact CG1-CD1 4.41Å; I58-L80 HydrophobicContact CG1-CD2 4.42Å; I58-V99 HydrophobicContact CG2-CG1 3.74Å
59	D	96.3	Very high	96	Very high	103 Å²	103	83.4 Å²	83.4	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-59.3	-42	176	-62.4	-32.1	0	0	0	111.4	K55 K56 L62 S63	K55-D59 PolarHBondContact O-N 3.3Å; K56-D59 PolarHBondContact O-N 3.12Å; D59-L62 PolarHBondContact O-N 3.3Å; D59-S63 PolarHBondContact O-N 3.17Å
60	A	97.3	Very high	95.9	Very high	56 Å²	56	83.8 Å²	83.8	46%	0.463	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-41.9	173.9	0	0	0	0	0	112	K56 R57 I58 S63	K56-A60 PolarHBondContact O-N 3.29Å; R57-A60 PolarHBondContact O-N 2.71Å; I58-A60 VanDerWaalsContact C-N 3.29Å; I58-A60 PolarHBondContact O-N 3.21Å; A60-S63 PolarHBondContact O-N 2.86Å; A60-S63 PolarHBondContact O-OG 2.7Å
61	I	97	Very high	95.8	Very high	22 Å²	22	88.5 Å²	88.5	11%	0.113	47%	0.473	C	S	.	.	H	α-helix	trans	-62.5	-45.2	175.8	-69.5	161.3	0	0	0	111.1	R57 I58 S63 M64 Y65 A73 P76 V77 L80	R57-I61 VanDerWaalsContact O-CG1 3.26Å; R57-I61 WeakPolarHBondContact O-CG1 3.44Å; R57-I61 PolarHBondContact O-N 2.83Å; I58-I61 WeakPolarHBondContact O-CB 3.3Å; I58-I61 PolarHBondContact O-N 2.87Å; I58-I61 VanDerWaalsContact O-N 3.08Å; I61-S63 VanDerWaalsContact C-N 3.25Å; I61-S63 PolarHBondContact O-N 3Å; I61-M64 HydrophobicContact CB-CE 4.12Å; I61-M64 HydrophobicContact CG1-CE 4.02Å; I61-M64 HydrophobicContact CG2-CE 4.17Å; I61-M64 WeakPolarHBondContact O-CB 3.44Å; I61-M64 PolarHBondContact O-N 2.91Å; I61-M64 VanDerWaalsContact O-N 3.16Å; I61-Y65 HydrophobicContact CG2-CE2 3.93Å; I61-Y65 WeakPolarHBondContact O-CD2 3.1Å; I61-Y65 WeakPolarHBondContact O-CE2 3.45Å; I61-A73 HydrophobicContact CG2-CB 3.93Å; I61-P76 HydrophobicContact CD1-CB 4.23Å; I61-P76 HydrophobicContact CG2-CB 3.99Å; I61-P76 HydrophobicContact CG2-CG 3.62Å; I61-V77 HydrophobicContact CG2-CG2 4.13Å; I61-L80 HydrophobicContact CD1-CD1 3.94Å
62	L	95.7	Very high	95.8	Very high	33 Å²	33	87.8 Å²	87.8	17%	0.173	47%	0.474	C	S	.	.	H	α-helix	trans	-62.1	-34.5	179	-72.6	174.1	0	0	0	112	I58 D59 M64 Y65 K70 A73 L100	I58-L62 HydrophobicContact CG2-CD1 3.97Å; I58-L62 HydrophobicContact CG2-CG 4.24Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.48Å; D59-L62 PolarHBondContact O-N 3.3Å; L62-M64 PolarHBondContact O-N 3.31Å; L62-Y65 PolarHBondContact O-N 2.85Å; L62-Y65 VanDerWaalsContact O-N 3.1Å; L62-K70 HydrophobicContact CD2-CB 4.24Å; L62-K70 HydrophobicContact CD2-CG 4.28Å; L62-A73 HydrophobicContact CD2-CB 3.85Å; L62-L100 HydrophobicContact CD2-CD2 3.65Å
63	S	96.4	Very high	95.8	Very high	96 Å²	96	84.1 Å²	84.1	67%	0.671	44%	0.443	S	S	*	.	H	α-helix	trans	-65.1	-17.9	178.1	77.6	0	0	0	0	114.3	D59 A60 I61 Y65	D59-S63 PolarHBondContact O-N 3.17Å; A60-S63 PolarHBondContact O-N 2.86Å; A60-S63 PolarHBondContact O-OG 2.7Å; I61-S63 VanDerWaalsContact C-N 3.25Å; I61-S63 PolarHBondContact O-N 3Å; S63-Y65 VanDerWaalsContact C-N 3.28Å
64	M	96.4	Very high	95.8	Very high	129 Å²	129	79 Å²	79	64%	0.635	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.5	175.4	-62.7	-170.4	-82	0	0	113	I61 L62	I61-M64 HydrophobicContact CB-CE 4.12Å; I61-M64 HydrophobicContact CG1-CE 4.02Å; I61-M64 HydrophobicContact CG2-CE 4.17Å; I61-M64 WeakPolarHBondContact O-CB 3.44Å; I61-M64 PolarHBondContact O-N 2.91Å; I61-M64 VanDerWaalsContact O-N 3.16Å; L62-M64 PolarHBondContact O-N 3.31Å
65	Y	95.7	Very high	95.8	Very high	76 Å²	76	82 Å²	82	30%	0.298	44%	0.435	S	S	.	.	S	Bend	trans	-110	145.5	-175.4	-58.3	-74.4	0	0	0	111.6	I61 L62 S63 A72 A73	I61-Y65 HydrophobicContact CG2-CE2 3.93Å; I61-Y65 WeakPolarHBondContact O-CD2 3.1Å; I61-Y65 WeakPolarHBondContact O-CE2 3.45Å; L62-Y65 PolarHBondContact O-N 2.85Å; L62-Y65 VanDerWaalsContact O-N 3.1Å; S63-Y65 VanDerWaalsContact C-N 3.28Å; Y65-A72 HydrophobicContact CD1-CB 3.38Å; Y65-A72 HydrophobicContact CE1-CB 3.6Å; Y65-A72 HydrophobicContact CG-CB 3.95Å; Y65-A72 PolarHBondContact OH-O 3.18Å; Y65-A73 HydrophobicContact CD2-CB 3.74Å; Y65-A73 HydrophobicContact CE2-CB 3.56Å
66	P	95.8	Very high	95.9	Very high	90 Å²	90	78.9 Å²	78.9	58%	0.584	43%	0.425	S	S	*	.			trans	-59.6	152.2	175.7	-22.9	33.2	0	0	0	112.8	H69	P66-H69 PolarHBondContact O-N 2.65Å; P66-H69 VanDerWaalsContact O-N 3.11Å
67	E	93.1	Very high	95.9	Very high	190 Å²	190	71.5 Å²	71.5	89%	0.888	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	144.6	170.7	-64.9	-170.5	170.2	0	0	111.1	H69	E67-H69 PolarHBondContact O-N 2.69Å; E67-H69 PolarHBondContact O-ND1 3.45Å
68	G	92.4	Very high	95.9	Very high	76 Å²	76	65.9 Å²	65.9	78%	0.784	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-10.9	-173.6	0	0	0	0	0	115.5
69	H	94.9	Very high	95.9	Very high	125 Å²	125	67.5 Å²	67.5	58%	0.579	38%	0.381	S	S	*	.			trans	-114.4	32.8	-177.2	-63.7	79.9	0	0	0	113.2	P66 E67 Q71 A72	P66-H69 PolarHBondContact O-N 2.65Å; P66-H69 VanDerWaalsContact O-N 3.11Å; E67-H69 PolarHBondContact O-N 2.69Å; E67-H69 PolarHBondContact O-ND1 3.45Å; H69-Q71 PolarHBondContact O-N 3.14Å; H69-Q71 VanDerWaalsContact O-N 3.11Å; H69-A72 VanDerWaalsContact O-CB 3.32Å; H69-A72 WeakPolarHBondContact O-CB 3.39Å; H69-A72 PolarHBondContact O-N 3.46Å
70	K	93.1	Very high	96	Very high	106 Å²	106	63.3 Å²	63.3	46%	0.461	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-58	-27.5	-178.3	-65	-174.2	-179.5	179.8	0	113.8	L62 A72 A73	L62-K70 HydrophobicContact CD2-CB 4.24Å; L62-K70 HydrophobicContact CD2-CG 4.28Å; K70-A72 PolarHBondContact O-N 3.18Å; K70-A72 VanDerWaalsContact O-N 3.09Å; K70-A73 WeakPolarHBondContact O-CB 3.38Å; K70-A73 PolarHBondContact O-N 2.89Å
71	Q	94.3	Very high	96	Very high	107 Å²	107	60.7 Å²	60.7	50%	0.5	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-55.3	-27.4	175.1	-174.1	179	-7	0	0	112.8	H69 A73 T74 V102	H69-Q71 PolarHBondContact O-N 3.14Å; H69-Q71 VanDerWaalsContact O-N 3.11Å; Q71-A73 PolarHBondContact O-N 2.91Å; Q71-A73 VanDerWaalsContact O-N 3.16Å; Q71-T74 WeakPolarHBondContact O-CB 3.29Å; Q71-T74 PolarHBondContact O-N 2.81Å; Q71-T74 PolarHBondContact O-OG1 3.22Å; Q71-V102 HydrophobicContact CB-CG1 3.92Å; Q71-V102 HydrophobicContact CG-CG1 4.09Å
72	A	95.5	Very high	96	Very high	51 Å²	51	60.7 Å²	60.7	42%	0.421	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-60.8	-23.5	176.9	0	0	0	0	0	113.2	Y65 H69 K70 T74	Y65-A72 HydrophobicContact CD1-CB 3.38Å; Y65-A72 HydrophobicContact CE1-CB 3.6Å; Y65-A72 HydrophobicContact CG-CB 3.95Å; Y65-A72 PolarHBondContact OH-O 3.18Å; H69-A72 VanDerWaalsContact O-CB 3.32Å; H69-A72 WeakPolarHBondContact O-CB 3.39Å; H69-A72 PolarHBondContact O-N 3.46Å; K70-A72 PolarHBondContact O-N 3.18Å; K70-A72 VanDerWaalsContact O-N 3.09Å; A72-T74 VanDerWaalsContact C-N 3.26Å; A72-T74 PolarHBondContact O-N 3.06Å
73	A	96.9	Very high	96	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-79.7	2.3	175.9	0	0	0	0	0	114.3	I61 L62 Y65 K70 Q71 I75 P76 V77 L100	I61-A73 HydrophobicContact CG2-CB 3.93Å; L62-A73 HydrophobicContact CD2-CB 3.85Å; Y65-A73 HydrophobicContact CD2-CB 3.74Å; Y65-A73 HydrophobicContact CE2-CB 3.56Å; K70-A73 WeakPolarHBondContact O-CB 3.38Å; K70-A73 PolarHBondContact O-N 2.89Å; Q71-A73 PolarHBondContact O-N 2.91Å; Q71-A73 VanDerWaalsContact O-N 3.16Å; A73-I75 PolarHBondContact O-N 3.14Å; A73-P76 VanDerWaalsContact O-CD 3.24Å; A73-P76 WeakPolarHBondContact O-CD 3.49Å; A73-P76 WeakPolarHBondContact O-CG 3.26Å; A73-V77 HydrophobicContact CB-CG2 4.15Å; A73-V77 WeakPolarHBondContact O-CB 3.4Å; A73-V77 VanDerWaalsContact O-CG2 3.24Å; A73-V77 WeakPolarHBondContact O-CG2 3.49Å; A73-V77 PolarHBondContact O-N 2.95Å; A73-L100 HydrophobicContact CB-CD2 3.92Å
74	T	96.8	Very high	96	Very high	8 Å²	8	64.3 Å²	64.3	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-57.4	-47.1	-175.3	-58.1	0	0	0	0	112.6	Q71 A72 L78 L100 V107 V110	Q71-T74 WeakPolarHBondContact O-CB 3.29Å; Q71-T74 PolarHBondContact O-N 2.81Å; Q71-T74 PolarHBondContact O-OG1 3.22Å; A72-T74 VanDerWaalsContact C-N 3.26Å; A72-T74 PolarHBondContact O-N 3.06Å; T74-L78 HydrophobicContact CG2-CD1 3.85Å; T74-L78 HydrophobicContact CG2-CG 4.41Å; T74-L78 VanDerWaalsContact O-CB 3.27Å; T74-L78 WeakPolarHBondContact O-CB 3.49Å; T74-L78 WeakPolarHBondContact O-CG 3.45Å; T74-L78 PolarHBondContact O-N 3Å; T74-L100 VanDerWaalsContact CA-CD1 3.49Å; T74-V107 HydrophobicContact CG2-CG2 4.31Å; T74-V110 HydrophobicContact CG2-CB 4.17Å; T74-V110 HydrophobicContact CG2-CG1 4.13Å; T74-V110 HydrophobicContact CG2-CG2 4.08Å
75	I	97.4	Very high	95.8	Very high	74 Å²	74	61.7 Å²	61.7	38%	0.379	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-55.6	-179	-63.9	174	0	0	0	111.9	A73 V77 L78 D79 V110 Y114 F117	A73-I75 PolarHBondContact O-N 3.14Å; I75-V77 VanDerWaalsContact C-N 3.34Å; I75-V77 PolarHBondContact O-N 2.87Å; I75-L78 PolarHBondContact O-N 2.83Å; I75-D79 PolarHBondContact O-N 2.89Å; I75-V110 HydrophobicContact CG1-CG1 3.93Å; I75-Y114 HydrophobicContact CD1-CE2 3.76Å; I75-Y114 HydrophobicContact CG1-CE2 4.2Å; I75-F117 HydrophobicContact CG2-CZ 4.12Å
76	P	97.5	Very high	95.6	Very high	36 Å²	36	60 Å²	60	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-33.7	-177.7	24.1	-34.8	0	0	0	113.3	I61 A73 D79 L80	I61-P76 HydrophobicContact CD1-CB 4.23Å; I61-P76 HydrophobicContact CG2-CB 3.99Å; I61-P76 HydrophobicContact CG2-CG 3.62Å; A73-P76 VanDerWaalsContact O-CD 3.24Å; A73-P76 WeakPolarHBondContact O-CD 3.49Å; A73-P76 WeakPolarHBondContact O-CG 3.26Å; P76-D79 PolarHBondContact O-N 3.49Å; P76-L80 VanDerWaalsContact O-CB 3.31Å; P76-L80 WeakPolarHBondContact O-CB 3.3Å; P76-L80 PolarHBondContact O-N 2.98Å
77	V	97.4	Very high	95.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-72.7	-36.2	177.5	179.6	0	0	0	0	111.4	F50 I58 I61 A73 I75 L80 A81 V96 L100	F50-V77 HydrophobicContact CZ-CG1 4.04Å; I58-V77 HydrophobicContact CD1-CG1 4.2Å; I58-V77 HydrophobicContact CG1-CG1 4.14Å; I58-V77 HydrophobicContact CG1-CG2 4.38Å; I58-V77 HydrophobicContact CG2-CG2 4.17Å; I61-V77 HydrophobicContact CG2-CG2 4.13Å; A73-V77 HydrophobicContact CB-CG2 4.15Å; A73-V77 WeakPolarHBondContact O-CB 3.4Å; A73-V77 VanDerWaalsContact O-CG2 3.24Å; A73-V77 WeakPolarHBondContact O-CG2 3.49Å; A73-V77 PolarHBondContact O-N 2.95Å; I75-V77 VanDerWaalsContact C-N 3.34Å; I75-V77 PolarHBondContact O-N 2.87Å; V77-L80 PolarHBondContact O-N 3.2Å; V77-A81 PolarHBondContact O-N 2.99Å; V77-V96 HydrophobicContact CB-CG1 4.23Å; V77-V96 HydrophobicContact CG1-CB 4.44Å; V77-V96 HydrophobicContact CG1-CG1 3.87Å; V77-V96 HydrophobicContact CG1-CG2 4.1Å; V77-L100 HydrophobicContact CG2-CD2 4.35Å
78	L	97.6	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-44.4	170.2	-83.4	173.1	0	0	0	112.1	T74 I75 L80 A81 Q82 L88 M93 V96 V107 V110 A111 F117	T74-L78 HydrophobicContact CG2-CD1 3.85Å; T74-L78 HydrophobicContact CG2-CG 4.41Å; T74-L78 VanDerWaalsContact O-CB 3.27Å; T74-L78 WeakPolarHBondContact O-CB 3.49Å; T74-L78 WeakPolarHBondContact O-CG 3.45Å; T74-L78 PolarHBondContact O-N 3Å; I75-L78 PolarHBondContact O-N 2.83Å; L78-L80 VanDerWaalsContact C-N 3.26Å; L78-L80 PolarHBondContact O-N 3.48Å; L78-A81 WeakPolarHBondContact O-CB 3.17Å; L78-A81 PolarHBondContact O-N 3.3Å; L78-Q82 PolarHBondContact O-N 3.43Å; L78-L88 HydrophobicContact CD2-CD1 4.16Å; L78-L88 HydrophobicContact CD2-CD2 4.28Å; L78-M93 HydrophobicContact CD2-CG 4.27Å; L78-V96 HydrophobicContact CD2-CB 4.28Å; L78-V96 HydrophobicContact CD2-CG1 4.36Å; L78-V96 HydrophobicContact CD2-CG2 3.88Å; L78-V96 HydrophobicContact CG-CG1 4.17Å; L78-V96 HydrophobicContact CG-CG2 4.38Å; L78-V107 HydrophobicContact CD1-CG1 3.87Å; L78-V107 HydrophobicContact CD2-CG1 3.67Å; L78-V107 HydrophobicContact CG-CG1 4.03Å; L78-V110 HydrophobicContact CD1-CB 4.23Å; L78-V110 HydrophobicContact CD1-CG1 3.77Å; L78-A111 HydrophobicContact CD1-CB 4.4Å; L78-F117 HydrophobicContact CB-CD1 4.31Å; L78-F117 HydrophobicContact CB-CE1 3.64Å; L78-F117 HydrophobicContact CB-CE2 4.43Å; L78-F117 HydrophobicContact CB-CZ 3.7Å; L78-F117 HydrophobicContact CD1-CE2 4.17Å; L78-F117 HydrophobicContact CD1-CZ 4.24Å
79	D	97.5	Very high	95.8	Very high	39 Å²	39	44.5 Å²	44.5	21%	0.209	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-40.6	176.9	-176.9	65.5	0	0	0	110.8	I75 P76 A81 Q82 R83 F117	I75-D79 PolarHBondContact O-N 2.89Å; P76-D79 PolarHBondContact O-N 3.49Å; D79-A81 PolarHBondContact O-N 3.13Å; D79-Q82 CarbonylContact O-C 3.59Å; D79-Q82 WeakPolarHBondContact O-CB 3.36Å; D79-Q82 PolarHBondContact O-N 3.3Å; D79-R83 WeakPolarHBondContact O-CG 3.41Å; D79-R83 PolarHBondContact O-N 3.17Å; D79-R83 IonicContact OD1-NE 3.33Å; D79-R83 WeakPolarHBondContact OD2-CD 3.47Å; D79-R83 IonicContact OD2-CZ 2.7Å; D79-R83 IonicContact OD2-NE 3.5Å; D79-R83 PolarHBondContact OD2-NE 2.9Å; D79-R83 IonicContact OD2-NH2 2.87Å; D79-F117 HydrophobicContact CB-CE1 4.19Å
80	L	97.4	Very high	95.9	Very high	16 Å²	16	39.4 Å²	39.4	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-40.8	175.4	-171.6	154.1	0	0	0	112.4	F50 N54 R57 I58 I61 P76 V77 L78 Q82 R83 Q84	F50-L80 HydrophobicContact CD1-CD2 3.78Å; F50-L80 HydrophobicContact CE1-CD2 3.68Å; N54-L80 HydrophobicContact CB-CD2 3.68Å; R57-L80 HydrophobicContact CB-CD1 3.67Å; I58-L80 HydrophobicContact CG1-CD1 4.41Å; I58-L80 HydrophobicContact CG1-CD2 4.42Å; I61-L80 HydrophobicContact CD1-CD1 3.94Å; P76-L80 VanDerWaalsContact O-CB 3.31Å; P76-L80 WeakPolarHBondContact O-CB 3.3Å; P76-L80 PolarHBondContact O-N 2.98Å; V77-L80 PolarHBondContact O-N 3.2Å; L78-L80 VanDerWaalsContact C-N 3.26Å; L78-L80 PolarHBondContact O-N 3.48Å; L80-Q82 VanDerWaalsContact C-N 3.33Å; L80-R83 PolarHBondContact O-N 3.27Å; L80-Q84 PolarHBondContact O-N 3.18Å
81	A	96.9	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-42.8	172.9	0	0	0	0	0	111.6	F48 F50 V77 L78 D79 Q84 H85 L88 A92 V96	F48-A81 HydrophobicContact CE1-CB 4.33Å; F48-A81 HydrophobicContact CZ-CB 3.7Å; F50-A81 HydrophobicContact CE1-CB 3.75Å; F50-A81 HydrophobicContact CZ-CB 3.91Å; V77-A81 PolarHBondContact O-N 2.99Å; L78-A81 WeakPolarHBondContact O-CB 3.17Å; L78-A81 PolarHBondContact O-N 3.3Å; D79-A81 PolarHBondContact O-N 3.13Å; A81-Q84 PolarHBondContact O-N 2.89Å; A81-H85 PolarHBondContact O-N 3.03Å; A81-H85 VanDerWaalsContact O-N 3.09Å; A81-L88 HydrophobicContact CB-CD2 3.79Å; A81-A92 HydrophobicContact CB-CB 4.45Å; A81-V96 HydrophobicContact CB-CG2 4.24Å
82	Q	96.8	Very high	96.2	Very high	23 Å²	23	29.7 Å²	29.7	11%	0.107	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-41.4	175.2	-177.3	164.5	-56.5	0	0	111.9	L78 D79 L80 Q84 H85 G86 L88 M116 F117	L78-Q82 PolarHBondContact O-N 3.43Å; D79-Q82 CarbonylContact O-C 3.59Å; D79-Q82 WeakPolarHBondContact O-CB 3.36Å; D79-Q82 PolarHBondContact O-N 3.3Å; L80-Q82 VanDerWaalsContact C-N 3.33Å; Q82-Q84 VanDerWaalsContact C-N 3.28Å; Q82-Q84 PolarHBondContact O-N 2.99Å; Q82-H85 PolarHBondContact O-N 3.12Å; Q82-G86 CarbonylContact O-C 3.58Å; Q82-G86 WeakPolarHBondContact O-CA 3.3Å; Q82-G86 PolarHBondContact O-N 3.03Å; Q82-L88 HydrophobicContact CB-CD1 4.39Å; Q82-L88 HydrophobicContact CB-CD2 3.99Å; Q82-L88 HydrophobicContact CB-CG 3.93Å; Q82-L88 HydrophobicContact CG-CG 4.48Å; Q82-M116 PolarHBondContact NE2-O 3.19Å; Q82-M116 PolarHBondContact OE1-O 3.49Å; Q82-F117 VanDerWaalsContact OE1-CA 3.28Å
83	R	96.3	Very high	96.2	Very high	141 Å²	141	27.9 Å²	27.9	53%	0.532	14%	0.142	S	C	.	.	H	α-helix	trans	-64.8	-32.5	176.6	-72.8	176.9	180	-80	-8.7	112.4	D79 L80 D185	D79-R83 WeakPolarHBondContact O-CG 3.41Å; D79-R83 PolarHBondContact O-N 3.17Å; D79-R83 IonicContact OD1-NE 3.33Å; D79-R83 WeakPolarHBondContact OD2-CD 3.47Å; D79-R83 IonicContact OD2-CZ 2.7Å; D79-R83 IonicContact OD2-NE 3.5Å; D79-R83 PolarHBondContact OD2-NE 2.9Å; D79-R83 IonicContact OD2-NH2 2.87Å; L80-R83 PolarHBondContact O-N 3.27Å; R83-D185 IonicContact CZ-OD1 2.67Å; R83-D185 IonicContact CZ-OD2 3.68Å; R83-D185 IonicContact NH1-OD1 3.96Å; R83-D185 PolarHBondContact NH1-OD1 2.8Å; R83-D185 IonicContact NH1-OD2 3.89Å; R83-D185 PolarHBondContact NH1-OD2 3.03Å; R83-D185 IonicContact NH2-OD1 3.63Å; R83-D185 PolarHBondContact NH2-OD1 3.08Å; R83-D185 IonicContact NH2-OD2 2.96Å
84	Q	95.7	Very high	96.2	Very high	64 Å²	64	30 Å²	30	30%	0.299	15%	0.154	S	C	.	.	H	α-helix	trans	-71.4	-41.3	176.3	-171.6	-177.5	-56.5	0	0	112.4	E49 T51 N54 L80 A81 Q82	E49-Q84 PolarHBondContact O-NE2 3.35Å; T51-Q84 HydrophobicContact CG2-CG 4.43Å; N54-Q84 PolarHBondContact ND2-OE1 3.24Å; L80-Q84 PolarHBondContact O-N 3.18Å; A81-Q84 PolarHBondContact O-N 2.89Å; Q82-Q84 VanDerWaalsContact C-N 3.28Å; Q82-Q84 PolarHBondContact O-N 2.99Å
85	H	93.1	Very high	96.2	Very high	73 Å²	73	31 Å²	31	34%	0.338	16%	0.157	S	C	.	.	H	α-helix	trans	-105.3	-14.3	-170.6	-172	-102.6	0	0	0	114.3	F48 A81 Q82 W87 P89	F48-H85 HydrophobicContact CD2-CB 4.36Å; F48-H85 HydrophobicContact CE2-CB 3.98Å; A81-H85 PolarHBondContact O-N 3.03Å; A81-H85 VanDerWaalsContact O-N 3.09Å; Q82-H85 PolarHBondContact O-N 3.12Å; H85-W87 VanDerWaalsContact C-N 3.26Å; H85-W87 AromaticContact CE1-CD1 3.78Å; H85-W87 AromaticContact CE1-CE2 3.47Å; H85-W87 VanDerWaalsContact CE1-CE2 3.47Å; H85-W87 AromaticContact CE1-CZ2 3.78Å; H85-W87 AromaticContact CE1-NE1 3.17Å; H85-W87 PolarHBondContact CE1-NE1 2.94Å; H85-W87 AromaticContact ND1-CD1 3.55Å; H85-W87 AromaticContact ND1-CE2 3.84Å; H85-W87 AromaticContact ND1-NE1 3.45Å; H85-W87 PolarHBondContact ND1-NE1 3.24Å; H85-W87 PolarHBondContact ND1-O 2.88Å; H85-W87 PolarHBondContact O-N 2.9Å; H85-P89 WeakPolarHBondContact ND1-CD 3.44Å
86	G	92.3	Very high	96.2	Very high	41 Å²	41	27.4 Å²	27.4	42%	0.423	14%	0.139	S	C	.	.	S	Bend	trans	86.8	-24.7	-173.8	0	0	0	0	0	114.3	Q82	Q82-G86 CarbonylContact O-C 3.58Å; Q82-G86 WeakPolarHBondContact O-CA 3.3Å; Q82-G86 PolarHBondContact O-N 3.03Å
87	W	94.2	Very high	96.2	Very high	30 Å²	30	25.8 Å²	25.8	11%	0.114	13%	0.129	C	C	.	.	S	Bend	trans	-157.5	169.4	177.8	70	-76.3	0	0	0	109.3	N42 H85 P89 L118 R119 K120 P121	N42-W87 HydrophobicContact CB-CH2 3.77Å; N42-W87 HydrophobicContact CB-CZ3 4.38Å; N42-W87 WeakPolarHBondContact ND2-CZ3 3.36Å; H85-W87 VanDerWaalsContact C-N 3.26Å; H85-W87 AromaticContact CE1-CD1 3.78Å; H85-W87 AromaticContact CE1-CE2 3.47Å; H85-W87 VanDerWaalsContact CE1-CE2 3.47Å; H85-W87 AromaticContact CE1-CZ2 3.78Å; H85-W87 AromaticContact CE1-NE1 3.17Å; H85-W87 PolarHBondContact CE1-NE1 2.94Å; H85-W87 AromaticContact ND1-CD1 3.55Å; H85-W87 AromaticContact ND1-CE2 3.84Å; H85-W87 AromaticContact ND1-NE1 3.45Å; H85-W87 PolarHBondContact ND1-NE1 3.24Å; H85-W87 PolarHBondContact ND1-O 2.88Å; H85-W87 PolarHBondContact O-N 2.9Å; W87-P89 HydrophobicContact CH2-CB 3.7Å; W87-P89 HydrophobicContact CZ2-CB 4.22Å; W87-P89 HydrophobicContact CZ3-CB 4Å; W87-P89 WeakPolarHBondContact O-CD 3.38Å; W87-L118 CarbonylContact C-O 3.58Å; W87-L118 HydrophobicContact CB-CB 4.15Å; W87-L118 WeakPolarHBondContact CB-O 3.44Å; W87-R119 WeakPolarHBondContact CZ3-O 3.48Å; W87-K120 WeakPolarHBondContact CB-O 3.44Å; W87-P121 HydrophobicContact CD2-CB 4.38Å; W87-P121 HydrophobicContact CG-CB 4.46Å
88	L	95.4	Very high	96.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.			trans	-103.8	99.1	-174	-68.9	171.8	0	0	0	112.5	L78 A81 Q82 A92 M93 F117 L118	L78-L88 HydrophobicContact CD2-CD1 4.16Å; L78-L88 HydrophobicContact CD2-CD2 4.28Å; A81-L88 HydrophobicContact CB-CD2 3.79Å; Q82-L88 HydrophobicContact CB-CD1 4.39Å; Q82-L88 HydrophobicContact CB-CD2 3.99Å; Q82-L88 HydrophobicContact CB-CG 3.93Å; Q82-L88 HydrophobicContact CG-CG 4.48Å; L88-A92 HydrophobicContact CD2-CB 4.27Å; L88-M93 HydrophobicContact CB-CE 3.71Å; L88-F117 HydrophobicContact CD1-CB 3.78Å; L88-F117 HydrophobicContact CD1-CD1 3.53Å; L88-F117 HydrophobicContact CD1-CE1 4.42Å; L88-F117 HydrophobicContact CD1-CG 3.85Å; L88-L118 PolarHBondContact N-O 2.67Å
89	P	95.5	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.			trans	-69.8	161.3	164.4	29.9	-34.4	0	0	0	110.5	N42 H85 W87 S91 A92 M93	N42-P89 WeakPolarHBondContact OD1-CA 3.48Å; H85-P89 WeakPolarHBondContact ND1-CD 3.44Å; W87-P89 HydrophobicContact CH2-CB 3.7Å; W87-P89 HydrophobicContact CZ2-CB 4.22Å; W87-P89 HydrophobicContact CZ3-CB 4Å; W87-P89 WeakPolarHBondContact O-CD 3.38Å; P89-S91 PolarHBondContact O-N 2.74Å; P89-A92 HydrophobicContact CG-CB 3.79Å; P89-A92 WeakPolarHBondContact O-CB 3.41Å; P89-A92 PolarHBondContact O-N 3.36Å; P89-A92 VanDerWaalsContact O-N 3.09Å; P89-M93 PolarHBondContact O-N 3.35Å
90	I	96.3	Very high	95.9	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-32	178.7	-168	165.7	0	0	0	112	H36 N42 N43 P44 A92 M93 N94 Y108	H36-I90 HydrophobicContact CB-CD1 4.31Å; H36-I90 VanDerWaalsContact CD2-CD1 3.4Å; H36-I90 WeakPolarHBondContact CD2-CD1 3.38Å; N42-I90 PolarHBondContact OD1-N 3.15Å; N43-I90 VanDerWaalsContact O-CG2 3.32Å; N43-I90 WeakPolarHBondContact O-CG2 3.49Å; P44-I90 HydrophobicContact CG-CG2 4.33Å; I90-A92 PolarHBondContact O-N 3.21Å; I90-M93 PolarHBondContact O-N 3.39Å; I90-N94 PolarHBondContact O-N 2.73Å; I90-N94 PolarHBondContact O-ND2 3.38Å; I90-Y108 HydrophobicContact CG1-CE1 3.98Å; I90-Y108 WeakPolarHBondContact CG1-OH 3.35Å
91	S	96.3	Very high	95.8	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-36.7	174.6	60.2	0	0	0	0	113.1	T46 P89 N94 K95	T46-S91 WeakPolarHBondContact O-CB 3.36Å; T46-S91 PolarHBondContact O-OG 2.92Å; P89-S91 PolarHBondContact O-N 2.74Å; S91-N94 PolarHBondContact O-N 2.85Å; S91-K95 WeakPolarHBondContact O-CB 3.06Å; S91-K95 PolarHBondContact O-N 3.23Å
92	A	96.8	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-40.5	174.8	0	0	0	0	0	112	F48 A81 L88 P89 I90 K95 V96	F48-A92 HydrophobicContact CD1-CB 3.68Å; F48-A92 HydrophobicContact CD2-CB 3.82Å; F48-A92 HydrophobicContact CE1-CB 3.7Å; F48-A92 HydrophobicContact CE2-CB 3.86Å; F48-A92 HydrophobicContact CG-CB 3.72Å; F48-A92 HydrophobicContact CZ-CB 3.8Å; A81-A92 HydrophobicContact CB-CB 4.45Å; L88-A92 HydrophobicContact CD2-CB 4.27Å; P89-A92 HydrophobicContact CG-CB 3.79Å; P89-A92 WeakPolarHBondContact O-CB 3.41Å; P89-A92 PolarHBondContact O-N 3.36Å; P89-A92 VanDerWaalsContact O-N 3.09Å; I90-A92 PolarHBondContact O-N 3.21Å; A92-K95 PolarHBondContact O-N 2.81Å; A92-V96 WeakPolarHBondContact O-CG2 3.46Å; A92-V96 PolarHBondContact O-N 3.23Å
93	M	97	Very high	95.8	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.059	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-42.5	174.9	-60.7	179.3	-163.3	0	0	111.6	L78 L88 P89 I90 K95 V96 A97 V107 Y108 A111 R119	L78-M93 HydrophobicContact CD2-CG 4.27Å; L88-M93 HydrophobicContact CB-CE 3.71Å; P89-M93 PolarHBondContact O-N 3.35Å; I90-M93 PolarHBondContact O-N 3.39Å; M93-K95 VanDerWaalsContact C-N 3.3Å; M93-K95 PolarHBondContact O-N 3.17Å; M93-V96 PolarHBondContact O-N 2.74Å; M93-A97 PolarHBondContact O-N 3.39Å; M93-V107 HydrophobicContact CB-CG1 3.99Å; M93-V107 HydrophobicContact CG-CG1 4.5Å; M93-Y108 HydrophobicContact CB-CD1 3.9Å; M93-Y108 HydrophobicContact CB-CE1 3.68Å; M93-Y108 HydrophobicContact CG-CD1 4.43Å; M93-Y108 HydrophobicContact SD-CD1 3.66Å; M93-Y108 HydrophobicContact SD-CE1 4.08Å; M93-A111 HydrophobicContact CE-CB 3.73Å; M93-A111 HydrophobicContact CG-CB 4.46Å; M93-A111 HydrophobicContact SD-CB 3.77Å; M93-R119 HydrophobicContact CE-CG 3.71Å
94	N	97.1	Very high	95.8	Very high	45 Å²	45	37.6 Å²	37.6	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-40.5	173.7	-75.2	-33.2	0	0	0	111.9	I90 S91 V96 A97 E98 Y108	I90-N94 PolarHBondContact O-N 2.73Å; I90-N94 PolarHBondContact O-ND2 3.38Å; S91-N94 PolarHBondContact O-N 2.85Å; N94-V96 PolarHBondContact O-N 3.34Å; N94-A97 WeakPolarHBondContact O-CB 3.37Å; N94-A97 PolarHBondContact O-N 3.12Å; N94-E98 PolarHBondContact O-N 3.42Å; N94-Y108 PolarHBondContact OD1-OH 2.89Å
95	K	96.9	Very high	95.9	Very high	28 Å²	28	39.7 Å²	39.7	12%	0.122	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-38.8	178.2	-167.2	65.1	-173.8	-177.1	0	112.4	F48 E49 F50 S91 A92 M93 A97 E98 V99	F48-K95 HydrophobicContact CD1-CB 3.92Å; F48-K95 HydrophobicContact CD1-CG 4.28Å; F48-K95 HydrophobicContact CE1-CB 4.17Å; F48-K95 HydrophobicContact CE1-CG 4.39Å; E49-K95 VanDerWaalsContact CD-CE 3.47Å; E49-K95 WeakPolarHBondContact OE1-CE 3.41Å; E49-K95 IonicContact OE1-NZ 3.84Å; E49-K95 PolarHBondContact OE1-NZ 3.45Å; E49-K95 WeakPolarHBondContact OE2-CE 3.34Å; E49-K95 IonicContact OE2-NZ 3.74Å; F50-K95 HydrophobicContact CD2-CG 3.93Å; F50-K95 HydrophobicContact CE2-CB 4.41Å; F50-K95 HydrophobicContact CE2-CG 3.85Å; S91-K95 WeakPolarHBondContact O-CB 3.06Å; S91-K95 PolarHBondContact O-N 3.23Å; A92-K95 PolarHBondContact O-N 2.81Å; M93-K95 VanDerWaalsContact C-N 3.3Å; M93-K95 PolarHBondContact O-N 3.17Å; K95-A97 VanDerWaalsContact C-N 3.31Å; K95-E98 WeakPolarHBondContact CD-OE2 3.34Å; K95-E98 WeakPolarHBondContact CE-OE2 3.46Å; K95-E98 VanDerWaalsContact NZ-CD 3.34Å; K95-E98 IonicContact NZ-OE1 2.86Å; K95-E98 PolarHBondContact NZ-OE1 3.25Å; K95-E98 IonicContact NZ-OE2 3.5Å; K95-E98 PolarHBondContact NZ-OE2 2.73Å; K95-E98 PolarHBondContact O-N 3.09Å; K95-V99 VanDerWaalsContact O-CG2 3.27Å; K95-V99 WeakPolarHBondContact O-CG2 3.37Å; K95-V99 PolarHBondContact O-N 2.68Å
96	V	97.1	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-41.7	173.8	176.5	0	0	0	0	110.5	F50 V77 L78 A81 A92 M93 N94 E98 V99 L100 V107	F50-V96 HydrophobicContact CE2-CG2 4.43Å; F50-V96 HydrophobicContact CZ-CG2 3.91Å; V77-V96 HydrophobicContact CB-CG1 4.23Å; V77-V96 HydrophobicContact CG1-CB 4.44Å; V77-V96 HydrophobicContact CG1-CG1 3.87Å; V77-V96 HydrophobicContact CG1-CG2 4.1Å; L78-V96 HydrophobicContact CD2-CB 4.28Å; L78-V96 HydrophobicContact CD2-CG1 4.36Å; L78-V96 HydrophobicContact CD2-CG2 3.88Å; L78-V96 HydrophobicContact CG-CG1 4.17Å; L78-V96 HydrophobicContact CG-CG2 4.38Å; A81-V96 HydrophobicContact CB-CG2 4.24Å; A92-V96 WeakPolarHBondContact O-CG2 3.46Å; A92-V96 PolarHBondContact O-N 3.23Å; M93-V96 PolarHBondContact O-N 2.74Å; N94-V96 PolarHBondContact O-N 3.34Å; V96-E98 PolarHBondContact O-N 3.37Å; V96-V99 PolarHBondContact O-N 3.03Å; V96-L100 HydrophobicContact CG1-CD1 3.76Å; V96-L100 HydrophobicContact CG1-CG 4.29Å; V96-L100 WeakPolarHBondContact O-CB 3.45Å; V96-L100 WeakPolarHBondContact O-CG 3.41Å; V96-L100 PolarHBondContact O-N 2.88Å; V96-V107 HydrophobicContact CB-CG1 4.32Å; V96-V107 HydrophobicContact CG1-CG1 4.32Å
97	A	97.3	Very high	96.3	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-43.1	177.1	0	0	0	0	0	112.3	M93 N94 K95 D101 V102 P104 V107	M93-A97 PolarHBondContact O-N 3.39Å; N94-A97 WeakPolarHBondContact O-CB 3.37Å; N94-A97 PolarHBondContact O-N 3.12Å; K95-A97 VanDerWaalsContact C-N 3.31Å; A97-D101 PolarHBondContact O-N 2.77Å; A97-V102 HydrophobicContact CB-CG2 4.4Å; A97-V102 WeakPolarHBondContact CB-O 3.34Å; A97-V102 PolarHBondContact O-N 3.46Å; A97-P104 HydrophobicContact CB-CB 4.14Å; A97-P104 HydrophobicContact CB-CG 3.98Å; A97-V107 HydrophobicContact CB-CG2 3.79Å
98	E	95.9	Very high	96.4	Very high	128 Å²	128	40.7 Å²	40.7	60%	0.598	21%	0.212	S	C	*	.	H	α-helix	trans	-60.8	-47.5	174.8	-173.5	-165.3	151.7	0	0	111.7	N94 K95 V96 L100 D101	N94-E98 PolarHBondContact O-N 3.42Å; K95-E98 WeakPolarHBondContact CD-OE2 3.34Å; K95-E98 WeakPolarHBondContact CE-OE2 3.46Å; K95-E98 VanDerWaalsContact NZ-CD 3.34Å; K95-E98 IonicContact NZ-OE1 2.86Å; K95-E98 PolarHBondContact NZ-OE1 3.25Å; K95-E98 IonicContact NZ-OE2 3.5Å; K95-E98 PolarHBondContact NZ-OE2 2.73Å; K95-E98 PolarHBondContact O-N 3.09Å; V96-E98 PolarHBondContact O-N 3.37Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.87Å; E98-D101 PolarHBondContact O-N 3.28Å
99	V	94.5	Very high	96.5	Very high	49 Å²	49	44 Å²	44	30%	0.297	23%	0.228	S	C	.	.	H	α-helix	trans	-66.2	-35.3	-177.4	170.5	0	0	0	0	112.4	F50 I58 K95 V96	F50-V99 HydrophobicContact CD2-CG2 4.45Å; F50-V99 HydrophobicContact CE2-CG2 4.3Å; I58-V99 HydrophobicContact CG2-CG1 3.74Å; K95-V99 VanDerWaalsContact O-CG2 3.27Å; K95-V99 WeakPolarHBondContact O-CG2 3.37Å; K95-V99 PolarHBondContact O-N 2.68Å; V96-V99 PolarHBondContact O-N 3.03Å
100	L	94.9	Very high	96.6	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-90.1	-5.4	-178.9	-62	-177.6	0	0	0	113.8	L62 A73 T74 V77 V96 E98 V102	L62-L100 HydrophobicContact CD2-CD2 3.65Å; A73-L100 HydrophobicContact CB-CD2 3.92Å; T74-L100 VanDerWaalsContact CA-CD1 3.49Å; V77-L100 HydrophobicContact CG2-CD2 4.35Å; V96-L100 HydrophobicContact CG1-CD1 3.76Å; V96-L100 HydrophobicContact CG1-CG 4.29Å; V96-L100 WeakPolarHBondContact O-CB 3.45Å; V96-L100 WeakPolarHBondContact O-CG 3.41Å; V96-L100 PolarHBondContact O-N 2.88Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.87Å; L100-V102 HydrophobicContact CB-CG1 4.35Å; L100-V102 HydrophobicContact CB-CG2 4.08Å
101	D	95.7	Very high	96.5	Very high	146 Å²	146	44.6 Å²	44.6	78%	0.781	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	49.8	-174.4	-165.9	29.4	0	0	0	112.5	A97 E98	A97-D101 PolarHBondContact O-N 2.77Å; E98-D101 PolarHBondContact O-N 3.28Å
102	V	95.8	Very high	96.4	Very high	28 Å²	28	46.3 Å²	46.3	17%	0.17	24%	0.243	C	C	.	.			trans	-126.5	155.4	178.4	-61.4	0	0	0	0	111.2	Q71 A97 L100 V107	Q71-V102 HydrophobicContact CB-CG1 3.92Å; Q71-V102 HydrophobicContact CG-CG1 4.09Å; A97-V102 HydrophobicContact CB-CG2 4.4Å; A97-V102 WeakPolarHBondContact CB-O 3.34Å; A97-V102 PolarHBondContact O-N 3.46Å; L100-V102 HydrophobicContact CB-CG1 4.35Å; L100-V102 HydrophobicContact CB-CG2 4.08Å; V102-V107 HydrophobicContact CG2-CG2 3.81Å
103	A	97.4	Very high	96.4	Very high	59 Å²	59	53.7 Å²	53.7	49%	0.488	28%	0.275	S	S	.	.			trans	-61.7	132.9	174.8	0	0	0	0	0	110.8	M105 R106	A103-M105 PolarHBondContact O-N 3.3Å; A103-R106 WeakPolarHBondContact O-CB 3.5Å; A103-R106 PolarHBondContact O-N 3.3Å
104	P	97.1	Very high	96.3	Very high	54 Å²	54	58.1 Å²	58.1	35%	0.351	29%	0.292	S	S	.	.	H	α-helix	trans	-53.6	-32.2	-178.3	-29	34.5	0	0	0	114.2	A97 R106 V107 Y108	A97-P104 HydrophobicContact CB-CB 4.14Å; A97-P104 HydrophobicContact CB-CG 3.98Å; P104-R106 VanDerWaalsContact C-N 3.26Å; P104-R106 PolarHBondContact O-N 3.4Å; P104-V107 WeakPolarHBondContact O-CA 3.38Å; P104-V107 WeakPolarHBondContact O-CB 3.27Å; P104-V107 PolarHBondContact O-N 3.27Å; P104-Y108 HydrophobicContact CB-CE1 4.41Å; P104-Y108 HydrophobicContact CB-CE2 4.11Å; P104-Y108 WeakPolarHBondContact O-CD1 3.39Å; P104-Y108 VanDerWaalsContact O-CG 3.31Å; P104-Y108 PolarHBondContact O-N 3.26Å
105	M	97.4	Very high	96.1	Very high	107 Å²	107	62.3 Å²	62.3	53%	0.527	32%	0.319	S	S	.	.	H	α-helix	trans	-57.9	-36.5	177.4	-169.8	63	-165.5	0	0	113	A103 V107 Y108 E109	A103-M105 PolarHBondContact O-N 3.3Å; M105-V107 VanDerWaalsContact C-N 3.27Å; M105-V107 PolarHBondContact O-N 3.33Å; M105-Y108 PolarHBondContact O-N 2.84Å; M105-Y108 HydrophobicContact SD-CD2 4.07Å; M105-E109 HydrophobicContact CE-CG 4.29Å; M105-E109 WeakPolarHBondContact O-CG 3.32Å; M105-E109 PolarHBondContact O-N 3.01Å
106	R	96.6	Very high	96	Very high	108 Å²	108	66.5 Å²	66.5	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-34.7	177	-62.7	-58.8	107.8	-168.9	-2.1	111.4	A103 P104 E109 V110	A103-R106 WeakPolarHBondContact O-CB 3.5Å; A103-R106 PolarHBondContact O-N 3.3Å; P104-R106 VanDerWaalsContact C-N 3.26Å; P104-R106 PolarHBondContact O-N 3.4Å; R106-E109 IonicContact CZ-OE1 3.64Å; R106-E109 IonicContact CZ-OE2 2.65Å; R106-E109 IonicContact NE-OE1 2.77Å; R106-E109 IonicContact NE-OE2 3.5Å; R106-E109 PolarHBondContact NE-OE2 3.39Å; R106-E109 IonicContact NH1-OE1 3.95Å; R106-E109 PolarHBondContact NH1-OE1 3.32Å; R106-E109 IonicContact NH1-OE2 2.81Å; R106-E109 PolarHBondContact NH1-OE2 2.91Å; R106-E109 IonicContact NH2-OE1 2.77Å; R106-E109 PolarHBondContact NH2-OE1 2.82Å; R106-E109 IonicContact NH2-OE2 3.87Å; R106-V110 WeakPolarHBondContact O-CG2 3.32Å; R106-V110 PolarHBondContact O-N 2.84Å
107	V	97.5	Very high	95.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-71.3	-39.8	176.1	-175.8	0	0	0	0	110.6	T74 L78 M93 V96 A97 V102 P104 M105 E109 V110 A111	T74-V107 HydrophobicContact CG2-CG2 4.31Å; L78-V107 HydrophobicContact CD1-CG1 3.87Å; L78-V107 HydrophobicContact CD2-CG1 3.67Å; L78-V107 HydrophobicContact CG-CG1 4.03Å; M93-V107 HydrophobicContact CB-CG1 3.99Å; M93-V107 HydrophobicContact CG-CG1 4.5Å; V96-V107 HydrophobicContact CB-CG1 4.32Å; V96-V107 HydrophobicContact CG1-CG1 4.32Å; A97-V107 HydrophobicContact CB-CG2 3.79Å; V102-V107 HydrophobicContact CG2-CG2 3.81Å; P104-V107 WeakPolarHBondContact O-CA 3.38Å; P104-V107 WeakPolarHBondContact O-CB 3.27Å; P104-V107 PolarHBondContact O-N 3.27Å; M105-V107 VanDerWaalsContact C-N 3.27Å; M105-V107 PolarHBondContact O-N 3.33Å; V107-E109 PolarHBondContact O-N 3.4Å; V107-V110 PolarHBondContact O-N 2.95Å; V107-A111 WeakPolarHBondContact O-CB 3.17Å; V107-A111 PolarHBondContact O-N 2.86Å
108	Y	96.8	Very high	95.8	Very high	58 Å²	58	67.5 Å²	67.5	23%	0.227	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-40.2	175.5	-57.5	-23.3	0	0	0	112.7	I90 M93 N94 P104 M105 A111 T112	I90-Y108 HydrophobicContact CG1-CE1 3.98Å; I90-Y108 WeakPolarHBondContact CG1-OH 3.35Å; M93-Y108 HydrophobicContact CB-CD1 3.9Å; M93-Y108 HydrophobicContact CB-CE1 3.68Å; M93-Y108 HydrophobicContact CG-CD1 4.43Å; M93-Y108 HydrophobicContact SD-CD1 3.66Å; M93-Y108 HydrophobicContact SD-CE1 4.08Å; N94-Y108 PolarHBondContact OD1-OH 2.89Å; P104-Y108 HydrophobicContact CB-CE1 4.41Å; P104-Y108 HydrophobicContact CB-CE2 4.11Å; P104-Y108 WeakPolarHBondContact O-CD1 3.39Å; P104-Y108 VanDerWaalsContact O-CG 3.31Å; P104-Y108 PolarHBondContact O-N 3.26Å; M105-Y108 PolarHBondContact O-N 2.84Å; M105-Y108 HydrophobicContact SD-CD2 4.07Å; Y108-A111 PolarHBondContact O-N 3.46Å; Y108-T112 WeakPolarHBondContact O-CB 3.45Å; Y108-T112 VanDerWaalsContact O-CG2 3.31Å; Y108-T112 WeakPolarHBondContact O-CG2 3.37Å; Y108-T112 PolarHBondContact O-N 3.19Å; Y108-T112 PolarHBondContact O-OG1 2.65Å
109	E	96.6	Very high	95.6	Very high	69 Å²	69	63.3 Å²	63.3	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-58.1	-48.6	173.8	-73.9	171.2	172.7	0	0	110.9	M105 R106 V107 T112 F113	M105-E109 HydrophobicContact CE-CG 4.29Å; M105-E109 WeakPolarHBondContact O-CG 3.32Å; M105-E109 PolarHBondContact O-N 3.01Å; R106-E109 IonicContact CZ-OE1 3.64Å; R106-E109 IonicContact CZ-OE2 2.65Å; R106-E109 IonicContact NE-OE1 2.77Å; R106-E109 IonicContact NE-OE2 3.5Å; R106-E109 PolarHBondContact NE-OE2 3.39Å; R106-E109 IonicContact NH1-OE1 3.95Å; R106-E109 PolarHBondContact NH1-OE1 3.32Å; R106-E109 IonicContact NH1-OE2 2.81Å; R106-E109 PolarHBondContact NH1-OE2 2.91Å; R106-E109 IonicContact NH2-OE1 2.77Å; R106-E109 PolarHBondContact NH2-OE1 2.82Å; R106-E109 IonicContact NH2-OE2 3.87Å; V107-E109 PolarHBondContact O-N 3.4Å; E109-T112 PolarHBondContact O-N 3.49Å; E109-T112 PolarHBondContact O-OG1 3.49Å; E109-T112 VanDerWaalsContact O-OG1 3.07Å; E109-F113 WeakPolarHBondContact O-CB 3.43Å; E109-F113 PolarHBondContact O-N 3.02Å
110	V	96.9	Very high	95.4	Very high	30 Å²	30	65.4 Å²	65.4	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-62.5	-47.7	177.7	173.8	0	0	0	0	111.1	T74 I75 L78 R106 V107 T112 F113 Y114 F117	T74-V110 HydrophobicContact CG2-CB 4.17Å; T74-V110 HydrophobicContact CG2-CG1 4.13Å; T74-V110 HydrophobicContact CG2-CG2 4.08Å; I75-V110 HydrophobicContact CG1-CG1 3.93Å; L78-V110 HydrophobicContact CD1-CB 4.23Å; L78-V110 HydrophobicContact CD1-CG1 3.77Å; R106-V110 WeakPolarHBondContact O-CG2 3.32Å; R106-V110 PolarHBondContact O-N 2.84Å; V107-V110 PolarHBondContact O-N 2.95Å; V110-T112 PolarHBondContact O-N 2.88Å; V110-F113 PolarHBondContact O-N 3.36Å; V110-Y114 HydrophobicContact CG1-CD2 3.77Å; V110-Y114 HydrophobicContact CG1-CE2 3.92Å; V110-Y114 WeakPolarHBondContact O-CD2 3.15Å; V110-Y114 PolarHBondContact O-N 3.44Å; V110-Y114 VanDerWaalsContact O-N 3.15Å; V110-F117 HydrophobicContact CG1-CD2 4.49Å; V110-F117 HydrophobicContact CG1-CE2 3.86Å
111	A	95.7	Very high	95.3	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-22.2	-178.7	0	0	0	0	0	114.1	L78 M93 V107 Y108 R119	L78-A111 HydrophobicContact CD1-CB 4.4Å; M93-A111 HydrophobicContact CE-CB 3.73Å; M93-A111 HydrophobicContact CG-CB 4.46Å; M93-A111 HydrophobicContact SD-CB 3.77Å; V107-A111 WeakPolarHBondContact O-CB 3.17Å; V107-A111 PolarHBondContact O-N 2.86Å; Y108-A111 PolarHBondContact O-N 3.46Å; A111-R119 WeakPolarHBondContact O-CD 3.48Å
112	T	94.1	Very high	95.1	Very high	46 Å²	46	64.1 Å²	64.1	28%	0.282	33%	0.328	S	S	.	.	H	α-helix	trans	-93.9	-27.6	176.4	51.7	0	0	0	0	112.8	Y108 E109 V110	Y108-T112 WeakPolarHBondContact O-CB 3.45Å; Y108-T112 VanDerWaalsContact O-CG2 3.31Å; Y108-T112 WeakPolarHBondContact O-CG2 3.37Å; Y108-T112 PolarHBondContact O-N 3.19Å; Y108-T112 PolarHBondContact O-OG1 2.65Å; E109-T112 PolarHBondContact O-N 3.49Å; E109-T112 PolarHBondContact O-OG1 3.49Å; E109-T112 VanDerWaalsContact O-OG1 3.07Å; V110-T112 PolarHBondContact O-N 2.88Å
113	F	95.5	Very high	95	Very high	154 Å²	154	63 Å²	63	68%	0.675	32%	0.322	S	S	*	.	H	α-helix	trans	-76.1	-46.7	-179.2	-176.3	-96.9	0	0	0	112.8	E109 V110	E109-F113 WeakPolarHBondContact O-CB 3.43Å; E109-F113 PolarHBondContact O-N 3.02Å; V110-F113 PolarHBondContact O-N 3.36Å
114	Y	95.6	Very high	94.8	Very high	105 Å²	105	66.4 Å²	66.4	41%	0.412	33%	0.326	S	S	.	.	S	Bend	trans	-85.6	129.6	-179.2	-64.7	-82.1	0	0	0	111.5	I75 V110 M116 F117	I75-Y114 HydrophobicContact CD1-CE2 3.76Å; I75-Y114 HydrophobicContact CG1-CE2 4.2Å; V110-Y114 HydrophobicContact CG1-CD2 3.77Å; V110-Y114 HydrophobicContact CG1-CE2 3.92Å; V110-Y114 WeakPolarHBondContact O-CD2 3.15Å; V110-Y114 PolarHBondContact O-N 3.44Å; V110-Y114 VanDerWaalsContact O-N 3.15Å; Y114-M116 VanDerWaalsContact C-N 3.28Å; Y114-M116 PolarHBondContact O-N 3.44Å; Y114-F117 HydrophobicContact CD2-CD2 4.48Å; Y114-F117 HydrophobicContact CD2-CE2 4.12Å; Y114-F117 HydrophobicContact CG-CE2 4.33Å; Y114-F117 PolarHBondContact O-N 3.34Å
115	T	93.1	Very high	94.8	Very high	133 Å²	133	64.7 Å²	64.7	82%	0.816	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.6	-174.4	53.1	0	0	0	0	114.3	F117	T115-F117 VanDerWaalsContact C-N 3.26Å; T115-F117 PolarHBondContact O-N 3.18Å
116	M	93.9	Very high	94.7	Very high	116 Å²	116	60.3 Å²	60.3	57%	0.571	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.5	176.4	-66.3	178.8	68.8	0	0	112.7	Q82 Y114 L118	Q82-M116 PolarHBondContact NE2-O 3.19Å; Q82-M116 PolarHBondContact OE1-O 3.49Å; Y114-M116 VanDerWaalsContact C-N 3.28Å; Y114-M116 PolarHBondContact O-N 3.44Å; M116-L118 PolarHBondContact O-N 2.9Å
117	F	95.9	Very high	94.7	Very high	15 Å²	15	55.2 Å²	55.2	7%	0.066	27%	0.271	C	S	.	.			trans	-81.1	106.8	-177.3	-69	-45.9	0	0	0	111.4	I75 L78 D79 Q82 L88 V110 Y114 T115 R119	I75-F117 HydrophobicContact CG2-CZ 4.12Å; L78-F117 HydrophobicContact CB-CD1 4.31Å; L78-F117 HydrophobicContact CB-CE1 3.64Å; L78-F117 HydrophobicContact CB-CE2 4.43Å; L78-F117 HydrophobicContact CB-CZ 3.7Å; L78-F117 HydrophobicContact CD1-CE2 4.17Å; L78-F117 HydrophobicContact CD1-CZ 4.24Å; D79-F117 HydrophobicContact CB-CE1 4.19Å; Q82-F117 VanDerWaalsContact OE1-CA 3.28Å; L88-F117 HydrophobicContact CD1-CB 3.78Å; L88-F117 HydrophobicContact CD1-CD1 3.53Å; L88-F117 HydrophobicContact CD1-CE1 4.42Å; L88-F117 HydrophobicContact CD1-CG 3.85Å; V110-F117 HydrophobicContact CG1-CD2 4.49Å; V110-F117 HydrophobicContact CG1-CE2 3.86Å; Y114-F117 HydrophobicContact CD2-CD2 4.48Å; Y114-F117 HydrophobicContact CD2-CE2 4.12Å; Y114-F117 HydrophobicContact CG-CE2 4.33Å; Y114-F117 PolarHBondContact O-N 3.34Å; T115-F117 VanDerWaalsContact C-N 3.26Å; T115-F117 PolarHBondContact O-N 3.18Å; F117-R119 PolarHBondContact O-N 3.17Å
118	L	93.9	Very high	94.7	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.047	28%	0.277	C	S	.	.			trans	-85.5	106.2	-174.1	-56.4	176.9	0	0	0	109.4	A30 W87 L88 M116 V122 F126	A30-L118 HydrophobicContact CB-CD2 3.72Å; W87-L118 CarbonylContact C-O 3.58Å; W87-L118 HydrophobicContact CB-CB 4.15Å; W87-L118 WeakPolarHBondContact CB-O 3.44Å; L88-L118 PolarHBondContact N-O 2.67Å; M116-L118 PolarHBondContact O-N 2.9Å; L118-V122 HydrophobicContact CB-CG1 4.45Å; L118-V122 HydrophobicContact CD1-CB 4.33Å; L118-V122 HydrophobicContact CD1-CG1 3.94Å; L118-V122 HydrophobicContact CD1-CG2 3.51Å; L118-V122 HydrophobicContact CD2-CG1 4.32Å; L118-V122 HydrophobicContact CG-CG1 4.47Å; L118-F126 HydrophobicContact CD1-CD2 4.38Å; L118-F126 HydrophobicContact CD1-CG 4.39Å; L118-F126 HydrophobicContact CD2-CE1 3.99Å; L118-F126 HydrophobicContact CD2-CE2 3.95Å; L118-F126 HydrophobicContact CD2-CZ 3.59Å
119	R	93	Very high	94.7	Very high	40 Å²	40	53.8 Å²	53.8	15%	0.151	27%	0.267	C	S	.	.			trans	-91.4	0.7	-178.7	-61.2	-176.7	-74.2	103.8	-0.1	114.2	G31 I33 W87 M93 A111 F117	G31-R119 PolarHBondContact O-NH2 3.31Å; I33-R119 PolarHBondContact O-NH1 3.37Å; I33-R119 PolarHBondContact O-NH2 2.91Å; W87-R119 WeakPolarHBondContact CZ3-O 3.48Å; M93-R119 HydrophobicContact CE-CG 3.71Å; A111-R119 WeakPolarHBondContact O-CD 3.48Å; F117-R119 PolarHBondContact O-N 3.17Å
120	K	90.6	Very high	94.7	Very high	93 Å²	93	50.6 Å²	50.6	40%	0.404	25%	0.252	S	S	.	.	S	Bend	trans	-124.5	151.1	174.4	-66.3	-169.2	-173.6	174.7	0	108.5	A30 W87 V122	A30-K120 WeakPolarHBondContact O-CD 3.42Å; W87-K120 WeakPolarHBondContact CB-O 3.44Å; K120-V122 PolarHBondContact O-N 3.17Å
121	P	91.7	Very high	94.6	Very high	87 Å²	87	50.1 Å²	50.1	57%	0.565	25%	0.249	S	C	*	.			trans	-61	125	172.8	26	-34	0	0	0	109.7	W87	W87-P121 HydrophobicContact CD2-CB 4.38Å; W87-P121 HydrophobicContact CG-CB 4.46Å
122	V	92.7	Very high	94.6	Very high	34 Å²	34	51.2 Å²	51.2	21%	0.206	26%	0.256	C	S	.	.			trans	-106.7	166.3	172.4	-64.2	0	0	0	0	110	L118 K120 F126 T165	L118-V122 HydrophobicContact CB-CG1 4.45Å; L118-V122 HydrophobicContact CD1-CB 4.33Å; L118-V122 HydrophobicContact CD1-CG1 3.94Å; L118-V122 HydrophobicContact CD1-CG2 3.51Å; L118-V122 HydrophobicContact CD2-CG1 4.32Å; L118-V122 HydrophobicContact CG-CG1 4.47Å; K120-V122 PolarHBondContact O-N 3.17Å; V122-F126 HydrophobicContact CB-CD2 4.07Å; V122-F126 HydrophobicContact CG1-CD2 3.92Å; V122-F126 HydrophobicContact CG1-CE2 3.92Å; V122-F126 HydrophobicContact CG2-CD2 4.36Å; V122-T165 HydrophobicContact CB-CG2 4.46Å; V122-T165 HydrophobicContact CG1-CG2 4.27Å
123	G	92.4	Very high	94.8	Very high	6 Å²	6	53.3 Å²	53.3	6%	0.062	27%	0.269	C	S	.	.			trans	-68.3	165.8	171.3	0	0	0	0	0	112.4	Y125 K162 T165	G123-Y125 PolarHBondContact O-N 2.96Å; G123-K162 WeakPolarHBondContact CA-O 3.17Å; G123-T165 PolarHBondContact N-OG1 2.98Å
124	K	94.1	Very high	94.8	Very high	130 Å²	130	48.6 Å²	48.6	57%	0.565	25%	0.254	S	S	*	.	S	Bend	trans	-54.8	-35.2	-179.5	-177.9	178.1	176.6	-175.9	0	114	K162 M163 N184	K124-K162 PolarHBondContact N-O 3.48Å; K124-K162 VanDerWaalsContact N-O 3.14Å; K124-M163 HydrophobicContact CB-SD 4.3Å; K124-M163 HydrophobicContact CD-CE 4.12Å; K124-M163 HydrophobicContact CD-SD 4.21Å; K124-M163 PolarHBondContact N-O 3.29Å; K124-M163 VanDerWaalsContact N-O 3.12Å; K124-N184 PolarHBondContact O-ND2 3.06Å
125	Y	96.4	Very high	94.9	Very high	17 Å²	17	43.7 Å²	43.7	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108	178	-62.2	-65.6	0	0	0	109.2	G123 I127 M163 F164 T165 I183 L203	G123-Y125 PolarHBondContact O-N 2.96Å; Y125-I127 PolarHBondContact O-N 2.76Å; Y125-M163 WeakPolarHBondContact CB-O 3.49Å; Y125-M163 HydrophobicContact CD2-CE 4.12Å; Y125-M163 HydrophobicContact CE2-CE 3.7Å; Y125-M163 PolarHBondContact N-O 2.95Å; Y125-F164 HydrophobicContact CD2-CD1 4.2Å; Y125-F164 AromaticContact CD2-CE1 3.67Å; Y125-F164 HydrophobicContact CD2-CE1 3.67Å; Y125-F164 AromaticContact CD2-CZ 3.9Å; Y125-F164 HydrophobicContact CD2-CZ 3.9Å; Y125-F164 HydrophobicContact CG-CD1 4.31Å; Y125-F164 AromaticContact CG-CE1 3.98Å; Y125-F164 HydrophobicContact CG-CE1 3.98Å; Y125-F164 WeakPolarHBondContact O-CA 3.28Å; Y125-T165 PolarHBondContact O-N 3.31Å; Y125-I183 HydrophobicContact CD1-CG2 4.07Å; Y125-I183 HydrophobicContact CG-CG2 4.41Å; Y125-L203 HydrophobicContact CD1-CD2 4.05Å; Y125-L203 HydrophobicContact CD2-CB 4.39Å; Y125-L203 HydrophobicContact CE1-CD2 3.65Å; Y125-L203 HydrophobicContact CE2-CB 4.16Å
126	F	95.9	Very high	95.1	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	101.8	177.5	-171.2	-113.3	0	0	0	109.3	A30 L118 V122 Q128 T165 I167 I183 N184	A30-F126 HydrophobicContact CB-CE2 4.24Å; A30-F126 HydrophobicContact CB-CZ 4.24Å; L118-F126 HydrophobicContact CD1-CD2 4.38Å; L118-F126 HydrophobicContact CD1-CG 4.39Å; L118-F126 HydrophobicContact CD2-CE1 3.99Å; L118-F126 HydrophobicContact CD2-CE2 3.95Å; L118-F126 HydrophobicContact CD2-CZ 3.59Å; V122-F126 HydrophobicContact CB-CD2 4.07Å; V122-F126 HydrophobicContact CG1-CD2 3.92Å; V122-F126 HydrophobicContact CG1-CE2 3.92Å; V122-F126 HydrophobicContact CG2-CD2 4.36Å; F126-Q128 HydrophobicContact CD1-CG 3.47Å; F126-Q128 VanDerWaalsContact CD1-CG 3.47Å; F126-Q128 VanDerWaalsContact CE1-CD 3.44Å; F126-Q128 HydrophobicContact CE1-CG 3.33Å; F126-Q128 HydrophobicContact CG-CG 4.5Å; F126-Q128 HydrophobicContact CZ-CG 4.27Å; F126-T165 HydrophobicContact CD2-CG2 3.9Å; F126-T165 HydrophobicContact CE2-CG2 3.85Å; F126-I167 HydrophobicContact CE1-CG2 3.77Å; F126-I167 HydrophobicContact CE2-CB 4.39Å; F126-I167 HydrophobicContact CE2-CG2 3.85Å; F126-I167 HydrophobicContact CZ-CB 4.17Å; F126-I167 HydrophobicContact CZ-CD1 4.25Å; F126-I167 HydrophobicContact CZ-CG2 3.33Å; F126-I183 WeakPolarHBondContact O-CA 3.39Å; F126-N184 PolarHBondContact N-OD1 3.04Å; F126-N184 PolarHBondContact O-N 3.07Å; F126-N184 VanDerWaalsContact O-N 3.17Å
127	I	97.2	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.6	-179.2	-56.9	169.8	0	0	0	108.7	Y125 I147 L151 F164 T165 L166 I167 I183	Y125-I127 PolarHBondContact O-N 2.76Å; I127-I147 HydrophobicContact CD1-CG2 4.3Å; I127-I147 HydrophobicContact CG2-CD1 4.22Å; I127-L151 HydrophobicContact CD1-CD1 3.85Å; I127-F164 HydrophobicContact CD1-CB 4.37Å; I127-F164 HydrophobicContact CD1-CD1 3.71Å; I127-F164 HydrophobicContact CD1-CE1 4.5Å; I127-F164 HydrophobicContact CD1-CG 4.41Å; I127-F164 HydrophobicContact CG1-CD1 4.29Å; I127-T165 PolarHBondContact N-O 2.74Å; I127-L166 HydrophobicContact CB-CD1 4.25Å; I127-L166 HydrophobicContact CG2-CD1 3.89Å; I127-I167 WeakPolarHBondContact O-CG2 3.48Å; I127-I167 PolarHBondContact O-N 2.61Å; I127-I183 HydrophobicContact CG1-CD1 4.33Å; I127-I183 HydrophobicContact CG1-CG1 4.17Å; I127-I183 HydrophobicContact CG1-CG2 4.47Å
128	Q	97.1	Very high	95.2	Very high	27 Å²	27	44.5 Å²	44.5	13%	0.126	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.4	178	-64.3	177	77.5	0	0	108.4	F126 I167 V169 V181 Q182	F126-Q128 HydrophobicContact CD1-CG 3.47Å; F126-Q128 VanDerWaalsContact CD1-CG 3.47Å; F126-Q128 VanDerWaalsContact CE1-CD 3.44Å; F126-Q128 HydrophobicContact CE1-CG 3.33Å; F126-Q128 HydrophobicContact CG-CG 4.5Å; F126-Q128 HydrophobicContact CZ-CG 4.27Å; Q128-I167 WeakPolarHBondContact CA-O 3.33Å; Q128-I167 HydrophobicContact CB-CG2 4.31Å; Q128-I167 HydrophobicContact CG-CG2 3.71Å; Q128-V169 HydrophobicContact CB-CB 4.47Å; Q128-V169 HydrophobicContact CB-CG1 3.78Å; Q128-V169 HydrophobicContact CB-CG2 3.81Å; Q128-V169 HydrophobicContact CG-CG1 3.93Å; Q128-V181 CarbonylContact O-C 3.56Å; Q128-V181 WeakPolarHBondContact O-CA 3.35Å; Q128-Q182 HydrophobicContact CB-CB 4.17Å; Q128-Q182 PolarHBondContact N-O 3Å; Q128-Q182 PolarHBondContact O-N 3.39Å
129	I	96.9	Very high	95.3	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.6	178	-179.6	157.5	0	0	0	110.8	T131 I143 L144 I147 L166 I167 V169 V181	I129-T131 HydrophobicContact CG1-CG2 4.43Å; I129-I143 HydrophobicContact CD1-CB 3.98Å; I129-I143 HydrophobicContact CD1-CG2 3.95Å; I129-L144 HydrophobicContact CD1-CB 3.78Å; I129-L144 HydrophobicContact CG2-CD1 3.77Å; I129-I147 HydrophobicContact CD1-CD1 4.09Å; I129-L166 HydrophobicContact CG2-CD1 4.04Å; I129-I167 WeakPolarHBondContact CG2-O 3.27Å; I129-I167 PolarHBondContact N-O 3.19Å; I129-V169 WeakPolarHBondContact O-CG2 3.03Å; I129-V169 PolarHBondContact O-N 3.28Å; I129-V181 HydrophobicContact CB-CG1 3.98Å; I129-V181 HydrophobicContact CD1-CG1 4.06Å; I129-V181 HydrophobicContact CG1-CG1 3.97Å
130	C	96.9	Very high	95.5	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.5	175.1	177.4	0	0	0	0	110.1	T132 C135 S140 L172 M180	C130-T132 PolarHBondContact SG-OG1 2.88Å; C130-C135 HydrophobicContact CB-CB 4.38Å; C130-C135 WeakPolarHBondContact O-CB 3.08Å; C130-S140 WeakPolarHBondContact O-CB 3.15Å; C130-L172 HydrophobicContact CB-CD1 4.3Å; C130-L172 HydrophobicContact CB-CG 4.41Å; C130-M180 HydrophobicContact CB-SD 3.98Å
131	T	94.8	Very high	95.7	Very high	20 Å²	20	42.7 Å²	42.7	12%	0.123	24%	0.237	C	C	.	.			trans	-116.6	12.9	177.6	57.7	0	0	0	0	112.9	I129 E168 V169	I129-T131 HydrophobicContact CG1-CG2 4.43Å; T131-E168 WeakPolarHBondContact CB-OE1 3.31Å; T131-E168 HydrophobicContact CG2-CG 3.77Å; T131-E168 VanDerWaalsContact OG1-CD 3.32Å; T131-E168 WeakPolarHBondContact OG1-CG 3.44Å; T131-E168 PolarHBondContact OG1-OE1 2.67Å; T131-V169 PolarHBondContact N-O 3.36Å
132	T	95.3	Very high	95.9	Very high	24 Å²	24	39.9 Å²	39.9	15%	0.147	22%	0.22	C	C	.	.	S	Bend	trans	-65.9	163.2	175.4	62.4	0	0	0	0	112.3	C130 P134 C135 M136 E170 C171	C130-T132 PolarHBondContact SG-OG1 2.88Å; T132-P134 VanDerWaalsContact O-N 3.11Å; T132-C135 CarbonylContact O-C 3.36Å; T132-C135 PolarHBondContact O-N 2.64Å; T132-M136 PolarHBondContact O-N 2.7Å; T132-E170 HydrophobicContact CG2-CB 4.21Å; T132-E170 WeakPolarHBondContact CG2-OE2 3.47Å; T132-C171 HydrophobicContact CG2-CB 4.1Å
133	T	97.5	Very high	96.1	Very high	90 Å²	90	38.4 Å²	38.4	55%	0.552	21%	0.211	S	C	*	.	H	α-helix	trans	-45.4	-48.1	-169.9	-48.8	0	0	0	0	115.1	C135 M136 L137	T133-C135 PolarHBondContact O-N 2.9Å; T133-M136 HydrophobicContact CG2-CE 4.43Å; T133-M136 PolarHBondContact O-N 2.81Å; T133-L137 HydrophobicContact CG2-CD1 4.06Å; T133-L137 HydrophobicContact CG2-CG 4.27Å; T133-L137 WeakPolarHBondContact O-CB 3.5Å; T133-L137 VanDerWaalsContact O-CG 3.24Å; T133-L137 WeakPolarHBondContact O-CG 3.45Å; T133-L137 PolarHBondContact O-N 3.28Å
134	P	97.1	Very high	96.3	Very high	55 Å²	55	38.3 Å²	38.3	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-44.2	178.9	-23.1	35.4	0	0	0	113	T132 L137 C138 C175	T132-P134 VanDerWaalsContact O-N 3.11Å; P134-L137 PolarHBondContact O-N 3.42Å; P134-C138 PolarHBondContact O-N 2.88Å; P134-C138 PolarHBondContact O-SG 2.62Å; P134-C175 HydrophobicContact CB-CB 4.32Å
135	C	97.1	Very high	96.4	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-70.5	-34.9	176.3	-74.5	0	0	0	0	112.2	C130 T132 T133 C138 N139 S140 A178	C130-C135 HydrophobicContact CB-CB 4.38Å; C130-C135 WeakPolarHBondContact O-CB 3.08Å; T132-C135 CarbonylContact O-C 3.36Å; T132-C135 PolarHBondContact O-N 2.64Å; T133-C135 PolarHBondContact O-N 2.9Å; C135-C138 CarbonylContact O-C 3.57Å; C135-C138 PolarHBondContact O-N 2.77Å; C135-N139 PolarHBondContact O-N 3.22Å; C135-S140 WeakPolarHBondContact O-CB 3.34Å; C135-S140 PolarHBondContact O-N 2.78Å; C135-S140 PolarHBondContact O-OG 2.99Å; C135-A178 HydrophobicContact CB-CB 4.49Å
136	M	95.9	Very high	96.4	Very high	79 Å²	79	36.9 Å²	36.9	39%	0.389	21%	0.206	S	C	.	.	H	α-helix	trans	-63.5	-43.9	175.2	-173.4	-172.4	71	0	0	111.3	T132 T133 C138 N139 S140	T132-M136 PolarHBondContact O-N 2.7Å; T133-M136 HydrophobicContact CG2-CE 4.43Å; T133-M136 PolarHBondContact O-N 2.81Å; M136-C138 VanDerWaalsContact C-N 3.27Å; M136-C138 PolarHBondContact O-N 2.75Å; M136-N139 PolarHBondContact O-N 2.89Å; M136-S140 WeakPolarHBondContact CA-OG 3.35Å; M136-S140 PolarHBondContact N-OG 3.17Å
137	L	97.3	Very high	96.5	Very high	137 Å²	137	36.1 Å²	36.1	72%	0.717	20%	0.203	S	C	*	.	H	α-helix	trans	-62.9	-34.6	176	-70.3	173.4	0	0	0	112	T133 P134 N139	T133-L137 HydrophobicContact CG2-CD1 4.06Å; T133-L137 HydrophobicContact CG2-CG 4.27Å; T133-L137 WeakPolarHBondContact O-CB 3.5Å; T133-L137 VanDerWaalsContact O-CG 3.24Å; T133-L137 WeakPolarHBondContact O-CG 3.45Å; T133-L137 PolarHBondContact O-N 3.28Å; P134-L137 PolarHBondContact O-N 3.42Å; L137-N139 PolarHBondContact O-N 3.03Å
138	C	96.4	Very high	96.4	Very high	64 Å²	64	38.7 Å²	38.7	43%	0.432	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	19.9	172.1	-62	0	0	0	0	113.7	P134 C135 M136 A178	P134-C138 PolarHBondContact O-N 2.88Å; P134-C138 PolarHBondContact O-SG 2.62Å; C135-C138 CarbonylContact O-C 3.57Å; C135-C138 PolarHBondContact O-N 2.77Å; M136-C138 VanDerWaalsContact C-N 3.27Å; M136-C138 PolarHBondContact O-N 2.75Å; C138-A178 HydrophobicContact CB-CB 3.84Å
139	N	95.9	Very high	96.4	Very high	83 Å²	83	43.8 Å²	43.8	44%	0.444	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	36.9	171.9	-162.2	27.4	0	0	0	116.2	C135 M136 L137 D141 S142	C135-N139 PolarHBondContact O-N 3.22Å; M136-N139 PolarHBondContact O-N 2.89Å; L137-N139 PolarHBondContact O-N 3.03Å; N139-D141 PolarHBondContact O-N 3.47Å; N139-S142 WeakPolarHBondContact ND2-CB 3.45Å; N139-S142 PolarHBondContact ND2-OG 2.95Å; N139-S142 PolarHBondContact O-N 2.92Å; N139-S142 VanDerWaalsContact O-N 3.13Å; N139-S142 PolarHBondContact O-OG 3.27Å
140	S	96	Very high	96.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-56.4	-26.2	172.7	54.7	0	0	0	0	114.5	C130 C135 M136 S142 I143 L144	C130-S140 WeakPolarHBondContact O-CB 3.15Å; C135-S140 WeakPolarHBondContact O-CB 3.34Å; C135-S140 PolarHBondContact O-N 2.78Å; C135-S140 PolarHBondContact O-OG 2.99Å; M136-S140 WeakPolarHBondContact CA-OG 3.35Å; M136-S140 PolarHBondContact N-OG 3.17Å; S140-S142 PolarHBondContact O-N 2.87Å; S140-I143 WeakPolarHBondContact O-CA 3.43Å; S140-I143 WeakPolarHBondContact O-CB 3.45Å; S140-I143 PolarHBondContact O-N 3.43Å; S140-L144 PolarHBondContact O-N 3.17Å
141	D	95.2	Very high	96.2	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-35.6	175.8	-79.4	-33.4	0	0	0	112.3	R19 N139 I143 L144 E145	R19-D141 IonicContact CZ-OD1 2.64Å; R19-D141 IonicContact CZ-OD2 3.01Å; R19-D141 IonicContact NE-OD2 2.76Å; R19-D141 IonicContact NH1-OD1 2.69Å; R19-D141 PolarHBondContact NH1-OD1 2.8Å; R19-D141 IonicContact NH1-OD2 3.27Å; R19-D141 PolarHBondContact NH1-OD2 2.99Å; R19-D141 IonicContact NH2-OD1 3.34Å; R19-D141 PolarHBondContact NH2-OD1 3.19Å; R19-D141 IonicContact NH2-OD2 2.96Å; N139-D141 PolarHBondContact O-N 3.47Å; D141-I143 VanDerWaalsContact C-N 3.29Å; D141-I143 PolarHBondContact O-N 3.31Å; D141-L144 WeakPolarHBondContact O-CB 3.5Å; D141-L144 PolarHBondContact O-N 3.42Å; D141-E145 WeakPolarHBondContact O-CG 3.28Å; D141-E145 PolarHBondContact O-N 2.89Å
142	S	96.6	Very high	96.2	Very high	28 Å²	28	49.9 Å²	49.9	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-33.4	175.1	69.8	0	0	0	0	112.8	N139 S140 A146	N139-S142 WeakPolarHBondContact ND2-CB 3.45Å; N139-S142 PolarHBondContact ND2-OG 2.95Å; N139-S142 PolarHBondContact O-N 2.92Å; N139-S142 VanDerWaalsContact O-N 3.13Å; N139-S142 PolarHBondContact O-OG 3.27Å; S140-S142 PolarHBondContact O-N 2.87Å; S142-A146 WeakPolarHBondContact O-CB 3.45Å; S142-A146 PolarHBondContact O-N 3.1Å
143	I	97.3	Very high	96.2	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-70.3	-42.3	175.4	-51.3	-58.3	0	0	0	109.6	I129 S140 D141 E145 A146 I147 P179 V181 L191 P193 I196	I129-I143 HydrophobicContact CD1-CB 3.98Å; I129-I143 HydrophobicContact CD1-CG2 3.95Å; S140-I143 WeakPolarHBondContact O-CA 3.43Å; S140-I143 WeakPolarHBondContact O-CB 3.45Å; S140-I143 PolarHBondContact O-N 3.43Å; D141-I143 VanDerWaalsContact C-N 3.29Å; D141-I143 PolarHBondContact O-N 3.31Å; I143-E145 PolarHBondContact O-N 3.49Å; I143-A146 PolarHBondContact O-N 2.81Å; I143-I147 HydrophobicContact CG2-CD1 4.13Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 2.84Å; I143-P179 HydrophobicContact CD1-CG 4.5Å; I143-P179 HydrophobicContact CG1-CB 4.26Å; I143-P179 HydrophobicContact CG1-CG 4.03Å; I143-V181 HydrophobicContact CG2-CG1 4.23Å; I143-L191 HydrophobicContact CD1-CB 4.18Å; I143-L191 WeakPolarHBondContact CD1-O 3.2Å; I143-P193 HydrophobicContact CD1-CG 4.01Å; I143-P193 VanDerWaalsContact CD1-N 3.34Å; I143-I196 HydrophobicContact CG2-CB 4.13Å; I143-I196 HydrophobicContact CG2-CG1 4.2Å; I143-I196 HydrophobicContact CG2-CG2 3.95Å
144	L	95.7	Very high	96	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-48.8	175.7	177.7	65	0	0	0	111.4	I129 S140 D141 A146 I147 Q148 V155 L166	I129-L144 HydrophobicContact CD1-CB 3.78Å; I129-L144 HydrophobicContact CG2-CD1 3.77Å; S140-L144 PolarHBondContact O-N 3.17Å; D141-L144 WeakPolarHBondContact O-CB 3.5Å; D141-L144 PolarHBondContact O-N 3.42Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 2.97Å; L144-I147 PolarHBondContact O-N 3.46Å; L144-Q148 HydrophobicContact CD1-CG 4.5Å; L144-Q148 WeakPolarHBondContact O-CG 3.46Å; L144-Q148 PolarHBondContact O-N 3.19Å; L144-V155 HydrophobicContact CD1-CG2 3.79Å; L144-V155 HydrophobicContact CD2-CG2 4.31Å; L144-L166 HydrophobicContact CD1-CD1 4.37Å; L144-L166 HydrophobicContact CD1-CD2 3.95Å; L144-L166 HydrophobicContact CD1-CG 4.46Å
145	E	96.3	Very high	95.7	Very high	109 Å²	109	51.2 Å²	51.2	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-40.9	178	-72.2	179	-175.9	0	0	111.9	D141 I143 I147 Q148 N149	D141-E145 WeakPolarHBondContact O-CG 3.28Å; D141-E145 PolarHBondContact O-N 2.89Å; I143-E145 PolarHBondContact O-N 3.49Å; E145-I147 PolarHBondContact O-N 3.2Å; E145-Q148 PolarHBondContact O-N 3.02Å; E145-N149 WeakPolarHBondContact O-CB 3.48Å; E145-N149 PolarHBondContact O-N 3.36Å; E145-N149 PolarHBondContact O-ND2 3.38Å; E145-N149 VanDerWaalsContact O-ND2 3.13Å
146	A	97.1	Very high	95.3	Very high	8 Å²	8	53.3 Å²	53.3	7%	0.066	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-44.5	175.5	0	0	0	0	0	112	S142 I143 L144 N149 K150 P193 I196	S142-A146 WeakPolarHBondContact O-CB 3.45Å; S142-A146 PolarHBondContact O-N 3.1Å; I143-A146 PolarHBondContact O-N 2.81Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 2.97Å; A146-N149 PolarHBondContact O-N 3.34Å; A146-K150 VanDerWaalsContact O-CB 3.23Å; A146-K150 WeakPolarHBondContact O-CB 3.38Å; A146-K150 PolarHBondContact O-N 3.15Å; A146-P193 HydrophobicContact CB-CB 3.93Å; A146-I196 HydrophobicContact CB-CG2 4.1Å
147	I	96.6	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-45.9	176.5	-61.7	160.7	0	0	0	110.7	I127 I129 I143 L144 E145 N149 K150 L151 L166 V181 I196 I200	I127-I147 HydrophobicContact CD1-CG2 4.3Å; I127-I147 HydrophobicContact CG2-CD1 4.22Å; I129-I147 HydrophobicContact CD1-CD1 4.09Å; I143-I147 HydrophobicContact CG2-CD1 4.13Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 2.84Å; L144-I147 PolarHBondContact O-N 3.46Å; E145-I147 PolarHBondContact O-N 3.2Å; I147-N149 PolarHBondContact O-N 3.25Å; I147-K150 PolarHBondContact O-N 3.34Å; I147-L151 HydrophobicContact CG2-CD1 3.71Å; I147-L151 HydrophobicContact CG2-CG 4.3Å; I147-L151 WeakPolarHBondContact O-CB 3.29Å; I147-L151 PolarHBondContact O-N 2.93Å; I147-L166 HydrophobicContact CD1-CD1 4.4Å; I147-L166 HydrophobicContact CG2-CD1 4.02Å; I147-L166 HydrophobicContact CG2-CD2 3.95Å; I147-L166 HydrophobicContact CG2-CG 4.47Å; I147-V181 HydrophobicContact CD1-CG1 4.3Å; I147-I196 HydrophobicContact CD1-CD1 4.42Å; I147-I196 HydrophobicContact CD1-CG1 3.89Å; I147-I196 HydrophobicContact CG1-CD1 4.43Å; I147-I196 HydrophobicContact CG1-CG1 3.52Å; I147-I196 HydrophobicContact CG1-CG2 4.38Å; I147-I200 HydrophobicContact CB-CD1 4.48Å; I147-I200 HydrophobicContact CG1-CD1 4.2Å; I147-I200 HydrophobicContact CG2-CD1 4.2Å
148	Q	95.8	Very high	95	Very high	54 Å²	54	50.1 Å²	50.1	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-45.2	179.1	-71.6	179.9	0.2	0	0	111.7	L144 E145 G152 I153 L166	L144-Q148 HydrophobicContact CD1-CG 4.5Å; L144-Q148 WeakPolarHBondContact O-CG 3.46Å; L144-Q148 PolarHBondContact O-N 3.19Å; E145-Q148 PolarHBondContact O-N 3.02Å; Q148-G152 VanDerWaalsContact O-CA 3.31Å; Q148-G152 WeakPolarHBondContact O-CA 3.35Å; Q148-G152 PolarHBondContact O-N 2.91Å; Q148-I153 WeakPolarHBondContact CG-O 3Å; Q148-L166 HydrophobicContact CG-CD2 3.82Å
149	N	96.5	Very high	94.9	Very high	133 Å²	133	47.6 Å²	47.6	71%	0.711	27%	0.271	S	S	*	.	H	α-helix	trans	-66.3	-39.3	178.7	-69.5	-29.7	0	0	0	112	E145 A146 I147	E145-N149 WeakPolarHBondContact O-CB 3.48Å; E145-N149 PolarHBondContact O-N 3.36Å; E145-N149 PolarHBondContact O-ND2 3.38Å; E145-N149 VanDerWaalsContact O-ND2 3.13Å; A146-N149 PolarHBondContact O-N 3.34Å; I147-N149 PolarHBondContact O-N 3.25Å
150	K	95.3	Very high	94.8	Very high	63 Å²	63	48.9 Å²	48.9	27%	0.274	29%	0.293	S	S	.	.	H	α-helix	trans	-71.9	-36.7	-179.3	-174.5	68.1	170.2	-161.8	0	113.2	A146 I147 E197 I200 D201	A146-K150 VanDerWaalsContact O-CB 3.23Å; A146-K150 WeakPolarHBondContact O-CB 3.38Å; A146-K150 PolarHBondContact O-N 3.15Å; I147-K150 PolarHBondContact O-N 3.34Å; K150-E197 HydrophobicContact CD-CG 4.25Å; K150-E197 HydrophobicContact CG-CG 4.43Å; K150-I200 HydrophobicContact CB-CD1 4.43Å; K150-I200 HydrophobicContact CG-CD1 4.19Å; K150-I200 HydrophobicContact CG-CG2 4.06Å; K150-D201 WeakPolarHBondContact CE-OD1 3.43Å; K150-D201 IonicContact NZ-OD1 3.18Å; K150-D201 PolarHBondContact NZ-OD1 3.02Å; K150-D201 IonicContact NZ-OD2 2.81Å; K150-D201 PolarHBondContact NZ-OD2 3.42Å
151	L	94.8	Very high	94.6	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-97.3	-17.5	-177	-64.1	-178.2	0	0	0	113.5	I127 I147 I153 T159 F164 I200	I127-L151 HydrophobicContact CD1-CD1 3.85Å; I147-L151 HydrophobicContact CG2-CD1 3.71Å; I147-L151 HydrophobicContact CG2-CG 4.3Å; I147-L151 WeakPolarHBondContact O-CB 3.29Å; I147-L151 PolarHBondContact O-N 2.93Å; L151-I153 VanDerWaalsContact C-N 3.3Å; L151-I153 HydrophobicContact CB-CD1 4.33Å; L151-I153 HydrophobicContact CB-CG1 3.79Å; L151-I153 HydrophobicContact CD1-CD1 4.21Å; L151-I153 HydrophobicContact CD1-CG1 4.46Å; L151-I153 PolarHBondContact O-N 3.12Å; L151-T159 HydrophobicContact CB-CG2 4.13Å; L151-T159 HydrophobicContact CD2-CG2 4.47Å; L151-F164 HydrophobicContact CD1-CB 3.8Å; L151-F164 HydrophobicContact CD1-CG 4.11Å; L151-F164 HydrophobicContact CD2-CB 4.46Å; L151-F164 HydrophobicContact CD2-CD2 3.93Å; L151-F164 HydrophobicContact CD2-CE2 4.4Å; L151-F164 HydrophobicContact CD2-CG 4.14Å; L151-I200 HydrophobicContact CD1-CD1 4.5Å; L151-I200 HydrophobicContact CD2-CG2 3.7Å; L151-I200 HydrophobicContact CG-CD1 4.34Å
152	G	95.2	Very high	94.5	Very high	68 Å²	68	60.1 Å²	60.1	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	25.5	-178	0	0	0	0	0	114	Q148	Q148-G152 VanDerWaalsContact O-CA 3.31Å; Q148-G152 WeakPolarHBondContact O-CA 3.35Å; Q148-G152 PolarHBondContact O-N 2.91Å
153	I	94.4	Very high	94.4	Very high	15 Å²	15	61.3 Å²	61.3	8%	0.077	35%	0.348	C	S	.	.			trans	-124.1	159.7	-178.6	60.9	165.1	0	0	0	111.2	Q148 L151 E157 T159 L166	Q148-I153 WeakPolarHBondContact CG-O 3Å; L151-I153 VanDerWaalsContact C-N 3.3Å; L151-I153 HydrophobicContact CB-CD1 4.33Å; L151-I153 HydrophobicContact CB-CG1 3.79Å; L151-I153 HydrophobicContact CD1-CD1 4.21Å; L151-I153 HydrophobicContact CD1-CG1 4.46Å; L151-I153 PolarHBondContact O-N 3.12Å; I153-E157 HydrophobicContact CB-CB 4.12Å; I153-T159 HydrophobicContact CD1-CG2 4.11Å; I153-T159 HydrophobicContact CG1-CG2 4.44Å; I153-T159 HydrophobicContact CG2-CG2 3.76Å; I153-L166 HydrophobicContact CD1-CB 3.69Å; I153-L166 HydrophobicContact CG1-CB 4.45Å
154	K	92.7	Very high	94.4	Very high	141 Å²	141	61.1 Å²	61.1	61%	0.613	35%	0.348	S	S	*	.			trans	-96.4	170.3	171.4	-62.6	179.1	-178	175	0	111.8	G156 E157	K154-G156 PolarHBondContact O-N 3.09Å; K154-E157 HydrophobicContact CB-CG 4.39Å; K154-E157 PolarHBondContact N-OE2 3.44Å; K154-E157 WeakPolarHBondContact O-CB 3.4Å; K154-E157 PolarHBondContact O-N 3.16Å; K154-E157 VanDerWaalsContact O-N 3.12Å
155	V	92.2	Very high	94.4	Very high	40 Å²	40	61.2 Å²	61.2	24%	0.242	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	129.2	171	-174.2	0	0	0	0	110	L144 E168	L144-V155 HydrophobicContact CD1-CG2 3.79Å; L144-V155 HydrophobicContact CD2-CG2 4.31Å; V155-E168 HydrophobicContact CG1-CB 3.67Å
156	G	88.8	Confident	94.4	Very high	48 Å²	48	56 Å²	56	50%	0.495	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-6.2	-178.3	0	0	0	0	0	114.4	K154 L166	K154-G156 PolarHBondContact O-N 3.09Å; G156-L166 WeakPolarHBondContact CA-O 3.35Å; G156-L166 PolarHBondContact N-O 2.95Å
157	E	91.6	Very high	94.2	Very high	92 Å²	92	56.4 Å²	56.4	43%	0.43	33%	0.325	S	S	.	.			trans	-95.4	159.9	-179.8	-67	176.4	175.5	0	0	112	I153 K154 L166	I153-E157 HydrophobicContact CB-CB 4.12Å; K154-E157 HydrophobicContact CB-CG 4.39Å; K154-E157 PolarHBondContact N-OE2 3.44Å; K154-E157 WeakPolarHBondContact O-CB 3.4Å; K154-E157 PolarHBondContact O-N 3.16Å; K154-E157 VanDerWaalsContact O-N 3.12Å; E157-L166 PolarHBondContact O-N 3.44Å
158	T	94	Very high	94.1	Very high	56 Å²	56	58.8 Å²	58.8	34%	0.344	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-118	137.7	173.9	-57.3	0	0	0	0	108.4	F164 T165	T158-F164 WeakPolarHBondContact CA-O 3.14Å; T158-F164 WeakPolarHBondContact CG2-O 3.45Å; T158-T165 WeakPolarHBondContact CG2-OG1 3.47Å; T158-T165 PolarHBondContact OG1-OG1 2.85Å
159	T	94.9	Very high	94.1	Very high	12 Å²	12	57.3 Å²	57.3	7%	0.074	33%	0.33	C	S	.	.			trans	-57.3	149.1	174.7	41.8	0	0	0	0	111.8	L151 I153 D161 K162 F164	L151-T159 HydrophobicContact CB-CG2 4.13Å; L151-T159 HydrophobicContact CD2-CG2 4.47Å; I153-T159 HydrophobicContact CD1-CG2 4.11Å; I153-T159 HydrophobicContact CG1-CG2 4.44Å; I153-T159 HydrophobicContact CG2-CG2 3.76Å; T159-D161 WeakPolarHBondContact CB-OD1 3.42Å; T159-D161 PolarHBondContact O-N 2.82Å; T159-D161 PolarHBondContact OG1-OD1 2.62Å; T159-K162 WeakPolarHBondContact O-CA 3.45Å; T159-K162 PolarHBondContact O-N 2.88Å; T159-F164 HydrophobicContact CG2-CB 4.05Å; T159-F164 PolarHBondContact N-O 2.91Å; T159-F164 WeakPolarHBondContact OG1-CA 3.33Å; T159-F164 PolarHBondContact OG1-N 3.3Å; T159-F164 PolarHBondContact OG1-O 3.36Å
160	A	93.2	Very high	94.1	Very high	110 Å²	110	57.9 Å²	57.9	91%	0.909	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.4	-175.4	0	0	0	0	0	113.7	K162	A160-K162 PolarHBondContact O-N 3.34Å
161	D	92.6	Very high	94.2	Very high	96 Å²	96	58.3 Å²	58.3	51%	0.513	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-0.7	174.3	61.5	2.2	0	0	0	113.1	T159 M163	T159-D161 WeakPolarHBondContact CB-OD1 3.42Å; T159-D161 PolarHBondContact O-N 2.82Å; T159-D161 PolarHBondContact OG1-OD1 2.62Å; D161-M163 HydrophobicContact CB-CG 4.16Å; D161-M163 PolarHBondContact O-N 3.09Å; D161-M163 WeakPolarHBondContact OD1-CB 3.36Å; D161-M163 PolarHBondContact OD1-N 3.27Å
162	K	93.3	Very high	94.3	Very high	162 Å²	162	58.7 Å²	58.7	70%	0.704	34%	0.341	S	S	*	.	S	Bend	trans	56.8	26.5	-176.2	-54.6	-178.4	179.3	-177.8	0	113	G123 K124 T159 A160	G123-K162 WeakPolarHBondContact CA-O 3.17Å; K124-K162 PolarHBondContact N-O 3.48Å; K124-K162 VanDerWaalsContact N-O 3.14Å; T159-K162 WeakPolarHBondContact O-CA 3.45Å; T159-K162 PolarHBondContact O-N 2.88Å; A160-K162 PolarHBondContact O-N 3.34Å
163	M	94.4	Very high	94.3	Very high	52 Å²	52	58.5 Å²	58.5	26%	0.256	34%	0.339	S	S	.	.			trans	-91.4	-40.5	-178.8	-72.5	-66.7	-68.9	0	0	112.5	K124 Y125 D161	K124-M163 HydrophobicContact CB-SD 4.3Å; K124-M163 HydrophobicContact CD-CE 4.12Å; K124-M163 HydrophobicContact CD-SD 4.21Å; K124-M163 PolarHBondContact N-O 3.29Å; K124-M163 VanDerWaalsContact N-O 3.12Å; Y125-M163 WeakPolarHBondContact CB-O 3.49Å; Y125-M163 HydrophobicContact CD2-CE 4.12Å; Y125-M163 HydrophobicContact CE2-CE 3.7Å; Y125-M163 PolarHBondContact N-O 2.95Å; D161-M163 HydrophobicContact CB-CG 4.16Å; D161-M163 PolarHBondContact O-N 3.09Å; D161-M163 WeakPolarHBondContact OD1-CB 3.36Å; D161-M163 PolarHBondContact OD1-N 3.27Å
164	F	96.6	Very high	94.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.8	-174.7	-60.3	-84.8	0	0	0	112.2	Y125 I127 L151 T158 T159 I200 L203 K204	Y125-F164 HydrophobicContact CD2-CD1 4.2Å; Y125-F164 AromaticContact CD2-CE1 3.67Å; Y125-F164 HydrophobicContact CD2-CE1 3.67Å; Y125-F164 AromaticContact CD2-CZ 3.9Å; Y125-F164 HydrophobicContact CD2-CZ 3.9Å; Y125-F164 HydrophobicContact CG-CD1 4.31Å; Y125-F164 AromaticContact CG-CE1 3.98Å; Y125-F164 HydrophobicContact CG-CE1 3.98Å; Y125-F164 WeakPolarHBondContact O-CA 3.28Å; I127-F164 HydrophobicContact CD1-CB 4.37Å; I127-F164 HydrophobicContact CD1-CD1 3.71Å; I127-F164 HydrophobicContact CD1-CE1 4.5Å; I127-F164 HydrophobicContact CD1-CG 4.41Å; I127-F164 HydrophobicContact CG1-CD1 4.29Å; L151-F164 HydrophobicContact CD1-CB 3.8Å; L151-F164 HydrophobicContact CD1-CG 4.11Å; L151-F164 HydrophobicContact CD2-CB 4.46Å; L151-F164 HydrophobicContact CD2-CD2 3.93Å; L151-F164 HydrophobicContact CD2-CE2 4.4Å; L151-F164 HydrophobicContact CD2-CG 4.14Å; T158-F164 WeakPolarHBondContact CA-O 3.14Å; T158-F164 WeakPolarHBondContact CG2-O 3.45Å; T159-F164 HydrophobicContact CG2-CB 4.05Å; T159-F164 PolarHBondContact N-O 2.91Å; T159-F164 WeakPolarHBondContact OG1-CA 3.33Å; T159-F164 PolarHBondContact OG1-N 3.3Å; T159-F164 PolarHBondContact OG1-O 3.36Å; F164-I200 HydrophobicContact CZ-CG2 4.41Å; F164-L203 HydrophobicContact CE1-CB 4.06Å; F164-L203 HydrophobicContact CE1-CD1 4.17Å; F164-L203 HydrophobicContact CZ-CB 4Å; F164-K204 HydrophobicContact CE2-CD 4.31Å; F164-K204 HydrophobicContact CE2-CG 3.56Å; F164-K204 HydrophobicContact CZ-CG 3.78Å
165	T	95.9	Very high	94.7	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.037	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.4	166	-60.4	0	0	0	0	108.3	V122 G123 Y125 F126 I127 T158	V122-T165 HydrophobicContact CB-CG2 4.46Å; V122-T165 HydrophobicContact CG1-CG2 4.27Å; G123-T165 PolarHBondContact N-OG1 2.98Å; Y125-T165 PolarHBondContact O-N 3.31Å; F126-T165 HydrophobicContact CD2-CG2 3.9Å; F126-T165 HydrophobicContact CE2-CG2 3.85Å; I127-T165 PolarHBondContact N-O 2.74Å; T158-T165 WeakPolarHBondContact CG2-OG1 3.47Å; T158-T165 PolarHBondContact OG1-OG1 2.85Å
166	L	95.9	Very high	95	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.4	177.7	175.5	61.1	0	0	0	109.7	I127 I129 L144 I147 Q148 I153 G156 E157	I127-L166 HydrophobicContact CB-CD1 4.25Å; I127-L166 HydrophobicContact CG2-CD1 3.89Å; I129-L166 HydrophobicContact CG2-CD1 4.04Å; L144-L166 HydrophobicContact CD1-CD1 4.37Å; L144-L166 HydrophobicContact CD1-CD2 3.95Å; L144-L166 HydrophobicContact CD1-CG 4.46Å; I147-L166 HydrophobicContact CD1-CD1 4.4Å; I147-L166 HydrophobicContact CG2-CD1 4.02Å; I147-L166 HydrophobicContact CG2-CD2 3.95Å; I147-L166 HydrophobicContact CG2-CG 4.47Å; Q148-L166 HydrophobicContact CG-CD2 3.82Å; I153-L166 HydrophobicContact CD1-CB 3.69Å; I153-L166 HydrophobicContact CG1-CB 4.45Å; G156-L166 WeakPolarHBondContact CA-O 3.35Å; G156-L166 PolarHBondContact N-O 2.95Å; E157-L166 PolarHBondContact O-N 3.44Å
167	I	94.5	Very high	95.4	Very high	15 Å²	15	55 Å²	55	8%	0.077	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.1	171.5	-169.3	159.5	0	0	0	110.8	A30 F126 I127 Q128 I129 V169	A30-I167 HydrophobicContact CB-CD1 4Å; F126-I167 HydrophobicContact CE1-CG2 3.77Å; F126-I167 HydrophobicContact CE2-CB 4.39Å; F126-I167 HydrophobicContact CE2-CG2 3.85Å; F126-I167 HydrophobicContact CZ-CB 4.17Å; F126-I167 HydrophobicContact CZ-CD1 4.25Å; F126-I167 HydrophobicContact CZ-CG2 3.33Å; I127-I167 WeakPolarHBondContact O-CG2 3.48Å; I127-I167 PolarHBondContact O-N 2.61Å; Q128-I167 WeakPolarHBondContact CA-O 3.33Å; Q128-I167 HydrophobicContact CB-CG2 4.31Å; Q128-I167 HydrophobicContact CG-CG2 3.71Å; I129-I167 WeakPolarHBondContact CG2-O 3.27Å; I129-I167 PolarHBondContact N-O 3.19Å; I167-V169 HydrophobicContact CG2-CG1 3.92Å
168	E	94.3	Very high	95.7	Very high	50 Å²	50	51.2 Å²	51.2	23%	0.234	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.5	169.8	-179	176	-170.2	0	0	108.4	R27 T131 V155	R27-E168 IonicContact CZ-OE2 3.85Å; R27-E168 IonicContact NH1-OE2 3.28Å; R27-E168 PolarHBondContact NH1-OE2 3.21Å; T131-E168 WeakPolarHBondContact CB-OE1 3.31Å; T131-E168 HydrophobicContact CG2-CG 3.77Å; T131-E168 VanDerWaalsContact OG1-CD 3.32Å; T131-E168 WeakPolarHBondContact OG1-CG 3.44Å; T131-E168 PolarHBondContact OG1-OE1 2.67Å; V155-E168 HydrophobicContact CG1-CB 3.67Å
169	V	94.6	Very high	95.8	Very high	23 Å²	23	49.2 Å²	49.2	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	165.2	-179.6	-60.3	0	0	0	0	111.1	Q128 I129 T131 I167 L172	Q128-V169 HydrophobicContact CB-CB 4.47Å; Q128-V169 HydrophobicContact CB-CG1 3.78Å; Q128-V169 HydrophobicContact CB-CG2 3.81Å; Q128-V169 HydrophobicContact CG-CG1 3.93Å; I129-V169 WeakPolarHBondContact O-CG2 3.03Å; I129-V169 PolarHBondContact O-N 3.28Å; T131-V169 PolarHBondContact N-O 3.36Å; I167-V169 HydrophobicContact CG2-CG1 3.92Å; V169-L172 HydrophobicContact CG2-CD1 3.78Å; V169-L172 HydrophobicContact CG2-CD2 4.04Å; V169-L172 HydrophobicContact CG2-CG 3.91Å
170	E	96.2	Very high	95.9	Very high	146 Å²	146	48.8 Å²	48.8	68%	0.682	29%	0.293	S	S	*	.	S	Bend	trans	-76.8	-162.5	175.3	-59.4	-59	152.7	0	0	111.7	T132 L172	T132-E170 HydrophobicContact CG2-CB 4.21Å; T132-E170 WeakPolarHBondContact CG2-OE2 3.47Å; E170-L172 PolarHBondContact O-N 2.98Å
171	C	97.5	Very high	96.1	Very high	72 Å²	72	43.6 Å²	43.6	49%	0.486	25%	0.249	S	C	.	.			trans	-61.8	123.2	-176.5	-177.2	0	0	0	0	111.9	T132 G173 C175	T132-C171 HydrophobicContact CG2-CB 4.1Å; C171-G173 PolarHBondContact SG-N 2.77Å; C171-C175 VanDerWaalsContact SG-SG 3.68Å
172	L	96.8	Very high	96.4	Very high	29 Å²	29	40.2 Å²	40.2	15%	0.152	23%	0.23	C	C	.	.			trans	-95.9	4.1	176.9	-66.9	176	0	0	0	113.7	C130 V169 E170 A174 M180 Q182 Y187	C130-L172 HydrophobicContact CB-CD1 4.3Å; C130-L172 HydrophobicContact CB-CG 4.41Å; V169-L172 HydrophobicContact CG2-CD1 3.78Å; V169-L172 HydrophobicContact CG2-CD2 4.04Å; V169-L172 HydrophobicContact CG2-CG 3.91Å; E170-L172 PolarHBondContact O-N 2.98Å; L172-A174 PolarHBondContact O-N 2.81Å; L172-M180 HydrophobicContact CB-CE 3.81Å; L172-M180 HydrophobicContact CB-SD 3.69Å; L172-M180 HydrophobicContact CD1-CE 3.82Å; L172-M180 HydrophobicContact CD1-SD 3.45Å; L172-M180 WeakPolarHBondContact CD1-SD 3.24Å; L172-M180 HydrophobicContact CG-CE 4.48Å; L172-M180 HydrophobicContact CG-SD 4.12Å; L172-Q182 HydrophobicContact CD1-CB 3.75Å; L172-Y187 WeakPolarHBondContact O-CE2 3.49Å; L172-Y187 PolarHBondContact O-OH 3.37Å
173	G	96.9	Very high	96.6	Very high	63 Å²	63	32.7 Å²	32.7	65%	0.649	20%	0.198	S	C	*	.	S	Bend	trans	82.3	1.9	173.9	0	0	0	0	0	116.3	C171 C175	C171-G173 PolarHBondContact SG-N 2.77Å; G173-C175 PolarHBondContact O-N 3.28Å
174	A	97.4	Very high	96.6	Very high	9 Å²	9	33.3 Å²	33.3	7%	0.074	20%	0.202	C	C	.	.			trans	-99.8	44.8	177.1	0	0	0	0	0	112.5	L172 V176 N177 A178 M180 Y187 E189	L172-A174 PolarHBondContact O-N 2.81Å; A174-V176 PolarHBondContact O-N 3.18Å; A174-N177 HydrophobicContact CB-CB 4.49Å; A174-N177 CarbonylContact O-C 3.5Å; A174-N177 WeakPolarHBondContact O-CA 3.44Å; A174-N177 PolarHBondContact O-N 3Å; A174-A178 PolarHBondContact O-N 3.45Å; A174-M180 HydrophobicContact CB-CE 3.97Å; A174-M180 HydrophobicContact CB-CG 4.06Å; A174-Y187 HydrophobicContact CB-CD2 4.3Å; A174-Y187 HydrophobicContact CB-CE2 4.49Å; A174-E189 WeakPolarHBondContact CB-OE1 3.15Å
175	C	97.8	Very high	96.6	Very high	55 Å²	55	38.1 Å²	38.1	37%	0.372	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-64.5	-36.3	-168.2	-58.8	0	0	0	0	114.1	P134 C171 G173 N177 A178	P134-C175 HydrophobicContact CB-CB 4.32Å; C171-C175 VanDerWaalsContact SG-SG 3.68Å; G173-C175 PolarHBondContact O-N 3.28Å; C175-N177 PolarHBondContact O-N 3.32Å; C175-A178 WeakPolarHBondContact O-CB 3.32Å; C175-A178 PolarHBondContact O-N 3.47Å
176	V	97.7	Very high	96.6	Very high	97 Å²	97	40.1 Å²	40.1	59%	0.588	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-71.4	-16	177.1	-59.5	0	0	0	0	112.1	A174 R217 C220	A174-V176 PolarHBondContact O-N 3.18Å; V176-R217 PolarHBondContact O-NH1 3.45Å; V176-R217 PolarHBondContact O-NH2 3.33Å; V176-C220 HydrophobicContact CG2-CB 3.71Å
177	N	97.8	Very high	96.8	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.048	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-106.1	24.6	177.4	-57.1	95.6	0	0	0	113.2	A174 C175 E189 D190 R217 S219	A174-N177 HydrophobicContact CB-CB 4.49Å; A174-N177 CarbonylContact O-C 3.5Å; A174-N177 WeakPolarHBondContact O-CA 3.44Å; A174-N177 PolarHBondContact O-N 3Å; C175-N177 PolarHBondContact O-N 3.32Å; N177-E189 HydrophobicContact CB-CB 3.57Å; N177-E189 HydrophobicContact CB-CG 4.17Å; N177-E189 WeakPolarHBondContact CB-OE2 3.43Å; N177-E189 VanDerWaalsContact CG-OE2 3.27Å; N177-D190 VanDerWaalsContact C-OD1 3.24Å; N177-D190 WeakPolarHBondContact CA-OD1 3.45Å; N177-D190 PolarHBondContact O-N 2.83Å; N177-R217 PolarHBondContact ND2-NE 2.97Å; N177-R217 PolarHBondContact ND2-NH2 3.33Å; N177-S219 PolarHBondContact ND2-O 2.98Å
178	A	96.9	Very high	96.9	Very high	14 Å²	14	43.2 Å²	43.2	12%	0.116	25%	0.25	C	C	.	.			trans	-69.1	146.5	176.6	0	0	0	0	0	112	C135 C138 A174 C175	C135-A178 HydrophobicContact CB-CB 4.49Å; C138-A178 HydrophobicContact CB-CB 3.84Å; A174-A178 PolarHBondContact O-N 3.45Å; C175-A178 WeakPolarHBondContact O-CB 3.32Å; C175-A178 PolarHBondContact O-N 3.47Å
179	P	97.1	Very high	97.1	Very high	14 Å²	14	42 Å²	42	9%	0.091	24%	0.244	C	C	.	.	S	Bend	cis	-83.6	149.8	-4.6	35.4	-34.8	0	0	0	111.9	I143 D190 L191	I143-P179 HydrophobicContact CD1-CG 4.5Å; I143-P179 HydrophobicContact CG1-CB 4.26Å; I143-P179 HydrophobicContact CG1-CG 4.03Å; P179-D190 PolarHBondContact O-N 2.92Å; P179-L191 WeakPolarHBondContact CG-O 3.33Å; P179-L191 PolarHBondContact O-N 2.75Å
180	M	97.4	Very high	97.2	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	24%	0.243	C	C	.	.			trans	-139.4	157.9	-173.5	67.5	80.8	66.1	0	0	112.6	C130 L172 A174 Y187 Y188 E189	C130-M180 HydrophobicContact CB-SD 3.98Å; L172-M180 HydrophobicContact CB-CE 3.81Å; L172-M180 HydrophobicContact CB-SD 3.69Å; L172-M180 HydrophobicContact CD1-CE 3.82Å; L172-M180 HydrophobicContact CD1-SD 3.45Å; L172-M180 WeakPolarHBondContact CD1-SD 3.24Å; L172-M180 HydrophobicContact CG-CE 4.48Å; L172-M180 HydrophobicContact CG-SD 4.12Å; A174-M180 HydrophobicContact CB-CE 3.97Å; A174-M180 HydrophobicContact CB-CG 4.06Å; M180-Y187 HydrophobicContact CE-CD1 3.86Å; M180-Y187 HydrophobicContact CE-CD2 3.86Å; M180-Y187 HydrophobicContact CE-CE1 4.17Å; M180-Y187 HydrophobicContact CE-CE2 4.16Å; M180-Y187 HydrophobicContact CE-CG 3.69Å; M180-Y188 CarbonylContact C-O 3.39Å; M180-Y188 VanDerWaalsContact CA-O 3.27Å; M180-Y188 WeakPolarHBondContact CA-O 3.19Å; M180-Y188 WeakPolarHBondContact CB-O 3.11Å; M180-E189 HydrophobicContact CB-CB 4.12Å; M180-E189 HydrophobicContact CB-CG 4.24Å
181	V	97.7	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.5	168.8	-52.4	0	0	0	0	110.1	Q128 I129 I143 I147 I183 Y188 L191 I196	Q128-V181 CarbonylContact O-C 3.56Å; Q128-V181 WeakPolarHBondContact O-CA 3.35Å; I129-V181 HydrophobicContact CB-CG1 3.98Å; I129-V181 HydrophobicContact CD1-CG1 4.06Å; I129-V181 HydrophobicContact CG1-CG1 3.97Å; I143-V181 HydrophobicContact CG2-CG1 4.23Å; I147-V181 HydrophobicContact CD1-CG1 4.3Å; V181-I183 HydrophobicContact CG2-CD1 4.37Å; V181-I183 HydrophobicContact CG2-CG1 4.14Å; V181-Y188 HydrophobicContact CG2-CD2 4.46Å; V181-Y188 PolarHBondContact N-O 3.03Å; V181-Y188 PolarHBondContact O-N 3.32Å; V181-L191 HydrophobicContact CB-CD1 4.22Å; V181-L191 HydrophobicContact CG1-CD1 3.89Å; V181-L191 HydrophobicContact CG2-CD1 3.75Å; V181-I196 HydrophobicContact CG2-CD1 3.79Å
182	Q	98.1	Very high	97.3	Very high	25 Å²	25	34.9 Å²	34.9	12%	0.117	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.3	166.7	173.7	179.4	17.6	0	0	109.4	Q128 L172 N184 N186 Y187	Q128-Q182 HydrophobicContact CB-CB 4.17Å; Q128-Q182 PolarHBondContact N-O 3Å; Q128-Q182 PolarHBondContact O-N 3.39Å; L172-Q182 HydrophobicContact CD1-CB 3.75Å; Q182-N184 VanDerWaalsContact CG-O 3.28Å; Q182-N184 WeakPolarHBondContact CG-O 3.49Å; Q182-N184 PolarHBondContact NE2-O 3.4Å; Q182-N186 CarbonylContact C-O 3.32Å; Q182-N186 VanDerWaalsContact CA-O 3.32Å; Q182-N186 WeakPolarHBondContact CA-O 3.48Å; Q182-Y187 HydrophobicContact CB-CD1 3.79Å; Q182-Y187 HydrophobicContact CB-CE1 3.86Å; Q182-Y187 HydrophobicContact CG-CD1 3.88Å; Q182-Y187 HydrophobicContact CG-CE1 3.83Å
183	I	97.3	Very high	97.3	Very high	5 Å²	5	36 Å²	36	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	111.7	171	-50.8	178.6	0	0	0	107.7	Y125 F126 I127 V181 D185 N186 Y188 I199 L203	Y125-I183 HydrophobicContact CD1-CG2 4.07Å; Y125-I183 HydrophobicContact CG-CG2 4.41Å; F126-I183 WeakPolarHBondContact O-CA 3.39Å; I127-I183 HydrophobicContact CG1-CD1 4.33Å; I127-I183 HydrophobicContact CG1-CG1 4.17Å; I127-I183 HydrophobicContact CG1-CG2 4.47Å; V181-I183 HydrophobicContact CG2-CD1 4.37Å; V181-I183 HydrophobicContact CG2-CG1 4.14Å; I183-D185 PolarHBondContact O-N 3.14Å; I183-D185 VanDerWaalsContact O-N 3.12Å; I183-N186 PolarHBondContact N-O 3.39Å; I183-N186 PolarHBondContact O-N 2.88Å; I183-Y188 HydrophobicContact CB-CD2 4.29Å; I183-Y188 HydrophobicContact CB-CE2 3.92Å; I183-Y188 HydrophobicContact CD1-CD2 3.83Å; I183-Y188 HydrophobicContact CD1-CE2 3.82Å; I183-Y188 HydrophobicContact CG1-CD2 3.89Å; I183-Y188 HydrophobicContact CG1-CE2 3.96Å; I183-I199 HydrophobicContact CD1-CG2 3.72Å; I183-L203 HydrophobicContact CD1-CD1 3.57Å; I183-L203 HydrophobicContact CG2-CD1 4.16Å
184	N	94.9	Very high	97.3	Very high	64 Å²	64	40.4 Å²	40.4	34%	0.342	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-112.9	-169.8	-59.6	-17.7	0	0	0	110.7	K124 F126 Q182	K124-N184 PolarHBondContact O-ND2 3.06Å; F126-N184 PolarHBondContact N-OD1 3.04Å; F126-N184 PolarHBondContact O-N 3.07Å; F126-N184 VanDerWaalsContact O-N 3.17Å; Q182-N184 VanDerWaalsContact CG-O 3.28Å; Q182-N184 WeakPolarHBondContact CG-O 3.49Å; Q182-N184 PolarHBondContact NE2-O 3.4Å
185	D	95.4	Very high	97.3	Very high	101 Å²	101	41.5 Å²	41.5	54%	0.54	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.4	-179.5	-68.6	-51.2	0	0	0	113.6	R83 I183	R83-D185 IonicContact CZ-OD1 2.67Å; R83-D185 IonicContact CZ-OD2 3.68Å; R83-D185 IonicContact NH1-OD1 3.96Å; R83-D185 PolarHBondContact NH1-OD1 2.8Å; R83-D185 IonicContact NH1-OD2 3.89Å; R83-D185 PolarHBondContact NH1-OD2 3.03Å; R83-D185 IonicContact NH2-OD1 3.63Å; R83-D185 PolarHBondContact NH2-OD1 3.08Å; R83-D185 IonicContact NH2-OD2 2.96Å; I183-D185 PolarHBondContact O-N 3.14Å; I183-D185 VanDerWaalsContact O-N 3.12Å
186	N	97.5	Very high	97.2	Very high	49 Å²	49	38.9 Å²	38.9	26%	0.262	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.4	-168.6	-70.9	-28.2	0	0	0	112.6	Q182 I183 Y188 P211	Q182-N186 CarbonylContact C-O 3.32Å; Q182-N186 VanDerWaalsContact CA-O 3.32Å; Q182-N186 WeakPolarHBondContact CA-O 3.48Å; I183-N186 PolarHBondContact N-O 3.39Å; I183-N186 PolarHBondContact O-N 2.88Å; N186-Y188 HydrophobicContact CB-CE2 3.85Å; N186-P211 HydrophobicContact CB-CB 4.02Å
187	Y	98.2	Very high	97.1	Very high	78 Å²	78	37.9 Å²	37.9	31%	0.306	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.1	167.8	-71.7	0.1	0	0	0	110.7	L172 A174 M180 Q182 P211 G212	L172-Y187 WeakPolarHBondContact O-CE2 3.49Å; L172-Y187 PolarHBondContact O-OH 3.37Å; A174-Y187 HydrophobicContact CB-CD2 4.3Å; A174-Y187 HydrophobicContact CB-CE2 4.49Å; M180-Y187 HydrophobicContact CE-CD1 3.86Å; M180-Y187 HydrophobicContact CE-CD2 3.86Å; M180-Y187 HydrophobicContact CE-CE1 4.17Å; M180-Y187 HydrophobicContact CE-CE2 4.16Å; M180-Y187 HydrophobicContact CE-CG 3.69Å; Q182-Y187 HydrophobicContact CB-CD1 3.79Å; Q182-Y187 HydrophobicContact CB-CE1 3.86Å; Q182-Y187 HydrophobicContact CG-CD1 3.88Å; Q182-Y187 HydrophobicContact CG-CE1 3.83Å; Y187-P211 CarbonylContact O-C 3.59Å; Y187-P211 WeakPolarHBondContact O-CA 3.36Å; Y187-G212 PolarHBondContact O-N 3.16Å
188	Y	98.1	Very high	97.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.6	169.9	-62.6	-73.2	0	0	0	107.5	M180 V181 I183 N186 L191 I199 P209 P210 R214	M180-Y188 CarbonylContact C-O 3.39Å; M180-Y188 VanDerWaalsContact CA-O 3.27Å; M180-Y188 WeakPolarHBondContact CA-O 3.19Å; M180-Y188 WeakPolarHBondContact CB-O 3.11Å; V181-Y188 HydrophobicContact CG2-CD2 4.46Å; V181-Y188 PolarHBondContact N-O 3.03Å; V181-Y188 PolarHBondContact O-N 3.32Å; I183-Y188 HydrophobicContact CB-CD2 4.29Å; I183-Y188 HydrophobicContact CB-CE2 3.92Å; I183-Y188 HydrophobicContact CD1-CD2 3.83Å; I183-Y188 HydrophobicContact CD1-CE2 3.82Å; I183-Y188 HydrophobicContact CG1-CD2 3.89Å; I183-Y188 HydrophobicContact CG1-CE2 3.96Å; N186-Y188 HydrophobicContact CB-CE2 3.85Å; Y188-L191 WeakPolarHBondContact O-CD1 3.48Å; Y188-I199 HydrophobicContact CD1-CD1 3.89Å; Y188-I199 HydrophobicContact CD1-CG1 4.48Å; Y188-I199 HydrophobicContact CD2-CG2 4.44Å; Y188-I199 HydrophobicContact CE2-CG2 4.42Å; Y188-I199 HydrophobicContact CG-CD1 3.88Å; Y188-P209 HydrophobicContact CE1-CB 4.22Å; Y188-P209 HydrophobicContact CE1-CG 3.81Å; Y188-P209 WeakPolarHBondContact CE1-O 3.27Å; Y188-P209 WeakPolarHBondContact OH-CG 3.46Å; Y188-P209 PolarHBondContact OH-O 3.42Å; Y188-P210 VanDerWaalsContact CE1-O 3.3Å; Y188-P210 WeakPolarHBondContact CE1-O 3.33Å; Y188-R214 VanDerWaalsContact CD1-NH2 3.35Å; Y188-R214 VanDerWaalsContact CE1-NH2 3.32Å
189	E	98	Very high	97.1	Very high	24 Å²	24	41.3 Å²	41.3	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	168.6	-163.3	-39.3	176.1	150.9	0	0	111.2	A174 N177 M180 L191 G212 P213 R214	A174-E189 WeakPolarHBondContact CB-OE1 3.15Å; N177-E189 HydrophobicContact CB-CB 3.57Å; N177-E189 HydrophobicContact CB-CG 4.17Å; N177-E189 WeakPolarHBondContact CB-OE2 3.43Å; N177-E189 VanDerWaalsContact CG-OE2 3.27Å; M180-E189 HydrophobicContact CB-CB 4.12Å; M180-E189 HydrophobicContact CB-CG 4.24Å; E189-L191 VanDerWaalsContact C-N 3.26Å; E189-L191 PolarHBondContact O-N 2.98Å; E189-G212 PolarHBondContact N-O 3.35Å; E189-P213 CarbonylContact O-C 3.37Å; E189-P213 WeakPolarHBondContact O-CA 3.34Å; E189-R214 PolarHBondContact O-N 3.02Å
190	D	97.4	Very high	97.1	Very high	20 Å²	20	40.6 Å²	40.6	11%	0.107	20%	0.202	C	C	.	.	S	Bend	trans	49.7	45.1	-174.6	-66	-17.3	0	0	0	113.8	N177 P179 P213 S215 R217	N177-D190 VanDerWaalsContact C-OD1 3.24Å; N177-D190 WeakPolarHBondContact CA-OD1 3.45Å; N177-D190 PolarHBondContact O-N 2.83Å; P179-D190 PolarHBondContact O-N 2.92Å; D190-P213 HydrophobicContact CB-CB 4.38Å; D190-S215 PolarHBondContact OD2-OG 3.45Å; D190-R217 IonicContact OD1-CZ 3.61Å; D190-R217 IonicContact OD1-NE 3.55Å; D190-R217 IonicContact OD1-NH2 3.38Å; D190-R217 PolarHBondContact OD1-NH2 2.67Å; D190-R217 IonicContact OD2-CZ 3.88Å; D190-R217 VanDerWaalsContact OD2-CZ 3.27Å; D190-R217 IonicContact OD2-NE 3.15Å; D190-R217 PolarHBondContact OD2-NE 3.32Å; D190-R217 IonicContact OD2-NH2 3.32Å; D190-R217 PolarHBondContact OD2-NH2 3.15Å
191	L	97.2	Very high	97	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	22%	0.22	C	C	.	.			trans	-80	140	-169.1	-64	175.2	0	0	0	112.6	I143 P179 V181 Y188 E189 D195 I196 I199 R214	I143-L191 HydrophobicContact CD1-CB 4.18Å; I143-L191 WeakPolarHBondContact CD1-O 3.2Å; P179-L191 WeakPolarHBondContact CG-O 3.33Å; P179-L191 PolarHBondContact O-N 2.75Å; V181-L191 HydrophobicContact CB-CD1 4.22Å; V181-L191 HydrophobicContact CG1-CD1 3.89Å; V181-L191 HydrophobicContact CG2-CD1 3.75Å; Y188-L191 WeakPolarHBondContact O-CD1 3.48Å; E189-L191 VanDerWaalsContact C-N 3.26Å; E189-L191 PolarHBondContact O-N 2.98Å; L191-D195 HydrophobicContact CD2-CB 4.16Å; L191-I196 HydrophobicContact CD1-CD1 4.41Å; L191-I199 HydrophobicContact CD2-CD1 3.77Å; L191-R214 HydrophobicContact CD2-CB 4.3Å; L191-R214 HydrophobicContact CD2-CG 3.62Å
192	T	97.3	Very high	96.9	Very high	65 Å²	65	45.8 Å²	45.8	40%	0.399	23%	0.229	S	C	.	.			trans	-103.9	162.7	157.4	73.8	0	0	0	0	110.5	K194 D195 I196	T192-K194 PolarHBondContact O-N 3.48Å; T192-K194 VanDerWaalsContact O-N 3.15Å; T192-D195 VanDerWaalsContact CB-OD2 3.3Å; T192-D195 WeakPolarHBondContact CB-OD2 3.24Å; T192-D195 WeakPolarHBondContact CG2-OD2 3.38Å; T192-D195 PolarHBondContact N-OD2 3.3Å; T192-D195 PolarHBondContact O-N 3.37Å; T192-D195 PolarHBondContact OG1-N 3.5Å; T192-D195 PolarHBondContact OG1-OD2 3.44Å; T192-I196 PolarHBondContact O-N 3.22Å
193	P	97.1	Very high	96.8	Very high	52 Å²	52	44.8 Å²	44.8	34%	0.338	22%	0.224	S	C	.	.	H	α-helix	trans	-52.9	-34.9	174.6	-31.1	38.1	0	0	0	113.5	I143 A146 I196 E197	I143-P193 HydrophobicContact CD1-CG 4.01Å; I143-P193 VanDerWaalsContact CD1-N 3.34Å; A146-P193 HydrophobicContact CB-CB 3.93Å; P193-I196 WeakPolarHBondContact O-CG2 3.27Å; P193-E197 WeakPolarHBondContact O-CG 3.32Å; P193-E197 PolarHBondContact O-N 3Å
194	K	97.1	Very high	96.7	Very high	156 Å²	156	49.2 Å²	49.2	68%	0.678	24%	0.243	S	C	*	.	H	α-helix	trans	-68	-41.2	177.5	-175.8	-176	173.9	-170.7	0	111.9	T192 E197 Q198	T192-K194 PolarHBondContact O-N 3.48Å; T192-K194 VanDerWaalsContact O-N 3.15Å; K194-E197 PolarHBondContact O-N 3.28Å; K194-Q198 PolarHBondContact O-N 2.97Å
195	D	96.7	Very high	96.7	Very high	32 Å²	32	49 Å²	49	17%	0.171	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-40.7	-177.9	-55.8	-44.3	0	0	0	111	L191 T192 Q198 I199 R214	L191-D195 HydrophobicContact CD2-CB 4.16Å; T192-D195 VanDerWaalsContact CB-OD2 3.3Å; T192-D195 WeakPolarHBondContact CB-OD2 3.24Å; T192-D195 WeakPolarHBondContact CG2-OD2 3.38Å; T192-D195 PolarHBondContact N-OD2 3.3Å; T192-D195 PolarHBondContact O-N 3.37Å; T192-D195 PolarHBondContact OG1-N 3.5Å; T192-D195 PolarHBondContact OG1-OD2 3.44Å; D195-Q198 PolarHBondContact O-N 3.28Å; D195-I199 VanDerWaalsContact O-CG1 3.25Å; D195-I199 WeakPolarHBondContact O-CG1 3.43Å; D195-I199 PolarHBondContact O-N 2.88Å; D195-R214 HydrophobicContact CB-CB 4.19Å; D195-R214 HydrophobicContact CB-CG 4.12Å
196	I	96.5	Very high	96.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68	-36.4	177.9	-168.3	58.2	0	0	0	112.2	I143 A146 I147 V181 L191 T192 P193 Q198 I199 I200	I143-I196 HydrophobicContact CG2-CB 4.13Å; I143-I196 HydrophobicContact CG2-CG1 4.2Å; I143-I196 HydrophobicContact CG2-CG2 3.95Å; A146-I196 HydrophobicContact CB-CG2 4.1Å; I147-I196 HydrophobicContact CD1-CD1 4.42Å; I147-I196 HydrophobicContact CD1-CG1 3.89Å; I147-I196 HydrophobicContact CG1-CD1 4.43Å; I147-I196 HydrophobicContact CG1-CG1 3.52Å; I147-I196 HydrophobicContact CG1-CG2 4.38Å; V181-I196 HydrophobicContact CG2-CD1 3.79Å; L191-I196 HydrophobicContact CD1-CD1 4.41Å; T192-I196 PolarHBondContact O-N 3.22Å; P193-I196 WeakPolarHBondContact O-CG2 3.27Å; I196-Q198 VanDerWaalsContact C-N 3.33Å; I196-Q198 PolarHBondContact O-N 3.49Å; I196-I199 HydrophobicContact CD1-CB 4.38Å; I196-I199 HydrophobicContact CD1-CD1 4.39Å; I196-I199 HydrophobicContact CD1-CG2 4.4Å; I196-I199 PolarHBondContact O-N 2.91Å; I196-I200 HydrophobicContact CG1-CD1 4.22Å; I196-I200 VanDerWaalsContact O-CG1 3.29Å; I196-I200 WeakPolarHBondContact O-CG1 3.4Å; I196-I200 PolarHBondContact O-N 3.28Å
197	E	96.6	Very high	96.4	Very high	75 Å²	75	51.9 Å²	51.9	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-43	173	-75.4	178.7	-168	0	0	111.5	K150 P193 K194 I200 D201	K150-E197 HydrophobicContact CD-CG 4.25Å; K150-E197 HydrophobicContact CG-CG 4.43Å; P193-E197 WeakPolarHBondContact O-CG 3.32Å; P193-E197 PolarHBondContact O-N 3Å; K194-E197 PolarHBondContact O-N 3.28Å; E197-I200 PolarHBondContact O-N 3.07Å; E197-D201 PolarHBondContact O-N 2.95Å
198	Q	96.8	Very high	96.2	Very high	93 Å²	93	52.8 Å²	52.8	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-44.7	175.7	-178.9	178.6	-14	0	0	111.7	K194 D195 I196 I200 D201 E202	K194-Q198 PolarHBondContact O-N 2.97Å; D195-Q198 PolarHBondContact O-N 3.28Å; I196-Q198 VanDerWaalsContact C-N 3.33Å; I196-Q198 PolarHBondContact O-N 3.49Å; Q198-I200 VanDerWaalsContact C-N 3.31Å; Q198-I200 PolarHBondContact O-N 2.72Å; Q198-D201 PolarHBondContact O-N 3.26Å; Q198-E202 HydrophobicContact CG-CG 4.49Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.37Å; Q198-E202 PolarHBondContact NE2-OE1 3.15Å; Q198-E202 WeakPolarHBondContact O-CG 3.47Å; Q198-E202 PolarHBondContact O-N 3.32Å
199	I	97	Very high	95.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-45.8	176.3	-71.2	164.8	0	0	0	110.3	I183 Y188 L191 D195 I196 D201 E202 L203 P209 R214	I183-I199 HydrophobicContact CD1-CG2 3.72Å; Y188-I199 HydrophobicContact CD1-CD1 3.89Å; Y188-I199 HydrophobicContact CD1-CG1 4.48Å; Y188-I199 HydrophobicContact CD2-CG2 4.44Å; Y188-I199 HydrophobicContact CE2-CG2 4.42Å; Y188-I199 HydrophobicContact CG-CD1 3.88Å; L191-I199 HydrophobicContact CD2-CD1 3.77Å; D195-I199 VanDerWaalsContact O-CG1 3.25Å; D195-I199 WeakPolarHBondContact O-CG1 3.43Å; D195-I199 PolarHBondContact O-N 2.88Å; I196-I199 HydrophobicContact CD1-CB 4.38Å; I196-I199 HydrophobicContact CD1-CD1 4.39Å; I196-I199 HydrophobicContact CD1-CG2 4.4Å; I196-I199 PolarHBondContact O-N 2.91Å; I199-D201 PolarHBondContact O-N 3.4Å; I199-E202 PolarHBondContact O-N 3.03Å; I199-L203 HydrophobicContact CG2-CD1 3.84Å; I199-L203 HydrophobicContact CG2-CG 4.4Å; I199-L203 WeakPolarHBondContact O-CB 3.49Å; I199-L203 WeakPolarHBondContact O-CG 3.26Å; I199-L203 PolarHBondContact O-N 3.36Å; I199-P209 HydrophobicContact CB-CG 4.47Å; I199-P209 HydrophobicContact CG1-CG 4.4Å; I199-P209 HydrophobicContact CG2-CG 3.96Å; I199-R214 HydrophobicContact CD1-CG 4.47Å
200	I	96.2	Very high	95.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-43.1	178.1	-70.2	166.1	0	0	0	111.1	I147 K150 L151 F164 I196 E197 Q198 L203 K204	I147-I200 HydrophobicContact CB-CD1 4.48Å; I147-I200 HydrophobicContact CG1-CD1 4.2Å; I147-I200 HydrophobicContact CG2-CD1 4.2Å; K150-I200 HydrophobicContact CB-CD1 4.43Å; K150-I200 HydrophobicContact CG-CD1 4.19Å; K150-I200 HydrophobicContact CG-CG2 4.06Å; L151-I200 HydrophobicContact CD1-CD1 4.5Å; L151-I200 HydrophobicContact CD2-CG2 3.7Å; L151-I200 HydrophobicContact CG-CD1 4.34Å; F164-I200 HydrophobicContact CZ-CG2 4.41Å; I196-I200 HydrophobicContact CG1-CD1 4.22Å; I196-I200 VanDerWaalsContact O-CG1 3.29Å; I196-I200 WeakPolarHBondContact O-CG1 3.4Å; I196-I200 PolarHBondContact O-N 3.28Å; E197-I200 PolarHBondContact O-N 3.07Å; Q198-I200 VanDerWaalsContact C-N 3.31Å; Q198-I200 PolarHBondContact O-N 2.72Å; I200-L203 PolarHBondContact O-N 3.35Å; I200-K204 HydrophobicContact CG2-CD 4.22Å; I200-K204 WeakPolarHBondContact O-CB 3.31Å; I200-K204 WeakPolarHBondContact O-CG 3.38Å; I200-K204 PolarHBondContact O-N 3.16Å
201	D	96.7	Very high	95.7	Very high	71 Å²	71	58.7 Å²	58.7	38%	0.38	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-39	179.4	-72.7	-22.4	0	0	0	112.1	K150 E197 Q198 I199 K204 A205	K150-D201 WeakPolarHBondContact CE-OD1 3.43Å; K150-D201 IonicContact NZ-OD1 3.18Å; K150-D201 PolarHBondContact NZ-OD1 3.02Å; K150-D201 IonicContact NZ-OD2 2.81Å; K150-D201 PolarHBondContact NZ-OD2 3.42Å; E197-D201 PolarHBondContact O-N 2.95Å; Q198-D201 PolarHBondContact O-N 3.26Å; I199-D201 PolarHBondContact O-N 3.4Å; D201-K204 PolarHBondContact O-N 3.37Å; D201-A205 WeakPolarHBondContact O-CB 3.33Å; D201-A205 PolarHBondContact O-N 3.47Å
202	E	96	Very high	95.6	Very high	41 Å²	41	59.2 Å²	59.2	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-41.8	174.8	-72.9	-178	-154.8	0	0	112.1	Q198 I199 A205 G206 R207 P209	Q198-E202 HydrophobicContact CG-CG 4.49Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.37Å; Q198-E202 PolarHBondContact NE2-OE1 3.15Å; Q198-E202 WeakPolarHBondContact O-CG 3.47Å; Q198-E202 PolarHBondContact O-N 3.32Å; I199-E202 PolarHBondContact O-N 3.03Å; E202-A205 CarbonylContact O-C 3.43Å; E202-A205 WeakPolarHBondContact O-CA 3.38Å; E202-A205 WeakPolarHBondContact O-CB 3.4Å; E202-A205 PolarHBondContact O-N 3.32Å; E202-A205 VanDerWaalsContact O-N 3.15Å; E202-G206 PolarHBondContact O-N 3.2Å; E202-R207 CarbonylContact C-O 3.49Å; E202-R207 HydrophobicContact CB-CB 4.46Å; E202-R207 PolarHBondContact O-N 3.16Å; E202-R207 VanDerWaalsContact O-O 3.1Å; E202-P209 WeakPolarHBondContact OE2-CB 3.12Å
203	L	95.8	Very high	95.6	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-39.3	175.2	-70.4	171.8	0	0	0	112	Y125 F164 I183 I199 I200 A205 G206 R207 P209	Y125-L203 HydrophobicContact CD1-CD2 4.05Å; Y125-L203 HydrophobicContact CD2-CB 4.39Å; Y125-L203 HydrophobicContact CE1-CD2 3.65Å; Y125-L203 HydrophobicContact CE2-CB 4.16Å; F164-L203 HydrophobicContact CE1-CB 4.06Å; F164-L203 HydrophobicContact CE1-CD1 4.17Å; F164-L203 HydrophobicContact CZ-CB 4Å; I183-L203 HydrophobicContact CD1-CD1 3.57Å; I183-L203 HydrophobicContact CG2-CD1 4.16Å; I199-L203 HydrophobicContact CG2-CD1 3.84Å; I199-L203 HydrophobicContact CG2-CG 4.4Å; I199-L203 WeakPolarHBondContact O-CB 3.49Å; I199-L203 WeakPolarHBondContact O-CG 3.26Å; I199-L203 PolarHBondContact O-N 3.36Å; I200-L203 PolarHBondContact O-N 3.35Å; L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 3.34Å; L203-G206 PolarHBondContact O-N 2.99Å; L203-R207 WeakPolarHBondContact CA-O 3.49Å; L203-P209 HydrophobicContact CD2-CG 4.37Å; L203-P209 HydrophobicContact CG-CG 4.35Å
204	K	94.2	Very high	95.5	Very high	98 Å²	98	58 Å²	58	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-36.6	172.3	-78.7	177.9	178.7	-179.3	0	112.1	F164 I200 D201 G206	F164-K204 HydrophobicContact CE2-CD 4.31Å; F164-K204 HydrophobicContact CE2-CG 3.56Å; F164-K204 HydrophobicContact CZ-CG 3.78Å; I200-K204 HydrophobicContact CG2-CD 4.22Å; I200-K204 WeakPolarHBondContact O-CB 3.31Å; I200-K204 WeakPolarHBondContact O-CG 3.38Å; I200-K204 PolarHBondContact O-N 3.16Å; D201-K204 PolarHBondContact O-N 3.37Å; K204-G206 PolarHBondContact O-N 3.04Å
205	A	94.9	Very high	95.3	Very high	60 Å²	60	53.1 Å²	53.1	50%	0.496	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	0.9	173.9	0	0	0	0	0	113.5	D201 E202 L203 R207	D201-A205 WeakPolarHBondContact O-CB 3.33Å; D201-A205 PolarHBondContact O-N 3.47Å; E202-A205 CarbonylContact O-C 3.43Å; E202-A205 WeakPolarHBondContact O-CA 3.38Å; E202-A205 WeakPolarHBondContact O-CB 3.4Å; E202-A205 PolarHBondContact O-N 3.32Å; E202-A205 VanDerWaalsContact O-N 3.15Å; L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 3.34Å; A205-R207 VanDerWaalsContact C-N 3.27Å; A205-R207 PolarHBondContact O-N 3.1Å
206	G	93.3	Very high	95.1	Very high	53 Å²	53	55.5 Å²	55.5	55%	0.546	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	10.1	-179.8	0	0	0	0	0	114.3	E202 L203 K204	E202-G206 PolarHBondContact O-N 3.2Å; L203-G206 PolarHBondContact O-N 2.99Å; K204-G206 PolarHBondContact O-N 3.04Å
207	R	94.4	Very high	95	Very high	157 Å²	157	57.3 Å²	57.3	59%	0.592	34%	0.338	S	S	*	.			trans	-89.6	137.9	173.3	-65.6	-173.2	-69.8	-118.4	0.2	109.2	E202 L203 A205 P209	E202-R207 CarbonylContact C-O 3.49Å; E202-R207 HydrophobicContact CB-CB 4.46Å; E202-R207 PolarHBondContact O-N 3.16Å; E202-R207 VanDerWaalsContact O-O 3.1Å; L203-R207 WeakPolarHBondContact CA-O 3.49Å; A205-R207 VanDerWaalsContact C-N 3.27Å; A205-R207 PolarHBondContact O-N 3.1Å; R207-P209 WeakPolarHBondContact O-CD 3.37Å
208	V	92.6	Very high	94.9	Very high	98 Å²	98	62.7 Å²	62.7	59%	0.594	36%	0.361	S	S	*	.			trans	-94.1	109.8	173.1	-178.1	0	0	0	0	107.4
209	P	92.6	Very high	94.9	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.013	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-72.2	150.9	-179.4	29	-30.4	0	0	0	109.9	Y188 I199 E202 L203 R207	Y188-P209 HydrophobicContact CE1-CB 4.22Å; Y188-P209 HydrophobicContact CE1-CG 3.81Å; Y188-P209 WeakPolarHBondContact CE1-O 3.27Å; Y188-P209 WeakPolarHBondContact OH-CG 3.46Å; Y188-P209 PolarHBondContact OH-O 3.42Å; I199-P209 HydrophobicContact CB-CG 4.47Å; I199-P209 HydrophobicContact CG1-CG 4.4Å; I199-P209 HydrophobicContact CG2-CG 3.96Å; E202-P209 WeakPolarHBondContact OE2-CB 3.12Å; L203-P209 HydrophobicContact CD2-CG 4.37Å; L203-P209 HydrophobicContact CG-CG 4.35Å; R207-P209 WeakPolarHBondContact O-CD 3.37Å
210	P	93.9	Very high	94.9	Very high	86 Å²	86	65.2 Å²	65.2	56%	0.558	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-63.3	133.4	-174.3	25.1	-34.1	0	0	0	110.8	Y188 R214	Y188-P210 VanDerWaalsContact CE1-O 3.3Å; Y188-P210 WeakPolarHBondContact CE1-O 3.33Å; P210-R214 PolarHBondContact O-NH2 2.94Å
211	P	96.4	Very high	94.9	Very high	81 Å²	81	66.7 Å²	66.7	53%	0.526	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-71.9	148.2	175.6	30.1	-33.9	0	0	0	111.2	N186 Y187	N186-P211 HydrophobicContact CB-CB 4.02Å; Y187-P211 CarbonylContact O-C 3.59Å; Y187-P211 WeakPolarHBondContact O-CA 3.36Å
212	G	95.4	Very high	94.9	Very high	18 Å²	18	66 Å²	66	19%	0.186	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	126	-168.8	179.1	0	0	0	0	0	114.1	Y187 E189	Y187-G212 PolarHBondContact O-N 3.16Å; E189-G212 PolarHBondContact N-O 3.35Å
213	P	96.8	Very high	94.8	Very high	25 Å²	25	67.5 Å²	67.5	16%	0.162	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	142.7	177.7	-22.1	33.7	0	0	0	113.1	E189 D190 R217 F218 S219	E189-P213 CarbonylContact O-C 3.37Å; E189-P213 WeakPolarHBondContact O-CA 3.34Å; D190-P213 HydrophobicContact CB-CB 4.38Å; P213-R217 HydrophobicContact CB-CG 4.23Å; P213-R217 HydrophobicContact CG-CG 4.42Å; P213-F218 VanDerWaalsContact CD-O 3.3Å; P213-F218 WeakPolarHBondContact CD-O 3.21Å; P213-S219 WeakPolarHBondContact CG-O 3.26Å
214	R	95.5	Very high	94.8	Very high	67 Å²	67	75.7 Å²	75.7	25%	0.253	46%	0.458	S	S	.	.	S	Bend	trans	-95.2	-4.8	171.9	-67.5	-64.5	178.9	-168.4	-15.5	114.1	Y188 E189 L191 D195 I199 P210	Y188-R214 VanDerWaalsContact CD1-NH2 3.35Å; Y188-R214 VanDerWaalsContact CE1-NH2 3.32Å; E189-R214 PolarHBondContact O-N 3.02Å; L191-R214 HydrophobicContact CD2-CB 4.3Å; L191-R214 HydrophobicContact CD2-CG 3.62Å; D195-R214 HydrophobicContact CB-CB 4.19Å; D195-R214 HydrophobicContact CB-CG 4.12Å; I199-R214 HydrophobicContact CD1-CG 4.47Å; P210-R214 PolarHBondContact O-NH2 2.94Å
215	S	93.1	Very high	94.8	Very high	53 Å²	53	72.7 Å²	72.7	37%	0.371	45%	0.454	S	S	.	.	S	Bend	trans	-79.7	-170.6	173.4	71	0	0	0	0	111.5	D190 R217	D190-S215 PolarHBondContact OD2-OG 3.45Å; S215-R217 VanDerWaalsContact C-N 3.27Å; S215-R217 PolarHBondContact O-N 3.42Å; S215-R217 WeakPolarHBondContact OG-CG 3.24Å
216	G	92.3	Very high	94.8	Very high	83 Å²	83	75 Å²	75	86%	0.856	46%	0.458	S	S	*	.	S	Bend	trans	-77.8	-3.1	179.2	0	0	0	0	0	115.3
217	R	94.6	Very high	95	Very high	38 Å²	38	77.9 Å²	77.9	14%	0.143	47%	0.465	C	S	.	.			trans	-95.5	159.9	177.3	76.3	-177.1	160.5	173.4	-5.4	111.5	V176 N177 D190 P213 S215 E221	V176-R217 PolarHBondContact O-NH1 3.45Å; V176-R217 PolarHBondContact O-NH2 3.33Å; N177-R217 PolarHBondContact ND2-NE 2.97Å; N177-R217 PolarHBondContact ND2-NH2 3.33Å; D190-R217 IonicContact OD1-CZ 3.61Å; D190-R217 IonicContact OD1-NE 3.55Å; D190-R217 IonicContact OD1-NH2 3.38Å; D190-R217 PolarHBondContact OD1-NH2 2.67Å; D190-R217 IonicContact OD2-CZ 3.88Å; D190-R217 VanDerWaalsContact OD2-CZ 3.27Å; D190-R217 IonicContact OD2-NE 3.15Å; D190-R217 PolarHBondContact OD2-NE 3.32Å; D190-R217 IonicContact OD2-NH2 3.32Å; D190-R217 PolarHBondContact OD2-NH2 3.15Å; P213-R217 HydrophobicContact CB-CG 4.23Å; P213-R217 HydrophobicContact CG-CG 4.42Å; S215-R217 VanDerWaalsContact C-N 3.27Å; S215-R217 PolarHBondContact O-N 3.42Å; S215-R217 WeakPolarHBondContact OG-CG 3.24Å; R217-E221 HydrophobicContact CB-CG 4.15Å; R217-E221 WeakPolarHBondContact CB-OE1 3.37Å; R217-E221 WeakPolarHBondContact CD-O 3.36Å; R217-E221 PolarHBondContact NH1-O 3.01Å
218	F	94.8	Very high	95.1	Very high	187 Å²	187	73.9 Å²	73.9	82%	0.82	46%	0.461	S	S	*	.	S	Bend	trans	-89	-40.8	-176.9	-63.8	-75	0	0	0	113.5	P213 E221	P213-F218 VanDerWaalsContact CD-O 3.3Å; P213-F218 WeakPolarHBondContact CD-O 3.21Å; F218-E221 WeakPolarHBondContact CB-OE1 3.39Å; F218-E221 WeakPolarHBondContact CD2-OE1 3.42Å; F218-E221 PolarHBondContact N-OE1 3.28Å
219	S	96.1	Very high	95.4	Very high	63 Å²	63	76.9 Å²	76.9	44%	0.441	47%	0.473	S	S	.	.	S	Bend	trans	-141.5	-114.1	-175.2	63.1	0	0	0	0	110.3	N177 P213 E221	N177-S219 PolarHBondContact ND2-O 2.98Å; P213-S219 WeakPolarHBondContact CG-O 3.26Å; S219-E221 VanDerWaalsContact C-OE2 3.3Å; S219-E221 WeakPolarHBondContact CA-OE2 3.41Å; S219-E221 PolarHBondContact N-OE2 3.26Å; S219-E221 PolarHBondContact OG-OE2 3.06Å
220	C	97.2	Very high	95.6	Very high	85 Å²	85	81.6 Å²	81.6	57%	0.574	50%	0.502	S	S	*	.	S	Bend	trans	-108.4	8.8	-176.7	63.5	0	0	0	0	114	V176	V176-C220 HydrophobicContact CG2-CB 3.71Å
221	E	96.8	Very high	95.7	Very high	31 Å²	31	85.2 Å²	85.2	15%	0.145	51%	0.511	C	S	.	.	S	Bend	trans	-65.2	160.4	177.9	71.5	-85.9	-160.6	0	0	112.1	R217 F218 S219 A223 L226	R217-E221 HydrophobicContact CB-CG 4.15Å; R217-E221 WeakPolarHBondContact CB-OE1 3.37Å; R217-E221 WeakPolarHBondContact CD-O 3.36Å; R217-E221 PolarHBondContact NH1-O 3.01Å; F218-E221 WeakPolarHBondContact CB-OE1 3.39Å; F218-E221 WeakPolarHBondContact CD2-OE1 3.42Å; F218-E221 PolarHBondContact N-OE1 3.28Å; S219-E221 VanDerWaalsContact C-OE2 3.3Å; S219-E221 WeakPolarHBondContact CA-OE2 3.41Å; S219-E221 PolarHBondContact N-OE2 3.26Å; S219-E221 PolarHBondContact OG-OE2 3.06Å; E221-A223 PolarHBondContact O-N 3.05Å; E221-L226 HydrophobicContact CB-CD2 3.93Å; E221-L226 HydrophobicContact CG-CD2 4.37Å
222	P	97.1	Very high	95.8	Very high	56 Å²	56	86.8 Å²	86.8	36%	0.364	52%	0.522	S	S	.	.			trans	-58.3	137.6	170.1	-20.3	32.4	0	0	0	110.7	D224 G225 T227	P222-D224 PolarHBondContact O-N 3.33Å; P222-G225 PolarHBondContact O-N 2.63Å; P222-G225 VanDerWaalsContact O-N 3.14Å; P222-T227 HydrophobicContact CB-CG2 4.24Å; P222-T227 HydrophobicContact CG-CG2 3.99Å; P222-T227 WeakPolarHBondContact CG-OG1 3.5Å
223	A	93.7	Very high	95.9	Very high	74 Å²	74	91.6 Å²	91.6	61%	0.612	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.5	-175.4	0	0	0	0	0	113.6	E221 G225	E221-A223 PolarHBondContact O-N 3.05Å; A223-G225 VanDerWaalsContact C-N 3.29Å; A223-G225 PolarHBondContact O-N 3.09Å
224	D	94.6	Very high	95.8	Very high	174 Å²	174	94.3 Å²	94.3	93%	0.93	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	14.2	-179.1	-59.5	-43.4	0	0	0	113.6	P222	P222-D224 PolarHBondContact O-N 3.33Å
225	G	94.1	Very high	95.8	Very high	35 Å²	35	93.4 Å²	93.4	36%	0.361	58%	0.579	S	S	.	*	S	Bend	trans	109.3	174.4	177.7	0	0	0	0	0	114.3	P222 A223 T227	P222-G225 PolarHBondContact O-N 2.63Å; P222-G225 VanDerWaalsContact O-N 3.14Å; A223-G225 VanDerWaalsContact C-N 3.29Å; A223-G225 PolarHBondContact O-N 3.09Å; G225-T227 PolarHBondContact O-N 3.03Å
226	L	96.5	Very high	96	Very high	110 Å²	110	97.7 Å²	97.7	58%	0.576	61%	0.605	S	S	*	*			trans	-69.1	111.9	-176.7	-63	178.4	0	0	0	111.1	E221 T230	E221-L226 HydrophobicContact CB-CD2 3.93Å; E221-L226 HydrophobicContact CG-CD2 4.37Å; L226-T230 HydrophobicContact CB-CG2 4.01Å; L226-T230 WeakPolarHBondContact O-CG2 3.49Å
227	T	97.4	Very high	96.1	Very high	113 Å²	113	96.3 Å²	96.3	69%	0.693	59%	0.591	S	S	*	*	S	Bend	trans	-91.9	-14.4	173.1	62.7	0	0	0	0	113	P222 G225	P222-T227 HydrophobicContact CB-CG2 4.24Å; P222-T227 HydrophobicContact CG-CG2 3.99Å; P222-T227 WeakPolarHBondContact CG-OG1 3.5Å; G225-T227 PolarHBondContact O-N 3.03Å
228	S	96.8	Very high	96.1	Very high	73 Å²	73	102.2 Å²	102.2	51%	0.51	62%	0.618	S	S	.	*	S	Bend	trans	-144.2	168.6	177	65.3	0	0	0	0	109.4	T230	S228-T230 PolarHBondContact O-N 3.11Å
229	L	97	Very high	96.2	Very high	160 Å²	160	97 Å²	97	84%	0.838	62%	0.618	S	S	*	*			trans	54.4	35.2	-175.3	-56.6	174.7	0	0	0	112.9
230	T	97.2	Very high	96.2	Very high	102 Å²	102	98 Å²	98	63%	0.626	62%	0.621	S	S	*	*			trans	-79	-23.4	178.1	49.6	0	0	0	0	112.6	L226 S228	L226-T230 HydrophobicContact CB-CG2 4.01Å; L226-T230 WeakPolarHBondContact O-CG2 3.49Å; S228-T230 PolarHBondContact O-N 3.11Å
231	E	97.3	Very high	96.1	Very high	161 Å²	161	101.2 Å²	101.2	75%	0.752	62%	0.621	S	S	*	*	S	Bend	trans	-89.4	149.9	175.9	-64.9	-176	178.8	0	0	111
232	P	97.1	Very high	95.9	Very high	114 Å²	114	105.2 Å²	105.2	74%	0.74	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-62.4	143.5	173.3	27.4	-34.2	0	0	0	110.6
233	P	97.3	Very high	95.8	Very high	119 Å²	119	107.9 Å²	107.9	77%	0.773	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-62.3	142.1	178.9	26.6	-34.2	0	0	0	110.1
234	P	95.6	Very high	95.6	Very high	82 Å²	82	112.9 Å²	112.9	53%	0.532	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-64.1	143.6	176.2	28.1	-34	0	0	0	110.2	F238	P234-F238 HydrophobicContact CB-CB 3.57Å; P234-F238 HydrophobicContact CB-CD1 3.45Å; P234-F238 VanDerWaalsContact CB-CD1 3.45Å; P234-F238 HydrophobicContact CB-CD2 3.91Å; P234-F238 HydrophobicContact CB-CE1 4.04Å; P234-F238 HydrophobicContact CB-CE2 4.45Å; P234-F238 HydrophobicContact CB-CG 3.36Å; P234-F238 HydrophobicContact CG-CB 4.27Å; P234-F238 HydrophobicContact CG-CD1 3.52Å; P234-F238 HydrophobicContact CG-CE1 4Å; P234-F238 HydrophobicContact CG-CG 3.98Å
235	G	95.9	Very high	95.6	Very high	49 Å²	49	109.8 Å²	109.8	51%	0.505	67%	0.674	S	S	.	*			trans	-68.8	176.1	179	0	0	0	0	0	113.7	F238	G235-F238 WeakPolarHBondContact O-CB 3.42Å; G235-F238 PolarHBondContact O-N 3.11Å
236	P	96.2	Very high	95.7	Very high	142 Å²	142	113.7 Å²	113.7	92%	0.922	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	141.2	177	27	-35	0	0	0	111
237	G	94.6	Very high	95.7	Very high	54 Å²	54	113.9 Å²	113.9	56%	0.557	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.8	-11.6	-179.1	0	0	0	0	0	114.8	G239 V240	G237-G239 PolarHBondContact O-N 2.64Å; G237-V240 PolarHBondContact O-N 3.34Å; G237-V240 VanDerWaalsContact O-N 3.15Å
238	F	96	Very high	95.6	Very high	162 Å²	162	114 Å²	114	71%	0.711	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	122.1	175.8	-176.3	-100	0	0	0	111.3	P234 G235 V240	P234-F238 HydrophobicContact CB-CB 3.57Å; P234-F238 HydrophobicContact CB-CD1 3.45Å; P234-F238 VanDerWaalsContact CB-CD1 3.45Å; P234-F238 HydrophobicContact CB-CD2 3.91Å; P234-F238 HydrophobicContact CB-CE1 4.04Å; P234-F238 HydrophobicContact CB-CE2 4.45Å; P234-F238 HydrophobicContact CB-CG 3.36Å; P234-F238 HydrophobicContact CG-CB 4.27Å; P234-F238 HydrophobicContact CG-CD1 3.52Å; P234-F238 HydrophobicContact CG-CE1 4Å; P234-F238 HydrophobicContact CG-CG 3.98Å; G235-F238 WeakPolarHBondContact O-CB 3.42Å; G235-F238 PolarHBondContact O-N 3.11Å; F238-V240 PolarHBondContact O-N 2.69Å
239	G	95.3	Very high	95.5	Very high	79 Å²	79	116.6 Å²	116.6	81%	0.814	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.6	8	-177.6	0	0	0	0	0	114.8	G237 R241	G237-G239 PolarHBondContact O-N 2.64Å; G239-R241 PolarHBondContact O-N 2.69Å
240	V	96.8	Very high	95.4	Very high	82 Å²	82	113.7 Å²	113.7	50%	0.497	70%	0.7	S	S	.	*			trans	-70.7	128.9	174.1	177.3	0	0	0	0	109.4	G237 F238 L244	G237-V240 PolarHBondContact O-N 3.34Å; G237-V240 VanDerWaalsContact O-N 3.15Å; F238-V240 PolarHBondContact O-N 2.69Å; V240-L244 HydrophobicContact CG1-CB 4.23Å; V240-L244 HydrophobicContact CG1-CD2 4.2Å
241	R	95.4	Very high	95.2	Very high	153 Å²	153	114.5 Å²	114.5	58%	0.577	71%	0.705	S	S	*	*			trans	-62.3	148.9	176.1	62.8	-167.3	-88	-164.3	-8.3	110.7	G239 D243 L244	G239-R241 PolarHBondContact O-N 2.69Å; R241-D243 WeakPolarHBondContact CB-OD1 3.36Å; R241-D243 VanDerWaalsContact CG-OD1 3.26Å; R241-D243 WeakPolarHBondContact CG-OD1 3.32Å; R241-D243 IonicContact CZ-OD1 3.89Å; R241-D243 IonicContact CZ-OD2 3.26Å; R241-D243 VanDerWaalsContact NE-CG 3.28Å; R241-D243 IonicContact NE-OD1 3.81Å; R241-D243 PolarHBondContact NE-OD1 2.64Å; R241-D243 IonicContact NE-OD2 2.84Å; R241-D243 PolarHBondContact NE-OD2 2.92Å; R241-D243 IonicContact NH2-OD1 3.43Å; R241-D243 IonicContact NH2-OD2 3.87Å; R241-D243 PolarHBondContact NH2-OD2 3.24Å; R241-D243 PolarHBondContact O-N 3.43Å; R241-D243 VanDerWaalsContact O-N 3.16Å; R241-L244 HydrophobicContact CG-CB 3.57Å; R241-L244 PolarHBondContact O-N 3.27Å
242	A	92.8	Very high	95.1	Very high	115 Å²	115	110.9 Å²	110.9	95%	0.95	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-15.1	-174.6	0	0	0	0	0	114.6
243	D	93.8	Very high	94.9	Very high	112 Å²	112	110.7 Å²	110.7	60%	0.599	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	22.8	-175.9	62.8	-36.1	0	0	0	113.4	R241	R241-D243 WeakPolarHBondContact CB-OD1 3.36Å; R241-D243 VanDerWaalsContact CG-OD1 3.26Å; R241-D243 WeakPolarHBondContact CG-OD1 3.32Å; R241-D243 IonicContact CZ-OD1 3.89Å; R241-D243 IonicContact CZ-OD2 3.26Å; R241-D243 VanDerWaalsContact NE-CG 3.28Å; R241-D243 IonicContact NE-OD1 3.81Å; R241-D243 PolarHBondContact NE-OD1 2.64Å; R241-D243 IonicContact NE-OD2 2.84Å; R241-D243 PolarHBondContact NE-OD2 2.92Å; R241-D243 IonicContact NH2-OD1 3.43Å; R241-D243 IonicContact NH2-OD2 3.87Å; R241-D243 PolarHBondContact NH2-OD2 3.24Å; R241-D243 PolarHBondContact O-N 3.43Å; R241-D243 VanDerWaalsContact O-N 3.16Å
244	L	89.4	Confident	94.7	Very high	179 Å²	179	109.9 Å²	109.9	94%	0.937	69%	0.691	S	S	*	*			trans	-117.5	0	173.3	-168.2	78.2	0	0	0	111.5	V240 R241	V240-L244 HydrophobicContact CG1-CB 4.23Å; V240-L244 HydrophobicContact CG1-CD2 4.2Å; R241-L244 HydrophobicContact CG-CB 3.57Å; R241-L244 PolarHBondContact O-N 3.27Å

Retrieved 244 of 244 residues in 716.3 ms (Link to these results)

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