A0A061I4L0_CRIGR Loading...

NAD-dependent protein lipoamidase sirtuin-4, mitochondrial

Acts as NAD-dependent protein lipoamidase, biotinylase, deacetylase and ADP-ribosyl transferase. Catalyzes more efficiently removal of lipoyl- and biotinyl- than acetyl-lysine modifications. Inhibits the pyruvate dehydrogenase complex (PDH) activity via the enzymatic hydrolysis of the lipoamide cofactor from the E2 component, DLAT, in a phosphorylation-independent manner. Catalyzes the transfer of ADP-ribosyl groups onto target proteins, including mitochondrial GLUD1, inhibiting GLUD1 enzyme activity. Acts as a negative regulator of mitochondrial glutamine metabolism by mediating mono ADP-ribosylation of GLUD1: expressed in response to DNA damage and negatively regulates anaplerosis by inhibiting GLUD1, leading to block metabolism of glutamine into tricarboxylic acid cycle and promoting cell cycle arrest. In response to mTORC1 signal, SIRT4 expression is repressed, promoting anaplerosis and cell proliferation. Acts as a tumor suppressor. Also acts as a NAD-dependent protein deacetylase: mediates deacetylation of 'Lys-471' of MLYCD, inhibiting its activity, thereby acting as a regulator of lipid homeostasis. Does not seem to deacetylate PC. Controls fatty acid oxidation by inhibiting PPARA transcriptional activation. Impairs SIRT1-PPARA interaction probably through the regulation of NAD(+) levels. Down-regulates insulin secretion.

AlphaFold DB , UniProt , Accession A0A061I4L0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sirt4, Length 311 aa.

Structure Viewer

Loading PAE data...

(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	35.1	Very low	31.4	Very low	250 Å²	250	165.9 Å²	165.9	100%	1.232	86%	0.856	S	S	*	*				0	135.8	0	-95.7	167.9	157.6	0	0	108.8
2	S	34	Very low	31	Very low	114 Å²	114	166.3 Å²	166.3	80%	0.797	85%	0.851	S	S	*	*			trans	67.7	100.3	174	-149.1	0	0	0	0	119.4
3	R	29	Very low	30.7	Very low	236 Å²	236	171.9 Å²	171.9	89%	0.891	86%	0.855	S	S	*	*			trans	-72.3	143.4	152.3	-71.9	174.8	173.5	-165	-2.7	108.8
4	L	31.5	Very low	30.2	Very low	153 Å²	153	173.3 Å²	173.3	80%	0.801	86%	0.861	S	S	*	*			trans	-146.6	114.4	147	-104.5	140.2	0	0	0	110.1
5	T	30.5	Very low	30.3	Very low	122 Å²	122	169.6 Å²	169.6	75%	0.748	85%	0.852	S	S	*	*			trans	-74.4	138.4	174.7	39.6	0	0	0	0	111.4
6	F	31.8	Very low	30.1	Very low	204 Å²	204	169.2 Å²	169.2	90%	0.895	85%	0.853	S	S	*	*			trans	-125.8	130.9	156.1	-98.9	-91.8	0	0	0	111
7	R	27.9	Very low	30.1	Very low	240 Å²	240	169 Å²	169	91%	0.906	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-70.6	137.7	-173.4	-79.8	172.9	162.8	-178.1	-5.1	111.7	T9	R7-T9 PolarHBondContact O-N 3.42Å
8	S	30.5	Very low	30.3	Very low	114 Å²	114	165.6 Å²	165.6	80%	0.797	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-68.1	117.8	167.4	141.4	0	0	0	0	110.8
9	T	31.4	Very low	30.4	Very low	134 Å²	134	169.1 Å²	169.1	82%	0.822	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-88.5	128.4	162.6	40.5	0	0	0	0	109.5	R7 G11	R7-T9 PolarHBondContact O-N 3.42Å; T9-G11 PolarHBondContact O-N 3Å; T9-G11 VanDerWaalsContact O-N 3.14Å
10	K	33.8	Very low	30.3	Very low	190 Å²	190	166.9 Å²	166.9	83%	0.826	85%	0.848	S	S	*	*			trans	-50.9	109.6	-176	-66.5	171.5	174.8	178.1	0	112.2	H12	K10-H12 PolarHBondContact O-N 3.12Å
11	G	29.7	Very low	30.6	Very low	68 Å²	68	169.7 Å²	169.7	70%	0.701	85%	0.848	S	S	*	*			trans	-85.5	100.7	163.2	0	0	0	0	0	109.9	T9	T9-G11 PolarHBondContact O-N 3Å; T9-G11 VanDerWaalsContact O-N 3.14Å
12	H	27.3	Very low	30.5	Very low	171 Å²	171	162.8 Å²	162.8	79%	0.792	82%	0.824	S	S	*	*			trans	-74.5	127.2	168.6	-96.3	48	0	0	0	109.5	K10 M14	K10-H12 PolarHBondContact O-N 3.12Å; H12-M14 PolarHBondContact O-N 3.43Å
13	W	26.2	Very low	30.6	Very low	239 Å²	239	166.2 Å²	166.2	91%	0.905	83%	0.827	S	S	*	*			trans	-64.4	110.2	166.8	-66	87.1	0	0	0	108.9	T15	W13-T15 PolarHBondContact O-N 2.97Å
14	M	24.8	Very low	31.4	Very low	191 Å²	191	162.3 Å²	162.3	94%	0.941	81%	0.813	S	S	*	*			trans	-68	98.8	167.1	-87.2	-172.1	-90.2	0	0	108.3	H12 N16	H12-M14 PolarHBondContact O-N 3.43Å; M14-N16 PolarHBondContact O-N 3.18Å
15	T	30.6	Very low	31.9	Very low	118 Å²	118	159.6 Å²	159.6	72%	0.724	80%	0.804	S	S	*	*			trans	-69.4	121.2	164.2	38.6	0	0	0	0	107.7	W13 L17	W13-T15 PolarHBondContact O-N 2.97Å; T15-L17 PolarHBondContact O-N 3.31Å
16	N	26.9	Very low	32.9	Very low	163 Å²	163	160.5 Å²	160.5	87%	0.872	81%	0.81	S	S	*	*			trans	-56.1	106	168.6	-100.6	-26.6	0	0	0	108.1	M14 S18	M14-N16 PolarHBondContact O-N 3.18Å; N16-S18 VanDerWaalsContact C-N 3.3Å; N16-S18 PolarHBondContact O-N 3.23Å
17	L	30.7	Very low	34.4	Very low	166 Å²	166	152.2 Å²	152.2	87%	0.869	78%	0.782	S	S	*	*			trans	-64.1	94.2	171.5	-81.2	156.5	0	0	0	107.9	T15 R19	T15-L17 PolarHBondContact O-N 3.31Å; L17-R19 PolarHBondContact O-N 3.36Å
18	S	34.5	Very low	36.8	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	76%	0.764	S	S	*	*			trans	-49.1	121.1	162.3	42.9	0	0	0	0	108.9	N16	N16-S18 VanDerWaalsContact C-N 3.3Å; N16-S18 PolarHBondContact O-N 3.23Å
19	R	31.4	Very low	39.4	Very low	233 Å²	233	141 Å²	141	88%	0.879	73%	0.73	S	S	*	*			trans	-42.1	134.4	172.1	-85.8	176.6	162.4	178.7	-5.4	110.1	L17 R21	L17-R19 PolarHBondContact O-N 3.36Å; R19-R21 PolarHBondContact O-N 3.22Å; R19-R21 VanDerWaalsContact O-N 3.11Å
20	P	29.2	Very low	42.2	Very low	124 Å²	124	135.6 Å²	135.6	81%	0.805	70%	0.696	S	S	*	*			trans	-60.8	121.6	173.7	-9.1	21.5	0	0	0	107.9	S22	P20-S22 PolarHBondContact O-N 2.86Å; P20-S22 VanDerWaalsContact O-N 3.08Å
21	R	36.4	Very low	44.8	Very low	226 Å²	226	127.2 Å²	127.2	85%	0.853	66%	0.661	S	S	*	*			trans	-56.5	117.4	159.9	-79.9	-179.4	173.7	177.4	-1.1	105.5	R19 H23	R19-R21 PolarHBondContact O-N 3.22Å; R19-R21 VanDerWaalsContact O-N 3.11Å; R21-H23 PolarHBondContact O-N 3.16Å
22	S	32	Very low	47.6	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	66%	0.659	S	S	*	*			trans	-57.4	102.6	174	58.7	0	0	0	0	108.2	P20 R24	P20-S22 PolarHBondContact O-N 2.86Å; P20-S22 VanDerWaalsContact O-N 3.08Å; S22-R24 VanDerWaalsContact C-N 3.34Å; S22-R24 PolarHBondContact O-N 3.06Å
23	H	36.9	Very low	50.6	Low	185 Å²	185	122.3 Å²	122.3	86%	0.856	63%	0.633	S	S	*	*			trans	-62.9	101.4	165.8	-78.1	-64.9	0	0	0	106.4	R21	R21-H23 PolarHBondContact O-N 3.16Å
24	R	45.1	Very low	53.7	Low	154 Å²	154	113.9 Å²	113.9	58%	0.581	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-59.8	142.9	167.7	-80.2	-173.2	-178.7	170.1	3.3	107.7	S22 T26	S22-R24 VanDerWaalsContact C-N 3.34Å; S22-R24 PolarHBondContact O-N 3.06Å; R24-T26 PolarHBondContact O-N 3.29Å; R24-T26 VanDerWaalsContact O-N 3.13Å
25	P	42.8	Very low	56.8	Low	97 Å²	97	110.3 Å²	110.3	63%	0.63	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-55.4	123	179.1	-19	29.3	0	0	0	109.8	G27	P25-G27 PolarHBondContact O-N 3.22Å
26	T	51.8	Low	59.8	Low	141 Å²	141	107.5 Å²	107.5	87%	0.865	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	120.4	164	26.4	0	0	0	0	107.7	R24	R24-T26 PolarHBondContact O-N 3.29Å; R24-T26 VanDerWaalsContact O-N 3.13Å
27	G	62.6	Low	62.9	Low	29 Å²	29	102.8 Å²	102.8	30%	0.299	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	106.7	5.2	175.3	0	0	0	0	0	117.5	P25 F29 V30	P25-G27 PolarHBondContact O-N 3.22Å; G27-F29 PolarHBondContact O-N 3.4Å; G27-V30 PolarHBondContact O-N 3.25Å
28	L	77.6	Confident	65.9	Low	102 Å²	102	99 Å²	99	53%	0.534	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.9	178.9	-176.2	66.5	0	0	0	114.2
29	F	86.2	Confident	68.8	Low	18 Å²	18	98.6 Å²	98.6	8%	0.079	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	5.9	-176.8	-58.6	-54.6	0	0	0	114.3	G27 T64 G67 P69 V76	G27-F29 PolarHBondContact O-N 3.4Å; F29-T64 WeakPolarHBondContact O-CB 3.35Å; F29-T64 WeakPolarHBondContact O-CG2 3.26Å; F29-G67 VanDerWaalsContact CD2-O 3.3Å; F29-G67 WeakPolarHBondContact CD2-O 3.49Å; F29-G67 WeakPolarHBondContact CE2-O 3.47Å; F29-P69 HydrophobicContact CB-CB 4.45Å; F29-P69 HydrophobicContact CD1-CB 3.69Å; F29-P69 HydrophobicContact CD2-CB 4.29Å; F29-P69 HydrophobicContact CE1-CB 3.93Å; F29-P69 HydrophobicContact CE1-CG 4.39Å; F29-P69 HydrophobicContact CG-CB 3.88Å; F29-P69 HydrophobicContact CZ-CB 4.32Å; F29-P69 HydrophobicContact CZ-CG 4.36Å; F29-V76 WeakPolarHBondContact O-CG2 3.5Å
30	V	89.8	Confident	71.8	Confident	19 Å²	19	89.1 Å²	89.1	12%	0.115	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-88.8	123.2	178.7	-176.9	0	0	0	0	107.6	G27 E65 I284 R300	G27-V30 PolarHBondContact O-N 3.25Å; V30-E65 HydrophobicContact CG2-CG 3.73Å; V30-I284 HydrophobicContact CG1-CD1 4.05Å; V30-R300 HydrophobicContact CG1-CG 4.16Å
31	P	88.2	Confident	75	Confident	15 Å²	15	84.9 Å²	84.9	10%	0.097	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-66.4	157.9	175.9	27.7	-33.7	0	0	0	110.9	S33 V76 I284	P31-S33 PolarHBondContact O-N 2.92Å; P31-V76 HydrophobicContact CB-CG2 4.08Å; P31-I284 HydrophobicContact CB-CG2 4.45Å; P31-I284 HydrophobicContact CG-CB 4.12Å; P31-I284 HydrophobicContact CG-CD1 3.69Å; P31-I284 HydrophobicContact CG-CG2 3.98Å
32	P	89.2	Confident	77.9	Confident	99 Å²	99	80 Å²	80	64%	0.643	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-53	131.2	172.3	-24.1	33.9	0	0	0	110.9	I284	P32-I284 WeakPolarHBondContact O-CG2 3.49Å
33	S	90.4	Very high	81.1	Confident	37 Å²	37	79.4 Å²	79.4	26%	0.259	43%	0.433	S	S	.	.			trans	-127.1	146.2	179.5	176.5	0	0	0	0	108.9	P31	P31-S33 PolarHBondContact O-N 2.92Å
34	P	90.3	Very high	84	Confident	62 Å²	62	70.6 Å²	70.6	40%	0.403	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-59	158	165.9	28.7	-36.1	0	0	0	110.4	D298	P34-D298 HydrophobicContact CG-CB 4.43Å; P34-D298 VanDerWaalsContact CG-O 3.28Å; P34-D298 WeakPolarHBondContact CG-O 3.3Å
35	P	91.1	Very high	86.6	Confident	116 Å²	116	65.5 Å²	65.5	75%	0.753	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-59.7	156.4	173.2	27.6	-34.8	0	0	0	110.7	D37	P35-D37 PolarHBondContact O-N 2.89Å
36	L	91.9	Very high	89.2	Confident	58 Å²	58	69.8 Å²	69.8	30%	0.304	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-60.5	125.7	176.9	-176	64	0	0	0	110.8	I41 L304 L307	L36-I41 HydrophobicContact CD1-CD1 4.21Å; L36-I41 HydrophobicContact CD1-CG1 4.05Å; L36-I41 HydrophobicContact CD2-CD1 3.86Å; L36-I41 HydrophobicContact CG-CD1 3.97Å; L36-I41 HydrophobicContact CG-CG1 4.33Å; L36-L304 HydrophobicContact CD1-CB 3.46Å; L36-L304 VanDerWaalsContact CD1-CB 3.46Å; L36-L304 HydrophobicContact CD1-CD1 4.47Å; L36-L304 HydrophobicContact CD1-CG 4.02Å; L36-L307 HydrophobicContact CD2-CD1 3.53Å
37	D	92.1	Very high	91.4	Very high	65 Å²	65	64.1 Å²	64.1	35%	0.348	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-101.3	120	-179.1	-179.4	-9.5	0	0	0	110	P35 E39 K40 I41	P35-D37 PolarHBondContact O-N 2.89Å; D37-E39 PolarHBondContact O-N 3.21Å; D37-E39 PolarHBondContact OD1-N 3.02Å; D37-K40 HydrophobicContact CB-CB 4.04Å; D37-K40 HydrophobicContact CB-CD 4Å; D37-K40 HydrophobicContact CB-CG 3.88Å; D37-K40 WeakPolarHBondContact O-CB 3.41Å; D37-K40 PolarHBondContact O-N 2.91Å; D37-K40 VanDerWaalsContact O-N 3.12Å; D37-I41 PolarHBondContact O-N 2.85Å
38	P	95.3	Very high	93.1	Very high	85 Å²	85	62.8 Å²	62.8	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-55.4	-31.7	177.2	-26.6	35.5	0	0	0	114.5	I41 K42	P38-I41 PolarHBondContact O-N 2.93Å; P38-K42 WeakPolarHBondContact O-CG 3.34Å; P38-K42 PolarHBondContact O-N 3.02Å
39	E	95.5	Very high	94	Very high	99 Å²	99	61.4 Å²	61.4	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-70.7	-40.4	177.7	-67.9	-54.1	127.9	0	0	111.1	D37 I41 K42 E43	D37-E39 PolarHBondContact O-N 3.21Å; D37-E39 PolarHBondContact OD1-N 3.02Å; E39-I41 PolarHBondContact O-N 2.91Å; E39-K42 WeakPolarHBondContact O-CB 3.49Å; E39-K42 PolarHBondContact O-N 3.13Å; E39-K42 IonicContact OE1-NZ 3.25Å; E39-K42 PolarHBondContact OE1-NZ 3.23Å; E39-K42 IonicContact OE2-NZ 3.7Å; E39-E43 WeakPolarHBondContact O-CG 3.46Å; E39-E43 PolarHBondContact O-N 3.06Å
40	K	93.4	Very high	94.5	Very high	34 Å²	34	66.6 Å²	66.6	15%	0.148	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-36	173.1	-74.5	-170.8	-179.6	179.7	0	112.6	D37 L44 L297 D298	D37-K40 HydrophobicContact CB-CB 4.04Å; D37-K40 HydrophobicContact CB-CD 4Å; D37-K40 HydrophobicContact CB-CG 3.88Å; D37-K40 WeakPolarHBondContact O-CB 3.41Å; D37-K40 PolarHBondContact O-N 2.91Å; D37-K40 VanDerWaalsContact O-N 3.12Å; K40-L44 PolarHBondContact O-N 3.38Å; K40-L297 HydrophobicContact CB-CD2 3.61Å; K40-L297 HydrophobicContact CD-CD2 4.22Å; K40-L297 HydrophobicContact CG-CD2 3.79Å; K40-L297 WeakPolarHBondContact O-CD2 3.13Å; K40-D298 PolarHBondContact NZ-O 3.25Å; K40-D298 IonicContact NZ-OD2 3.82Å
41	I	97.1	Very high	94.9	Very high	36 Å²	36	65.9 Å²	65.9	19%	0.185	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-48	174.3	-57.5	170.1	0	0	0	109.9	L36 D37 P38 E39 E43 L44 Q45 L304 L307 I308	L36-I41 HydrophobicContact CD1-CD1 4.21Å; L36-I41 HydrophobicContact CD1-CG1 4.05Å; L36-I41 HydrophobicContact CD2-CD1 3.86Å; L36-I41 HydrophobicContact CG-CD1 3.97Å; L36-I41 HydrophobicContact CG-CG1 4.33Å; D37-I41 PolarHBondContact O-N 2.85Å; P38-I41 PolarHBondContact O-N 2.93Å; E39-I41 PolarHBondContact O-N 2.91Å; I41-E43 PolarHBondContact O-N 3.29Å; I41-L44 PolarHBondContact O-N 3.45Å; I41-Q45 VanDerWaalsContact O-CB 3.31Å; I41-Q45 WeakPolarHBondContact O-CB 3.23Å; I41-Q45 PolarHBondContact O-N 2.96Å; I41-L304 HydrophobicContact CG1-CG 4.28Å; I41-L307 HydrophobicContact CD1-CD1 3.79Å; I41-L307 HydrophobicContact CG1-CD1 4.5Å; I41-L307 HydrophobicContact CG2-CB 4.32Å; I41-I308 HydrophobicContact CG2-CD1 3.99Å
42	K	97.9	Very high	95.3	Very high	122 Å²	122	73.8 Å²	73.8	53%	0.53	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-40.5	179.1	-67.4	173	-172.6	168.1	0	112.2	P38 E39 Q45 R46	P38-K42 WeakPolarHBondContact O-CG 3.34Å; P38-K42 PolarHBondContact O-N 3.02Å; E39-K42 WeakPolarHBondContact O-CB 3.49Å; E39-K42 PolarHBondContact O-N 3.13Å; E39-K42 IonicContact OE1-NZ 3.25Å; E39-K42 PolarHBondContact OE1-NZ 3.23Å; E39-K42 IonicContact OE2-NZ 3.7Å; K42-Q45 PolarHBondContact O-N 3.07Å; K42-R46 WeakPolarHBondContact O-CB 3.5Å; K42-R46 PolarHBondContact O-N 2.92Å
43	E	97.8	Very high	95.7	Very high	95 Å²	95	74.2 Å²	74.2	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-47.1	176.8	-71.7	179	155	0	0	111.6	E39 I41 R46 F47 L295	E39-E43 WeakPolarHBondContact O-CG 3.46Å; E39-E43 PolarHBondContact O-N 3.06Å; I41-E43 PolarHBondContact O-N 3.29Å; E43-R46 PolarHBondContact O-N 2.81Å; E43-F47 PolarHBondContact O-N 3.06Å; E43-L295 HydrophobicContact CB-CD1 3.83Å; E43-L295 HydrophobicContact CB-CD2 4.16Å; E43-L295 HydrophobicContact CG-CD1 4.44Å; E43-L295 WeakPolarHBondContact OE2-CD1 3.16Å
44	L	98.3	Very high	96	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65.6	-43	175.6	-171	57.3	0	0	0	111.2	K40 I41 R46 F47 I48 L254 L282 L295 L297 L304 L305 I308	K40-L44 PolarHBondContact O-N 3.38Å; I41-L44 PolarHBondContact O-N 3.45Å; L44-R46 VanDerWaalsContact C-N 3.27Å; L44-R46 PolarHBondContact O-N 3.18Å; L44-F47 HydrophobicContact CD1-CD1 4.5Å; L44-F47 WeakPolarHBondContact O-CB 3.4Å; L44-F47 PolarHBondContact O-N 2.94Å; L44-F47 VanDerWaalsContact O-N 3.16Å; L44-I48 HydrophobicContact CD1-CD1 4.24Å; L44-I48 HydrophobicContact CD1-CG1 3.91Å; L44-I48 HydrophobicContact CG-CG1 4.02Å; L44-I48 WeakPolarHBondContact O-CB 3.4Å; L44-I48 VanDerWaalsContact O-CG1 3.23Å; L44-I48 WeakPolarHBondContact O-CG1 3.26Å; L44-I48 PolarHBondContact O-N 3.37Å; L44-L254 HydrophobicContact CD1-CD1 4.19Å; L44-L282 HydrophobicContact CD2-CD2 4.4Å; L44-L295 HydrophobicContact CD1-CD2 4.44Å; L44-L297 HydrophobicContact CB-CD1 3.68Å; L44-L297 HydrophobicContact CD1-CD1 3.8Å; L44-L297 HydrophobicContact CD2-CD1 3.94Å; L44-L297 HydrophobicContact CG-CD1 3.99Å; L44-L304 HydrophobicContact CB-CD2 4.22Å; L44-L304 HydrophobicContact CD2-CD2 3.32Å; L44-L304 HydrophobicContact CG-CD2 4.34Å; L44-L305 HydrophobicContact CD2-CD2 4.12Å; L44-I308 HydrophobicContact CB-CD1 3.96Å; L44-I308 HydrophobicContact CD2-CD1 4.18Å; L44-I308 HydrophobicContact CD2-CG1 3.89Å; L44-I308 HydrophobicContact CG-CD1 4.11Å; L44-I308 HydrophobicContact CG-CG1 4.16Å
45	Q	98.6	Very high	96.5	Very high	47 Å²	47	69.6 Å²	69.6	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-55	-46.7	176.7	-179.2	62.1	55.3	0	0	110.5	I41 K42 I48 T49 I308 D309	I41-Q45 VanDerWaalsContact O-CB 3.31Å; I41-Q45 WeakPolarHBondContact O-CB 3.23Å; I41-Q45 PolarHBondContact O-N 2.96Å; K42-Q45 PolarHBondContact O-N 3.07Å; Q45-I48 PolarHBondContact O-N 3.18Å; Q45-T49 PolarHBondContact NE2-OG1 3.04Å; Q45-T49 VanDerWaalsContact NE2-OG1 3.08Å; Q45-T49 WeakPolarHBondContact O-CB 3.38Å; Q45-T49 PolarHBondContact O-N 2.91Å; Q45-T49 PolarHBondContact O-OG1 2.74Å; Q45-I308 HydrophobicContact CB-CD1 4.16Å; Q45-D309 PolarHBondContact NE2-O 3.14Å
46	R	98.2	Very high	96.8	Very high	187 Å²	187	64.1 Å²	64.1	71%	0.706	31%	0.305	S	S	*	.	H	α-helix	trans	-61.9	-46.7	177.2	-176.4	178	179.6	174.9	0.7	111.8	K42 E43 L44 I48 T49 L50	K42-R46 WeakPolarHBondContact O-CB 3.5Å; K42-R46 PolarHBondContact O-N 2.92Å; E43-R46 PolarHBondContact O-N 2.81Å; L44-R46 VanDerWaalsContact C-N 3.27Å; L44-R46 PolarHBondContact O-N 3.18Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 2.9Å; R46-T49 PolarHBondContact O-N 3.3Å; R46-L50 HydrophobicContact CG-CD1 4.17Å; R46-L50 VanDerWaalsContact O-CG 3.32Å; R46-L50 WeakPolarHBondContact O-CG 3.19Å; R46-L50 PolarHBondContact O-N 3.06Å
47	F	98.4	Very high	97.2	Very high	22 Å²	22	61.5 Å²	61.5	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-46.6	177.1	-179.1	-84.3	0	0	0	111.4	E43 L44 L54 P278 A280 L295	E43-F47 PolarHBondContact O-N 3.06Å; L44-F47 HydrophobicContact CD1-CD1 4.5Å; L44-F47 WeakPolarHBondContact O-CB 3.4Å; L44-F47 PolarHBondContact O-N 2.94Å; L44-F47 VanDerWaalsContact O-N 3.16Å; F47-L54 HydrophobicContact CE1-CD1 4.21Å; F47-P278 HydrophobicContact CE2-CB 3.85Å; F47-P278 HydrophobicContact CZ-CB 4.45Å; F47-A280 HydrophobicContact CD1-CB 3.84Å; F47-A280 HydrophobicContact CD2-CB 3.83Å; F47-A280 HydrophobicContact CE1-CB 3.64Å; F47-A280 HydrophobicContact CE2-CB 3.59Å; F47-A280 HydrophobicContact CG-CB 3.94Å; F47-A280 HydrophobicContact CZ-CB 3.51Å; F47-L295 HydrophobicContact CB-CD2 4.01Å; F47-L295 HydrophobicContact CG-CD2 4.45Å
48	I	98.3	Very high	97.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-47.3	-178.2	-62.9	-64.7	0	0	0	110.3	L44 Q45 R46 L50 S51 L54 W128 K133 L254 I308	L44-I48 HydrophobicContact CD1-CD1 4.24Å; L44-I48 HydrophobicContact CD1-CG1 3.91Å; L44-I48 HydrophobicContact CG-CG1 4.02Å; L44-I48 WeakPolarHBondContact O-CB 3.4Å; L44-I48 VanDerWaalsContact O-CG1 3.23Å; L44-I48 WeakPolarHBondContact O-CG1 3.26Å; L44-I48 PolarHBondContact O-N 3.37Å; Q45-I48 PolarHBondContact O-N 3.18Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 2.9Å; I48-L50 PolarHBondContact O-N 3.26Å; I48-S51 PolarHBondContact O-N 2.76Å; I48-L54 HydrophobicContact CD1-CD1 4.37Å; I48-L54 HydrophobicContact CD1-CD2 3.55Å; I48-W128 HydrophobicContact CD1-CH2 3.93Å; I48-W128 HydrophobicContact CD1-CZ3 3.62Å; I48-W128 HydrophobicContact CG1-CH2 4.06Å; I48-W128 HydrophobicContact CG1-CZ3 4.21Å; I48-W128 HydrophobicContact CG2-CZ3 4.45Å; I48-K133 HydrophobicContact CG2-CD 4.48Å; I48-K133 HydrophobicContact CG2-CG 4.32Å; I48-K133 WeakPolarHBondContact O-CE 3.48Å; I48-K133 PolarHBondContact O-NZ 3.44Å; I48-L254 HydrophobicContact CD1-CD2 4.25Å; I48-I308 HydrophobicContact CB-CG2 4.02Å; I48-I308 HydrophobicContact CG1-CG2 4.06Å; I48-I308 HydrophobicContact CG2-CG2 3.98Å
49	T	97.1	Very high	97.6	Very high	73 Å²	73	54.5 Å²	54.5	45%	0.448	25%	0.25	S	C	.	.	H	α-helix	trans	-53.2	-41	178.6	-54.2	0	0	0	0	112	Q45 R46 S51	Q45-T49 PolarHBondContact NE2-OG1 3.04Å; Q45-T49 VanDerWaalsContact NE2-OG1 3.08Å; Q45-T49 WeakPolarHBondContact O-CB 3.38Å; Q45-T49 PolarHBondContact O-N 2.91Å; Q45-T49 PolarHBondContact O-OG1 2.74Å; R46-T49 PolarHBondContact O-N 3.3Å; T49-S51 VanDerWaalsContact C-N 3.3Å; T49-S51 PolarHBondContact O-N 3.39Å
50	L	96.6	Very high	97.6	Very high	128 Å²	128	50.7 Å²	50.7	67%	0.67	24%	0.236	S	C	*	.	H	α-helix	trans	-72.6	-18.9	-179	-68.4	172.2	0	0	0	114.3	R46 I48	R46-L50 HydrophobicContact CG-CD1 4.17Å; R46-L50 VanDerWaalsContact O-CG 3.32Å; R46-L50 WeakPolarHBondContact O-CG 3.19Å; R46-L50 PolarHBondContact O-N 3.06Å; I48-L50 PolarHBondContact O-N 3.26Å
51	S	97.5	Very high	97.8	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.028	24%	0.235	C	C	.	.			trans	-87.2	135.9	180	179.4	0	0	0	0	112.2	I48 T49 L54 K133 D251 S252	I48-S51 PolarHBondContact O-N 2.76Å; T49-S51 VanDerWaalsContact C-N 3.3Å; T49-S51 PolarHBondContact O-N 3.39Å; S51-L54 WeakPolarHBondContact OG-CA 3.43Å; S51-L54 WeakPolarHBondContact OG-CB 3.45Å; S51-L54 PolarHBondContact OG-N 3.39Å; S51-K133 VanDerWaalsContact O-CE 3.27Å; S51-K133 WeakPolarHBondContact O-CE 3.36Å; S51-K133 PolarHBondContact O-NZ 2.58Å; S51-D251 WeakPolarHBondContact CB-OD1 3.3Å; S51-D251 PolarHBondContact OG-OD1 2.71Å; S51-S252 WeakPolarHBondContact CB-OG 3.4Å; S51-S252 PolarHBondContact OG-OG 2.9Å
52	K	96.1	Very high	97.8	Very high	181 Å²	181	48 Å²	48	79%	0.787	23%	0.226	S	C	*	.	S	Bend	trans	-107.8	-25.4	172.1	-59.1	-179.8	179.6	179.9	0	112.1	D251	K52-D251 WeakPolarHBondContact CA-OD2 3.19Å; K52-D251 WeakPolarHBondContact CB-OD2 3.42Å; K52-D251 PolarHBondContact N-OD1 3.3Å; K52-D251 PolarHBondContact N-OD2 2.79Å
53	K	97.1	Very high	97.8	Very high	107 Å²	107	42.2 Å²	42.2	47%	0.465	20%	0.201	S	C	.	.	S	Bend	trans	-130.9	71.1	179	-66.6	-175.7	-177.8	177.8	0	110.3	H135 E249 A250 D251	K53-H135 HydrophobicContact CB-CB 4.01Å; K53-E249 VanDerWaalsContact CD-O 3.26Å; K53-E249 WeakPolarHBondContact CD-O 3.02Å; K53-A250 WeakPolarHBondContact O-CA 3.3Å; K53-A250 VanDerWaalsContact O-CB 3.26Å; K53-A250 WeakPolarHBondContact O-CB 3.44Å; K53-D251 VanDerWaalsContact C-OD1 3.32Å; K53-D251 VanDerWaalsContact N-CG 3.28Å; K53-D251 PolarHBondContact N-OD1 2.74Å; K53-D251 PolarHBondContact N-OD2 2.99Å; K53-D251 PolarHBondContact O-N 2.79Å
54	L	98.6	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124.9	-178.9	179.8	62.9	0	0	0	111	F47 I48 S51 V56 W128 L134 H135 W136 S252 L254	F47-L54 HydrophobicContact CE1-CD1 4.21Å; I48-L54 HydrophobicContact CD1-CD1 4.37Å; I48-L54 HydrophobicContact CD1-CD2 3.55Å; S51-L54 WeakPolarHBondContact OG-CA 3.43Å; S51-L54 WeakPolarHBondContact OG-CB 3.45Å; S51-L54 PolarHBondContact OG-N 3.39Å; L54-V56 HydrophobicContact CD2-CG2 4.03Å; L54-V56 HydrophobicContact CG-CG2 4.01Å; L54-W128 HydrophobicContact CD2-CE3 4Å; L54-W128 HydrophobicContact CD2-CZ3 3.89Å; L54-L134 HydrophobicContact CB-CD2 4.41Å; L54-L134 HydrophobicContact CD2-CD2 3.81Å; L54-L134 HydrophobicContact CG-CD2 4.07Å; L54-H135 WeakPolarHBondContact O-CB 3.5Å; L54-H135 PolarHBondContact O-N 2.86Å; L54-W136 PolarHBondContact O-N 3.37Å; L54-S252 WeakPolarHBondContact CD1-OG 3.44Å; L54-L254 HydrophobicContact CD1-CB 3.93Å
55	I	98.7	Very high	97.6	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.8	163.5	-162.5	165.2	0	0	0	110.2	W136 V138 R246 V247 A250 S252 L253 L254	I55-W136 WeakPolarHBondContact CA-O 3.34Å; I55-W136 HydrophobicContact CD1-CB 4.35Å; I55-W136 HydrophobicContact CG1-CB 4.22Å; I55-W136 WeakPolarHBondContact CG1-O 3.38Å; I55-V138 HydrophobicContact CD1-CG2 4.33Å; I55-R246 HydrophobicContact CD1-CB 3.88Å; I55-V247 HydrophobicContact CD1-CB 4.38Å; I55-V247 HydrophobicContact CD1-CG2 3.67Å; I55-A250 HydrophobicContact CB-CB 4.02Å; I55-A250 HydrophobicContact CG2-CB 3.98Å; I55-S252 WeakPolarHBondContact CG2-O 3.42Å; I55-S252 PolarHBondContact N-O 3.45Å; I55-L253 HydrophobicContact CG2-CB 3.74Å; I55-L253 HydrophobicContact CG2-CD1 3.77Å; I55-L253 HydrophobicContact CG2-CG 3.66Å; I55-L253 CarbonylContact O-C 3.56Å; I55-L253 WeakPolarHBondContact O-CA 3.46Å; I55-L254 PolarHBondContact O-N 3.18Å
56	V	98.9	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.4	177.4	175.5	0	0	0	0	110	L54 T58 L125 L134 W136 L137 V138 L254 V256	L54-V56 HydrophobicContact CD2-CG2 4.03Å; L54-V56 HydrophobicContact CG-CG2 4.01Å; V56-T58 HydrophobicContact CG1-CG2 3.71Å; V56-L125 HydrophobicContact CG1-CD1 4.09Å; V56-L125 HydrophobicContact CG1-CD2 4.23Å; V56-L125 HydrophobicContact CG2-CD2 4.15Å; V56-L134 HydrophobicContact CB-CD2 4.24Å; V56-L134 HydrophobicContact CG2-CD2 3.32Å; V56-W136 PolarHBondContact N-O 2.92Å; V56-L137 HydrophobicContact CB-CG 4.27Å; V56-L137 HydrophobicContact CG1-CD1 4.39Å; V56-L137 HydrophobicContact CG1-CG 4.33Å; V56-L137 CarbonylContact O-C 3.38Å; V56-L137 WeakPolarHBondContact O-CA 2.95Å; V56-V138 PolarHBondContact O-N 3.42Å; V56-L254 CarbonylContact C-O 2.97Å; V56-L254 VanDerWaalsContact CA-O 3.31Å; V56-L254 WeakPolarHBondContact CA-O 3.37Å; V56-L254 HydrophobicContact CG2-CB 4.24Å; V56-L254 HydrophobicContact CG2-CD2 4.32Å; V56-V256 HydrophobicContact CG1-CG2 4.17Å
57	M	98.8	Very high	97.1	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.5	170.1	-179.9	64.8	66.4	0	0	109.3	V138 Q140 L254 V255 V256 F268	M57-V138 CarbonylContact C-O 3.59Å; M57-V138 WeakPolarHBondContact CA-O 3.4Å; M57-V138 HydrophobicContact CE-CB 3.67Å; M57-V138 HydrophobicContact CE-CG1 3.6Å; M57-V138 HydrophobicContact CE-CG2 4.31Å; M57-V138 HydrophobicContact SD-CB 3.85Å; M57-V138 HydrophobicContact SD-CG1 3.78Å; M57-Q140 HydrophobicContact SD-CG 4.33Å; M57-L254 PolarHBondContact N-O 3.03Å; M57-V255 CarbonylContact O-C 3.5Å; M57-V255 WeakPolarHBondContact O-CA 3.35Å; M57-V256 PolarHBondContact O-N 3.5Å; M57-F268 HydrophobicContact CE-CB 4Å; M57-F268 HydrophobicContact CE-CD2 3.48Å; M57-F268 VanDerWaalsContact CE-CD2 3.48Å; M57-F268 HydrophobicContact CE-CE2 4.32Å; M57-F268 HydrophobicContact CE-CG 4.06Å
58	T	98.8	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	150.3	177.7	67.1	0	0	0	0	112.5	V56 I62 L125 L137 V138 T139 Q140 H146 V256	V56-T58 HydrophobicContact CG1-CG2 3.71Å; T58-I62 HydrophobicContact CG2-CD1 3.84Å; T58-L125 HydrophobicContact CG2-CD1 4.09Å; T58-L137 HydrophobicContact CG2-CD2 4.34Å; T58-V138 PolarHBondContact N-O 3.38Å; T58-T139 WeakPolarHBondContact OG1-CA 3.31Å; T58-T139 WeakPolarHBondContact OG1-CB 3.43Å; T58-T139 PolarHBondContact OG1-OG1 3.39Å; T58-Q140 PolarHBondContact O-N 2.67Å; T58-Q140 PolarHBondContact O-NE2 3.39Å; T58-H146 PolarHBondContact OG1-NE2 3.47Å; T58-V256 VanDerWaalsContact CA-O 3.3Å; T58-V256 WeakPolarHBondContact CA-O 3.36Å; T58-V256 HydrophobicContact CG2-CB 4.23Å
59	G	98.1	Very high	96.1	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.021	16%	0.163	C	C	.	.			trans	-131.2	-172.6	172.1	0	0	0	0	0	112.1	G61 I62 N141 V256 G257	G59-G61 PolarHBondContact O-N 3.46Å; G59-G61 VanDerWaalsContact O-N 3.08Å; G59-I62 WeakPolarHBondContact O-CG2 3.36Å; G59-I62 PolarHBondContact O-N 3Å; G59-I62 VanDerWaalsContact O-N 3.14Å; G59-N141 WeakPolarHBondContact CA-OD1 3.3Å; G59-N141 PolarHBondContact O-ND2 3.2Å; G59-N141 PolarHBondContact O-OD1 2.76Å; G59-V256 PolarHBondContact N-O 3.2Å; G59-G257 CarbonylContact C-O 3.57Å; G59-G257 VanDerWaalsContact CA-O 3.24Å; G59-G257 WeakPolarHBondContact CA-O 3.35Å
60	A	95.5	Very high	95.4	Very high	20 Å²	20	27.3 Å²	27.3	17%	0.165	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-61.7	-24.2	-169.6	0	0	0	0	0	113.8	I62 S63 D70 Y71 N141 G257	A60-I62 PolarHBondContact O-N 3.25Å; A60-S63 PolarHBondContact O-N 2.98Å; A60-D70 HydrophobicContact CB-CB 3.8Å; A60-Y71 HydrophobicContact CB-CD2 4.24Å; A60-N141 VanDerWaalsContact CA-OD1 3.27Å; A60-N141 WeakPolarHBondContact CA-OD1 3.27Å; A60-N141 PolarHBondContact N-OD1 3.11Å; A60-G257 PolarHBondContact N-O 3.08Å
61	G	96.6	Very high	94.5	Very high	13 Å²	13	23.7 Å²	23.7	13%	0.134	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-56.7	-34.9	176.5	0	0	0	0	0	113.2	G59 S63 T64 G257	G59-G61 PolarHBondContact O-N 3.46Å; G59-G61 VanDerWaalsContact O-N 3.08Å; G61-S63 PolarHBondContact O-N 3.12Å; G61-T64 PolarHBondContact O-N 3.43Å; G61-T64 PolarHBondContact O-OG1 3.19Å; G61-G257 VanDerWaalsContact CA-O 3.31Å; G61-G257 WeakPolarHBondContact CA-O 3.45Å; G61-G257 PolarHBondContact N-O 3.3Å
62	I	98.2	Very high	93.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-63.4	-24.6	178	-157.8	175.1	0	0	0	112.8	T58 G59 A60 N119 A121 H122 L125 N141 V256	T58-I62 HydrophobicContact CG2-CD1 3.84Å; G59-I62 WeakPolarHBondContact O-CG2 3.36Å; G59-I62 PolarHBondContact O-N 3Å; G59-I62 VanDerWaalsContact O-N 3.14Å; A60-I62 PolarHBondContact O-N 3.25Å; I62-N119 PolarHBondContact O-ND2 3.45Å; I62-A121 HydrophobicContact CD1-CB 4.07Å; I62-A121 HydrophobicContact CG1-CB 3.71Å; I62-H122 PolarHBondContact O-CE1 3.37Å; I62-H122 VanDerWaalsContact O-CE1 3.31Å; I62-L125 HydrophobicContact CD1-CD1 3.78Å; I62-N141 WeakPolarHBondContact CG2-ND2 3.41Å; I62-V256 HydrophobicContact CB-CG1 4.44Å; I62-V256 HydrophobicContact CD1-CB 4.49Å; I62-V256 HydrophobicContact CD1-CG1 3.97Å; I62-V256 HydrophobicContact CG1-CG1 4.09Å
63	S	97.7	Very high	92.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-97.8	-3.7	-176	-57.8	0	0	0	0	113.2	A60 G61 E65 S66 I68 N141 D143	A60-S63 PolarHBondContact O-N 2.98Å; G61-S63 PolarHBondContact O-N 3.12Å; S63-E65 VanDerWaalsContact C-N 3.28Å; S63-E65 PolarHBondContact O-N 2.95Å; S63-S66 WeakPolarHBondContact O-CA 3.13Å; S63-S66 VanDerWaalsContact O-CB 3.3Å; S63-S66 WeakPolarHBondContact O-CB 3.48Å; S63-S66 PolarHBondContact O-N 3.06Å; S63-I68 PolarHBondContact O-N 2.91Å; S63-N141 PolarHBondContact OG-ND2 2.87Å; S63-N141 VanDerWaalsContact OG-ND2 3.17Å; S63-D143 WeakPolarHBondContact CB-OD2 3.25Å; S63-D143 PolarHBondContact OG-OD2 2.8Å
64	T	95.6	Very high	91.6	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.025	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-59.3	-39	176.7	57.6	0	0	0	0	112.8	F29 G61 S66 G67 I68 D70	F29-T64 WeakPolarHBondContact O-CB 3.35Å; F29-T64 WeakPolarHBondContact O-CG2 3.26Å; G61-T64 PolarHBondContact O-N 3.43Å; G61-T64 PolarHBondContact O-OG1 3.19Å; T64-S66 PolarHBondContact O-N 3.3Å; T64-G67 PolarHBondContact O-N 3.34Å; T64-I68 VanDerWaalsContact CA-O 3.23Å; T64-I68 WeakPolarHBondContact CA-O 3.44Å; T64-D70 HydrophobicContact CG2-CB 3.95Å
65	E	95.6	Very high	90.2	Very high	37 Å²	37	28.8 Å²	28.8	17%	0.173	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-72.9	-14	177.5	-54.9	-172	-108.9	0	0	112.7	V30 S63 G67 N119 R300 C301 G302	V30-E65 HydrophobicContact CG2-CG 3.73Å; S63-E65 VanDerWaalsContact C-N 3.28Å; S63-E65 PolarHBondContact O-N 2.95Å; E65-G67 VanDerWaalsContact C-N 3.31Å; E65-N119 HydrophobicContact CB-CB 4.31Å; E65-R300 IonicContact OE2-CZ 3.21Å; E65-R300 IonicContact OE2-NE 3.46Å; E65-R300 PolarHBondContact OE2-NE 3.42Å; E65-R300 IonicContact OE2-NH2 3.02Å; E65-R300 PolarHBondContact OE2-NH2 3.3Å; E65-C301 PolarHBondContact OE1-SG 2.79Å; E65-G302 VanDerWaalsContact OE1-CA 3.28Å; E65-G302 WeakPolarHBondContact OE1-CA 3.12Å; E65-G302 PolarHBondContact OE1-N 3.25Å
66	S	95.6	Very high	88.9	Confident	19 Å²	19	29.7 Å²	29.7	13%	0.133	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-87	1.6	170.1	-68	0	0	0	0	113	S63 T64 H116 Q117 N119 L145	S63-S66 WeakPolarHBondContact O-CA 3.13Å; S63-S66 VanDerWaalsContact O-CB 3.3Å; S63-S66 WeakPolarHBondContact O-CB 3.48Å; S63-S66 PolarHBondContact O-N 3.06Å; T64-S66 PolarHBondContact O-N 3.3Å; S66-H116 PolarHBondContact O-CD2 3.47Å; S66-Q117 WeakPolarHBondContact CB-O 3.45Å; S66-Q117 PolarHBondContact OG-O 3.17Å; S66-N119 PolarHBondContact N-ND2 3.4Å; S66-N119 WeakPolarHBondContact OG-CB 3.33Å; S66-N119 PolarHBondContact OG-ND2 3.32Å; S66-L145 WeakPolarHBondContact OG-CD1 3.29Å
67	G	91.6	Very high	87.1	Confident	30 Å²	30	29.7 Å²	29.7	31%	0.309	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	15.9	-177.5	0	0	0	0	0	114.2	F29 T64 E65 H116	F29-G67 VanDerWaalsContact CD2-O 3.3Å; F29-G67 WeakPolarHBondContact CD2-O 3.49Å; F29-G67 WeakPolarHBondContact CE2-O 3.47Å; T64-G67 PolarHBondContact O-N 3.34Å; E65-G67 VanDerWaalsContact C-N 3.31Å; G67-H116 PolarHBondContact O-NE2 3.37Å
68	I	88.9	Confident	86	Confident	5 Å²	5	30 Å²	30	3%	0.026	16%	0.155	C	C	.	.			trans	-99.5	124.3	172.4	-55	-177.8	0	0	0	108.2	S63 T64 F113 H116 D143 L145	S63-I68 PolarHBondContact O-N 2.91Å; T64-I68 VanDerWaalsContact CA-O 3.23Å; T64-I68 WeakPolarHBondContact CA-O 3.44Å; I68-F113 HydrophobicContact CD1-CE2 4.39Å; I68-F113 HydrophobicContact CG2-CE2 4.46Å; I68-H116 HydrophobicContact CD1-CB 3.93Å; I68-H116 HydrophobicContact CG1-CB 4.07Å; I68-D143 HydrophobicContact CD1-CB 3.72Å; I68-L145 HydrophobicContact CD1-CD1 3.88Å; I68-L145 HydrophobicContact CD1-CG 4.33Å
69	P	85.9	Confident	84.7	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.167	C	C	.	.			trans	-63.6	158.7	178.1	24.2	-29	0	0	0	111.5	F29 V196 P198	F29-P69 HydrophobicContact CB-CB 4.45Å; F29-P69 HydrophobicContact CD1-CB 3.69Å; F29-P69 HydrophobicContact CD2-CB 4.29Å; F29-P69 HydrophobicContact CE1-CB 3.93Å; F29-P69 HydrophobicContact CE1-CG 4.39Å; F29-P69 HydrophobicContact CG-CB 3.88Å; F29-P69 HydrophobicContact CZ-CB 4.32Å; F29-P69 HydrophobicContact CZ-CG 4.36Å; P69-V196 VanDerWaalsContact CG-O 3.26Å; P69-V196 WeakPolarHBondContact CG-O 3.27Å; P69-P198 HydrophobicContact CG-CG 4.41Å; P69-P198 WeakPolarHBondContact O-CB 3.47Å; P69-P198 WeakPolarHBondContact O-CG 3.29Å
70	D	82.4	Confident	83	Confident	15 Å²	15	36 Å²	36	8%	0.08	19%	0.19	C	C	.	.			trans	-97.6	-179.6	165.2	89.2	-5.3	0	0	0	111.3	A60 T64 R72 S73 G77 L78	A60-D70 HydrophobicContact CB-CB 3.8Å; T64-D70 HydrophobicContact CG2-CB 3.95Å; D70-R72 PolarHBondContact OD1-N 2.82Å; D70-R72 VanDerWaalsContact OD1-N 3.12Å; D70-S73 VanDerWaalsContact CG-OG 3.24Å; D70-S73 VanDerWaalsContact OD1-CB 3.25Å; D70-S73 WeakPolarHBondContact OD1-CB 3.48Å; D70-S73 PolarHBondContact OD1-N 3.48Å; D70-S73 PolarHBondContact OD1-OG 3.02Å; D70-S73 WeakPolarHBondContact OD2-CB 3.43Å; D70-S73 PolarHBondContact OD2-N 3.47Å; D70-S73 VanDerWaalsContact OD2-N 3.16Å; D70-S73 PolarHBondContact OD2-OG 3.15Å; D70-G77 WeakPolarHBondContact OD1-CA 3.48Å; D70-L78 PolarHBondContact O-N 3.37Å
71	Y	78.9	Confident	81.7	Confident	51 Å²	51	39.8 Å²	39.8	20%	0.2	20%	0.201	C	C	.	.	S	Bend	trans	-87.2	-34.6	179.8	-66.5	-85.6	0	0	0	113.7	A60 L78 Y79 P198	A60-Y71 HydrophobicContact CB-CD2 4.24Å; Y71-L78 HydrophobicContact CD1-CD2 4.28Å; Y71-L78 HydrophobicContact CE1-CD2 4.47Å; Y71-L78 PolarHBondContact O-N 2.82Å; Y71-Y79 HydrophobicContact CD1-CE1 4.46Å; Y71-Y79 WeakPolarHBondContact O-CB 3.32Å; Y71-Y79 WeakPolarHBondContact O-CD2 3.49Å; Y71-Y79 PolarHBondContact O-N 3.47Å; Y71-P198 HydrophobicContact CD1-CG 3.9Å; Y71-P198 HydrophobicContact CD2-CB 4.09Å; Y71-P198 HydrophobicContact CD2-CG 3.84Å; Y71-P198 HydrophobicContact CE1-CB 4.19Å; Y71-P198 HydrophobicContact CE1-CG 3.77Å; Y71-P198 HydrophobicContact CE2-CB 3.53Å; Y71-P198 HydrophobicContact CE2-CG 3.72Å; Y71-P198 HydrophobicContact CG-CG 3.93Å
72	R	80	Confident	80.3	Confident	92 Å²	92	40.8 Å²	40.8	35%	0.347	20%	0.204	S	C	.	.	S	Bend	trans	-132.2	-5.6	-155.8	-69.4	-176.9	-174.9	81.2	2.1	115.1	D70 E74 Y79	D70-R72 PolarHBondContact OD1-N 2.82Å; D70-R72 VanDerWaalsContact OD1-N 3.12Å; R72-E74 PolarHBondContact O-N 3.15Å; R72-Y79 HydrophobicContact CG-CD2 3.95Å; R72-Y79 HydrophobicContact CG-CE2 4.27Å
73	S	74.6	Confident	78.9	Confident	21 Å²	21	47.8 Å²	47.8	15%	0.147	24%	0.241	C	C	.	.			trans	-57	138.8	177.4	-79.9	0	0	0	0	110.4	D70 K75 V76 G77	D70-S73 VanDerWaalsContact CG-OG 3.24Å; D70-S73 VanDerWaalsContact OD1-CB 3.25Å; D70-S73 WeakPolarHBondContact OD1-CB 3.48Å; D70-S73 PolarHBondContact OD1-N 3.48Å; D70-S73 PolarHBondContact OD1-OG 3.02Å; D70-S73 WeakPolarHBondContact OD2-CB 3.43Å; D70-S73 PolarHBondContact OD2-N 3.47Å; D70-S73 VanDerWaalsContact OD2-N 3.16Å; D70-S73 PolarHBondContact OD2-OG 3.15Å; S73-K75 PolarHBondContact O-N 2.9Å; S73-V76 PolarHBondContact O-N 3.27Å; S73-G77 VanDerWaalsContact O-CA 3.31Å; S73-G77 WeakPolarHBondContact O-CA 3.34Å; S73-G77 PolarHBondContact O-N 2.9Å
74	E	74.4	Confident	77.5	Confident	142 Å²	142	50.2 Å²	50.2	66%	0.664	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	137.1	176.9	-156.9	-162.6	141.5	0	0	109.5	R72 V76	R72-E74 PolarHBondContact O-N 3.15Å; E74-V76 PolarHBondContact O-N 3.49Å
75	K	68.8	Low	76.2	Confident	144 Å²	144	58.4 Å²	58.4	63%	0.626	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-31.1	179.8	-52.1	175.6	-177.3	172.7	0	116.3	S73 R81	S73-K75 PolarHBondContact O-N 2.9Å; K75-R81 WeakPolarHBondContact O-CG 3.48Å
76	V	71.9	Confident	75.3	Confident	22 Å²	22	58.1 Å²	58.1	13%	0.133	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-13.1	-172.1	-57.8	0	0	0	0	114.6	F29 P31 S73 E74 R81	F29-V76 WeakPolarHBondContact O-CG2 3.5Å; P31-V76 HydrophobicContact CB-CG2 4.08Å; S73-V76 PolarHBondContact O-N 3.27Å; E74-V76 PolarHBondContact O-N 3.49Å; V76-R81 PolarHBondContact O-NE 2.95Å; V76-R81 PolarHBondContact O-NH2 3.38Å
77	G	61.8	Low	74.9	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-70.5	153.1	175.7	0	0	0	0	0	112.5	D70 S73 Y79 A80 R81	D70-G77 WeakPolarHBondContact OD1-CA 3.48Å; S73-G77 VanDerWaalsContact O-CA 3.31Å; S73-G77 WeakPolarHBondContact O-CA 3.34Å; S73-G77 PolarHBondContact O-N 2.9Å; G77-Y79 VanDerWaalsContact C-N 3.26Å; G77-Y79 PolarHBondContact O-N 2.83Å; G77-A80 PolarHBondContact O-N 2.7Å; G77-R81 PolarHBondContact O-N 3.08Å
78	L	75.9	Confident	74.8	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-52.1	-44.1	-179.5	-174.3	68.4	0	0	0	112.6	D70 Y71 A80 R81 T82 A197	D70-L78 PolarHBondContact O-N 3.37Å; Y71-L78 HydrophobicContact CD1-CD2 4.28Å; Y71-L78 HydrophobicContact CE1-CD2 4.47Å; Y71-L78 PolarHBondContact O-N 2.82Å; L78-A80 VanDerWaalsContact C-N 3.33Å; L78-R81 PolarHBondContact O-N 2.65Å; L78-T82 HydrophobicContact CD1-CG2 4.34Å; L78-T82 PolarHBondContact O-N 3.46Å; L78-T82 PolarHBondContact O-OG1 3.26Å; L78-A197 HydrophobicContact CD1-CB 4.17Å; L78-A197 HydrophobicContact CD2-CB 3.95Å
79	Y	71.6	Confident	75	Confident	66 Å²	66	63.1 Å²	63.1	26%	0.259	30%	0.296	S	S	.	.	H	α-helix	trans	-75.4	-21.1	-178.8	-58	-29.7	0	0	0	113.6	Y71 R72 G77	Y71-Y79 HydrophobicContact CD1-CE1 4.46Å; Y71-Y79 WeakPolarHBondContact O-CB 3.32Å; Y71-Y79 WeakPolarHBondContact O-CD2 3.49Å; Y71-Y79 PolarHBondContact O-N 3.47Å; R72-Y79 HydrophobicContact CG-CD2 3.95Å; R72-Y79 HydrophobicContact CG-CE2 4.27Å; G77-Y79 VanDerWaalsContact C-N 3.26Å; G77-Y79 PolarHBondContact O-N 2.83Å
80	A	61.2	Low	75.4	Confident	61 Å²	61	66.7 Å²	66.7	50%	0.504	31%	0.314	S	S	.	.	H	α-helix	trans	-81.8	-28.6	173.5	0	0	0	0	0	111.8	G77 L78	G77-A80 PolarHBondContact O-N 2.7Å; L78-A80 VanDerWaalsContact C-N 3.33Å
81	R	67.7	Low	76	Confident	101 Å²	101	69.9 Å²	69.9	38%	0.381	33%	0.331	S	S	.	.	H	α-helix	trans	-96.4	-16.8	-177.3	-68.3	-171.6	-68.8	120.6	-0.6	114.4	K75 V76 G77 L78	K75-R81 WeakPolarHBondContact O-CG 3.48Å; V76-R81 PolarHBondContact O-NE 2.95Å; V76-R81 PolarHBondContact O-NH2 3.38Å; G77-R81 PolarHBondContact O-N 3.08Å; L78-R81 PolarHBondContact O-N 2.65Å
82	T	68.1	Low	76.8	Confident	34 Å²	34	67.4 Å²	67.4	21%	0.209	32%	0.322	C	S	.	.			trans	-152	151.9	-169.9	75.5	0	0	0	0	112.8	L78 R84	L78-T82 HydrophobicContact CD1-CG2 4.34Å; L78-T82 PolarHBondContact O-N 3.46Å; L78-T82 PolarHBondContact O-OG1 3.26Å; T82-R84 HydrophobicContact CG2-CG 4.43Å; T82-R84 PolarHBondContact O-N 2.88Å; T82-R84 VanDerWaalsContact OG1-CB 3.31Å; T82-R84 WeakPolarHBondContact OG1-CB 3.39Å; T82-R84 WeakPolarHBondContact OG1-CG 3.17Å; T82-R84 PolarHBondContact OG1-N 3.43Å
83	D	68.4	Low	77.6	Confident	146 Å²	146	66 Å²	66	78%	0.781	32%	0.32	S	S	*	.			trans	-77.8	10.4	168.1	-67.4	-46.2	0	0	0	113.6	R85	D83-R85 PolarHBondContact O-N 3.35Å
84	R	68.8	Low	78.6	Confident	52 Å²	52	74.4 Å²	74.4	20%	0.196	35%	0.349	C	S	.	.			trans	-62.1	129	-176.4	-66.7	174.7	-175	-164	4	109.7	T82 Q194 G195	T82-R84 HydrophobicContact CG2-CG 4.43Å; T82-R84 PolarHBondContact O-N 2.88Å; T82-R84 VanDerWaalsContact OG1-CB 3.31Å; T82-R84 WeakPolarHBondContact OG1-CB 3.39Å; T82-R84 WeakPolarHBondContact OG1-CG 3.17Å; T82-R84 PolarHBondContact OG1-N 3.43Å; R84-Q194 PolarHBondContact NH2-O 3.05Å; R84-G195 PolarHBondContact NH1-O 3.24Å
85	R	68.5	Low	79.6	Confident	177 Å²	177	69.5 Å²	69.5	67%	0.668	33%	0.33	S	S	*	.			trans	-106.9	138.5	173.5	-64.4	-66	-179.7	-105	-0.8	109.3	D83	D83-R85 PolarHBondContact O-N 3.35Å
86	P	76.8	Confident	80.9	Confident	31 Å²	31	65.2 Å²	65.2	20%	0.201	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65.9	149.9	176.3	28.7	-34.4	0	0	0	110.5	F231	P86-F231 HydrophobicContact CB-CB 4.49Å; P86-F231 HydrophobicContact CB-CD2 3.27Å; P86-F231 HydrophobicContact CB-CE2 3.49Å; P86-F231 VanDerWaalsContact CB-CE2 3.49Å; P86-F231 HydrophobicContact CB-CG 3.91Å; P86-F231 HydrophobicContact CB-CZ 4.29Å; P86-F231 HydrophobicContact CG-CB 4.23Å; P86-F231 HydrophobicContact CG-CD1 3.88Å; P86-F231 HydrophobicContact CG-CD2 3.38Å; P86-F231 HydrophobicContact CG-CE1 4.02Å; P86-F231 HydrophobicContact CG-CE2 3.53Å; P86-F231 HydrophobicContact CG-CG 3.55Å; P86-F231 HydrophobicContact CG-CZ 3.86Å
87	I	86.1	Confident	82	Confident	37 Å²	37	67.9 Å²	67.9	19%	0.19	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-61	135.7	174.1	-170.1	161.7	0	0	0	110.8	F92 V98 Y102 F230	I87-F92 HydrophobicContact CD1-CB 4.04Å; I87-F92 HydrophobicContact CD1-CD2 3.69Å; I87-F92 HydrophobicContact CD1-CG 4.37Å; I87-F92 HydrophobicContact CG1-CB 4.37Å; I87-V98 HydrophobicContact CD1-CG1 3.67Å; I87-V98 HydrophobicContact CG1-CG1 4.31Å; I87-Y102 HydrophobicContact CB-CD2 4.47Å; I87-Y102 HydrophobicContact CD1-CD2 3.71Å; I87-Y102 HydrophobicContact CD1-CG 4.08Å; I87-Y102 HydrophobicContact CG2-CD2 4.01Å; I87-Y102 HydrophobicContact CG2-CE2 4.01Å; I87-F230 HydrophobicContact CG2-CD1 3.76Å; I87-F230 HydrophobicContact CG2-CD2 4.21Å; I87-F230 HydrophobicContact CG2-CE1 3.77Å; I87-F230 HydrophobicContact CG2-CE2 4.21Å; I87-F230 HydrophobicContact CG2-CG 3.99Å; I87-F230 HydrophobicContact CG2-CZ 4Å
88	Q	90.6	Very high	83.4	Confident	77 Å²	77	69.3 Å²	69.3	36%	0.36	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-83.3	139.7	172.5	-58.7	-60.9	-46.7	0	0	110	I90 D91 F92 F231	Q88-I90 VanDerWaalsContact C-N 3.29Å; Q88-I90 HydrophobicContact CB-CG2 4.36Å; Q88-I90 PolarHBondContact O-N 3.38Å; Q88-D91 HydrophobicContact CB-CB 4.41Å; Q88-D91 WeakPolarHBondContact CB-OD2 3.38Å; Q88-D91 PolarHBondContact O-N 2.88Å; Q88-F92 PolarHBondContact O-N 3.08Å; Q88-F231 WeakPolarHBondContact CA-O 3.49Å; Q88-F231 PolarHBondContact OE1-O 3.39Å
89	H	93.6	Very high	84.4	Confident	44 Å²	44	70.9 Å²	70.9	20%	0.204	35%	0.353	C	S	.	.	H	α-helix	trans	-52.6	-49	177.7	178.6	88.9	0	0	0	111.5	D91 F92 I93 F230 F231 D233	H89-D91 VanDerWaalsContact C-N 3.29Å; H89-D91 PolarHBondContact O-N 3.16Å; H89-F92 PolarHBondContact O-N 3Å; H89-I93 WeakPolarHBondContact NE2-CG1 3.18Å; H89-I93 WeakPolarHBondContact O-CG1 3.43Å; H89-I93 PolarHBondContact O-N 3.22Å; H89-F230 HydrophobicContact CB-CB 4.04Å; H89-F231 PolarHBondContact N-O 2.86Å; H89-D233 HydrophobicContact CB-CB 3.81Å; H89-D233 VanDerWaalsContact CE1-CG 3.5Å; H89-D233 IonicContact CE1-OD1 3.38Å; H89-D233 IonicContact CE1-OD2 3.06Å; H89-D233 PolarHBondContact CE1-OD2 3.33Å; H89-D233 VanDerWaalsContact CE1-OD2 3.25Å; H89-D233 IonicContact CG-OD2 3.16Å; H89-D233 IonicContact ND1-OD1 2.68Å; H89-D233 IonicContact ND1-OD2 3.88Å; H89-D233 PolarHBondContact ND1-OD2 2.77Å
90	I	94.2	Very high	85.5	Confident	76 Å²	76	70.2 Å²	70.2	39%	0.39	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-36.9	-175.2	-164.3	59.5	0	0	0	112.6	Q88 I93 R94	Q88-I90 VanDerWaalsContact C-N 3.29Å; Q88-I90 HydrophobicContact CB-CG2 4.36Å; Q88-I90 PolarHBondContact O-N 3.38Å; I90-I93 PolarHBondContact O-N 3.39Å; I90-R94 HydrophobicContact CD1-CG 4.16Å; I90-R94 VanDerWaalsContact CD1-NE 3.34Å; I90-R94 HydrophobicContact CG1-CG 4.39Å; I90-R94 WeakPolarHBondContact O-CB 3.36Å; I90-R94 WeakPolarHBondContact O-CG 3.42Å; I90-R94 PolarHBondContact O-N 3.19Å
91	D	94	Very high	87	Confident	82 Å²	82	71.2 Å²	71.2	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-67.5	-42.7	178.1	-62.6	-25.8	0	0	0	110.8	Q88 H89 R94 S95 V98	Q88-D91 HydrophobicContact CB-CB 4.41Å; Q88-D91 WeakPolarHBondContact CB-OD2 3.38Å; Q88-D91 PolarHBondContact O-N 2.88Å; H89-D91 VanDerWaalsContact C-N 3.29Å; H89-D91 PolarHBondContact O-N 3.16Å; D91-R94 PolarHBondContact O-N 3.08Å; D91-S95 WeakPolarHBondContact O-CB 3.39Å; D91-S95 PolarHBondContact O-N 3.44Å; D91-V98 HydrophobicContact CB-CG1 4.17Å
92	F	96	Very high	88.3	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-43.4	176.2	-172.1	-82.7	0	0	0	111.8	I87 Q88 H89 R99 Y102 W103 L167 L224 K225 F230	I87-F92 HydrophobicContact CD1-CB 4.04Å; I87-F92 HydrophobicContact CD1-CD2 3.69Å; I87-F92 HydrophobicContact CD1-CG 4.37Å; I87-F92 HydrophobicContact CG1-CB 4.37Å; Q88-F92 PolarHBondContact O-N 3.08Å; H89-F92 PolarHBondContact O-N 3Å; F92-R99 HydrophobicContact CD1-CG 3.89Å; F92-R99 HydrophobicContact CD2-CG 3.89Å; F92-R99 HydrophobicContact CE1-CG 3.72Å; F92-R99 HydrophobicContact CE2-CB 4.13Å; F92-R99 HydrophobicContact CE2-CG 3.77Å; F92-R99 HydrophobicContact CG-CG 3.96Å; F92-R99 HydrophobicContact CZ-CB 4.22Å; F92-R99 HydrophobicContact CZ-CG 3.69Å; F92-R99 VanDerWaalsContact O-CD 3.29Å; F92-R99 WeakPolarHBondContact O-CD 3.49Å; F92-R99 WeakPolarHBondContact O-CG 3.26Å; F92-R99 PolarHBondContact O-NH1 3.18Å; F92-Y102 HydrophobicContact CD2-CD1 4.3Å; F92-Y102 HydrophobicContact CD2-CG 4.05Å; F92-Y102 AromaticContact CE2-CD1 3.54Å; F92-Y102 HydrophobicContact CE2-CD1 3.54Å; F92-Y102 HydrophobicContact CE2-CE1 4.3Å; F92-Y102 AromaticContact CE2-CG 3.73Å; F92-Y102 HydrophobicContact CE2-CG 3.73Å; F92-Y102 HydrophobicContact CZ-CD1 4.43Å; F92-W103 AromaticContact CZ-NE1 3.7Å; F92-L167 HydrophobicContact CE1-CD1 4.23Å; F92-L224 WeakPolarHBondContact CZ-O 3.43Å; F92-K225 HydrophobicContact CD1-CB 4.38Å; F92-K225 HydrophobicContact CD1-CD 3.94Å; F92-K225 HydrophobicContact CD1-CG 3.84Å; F92-K225 HydrophobicContact CE1-CB 3.59Å; F92-K225 HydrophobicContact CE1-CD 4.02Å; F92-K225 HydrophobicContact CE1-CG 3.42Å; F92-K225 VanDerWaalsContact CE1-CG 3.42Å; F92-K225 HydrophobicContact CZ-CB 4.11Å; F92-K225 HydrophobicContact CZ-CG 3.91Å; F92-F230 HydrophobicContact CB-CD2 4.22Å; F92-F230 HydrophobicContact CB-CE2 3.98Å; F92-F230 HydrophobicContact CD1-CE2 4.09Å; F92-F230 AromaticContact CD2-CE2 3.74Å; F92-F230 HydrophobicContact CD2-CE2 3.74Å; F92-F230 HydrophobicContact CD2-CZ 4.26Å; F92-F230 HydrophobicContact CE2-CE2 4.23Å; F92-F230 HydrophobicContact CE2-CZ 4.47Å; F92-F230 HydrophobicContact CG-CD2 4.34Å; F92-F230 AromaticContact CG-CE2 3.64Å; F92-F230 HydrophobicContact CG-CE2 3.64Å
93	I	95.8	Very high	89.6	Confident	61 Å²	61	65.4 Å²	65.4	31%	0.313	32%	0.317	S	S	.	.	H	α-helix	trans	-66	-44.5	179.9	-63.4	-56.1	0	0	0	111	H89 I90 R99 L167 K225	H89-I93 WeakPolarHBondContact NE2-CG1 3.18Å; H89-I93 WeakPolarHBondContact O-CG1 3.43Å; H89-I93 PolarHBondContact O-N 3.22Å; I90-I93 PolarHBondContact O-N 3.39Å; I93-R99 PolarHBondContact O-NH1 2.95Å; I93-L167 HydrophobicContact CD1-CD1 3.53Å; I93-L167 HydrophobicContact CD1-CD2 3.63Å; I93-L167 HydrophobicContact CD1-CG 4.22Å; I93-K225 HydrophobicContact CD1-CD 4.49Å
94	R	95.7	Very high	90.8	Very high	199 Å²	199	58.4 Å²	58.4	75%	0.751	28%	0.28	S	S	*	.	H	α-helix	trans	-83.2	-28.5	-171.1	-69	-177.1	174.8	175.7	-0.9	114.6	I90 D91	I90-R94 HydrophobicContact CD1-CG 4.16Å; I90-R94 VanDerWaalsContact CD1-NE 3.34Å; I90-R94 HydrophobicContact CG1-CG 4.39Å; I90-R94 WeakPolarHBondContact O-CB 3.36Å; I90-R94 WeakPolarHBondContact O-CG 3.42Å; I90-R94 PolarHBondContact O-N 3.19Å; D91-R94 PolarHBondContact O-N 3.08Å
95	S	96.4	Very high	91.9	Very high	38 Å²	38	58 Å²	58	27%	0.266	28%	0.279	S	S	.	.			trans	-117.9	114.4	-167.8	177.3	0	0	0	0	113.2	D91 P97 V98 R99	D91-S95 WeakPolarHBondContact O-CB 3.39Å; D91-S95 PolarHBondContact O-N 3.44Å; S95-P97 WeakPolarHBondContact OG-CD 3.46Å; S95-V98 PolarHBondContact O-N 3.25Å; S95-V98 WeakPolarHBondContact OG-CG2 3.36Å; S95-V98 PolarHBondContact OG-N 3.39Å; S95-R99 WeakPolarHBondContact O-CG 3.5Å; S95-R99 PolarHBondContact O-N 2.84Å
96	A	95.5	Very high	93.1	Very high	55 Å²	55	49.8 Å²	49.8	46%	0.455	25%	0.248	S	C	.	.	H	α-helix	trans	-60.9	-42.6	173.6	0	0	0	0	0	112.9	V98 R99 Q100	A96-V98 VanDerWaalsContact C-N 3.3Å; A96-V98 PolarHBondContact O-N 3.33Å; A96-R99 WeakPolarHBondContact O-CB 3.34Å; A96-R99 PolarHBondContact O-N 3.38Å; A96-R99 VanDerWaalsContact O-N 3.15Å; A96-Q100 PolarHBondContact O-N 2.93Å
97	P	94.4	Very high	93.9	Very high	77 Å²	77	49.4 Å²	49.4	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-58.2	-37.9	171.9	-27.5	35.4	0	0	0	113.9	S95 Q100 R101	S95-P97 WeakPolarHBondContact OG-CD 3.46Å; P97-Q100 WeakPolarHBondContact O-CB 2.87Å; P97-Q100 PolarHBondContact O-N 3.38Å; P97-R101 PolarHBondContact O-N 2.89Å
98	V	93.2	Very high	94.2	Very high	30 Å²	30	49.1 Å²	49.1	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-41	175.6	169.5	0	0	0	0	111.1	I87 D91 S95 A96 R101 Y102	I87-V98 HydrophobicContact CD1-CG1 3.67Å; I87-V98 HydrophobicContact CG1-CG1 4.31Å; D91-V98 HydrophobicContact CB-CG1 4.17Å; S95-V98 PolarHBondContact O-N 3.25Å; S95-V98 WeakPolarHBondContact OG-CG2 3.36Å; S95-V98 PolarHBondContact OG-N 3.39Å; A96-V98 VanDerWaalsContact C-N 3.3Å; A96-V98 PolarHBondContact O-N 3.33Å; V98-R101 PolarHBondContact O-N 3.49Å; V98-Y102 WeakPolarHBondContact O-CB 3.48Å; V98-Y102 PolarHBondContact O-N 2.99Å
99	R	95.4	Very high	94.2	Very high	44 Å²	44	45.6 Å²	45.6	17%	0.166	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-41.8	173.7	-66.2	-168.4	-69.3	-86.4	7.1	112.1	F92 I93 S95 A96 R101 Y102 W103	F92-R99 HydrophobicContact CD1-CG 3.89Å; F92-R99 HydrophobicContact CD2-CG 3.89Å; F92-R99 HydrophobicContact CE1-CG 3.72Å; F92-R99 HydrophobicContact CE2-CB 4.13Å; F92-R99 HydrophobicContact CE2-CG 3.77Å; F92-R99 HydrophobicContact CG-CG 3.96Å; F92-R99 HydrophobicContact CZ-CB 4.22Å; F92-R99 HydrophobicContact CZ-CG 3.69Å; F92-R99 VanDerWaalsContact O-CD 3.29Å; F92-R99 WeakPolarHBondContact O-CD 3.49Å; F92-R99 WeakPolarHBondContact O-CG 3.26Å; F92-R99 PolarHBondContact O-NH1 3.18Å; I93-R99 PolarHBondContact O-NH1 2.95Å; S95-R99 WeakPolarHBondContact O-CG 3.5Å; S95-R99 PolarHBondContact O-N 2.84Å; A96-R99 WeakPolarHBondContact O-CB 3.34Å; A96-R99 PolarHBondContact O-N 3.38Å; A96-R99 VanDerWaalsContact O-N 3.15Å; R99-R101 VanDerWaalsContact C-N 3.34Å; R99-R101 PolarHBondContact O-N 3.36Å; R99-Y102 PolarHBondContact O-N 3.21Å; R99-W103 WeakPolarHBondContact O-CB 3.4Å; R99-W103 VanDerWaalsContact O-CD1 3.24Å; R99-W103 PolarHBondContact O-N 3.1Å
100	Q	95.5	Very high	94.2	Very high	52 Å²	52	44.2 Å²	44.2	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-56.4	-50.3	175.7	-170.5	-171.1	25.2	0	0	110.7	A96 P97 W103 A104 V209 R210 F212 V214	A96-Q100 PolarHBondContact O-N 2.93Å; P97-Q100 WeakPolarHBondContact O-CB 2.87Å; P97-Q100 PolarHBondContact O-N 3.38Å; Q100-W103 PolarHBondContact O-N 3.28Å; Q100-A104 WeakPolarHBondContact O-CB 3.23Å; Q100-A104 PolarHBondContact O-N 3.32Å; Q100-V209 HydrophobicContact CG-CG1 4.22Å; Q100-R210 PolarHBondContact NE2-O 2.82Å; Q100-F212 HydrophobicContact CG-CB 4.47Å; Q100-F212 WeakPolarHBondContact CG-O 3.34Å; Q100-F212 PolarHBondContact NE2-O 3.49Å; Q100-V214 HydrophobicContact CB-CG2 4.34Å; Q100-V214 HydrophobicContact CG-CG2 4.43Å
101	R	92.8	Very high	94.1	Very high	83 Å²	83	44.1 Å²	44.1	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-60.2	-47.6	176.6	-167.3	-171.6	-54.5	164.3	-2.6	113.3	P97 V98 R99 W103 R105 E206 V209	P97-R101 PolarHBondContact O-N 2.89Å; V98-R101 PolarHBondContact O-N 3.49Å; R99-R101 VanDerWaalsContact C-N 3.34Å; R99-R101 PolarHBondContact O-N 3.36Å; R101-W103 VanDerWaalsContact C-N 3.35Å; R101-W103 PolarHBondContact O-N 2.97Å; R101-R105 WeakPolarHBondContact O-CD 3.34Å; R101-R105 WeakPolarHBondContact O-CG 3.41Å; R101-R105 PolarHBondContact O-N 3.47Å; R101-R105 VanDerWaalsContact O-N 3.16Å; R101-E206 WeakPolarHBondContact CD-OE1 3.41Å; R101-E206 IonicContact CZ-OE1 3.41Å; R101-E206 IonicContact CZ-OE2 2.83Å; R101-E206 VanDerWaalsContact NE-CD 3.26Å; R101-E206 IonicContact NE-OE1 2.73Å; R101-E206 PolarHBondContact NE-OE1 2.91Å; R101-E206 IonicContact NE-OE2 3.01Å; R101-E206 PolarHBondContact NE-OE2 3.49Å; R101-E206 IonicContact NH1-OE1 3.16Å; R101-E206 PolarHBondContact NH1-OE1 3.18Å; R101-E206 IonicContact NH2-OE1 2.86Å; R101-E206 PolarHBondContact NH2-OE1 3.18Å; R101-E206 IonicContact NH2-OE2 3.1Å; R101-E206 PolarHBondContact NH2-OE2 3.1Å; R101-V209 VanDerWaalsContact CA-CG1 3.4Å; R101-V209 HydrophobicContact CB-CG1 3.94Å; R101-V209 HydrophobicContact CG-CG1 4.25Å; R101-V209 HydrophobicContact CG-CG2 4.2Å
102	Y	93.8	Very high	94	Very high	12 Å²	12	43 Å²	43	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-57.5	-49.9	176.7	178.7	-89.7	0	0	0	111.3	I87 F92 V98 R99 R105 N106 M161 P226 F230	I87-Y102 HydrophobicContact CB-CD2 4.47Å; I87-Y102 HydrophobicContact CD1-CD2 3.71Å; I87-Y102 HydrophobicContact CD1-CG 4.08Å; I87-Y102 HydrophobicContact CG2-CD2 4.01Å; I87-Y102 HydrophobicContact CG2-CE2 4.01Å; F92-Y102 HydrophobicContact CD2-CD1 4.3Å; F92-Y102 HydrophobicContact CD2-CG 4.05Å; F92-Y102 AromaticContact CE2-CD1 3.54Å; F92-Y102 HydrophobicContact CE2-CD1 3.54Å; F92-Y102 HydrophobicContact CE2-CE1 4.3Å; F92-Y102 AromaticContact CE2-CG 3.73Å; F92-Y102 HydrophobicContact CE2-CG 3.73Å; F92-Y102 HydrophobicContact CZ-CD1 4.43Å; V98-Y102 WeakPolarHBondContact O-CB 3.48Å; V98-Y102 PolarHBondContact O-N 2.99Å; R99-Y102 PolarHBondContact O-N 3.21Å; Y102-R105 PolarHBondContact O-N 3.35Å; Y102-N106 HydrophobicContact CE1-CB 4.25Å; Y102-N106 VanDerWaalsContact O-CB 3.29Å; Y102-N106 WeakPolarHBondContact O-CB 3.4Å; Y102-N106 PolarHBondContact O-N 3.43Å; Y102-M161 WeakPolarHBondContact OH-CE 3.17Å; Y102-P226 HydrophobicContact CE1-CG 3.66Å; Y102-P226 WeakPolarHBondContact OH-CG 3.17Å; Y102-F230 HydrophobicContact CD2-CZ 4.34Å; Y102-F230 HydrophobicContact CE1-CZ 4.18Å; Y102-F230 AromaticContact CE2-CE1 3.89Å; Y102-F230 HydrophobicContact CE2-CE1 3.89Å; Y102-F230 AromaticContact CE2-CZ 3.77Å; Y102-F230 HydrophobicContact CE2-CZ 3.77Å; Y102-F230 AromaticContact CZ-CE1 3.93Å; Y102-F230 AromaticContact CZ-CZ 3.7Å
103	W	95.8	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-35.2	-175.9	-79.6	124.2	0	0	0	113.3	F92 R99 Q100 R101 N106 F107 V164 L178 F182 F212 V214 L224 P226	F92-W103 AromaticContact CZ-NE1 3.7Å; R99-W103 WeakPolarHBondContact O-CB 3.4Å; R99-W103 VanDerWaalsContact O-CD1 3.24Å; R99-W103 PolarHBondContact O-N 3.1Å; Q100-W103 PolarHBondContact O-N 3.28Å; R101-W103 VanDerWaalsContact C-N 3.35Å; R101-W103 PolarHBondContact O-N 2.97Å; W103-N106 HydrophobicContact CE3-CB 4.16Å; W103-N106 PolarHBondContact O-N 3.5Å; W103-F107 WeakPolarHBondContact O-CB 3.44Å; W103-F107 PolarHBondContact O-N 2.8Å; W103-V164 HydrophobicContact CH2-CG1 4.3Å; W103-V164 HydrophobicContact CH2-CG2 4.09Å; W103-V164 HydrophobicContact CZ2-CG1 4.37Å; W103-L178 HydrophobicContact CD2-CD2 4.46Å; W103-L178 HydrophobicContact CE3-CD2 4.09Å; W103-L178 HydrophobicContact CH2-CD2 3.51Å; W103-L178 HydrophobicContact CZ2-CD2 3.88Å; W103-L178 HydrophobicContact CZ3-CD2 3.64Å; W103-F182 HydrophobicContact CB-CE1 4.09Å; W103-F182 HydrophobicContact CB-CZ 3.7Å; W103-F182 HydrophobicContact CD2-CE2 4.35Å; W103-F182 AromaticContact CD2-CZ 3.75Å; W103-F182 HydrophobicContact CD2-CZ 3.75Å; W103-F182 AromaticContact CE3-CE2 3.82Å; W103-F182 HydrophobicContact CE3-CE2 3.82Å; W103-F182 AromaticContact CE3-CZ 3.7Å; W103-F182 HydrophobicContact CE3-CZ 3.7Å; W103-F182 HydrophobicContact CG-CE1 4.48Å; W103-F182 AromaticContact CG-CZ 3.8Å; W103-F182 HydrophobicContact CG-CZ 3.8Å; W103-F182 HydrophobicContact CZ3-CE2 4.38Å; W103-F212 HydrophobicContact CB-CE1 3.99Å; W103-V214 HydrophobicContact CB-CG1 4.42Å; W103-V214 HydrophobicContact CB-CG2 3.93Å; W103-V214 VanDerWaalsContact CD1-CG1 3.5Å; W103-V214 HydrophobicContact CG-CG1 4.07Å; W103-V214 HydrophobicContact CG-CG2 4.37Å; W103-L224 HydrophobicContact CZ2-CB 4.28Å; W103-L224 PolarHBondContact NE1-O 2.89Å; W103-P226 HydrophobicContact CH2-CB 4.19Å; W103-P226 HydrophobicContact CH2-CG 4.43Å; W103-P226 VanDerWaalsContact CZ2-CD 3.43Å
104	A	94.3	Very high	93.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-47.9	173.5	0	0	0	0	0	111.1	Q100 F107 V108 W189 L204 V209 F212	Q100-A104 WeakPolarHBondContact O-CB 3.23Å; Q100-A104 PolarHBondContact O-N 3.32Å; A104-F107 WeakPolarHBondContact O-CB 3.46Å; A104-F107 PolarHBondContact O-N 2.83Å; A104-V108 WeakPolarHBondContact O-CG2 3.49Å; A104-V108 PolarHBondContact O-N 3.06Å; A104-W189 HydrophobicContact CB-CH2 4.44Å; A104-W189 HydrophobicContact CB-CZ2 4.24Å; A104-L204 HydrophobicContact CB-CD1 4.19Å; A104-V209 HydrophobicContact CB-CB 4.47Å; A104-V209 HydrophobicContact CB-CG1 3.97Å; A104-V209 HydrophobicContact CB-CG2 4.18Å; A104-F212 HydrophobicContact CB-CB 3.92Å; A104-F212 HydrophobicContact CB-CD1 3.65Å; A104-F212 HydrophobicContact CB-CD2 4.07Å; A104-F212 HydrophobicContact CB-CE1 4.12Å; A104-F212 HydrophobicContact CB-CE2 4.5Å; A104-F212 HydrophobicContact CB-CG 3.6Å
105	R	91.9	Very high	93.7	Very high	44 Å²	44	35.5 Å²	35.5	17%	0.166	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-45.2	177.5	-65.8	165.9	61.6	152.2	16.2	111.2	R101 Y102 F107 V108 G109 D201 V202 L204	R101-R105 WeakPolarHBondContact O-CD 3.34Å; R101-R105 WeakPolarHBondContact O-CG 3.41Å; R101-R105 PolarHBondContact O-N 3.47Å; R101-R105 VanDerWaalsContact O-N 3.16Å; Y102-R105 PolarHBondContact O-N 3.35Å; R105-F107 VanDerWaalsContact C-N 3.35Å; R105-F107 PolarHBondContact O-N 2.9Å; R105-V108 PolarHBondContact O-N 3.11Å; R105-G109 PolarHBondContact O-N 3.36Å; R105-D201 VanDerWaalsContact CB-OD1 3.23Å; R105-D201 WeakPolarHBondContact CB-OD1 3.36Å; R105-D201 IonicContact CZ-OD1 3.16Å; R105-D201 VanDerWaalsContact CZ-OD1 3.32Å; R105-D201 IonicContact CZ-OD2 2.61Å; R105-D201 IonicContact NE-OD1 2.68Å; R105-D201 PolarHBondContact NE-OD1 3.04Å; R105-D201 IonicContact NE-OD2 3.38Å; R105-D201 VanDerWaalsContact NH2-CG 3.3Å; R105-D201 IonicContact NH2-OD1 2.8Å; R105-D201 PolarHBondContact NH2-OD1 2.75Å; R105-D201 IonicContact NH2-OD2 3.55Å; R105-D201 PolarHBondContact NH2-OD2 3.26Å; R105-V202 HydrophobicContact CB-CG2 4.32Å; R105-V202 WeakPolarHBondContact CB-O 3.05Å; R105-V202 WeakPolarHBondContact CG-O 3.34Å; R105-V202 PolarHBondContact NE-O 2.74Å; R105-V202 PolarHBondContact NH2-O 3.3Å; R105-V202 WeakPolarHBondContact O-CG2 3.3Å; R105-L204 HydrophobicContact CB-CD1 4.42Å; R105-L204 HydrophobicContact CG-CB 3.96Å; R105-L204 HydrophobicContact CG-CD1 3.9Å; R105-L204 HydrophobicContact CG-CG 3.97Å
106	N	92.9	Very high	93.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-38.5	177.1	-174.7	-97.3	0	0	0	112.7	Y102 W103 V108 G109 W110 M161 R175	Y102-N106 HydrophobicContact CE1-CB 4.25Å; Y102-N106 VanDerWaalsContact O-CB 3.29Å; Y102-N106 WeakPolarHBondContact O-CB 3.4Å; Y102-N106 PolarHBondContact O-N 3.43Å; W103-N106 HydrophobicContact CE3-CB 4.16Å; W103-N106 PolarHBondContact O-N 3.5Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 2.79Å; N106-G109 PolarHBondContact O-N 3.18Å; N106-W110 VanDerWaalsContact O-CB 3.22Å; N106-W110 WeakPolarHBondContact O-CB 3.43Å; N106-W110 PolarHBondContact O-N 2.89Å; N106-M161 WeakPolarHBondContact ND2-CE 3.24Å; N106-R175 VanDerWaalsContact OD1-CZ 3.29Å; N106-R175 PolarHBondContact OD1-NE 2.88Å; N106-R175 PolarHBondContact OD1-NH2 2.79Å
107	F	94.3	Very high	93.8	Very high	23 Å²	23	37.7 Å²	37.7	10%	0.101	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-45.1	177.1	168.6	-104	0	0	0	111.7	W103 A104 R105 P111 Q179 F182 Q183 W189 F212	W103-F107 WeakPolarHBondContact O-CB 3.44Å; W103-F107 PolarHBondContact O-N 2.8Å; A104-F107 WeakPolarHBondContact O-CB 3.46Å; A104-F107 PolarHBondContact O-N 2.83Å; R105-F107 VanDerWaalsContact C-N 3.35Å; R105-F107 PolarHBondContact O-N 2.9Å; F107-P111 WeakPolarHBondContact O-CD 3.27Å; F107-Q179 VanDerWaalsContact CD2-CD 3.47Å; F107-Q179 HydrophobicContact CE2-CG 4.48Å; F107-Q179 PolarHBondContact O-NE2 3.21Å; F107-Q179 VanDerWaalsContact O-NE2 3.07Å; F107-F182 HydrophobicContact CB-CD2 4.3Å; F107-F182 HydrophobicContact CD2-CB 3.37Å; F107-F182 AromaticContact CD2-CD2 3.84Å; F107-F182 HydrophobicContact CD2-CD2 3.84Å; F107-F182 AromaticContact CD2-CG 3.83Å; F107-F182 HydrophobicContact CD2-CG 3.83Å; F107-F182 HydrophobicContact CE2-CB 3.52Å; F107-F182 HydrophobicContact CE2-CG 4.46Å; F107-F182 HydrophobicContact CG-CB 4.26Å; F107-F182 HydrophobicContact CG-CD2 4.48Å; F107-F182 HydrophobicContact CG-CG 4.45Å; F107-F182 HydrophobicContact CZ-CB 4.49Å; F107-Q183 HydrophobicContact CE2-CG 3.92Å; F107-Q183 HydrophobicContact CZ-CG 4.11Å; F107-W189 HydrophobicContact CD1-CE3 4.05Å; F107-W189 AromaticContact CD1-CZ3 3.83Å; F107-W189 HydrophobicContact CD1-CZ3 3.83Å; F107-W189 AromaticContact CE1-CE3 3.92Å; F107-W189 HydrophobicContact CE1-CE3 3.92Å; F107-W189 HydrophobicContact CE1-CZ3 4.07Å; F107-F212 HydrophobicContact CB-CE2 4.03Å; F107-F212 HydrophobicContact CB-CZ 3.74Å; F107-F212 AromaticContact CD1-CE2 3.73Å; F107-F212 HydrophobicContact CD1-CE2 3.73Å; F107-F212 HydrophobicContact CD1-CZ 4.31Å; F107-F212 HydrophobicContact CE1-CE2 4.38Å; F107-F212 AromaticContact CG-CE2 3.88Å; F107-F212 HydrophobicContact CG-CE2 3.88Å; F107-F212 AromaticContact CG-CZ 3.98Å; F107-F212 HydrophobicContact CG-CZ 3.98Å
108	V	91.8	Very high	94	Very high	32 Å²	32	34.4 Å²	34.4	19%	0.194	18%	0.175	C	C	.	.	H	α-helix	trans	-66.9	-43.4	177	173.7	0	0	0	0	111.8	A104 R105 N106 P111 W189 A191 A193 V202 L204	A104-V108 WeakPolarHBondContact O-CG2 3.49Å; A104-V108 PolarHBondContact O-N 3.06Å; R105-V108 PolarHBondContact O-N 3.11Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 2.79Å; V108-P111 WeakPolarHBondContact O-CD 3.37Å; V108-W189 HydrophobicContact CG2-CH2 3.52Å; V108-W189 HydrophobicContact CG2-CZ3 3.37Å; V108-A191 HydrophobicContact CG2-CB 4.43Å; V108-A193 HydrophobicContact CG1-CB 3.34Å; V108-V202 HydrophobicContact CB-CG2 3.79Å; V108-V202 HydrophobicContact CG1-CG2 3.75Å; V108-L204 HydrophobicContact CG2-CD1 4.04Å
109	G	90.8	Very high	94.2	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-74.2	-23.7	-178.3	0	0	0	0	0	114.5	R105 N106 Q112 F113 G200	R105-G109 PolarHBondContact O-N 3.36Å; N106-G109 PolarHBondContact O-N 3.18Å; G109-Q112 PolarHBondContact O-N 2.82Å; G109-F113 WeakPolarHBondContact O-CB 3.43Å; G109-F113 PolarHBondContact O-N 3.16Å; G109-G200 WeakPolarHBondContact CA-O 3.45Å
110	W	93.4	Very high	94.4	Very high	16 Å²	16	33.8 Å²	33.8	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-45.9	-170.2	175	-103.3	0	0	0	115.4	N106 Q112 F113 S114 M161 H162 R175 Q179	N106-W110 VanDerWaalsContact O-CB 3.22Å; N106-W110 WeakPolarHBondContact O-CB 3.43Å; N106-W110 PolarHBondContact O-N 2.89Å; W110-Q112 VanDerWaalsContact C-N 3.33Å; W110-Q112 PolarHBondContact O-N 2.82Å; W110-F113 HydrophobicContact CE3-CD1 4.38Å; W110-F113 HydrophobicContact CZ3-CD1 4.23Å; W110-F113 PolarHBondContact O-N 2.88Å; W110-S114 VanDerWaalsContact O-CB 3.29Å; W110-S114 WeakPolarHBondContact O-CB 3.47Å; W110-S114 PolarHBondContact O-N 2.88Å; W110-S114 PolarHBondContact O-OG 2.8Å; W110-M161 HydrophobicContact CZ3-CB 4.48Å; W110-M161 WeakPolarHBondContact CZ3-O 3.27Å; W110-H162 HydrophobicContact CH2-CB 4.27Å; W110-H162 AromaticContact CH2-CD2 3.89Å; W110-H162 AromaticContact CH2-CE1 3.67Å; W110-H162 AromaticContact CH2-CG 3.67Å; W110-H162 AromaticContact CH2-ND1 3.55Å; W110-H162 AromaticContact CH2-NE2 3.89Å; W110-R175 HydrophobicContact CD2-CG 3.83Å; W110-R175 HydrophobicContact CE3-CG 3.64Å; W110-R175 HydrophobicContact CH2-CB 3.73Å; W110-R175 HydrophobicContact CH2-CG 3.55Å; W110-R175 HydrophobicContact CZ2-CB 3.98Å; W110-R175 HydrophobicContact CZ2-CG 3.73Å; W110-R175 HydrophobicContact CZ3-CB 4.12Å; W110-R175 HydrophobicContact CZ3-CG 3.51Å; W110-Q179 VanDerWaalsContact CD1-CD 3.44Å
111	P	92.8	Very high	94.5	Very high	74 Å²	74	31.3 Å²	31.3	48%	0.481	17%	0.165	S	C	.	.	H	α-helix	trans	-58.1	-44.3	-179.8	-25.7	35.6	0	0	0	112.5	F107 V108 S114 S115	F107-P111 WeakPolarHBondContact O-CD 3.27Å; V108-P111 WeakPolarHBondContact O-CD 3.37Å; P111-S114 PolarHBondContact O-OG 2.82Å; P111-S115 WeakPolarHBondContact O-CB 3.36Å; P111-S115 PolarHBondContact O-N 2.78Å
112	Q	90.6	Very high	94.8	Very high	58 Å²	58	27.3 Å²	27.3	27%	0.271	15%	0.15	S	C	.	.	H	α-helix	trans	-68.1	-51.1	176	-171.3	-170.9	-31.7	0	0	110.6	G109 W110 S114 S115 H116	G109-Q112 PolarHBondContact O-N 2.82Å; W110-Q112 VanDerWaalsContact C-N 3.33Å; W110-Q112 PolarHBondContact O-N 2.82Å; Q112-S114 PolarHBondContact O-N 2.98Å; Q112-S115 WeakPolarHBondContact O-CB 3.46Å; Q112-S115 PolarHBondContact O-N 2.84Å; Q112-S115 VanDerWaalsContact O-N 3.16Å; Q112-S115 PolarHBondContact O-OG 2.83Å; Q112-H116 PolarHBondContact O-CE1 2.86Å; Q112-H116 PolarHBondContact O-ND1 3.25Å
113	F	91.4	Very high	95.1	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-49.2	-175.4	-176.3	-98.2	0	0	0	112.4	I68 G109 W110 S115 H116 D143 M161 P198	I68-F113 HydrophobicContact CD1-CE2 4.39Å; I68-F113 HydrophobicContact CG2-CE2 4.46Å; G109-F113 WeakPolarHBondContact O-CB 3.43Å; G109-F113 PolarHBondContact O-N 3.16Å; W110-F113 HydrophobicContact CE3-CD1 4.38Å; W110-F113 HydrophobicContact CZ3-CD1 4.23Å; W110-F113 PolarHBondContact O-N 2.88Å; F113-S115 PolarHBondContact O-N 2.83Å; F113-H116 WeakPolarHBondContact CA-ND1 3.47Å; F113-H116 PolarHBondContact O-N 3.27Å; F113-H116 PolarHBondContact O-ND1 3.05Å; F113-D143 HydrophobicContact CE2-CB 4.46Å; F113-D143 HydrophobicContact CZ-CB 3.88Å; F113-M161 HydrophobicContact CD1-CB 4.38Å; F113-M161 HydrophobicContact CE1-CB 3.64Å; F113-M161 HydrophobicContact CE1-CG 4Å; F113-M161 HydrophobicContact CZ-CB 4.3Å; F113-M161 HydrophobicContact CZ-CG 4.18Å; F113-P198 VanDerWaalsContact CE2-O 3.3Å; F113-P198 WeakPolarHBondContact CE2-O 3.39Å
114	S	94.5	Very high	95.2	Very high	30 Å²	30	33.1 Å²	33.1	21%	0.21	17%	0.174	C	C	.	.	H	α-helix	trans	-67.4	-23.3	-178.4	64.5	0	0	0	0	113.5	W110 P111 Q112 K148	W110-S114 VanDerWaalsContact O-CB 3.29Å; W110-S114 WeakPolarHBondContact O-CB 3.47Å; W110-S114 PolarHBondContact O-N 2.88Å; W110-S114 PolarHBondContact O-OG 2.8Å; P111-S114 PolarHBondContact O-OG 2.82Å; Q112-S114 PolarHBondContact O-N 2.98Å; S114-K148 PolarHBondContact O-NZ 3.04Å
115	S	95.4	Very high	95.4	Very high	69 Å²	69	33.1 Å²	33.1	48%	0.483	17%	0.174	S	C	.	.	H	α-helix	trans	-75	-20.4	-179.2	78.7	0	0	0	0	114.6	P111 Q112 F113 Q117	P111-S115 WeakPolarHBondContact O-CB 3.36Å; P111-S115 PolarHBondContact O-N 2.78Å; Q112-S115 WeakPolarHBondContact O-CB 3.46Å; Q112-S115 PolarHBondContact O-N 2.84Å; Q112-S115 VanDerWaalsContact O-N 3.16Å; Q112-S115 PolarHBondContact O-OG 2.83Å; F113-S115 PolarHBondContact O-N 2.83Å; S115-Q117 PolarHBondContact O-N 3.38Å; S115-Q117 PolarHBondContact O-NE2 3.37Å
116	H	96.1	Very high	95.7	Very high	21 Å²	21	31.2 Å²	31.2	10%	0.097	17%	0.168	C	C	.	.			trans	-58.2	140.9	-178.7	-63.4	101.6	0	0	0	111.1	S66 G67 I68 Q112 F113 L145 K148	S66-H116 PolarHBondContact O-CD2 3.47Å; G67-H116 PolarHBondContact O-NE2 3.37Å; I68-H116 HydrophobicContact CD1-CB 3.93Å; I68-H116 HydrophobicContact CG1-CB 4.07Å; Q112-H116 PolarHBondContact O-CE1 2.86Å; Q112-H116 PolarHBondContact O-ND1 3.25Å; F113-H116 WeakPolarHBondContact CA-ND1 3.47Å; F113-H116 PolarHBondContact O-N 3.27Å; F113-H116 PolarHBondContact O-ND1 3.05Å; H116-L145 HydrophobicContact CB-CD2 4.33Å; H116-L145 WeakPolarHBondContact O-CD2 3.35Å; H116-K148 PolarHBondContact O-NZ 3.48Å
117	Q	98.1	Very high	96	Very high	119 Å²	119	34.6 Å²	34.6	56%	0.556	19%	0.185	S	C	*	.			trans	-105.2	158.4	-179.8	-63	-55.3	-47.6	0	0	110.3	S66 S115	S66-Q117 WeakPolarHBondContact CB-O 3.45Å; S66-Q117 PolarHBondContact OG-O 3.17Å; S115-Q117 PolarHBondContact O-N 3.38Å; S115-Q117 PolarHBondContact O-NE2 3.37Å
118	P	98.6	Very high	96.2	Very high	8 Å²	8	33.6 Å²	33.6	5%	0.052	18%	0.181	C	C	.	.			trans	-57	169.4	168.3	-13.9	26.9	0	0	0	110.9	H122 W123 L145 K148 A149	P118-H122 HydrophobicContact CB-CB 3.69Å; P118-W123 VanDerWaalsContact C-CH2 3.4Å; P118-W123 VanDerWaalsContact C-CZ2 3.42Å; P118-W123 HydrophobicContact CB-CD2 4.42Å; P118-W123 HydrophobicContact CB-CZ2 3.8Å; P118-W123 HydrophobicContact CG-CZ2 4.31Å; P118-W123 WeakPolarHBondContact O-CH2 3.4Å; P118-W123 WeakPolarHBondContact O-CZ2 3.33Å; P118-L145 WeakPolarHBondContact CG-O 3.5Å; P118-K148 HydrophobicContact CG-CB 3.66Å; P118-A149 HydrophobicContact CB-CB 3.9Å; P118-A149 HydrophobicContact CG-CB 3.97Å
119	N	98.6	Very high	96.5	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.027	18%	0.178	C	C	.	.			trans	-129.4	177	177.2	66.6	39.1	0	0	0	109.5	I62 E65 S66 A121 H122 W123	I62-N119 PolarHBondContact O-ND2 3.45Å; E65-N119 HydrophobicContact CB-CB 4.31Å; S66-N119 PolarHBondContact N-ND2 3.4Å; S66-N119 WeakPolarHBondContact OG-CB 3.33Å; S66-N119 PolarHBondContact OG-ND2 3.32Å; N119-A121 PolarHBondContact O-N 2.79Å; N119-A121 VanDerWaalsContact O-N 3.08Å; N119-A121 WeakPolarHBondContact OD1-CB 3.1Å; N119-A121 PolarHBondContact OD1-N 2.78Å; N119-A121 VanDerWaalsContact OD1-N 3.08Å; N119-H122 VanDerWaalsContact CG-ND1 3.26Å; N119-H122 PolarHBondContact N-ND1 3.21Å; N119-H122 PolarHBondContact ND2-CE1 2.95Å; N119-H122 PolarHBondContact ND2-ND1 3.27Å; N119-H122 WeakPolarHBondContact O-CB 3.27Å; N119-H122 PolarHBondContact O-N 3.07Å; N119-H122 PolarHBondContact OD1-ND1 2.7Å; N119-W123 PolarHBondContact O-N 3Å; N119-W123 VanDerWaalsContact O-N 3.15Å
120	P	98.7	Very high	96.8	Very high	55 Å²	55	40.8 Å²	40.8	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-50.2	-36.7	-176.7	-31.2	38.9	0	0	0	115.2	H122 W123 A124 G302 P306	P120-H122 PolarHBondContact O-N 2.87Å; P120-W123 HydrophobicContact CG-CE3 4.38Å; P120-W123 HydrophobicContact CG-CZ3 4.22Å; P120-W123 VanDerWaalsContact N-CE3 3.27Å; P120-W123 VanDerWaalsContact N-CZ3 3.35Å; P120-W123 PolarHBondContact O-N 2.59Å; P120-A124 VanDerWaalsContact O-CB 3.31Å; P120-A124 WeakPolarHBondContact O-CB 3.47Å; P120-A124 PolarHBondContact O-N 3.26Å; P120-G302 WeakPolarHBondContact CB-O 3.38Å; P120-P306 HydrophobicContact CB-CG 3.66Å
121	A	98.7	Very high	97	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-42.8	177	0	0	0	0	0	112.3	I62 N119 L125 C301 L305	I62-A121 HydrophobicContact CD1-CB 4.07Å; I62-A121 HydrophobicContact CG1-CB 3.71Å; N119-A121 PolarHBondContact O-N 2.79Å; N119-A121 VanDerWaalsContact O-N 3.08Å; N119-A121 WeakPolarHBondContact OD1-CB 3.1Å; N119-A121 PolarHBondContact OD1-N 2.78Å; N119-A121 VanDerWaalsContact OD1-N 3.08Å; A121-L125 WeakPolarHBondContact O-CG 3.31Å; A121-L125 PolarHBondContact O-N 2.8Å; A121-L125 VanDerWaalsContact O-N 3.11Å; A121-C301 HydrophobicContact CB-CB 4.09Å; A121-L305 HydrophobicContact CB-CD1 3.91Å
122	H	98.9	Very high	97.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-43.8	178.3	-63.2	87.6	0	0	0	111.7	I62 P118 N119 P120 L125 S126 L145 H146 A149	I62-H122 PolarHBondContact O-CE1 3.37Å; I62-H122 VanDerWaalsContact O-CE1 3.31Å; P118-H122 HydrophobicContact CB-CB 3.69Å; N119-H122 VanDerWaalsContact CG-ND1 3.26Å; N119-H122 PolarHBondContact N-ND1 3.21Å; N119-H122 PolarHBondContact ND2-CE1 2.95Å; N119-H122 PolarHBondContact ND2-ND1 3.27Å; N119-H122 WeakPolarHBondContact O-CB 3.27Å; N119-H122 PolarHBondContact O-N 3.07Å; N119-H122 PolarHBondContact OD1-ND1 2.7Å; P120-H122 PolarHBondContact O-N 2.87Å; H122-L125 PolarHBondContact O-N 3.05Å; H122-S126 WeakPolarHBondContact O-CB 3.39Å; H122-S126 PolarHBondContact O-N 2.87Å; H122-L145 WeakPolarHBondContact NE2-CB 3.37Å; H122-H146 AromaticContact CD2-CE1 3.58Å; H122-H146 AromaticContact CD2-CG 3.97Å; H122-H146 AromaticContact CD2-ND1 3.67Å; H122-H146 AromaticContact CD2-NE2 3.83Å; H122-A149 HydrophobicContact CB-CB 3.81Å
123	W	98.8	Very high	97.5	Very high	124 Å²	124	40.2 Å²	40.2	47%	0.47	22%	0.216	S	C	.	.	H	α-helix	trans	-67.7	-36.2	178.5	-63.1	-58.4	0	0	0	112.3	P118 N119 P120 S126 N127	P118-W123 VanDerWaalsContact C-CH2 3.4Å; P118-W123 VanDerWaalsContact C-CZ2 3.42Å; P118-W123 HydrophobicContact CB-CD2 4.42Å; P118-W123 HydrophobicContact CB-CZ2 3.8Å; P118-W123 HydrophobicContact CG-CZ2 4.31Å; P118-W123 WeakPolarHBondContact O-CH2 3.4Å; P118-W123 WeakPolarHBondContact O-CZ2 3.33Å; N119-W123 PolarHBondContact O-N 3Å; N119-W123 VanDerWaalsContact O-N 3.15Å; P120-W123 HydrophobicContact CG-CE3 4.38Å; P120-W123 HydrophobicContact CG-CZ3 4.22Å; P120-W123 VanDerWaalsContact N-CE3 3.27Å; P120-W123 VanDerWaalsContact N-CZ3 3.35Å; P120-W123 PolarHBondContact O-N 2.59Å; W123-S126 PolarHBondContact O-N 2.83Å; W123-N127 WeakPolarHBondContact O-CB 3.41Å; W123-N127 PolarHBondContact O-N 3.39Å
124	A	98.8	Very high	97.7	Very high	10 Å²	10	40.1 Å²	40.1	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-50.2	173	0	0	0	0	0	110.9	P120 S126 N127 W128 L305 P306	P120-A124 VanDerWaalsContact O-CB 3.31Å; P120-A124 WeakPolarHBondContact O-CB 3.47Å; P120-A124 PolarHBondContact O-N 3.26Å; A124-S126 VanDerWaalsContact C-N 3.35Å; A124-S126 PolarHBondContact O-N 3.47Å; A124-N127 WeakPolarHBondContact O-CA 3.17Å; A124-N127 WeakPolarHBondContact O-CB 3.4Å; A124-N127 PolarHBondContact O-N 2.89Å; A124-N127 VanDerWaalsContact O-N 3.08Å; A124-W128 PolarHBondContact O-N 2.94Å; A124-L305 HydrophobicContact CB-CB 3.78Å; A124-P306 HydrophobicContact CB-CG 4.48Å
125	L	98.8	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-37.8	177.4	-67.4	175.6	0	0	0	112.7	V56 T58 I62 A121 H122 N127 W128 E129 L134 L137 L305	V56-L125 HydrophobicContact CG1-CD1 4.09Å; V56-L125 HydrophobicContact CG1-CD2 4.23Å; V56-L125 HydrophobicContact CG2-CD2 4.15Å; T58-L125 HydrophobicContact CG2-CD1 4.09Å; I62-L125 HydrophobicContact CD1-CD1 3.78Å; A121-L125 WeakPolarHBondContact O-CG 3.31Å; A121-L125 PolarHBondContact O-N 2.8Å; A121-L125 VanDerWaalsContact O-N 3.11Å; H122-L125 PolarHBondContact O-N 3.05Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 3.36Å; L125-W128 HydrophobicContact CD2-CD2 4.38Å; L125-W128 HydrophobicContact CD2-CE3 3.88Å; L125-W128 HydrophobicContact CD2-CZ3 4.07Å; L125-W128 PolarHBondContact O-N 2.84Å; L125-E129 PolarHBondContact O-N 3.12Å; L125-L134 HydrophobicContact CB-CD1 4.31Å; L125-L134 HydrophobicContact CD2-CD1 4.47Å; L125-L134 WeakPolarHBondContact O-CD1 3.47Å; L125-L137 HydrophobicContact CB-CD1 4.11Å; L125-L137 HydrophobicContact CD1-CD1 3.99Å; L125-L305 HydrophobicContact CD1-CD1 4.25Å; L125-L305 HydrophobicContact CD2-CD1 4.27Å; L125-L305 HydrophobicContact CG-CD1 4.06Å
126	S	98.7	Very high	98.1	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.028	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-40.3	171.3	178.3	0	0	0	0	112.1	H122 W123 A124 E129 K130 A149 N151	H122-S126 WeakPolarHBondContact O-CB 3.39Å; H122-S126 PolarHBondContact O-N 2.87Å; W123-S126 PolarHBondContact O-N 2.83Å; A124-S126 VanDerWaalsContact C-N 3.35Å; A124-S126 PolarHBondContact O-N 3.47Å; S126-E129 WeakPolarHBondContact O-CB 3.3Å; S126-E129 PolarHBondContact O-N 3.45Å; S126-K130 WeakPolarHBondContact O-CG 3.24Å; S126-K130 PolarHBondContact O-N 2.91Å; S126-A149 VanDerWaalsContact CB-O 3.27Å; S126-A149 WeakPolarHBondContact CB-O 3.41Å; S126-A149 PolarHBondContact OG-O 3.41Å; S126-N151 WeakPolarHBondContact CA-ND2 3.5Å
127	N	98.4	Very high	98.2	Very high	73 Å²	73	37.4 Å²	37.4	39%	0.39	19%	0.19	S	C	.	.	H	α-helix	trans	-66.6	-42.8	175.6	-170.7	54.3	0	0	0	112.1	W123 A124 L125 E129 K130 L131	W123-N127 WeakPolarHBondContact O-CB 3.41Å; W123-N127 PolarHBondContact O-N 3.39Å; A124-N127 WeakPolarHBondContact O-CA 3.17Å; A124-N127 WeakPolarHBondContact O-CB 3.4Å; A124-N127 PolarHBondContact O-N 2.89Å; A124-N127 VanDerWaalsContact O-N 3.08Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 3.36Å; N127-E129 PolarHBondContact O-N 3.04Å; N127-K130 WeakPolarHBondContact O-CB 3.33Å; N127-K130 PolarHBondContact O-N 3.1Å; N127-K130 VanDerWaalsContact O-N 3.1Å; N127-L131 WeakPolarHBondContact ND2-CD1 3.44Å; N127-L131 WeakPolarHBondContact O-CG 3.35Å; N127-L131 PolarHBondContact O-N 2.86Å
128	W	98.3	Very high	98.3	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.011	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-35.1	175.9	-66.6	13.1	0	0	0	112	I48 L54 A124 L125 L131 G132 K133 L134 L254 L305 I308 P310	I48-W128 HydrophobicContact CD1-CH2 3.93Å; I48-W128 HydrophobicContact CD1-CZ3 3.62Å; I48-W128 HydrophobicContact CG1-CH2 4.06Å; I48-W128 HydrophobicContact CG1-CZ3 4.21Å; I48-W128 HydrophobicContact CG2-CZ3 4.45Å; L54-W128 HydrophobicContact CD2-CE3 4Å; L54-W128 HydrophobicContact CD2-CZ3 3.89Å; A124-W128 PolarHBondContact O-N 2.94Å; L125-W128 HydrophobicContact CD2-CD2 4.38Å; L125-W128 HydrophobicContact CD2-CE3 3.88Å; L125-W128 HydrophobicContact CD2-CZ3 4.07Å; L125-W128 PolarHBondContact O-N 2.84Å; W128-L131 PolarHBondContact O-N 2.79Å; W128-G132 PolarHBondContact O-N 3.21Å; W128-K133 HydrophobicContact CB-CB 4.23Å; W128-K133 WeakPolarHBondContact O-CB 3.15Å; W128-K133 PolarHBondContact O-N 3.14Å; W128-L134 HydrophobicContact CB-CD1 4.23Å; W128-L134 HydrophobicContact CB-CG 3.94Å; W128-L134 HydrophobicContact CE3-CD2 4.32Å; W128-L134 PolarHBondContact O-N 3.49Å; W128-L254 HydrophobicContact CH2-CD2 4.37Å; W128-L254 HydrophobicContact CZ3-CD2 4.03Å; W128-L305 HydrophobicContact CH2-CD2 3.71Å; W128-L305 HydrophobicContact CZ2-CB 4.47Å; W128-L305 HydrophobicContact CZ2-CD2 4.09Å; W128-I308 HydrophobicContact CH2-CB 4.33Å; W128-I308 HydrophobicContact CH2-CG2 4.12Å; W128-I308 HydrophobicContact CZ2-CB 3.66Å; W128-I308 HydrophobicContact CZ2-CG1 4.28Å; W128-I308 HydrophobicContact CZ2-CG2 3.74Å; W128-P310 HydrophobicContact CB-CB 4.11Å; W128-P310 VanDerWaalsContact CD1-CB 3.5Å; W128-P310 VanDerWaalsContact CD1-CG 3.46Å; W128-P310 HydrophobicContact CD2-CB 4.06Å; W128-P310 HydrophobicContact CG-CB 3.62Å; W128-P310 HydrophobicContact CG-CG 4.04Å
129	E	98.1	Very high	98.3	Very high	26 Å²	26	31.5 Å²	31.5	12%	0.121	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-47	172.1	-167.3	-179.3	135.7	0	0	112	L125 S126 N127 L131 G132 L134 N151 R152 R153	L125-E129 PolarHBondContact O-N 3.12Å; S126-E129 WeakPolarHBondContact O-CB 3.3Å; S126-E129 PolarHBondContact O-N 3.45Å; N127-E129 PolarHBondContact O-N 3.04Å; E129-L131 PolarHBondContact O-N 2.67Å; E129-G132 PolarHBondContact O-N 3.38Å; E129-L134 HydrophobicContact CB-CB 4.3Å; E129-L134 HydrophobicContact CB-CD1 4.13Å; E129-N151 VanDerWaalsContact OE2-CA 3.31Å; E129-N151 WeakPolarHBondContact OE2-CA 3.39Å; E129-N151 WeakPolarHBondContact OE2-CB 3.31Å; E129-N151 PolarHBondContact OE2-ND2 3.42Å; E129-R152 WeakPolarHBondContact OE1-CA 3.13Å; E129-R152 WeakPolarHBondContact OE1-CB 3.19Å; E129-R152 PolarHBondContact OE1-N 3.06Å; E129-R152 PolarHBondContact OE2-N 3.37Å; E129-R153 HydrophobicContact CG-CB 4.34Å; E129-R153 HydrophobicContact CG-CG 4.33Å; E129-R153 PolarHBondContact OE1-N 3.32Å; E129-R153 PolarHBondContact OE2-N 2.83Å
130	K	97.6	Very high	98.3	Very high	158 Å²	158	32.5 Å²	32.5	69%	0.687	17%	0.167	S	C	*	.	H	α-helix	trans	-61.7	-34.5	178.8	-69.3	171.5	-175.2	173.3	0	112.4	S126 N127 G132	S126-K130 WeakPolarHBondContact O-CG 3.24Å; S126-K130 PolarHBondContact O-N 2.91Å; N127-K130 WeakPolarHBondContact O-CB 3.33Å; N127-K130 PolarHBondContact O-N 3.1Å; N127-K130 VanDerWaalsContact O-N 3.1Å; K130-G132 PolarHBondContact O-N 3.47Å
131	L	97.1	Very high	98.2	Very high	74 Å²	74	30.4 Å²	30.4	39%	0.387	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5	176.7	-61.9	174.4	0	0	0	113	N127 W128 E129 K133 P310 Q311	N127-L131 WeakPolarHBondContact ND2-CD1 3.44Å; N127-L131 WeakPolarHBondContact O-CG 3.35Å; N127-L131 PolarHBondContact O-N 2.86Å; W128-L131 PolarHBondContact O-N 2.79Å; E129-L131 PolarHBondContact O-N 2.67Å; L131-K133 VanDerWaalsContact C-N 3.28Å; L131-K133 PolarHBondContact O-N 2.67Å; L131-P310 HydrophobicContact CB-CG 4.29Å; L131-P310 HydrophobicContact CD1-CG 3.46Å; L131-P310 VanDerWaalsContact CD1-CG 3.46Å; L131-P310 HydrophobicContact CG-CG 4.49Å; L131-Q311 HydrophobicContact CD1-CG 4.48Å
132	G	96.4	Very high	98.1	Very high	48 Å²	48	31.2 Å²	31.2	50%	0.495	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	4.5	173.8	0	0	0	0	0	115	W128 E129 K130	W128-G132 PolarHBondContact O-N 3.21Å; E129-G132 PolarHBondContact O-N 3.38Å; K130-G132 PolarHBondContact O-N 3.47Å
133	K	97.3	Very high	98.1	Very high	15 Å²	15	31.5 Å²	31.5	7%	0.065	16%	0.159	C	C	.	.			trans	-72.6	-37.4	-177.9	-171.4	57.6	153.7	-156.8	0	113.1	I48 S51 W128 L131 H135 P310	I48-K133 HydrophobicContact CG2-CD 4.48Å; I48-K133 HydrophobicContact CG2-CG 4.32Å; I48-K133 WeakPolarHBondContact O-CE 3.48Å; I48-K133 PolarHBondContact O-NZ 3.44Å; S51-K133 VanDerWaalsContact O-CE 3.27Å; S51-K133 WeakPolarHBondContact O-CE 3.36Å; S51-K133 PolarHBondContact O-NZ 2.58Å; W128-K133 HydrophobicContact CB-CB 4.23Å; W128-K133 WeakPolarHBondContact O-CB 3.15Å; W128-K133 PolarHBondContact O-N 3.14Å; L131-K133 VanDerWaalsContact C-N 3.28Å; L131-K133 PolarHBondContact O-N 2.67Å; K133-H135 PolarHBondContact O-N 3.08Å; K133-P310 HydrophobicContact CB-CB 3.82Å; K133-P310 WeakPolarHBondContact CD-O 3.45Å; K133-P310 WeakPolarHBondContact CE-O 3.35Å; K133-P310 HydrophobicContact CG-CB 3.86Å; K133-P310 WeakPolarHBondContact CG-O 3.48Å; K133-P310 PolarHBondContact NZ-O 3.49Å
134	L	96.9	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.9	179.3	-67.1	-177.4	0	0	0	111.7	L54 V56 L125 W128 E129 L137 R153	L54-L134 HydrophobicContact CB-CD2 4.41Å; L54-L134 HydrophobicContact CD2-CD2 3.81Å; L54-L134 HydrophobicContact CG-CD2 4.07Å; V56-L134 HydrophobicContact CB-CD2 4.24Å; V56-L134 HydrophobicContact CG2-CD2 3.32Å; L125-L134 HydrophobicContact CB-CD1 4.31Å; L125-L134 HydrophobicContact CD2-CD1 4.47Å; L125-L134 WeakPolarHBondContact O-CD1 3.47Å; W128-L134 HydrophobicContact CB-CD1 4.23Å; W128-L134 HydrophobicContact CB-CG 3.94Å; W128-L134 HydrophobicContact CE3-CD2 4.32Å; W128-L134 PolarHBondContact O-N 3.49Å; E129-L134 HydrophobicContact CB-CB 4.3Å; E129-L134 HydrophobicContact CB-CD1 4.13Å; L134-L137 HydrophobicContact CD1-CD1 4.39Å; L134-R153 PolarHBondContact O-NH1 3.34Å
135	H	98.3	Very high	98	Very high	27 Å²	27	25.6 Å²	25.6	13%	0.125	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-50.1	165.4	-179	54.3	0	0	0	110.4	K53 L54 K133 R153 E249	K53-H135 HydrophobicContact CB-CB 4.01Å; L54-H135 WeakPolarHBondContact O-CB 3.5Å; L54-H135 PolarHBondContact O-N 2.86Å; K133-H135 PolarHBondContact O-N 3.08Å; H135-R153 WeakPolarHBondContact O-CD 3.42Å; H135-E249 IonicContact CE1-OE2 3.83Å; H135-E249 PolarHBondContact CE1-OE2 3.39Å; H135-E249 WeakPolarHBondContact NE2-CB 3.29Å; H135-E249 IonicContact NE2-OE2 2.67Å; H135-E249 PolarHBondContact NE2-OE2 3.01Å
136	W	98.8	Very high	98	Very high	36 Å²	36	25.8 Å²	25.8	14%	0.136	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	148.6	178.3	-155.5	-98.3	0	0	0	112.2	L54 I55 V56 R153 T155 F242 R246	L54-W136 PolarHBondContact O-N 3.37Å; I55-W136 WeakPolarHBondContact CA-O 3.34Å; I55-W136 HydrophobicContact CD1-CB 4.35Å; I55-W136 HydrophobicContact CG1-CB 4.22Å; I55-W136 WeakPolarHBondContact CG1-O 3.38Å; V56-W136 PolarHBondContact N-O 2.92Å; W136-R153 HydrophobicContact CD2-CB 4.28Å; W136-R153 HydrophobicContact CE3-CB 3.76Å; W136-R153 HydrophobicContact CE3-CG 4.19Å; W136-R153 HydrophobicContact CZ3-CB 3.93Å; W136-R153 HydrophobicContact CZ3-CG 4.09Å; W136-T155 PolarHBondContact NE1-OG1 2.95Å; W136-F242 HydrophobicContact CD2-CE1 4.31Å; W136-F242 HydrophobicContact CD2-CZ 4.43Å; W136-F242 AromaticContact CE2-CE1 3.51Å; W136-F242 AromaticContact CE2-CZ 3.86Å; W136-F242 HydrophobicContact CH2-CE1 4.17Å; W136-F242 AromaticContact CH2-CZ 3.74Å; W136-F242 HydrophobicContact CH2-CZ 3.74Å; W136-F242 AromaticContact CZ2-CE1 3.43Å; W136-F242 HydrophobicContact CZ2-CE1 3.43Å; W136-F242 VanDerWaalsContact CZ2-CE1 3.43Å; W136-F242 AromaticContact CZ2-CZ 3.5Å; W136-F242 HydrophobicContact CZ2-CZ 3.5Å; W136-F242 VanDerWaalsContact CZ2-CZ 3.5Å; W136-F242 HydrophobicContact CZ3-CZ 4.28Å; W136-F242 AromaticContact NE1-CE1 3.66Å; W136-R246 HydrophobicContact CB-CB 4.21Å; W136-R246 HydrophobicContact CB-CG 4.27Å; W136-R246 HydrophobicContact CD2-CG 4.15Å; W136-R246 HydrophobicContact CG-CB 4.27Å; W136-R246 HydrophobicContact CG-CG 3.93Å
137	L	98.9	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	172.2	-165.9	152.2	0	0	0	110	V56 T58 L125 L134 R153 L154 T155	V56-L137 HydrophobicContact CB-CG 4.27Å; V56-L137 HydrophobicContact CG1-CD1 4.39Å; V56-L137 HydrophobicContact CG1-CG 4.33Å; V56-L137 CarbonylContact O-C 3.38Å; V56-L137 WeakPolarHBondContact O-CA 2.95Å; T58-L137 HydrophobicContact CG2-CD2 4.34Å; L125-L137 HydrophobicContact CB-CD1 4.11Å; L125-L137 HydrophobicContact CD1-CD1 3.99Å; L134-L137 HydrophobicContact CD1-CD1 4.39Å; L137-R153 PolarHBondContact N-O 3.48Å; L137-L154 HydrophobicContact CB-CD1 4.39Å; L137-L154 HydrophobicContact CD2-CD1 3.36Å; L137-L154 HydrophobicContact CG-CD1 4.42Å; L137-L154 CarbonylContact O-C 3.47Å; L137-L154 WeakPolarHBondContact O-CA 3.12Å; L137-T155 PolarHBondContact O-N 3.05Å
138	V	98.8	Very high	98	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.2	172.9	-170.8	0	0	0	0	107.8	I55 V56 M57 T58 T155 L157 V243	I55-V138 HydrophobicContact CD1-CG2 4.33Å; V56-V138 PolarHBondContact O-N 3.42Å; M57-V138 CarbonylContact C-O 3.59Å; M57-V138 WeakPolarHBondContact CA-O 3.4Å; M57-V138 HydrophobicContact CE-CB 3.67Å; M57-V138 HydrophobicContact CE-CG1 3.6Å; M57-V138 HydrophobicContact CE-CG2 4.31Å; M57-V138 HydrophobicContact SD-CB 3.85Å; M57-V138 HydrophobicContact SD-CG1 3.78Å; T58-V138 PolarHBondContact N-O 3.38Å; V138-T155 WeakPolarHBondContact CA-O 3.31Å; V138-L157 HydrophobicContact CG1-CB 4.13Å; V138-V243 HydrophobicContact CG1-CG1 4.28Å; V138-V243 HydrophobicContact CG1-CG2 4.23Å; V138-V243 HydrophobicContact CG2-CG1 3.7Å; V138-V243 HydrophobicContact CG2-CG2 4.14Å
139	T	98.8	Very high	98	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.7	175.6	-168.8	0	0	0	0	110.8	T58 N141 L154 T155 E156 L157	T58-T139 WeakPolarHBondContact OG1-CA 3.31Å; T58-T139 WeakPolarHBondContact OG1-CB 3.43Å; T58-T139 PolarHBondContact OG1-OG1 3.39Å; T139-N141 WeakPolarHBondContact OG1-CB 3.47Å; T139-N141 PolarHBondContact OG1-N 2.87Å; T139-N141 VanDerWaalsContact OG1-N 3.11Å; T139-L154 HydrophobicContact CG2-CD1 3.96Å; T139-T155 PolarHBondContact N-O 2.82Å; T139-E156 HydrophobicContact CG2-CB 4.4Å; T139-E156 HydrophobicContact CG2-CG 4.04Å; T139-L157 VanDerWaalsContact O-CB 3.27Å; T139-L157 WeakPolarHBondContact O-CB 3.37Å; T139-L157 PolarHBondContact O-N 3.05Å
140	Q	98.3	Very high	98	Very high	25 Å²	25	28.9 Å²	28.9	12%	0.117	17%	0.165	C	C	.	.			trans	-80	-12.6	167.1	-65	161.9	97.1	0	0	111.4	M57 T58 L157 H158 S258	M57-Q140 HydrophobicContact SD-CG 4.33Å; T58-Q140 PolarHBondContact O-N 2.67Å; T58-Q140 PolarHBondContact O-NE2 3.39Å; Q140-L157 HydrophobicContact CG-CD2 4.22Å; Q140-H158 PolarHBondContact O-ND1 3.12Å; Q140-H158 VanDerWaalsContact O-ND1 3.16Å; Q140-S258 PolarHBondContact NE2-OG 2.83Å
141	N	97.6	Very high	98.1	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.064	14%	0.135	C	C	.	.			trans	-77.8	152.4	-173.7	-58.8	-6.3	0	0	0	110.9	G59 A60 I62 S63 T139 D143	G59-N141 WeakPolarHBondContact CA-OD1 3.3Å; G59-N141 PolarHBondContact O-ND2 3.2Å; G59-N141 PolarHBondContact O-OD1 2.76Å; A60-N141 VanDerWaalsContact CA-OD1 3.27Å; A60-N141 WeakPolarHBondContact CA-OD1 3.27Å; A60-N141 PolarHBondContact N-OD1 3.11Å; I62-N141 WeakPolarHBondContact CG2-ND2 3.41Å; S63-N141 PolarHBondContact OG-ND2 2.87Å; S63-N141 VanDerWaalsContact OG-ND2 3.17Å; T139-N141 WeakPolarHBondContact OG1-CB 3.47Å; T139-N141 PolarHBondContact OG1-N 2.87Å; T139-N141 VanDerWaalsContact OG1-N 3.11Å; N141-D143 WeakPolarHBondContact CB-OD2 3.31Å; N141-D143 PolarHBondContact ND2-OD2 3.04Å
142	V	97	Very high	98.1	Very high	16 Å²	16	29 Å²	29	10%	0.097	16%	0.157	C	C	.	.			trans	-114	14.7	179.9	-61.4	0	0	0	0	112	H158 M161 D199 V228	V142-H158 HydrophobicContact CG1-CB 4.01Å; V142-M161 HydrophobicContact CB-CG 3.93Å; V142-M161 HydrophobicContact CG2-CG 3.57Å; V142-M161 HydrophobicContact CG2-SD 4.42Å; V142-M161 WeakPolarHBondContact O-CB 3.35Å; V142-M161 PolarHBondContact O-N 3.31Å; V142-D199 HydrophobicContact CG2-CB 4.23Å; V142-V228 HydrophobicContact CB-CG1 3.81Å; V142-V228 HydrophobicContact CG1-CB 4.19Å; V142-V228 HydrophobicContact CG1-CG1 3.67Å; V142-V228 HydrophobicContact CG2-CG1 4.42Å
143	D	97.4	Very high	98.2	Very high	7 Å²	7	32 Å²	32	4%	0.037	15%	0.153	C	C	.	.	S	Bend	trans	-91.2	-5.9	-168.7	59.9	23.5	0	0	0	115.4	S63 I68 F113 N141 L145	S63-D143 WeakPolarHBondContact CB-OD2 3.25Å; S63-D143 PolarHBondContact OG-OD2 2.8Å; I68-D143 HydrophobicContact CD1-CB 3.72Å; F113-D143 HydrophobicContact CE2-CB 4.46Å; F113-D143 HydrophobicContact CZ-CB 3.88Å; N141-D143 WeakPolarHBondContact CB-OD2 3.31Å; N141-D143 PolarHBondContact ND2-OD2 3.04Å; D143-L145 HydrophobicContact CB-CG 4.05Å; D143-L145 PolarHBondContact O-N 3.28Å; D143-L145 WeakPolarHBondContact OD1-CB 3.48Å; D143-L145 PolarHBondContact OD1-N 3.19Å
144	A	98.3	Very high	98.3	Very high	10 Å²	10	32.7 Å²	32.7	8%	0.083	16%	0.157	C	C	.	.			trans	60.7	12.4	-174.8	0	0	0	0	0	115.5	H146 S147 K148	A144-H146 PolarHBondContact O-N 3.11Å; A144-S147 WeakPolarHBondContact O-CB 3.5Å; A144-S147 PolarHBondContact O-N 3.42Å; A144-K148 WeakPolarHBondContact O-CG 3.45Å; A144-K148 PolarHBondContact O-N 3.17Å
145	L	98.8	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68	-34.8	-173	-65.3	-168.1	0	0	0	112.8	S66 I68 H116 P118 H122 D143 K148 A149	S66-L145 WeakPolarHBondContact OG-CD1 3.29Å; I68-L145 HydrophobicContact CD1-CD1 3.88Å; I68-L145 HydrophobicContact CD1-CG 4.33Å; H116-L145 HydrophobicContact CB-CD2 4.33Å; H116-L145 WeakPolarHBondContact O-CD2 3.35Å; P118-L145 WeakPolarHBondContact CG-O 3.5Å; H122-L145 WeakPolarHBondContact NE2-CB 3.37Å; D143-L145 HydrophobicContact CB-CG 4.05Å; D143-L145 PolarHBondContact O-N 3.28Å; D143-L145 WeakPolarHBondContact OD1-CB 3.48Å; D143-L145 PolarHBondContact OD1-N 3.19Å; L145-K148 HydrophobicContact CD2-CD 3.91Å; L145-K148 PolarHBondContact O-N 3.31Å; L145-A149 WeakPolarHBondContact O-CB 3.43Å; L145-A149 PolarHBondContact O-N 3.16Å
146	H	98.8	Very high	98.4	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-45.3	171.1	-75.9	-64.4	0	0	0	112.2	T58 H122 A144 K148 A149 G150 N151 L154	T58-H146 PolarHBondContact OG1-NE2 3.47Å; H122-H146 AromaticContact CD2-CE1 3.58Å; H122-H146 AromaticContact CD2-CG 3.97Å; H122-H146 AromaticContact CD2-ND1 3.67Å; H122-H146 AromaticContact CD2-NE2 3.83Å; A144-H146 PolarHBondContact O-N 3.11Å; H146-K148 VanDerWaalsContact C-N 3.33Å; H146-K148 PolarHBondContact O-N 3.15Å; H146-A149 WeakPolarHBondContact O-CB 3.48Å; H146-A149 PolarHBondContact O-N 2.98Å; H146-A149 VanDerWaalsContact O-N 3.14Å; H146-G150 PolarHBondContact O-N 3.25Å; H146-G150 VanDerWaalsContact O-N 3.15Å; H146-N151 HydrophobicContact CB-CB 4.34Å; H146-N151 PolarHBondContact O-N 3.14Å; H146-N151 VanDerWaalsContact O-N 3.12Å; H146-N151 PolarHBondContact O-OD1 3.08Å; H146-L154 HydrophobicContact CB-CD1 4Å; H146-L154 HydrophobicContact CB-CD2 3.92Å
147	S	98.4	Very high	98.4	Very high	55 Å²	55	31.4 Å²	31.4	39%	0.385	15%	0.154	S	C	.	.	H	α-helix	trans	-60.7	-42.6	175.3	-57.4	0	0	0	0	111.4	A144 A149 G150 L154	A144-S147 WeakPolarHBondContact O-CB 3.5Å; A144-S147 PolarHBondContact O-N 3.42Å; S147-A149 VanDerWaalsContact C-N 3.32Å; S147-A149 PolarHBondContact O-N 2.98Å; S147-G150 PolarHBondContact O-N 2.91Å; S147-G150 VanDerWaalsContact O-N 3.14Å; S147-L154 VanDerWaalsContact OG-CD2 3.29Å; S147-L154 WeakPolarHBondContact OG-CD2 3.38Å
148	K	98.5	Very high	98.3	Very high	72 Å²	72	32.9 Å²	32.9	31%	0.313	16%	0.161	S	C	.	.	H	α-helix	trans	-65.7	-31.2	174.8	-71.8	172.6	-179.6	172.7	0	112.9	S114 H116 P118 A144 L145 H146 G150	S114-K148 PolarHBondContact O-NZ 3.04Å; H116-K148 PolarHBondContact O-NZ 3.48Å; P118-K148 HydrophobicContact CG-CB 3.66Å; A144-K148 WeakPolarHBondContact O-CG 3.45Å; A144-K148 PolarHBondContact O-N 3.17Å; L145-K148 HydrophobicContact CD2-CD 3.91Å; L145-K148 PolarHBondContact O-N 3.31Å; H146-K148 VanDerWaalsContact C-N 3.33Å; H146-K148 PolarHBondContact O-N 3.15Å; K148-G150 PolarHBondContact O-N 3.03Å
149	A	98.7	Very high	98.3	Very high	11 Å²	11	32.9 Å²	32.9	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-75	-13.4	174.5	0	0	0	0	0	113.1	P118 H122 S126 L145 H146 S147	P118-A149 HydrophobicContact CB-CB 3.9Å; P118-A149 HydrophobicContact CG-CB 3.97Å; H122-A149 HydrophobicContact CB-CB 3.81Å; S126-A149 VanDerWaalsContact CB-O 3.27Å; S126-A149 WeakPolarHBondContact CB-O 3.41Å; S126-A149 PolarHBondContact OG-O 3.41Å; L145-A149 WeakPolarHBondContact O-CB 3.43Å; L145-A149 PolarHBondContact O-N 3.16Å; H146-A149 WeakPolarHBondContact O-CB 3.48Å; H146-A149 PolarHBondContact O-N 2.98Å; H146-A149 VanDerWaalsContact O-N 3.14Å; S147-A149 VanDerWaalsContact C-N 3.32Å; S147-A149 PolarHBondContact O-N 2.98Å
150	G	98.4	Very high	98.2	Very high	34 Å²	34	32.8 Å²	32.8	35%	0.351	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	98	12.4	176.1	0	0	0	0	0	115.1	H146 S147 K148 R152	H146-G150 PolarHBondContact O-N 3.25Å; H146-G150 VanDerWaalsContact O-N 3.15Å; S147-G150 PolarHBondContact O-N 2.91Å; S147-G150 VanDerWaalsContact O-N 3.14Å; K148-G150 PolarHBondContact O-N 3.03Å; G150-R152 PolarHBondContact O-N 2.98Å
151	N	98.6	Very high	98.1	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.048	16%	0.155	C	C	.	.			trans	-64.1	130.8	171.8	-72.7	98.6	0	0	0	110.8	S126 E129 H146	S126-N151 WeakPolarHBondContact CA-ND2 3.5Å; E129-N151 VanDerWaalsContact OE2-CA 3.31Å; E129-N151 WeakPolarHBondContact OE2-CA 3.39Å; E129-N151 WeakPolarHBondContact OE2-CB 3.31Å; E129-N151 PolarHBondContact OE2-ND2 3.42Å; H146-N151 HydrophobicContact CB-CB 4.34Å; H146-N151 PolarHBondContact O-N 3.14Å; H146-N151 VanDerWaalsContact O-N 3.12Å; H146-N151 PolarHBondContact O-OD1 3.08Å
152	R	98.1	Very high	98.1	Very high	224 Å²	224	33.2 Å²	33.2	85%	0.845	16%	0.162	S	C	*	.			trans	-112.4	-33.1	179.5	-60.9	-179.9	175.8	-178.7	-2.6	111.8	E129 G150 L154	E129-R152 WeakPolarHBondContact OE1-CA 3.13Å; E129-R152 WeakPolarHBondContact OE1-CB 3.19Å; E129-R152 PolarHBondContact OE1-N 3.06Å; E129-R152 PolarHBondContact OE2-N 3.37Å; G150-R152 PolarHBondContact O-N 2.98Å; R152-L154 PolarHBondContact O-N 3.24Å
153	R	98.3	Very high	98.1	Very high	111 Å²	111	35.5 Å²	35.5	42%	0.419	17%	0.169	S	C	.	.	S	Bend	trans	-79.5	63.5	172.9	-66.7	-175.9	172.2	-175.9	-2	110.8	E129 L134 H135 W136 L137	E129-R153 HydrophobicContact CG-CB 4.34Å; E129-R153 HydrophobicContact CG-CG 4.33Å; E129-R153 PolarHBondContact OE1-N 3.32Å; E129-R153 PolarHBondContact OE2-N 2.83Å; L134-R153 PolarHBondContact O-NH1 3.34Å; H135-R153 WeakPolarHBondContact O-CD 3.42Å; W136-R153 HydrophobicContact CD2-CB 4.28Å; W136-R153 HydrophobicContact CE3-CB 3.76Å; W136-R153 HydrophobicContact CE3-CG 4.19Å; W136-R153 HydrophobicContact CZ3-CB 3.93Å; W136-R153 HydrophobicContact CZ3-CG 4.09Å; L137-R153 PolarHBondContact N-O 3.48Å
154	L	98.8	Very high	98.2	Very high	30 Å²	30	35.2 Å²	35.2	16%	0.157	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.7	-166.8	-179.5	62.6	0	0	0	112.3	L137 T139 H146 S147 R152 E156	L137-L154 HydrophobicContact CB-CD1 4.39Å; L137-L154 HydrophobicContact CD2-CD1 3.36Å; L137-L154 HydrophobicContact CG-CD1 4.42Å; L137-L154 CarbonylContact O-C 3.47Å; L137-L154 WeakPolarHBondContact O-CA 3.12Å; T139-L154 HydrophobicContact CG2-CD1 3.96Å; H146-L154 HydrophobicContact CB-CD1 4Å; H146-L154 HydrophobicContact CB-CD2 3.92Å; S147-L154 VanDerWaalsContact OG-CD2 3.29Å; S147-L154 WeakPolarHBondContact OG-CD2 3.38Å; R152-L154 PolarHBondContact O-N 3.24Å; L154-E156 HydrophobicContact CD2-CG 4.12Å; L154-E156 HydrophobicContact CG-CG 4.28Å
155	T	98.8	Very high	98.1	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.08	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112.6	160.8	-62.7	0	0	0	0	110.5	W136 L137 V138 T139 L157 K239 V243	W136-T155 PolarHBondContact NE1-OG1 2.95Å; L137-T155 PolarHBondContact O-N 3.05Å; V138-T155 WeakPolarHBondContact CA-O 3.31Å; T139-T155 PolarHBondContact N-O 2.82Å; T155-L157 PolarHBondContact O-N 3.24Å; T155-K239 HydrophobicContact CG2-CD 3.89Å; T155-K239 HydrophobicContact CG2-CG 3.72Å; T155-V243 HydrophobicContact CG2-CG2 3.68Å
156	E	98.6	Very high	98.1	Very high	23 Å²	23	36.4 Å²	36.4	11%	0.107	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	93.4	166.8	-64.8	174.5	143.4	0	0	109	T139 L154 H158 G159 C160 R163 K239	T139-E156 HydrophobicContact CG2-CB 4.4Å; T139-E156 HydrophobicContact CG2-CG 4.04Å; L154-E156 HydrophobicContact CD2-CG 4.12Å; L154-E156 HydrophobicContact CG-CG 4.28Å; E156-H158 VanDerWaalsContact C-N 3.32Å; E156-H158 PolarHBondContact O-N 3.4Å; E156-G159 WeakPolarHBondContact CB-O 3.35Å; E156-G159 PolarHBondContact O-N 3.46Å; E156-G159 VanDerWaalsContact O-N 3.16Å; E156-C160 WeakPolarHBondContact OE2-CB 3.35Å; E156-R163 IonicContact OE1-NH1 3.6Å; E156-R163 IonicContact OE2-CZ 2.7Å; E156-R163 IonicContact OE2-NH1 2.8Å; E156-R163 PolarHBondContact OE2-NH1 3.43Å; E156-R163 IonicContact OE2-NH2 3.93Å; E156-R163 PolarHBondContact OE2-NH2 3.25Å; E156-K239 PolarHBondContact O-NZ 3.03Å
157	L	98.2	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-46.1	-171.6	-175.3	67.4	0	0	0	111.2	V138 T139 Q140 T155 V235 S264 F268	V138-L157 HydrophobicContact CG1-CB 4.13Å; T139-L157 VanDerWaalsContact O-CB 3.27Å; T139-L157 WeakPolarHBondContact O-CB 3.37Å; T139-L157 PolarHBondContact O-N 3.05Å; Q140-L157 HydrophobicContact CG-CD2 4.22Å; T155-L157 PolarHBondContact O-N 3.24Å; L157-V235 HydrophobicContact CD1-CG1 3.92Å; L157-V235 HydrophobicContact CD1-CG2 4.4Å; L157-V235 HydrophobicContact CG-CG1 4.49Å; L157-V235 HydrophobicContact CG-CG2 4.29Å; L157-V235 WeakPolarHBondContact O-CG1 3.46Å; L157-S264 WeakPolarHBondContact CD2-O 3.31Å; L157-F268 HydrophobicContact CD1-CE2 3.71Å; L157-F268 HydrophobicContact CD1-CZ 3.96Å; L157-F268 HydrophobicContact CD2-CE2 3.84Å; L157-F268 HydrophobicContact CG-CE2 4.45Å
158	H	97.6	Very high	98	Very high	31 Å²	31	41.6 Å²	41.6	14%	0.144	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	13.5	-179.1	-57.2	151.2	0	0	0	113.4	Q140 V142 E156 V228 V229 S264	Q140-H158 PolarHBondContact O-ND1 3.12Å; Q140-H158 VanDerWaalsContact O-ND1 3.16Å; V142-H158 HydrophobicContact CG1-CB 4.01Å; E156-H158 VanDerWaalsContact C-N 3.32Å; E156-H158 PolarHBondContact O-N 3.4Å; H158-V228 CarbonylContact O-C 3.53Å; H158-V228 WeakPolarHBondContact O-CA 3.33Å; H158-V229 HydrophobicContact CB-CB 4.26Å; H158-V229 PolarHBondContact O-N 3.48Å; H158-S264 PolarHBondContact CE1-OG 3.22Å; H158-S264 VanDerWaalsContact CE1-OG 3.27Å; H158-S264 WeakPolarHBondContact NE2-CB 3.31Å; H158-S264 PolarHBondContact NE2-OG 2.78Å
159	G	97.4	Very high	98	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.9	-156.5	-179.4	0	0	0	0	0	113.1	E156 D227	E156-G159 WeakPolarHBondContact CB-O 3.35Å; E156-G159 PolarHBondContact O-N 3.46Å; E156-G159 VanDerWaalsContact O-N 3.16Å; G159-D227 CarbonylContact C-O 3.52Å; G159-D227 WeakPolarHBondContact CA-O 3.14Å
160	C	97.3	Very high	97.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	135.1	-176.1	-171.8	0	0	0	0	112.5	E156 H162 R163 D227	E156-C160 WeakPolarHBondContact OE2-CB 3.35Å; C160-H162 PolarHBondContact O-N 3.42Å; C160-H162 VanDerWaalsContact O-N 3.16Å; C160-H162 PolarHBondContact SG-N 3.13Å; C160-H162 VanDerWaalsContact SG-N 3.39Å; C160-R163 VanDerWaalsContact CB-NH2 3.25Å; C160-R163 PolarHBondContact O-N 3.29Å; C160-R163 VanDerWaalsContact O-N 3.16Å; C160-D227 PolarHBondContact N-O 2.88Å
161	M	96.1	Very high	97.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-14.9	175.5	-69	-58.4	-61.7	0	0	113.3	Y102 N106 W110 F113 V142 R163 R175 D199 P226 V228	Y102-M161 WeakPolarHBondContact OH-CE 3.17Å; N106-M161 WeakPolarHBondContact ND2-CE 3.24Å; W110-M161 HydrophobicContact CZ3-CB 4.48Å; W110-M161 WeakPolarHBondContact CZ3-O 3.27Å; F113-M161 HydrophobicContact CD1-CB 4.38Å; F113-M161 HydrophobicContact CE1-CB 3.64Å; F113-M161 HydrophobicContact CE1-CG 4Å; F113-M161 HydrophobicContact CZ-CB 4.3Å; F113-M161 HydrophobicContact CZ-CG 4.18Å; V142-M161 HydrophobicContact CB-CG 3.93Å; V142-M161 HydrophobicContact CG2-CG 3.57Å; V142-M161 HydrophobicContact CG2-SD 4.42Å; V142-M161 WeakPolarHBondContact O-CB 3.35Å; V142-M161 PolarHBondContact O-N 3.31Å; M161-R163 PolarHBondContact O-N 2.92Å; M161-R175 VanDerWaalsContact O-CB 3.25Å; M161-R175 WeakPolarHBondContact O-CB 3.19Å; M161-R175 WeakPolarHBondContact O-CG 3.31Å; M161-D199 WeakPolarHBondContact CE-O 3.38Å; M161-D199 HydrophobicContact SD-CB 4.49Å; M161-P226 HydrophobicContact CE-CB 4.35Å; M161-P226 HydrophobicContact SD-CB 4.2Å; M161-V228 HydrophobicContact CG-CG1 4.08Å; M161-V228 HydrophobicContact SD-CB 4.4Å; M161-V228 HydrophobicContact SD-CG1 3.52Å; M161-V228 VanDerWaalsContact SD-CG1 3.52Å; M161-V228 HydrophobicContact SD-CG2 4.04Å
162	H	97.8	Very high	97.8	Very high	46 Å²	46	48.3 Å²	48.3	21%	0.213	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-0.2	175.8	-73.7	-110.2	0	0	0	113.9	W110 C160 R175	W110-H162 HydrophobicContact CH2-CB 4.27Å; W110-H162 AromaticContact CH2-CD2 3.89Å; W110-H162 AromaticContact CH2-CE1 3.67Å; W110-H162 AromaticContact CH2-CG 3.67Å; W110-H162 AromaticContact CH2-ND1 3.55Å; W110-H162 AromaticContact CH2-NE2 3.89Å; C160-H162 PolarHBondContact O-N 3.42Å; C160-H162 VanDerWaalsContact O-N 3.16Å; C160-H162 PolarHBondContact SG-N 3.13Å; C160-H162 VanDerWaalsContact SG-N 3.39Å; H162-R175 PolarHBondContact O-N 3.06Å
163	R	98.2	Very high	97.8	Very high	64 Å²	64	39.6 Å²	39.6	24%	0.242	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.4	178.6	-62.6	-177	-53.8	-94.5	0.7	111	E156 C160 M161 Q172 D227	E156-R163 IonicContact OE1-NH1 3.6Å; E156-R163 IonicContact OE2-CZ 2.7Å; E156-R163 IonicContact OE2-NH1 2.8Å; E156-R163 PolarHBondContact OE2-NH1 3.43Å; E156-R163 IonicContact OE2-NH2 3.93Å; E156-R163 PolarHBondContact OE2-NH2 3.25Å; C160-R163 VanDerWaalsContact CB-NH2 3.25Å; C160-R163 PolarHBondContact O-N 3.29Å; C160-R163 VanDerWaalsContact O-N 3.16Å; M161-R163 PolarHBondContact O-N 2.92Å; R163-Q172 HydrophobicContact CB-CG 4.38Å; R163-Q172 VanDerWaalsContact NE-NE2 3.19Å; R163-D227 HydrophobicContact CB-CB 3.74Å; R163-D227 IonicContact CZ-OD2 3.52Å; R163-D227 IonicContact NE-OD2 3.45Å; R163-D227 PolarHBondContact NE-OD2 3.15Å; R163-D227 IonicContact NH2-OD2 3.08Å; R163-D227 PolarHBondContact NH2-OD2 3.37Å; R163-D227 VanDerWaalsContact NH2-OD2 3.1Å; R163-D227 PolarHBondContact O-N 3.33Å
164	V	98.3	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.7	179.2	179.3	0	0	0	0	107.5	W103 Q172 T173 R175 L178 L224 K225	W103-V164 HydrophobicContact CH2-CG1 4.3Å; W103-V164 HydrophobicContact CH2-CG2 4.09Å; W103-V164 HydrophobicContact CZ2-CG1 4.37Å; V164-Q172 CarbonylContact O-C 3.51Å; V164-Q172 VanDerWaalsContact O-CA 3.25Å; V164-Q172 WeakPolarHBondContact O-CA 3.48Å; V164-T173 PolarHBondContact N-O 3.14Å; V164-T173 PolarHBondContact O-N 3.47Å; V164-R175 HydrophobicContact CG2-CB 3.99Å; V164-R175 HydrophobicContact CG2-CG 4.42Å; V164-L178 HydrophobicContact CG1-CD2 4.05Å; V164-L178 HydrophobicContact CG2-CB 4.31Å; V164-L178 HydrophobicContact CG2-CD2 3.84Å; V164-L224 HydrophobicContact CG1-CB 3.87Å; V164-L224 HydrophobicContact CG1-CD1 4.33Å; V164-L224 HydrophobicContact CG1-CD2 4.21Å; V164-L224 HydrophobicContact CG1-CG 4.37Å; V164-K225 CarbonylContact C-O 3.59Å; V164-K225 WeakPolarHBondContact CA-O 3.48Å; V164-K225 WeakPolarHBondContact CG1-O 3.38Å
165	L	97.5	Very high	97.7	Very high	33 Å²	33	36.6 Å²	36.6	17%	0.173	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.8	174.3	64.6	97	0	0	0	111.3	L167 E171 K225 D227	L165-L167 HydrophobicContact CD1-CD2 3.75Å; L165-L167 HydrophobicContact CD1-CG 4.45Å; L165-E171 CarbonylContact C-O 3.49Å; L165-E171 VanDerWaalsContact CA-O 3.3Å; L165-E171 WeakPolarHBondContact CA-O 3.43Å; L165-K225 HydrophobicContact CD1-CB 4.16Å; L165-K225 HydrophobicContact CG-CB 4.34Å; L165-K225 PolarHBondContact N-O 2.78Å; L165-K225 PolarHBondContact O-N 3.4Å; L165-D227 HydrophobicContact CD2-CB 3.94Å
166	C	98.3	Very high	97.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.4	164.6	-178.3	0	0	0	0	110.3	N168 G170 E171 C217 C220 L224	C166-N168 VanDerWaalsContact C-N 3.27Å; C166-N168 PolarHBondContact O-N 3.44Å; C166-N168 PolarHBondContact SG-N 2.84Å; C166-N168 VanDerWaalsContact SG-N 3.39Å; C166-G170 VanDerWaalsContact O-CA 3.27Å; C166-G170 WeakPolarHBondContact O-CA 3.47Å; C166-G170 PolarHBondContact O-N 2.86Å; C166-E171 HydrophobicContact CB-CB 4.29Å; C166-E171 PolarHBondContact N-O 2.87Å; C166-C217 HydrophobicContact CB-CB 3.89Å; C166-C217 WeakPolarHBondContact SG-CB 3.38Å; C166-C220 PolarHBondContact SG-SG 2.86Å; C166-L224 HydrophobicContact CB-CD2 4.06Å
167	L	97	Very high	97.6	Very high	53 Å²	53	46 Å²	46	28%	0.277	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-20.2	178.7	-65.8	172.8	0	0	0	113.6	F92 I93 L165 P223 K225	F92-L167 HydrophobicContact CE1-CD1 4.23Å; I93-L167 HydrophobicContact CD1-CD1 3.53Å; I93-L167 HydrophobicContact CD1-CD2 3.63Å; I93-L167 HydrophobicContact CD1-CG 4.22Å; L165-L167 HydrophobicContact CD1-CD2 3.75Å; L165-L167 HydrophobicContact CD1-CG 4.45Å; L167-P223 HydrophobicContact CB-CG 4.15Å; L167-P223 HydrophobicContact CD1-CB 4.22Å; L167-P223 HydrophobicContact CD1-CG 4.01Å; L167-P223 PolarHBondContact N-O 3.15Å; L167-K225 HydrophobicContact CD1-CB 4.32Å; L167-K225 HydrophobicContact CD2-CB 3.84Å; L167-K225 HydrophobicContact CD2-CD 4.04Å; L167-K225 HydrophobicContact CG-CB 4.05Å
168	N	97.9	Very high	97.6	Very high	115 Å²	115	46.1 Å²	46.1	62%	0.615	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-55.3	-179	-68.7	5.7	0	0	0	111.7	C166 G222	C166-N168 VanDerWaalsContact C-N 3.27Å; C166-N168 PolarHBondContact O-N 3.44Å; C166-N168 PolarHBondContact SG-N 2.84Å; C166-N168 VanDerWaalsContact SG-N 3.39Å; N168-G222 WeakPolarHBondContact ND2-CA 3.41Å
169	C	97.6	Very high	97.6	Very high	47 Å²	47	45.4 Å²	45.4	32%	0.318	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-1.8	-172.8	73.4	0	0	0	0	114.4	E171 C220	C169-E171 PolarHBondContact O-N 2.85Å; C169-E171 VanDerWaalsContact SG-CB 3.56Å; C169-C220 HydrophobicContact CB-CB 4.21Å; C169-C220 PolarHBondContact SG-SG 3.5Å
170	G	96.7	Very high	97.6	Very high	54 Å²	54	50.1 Å²	50.1	56%	0.557	26%	0.263	S	S	*	.			trans	72.1	3.2	178.8	0	0	0	0	0	115.6	C166 Q172	C166-G170 VanDerWaalsContact O-CA 3.27Å; C166-G170 WeakPolarHBondContact O-CA 3.47Å; C166-G170 PolarHBondContact O-N 2.86Å; G170-Q172 PolarHBondContact O-N 3.5Å
171	E	97.6	Very high	97.6	Very high	69 Å²	69	52.5 Å²	52.5	32%	0.322	27%	0.271	S	S	.	.			trans	-55.8	130.7	179.8	-173.1	63.2	-140.9	0	0	110.5	L165 C166 C169 T173 R219	L165-E171 CarbonylContact C-O 3.49Å; L165-E171 VanDerWaalsContact CA-O 3.3Å; L165-E171 WeakPolarHBondContact CA-O 3.43Å; C166-E171 HydrophobicContact CB-CB 4.29Å; C166-E171 PolarHBondContact N-O 2.87Å; C169-E171 PolarHBondContact O-N 2.85Å; C169-E171 VanDerWaalsContact SG-CB 3.56Å; E171-T173 HydrophobicContact CG-CG2 4.44Å; E171-R219 WeakPolarHBondContact OE2-CD 3.4Å; E171-R219 IonicContact OE2-CZ 3.88Å; E171-R219 IonicContact OE2-NH1 3.72Å; E171-R219 PolarHBondContact OE2-NH1 2.89Å
172	Q	97.8	Very high	97.7	Very high	97 Å²	97	52.4 Å²	52.4	45%	0.453	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.5	-177.5	-171.1	175.5	36.7	0	0	111.1	R163 V164 G170 D227	R163-Q172 HydrophobicContact CB-CG 4.38Å; R163-Q172 VanDerWaalsContact NE-NE2 3.19Å; V164-Q172 CarbonylContact O-C 3.51Å; V164-Q172 VanDerWaalsContact O-CA 3.25Å; V164-Q172 WeakPolarHBondContact O-CA 3.48Å; G170-Q172 PolarHBondContact O-N 3.5Å; Q172-D227 PolarHBondContact NE2-OD2 2.86Å
173	T	98.1	Very high	97.6	Very high	41 Å²	41	55.4 Å²	55.4	25%	0.252	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.4	-179.3	58.9	0	0	0	0	111.8	V164 E171 R175	V164-T173 PolarHBondContact N-O 3.14Å; V164-T173 PolarHBondContact O-N 3.47Å; E171-T173 HydrophobicContact CG-CG2 4.44Å; T173-R175 PolarHBondContact O-N 3.15Å
174	P	98.3	Very high	97.6	Very high	77 Å²	77	58.2 Å²	58.2	50%	0.5	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	136.3	171.6	-20.6	32.3	0	0	0	111.8	R176 V177	P174-R176 PolarHBondContact O-N 3.47Å; P174-R176 VanDerWaalsContact O-N 3.15Å; P174-V177 HydrophobicContact CB-CG2 4.27Å; P174-V177 HydrophobicContact CG-CG2 4.37Å; P174-V177 WeakPolarHBondContact O-CB 3.48Å; P174-V177 PolarHBondContact O-N 2.85Å; P174-V177 VanDerWaalsContact O-N 3.07Å
175	R	97.9	Very high	97.5	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-59.6	-27.4	178.5	176.1	59.9	-173.3	77.1	2.4	113.3	N106 W110 M161 H162 V164 T173 V177 L178 Q179	N106-R175 VanDerWaalsContact OD1-CZ 3.29Å; N106-R175 PolarHBondContact OD1-NE 2.88Å; N106-R175 PolarHBondContact OD1-NH2 2.79Å; W110-R175 HydrophobicContact CD2-CG 3.83Å; W110-R175 HydrophobicContact CE3-CG 3.64Å; W110-R175 HydrophobicContact CH2-CB 3.73Å; W110-R175 HydrophobicContact CH2-CG 3.55Å; W110-R175 HydrophobicContact CZ2-CB 3.98Å; W110-R175 HydrophobicContact CZ2-CG 3.73Å; W110-R175 HydrophobicContact CZ3-CB 4.12Å; W110-R175 HydrophobicContact CZ3-CG 3.51Å; M161-R175 VanDerWaalsContact O-CB 3.25Å; M161-R175 WeakPolarHBondContact O-CB 3.19Å; M161-R175 WeakPolarHBondContact O-CG 3.31Å; H162-R175 PolarHBondContact O-N 3.06Å; V164-R175 HydrophobicContact CG2-CB 3.99Å; V164-R175 HydrophobicContact CG2-CG 4.42Å; T173-R175 PolarHBondContact O-N 3.15Å; R175-V177 VanDerWaalsContact C-N 3.33Å; R175-V177 PolarHBondContact O-N 3.16Å; R175-L178 PolarHBondContact O-N 3.39Å; R175-Q179 VanDerWaalsContact CZ-OE1 3.28Å; R175-Q179 VanDerWaalsContact NH1-N 3.15Å; R175-Q179 PolarHBondContact O-N 3.39Å; R175-Q179 VanDerWaalsContact O-N 3.08Å
176	R	97.6	Very high	97.5	Very high	176 Å²	176	60.4 Å²	60.4	66%	0.664	32%	0.321	S	S	*	.	H	α-helix	trans	-58.1	-43.6	174.5	-175.5	-174.2	-63.9	154.5	-0.6	111.9	P174 L178 Q179 E180	P174-R176 PolarHBondContact O-N 3.47Å; P174-R176 VanDerWaalsContact O-N 3.15Å; R176-L178 VanDerWaalsContact C-N 3.29Å; R176-L178 PolarHBondContact O-N 3.16Å; R176-Q179 WeakPolarHBondContact O-CA 3.45Å; R176-Q179 WeakPolarHBondContact O-CB 3.4Å; R176-Q179 PolarHBondContact O-N 2.87Å; R176-E180 PolarHBondContact O-N 3.43Å
177	V	97.8	Very high	97.3	Very high	58 Å²	58	65.8 Å²	65.8	35%	0.352	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-41.9	178.1	178.8	0	0	0	0	110.3	P174 R175 Q179 E180 R181	P174-V177 HydrophobicContact CB-CG2 4.27Å; P174-V177 HydrophobicContact CG-CG2 4.37Å; P174-V177 WeakPolarHBondContact O-CB 3.48Å; P174-V177 PolarHBondContact O-N 2.85Å; P174-V177 VanDerWaalsContact O-N 3.07Å; R175-V177 VanDerWaalsContact C-N 3.33Å; R175-V177 PolarHBondContact O-N 3.16Å; V177-Q179 VanDerWaalsContact C-N 3.26Å; V177-Q179 PolarHBondContact O-N 3.35Å; V177-E180 PolarHBondContact O-N 2.87Å; V177-R181 WeakPolarHBondContact O-CG 3.32Å; V177-R181 PolarHBondContact O-N 3.41Å; V177-R181 VanDerWaalsContact O-N 3.11Å
178	L	97.7	Very high	97	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-64.6	-30	175.1	-173.7	62.8	0	0	0	112.5	W103 V164 R175 R176 R181 F182 P215 L224	W103-L178 HydrophobicContact CD2-CD2 4.46Å; W103-L178 HydrophobicContact CE3-CD2 4.09Å; W103-L178 HydrophobicContact CH2-CD2 3.51Å; W103-L178 HydrophobicContact CZ2-CD2 3.88Å; W103-L178 HydrophobicContact CZ3-CD2 3.64Å; V164-L178 HydrophobicContact CG1-CD2 4.05Å; V164-L178 HydrophobicContact CG2-CB 4.31Å; V164-L178 HydrophobicContact CG2-CD2 3.84Å; R175-L178 PolarHBondContact O-N 3.39Å; R176-L178 VanDerWaalsContact C-N 3.29Å; R176-L178 PolarHBondContact O-N 3.16Å; L178-R181 PolarHBondContact O-N 2.9Å; L178-F182 HydrophobicContact CD1-CE2 4.14Å; L178-F182 HydrophobicContact CD1-CZ 4.2Å; L178-F182 HydrophobicContact CD2-CE2 3.62Å; L178-F182 HydrophobicContact CD2-CZ 3.88Å; L178-F182 HydrophobicContact CG-CD2 3.9Å; L178-F182 HydrophobicContact CG-CE2 3.43Å; L178-F182 VanDerWaalsContact CG-CE2 3.43Å; L178-F182 HydrophobicContact CG-CZ 3.91Å; L178-F182 WeakPolarHBondContact O-CD2 3.44Å; L178-F182 WeakPolarHBondContact O-CG 3.27Å; L178-F182 PolarHBondContact O-N 2.89Å; L178-P215 HydrophobicContact CD1-CB 4.08Å; L178-P215 HydrophobicContact CD1-CG 4Å; L178-L224 HydrophobicContact CD1-CD1 3.67Å; L178-L224 HydrophobicContact CD2-CD1 4.38Å
179	Q	97.2	Very high	96.7	Very high	15 Å²	15	64.8 Å²	64.8	7%	0.07	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-45.6	175.6	-168.5	69.5	6.4	0	0	111.5	F107 W110 R175 R176 V177 R181 F182 Q183	F107-Q179 VanDerWaalsContact CD2-CD 3.47Å; F107-Q179 HydrophobicContact CE2-CG 4.48Å; F107-Q179 PolarHBondContact O-NE2 3.21Å; F107-Q179 VanDerWaalsContact O-NE2 3.07Å; W110-Q179 VanDerWaalsContact CD1-CD 3.44Å; R175-Q179 VanDerWaalsContact CZ-OE1 3.28Å; R175-Q179 VanDerWaalsContact NH1-N 3.15Å; R175-Q179 PolarHBondContact O-N 3.39Å; R175-Q179 VanDerWaalsContact O-N 3.08Å; R176-Q179 WeakPolarHBondContact O-CA 3.45Å; R176-Q179 WeakPolarHBondContact O-CB 3.4Å; R176-Q179 PolarHBondContact O-N 2.87Å; V177-Q179 VanDerWaalsContact C-N 3.26Å; V177-Q179 PolarHBondContact O-N 3.35Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 2.89Å; Q179-F182 WeakPolarHBondContact O-CB 3.28Å; Q179-F182 PolarHBondContact O-N 3.49Å; Q179-Q183 WeakPolarHBondContact O-CG 3.4Å; Q179-Q183 PolarHBondContact O-N 2.87Å
180	E	97.6	Very high	96	Very high	100 Å²	100	67.6 Å²	67.6	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-42.7	177.6	-66.7	158.7	-164.8	0	0	110.2	R176 V177 F182 Q183 V184	R176-E180 PolarHBondContact O-N 3.43Å; V177-E180 PolarHBondContact O-N 2.87Å; E180-F182 PolarHBondContact O-N 2.59Å; E180-Q183 WeakPolarHBondContact O-CB 3.44Å; E180-Q183 PolarHBondContact O-N 3.15Å; E180-V184 WeakPolarHBondContact O-CG2 3.46Å; E180-V184 PolarHBondContact O-N 3.31Å
181	R	97.9	Very high	95.4	Very high	51 Å²	51	66.3 Å²	66.3	19%	0.192	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-39.3	175.6	-65.6	175.1	70.7	-147.3	-1.9	112.7	V177 L178 Q179 Q183 V184 L185 P215 S216 D218	V177-R181 WeakPolarHBondContact O-CG 3.32Å; V177-R181 PolarHBondContact O-N 3.41Å; V177-R181 VanDerWaalsContact O-N 3.11Å; L178-R181 PolarHBondContact O-N 2.9Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 2.89Å; R181-Q183 VanDerWaalsContact C-N 3.35Å; R181-V184 PolarHBondContact O-N 2.84Å; R181-L185 WeakPolarHBondContact O-CB 3.29Å; R181-L185 PolarHBondContact O-N 2.99Å; R181-P215 HydrophobicContact CB-CB 4.33Å; R181-P215 HydrophobicContact CB-CG 3.96Å; R181-S216 PolarHBondContact NH1-O 3.45Å; R181-S216 VanDerWaalsContact NH1-O 3.09Å; R181-S216 PolarHBondContact NH2-O 3.24Å; R181-D218 VanDerWaalsContact CZ-CG 3.46Å; R181-D218 IonicContact CZ-OD1 3.24Å; R181-D218 IonicContact CZ-OD2 2.77Å; R181-D218 IonicContact NE-OD1 3.31Å; R181-D218 IonicContact NE-OD2 3.49Å; R181-D218 PolarHBondContact NE-OD2 3.38Å; R181-D218 IonicContact NH1-OD1 3.32Å; R181-D218 IonicContact NH1-OD2 3.37Å; R181-D218 PolarHBondContact NH1-OD2 3.23Å; R181-D218 IonicContact NH2-OD1 3.31Å; R181-D218 PolarHBondContact NH2-OD1 3.09Å; R181-D218 IonicContact NH2-OD2 2.84Å; R181-D218 PolarHBondContact NH2-OD2 3.07Å
182	F	97.5	Very high	94.3	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-43.2	172.8	-77.1	-55.3	0	0	0	111.9	W103 F107 L178 Q179 E180 L185 N186 F212 V214 P215	W103-F182 HydrophobicContact CB-CE1 4.09Å; W103-F182 HydrophobicContact CB-CZ 3.7Å; W103-F182 HydrophobicContact CD2-CE2 4.35Å; W103-F182 AromaticContact CD2-CZ 3.75Å; W103-F182 HydrophobicContact CD2-CZ 3.75Å; W103-F182 AromaticContact CE3-CE2 3.82Å; W103-F182 HydrophobicContact CE3-CE2 3.82Å; W103-F182 AromaticContact CE3-CZ 3.7Å; W103-F182 HydrophobicContact CE3-CZ 3.7Å; W103-F182 HydrophobicContact CG-CE1 4.48Å; W103-F182 AromaticContact CG-CZ 3.8Å; W103-F182 HydrophobicContact CG-CZ 3.8Å; W103-F182 HydrophobicContact CZ3-CE2 4.38Å; F107-F182 HydrophobicContact CB-CD2 4.3Å; F107-F182 HydrophobicContact CD2-CB 3.37Å; F107-F182 AromaticContact CD2-CD2 3.84Å; F107-F182 HydrophobicContact CD2-CD2 3.84Å; F107-F182 AromaticContact CD2-CG 3.83Å; F107-F182 HydrophobicContact CD2-CG 3.83Å; F107-F182 HydrophobicContact CE2-CB 3.52Å; F107-F182 HydrophobicContact CE2-CG 4.46Å; F107-F182 HydrophobicContact CG-CB 4.26Å; F107-F182 HydrophobicContact CG-CD2 4.48Å; F107-F182 HydrophobicContact CG-CG 4.45Å; F107-F182 HydrophobicContact CZ-CB 4.49Å; L178-F182 HydrophobicContact CD1-CE2 4.14Å; L178-F182 HydrophobicContact CD1-CZ 4.2Å; L178-F182 HydrophobicContact CD2-CE2 3.62Å; L178-F182 HydrophobicContact CD2-CZ 3.88Å; L178-F182 HydrophobicContact CG-CD2 3.9Å; L178-F182 HydrophobicContact CG-CE2 3.43Å; L178-F182 VanDerWaalsContact CG-CE2 3.43Å; L178-F182 HydrophobicContact CG-CZ 3.91Å; L178-F182 WeakPolarHBondContact O-CD2 3.44Å; L178-F182 WeakPolarHBondContact O-CG 3.27Å; L178-F182 PolarHBondContact O-N 2.89Å; Q179-F182 WeakPolarHBondContact O-CB 3.28Å; Q179-F182 PolarHBondContact O-N 3.49Å; E180-F182 PolarHBondContact O-N 2.59Å; F182-L185 PolarHBondContact O-N 3.35Å; F182-N186 VanDerWaalsContact O-CB 3.24Å; F182-N186 WeakPolarHBondContact O-CB 3.37Å; F182-N186 PolarHBondContact O-N 3.45Å; F182-N186 PolarHBondContact O-ND2 2.93Å; F182-F212 HydrophobicContact CB-CZ 4.45Å; F182-F212 AromaticContact CD1-CE1 3.73Å; F182-F212 HydrophobicContact CD1-CE1 3.73Å; F182-F212 HydrophobicContact CD1-CE2 4.29Å; F182-F212 AromaticContact CD1-CZ 3.3Å; F182-F212 HydrophobicContact CD1-CZ 3.3Å; F182-F212 AromaticContact CE1-CE1 3.49Å; F182-F212 HydrophobicContact CE1-CE1 3.49Å; F182-F212 VanDerWaalsContact CE1-CE1 3.49Å; F182-F212 AromaticContact CE1-CZ 3.53Å; F182-F212 HydrophobicContact CE1-CZ 3.53Å; F182-F212 AromaticContact CG-CZ 3.92Å; F182-F212 HydrophobicContact CG-CZ 3.92Å; F182-F212 HydrophobicContact CZ-CE1 4.31Å; F182-F212 HydrophobicContact CZ-CZ 4.31Å; F182-V214 HydrophobicContact CE1-CG1 4.27Å; F182-P215 HydrophobicContact CD1-CG 3.95Å; F182-P215 HydrophobicContact CE1-CG 4.18Å
183	Q	96.1	Very high	93	Very high	108 Å²	108	69 Å²	69	51%	0.505	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-43	179.7	-70.5	170.5	-30.3	0	0	112	F107 Q179 E180 R181 N186	F107-Q183 HydrophobicContact CE2-CG 3.92Å; F107-Q183 HydrophobicContact CZ-CG 4.11Å; Q179-Q183 WeakPolarHBondContact O-CG 3.4Å; Q179-Q183 PolarHBondContact O-N 2.87Å; E180-Q183 WeakPolarHBondContact O-CB 3.44Å; E180-Q183 PolarHBondContact O-N 3.15Å; R181-Q183 VanDerWaalsContact C-N 3.35Å; Q183-N186 CarbonylContact O-C 3.54Å; Q183-N186 PolarHBondContact O-N 3.46Å
184	V	97.1	Very high	91.6	Very high	124 Å²	124	73.7 Å²	73.7	75%	0.752	40%	0.402	S	S	*	.	H	α-helix	trans	-64.7	-42.3	176.7	174	0	0	0	0	111.4	E180 R181 N186	E180-V184 WeakPolarHBondContact O-CG2 3.46Å; E180-V184 PolarHBondContact O-N 3.31Å; R181-V184 PolarHBondContact O-N 2.84Å; V184-N186 VanDerWaalsContact C-N 3.34Å
185	L	97.1	Very high	90.2	Very high	68 Å²	68	72.1 Å²	72.1	36%	0.356	40%	0.4	S	S	.	.	H	α-helix	trans	-77.5	-20.9	-177.2	-168.6	62.9	0	0	0	113.2	R181 F182 P187 Q213 P215	R181-L185 WeakPolarHBondContact O-CB 3.29Å; R181-L185 PolarHBondContact O-N 2.99Å; F182-L185 PolarHBondContact O-N 3.35Å; L185-P187 VanDerWaalsContact C-CD 3.46Å; L185-Q213 HydrophobicContact CD2-CB 3.63Å; L185-Q213 HydrophobicContact CG-CB 3.72Å; L185-P215 HydrophobicContact CD2-CB 4.33Å; L185-P215 HydrophobicContact CD2-CG 3.79Å
186	N	96.8	Very high	89.1	Confident	11 Å²	11	73 Å²	73	6%	0.059	41%	0.405	C	S	.	.			trans	-128.7	56.3	-175.1	-59	-85.5	0	0	0	112.2	F182 Q183 V184 S188 W189 F212 Q213	F182-N186 VanDerWaalsContact O-CB 3.24Å; F182-N186 WeakPolarHBondContact O-CB 3.37Å; F182-N186 PolarHBondContact O-N 3.45Å; F182-N186 PolarHBondContact O-ND2 2.93Å; Q183-N186 CarbonylContact O-C 3.54Å; Q183-N186 PolarHBondContact O-N 3.46Å; V184-N186 VanDerWaalsContact C-N 3.34Å; N186-S188 VanDerWaalsContact C-N 3.3Å; N186-S188 PolarHBondContact O-N 3.08Å; N186-W189 HydrophobicContact CB-CB 3.69Å; N186-W189 HydrophobicContact CB-CG 4.47Å; N186-W189 PolarHBondContact O-N 2.96Å; N186-W189 VanDerWaalsContact O-N 3.13Å; N186-F212 HydrophobicContact CB-CE2 4.48Å; N186-Q213 PolarHBondContact ND2-O 2.68Å; N186-Q213 PolarHBondContact OD1-N 3.47Å
187	P	94.3	Very high	88.2	Confident	114 Å²	114	64.7 Å²	64.7	74%	0.74	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.6	-167	27	-35.9	0	0	0	114	L185	L185-P187 VanDerWaalsContact C-CD 3.46Å
188	S	91.6	Very high	87	Confident	117 Å²	117	62.3 Å²	62.3	82%	0.818	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	5	179.3	62.3	0	0	0	0	113.1	N186	N186-S188 VanDerWaalsContact C-N 3.3Å; N186-S188 PolarHBondContact O-N 3.08Å
189	W	91.3	Very high	85.9	Confident	30 Å²	30	63.4 Å²	63.4	11%	0.114	37%	0.366	C	S	.	.			trans	-87.3	126.1	-175.2	-164.9	96	0	0	0	110.4	A104 F107 V108 N186 A191 L204 Q208 F212	A104-W189 HydrophobicContact CB-CH2 4.44Å; A104-W189 HydrophobicContact CB-CZ2 4.24Å; F107-W189 HydrophobicContact CD1-CE3 4.05Å; F107-W189 AromaticContact CD1-CZ3 3.83Å; F107-W189 HydrophobicContact CD1-CZ3 3.83Å; F107-W189 AromaticContact CE1-CE3 3.92Å; F107-W189 HydrophobicContact CE1-CE3 3.92Å; F107-W189 HydrophobicContact CE1-CZ3 4.07Å; V108-W189 HydrophobicContact CG2-CH2 3.52Å; V108-W189 HydrophobicContact CG2-CZ3 3.37Å; N186-W189 HydrophobicContact CB-CB 3.69Å; N186-W189 HydrophobicContact CB-CG 4.47Å; N186-W189 PolarHBondContact O-N 2.96Å; N186-W189 VanDerWaalsContact O-N 3.13Å; W189-A191 HydrophobicContact CH2-CB 3.46Å; W189-A191 VanDerWaalsContact CH2-CB 3.46Å; W189-A191 HydrophobicContact CZ2-CB 3.96Å; W189-A191 HydrophobicContact CZ3-CB 3.91Å; W189-L204 HydrophobicContact CH2-CD1 3.7Å; W189-L204 HydrophobicContact CZ2-CD1 4.17Å; W189-Q208 WeakPolarHBondContact CZ2-O 3.34Å; W189-Q208 PolarHBondContact NE1-O 3.08Å; W189-F212 AromaticContact CD2-CD2 3.71Å; W189-F212 HydrophobicContact CD2-CD2 3.71Å; W189-F212 HydrophobicContact CD2-CE2 4.41Å; W189-F212 AromaticContact CE2-CD2 3.75Å; W189-F212 HydrophobicContact CE3-CD2 4.09Å; W189-F212 HydrophobicContact CE3-CE2 4.37Å; W189-F212 HydrophobicContact CG-CD2 4.04Å; W189-F212 HydrophobicContact CH2-CD2 4.5Å; W189-F212 HydrophobicContact CZ2-CB 4.47Å; W189-F212 HydrophobicContact CZ2-CD2 4.17Å; W189-F212 HydrophobicContact CZ3-CD2 4.47Å
190	S	82.3	Confident	84.8	Confident	107 Å²	107	62.8 Å²	62.8	75%	0.748	36%	0.363	S	S	*	.			trans	-144.8	143.3	174.3	63.3	0	0	0	0	109.8
191	A	83.1	Confident	84	Confident	26 Å²	26	59.2 Å²	59.2	22%	0.215	35%	0.347	C	S	.	.			trans	-145.1	146.9	171.1	0	0	0	0	0	110.7	V108 W189 L204	V108-A191 HydrophobicContact CG2-CB 4.43Å; W189-A191 HydrophobicContact CH2-CB 3.46Å; W189-A191 VanDerWaalsContact CH2-CB 3.46Å; W189-A191 HydrophobicContact CZ2-CB 3.96Å; W189-A191 HydrophobicContact CZ3-CB 3.91Å; A191-L204 HydrophobicContact CB-CD1 4.48Å; A191-L204 HydrophobicContact CB-CD2 3.5Å
192	E	76	Confident	83.2	Confident	173 Å²	173	56.9 Å²	56.9	81%	0.808	34%	0.339	S	S	*	.			trans	-83.3	126.4	171.8	-67.7	-172.3	173.9	0	0	110.2
193	A	70.3	Confident	82.4	Confident	51 Å²	51	61.1 Å²	61.1	42%	0.421	36%	0.357	S	S	.	.			trans	-89	135.8	-177.3	0	0	0	0	0	111.3	V108 V202	V108-A193 HydrophobicContact CG1-CB 3.34Å; A193-V202 HydrophobicContact CB-CB 3.93Å; A193-V202 HydrophobicContact CB-CG1 3.98Å; A193-V202 HydrophobicContact CB-CG2 3.99Å
194	Q	69.3	Low	81.6	Confident	138 Å²	138	56.1 Å²	56.1	65%	0.645	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.2	168.6	-65.4	-173.6	-0.4	0	0	111.6	R84 F203	R84-Q194 PolarHBondContact NH2-O 3.05Å; Q194-F203 WeakPolarHBondContact O-CB 3.37Å; Q194-F203 PolarHBondContact O-N 3.48Å
195	G	67.7	Low	81	Confident	44 Å²	44	53 Å²	53	45%	0.454	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	65.4	139	173.6	0	0	0	0	0	114.7	R84 V202	R84-G195 PolarHBondContact NH1-O 3.24Å; G195-V202 WeakPolarHBondContact O-CA 3.42Å
196	V	74.3	Confident	80.2	Confident	20 Å²	20	54.7 Å²	54.7	12%	0.121	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.9	-178.6	179.5	0	0	0	0	110	P69 V202	P69-V196 VanDerWaalsContact CG-O 3.26Å; P69-V196 WeakPolarHBondContact CG-O 3.27Å; V196-V202 HydrophobicContact CG2-CG1 4.16Å
197	A	79.1	Confident	79.5	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.008	36%	0.356	C	S	.	.			trans	-96.7	166.2	172.1	0	0	0	0	0	111.6	L78 D199 G200 D201	L78-A197 HydrophobicContact CD1-CB 4.17Å; L78-A197 HydrophobicContact CD2-CB 3.95Å; A197-D199 WeakPolarHBondContact CB-OD1 3.5Å; A197-D199 PolarHBondContact O-N 3.2Å; A197-D199 VanDerWaalsContact O-N 3.14Å; A197-G200 PolarHBondContact O-N 3.17Å; A197-D201 HydrophobicContact CB-CB 4Å; A197-D201 WeakPolarHBondContact CB-O 3.39Å; A197-D201 PolarHBondContact N-O 3.01Å
198	P	72.7	Confident	79	Confident	8 Å²	8	60 Å²	60	5%	0.052	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.8	-176.2	-22.3	33.4	0	0	0	115.1	P69 Y71 F113	P69-P198 HydrophobicContact CG-CG 4.41Å; P69-P198 WeakPolarHBondContact O-CB 3.47Å; P69-P198 WeakPolarHBondContact O-CG 3.29Å; Y71-P198 HydrophobicContact CD1-CG 3.9Å; Y71-P198 HydrophobicContact CD2-CB 4.09Å; Y71-P198 HydrophobicContact CD2-CG 3.84Å; Y71-P198 HydrophobicContact CE1-CB 4.19Å; Y71-P198 HydrophobicContact CE1-CG 3.77Å; Y71-P198 HydrophobicContact CE2-CB 3.53Å; Y71-P198 HydrophobicContact CE2-CG 3.72Å; Y71-P198 HydrophobicContact CG-CG 3.93Å; F113-P198 VanDerWaalsContact CE2-O 3.3Å; F113-P198 WeakPolarHBondContact CE2-O 3.39Å
199	D	75.1	Confident	78.9	Confident	26 Å²	26	54.6 Å²	54.6	14%	0.139	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	6.9	176	58	0.7	0	0	0	112.9	V142 M161 A197 D201	V142-D199 HydrophobicContact CG2-CB 4.23Å; M161-D199 WeakPolarHBondContact CE-O 3.38Å; M161-D199 HydrophobicContact SD-CB 4.49Å; A197-D199 WeakPolarHBondContact CB-OD1 3.5Å; A197-D199 PolarHBondContact O-N 3.2Å; A197-D199 VanDerWaalsContact O-N 3.14Å; D199-D201 VanDerWaalsContact C-N 3.33Å; D199-D201 VanDerWaalsContact OD1-CB 3.25Å; D199-D201 WeakPolarHBondContact OD1-CB 3.05Å; D199-D201 PolarHBondContact OD1-N 3.2Å; D199-D201 VanDerWaalsContact OD1-N 3.15Å
200	G	74.4	Confident	78.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.01	33%	0.33	C	S	.	.	S	Bend	trans	82.8	6	-179	0	0	0	0	0	114.5	G109 A197	G109-G200 WeakPolarHBondContact CA-O 3.45Å; A197-G200 PolarHBondContact O-N 3.17Å
201	D	79.5	Confident	79.2	Confident	26 Å²	26	62 Å²	62	14%	0.139	32%	0.322	C	S	.	.			trans	-66.8	138	173.9	-179.8	43.2	0	0	0	111.6	R105 A197 D199	R105-D201 VanDerWaalsContact CB-OD1 3.23Å; R105-D201 WeakPolarHBondContact CB-OD1 3.36Å; R105-D201 IonicContact CZ-OD1 3.16Å; R105-D201 VanDerWaalsContact CZ-OD1 3.32Å; R105-D201 IonicContact CZ-OD2 2.61Å; R105-D201 IonicContact NE-OD1 2.68Å; R105-D201 PolarHBondContact NE-OD1 3.04Å; R105-D201 IonicContact NE-OD2 3.38Å; R105-D201 VanDerWaalsContact NH2-CG 3.3Å; R105-D201 IonicContact NH2-OD1 2.8Å; R105-D201 PolarHBondContact NH2-OD1 2.75Å; R105-D201 IonicContact NH2-OD2 3.55Å; R105-D201 PolarHBondContact NH2-OD2 3.26Å; A197-D201 HydrophobicContact CB-CB 4Å; A197-D201 WeakPolarHBondContact CB-O 3.39Å; A197-D201 PolarHBondContact N-O 3.01Å; D199-D201 VanDerWaalsContact C-N 3.33Å; D199-D201 VanDerWaalsContact OD1-CB 3.25Å; D199-D201 WeakPolarHBondContact OD1-CB 3.05Å; D199-D201 PolarHBondContact OD1-N 3.2Å; D199-D201 VanDerWaalsContact OD1-N 3.15Å
202	V	81	Confident	79.8	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	165.3	175.2	-62.2	0	0	0	0	110.2	R105 V108 A193 G195 V196 L204	R105-V202 HydrophobicContact CB-CG2 4.32Å; R105-V202 WeakPolarHBondContact CB-O 3.05Å; R105-V202 WeakPolarHBondContact CG-O 3.34Å; R105-V202 PolarHBondContact NE-O 2.74Å; R105-V202 PolarHBondContact NH2-O 3.3Å; R105-V202 WeakPolarHBondContact O-CG2 3.3Å; V108-V202 HydrophobicContact CB-CG2 3.79Å; V108-V202 HydrophobicContact CG1-CG2 3.75Å; A193-V202 HydrophobicContact CB-CB 3.93Å; A193-V202 HydrophobicContact CB-CG1 3.98Å; A193-V202 HydrophobicContact CB-CG2 3.99Å; G195-V202 WeakPolarHBondContact O-CA 3.42Å; V196-V202 HydrophobicContact CG2-CG1 4.16Å; V202-L204 HydrophobicContact CG2-CG 4.49Å
203	F	80.9	Confident	80.8	Confident	89 Å²	89	58 Å²	58	39%	0.39	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.2	174.5	-178.4	-101.3	0	0	0	111.7	Q194 T205	Q194-F203 WeakPolarHBondContact O-CB 3.37Å; Q194-F203 PolarHBondContact O-N 3.48Å; F203-T205 HydrophobicContact CE1-CG2 4.13Å; F203-T205 HydrophobicContact CZ-CG2 4.48Å
204	L	80.6	Confident	82.1	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	29%	0.292	C	S	.	.			trans	-142	145.1	170.9	-63.4	177.3	0	0	0	108.4	A104 R105 V108 W189 A191 V202 Q208 V209	A104-L204 HydrophobicContact CB-CD1 4.19Å; R105-L204 HydrophobicContact CB-CD1 4.42Å; R105-L204 HydrophobicContact CG-CB 3.96Å; R105-L204 HydrophobicContact CG-CD1 3.9Å; R105-L204 HydrophobicContact CG-CG 3.97Å; V108-L204 HydrophobicContact CG2-CD1 4.04Å; W189-L204 HydrophobicContact CH2-CD1 3.7Å; W189-L204 HydrophobicContact CZ2-CD1 4.17Å; A191-L204 HydrophobicContact CB-CD1 4.48Å; A191-L204 HydrophobicContact CB-CD2 3.5Å; V202-L204 HydrophobicContact CG2-CG 4.49Å; L204-Q208 HydrophobicContact CB-CB 4.48Å; L204-V209 HydrophobicContact CB-CG2 3.89Å; L204-V209 HydrophobicContact CD1-CG2 4.38Å
205	T	83.1	Confident	83.4	Confident	59 Å²	59	51.6 Å²	51.6	36%	0.362	26%	0.264	S	S	.	.			trans	-76.8	160.4	175.3	71	0	0	0	0	111.5	F203 E207 Q208 V209	F203-T205 HydrophobicContact CE1-CG2 4.13Å; F203-T205 HydrophobicContact CZ-CG2 4.48Å; T205-E207 PolarHBondContact O-N 3.13Å; T205-Q208 PolarHBondContact O-N 2.72Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.48Å; T205-Q208 PolarHBondContact OG1-N 3Å; T205-Q208 PolarHBondContact OG1-OE1 3.5Å; T205-V209 WeakPolarHBondContact O-CG2 3.48Å; T205-V209 PolarHBondContact O-N 3.28Å
206	E	80.9	Confident	84.9	Confident	104 Å²	104	52.4 Å²	52.4	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-56.3	-37.4	176	-63.3	-52.4	132.3	0	0	112.9	R101 V209 R210	R101-E206 WeakPolarHBondContact CD-OE1 3.41Å; R101-E206 IonicContact CZ-OE1 3.41Å; R101-E206 IonicContact CZ-OE2 2.83Å; R101-E206 VanDerWaalsContact NE-CD 3.26Å; R101-E206 IonicContact NE-OE1 2.73Å; R101-E206 PolarHBondContact NE-OE1 2.91Å; R101-E206 IonicContact NE-OE2 3.01Å; R101-E206 PolarHBondContact NE-OE2 3.49Å; R101-E206 IonicContact NH1-OE1 3.16Å; R101-E206 PolarHBondContact NH1-OE1 3.18Å; R101-E206 IonicContact NH2-OE1 2.86Å; R101-E206 PolarHBondContact NH2-OE1 3.18Å; R101-E206 IonicContact NH2-OE2 3.1Å; R101-E206 PolarHBondContact NH2-OE2 3.1Å; E206-V209 PolarHBondContact O-N 3.16Å; E206-R210 PolarHBondContact O-N 3.12Å
207	E	83	Confident	86	Confident	169 Å²	169	51.9 Å²	51.9	79%	0.79	26%	0.26	S	S	*	.	H	α-helix	trans	-64.7	-43.4	179.8	-172.8	174.6	-171	0	0	111.7	T205 V209 R210	T205-E207 PolarHBondContact O-N 3.13Å; E207-V209 PolarHBondContact O-N 2.88Å; E207-R210 PolarHBondContact O-N 2.53Å
208	Q	83.8	Confident	86.8	Confident	68 Å²	68	57.9 Å²	57.9	32%	0.318	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-33	176.6	-70	174.3	-53	0	0	112.1	W189 L204 T205	W189-Q208 WeakPolarHBondContact CZ2-O 3.34Å; W189-Q208 PolarHBondContact NE1-O 3.08Å; L204-Q208 HydrophobicContact CB-CB 4.48Å; T205-Q208 PolarHBondContact O-N 2.72Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.48Å; T205-Q208 PolarHBondContact OG1-N 3Å; T205-Q208 PolarHBondContact OG1-OE1 3.5Å
209	V	88.9	Confident	88	Confident	2 Å²	2	66 Å²	66	1%	0.012	32%	0.322	C	S	.	.	H	α-helix	trans	-83.4	-26.7	-174.8	177	0	0	0	0	112.2	Q100 R101 A104 L204 T205 E206 E207 S211 F212	Q100-V209 HydrophobicContact CG-CG1 4.22Å; R101-V209 VanDerWaalsContact CA-CG1 3.4Å; R101-V209 HydrophobicContact CB-CG1 3.94Å; R101-V209 HydrophobicContact CG-CG1 4.25Å; R101-V209 HydrophobicContact CG-CG2 4.2Å; A104-V209 HydrophobicContact CB-CB 4.47Å; A104-V209 HydrophobicContact CB-CG1 3.97Å; A104-V209 HydrophobicContact CB-CG2 4.18Å; L204-V209 HydrophobicContact CB-CG2 3.89Å; L204-V209 HydrophobicContact CD1-CG2 4.38Å; T205-V209 WeakPolarHBondContact O-CG2 3.48Å; T205-V209 PolarHBondContact O-N 3.28Å; E206-V209 PolarHBondContact O-N 3.16Å; E207-V209 PolarHBondContact O-N 2.88Å; V209-S211 PolarHBondContact O-N 3.47Å; V209-F212 VanDerWaalsContact O-CB 3.25Å; V209-F212 WeakPolarHBondContact O-CB 3.43Å; V209-F212 PolarHBondContact O-N 3.42Å
210	R	88.8	Confident	89.1	Confident	209 Å²	209	67.6 Å²	67.6	79%	0.789	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-37	-166.1	-172.1	177.2	179	179.6	0.1	114.5	Q100 E206 E207	Q100-R210 PolarHBondContact NE2-O 2.82Å; E206-R210 PolarHBondContact O-N 3.12Å; E207-R210 PolarHBondContact O-N 2.53Å
211	S	91.4	Very high	90.2	Very high	84 Å²	84	69.9 Å²	69.9	59%	0.587	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.1	-178.9	59	0	0	0	0	114.5	V209 Q213	V209-S211 PolarHBondContact O-N 3.47Å; S211-Q213 PolarHBondContact O-N 3.42Å
212	F	96.2	Very high	91.1	Very high	1 Å²	1	68.7 Å²	68.7	0%	0.004	35%	0.352	C	S	.	.			trans	-72	127.7	-176.9	-173.2	-98	0	0	0	111.4	Q100 W103 A104 F107 F182 N186 W189 V209 V214	Q100-F212 HydrophobicContact CG-CB 4.47Å; Q100-F212 WeakPolarHBondContact CG-O 3.34Å; Q100-F212 PolarHBondContact NE2-O 3.49Å; W103-F212 HydrophobicContact CB-CE1 3.99Å; A104-F212 HydrophobicContact CB-CB 3.92Å; A104-F212 HydrophobicContact CB-CD1 3.65Å; A104-F212 HydrophobicContact CB-CD2 4.07Å; A104-F212 HydrophobicContact CB-CE1 4.12Å; A104-F212 HydrophobicContact CB-CE2 4.5Å; A104-F212 HydrophobicContact CB-CG 3.6Å; F107-F212 HydrophobicContact CB-CE2 4.03Å; F107-F212 HydrophobicContact CB-CZ 3.74Å; F107-F212 AromaticContact CD1-CE2 3.73Å; F107-F212 HydrophobicContact CD1-CE2 3.73Å; F107-F212 HydrophobicContact CD1-CZ 4.31Å; F107-F212 HydrophobicContact CE1-CE2 4.38Å; F107-F212 AromaticContact CG-CE2 3.88Å; F107-F212 HydrophobicContact CG-CE2 3.88Å; F107-F212 AromaticContact CG-CZ 3.98Å; F107-F212 HydrophobicContact CG-CZ 3.98Å; F182-F212 HydrophobicContact CB-CZ 4.45Å; F182-F212 AromaticContact CD1-CE1 3.73Å; F182-F212 HydrophobicContact CD1-CE1 3.73Å; F182-F212 HydrophobicContact CD1-CE2 4.29Å; F182-F212 AromaticContact CD1-CZ 3.3Å; F182-F212 HydrophobicContact CD1-CZ 3.3Å; F182-F212 AromaticContact CE1-CE1 3.49Å; F182-F212 HydrophobicContact CE1-CE1 3.49Å; F182-F212 VanDerWaalsContact CE1-CE1 3.49Å; F182-F212 AromaticContact CE1-CZ 3.53Å; F182-F212 HydrophobicContact CE1-CZ 3.53Å; F182-F212 AromaticContact CG-CZ 3.92Å; F182-F212 HydrophobicContact CG-CZ 3.92Å; F182-F212 HydrophobicContact CZ-CE1 4.31Å; F182-F212 HydrophobicContact CZ-CZ 4.31Å; N186-F212 HydrophobicContact CB-CE2 4.48Å; W189-F212 AromaticContact CD2-CD2 3.71Å; W189-F212 HydrophobicContact CD2-CD2 3.71Å; W189-F212 HydrophobicContact CD2-CE2 4.41Å; W189-F212 AromaticContact CE2-CD2 3.75Å; W189-F212 HydrophobicContact CE3-CD2 4.09Å; W189-F212 HydrophobicContact CE3-CE2 4.37Å; W189-F212 HydrophobicContact CG-CD2 4.04Å; W189-F212 HydrophobicContact CH2-CD2 4.5Å; W189-F212 HydrophobicContact CZ2-CB 4.47Å; W189-F212 HydrophobicContact CZ2-CD2 4.17Å; W189-F212 HydrophobicContact CZ3-CD2 4.47Å; V209-F212 VanDerWaalsContact O-CB 3.25Å; V209-F212 WeakPolarHBondContact O-CB 3.43Å; V209-F212 PolarHBondContact O-N 3.42Å; F212-V214 HydrophobicContact CD1-CG2 4.13Å; F212-V214 HydrophobicContact CE1-CG2 4.1Å
213	Q	96.7	Very high	91.9	Very high	114 Å²	114	70.5 Å²	70.5	53%	0.533	36%	0.364	S	S	.	.			trans	-101.8	138.1	178.4	-63.3	-153.9	19.2	0	0	111.9	L185 N186 S211	L185-Q213 HydrophobicContact CD2-CB 3.63Å; L185-Q213 HydrophobicContact CG-CB 3.72Å; N186-Q213 PolarHBondContact ND2-O 2.68Å; N186-Q213 PolarHBondContact OD1-N 3.47Å; S211-Q213 PolarHBondContact O-N 3.42Å
214	V	97.2	Very high	92.8	Very high	44 Å²	44	66.7 Å²	66.7	27%	0.267	35%	0.347	S	S	.	.			trans	-104.6	119.8	-179.6	-176.4	0	0	0	0	110.2	Q100 W103 F182 F212	Q100-V214 HydrophobicContact CB-CG2 4.34Å; Q100-V214 HydrophobicContact CG-CG2 4.43Å; W103-V214 HydrophobicContact CB-CG1 4.42Å; W103-V214 HydrophobicContact CB-CG2 3.93Å; W103-V214 VanDerWaalsContact CD1-CG1 3.5Å; W103-V214 HydrophobicContact CG-CG1 4.07Å; W103-V214 HydrophobicContact CG-CG2 4.37Å; F182-V214 HydrophobicContact CE1-CG1 4.27Å; F212-V214 HydrophobicContact CD1-CG2 4.13Å; F212-V214 HydrophobicContact CE1-CG2 4.1Å
215	P	97.1	Very high	93.6	Very high	10 Å²	10	67 Å²	67	7%	0.065	35%	0.348	C	S	.	.			trans	-60.8	143.6	173.3	-20.2	31.2	0	0	0	111.6	L178 R181 F182 L185 L224	L178-P215 HydrophobicContact CD1-CB 4.08Å; L178-P215 HydrophobicContact CD1-CG 4Å; R181-P215 HydrophobicContact CB-CB 4.33Å; R181-P215 HydrophobicContact CB-CG 3.96Å; F182-P215 HydrophobicContact CD1-CG 3.95Å; F182-P215 HydrophobicContact CE1-CG 4.18Å; L185-P215 HydrophobicContact CD2-CB 4.33Å; L185-P215 HydrophobicContact CD2-CG 3.79Å; P215-L224 WeakPolarHBondContact O-CD1 3.34Å
216	S	97.7	Very high	94.3	Very high	61 Å²	61	64.1 Å²	64.1	43%	0.427	33%	0.331	S	S	.	.			trans	-87.4	174.2	173.7	-65.5	0	0	0	0	111.5	R181 D218 G221	R181-S216 PolarHBondContact NH1-O 3.45Å; R181-S216 VanDerWaalsContact NH1-O 3.09Å; R181-S216 PolarHBondContact NH2-O 3.24Å; S216-D218 PolarHBondContact O-N 2.69Å; S216-G221 WeakPolarHBondContact CB-O 3.46Å
217	C	98.3	Very high	95	Very high	10 Å²	10	60.5 Å²	60.5	7%	0.068	32%	0.315	C	S	.	.			trans	-64.6	129.6	171.5	179.2	0	0	0	0	111.1	C166 R219 G221 G222 L224	C166-C217 HydrophobicContact CB-CB 3.89Å; C166-C217 WeakPolarHBondContact SG-CB 3.38Å; C217-R219 PolarHBondContact O-N 3.15Å; C217-R219 PolarHBondContact SG-N 3.47Å; C217-R219 VanDerWaalsContact SG-N 3.43Å; C217-G221 VanDerWaalsContact O-CA 3.29Å; C217-G221 WeakPolarHBondContact O-CA 3.28Å; C217-G221 PolarHBondContact O-N 3.36Å; C217-G222 VanDerWaalsContact CB-O 3.32Å; C217-G222 WeakPolarHBondContact CB-O 3.34Å; C217-G222 PolarHBondContact N-O 3.31Å; C217-L224 HydrophobicContact CB-CD2 3.86Å
218	D	96.9	Very high	95.7	Very high	126 Å²	126	52.9 Å²	52.9	67%	0.674	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.9	179	-62.1	-48.7	0	0	0	113	R181 S216	R181-D218 VanDerWaalsContact CZ-CG 3.46Å; R181-D218 IonicContact CZ-OD1 3.24Å; R181-D218 IonicContact CZ-OD2 2.77Å; R181-D218 IonicContact NE-OD1 3.31Å; R181-D218 IonicContact NE-OD2 3.49Å; R181-D218 PolarHBondContact NE-OD2 3.38Å; R181-D218 IonicContact NH1-OD1 3.32Å; R181-D218 IonicContact NH1-OD2 3.37Å; R181-D218 PolarHBondContact NH1-OD2 3.23Å; R181-D218 IonicContact NH2-OD1 3.31Å; R181-D218 PolarHBondContact NH2-OD1 3.09Å; R181-D218 IonicContact NH2-OD2 2.84Å; R181-D218 PolarHBondContact NH2-OD2 3.07Å; S216-D218 PolarHBondContact O-N 2.69Å
219	R	97.4	Very high	96.2	Very high	178 Å²	178	51.5 Å²	51.5	67%	0.672	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-38.5	-178.8	-173.1	175.8	176.1	-174.5	-1.6	113.9	E171 C217	E171-R219 WeakPolarHBondContact OE2-CD 3.4Å; E171-R219 IonicContact OE2-CZ 3.88Å; E171-R219 IonicContact OE2-NH1 3.72Å; E171-R219 PolarHBondContact OE2-NH1 2.89Å; C217-R219 PolarHBondContact O-N 3.15Å; C217-R219 PolarHBondContact SG-N 3.47Å; C217-R219 VanDerWaalsContact SG-N 3.43Å
220	C	98.1	Very high	96.3	Very high	60 Å²	60	52 Å²	52	41%	0.405	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	1.4	-171.1	71.6	0	0	0	0	115.1	C166 C169 G222	C166-C220 PolarHBondContact SG-SG 2.86Å; C169-C220 HydrophobicContact CB-CB 4.21Å; C169-C220 PolarHBondContact SG-SG 3.5Å; C220-G222 PolarHBondContact O-N 2.79Å; C220-G222 VanDerWaalsContact O-N 3.15Å; C220-G222 PolarHBondContact SG-N 2.89Å; C220-G222 VanDerWaalsContact SG-N 3.41Å
221	G	98	Very high	96.3	Very high	49 Å²	49	45.8 Å²	45.8	51%	0.505	26%	0.257	S	S	.	.			trans	69.9	2.9	-175.2	0	0	0	0	0	115	S216 C217	S216-G221 WeakPolarHBondContact CB-O 3.46Å; C217-G221 VanDerWaalsContact O-CA 3.29Å; C217-G221 WeakPolarHBondContact O-CA 3.28Å; C217-G221 PolarHBondContact O-N 3.36Å
222	G	97.9	Very high	96.2	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-72.1	162	-178.6	0	0	0	0	0	114.5	N168 C217 C220	N168-G222 WeakPolarHBondContact ND2-CA 3.41Å; C217-G222 VanDerWaalsContact CB-O 3.32Å; C217-G222 WeakPolarHBondContact CB-O 3.34Å; C217-G222 PolarHBondContact N-O 3.31Å; C220-G222 PolarHBondContact O-N 2.79Å; C220-G222 VanDerWaalsContact O-N 3.15Å; C220-G222 PolarHBondContact SG-N 2.89Å; C220-G222 VanDerWaalsContact SG-N 3.41Å
223	P	98	Very high	96	Very high	39 Å²	39	47.4 Å²	47.4	25%	0.253	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-68.6	144.4	-179.7	25.2	-28.8	0	0	0	111.9	L167	L167-P223 HydrophobicContact CB-CG 4.15Å; L167-P223 HydrophobicContact CD1-CB 4.22Å; L167-P223 HydrophobicContact CD1-CG 4.01Å; L167-P223 PolarHBondContact N-O 3.15Å
224	L	98.4	Very high	95.8	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.1	179.2	-61.8	179	0	0	0	111.1	F92 W103 V164 C166 L178 P215 C217	F92-L224 WeakPolarHBondContact CZ-O 3.43Å; W103-L224 HydrophobicContact CZ2-CB 4.28Å; W103-L224 PolarHBondContact NE1-O 2.89Å; V164-L224 HydrophobicContact CG1-CB 3.87Å; V164-L224 HydrophobicContact CG1-CD1 4.33Å; V164-L224 HydrophobicContact CG1-CD2 4.21Å; V164-L224 HydrophobicContact CG1-CG 4.37Å; C166-L224 HydrophobicContact CB-CD2 4.06Å; L178-L224 HydrophobicContact CD1-CD1 3.67Å; L178-L224 HydrophobicContact CD2-CD1 4.38Å; P215-L224 WeakPolarHBondContact O-CD1 3.34Å; C217-L224 HydrophobicContact CB-CD2 3.86Å
225	K	97.8	Very high	95.8	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.039	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.8	172.3	-166.4	178.6	75.6	61.1	0	109.2	F92 I93 V164 L165 L167 V228 F230	F92-K225 HydrophobicContact CD1-CB 4.38Å; F92-K225 HydrophobicContact CD1-CD 3.94Å; F92-K225 HydrophobicContact CD1-CG 3.84Å; F92-K225 HydrophobicContact CE1-CB 3.59Å; F92-K225 HydrophobicContact CE1-CD 4.02Å; F92-K225 HydrophobicContact CE1-CG 3.42Å; F92-K225 VanDerWaalsContact CE1-CG 3.42Å; F92-K225 HydrophobicContact CZ-CB 4.11Å; F92-K225 HydrophobicContact CZ-CG 3.91Å; I93-K225 HydrophobicContact CD1-CD 4.49Å; V164-K225 CarbonylContact C-O 3.59Å; V164-K225 WeakPolarHBondContact CA-O 3.48Å; V164-K225 WeakPolarHBondContact CG1-O 3.38Å; L165-K225 HydrophobicContact CD1-CB 4.16Å; L165-K225 HydrophobicContact CG-CB 4.34Å; L165-K225 PolarHBondContact N-O 2.78Å; L165-K225 PolarHBondContact O-N 3.4Å; L167-K225 HydrophobicContact CD1-CB 4.32Å; L167-K225 HydrophobicContact CD2-CB 3.84Å; L167-K225 HydrophobicContact CD2-CD 4.04Å; L167-K225 HydrophobicContact CG-CB 4.05Å; K225-V228 PolarHBondContact NZ-O 3.32Å; K225-F230 HydrophobicContact CD-CD2 4.08Å; K225-F230 HydrophobicContact CD-CE2 3.79Å; K225-F230 HydrophobicContact CG-CE2 3.83Å; K225-F230 HydrophobicContact CG-CZ 4.32Å
226	P	97.3	Very high	95.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	146.7	163.3	29.4	-40.6	0	0	0	110.3	Y102 W103 M161 V228 F230	Y102-P226 HydrophobicContact CE1-CG 3.66Å; Y102-P226 WeakPolarHBondContact OH-CG 3.17Å; W103-P226 HydrophobicContact CH2-CB 4.19Å; W103-P226 HydrophobicContact CH2-CG 4.43Å; W103-P226 VanDerWaalsContact CZ2-CD 3.43Å; M161-P226 HydrophobicContact CE-CB 4.35Å; M161-P226 HydrophobicContact SD-CB 4.2Å; P226-V228 HydrophobicContact CB-CG2 3.95Å; P226-V228 HydrophobicContact CG-CG2 3.76Å; P226-V228 PolarHBondContact O-N 2.96Å; P226-F230 HydrophobicContact CG-CE1 3.96Å; P226-F230 HydrophobicContact CG-CE2 4.42Å; P226-F230 HydrophobicContact CG-CZ 3.5Å; P226-F230 VanDerWaalsContact CG-CZ 3.5Å
227	D	97.1	Very high	95.6	Very high	27 Å²	27	53.5 Å²	53.5	14%	0.144	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	61.2	175.1	179.7	36.5	0	0	0	110.9	G159 C160 R163 L165 Q172	G159-D227 CarbonylContact C-O 3.52Å; G159-D227 WeakPolarHBondContact CA-O 3.14Å; C160-D227 PolarHBondContact N-O 2.88Å; R163-D227 HydrophobicContact CB-CB 3.74Å; R163-D227 IonicContact CZ-OD2 3.52Å; R163-D227 IonicContact NE-OD2 3.45Å; R163-D227 PolarHBondContact NE-OD2 3.15Å; R163-D227 IonicContact NH2-OD2 3.08Å; R163-D227 PolarHBondContact NH2-OD2 3.37Å; R163-D227 VanDerWaalsContact NH2-OD2 3.1Å; R163-D227 PolarHBondContact O-N 3.33Å; L165-D227 HydrophobicContact CD2-CB 3.94Å; Q172-D227 PolarHBondContact NE2-OD2 2.86Å
228	V	95.9	Very high	95.6	Very high	10 Å²	10	59.3 Å²	59.3	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.6	175.5	-60.4	0	0	0	0	111.8	V142 H158 M161 K225 P226 F230	V142-V228 HydrophobicContact CB-CG1 3.81Å; V142-V228 HydrophobicContact CG1-CB 4.19Å; V142-V228 HydrophobicContact CG1-CG1 3.67Å; V142-V228 HydrophobicContact CG2-CG1 4.42Å; H158-V228 CarbonylContact O-C 3.53Å; H158-V228 WeakPolarHBondContact O-CA 3.33Å; M161-V228 HydrophobicContact CG-CG1 4.08Å; M161-V228 HydrophobicContact SD-CB 4.4Å; M161-V228 HydrophobicContact SD-CG1 3.52Å; M161-V228 VanDerWaalsContact SD-CG1 3.52Å; M161-V228 HydrophobicContact SD-CG2 4.04Å; K225-V228 PolarHBondContact NZ-O 3.32Å; P226-V228 HydrophobicContact CB-CG2 3.95Å; P226-V228 HydrophobicContact CG-CG2 3.76Å; P226-V228 PolarHBondContact O-N 2.96Å; V228-F230 HydrophobicContact CG2-CD1 3.76Å; V228-F230 HydrophobicContact CG2-CE1 3.43Å; V228-F230 VanDerWaalsContact CG2-CE1 3.43Å; V228-F230 HydrophobicContact CG2-CZ 4.22Å; V228-F230 PolarHBondContact O-N 2.99Å
229	V	95	Very high	95.7	Very high	38 Å²	38	56.1 Å²	56.1	23%	0.23	32%	0.318	C	S	.	.			trans	-80.8	109.7	174.2	-179.2	0	0	0	0	107.7	H158 D233 V235	H158-V229 HydrophobicContact CB-CB 4.26Å; H158-V229 PolarHBondContact O-N 3.48Å; V229-D233 HydrophobicContact CG1-CB 3.83Å; V229-V235 HydrophobicContact CG1-CG2 4.3Å; V229-V235 HydrophobicContact CG2-CG2 4.28Å
230	F	92.3	Very high	95.7	Very high	14 Å²	14	48.1 Å²	48.1	6%	0.061	29%	0.289	C	S	.	.			trans	-75.9	168.3	176.7	-72.1	-31.7	0	0	0	111.8	I87 H89 F92 Y102 K225 P226 V228 G232 D233	I87-F230 HydrophobicContact CG2-CD1 3.76Å; I87-F230 HydrophobicContact CG2-CD2 4.21Å; I87-F230 HydrophobicContact CG2-CE1 3.77Å; I87-F230 HydrophobicContact CG2-CE2 4.21Å; I87-F230 HydrophobicContact CG2-CG 3.99Å; I87-F230 HydrophobicContact CG2-CZ 4Å; H89-F230 HydrophobicContact CB-CB 4.04Å; F92-F230 HydrophobicContact CB-CD2 4.22Å; F92-F230 HydrophobicContact CB-CE2 3.98Å; F92-F230 HydrophobicContact CD1-CE2 4.09Å; F92-F230 AromaticContact CD2-CE2 3.74Å; F92-F230 HydrophobicContact CD2-CE2 3.74Å; F92-F230 HydrophobicContact CD2-CZ 4.26Å; F92-F230 HydrophobicContact CE2-CE2 4.23Å; F92-F230 HydrophobicContact CE2-CZ 4.47Å; F92-F230 HydrophobicContact CG-CD2 4.34Å; F92-F230 AromaticContact CG-CE2 3.64Å; F92-F230 HydrophobicContact CG-CE2 3.64Å; Y102-F230 HydrophobicContact CD2-CZ 4.34Å; Y102-F230 HydrophobicContact CE1-CZ 4.18Å; Y102-F230 AromaticContact CE2-CE1 3.89Å; Y102-F230 HydrophobicContact CE2-CE1 3.89Å; Y102-F230 AromaticContact CE2-CZ 3.77Å; Y102-F230 HydrophobicContact CE2-CZ 3.77Å; Y102-F230 AromaticContact CZ-CE1 3.93Å; Y102-F230 AromaticContact CZ-CZ 3.7Å; K225-F230 HydrophobicContact CD-CD2 4.08Å; K225-F230 HydrophobicContact CD-CE2 3.79Å; K225-F230 HydrophobicContact CG-CE2 3.83Å; K225-F230 HydrophobicContact CG-CZ 4.32Å; P226-F230 HydrophobicContact CG-CE1 3.96Å; P226-F230 HydrophobicContact CG-CE2 4.42Å; P226-F230 HydrophobicContact CG-CZ 3.5Å; P226-F230 VanDerWaalsContact CG-CZ 3.5Å; V228-F230 HydrophobicContact CG2-CD1 3.76Å; V228-F230 HydrophobicContact CG2-CE1 3.43Å; V228-F230 VanDerWaalsContact CG2-CE1 3.43Å; V228-F230 HydrophobicContact CG2-CZ 4.22Å; V228-F230 PolarHBondContact O-N 2.99Å; F230-G232 PolarHBondContact O-N 3.33Å; F230-D233 HydrophobicContact CB-CB 4.5Å; F230-D233 WeakPolarHBondContact O-CB 3.36Å; F230-D233 PolarHBondContact O-N 2.92Å
231	F	87.3	Confident	95.7	Very high	77 Å²	77	49.5 Å²	49.5	34%	0.338	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-63.5	137.4	169.9	-77.3	-104.4	0	0	0	109.7	P86 Q88 H89 D233	P86-F231 HydrophobicContact CB-CB 4.49Å; P86-F231 HydrophobicContact CB-CD2 3.27Å; P86-F231 HydrophobicContact CB-CE2 3.49Å; P86-F231 VanDerWaalsContact CB-CE2 3.49Å; P86-F231 HydrophobicContact CB-CG 3.91Å; P86-F231 HydrophobicContact CB-CZ 4.29Å; P86-F231 HydrophobicContact CG-CB 4.23Å; P86-F231 HydrophobicContact CG-CD1 3.88Å; P86-F231 HydrophobicContact CG-CD2 3.38Å; P86-F231 HydrophobicContact CG-CE1 4.02Å; P86-F231 HydrophobicContact CG-CE2 3.53Å; P86-F231 HydrophobicContact CG-CG 3.55Å; P86-F231 HydrophobicContact CG-CZ 3.86Å; Q88-F231 WeakPolarHBondContact CA-O 3.49Å; Q88-F231 PolarHBondContact OE1-O 3.39Å; H89-F231 PolarHBondContact N-O 2.86Å; F231-D233 PolarHBondContact O-N 3.31Å
232	G	89.1	Confident	95.7	Very high	71 Å²	71	50 Å²	50	73%	0.732	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-6.4	-171.5	0	0	0	0	0	114.7	F230	F230-G232 PolarHBondContact O-N 3.33Å
233	D	92.7	Very high	95.8	Very high	48 Å²	48	49.9 Å²	49.9	26%	0.257	28%	0.28	S	S	.	.			trans	-87.7	168	170.1	-155.8	-8.6	0	0	0	111.1	H89 V229 F230 F231	H89-D233 HydrophobicContact CB-CB 3.81Å; H89-D233 VanDerWaalsContact CE1-CG 3.5Å; H89-D233 IonicContact CE1-OD1 3.38Å; H89-D233 IonicContact CE1-OD2 3.06Å; H89-D233 PolarHBondContact CE1-OD2 3.33Å; H89-D233 VanDerWaalsContact CE1-OD2 3.25Å; H89-D233 IonicContact CG-OD2 3.16Å; H89-D233 IonicContact ND1-OD1 2.68Å; H89-D233 IonicContact ND1-OD2 3.88Å; H89-D233 PolarHBondContact ND1-OD2 2.77Å; V229-D233 HydrophobicContact CG1-CB 3.83Å; F230-D233 HydrophobicContact CB-CB 4.5Å; F230-D233 WeakPolarHBondContact O-CB 3.36Å; F230-D233 PolarHBondContact O-N 2.92Å; F231-D233 PolarHBondContact O-N 3.31Å
234	T	93.3	Very high	95.8	Very high	109 Å²	109	49.9 Å²	49.9	67%	0.669	28%	0.277	S	S	*	.			trans	-118.2	141.8	176.9	58.8	0	0	0	0	111.5	K236	T234-K236 PolarHBondContact O-N 2.88Å
235	V	96.3	Very high	95.8	Very high	12 Å²	12	56.5 Å²	56.5	7%	0.073	30%	0.301	C	S	.	.			trans	-66.8	134.3	170.2	-175.9	0	0	0	0	108.1	L157 V229 K239 V240	L157-V235 HydrophobicContact CD1-CG1 3.92Å; L157-V235 HydrophobicContact CD1-CG2 4.4Å; L157-V235 HydrophobicContact CG-CG1 4.49Å; L157-V235 HydrophobicContact CG-CG2 4.29Å; L157-V235 WeakPolarHBondContact O-CG1 3.46Å; V229-V235 HydrophobicContact CG1-CG2 4.3Å; V229-V235 HydrophobicContact CG2-CG2 4.28Å; V235-K239 HydrophobicContact CG1-CB 4.23Å; V235-K239 HydrophobicContact CG1-CD 3.92Å; V235-K239 HydrophobicContact CG1-CG 4.35Å; V235-V240 HydrophobicContact CB-CG2 3.75Å; V235-V240 HydrophobicContact CG1-CG2 3.68Å
236	K	95	Very high	95.9	Very high	147 Å²	147	59 Å²	59	64%	0.639	31%	0.31	S	S	*	.			trans	-47.9	128.9	177.5	-67.2	-175.6	177.9	-178.7	0	111.2	T234 D238 K239 V240	T234-K236 PolarHBondContact O-N 2.88Å; K236-D238 VanDerWaalsContact C-N 3.33Å; K236-D238 PolarHBondContact O-N 2.97Å; K236-K239 HydrophobicContact CB-CB 4.38Å; K236-K239 WeakPolarHBondContact O-CB 3.25Å; K236-K239 PolarHBondContact O-N 3.26Å; K236-V240 PolarHBondContact O-N 3.31Å; K236-V240 VanDerWaalsContact O-N 3.15Å
237	P	96.8	Very high	95.9	Very high	89 Å²	89	59 Å²	59	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-52	-47.1	-177.6	-30	36.1	0	0	0	113.4	K239 V240 D241	P237-K239 PolarHBondContact O-N 3.45Å; P237-K239 VanDerWaalsContact O-N 3.15Å; P237-V240 CarbonylContact O-C 3.41Å; P237-V240 WeakPolarHBondContact O-CA 3.21Å; P237-V240 WeakPolarHBondContact O-CB 3.18Å; P237-V240 PolarHBondContact O-N 3.42Å; P237-D241 PolarHBondContact O-N 3.15Å
238	D	97.4	Very high	96	Very high	133 Å²	133	63.5 Å²	63.5	71%	0.711	33%	0.328	S	S	*	.	H	α-helix	trans	-58.1	-35.4	179.8	-55.9	-24	0	0	0	113	K236 F242	K236-D238 VanDerWaalsContact C-N 3.33Å; K236-D238 PolarHBondContact O-N 2.97Å; D238-F242 WeakPolarHBondContact O-CB 3.11Å; D238-F242 PolarHBondContact O-N 3.14Å
239	K	98	Very high	96.1	Very high	58 Å²	58	66.4 Å²	66.4	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-69.4	-42	175.8	-172.4	-174.7	-64	-176.2	0	110.6	T155 E156 V235 K236 P237 V243	T155-K239 HydrophobicContact CG2-CD 3.89Å; T155-K239 HydrophobicContact CG2-CG 3.72Å; E156-K239 PolarHBondContact O-NZ 3.03Å; V235-K239 HydrophobicContact CG1-CB 4.23Å; V235-K239 HydrophobicContact CG1-CD 3.92Å; V235-K239 HydrophobicContact CG1-CG 4.35Å; K236-K239 HydrophobicContact CB-CB 4.38Å; K236-K239 WeakPolarHBondContact O-CB 3.25Å; K236-K239 PolarHBondContact O-N 3.26Å; P237-K239 PolarHBondContact O-N 3.45Å; P237-K239 VanDerWaalsContact O-N 3.15Å; K239-V243 WeakPolarHBondContact O-CG2 3.46Å; K239-V243 PolarHBondContact O-N 3.02Å
240	V	98.3	Very high	96.3	Very high	11 Å²	11	65.1 Å²	65.1	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-47.8	176.6	173.8	0	0	0	0	110.3	V235 K236 P237 F242 V243 H244 F268	V235-V240 HydrophobicContact CB-CG2 3.75Å; V235-V240 HydrophobicContact CG1-CG2 3.68Å; K236-V240 PolarHBondContact O-N 3.31Å; K236-V240 VanDerWaalsContact O-N 3.15Å; P237-V240 CarbonylContact O-C 3.41Å; P237-V240 WeakPolarHBondContact O-CA 3.21Å; P237-V240 WeakPolarHBondContact O-CB 3.18Å; P237-V240 PolarHBondContact O-N 3.42Å; V240-F242 VanDerWaalsContact C-N 3.34Å; V240-F242 PolarHBondContact O-N 3.37Å; V240-V243 PolarHBondContact O-N 3.46Å; V240-H244 PolarHBondContact O-CD2 3.35Å; V240-H244 PolarHBondContact O-N 2.99Å; V240-F268 HydrophobicContact CG1-CE1 4.4Å; V240-F268 HydrophobicContact CG1-CZ 4.37Å
241	D	98.4	Very high	96.5	Very high	89 Å²	89	66.9 Å²	66.9	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-63.2	-40.9	179.4	-69.8	-19.2	0	0	0	112	P237 H244 R245	P237-D241 PolarHBondContact O-N 3.15Å; D241-H244 PolarHBondContact O-N 3.27Å; D241-R245 WeakPolarHBondContact O-CB 3.49Å; D241-R245 PolarHBondContact O-N 2.84Å
242	F	98.6	Very high	97.1	Very high	59 Å²	59	63.4 Å²	63.4	26%	0.259	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-47.5	173.2	177.2	-94	0	0	0	111.5	W136 D238 V240 R245 R246	W136-F242 HydrophobicContact CD2-CE1 4.31Å; W136-F242 HydrophobicContact CD2-CZ 4.43Å; W136-F242 AromaticContact CE2-CE1 3.51Å; W136-F242 AromaticContact CE2-CZ 3.86Å; W136-F242 HydrophobicContact CH2-CE1 4.17Å; W136-F242 AromaticContact CH2-CZ 3.74Å; W136-F242 HydrophobicContact CH2-CZ 3.74Å; W136-F242 AromaticContact CZ2-CE1 3.43Å; W136-F242 HydrophobicContact CZ2-CE1 3.43Å; W136-F242 VanDerWaalsContact CZ2-CE1 3.43Å; W136-F242 AromaticContact CZ2-CZ 3.5Å; W136-F242 HydrophobicContact CZ2-CZ 3.5Å; W136-F242 VanDerWaalsContact CZ2-CZ 3.5Å; W136-F242 HydrophobicContact CZ3-CZ 4.28Å; W136-F242 AromaticContact NE1-CE1 3.66Å; D238-F242 WeakPolarHBondContact O-CB 3.11Å; D238-F242 PolarHBondContact O-N 3.14Å; V240-F242 VanDerWaalsContact C-N 3.34Å; V240-F242 PolarHBondContact O-N 3.37Å; F242-R245 WeakPolarHBondContact O-CB 3.32Å; F242-R245 PolarHBondContact O-N 2.68Å; F242-R246 HydrophobicContact CD1-CG 4.31Å; F242-R246 HydrophobicContact CE1-CG 3.88Å; F242-R246 HydrophobicContact CZ-CG 4.05Å; F242-R246 VanDerWaalsContact CZ-NE 3.32Å; F242-R246 WeakPolarHBondContact O-CG 3.25Å; F242-R246 PolarHBondContact O-N 3.27Å
243	V	98.7	Very high	97.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-42.2	178.4	177.4	0	0	0	0	111.3	V138 T155 K239 V240 R245 R246 V247 F268	V138-V243 HydrophobicContact CG1-CG1 4.28Å; V138-V243 HydrophobicContact CG1-CG2 4.23Å; V138-V243 HydrophobicContact CG2-CG1 3.7Å; V138-V243 HydrophobicContact CG2-CG2 4.14Å; T155-V243 HydrophobicContact CG2-CG2 3.68Å; K239-V243 WeakPolarHBondContact O-CG2 3.46Å; K239-V243 PolarHBondContact O-N 3.02Å; V240-V243 PolarHBondContact O-N 3.46Å; V243-R245 PolarHBondContact O-N 2.89Å; V243-R246 PolarHBondContact O-N 3.31Å; V243-R246 VanDerWaalsContact O-N 3.13Å; V243-V247 HydrophobicContact CG1-CG2 4.32Å; V243-V247 WeakPolarHBondContact O-CG2 2.82Å; V243-V247 PolarHBondContact O-N 2.76Å; V243-F268 HydrophobicContact CB-CD1 4.12Å; V243-F268 HydrophobicContact CB-CE1 3.5Å; V243-F268 VanDerWaalsContact CB-CE1 3.5Å; V243-F268 HydrophobicContact CB-CE2 4.32Å; V243-F268 HydrophobicContact CB-CZ 3.61Å; V243-F268 HydrophobicContact CG1-CD1 3.44Å; V243-F268 VanDerWaalsContact CG1-CD1 3.44Å; V243-F268 HydrophobicContact CG1-CD2 3.95Å; V243-F268 HydrophobicContact CG1-CE1 3.33Å; V243-F268 HydrophobicContact CG1-CE2 3.83Å; V243-F268 HydrophobicContact CG1-CG 3.74Å; V243-F268 HydrophobicContact CG1-CZ 3.52Å; V243-F268 HydrophobicContact CG2-CZ 4.32Å
244	H	98.6	Very high	97.8	Very high	39 Å²	39	57.9 Å²	57.9	18%	0.181	28%	0.283	C	S	.	.	H	α-helix	trans	-57.2	-40.1	174.1	-79.2	-65.1	0	0	0	111.9	V240 D241 V247 K248 F268 T271	V240-H244 PolarHBondContact O-CD2 3.35Å; V240-H244 PolarHBondContact O-N 2.99Å; D241-H244 PolarHBondContact O-N 3.27Å; H244-V247 PolarHBondContact O-N 2.61Å; H244-K248 WeakPolarHBondContact O-CB 3.48Å; H244-K248 VanDerWaalsContact O-CG 3.23Å; H244-K248 WeakPolarHBondContact O-CG 3.38Å; H244-K248 PolarHBondContact O-N 2.85Å; H244-F268 AromaticContact CD2-CE1 3.79Å; H244-F268 AromaticContact CE1-CD1 3.76Å; H244-F268 AromaticContact CE1-CE1 3.82Å; H244-F268 AromaticContact CG-CE1 3.94Å; H244-F268 AromaticContact ND1-CD1 3.77Å; H244-F268 AromaticContact ND1-CE1 3.96Å; H244-F268 AromaticContact NE2-CE1 3.69Å; H244-T271 PolarHBondContact CE1-OG1 3.48Å; H244-T271 PolarHBondContact ND1-OG1 3.04Å
245	R	98.6	Very high	98.1	Very high	147 Å²	147	52.7 Å²	52.7	56%	0.555	25%	0.252	S	S	*	.	H	α-helix	trans	-62.8	-46.2	175.6	-165.7	-176.5	-53.2	164.8	6.4	111.6	D241 F242 V243 V247 K248 E249	D241-R245 WeakPolarHBondContact O-CB 3.49Å; D241-R245 PolarHBondContact O-N 2.84Å; F242-R245 WeakPolarHBondContact O-CB 3.32Å; F242-R245 PolarHBondContact O-N 2.68Å; V243-R245 PolarHBondContact O-N 2.89Å; R245-V247 VanDerWaalsContact C-N 3.34Å; R245-V247 PolarHBondContact O-N 3.04Å; R245-K248 PolarHBondContact O-N 3.38Å; R245-K248 VanDerWaalsContact O-N 3.12Å; R245-E249 WeakPolarHBondContact CG-OE1 3.45Å; R245-E249 WeakPolarHBondContact O-CG 3.39Å; R245-E249 PolarHBondContact O-N 2.78Å
246	R	98.6	Very high	98.2	Very high	60 Å²	60	52.1 Å²	52.1	23%	0.226	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-40.3	176.7	-65.8	-54.7	-174.4	-169.3	4.6	112.8	I55 W136 F242 V243 E249 A250	I55-R246 HydrophobicContact CD1-CB 3.88Å; W136-R246 HydrophobicContact CB-CB 4.21Å; W136-R246 HydrophobicContact CB-CG 4.27Å; W136-R246 HydrophobicContact CD2-CG 4.15Å; W136-R246 HydrophobicContact CG-CB 4.27Å; W136-R246 HydrophobicContact CG-CG 3.93Å; F242-R246 HydrophobicContact CD1-CG 4.31Å; F242-R246 HydrophobicContact CE1-CG 3.88Å; F242-R246 HydrophobicContact CZ-CG 4.05Å; F242-R246 VanDerWaalsContact CZ-NE 3.32Å; F242-R246 WeakPolarHBondContact O-CG 3.25Å; F242-R246 PolarHBondContact O-N 3.27Å; V243-R246 PolarHBondContact O-N 3.31Å; V243-R246 VanDerWaalsContact O-N 3.13Å; R246-E249 WeakPolarHBondContact CD-OE2 3.4Å; R246-E249 IonicContact CZ-OE2 3.84Å; R246-E249 IonicContact NH1-OE1 3.93Å; R246-E249 IonicContact NH1-OE2 2.85Å; R246-E249 PolarHBondContact NH1-OE2 3.23Å; R246-E249 PolarHBondContact O-N 3.25Å; R246-A250 PolarHBondContact O-N 3.05Å
247	V	98.6	Very high	98.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-45	173.2	176.9	0	0	0	0	110.5	I55 V243 H244 R245 E249 A250 F268 T271 A272 L277	I55-V247 HydrophobicContact CD1-CB 4.38Å; I55-V247 HydrophobicContact CD1-CG2 3.67Å; V243-V247 HydrophobicContact CG1-CG2 4.32Å; V243-V247 WeakPolarHBondContact O-CG2 2.82Å; V243-V247 PolarHBondContact O-N 2.76Å; H244-V247 PolarHBondContact O-N 2.61Å; R245-V247 VanDerWaalsContact C-N 3.34Å; R245-V247 PolarHBondContact O-N 3.04Å; V247-E249 PolarHBondContact O-N 2.96Å; V247-A250 WeakPolarHBondContact O-CB 3.49Å; V247-A250 PolarHBondContact O-N 3.17Å; V247-F268 HydrophobicContact CG2-CB 4.11Å; V247-F268 HydrophobicContact CG2-CD1 4.38Å; V247-T271 HydrophobicContact CB-CG2 4.31Å; V247-T271 HydrophobicContact CG1-CG2 3.9Å; V247-A272 HydrophobicContact CG1-CB 4.03Å; V247-L277 HydrophobicContact CG1-CD1 4.28Å; V247-L277 WeakPolarHBondContact O-CD1 3.08Å
248	K	98.3	Very high	98.4	Very high	121 Å²	121	41.4 Å²	41.4	53%	0.526	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-24	-180	-70.3	170.9	-176.7	178.8	0	113.8	H244 R245 T271 K275	H244-K248 WeakPolarHBondContact O-CB 3.48Å; H244-K248 VanDerWaalsContact O-CG 3.23Å; H244-K248 WeakPolarHBondContact O-CG 3.38Å; H244-K248 PolarHBondContact O-N 2.85Å; R245-K248 PolarHBondContact O-N 3.38Å; R245-K248 VanDerWaalsContact O-N 3.12Å; K248-T271 HydrophobicContact CG-CG2 4.06Å; K248-K275 HydrophobicContact CG-CG 4.3Å
249	E	98.3	Very high	98.3	Very high	72 Å²	72	36.4 Å²	36.4	34%	0.336	17%	0.17	S	C	.	.	H	α-helix	trans	-85.3	-16.6	176.2	-71.6	167.4	-175.1	0	0	113.6	K53 H135 R245 R246 V247	K53-E249 VanDerWaalsContact CD-O 3.26Å; K53-E249 WeakPolarHBondContact CD-O 3.02Å; H135-E249 IonicContact CE1-OE2 3.83Å; H135-E249 PolarHBondContact CE1-OE2 3.39Å; H135-E249 WeakPolarHBondContact NE2-CB 3.29Å; H135-E249 IonicContact NE2-OE2 2.67Å; H135-E249 PolarHBondContact NE2-OE2 3.01Å; R245-E249 WeakPolarHBondContact CG-OE1 3.45Å; R245-E249 WeakPolarHBondContact O-CG 3.39Å; R245-E249 PolarHBondContact O-N 2.78Å; R246-E249 WeakPolarHBondContact CD-OE2 3.4Å; R246-E249 IonicContact CZ-OE2 3.84Å; R246-E249 IonicContact NH1-OE1 3.93Å; R246-E249 IonicContact NH1-OE2 2.85Å; R246-E249 PolarHBondContact NH1-OE2 3.23Å; R246-E249 PolarHBondContact O-N 3.25Å; V247-E249 PolarHBondContact O-N 2.96Å
250	A	98.5	Very high	98.2	Very high	10 Å²	10	33.7 Å²	33.7	8%	0.083	16%	0.159	C	C	.	.			trans	-78.2	162.4	-177.1	0	0	0	0	0	112	K53 I55 R246 V247 L277	K53-A250 WeakPolarHBondContact O-CA 3.3Å; K53-A250 VanDerWaalsContact O-CB 3.26Å; K53-A250 WeakPolarHBondContact O-CB 3.44Å; I55-A250 HydrophobicContact CB-CB 4.02Å; I55-A250 HydrophobicContact CG2-CB 3.98Å; R246-A250 PolarHBondContact O-N 3.05Å; V247-A250 WeakPolarHBondContact O-CB 3.49Å; V247-A250 PolarHBondContact O-N 3.17Å; A250-L277 HydrophobicContact CB-CD1 4.23Å; A250-L277 WeakPolarHBondContact O-CD2 3.21Å
251	D	98.4	Very high	98	Very high	52 Å²	52	37.9 Å²	37.9	28%	0.278	18%	0.177	S	C	.	.	S	Bend	trans	-111.1	-10.8	173	64.7	14.4	0	0	0	113.6	S51 K52 K53 P278	S51-D251 WeakPolarHBondContact CB-OD1 3.3Å; S51-D251 PolarHBondContact OG-OD1 2.71Å; K52-D251 WeakPolarHBondContact CA-OD2 3.19Å; K52-D251 WeakPolarHBondContact CB-OD2 3.42Å; K52-D251 PolarHBondContact N-OD1 3.3Å; K52-D251 PolarHBondContact N-OD2 2.79Å; K53-D251 VanDerWaalsContact C-OD1 3.32Å; K53-D251 VanDerWaalsContact N-CG 3.28Å; K53-D251 PolarHBondContact N-OD1 2.74Å; K53-D251 PolarHBondContact N-OD2 2.99Å; K53-D251 PolarHBondContact O-N 2.79Å; D251-P278 WeakPolarHBondContact O-CD 3.49Å; D251-P278 WeakPolarHBondContact O-CG 3.39Å
252	S	98.6	Very high	97.6	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.028	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	158.8	174.8	76.2	0	0	0	0	110.7	S51 L54 I55 P278	S51-S252 WeakPolarHBondContact CB-OG 3.4Å; S51-S252 PolarHBondContact OG-OG 2.9Å; L54-S252 WeakPolarHBondContact CD1-OG 3.44Å; I55-S252 WeakPolarHBondContact CG2-O 3.42Å; I55-S252 PolarHBondContact N-O 3.45Å; S252-P278 WeakPolarHBondContact CA-O 3.38Å
253	L	98.8	Very high	97.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.1	177.9	-174.3	152.3	0	0	0	111	I55 V255 I269 A272 P278 I279 A280	I55-L253 HydrophobicContact CG2-CB 3.74Å; I55-L253 HydrophobicContact CG2-CD1 3.77Å; I55-L253 HydrophobicContact CG2-CG 3.66Å; I55-L253 CarbonylContact O-C 3.56Å; I55-L253 WeakPolarHBondContact O-CA 3.46Å; L253-V255 HydrophobicContact CD2-CG2 3.48Å; L253-V255 VanDerWaalsContact CD2-CG2 3.48Å; L253-I269 HydrophobicContact CD1-CD1 4.01Å; L253-I269 HydrophobicContact CD2-CD1 3.54Å; L253-I269 HydrophobicContact CG-CD1 4.48Å; L253-A272 HydrophobicContact CB-CB 4.35Å; L253-A272 HydrophobicContact CD1-CB 3.8Å; L253-P278 PolarHBondContact N-O 3.01Å; L253-I279 HydrophobicContact CB-CG1 4.3Å; L253-I279 HydrophobicContact CD2-CG2 4.13Å; L253-I279 CarbonylContact O-C 3.6Å; L253-I279 WeakPolarHBondContact O-CA 3.23Å; L253-A280 PolarHBondContact O-N 3.27Å
254	L	98.9	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125	171.3	172.3	66.6	0	0	0	110.6	L44 I48 L54 I55 V56 M57 W128 V256 A280 L282 L305	L44-L254 HydrophobicContact CD1-CD1 4.19Å; I48-L254 HydrophobicContact CD1-CD2 4.25Å; L54-L254 HydrophobicContact CD1-CB 3.93Å; I55-L254 PolarHBondContact O-N 3.18Å; V56-L254 CarbonylContact C-O 2.97Å; V56-L254 VanDerWaalsContact CA-O 3.31Å; V56-L254 WeakPolarHBondContact CA-O 3.37Å; V56-L254 HydrophobicContact CG2-CB 4.24Å; V56-L254 HydrophobicContact CG2-CD2 4.32Å; M57-L254 PolarHBondContact N-O 3.03Å; W128-L254 HydrophobicContact CH2-CD2 4.37Å; W128-L254 HydrophobicContact CZ3-CD2 4.03Å; L254-V256 HydrophobicContact CD1-CG2 4.39Å; L254-V256 HydrophobicContact CD2-CG2 3.88Å; L254-V256 HydrophobicContact CG-CG2 3.79Å; L254-A280 CarbonylContact C-O 3.59Å; L254-A280 WeakPolarHBondContact CA-O 3.25Å; L254-A280 HydrophobicContact CD1-CB 3.83Å; L254-L282 HydrophobicContact CD1-CB 4.37Å; L254-L305 HydrophobicContact CD2-CD2 4.4Å
255	V	98.9	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.9	170.3	-173.2	0	0	0	0	109.3	M57 L253 L260 I269 A280 I281 L282	M57-V255 CarbonylContact O-C 3.5Å; M57-V255 WeakPolarHBondContact O-CA 3.35Å; L253-V255 HydrophobicContact CD2-CG2 3.48Å; L253-V255 VanDerWaalsContact CD2-CG2 3.48Å; V255-L260 HydrophobicContact CG1-CD1 3.83Å; V255-L260 HydrophobicContact CG1-CD2 4.4Å; V255-L260 HydrophobicContact CG1-CG 4.18Å; V255-L260 HydrophobicContact CG2-CD1 4.01Å; V255-I269 HydrophobicContact CG2-CD1 3.6Å; V255-A280 PolarHBondContact N-O 3.48Å; V255-I281 HydrophobicContact CB-CB 4.45Å; V255-I281 HydrophobicContact CB-CG1 4.08Å; V255-I281 HydrophobicContact CB-CG2 4.35Å; V255-I281 HydrophobicContact CG2-CG1 4.11Å; V255-L282 PolarHBondContact O-N 2.98Å
256	V	98.8	Very high	97	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.9	177.2	-172	0	0	0	0	110.7	V56 M57 T58 G59 I62 L254 S258 L282 C301 L305	V56-V256 HydrophobicContact CG1-CG2 4.17Å; M57-V256 PolarHBondContact O-N 3.5Å; T58-V256 VanDerWaalsContact CA-O 3.3Å; T58-V256 WeakPolarHBondContact CA-O 3.36Å; T58-V256 HydrophobicContact CG2-CB 4.23Å; G59-V256 PolarHBondContact N-O 3.2Å; I62-V256 HydrophobicContact CB-CG1 4.44Å; I62-V256 HydrophobicContact CD1-CB 4.49Å; I62-V256 HydrophobicContact CD1-CG1 3.97Å; I62-V256 HydrophobicContact CG1-CG1 4.09Å; L254-V256 HydrophobicContact CD1-CG2 4.39Å; L254-V256 HydrophobicContact CD2-CG2 3.88Å; L254-V256 HydrophobicContact CG-CG2 3.79Å; V256-S258 PolarHBondContact O-N 3.11Å; V256-L282 WeakPolarHBondContact CA-O 3.44Å; V256-C301 HydrophobicContact CG1-CB 3.56Å; V256-L305 HydrophobicContact CG1-CD1 4.13Å; V256-L305 HydrophobicContact CG2-CD1 4.41Å
257	G	97.6	Very high	97	Very high	5 Å²	5	32.1 Å²	32.1	5%	0.052	15%	0.154	C	C	.	.	S	Bend	trans	63.2	38	169.6	0	0	0	0	0	114.3	G59 A60 G61 L282 N283	G59-G257 CarbonylContact C-O 3.57Å; G59-G257 VanDerWaalsContact CA-O 3.24Å; G59-G257 WeakPolarHBondContact CA-O 3.35Å; A60-G257 PolarHBondContact N-O 3.08Å; G61-G257 VanDerWaalsContact CA-O 3.31Å; G61-G257 WeakPolarHBondContact CA-O 3.45Å; G61-G257 PolarHBondContact N-O 3.3Å; G257-L282 PolarHBondContact N-O 3.4Å; G257-N283 VanDerWaalsContact C-OD1 3.24Å; G257-N283 WeakPolarHBondContact CA-OD1 3.49Å
258	S	97.6	Very high	97	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.042	15%	0.154	C	C	.	.			trans	-132.9	128.2	179	177.3	0	0	0	0	110.8	Q140 V256 L260 N283 T287	Q140-S258 PolarHBondContact NE2-OG 2.83Å; V256-S258 PolarHBondContact O-N 3.11Å; S258-L260 PolarHBondContact O-N 3.24Å; S258-L260 WeakPolarHBondContact OG-CD2 3.31Å; S258-L260 WeakPolarHBondContact OG-CG 3.41Å; S258-L260 PolarHBondContact OG-N 3.07Å; S258-N283 PolarHBondContact N-OD1 3.06Å; S258-T287 WeakPolarHBondContact O-CG2 3.26Å
259	S	95.5	Very high	97	Very high	29 Å²	29	26.3 Å²	26.3	20%	0.203	13%	0.129	C	C	.	.			trans	-73.4	-15.1	171.4	70.2	0	0	0	0	113.4	Q261 T287 R288	S259-Q261 PolarHBondContact O-N 3.34Å; S259-Q261 WeakPolarHBondContact OG-CG 3.36Å; S259-T287 WeakPolarHBondContact O-CA 3.23Å; S259-R288 PolarHBondContact O-N 2.92Å
260	L	96.8	Very high	97	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.123	C	C	.	.			trans	54.5	21.2	-178.6	-62.3	167.2	0	0	0	114.5	V255 S258 V262 Y266 I269 R288 S289	V255-L260 HydrophobicContact CG1-CD1 3.83Å; V255-L260 HydrophobicContact CG1-CD2 4.4Å; V255-L260 HydrophobicContact CG1-CG 4.18Å; V255-L260 HydrophobicContact CG2-CD1 4.01Å; S258-L260 PolarHBondContact O-N 3.24Å; S258-L260 WeakPolarHBondContact OG-CD2 3.31Å; S258-L260 WeakPolarHBondContact OG-CG 3.41Å; S258-L260 PolarHBondContact OG-N 3.07Å; L260-V262 PolarHBondContact O-N 3.08Å; L260-Y266 HydrophobicContact CB-CD2 4.28Å; L260-Y266 WeakPolarHBondContact O-CB 3.35Å; L260-I269 HydrophobicContact CD1-CD1 4.1Å; L260-I269 HydrophobicContact CD1-CG1 3.77Å; L260-I269 HydrophobicContact CD2-CD1 4.43Å; L260-I269 HydrophobicContact CD2-CG1 4.14Å; L260-R288 HydrophobicContact CB-CB 4.33Å; L260-R288 WeakPolarHBondContact O-CB 3.47Å; L260-R288 WeakPolarHBondContact O-CD 3.18Å; L260-S289 WeakPolarHBondContact CD1-OG 3.48Å
261	Q	93.1	Very high	96.9	Very high	98 Å²	98	24.8 Å²	24.8	46%	0.458	12%	0.122	S	C	.	.			trans	-68.1	-27.6	177.7	-67.9	-62.4	-16.9	0	0	112.2	S259	S259-Q261 PolarHBondContact O-N 3.34Å; S259-Q261 WeakPolarHBondContact OG-CG 3.36Å
262	V	90.9	Very high	96.9	Very high	47 Å²	47	22.3 Å²	22.3	29%	0.285	11%	0.108	S	C	.	.	S	Bend	trans	-84.3	125.8	176.5	-169.5	0	0	0	0	109.8	L260 S264 G265 Y266	L260-V262 PolarHBondContact O-N 3.08Å; V262-S264 VanDerWaalsContact CG1-OG 3.24Å; V262-S264 WeakPolarHBondContact CG1-OG 3.2Å; V262-S264 PolarHBondContact O-N 2.93Å; V262-S264 VanDerWaalsContact O-N 3.08Å; V262-G265 PolarHBondContact O-N 2.86Å; V262-Y266 PolarHBondContact O-N 2.78Å
263	Y	93.9	Very high	96.9	Very high	129 Å²	129	29 Å²	29	51%	0.506	13%	0.133	S	C	.	.	H	α-helix	trans	-59.4	-24.3	-177	-172.2	-106	0	0	0	113.9	G265 Y266 R267 L270	Y263-G265 VanDerWaalsContact C-N 3.32Å; Y263-G265 PolarHBondContact O-N 3.42Å; Y263-Y266 HydrophobicContact CD2-CD1 4.07Å; Y263-Y266 HydrophobicContact CE2-CD1 4.34Å; Y263-Y266 PolarHBondContact O-N 2.96Å; Y263-R267 HydrophobicContact CE1-CB 4.12Å; Y263-R267 HydrophobicContact CE2-CB 4.45Å; Y263-R267 WeakPolarHBondContact O-CB 3.42Å; Y263-R267 PolarHBondContact O-N 3.42Å; Y263-R267 VanDerWaalsContact O-N 3.08Å; Y263-R267 PolarHBondContact O-NE 2.96Å; Y263-L270 HydrophobicContact CE2-CD1 4.05Å
264	S	93.4	Very high	96.8	Very high	14 Å²	14	36 Å²	36	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-40.2	177.2	59.4	0	0	0	0	113.2	L157 H158 V262 R267 F268	L157-S264 WeakPolarHBondContact CD2-O 3.31Å; H158-S264 PolarHBondContact CE1-OG 3.22Å; H158-S264 VanDerWaalsContact CE1-OG 3.27Å; H158-S264 WeakPolarHBondContact NE2-CB 3.31Å; H158-S264 PolarHBondContact NE2-OG 2.78Å; V262-S264 VanDerWaalsContact CG1-OG 3.24Å; V262-S264 WeakPolarHBondContact CG1-OG 3.2Å; V262-S264 PolarHBondContact O-N 2.93Å; V262-S264 VanDerWaalsContact O-N 3.08Å; S264-R267 WeakPolarHBondContact O-CG 3.49Å; S264-R267 PolarHBondContact O-NE 3.16Å; S264-F268 VanDerWaalsContact O-CE2 3.26Å; S264-F268 WeakPolarHBondContact O-CE2 3.46Å
265	G	95.6	Very high	96.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-84.8	-42.8	172.1	0	0	0	0	0	112.9	V262 Y263 R267 F268	V262-G265 PolarHBondContact O-N 2.86Å; Y263-G265 VanDerWaalsContact C-N 3.32Å; Y263-G265 PolarHBondContact O-N 3.42Å; G265-R267 VanDerWaalsContact C-N 3.28Å; G265-R267 PolarHBondContact O-N 3.49Å; G265-F268 WeakPolarHBondContact O-CD2 3.21Å; G265-F268 PolarHBondContact O-N 3.29Å
266	Y	97.9	Very high	96.7	Very high	25 Å²	25	50.5 Å²	50.5	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-33	-174.7	-176.1	-115	0	0	0	114.1	L260 V262 Y263 F268 I269 L270 R288 L292	L260-Y266 HydrophobicContact CB-CD2 4.28Å; L260-Y266 WeakPolarHBondContact O-CB 3.35Å; V262-Y266 PolarHBondContact O-N 2.78Å; Y263-Y266 HydrophobicContact CD2-CD1 4.07Å; Y263-Y266 HydrophobicContact CE2-CD1 4.34Å; Y263-Y266 PolarHBondContact O-N 2.96Å; Y266-F268 PolarHBondContact O-N 2.7Å; Y266-F268 VanDerWaalsContact O-N 3.08Å; Y266-I269 HydrophobicContact CD2-CB 4.47Å; Y266-I269 WeakPolarHBondContact O-CB 3.32Å; Y266-I269 PolarHBondContact O-N 3.45Å; Y266-L270 HydrophobicContact CD1-CD1 3.98Å; Y266-L270 HydrophobicContact CD1-CG 4.1Å; Y266-L270 HydrophobicContact CE1-CD1 3.76Å; Y266-L270 HydrophobicContact CE1-CD2 3.72Å; Y266-L270 HydrophobicContact CE1-CG 3.79Å; Y266-L270 PolarHBondContact O-N 3.35Å; Y266-R288 HydrophobicContact CD2-CB 4.19Å; Y266-R288 HydrophobicContact CD2-CG 4.06Å; Y266-R288 HydrophobicContact CE2-CB 4.17Å; Y266-R288 HydrophobicContact CE2-CG 3.79Å; Y266-L292 HydrophobicContact CE2-CD1 4.36Å
267	R	97.9	Very high	96.7	Very high	59 Å²	59	51.8 Å²	51.8	22%	0.223	24%	0.235	C	C	.	.	H	α-helix	trans	-54	-31	178.5	71.7	-176.7	69.5	-178.2	2	113.7	Y263 S264 G265 L270 T271	Y263-R267 HydrophobicContact CE1-CB 4.12Å; Y263-R267 HydrophobicContact CE2-CB 4.45Å; Y263-R267 WeakPolarHBondContact O-CB 3.42Å; Y263-R267 PolarHBondContact O-N 3.42Å; Y263-R267 VanDerWaalsContact O-N 3.08Å; Y263-R267 PolarHBondContact O-NE 2.96Å; S264-R267 WeakPolarHBondContact O-CG 3.49Å; S264-R267 PolarHBondContact O-NE 3.16Å; G265-R267 VanDerWaalsContact C-N 3.28Å; G265-R267 PolarHBondContact O-N 3.49Å; R267-L270 PolarHBondContact O-N 3.41Å; R267-T271 PolarHBondContact O-N 2.93Å; R267-T271 VanDerWaalsContact O-N 3.12Å; R267-T271 PolarHBondContact O-OG1 3.4Å
268	F	98.4	Very high	96.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-77.6	-26.4	-179.7	-58.6	-58	0	0	0	112.3	M57 L157 V240 V243 H244 V247 S264 G265 Y266 T271 A272	M57-F268 HydrophobicContact CE-CB 4Å; M57-F268 HydrophobicContact CE-CD2 3.48Å; M57-F268 VanDerWaalsContact CE-CD2 3.48Å; M57-F268 HydrophobicContact CE-CE2 4.32Å; M57-F268 HydrophobicContact CE-CG 4.06Å; L157-F268 HydrophobicContact CD1-CE2 3.71Å; L157-F268 HydrophobicContact CD1-CZ 3.96Å; L157-F268 HydrophobicContact CD2-CE2 3.84Å; L157-F268 HydrophobicContact CG-CE2 4.45Å; V240-F268 HydrophobicContact CG1-CE1 4.4Å; V240-F268 HydrophobicContact CG1-CZ 4.37Å; V243-F268 HydrophobicContact CB-CD1 4.12Å; V243-F268 HydrophobicContact CB-CE1 3.5Å; V243-F268 VanDerWaalsContact CB-CE1 3.5Å; V243-F268 HydrophobicContact CB-CE2 4.32Å; V243-F268 HydrophobicContact CB-CZ 3.61Å; V243-F268 HydrophobicContact CG1-CD1 3.44Å; V243-F268 VanDerWaalsContact CG1-CD1 3.44Å; V243-F268 HydrophobicContact CG1-CD2 3.95Å; V243-F268 HydrophobicContact CG1-CE1 3.33Å; V243-F268 HydrophobicContact CG1-CE2 3.83Å; V243-F268 HydrophobicContact CG1-CG 3.74Å; V243-F268 HydrophobicContact CG1-CZ 3.52Å; V243-F268 HydrophobicContact CG2-CZ 4.32Å; H244-F268 AromaticContact CD2-CE1 3.79Å; H244-F268 AromaticContact CE1-CD1 3.76Å; H244-F268 AromaticContact CE1-CE1 3.82Å; H244-F268 AromaticContact CG-CE1 3.94Å; H244-F268 AromaticContact ND1-CD1 3.77Å; H244-F268 AromaticContact ND1-CE1 3.96Å; H244-F268 AromaticContact NE2-CE1 3.69Å; V247-F268 HydrophobicContact CG2-CB 4.11Å; V247-F268 HydrophobicContact CG2-CD1 4.38Å; S264-F268 VanDerWaalsContact O-CE2 3.26Å; S264-F268 WeakPolarHBondContact O-CE2 3.46Å; G265-F268 WeakPolarHBondContact O-CD2 3.21Å; G265-F268 PolarHBondContact O-N 3.29Å; Y266-F268 PolarHBondContact O-N 2.7Å; Y266-F268 VanDerWaalsContact O-N 3.08Å; F268-T271 PolarHBondContact O-N 2.88Å; F268-A272 PolarHBondContact O-N 2.78Å
269	I	98.3	Very high	96.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.6	-39.2	172	-45.8	-57.1	0	0	0	110.1	L253 V255 L260 Y266 A272 R273 I279 L292	L253-I269 HydrophobicContact CD1-CD1 4.01Å; L253-I269 HydrophobicContact CD2-CD1 3.54Å; L253-I269 HydrophobicContact CG-CD1 4.48Å; V255-I269 HydrophobicContact CG2-CD1 3.6Å; L260-I269 HydrophobicContact CD1-CD1 4.1Å; L260-I269 HydrophobicContact CD1-CG1 3.77Å; L260-I269 HydrophobicContact CD2-CD1 4.43Å; L260-I269 HydrophobicContact CD2-CG1 4.14Å; Y266-I269 HydrophobicContact CD2-CB 4.47Å; Y266-I269 WeakPolarHBondContact O-CB 3.32Å; Y266-I269 PolarHBondContact O-N 3.45Å; I269-A272 PolarHBondContact O-N 2.87Å; I269-R273 PolarHBondContact O-N 3.37Å; I269-I279 HydrophobicContact CG2-CD1 3.97Å; I269-L292 HydrophobicContact CG2-CD1 4.21Å
270	L	98.3	Very high	97	Very high	42 Å²	42	52.8 Å²	52.8	22%	0.22	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-43.9	172.7	-62.2	179.1	0	0	0	111.5	Y263 Y266 R267 A272 R273 E274 L292	Y263-L270 HydrophobicContact CE2-CD1 4.05Å; Y266-L270 HydrophobicContact CD1-CD1 3.98Å; Y266-L270 HydrophobicContact CD1-CG 4.1Å; Y266-L270 HydrophobicContact CE1-CD1 3.76Å; Y266-L270 HydrophobicContact CE1-CD2 3.72Å; Y266-L270 HydrophobicContact CE1-CG 3.79Å; Y266-L270 PolarHBondContact O-N 3.35Å; R267-L270 PolarHBondContact O-N 3.41Å; L270-A272 PolarHBondContact O-N 3.29Å; L270-R273 WeakPolarHBondContact O-CB 3.43Å; L270-R273 PolarHBondContact O-N 2.9Å; L270-E274 WeakPolarHBondContact O-CG 3.29Å; L270-E274 PolarHBondContact O-N 3.32Å; L270-L292 HydrophobicContact CD2-CD1 4.24Å
271	T	98.3	Very high	97.1	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-40.7	174	-57.5	0	0	0	0	112.6	H244 V247 K248 R267 F268 R273 E274 K275	H244-T271 PolarHBondContact CE1-OG1 3.48Å; H244-T271 PolarHBondContact ND1-OG1 3.04Å; V247-T271 HydrophobicContact CB-CG2 4.31Å; V247-T271 HydrophobicContact CG1-CG2 3.9Å; K248-T271 HydrophobicContact CG-CG2 4.06Å; R267-T271 PolarHBondContact O-N 2.93Å; R267-T271 VanDerWaalsContact O-N 3.12Å; R267-T271 PolarHBondContact O-OG1 3.4Å; F268-T271 PolarHBondContact O-N 2.88Å; T271-R273 VanDerWaalsContact C-N 3.34Å; T271-E274 PolarHBondContact O-N 3.35Å; T271-K275 PolarHBondContact O-N 3.25Å
272	A	98.4	Very high	97.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-42.2	174.6	0	0	0	0	0	111.6	V247 L253 F268 I269 L270 K275 K276 L277 I279	V247-A272 HydrophobicContact CG1-CB 4.03Å; L253-A272 HydrophobicContact CB-CB 4.35Å; L253-A272 HydrophobicContact CD1-CB 3.8Å; F268-A272 PolarHBondContact O-N 2.78Å; I269-A272 PolarHBondContact O-N 2.87Å; L270-A272 PolarHBondContact O-N 3.29Å; A272-K275 CarbonylContact O-C 3.51Å; A272-K275 PolarHBondContact O-N 2.69Å; A272-K276 PolarHBondContact O-N 3.16Å; A272-L277 HydrophobicContact CB-CB 4.19Å; A272-L277 HydrophobicContact CB-CD1 4.16Å; A272-L277 HydrophobicContact CB-CG 4.47Å; A272-L277 PolarHBondContact O-N 3.16Å; A272-I279 HydrophobicContact CB-CD1 3.99Å; A272-I279 HydrophobicContact CB-CG1 4.11Å
273	R	97.6	Very high	97.7	Very high	145 Å²	145	46.8 Å²	46.8	55%	0.547	21%	0.209	S	C	.	.	H	α-helix	trans	-61.4	-46.3	174.6	-175.7	-166.9	-177.7	171.8	0.4	112.1	I269 L270 T271 K275 K276 L292	I269-R273 PolarHBondContact O-N 3.37Å; L270-R273 WeakPolarHBondContact O-CB 3.43Å; L270-R273 PolarHBondContact O-N 2.9Å; T271-R273 VanDerWaalsContact C-N 3.34Å; R273-K275 PolarHBondContact O-N 3.37Å; R273-K276 WeakPolarHBondContact O-CA 3.09Å; R273-K276 PolarHBondContact O-N 3.06Å; R273-L292 VanDerWaalsContact NH1-CD2 3.3Å
274	E	97.6	Very high	97.7	Very high	147 Å²	147	42.3 Å²	42.3	69%	0.687	19%	0.194	S	C	*	.	H	α-helix	trans	-57.7	-36.1	175.8	-73.2	166.7	-173.3	0	0	111.8	L270 T271 K276	L270-E274 WeakPolarHBondContact O-CG 3.29Å; L270-E274 PolarHBondContact O-N 3.32Å; T271-E274 PolarHBondContact O-N 3.35Å; E274-K276 VanDerWaalsContact C-N 3.28Å
275	K	97.8	Very high	97.7	Very high	115 Å²	115	42.9 Å²	42.9	50%	0.5	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.5	174.8	-70.3	-62.3	-175.2	-176.2	0	114.3	K248 T271 A272 R273 L277	K248-K275 HydrophobicContact CG-CG 4.3Å; T271-K275 PolarHBondContact O-N 3.25Å; A272-K275 CarbonylContact O-C 3.51Å; A272-K275 PolarHBondContact O-N 2.69Å; R273-K275 PolarHBondContact O-N 3.37Å; K275-L277 HydrophobicContact CB-CD2 4.29Å; K275-L277 HydrophobicContact CB-CG 3.95Å; K275-L277 PolarHBondContact O-N 3.42Å
276	K	98.1	Very high	97.7	Very high	191 Å²	191	47.9 Å²	47.9	83%	0.83	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	34.1	-177.9	-55.1	179	179.1	-179.8	0	112.5	A272 R273 E274	A272-K276 PolarHBondContact O-N 3.16Å; R273-K276 WeakPolarHBondContact O-CA 3.09Å; R273-K276 PolarHBondContact O-N 3.06Å; E274-K276 VanDerWaalsContact C-N 3.28Å
277	L	98.4	Very high	97.7	Very high	26 Å²	26	47.3 Å²	47.3	14%	0.136	23%	0.234	C	C	.	.			trans	-71.4	139.1	174.3	-57.9	-174	0	0	0	109.4	V247 A250 A272 K275 I279	V247-L277 HydrophobicContact CG1-CD1 4.28Å; V247-L277 WeakPolarHBondContact O-CD1 3.08Å; A250-L277 HydrophobicContact CB-CD1 4.23Å; A250-L277 WeakPolarHBondContact O-CD2 3.21Å; A272-L277 HydrophobicContact CB-CB 4.19Å; A272-L277 HydrophobicContact CB-CD1 4.16Å; A272-L277 HydrophobicContact CB-CG 4.47Å; A272-L277 PolarHBondContact O-N 3.16Å; K275-L277 HydrophobicContact CB-CD2 4.29Å; K275-L277 HydrophobicContact CB-CG 3.95Å; K275-L277 PolarHBondContact O-N 3.42Å; L277-I279 PolarHBondContact O-N 2.73Å
278	P	98.6	Very high	97.6	Very high	59 Å²	59	49.3 Å²	49.3	38%	0.383	24%	0.241	S	C	.	.			trans	-61.2	130.9	166.3	27.6	-34.5	0	0	0	109.6	F47 D251 S252 L253	F47-P278 HydrophobicContact CE2-CB 3.85Å; F47-P278 HydrophobicContact CZ-CB 4.45Å; D251-P278 WeakPolarHBondContact O-CD 3.49Å; D251-P278 WeakPolarHBondContact O-CG 3.39Å; S252-P278 WeakPolarHBondContact CA-O 3.38Å; L253-P278 PolarHBondContact N-O 3.01Å
279	I	98.8	Very high	97.5	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123	-177.8	-64.7	157.5	0	0	0	108.6	L253 I269 A272 L277 I281 A293 C294 L295	L253-I279 HydrophobicContact CB-CG1 4.3Å; L253-I279 HydrophobicContact CD2-CG2 4.13Å; L253-I279 CarbonylContact O-C 3.6Å; L253-I279 WeakPolarHBondContact O-CA 3.23Å; I269-I279 HydrophobicContact CG2-CD1 3.97Å; A272-I279 HydrophobicContact CB-CD1 3.99Å; A272-I279 HydrophobicContact CB-CG1 4.11Å; L277-I279 PolarHBondContact O-N 2.73Å; I279-I281 HydrophobicContact CG2-CG1 4.29Å; I279-A293 HydrophobicContact CG2-CB 4.22Å; I279-A293 CarbonylContact O-C 3.58Å; I279-A293 WeakPolarHBondContact O-CA 3.19Å; I279-C294 PolarHBondContact O-N 2.91Å; I279-C294 PolarHBondContact O-SG 3.13Å; I279-L295 PolarHBondContact O-N 2.71Å
280	A	98.8	Very high	97.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.8	168.9	0	0	0	0	0	110.6	F47 L253 L254 V255 L295	F47-A280 HydrophobicContact CD1-CB 3.84Å; F47-A280 HydrophobicContact CD2-CB 3.83Å; F47-A280 HydrophobicContact CE1-CB 3.64Å; F47-A280 HydrophobicContact CE2-CB 3.59Å; F47-A280 HydrophobicContact CG-CB 3.94Å; F47-A280 HydrophobicContact CZ-CB 3.51Å; L253-A280 PolarHBondContact O-N 3.27Å; L254-A280 CarbonylContact C-O 3.59Å; L254-A280 WeakPolarHBondContact CA-O 3.25Å; L254-A280 HydrophobicContact CD1-CB 3.83Å; V255-A280 PolarHBondContact N-O 3.48Å; A280-L295 CarbonylContact C-O 3.53Å; A280-L295 VanDerWaalsContact CA-O 3.3Å; A280-L295 WeakPolarHBondContact CA-O 3.18Å; A280-L295 HydrophobicContact CB-CB 4.11Å; A280-L295 HydrophobicContact CB-CD2 4.27Å; A280-L295 HydrophobicContact CB-CG 4.46Å
281	I	98.8	Very high	97.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.7	176.9	-58.8	-179.4	0	0	0	108.9	V255 I279 N283 T287 S289 A293 L295 K296 L297	V255-I281 HydrophobicContact CB-CB 4.45Å; V255-I281 HydrophobicContact CB-CG1 4.08Å; V255-I281 HydrophobicContact CB-CG2 4.35Å; V255-I281 HydrophobicContact CG2-CG1 4.11Å; I279-I281 HydrophobicContact CG2-CG1 4.29Å; I281-N283 HydrophobicContact CG2-CB 3.86Å; I281-T287 WeakPolarHBondContact CD1-OG1 3.22Å; I281-T287 HydrophobicContact CG2-CG2 3.84Å; I281-S289 WeakPolarHBondContact CD1-O 3.36Å; I281-S289 VanDerWaalsContact CD1-OG 3.27Å; I281-S289 WeakPolarHBondContact CD1-OG 3.36Å; I281-A293 HydrophobicContact CD1-CB 3.68Å; I281-A293 HydrophobicContact CG1-CB 3.8Å; I281-L295 PolarHBondContact N-O 3.24Å; I281-K296 HydrophobicContact CB-CD 3.71Å; I281-K296 HydrophobicContact CG2-CD 3.61Å; I281-K296 CarbonylContact O-C 3.54Å; I281-K296 WeakPolarHBondContact O-CA 3.5Å; I281-L297 PolarHBondContact O-N 3.06Å
282	L	98.6	Very high	97.4	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	97.6	168.2	176.2	55.6	0	0	0	109	L44 L254 V255 V256 G257 L297 C301 L304 L305	L44-L282 HydrophobicContact CD2-CD2 4.4Å; L254-L282 HydrophobicContact CD1-CB 4.37Å; V255-L282 PolarHBondContact O-N 2.98Å; V256-L282 WeakPolarHBondContact CA-O 3.44Å; G257-L282 PolarHBondContact N-O 3.4Å; L282-L297 HydrophobicContact CD1-CB 3.85Å; L282-C301 HydrophobicContact CD2-CB 3.9Å; L282-C301 HydrophobicContact CG-CB 4.17Å; L282-L304 HydrophobicContact CD1-CD1 3.56Å; L282-L304 HydrophobicContact CD2-CD1 4.32Å; L282-L305 HydrophobicContact CD2-CD1 4.41Å; L282-L305 HydrophobicContact CD2-CD2 3.53Å; L282-L305 HydrophobicContact CD2-CG 3.72Å
283	N	97.7	Very high	97.3	Very high	19 Å²	19	57.7 Å²	57.7	10%	0.102	29%	0.289	C	S	.	.			trans	-157	131.5	-177.1	-168.2	75.6	0	0	0	109.9	G257 S258 I281 G285 T287 K296 L297 D298	G257-N283 VanDerWaalsContact C-OD1 3.24Å; G257-N283 WeakPolarHBondContact CA-OD1 3.49Å; S258-N283 PolarHBondContact N-OD1 3.06Å; I281-N283 HydrophobicContact CG2-CB 3.86Å; N283-G285 PolarHBondContact ND2-N 3.33Å; N283-G285 PolarHBondContact ND2-O 3.17Å; N283-G285 PolarHBondContact O-N 3.49Å; N283-T287 HydrophobicContact CB-CG2 4.04Å; N283-K296 WeakPolarHBondContact O-CE 3.47Å; N283-L297 PolarHBondContact N-O 3.21Å; N283-D298 WeakPolarHBondContact O-CA 3.41Å
284	I	95.4	Very high	97.3	Very high	35 Å²	35	55 Å²	55	18%	0.179	29%	0.292	C	S	.	.	S	Bend	trans	-59.9	-44.7	-177.7	-62.6	165.4	0	0	0	112	V30 P31 P32 S299 R300	V30-I284 HydrophobicContact CG1-CD1 4.05Å; P31-I284 HydrophobicContact CB-CG2 4.45Å; P31-I284 HydrophobicContact CG-CB 4.12Å; P31-I284 HydrophobicContact CG-CD1 3.69Å; P31-I284 HydrophobicContact CG-CG2 3.98Å; P32-I284 WeakPolarHBondContact O-CG2 3.49Å; I284-S299 WeakPolarHBondContact CG1-O 3.41Å; I284-R300 HydrophobicContact CD1-CG 3.96Å
285	G	92.9	Very high	97.4	Very high	26 Å²	26	49.2 Å²	49.2	27%	0.268	27%	0.265	S	S	.	.	S	Bend	trans	-97.5	179.4	-177.8	0	0	0	0	0	114.1	N283 K296	N283-G285 PolarHBondContact ND2-N 3.33Å; N283-G285 PolarHBondContact ND2-O 3.17Å; N283-G285 PolarHBondContact O-N 3.49Å; G285-K296 PolarHBondContact O-NZ 2.94Å
286	P	95.4	Very high	97.4	Very high	105 Å²	105	46 Å²	46	68%	0.682	25%	0.251	S	S	*	.			trans	-64.3	153.4	174.8	28.3	-35.3	0	0	0	111.8	D290	P286-D290 VanDerWaalsContact CA-OD2 3.31Å; P286-D290 WeakPolarHBondContact CA-OD2 3.43Å
287	T	97.3	Very high	97.3	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	21%	0.211	C	C	.	.			trans	-126.3	160.6	171.8	80.1	0	0	0	0	111.3	S258 S259 I281 N283 S289 D290	S258-T287 WeakPolarHBondContact O-CG2 3.26Å; S259-T287 WeakPolarHBondContact O-CA 3.23Å; I281-T287 WeakPolarHBondContact CD1-OG1 3.22Å; I281-T287 HydrophobicContact CG2-CG2 3.84Å; N283-T287 HydrophobicContact CB-CG2 4.04Å; T287-S289 PolarHBondContact O-N 2.89Å; T287-S289 VanDerWaalsContact O-N 3.1Å; T287-S289 PolarHBondContact OG1-N 3.07Å; T287-S289 PolarHBondContact OG1-OG 2.9Å; T287-D290 WeakPolarHBondContact CB-OD1 3.22Å; T287-D290 VanDerWaalsContact N-CG 3.34Å; T287-D290 PolarHBondContact N-OD1 3.2Å; T287-D290 PolarHBondContact N-OD2 2.73Å; T287-D290 PolarHBondContact O-N 3.03Å; T287-D290 PolarHBondContact OG1-N 3.37Å; T287-D290 PolarHBondContact OG1-OD1 3.05Å
288	R	97.1	Very high	97.2	Very high	101 Å²	101	38.4 Å²	38.4	38%	0.381	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11	173.9	-170	177.7	171.6	177.5	0.1	113.7	S259 L260 Y266	S259-R288 PolarHBondContact O-N 2.92Å; L260-R288 HydrophobicContact CB-CB 4.33Å; L260-R288 WeakPolarHBondContact O-CB 3.47Å; L260-R288 WeakPolarHBondContact O-CD 3.18Å; Y266-R288 HydrophobicContact CD2-CB 4.19Å; Y266-R288 HydrophobicContact CD2-CG 4.06Å; Y266-R288 HydrophobicContact CE2-CB 4.17Å; Y266-R288 HydrophobicContact CE2-CG 3.79Å
289	S	95.9	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	20.6	-174.7	63.3	0	0	0	0	113.5	L260 I281 T287 D291 L292 A293	L260-S289 WeakPolarHBondContact CD1-OG 3.48Å; I281-S289 WeakPolarHBondContact CD1-O 3.36Å; I281-S289 VanDerWaalsContact CD1-OG 3.27Å; I281-S289 WeakPolarHBondContact CD1-OG 3.36Å; T287-S289 PolarHBondContact O-N 2.89Å; T287-S289 VanDerWaalsContact O-N 3.1Å; T287-S289 PolarHBondContact OG1-N 3.07Å; T287-S289 PolarHBondContact OG1-OG 2.9Å; S289-D291 PolarHBondContact O-N 3.48Å; S289-L292 PolarHBondContact O-N 3.05Å; S289-A293 PolarHBondContact O-N 3.31Å
290	D	97.6	Very high	96.9	Very high	52 Å²	52	38.7 Å²	38.7	28%	0.278	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-60.5	-36.6	179.7	-69.4	-17.9	0	0	0	111.1	P286 T287 L292 A293 K296	P286-D290 VanDerWaalsContact CA-OD2 3.31Å; P286-D290 WeakPolarHBondContact CA-OD2 3.43Å; T287-D290 WeakPolarHBondContact CB-OD1 3.22Å; T287-D290 VanDerWaalsContact N-CG 3.34Å; T287-D290 PolarHBondContact N-OD1 3.2Å; T287-D290 PolarHBondContact N-OD2 2.73Å; T287-D290 PolarHBondContact O-N 3.03Å; T287-D290 PolarHBondContact OG1-N 3.37Å; T287-D290 PolarHBondContact OG1-OD1 3.05Å; D290-L292 PolarHBondContact O-N 3.24Å; D290-A293 PolarHBondContact O-N 3.27Å; D290-K296 IonicContact OD1-NZ 3.88Å; D290-K296 PolarHBondContact OD1-NZ 3.4Å; D290-K296 IonicContact OD2-NZ 2.86Å
291	D	97.1	Very high	96.9	Very high	127 Å²	127	39 Å²	39	68%	0.679	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-68.7	-16	175.7	66.9	-47.9	0	0	0	114.2	S289	S289-D291 PolarHBondContact O-N 3.48Å
292	L	97.1	Very high	96.8	Very high	24 Å²	24	39.4 Å²	39.4	13%	0.126	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-97.3	-12.2	179.6	-51.6	-173.6	0	0	0	112.7	Y266 I269 L270 R273 S289 D290	Y266-L292 HydrophobicContact CE2-CD1 4.36Å; I269-L292 HydrophobicContact CG2-CD1 4.21Å; L270-L292 HydrophobicContact CD2-CD1 4.24Å; R273-L292 VanDerWaalsContact NH1-CD2 3.3Å; S289-L292 PolarHBondContact O-N 3.05Å; D290-L292 PolarHBondContact O-N 3.24Å
293	A	97.6	Very high	96.7	Very high	22 Å²	22	42.8 Å²	42.8	18%	0.182	24%	0.235	C	C	.	.			trans	-86.6	138.2	-176.9	0	0	0	0	0	111.1	I279 I281 S289 D290 L295	I279-A293 HydrophobicContact CG2-CB 4.22Å; I279-A293 CarbonylContact O-C 3.58Å; I279-A293 WeakPolarHBondContact O-CA 3.19Å; I281-A293 HydrophobicContact CD1-CB 3.68Å; I281-A293 HydrophobicContact CG1-CB 3.8Å; S289-A293 PolarHBondContact O-N 3.31Å; D290-A293 PolarHBondContact O-N 3.27Å; A293-L295 VanDerWaalsContact C-N 3.3Å
294	C	97.8	Very high	96.7	Very high	90 Å²	90	41.9 Å²	41.9	61%	0.608	23%	0.23	S	C	*	.	S	Bend	trans	-83	-13.2	167.8	63.3	0	0	0	0	112.1	I279	I279-C294 PolarHBondContact O-N 2.91Å; I279-C294 PolarHBondContact O-SG 3.13Å
295	L	98.1	Very high	96.8	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.126	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	126.8	177.3	178.8	60.2	0	0	0	110.3	E43 L44 F47 I279 A280 I281 A293 L297	E43-L295 HydrophobicContact CB-CD1 3.83Å; E43-L295 HydrophobicContact CB-CD2 4.16Å; E43-L295 HydrophobicContact CG-CD1 4.44Å; E43-L295 WeakPolarHBondContact OE2-CD1 3.16Å; L44-L295 HydrophobicContact CD1-CD2 4.44Å; F47-L295 HydrophobicContact CB-CD2 4.01Å; F47-L295 HydrophobicContact CG-CD2 4.45Å; I279-L295 PolarHBondContact O-N 2.71Å; A280-L295 CarbonylContact C-O 3.53Å; A280-L295 VanDerWaalsContact CA-O 3.3Å; A280-L295 WeakPolarHBondContact CA-O 3.18Å; A280-L295 HydrophobicContact CB-CB 4.11Å; A280-L295 HydrophobicContact CB-CD2 4.27Å; A280-L295 HydrophobicContact CB-CG 4.46Å; I281-L295 PolarHBondContact N-O 3.24Å; A293-L295 VanDerWaalsContact C-N 3.3Å; L295-L297 HydrophobicContact CD1-CD2 3.94Å; L295-L297 HydrophobicContact CD1-CG 4.21Å; L295-L297 HydrophobicContact CD2-CD1 4.07Å; L295-L297 HydrophobicContact CD2-CD2 4.44Å; L295-L297 HydrophobicContact CD2-CG 4.33Å; L295-L297 HydrophobicContact CG-CD1 4.25Å; L295-L297 HydrophobicContact CG-CD2 4.24Å; L295-L297 HydrophobicContact CG-CG 4.02Å
296	K	97.5	Very high	97.1	Very high	48 Å²	48	42.1 Å²	42.1	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.8	174.3	174.8	64.1	-176.1	-135.2	0	109.7	I281 N283 G285 D290 D298	I281-K296 HydrophobicContact CB-CD 3.71Å; I281-K296 HydrophobicContact CG2-CD 3.61Å; I281-K296 CarbonylContact O-C 3.54Å; I281-K296 WeakPolarHBondContact O-CA 3.5Å; N283-K296 WeakPolarHBondContact O-CE 3.47Å; G285-K296 PolarHBondContact O-NZ 2.94Å; D290-K296 IonicContact OD1-NZ 3.88Å; D290-K296 PolarHBondContact OD1-NZ 3.4Å; D290-K296 IonicContact OD2-NZ 2.86Å; K296-D298 WeakPolarHBondContact CE-OD1 3.48Å
297	L	97.4	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	102.6	-175.2	-56.8	159.8	0	0	0	108.8	K40 L44 I281 L282 N283 L295 S299	K40-L297 HydrophobicContact CB-CD2 3.61Å; K40-L297 HydrophobicContact CD-CD2 4.22Å; K40-L297 HydrophobicContact CG-CD2 3.79Å; K40-L297 WeakPolarHBondContact O-CD2 3.13Å; L44-L297 HydrophobicContact CB-CD1 3.68Å; L44-L297 HydrophobicContact CD1-CD1 3.8Å; L44-L297 HydrophobicContact CD2-CD1 3.94Å; L44-L297 HydrophobicContact CG-CD1 3.99Å; I281-L297 PolarHBondContact O-N 3.06Å; L282-L297 HydrophobicContact CD1-CB 3.85Å; N283-L297 PolarHBondContact N-O 3.21Å; L295-L297 HydrophobicContact CD1-CD2 3.94Å; L295-L297 HydrophobicContact CD1-CG 4.21Å; L295-L297 HydrophobicContact CD2-CD1 4.07Å; L295-L297 HydrophobicContact CD2-CD2 4.44Å; L295-L297 HydrophobicContact CD2-CG 4.33Å; L295-L297 HydrophobicContact CG-CD1 4.25Å; L295-L297 HydrophobicContact CG-CD2 4.24Å; L295-L297 HydrophobicContact CG-CG 4.02Å; L297-S299 PolarHBondContact O-N 3.37Å; L297-S299 VanDerWaalsContact O-N 3.13Å
298	D	95.4	Very high	97.2	Very high	58 Å²	58	41.2 Å²	41.2	31%	0.31	22%	0.218	S	C	.	.			trans	-81.3	90.9	172.1	-42.1	-54.3	0	0	0	108.5	P34 K40 N283 K296	P34-D298 HydrophobicContact CG-CB 4.43Å; P34-D298 VanDerWaalsContact CG-O 3.28Å; P34-D298 WeakPolarHBondContact CG-O 3.3Å; K40-D298 PolarHBondContact NZ-O 3.25Å; K40-D298 IonicContact NZ-OD2 3.82Å; N283-D298 WeakPolarHBondContact O-CA 3.41Å; K296-D298 WeakPolarHBondContact CE-OD1 3.48Å
299	S	95.8	Very high	97.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	22%	0.222	C	C	.	.	S	Bend	trans	-157.8	161.1	-178.7	-171.8	0	0	0	0	111	I284 L297 C301	I284-S299 WeakPolarHBondContact CG1-O 3.41Å; L297-S299 PolarHBondContact O-N 3.37Å; L297-S299 VanDerWaalsContact O-N 3.13Å; S299-C301 PolarHBondContact O-N 3.21Å
300	R	96.1	Very high	97	Very high	65 Å²	65	41 Å²	41	25%	0.245	23%	0.225	C	C	.	.			trans	-71.3	123	173.9	-66.9	179.2	61	-176.7	4.8	110	V30 E65 I284 G302 E303 L304	V30-R300 HydrophobicContact CG1-CG 4.16Å; E65-R300 IonicContact OE2-CZ 3.21Å; E65-R300 IonicContact OE2-NE 3.46Å; E65-R300 PolarHBondContact OE2-NE 3.42Å; E65-R300 IonicContact OE2-NH2 3.02Å; E65-R300 PolarHBondContact OE2-NH2 3.3Å; I284-R300 HydrophobicContact CD1-CG 3.96Å; R300-G302 VanDerWaalsContact C-N 3.28Å; R300-G302 PolarHBondContact O-N 3.13Å; R300-E303 HydrophobicContact CB-CB 4.29Å; R300-E303 HydrophobicContact CB-CG 4.14Å; R300-E303 VanDerWaalsContact CD-OE1 3.31Å; R300-E303 WeakPolarHBondContact CD-OE1 3.5Å; R300-E303 IonicContact CZ-OE1 3.21Å; R300-E303 IonicContact NE-OE1 2.79Å; R300-E303 PolarHBondContact NE-OE1 3.39Å; R300-E303 IonicContact NH1-OE1 2.78Å; R300-E303 PolarHBondContact NH1-OE1 3.11Å; R300-E303 PolarHBondContact O-N 3.08Å; R300-E303 VanDerWaalsContact O-N 3.13Å; R300-L304 PolarHBondContact O-N 2.87Å
301	C	97.4	Very high	96.4	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-30.6	-175.8	53.7	0	0	0	0	113.9	E65 A121 V256 L282 S299 E303 L304 L305	E65-C301 PolarHBondContact OE1-SG 2.79Å; A121-C301 HydrophobicContact CB-CB 4.09Å; V256-C301 HydrophobicContact CG1-CB 3.56Å; L282-C301 HydrophobicContact CD2-CB 3.9Å; L282-C301 HydrophobicContact CG-CB 4.17Å; S299-C301 PolarHBondContact O-N 3.21Å; C301-E303 VanDerWaalsContact C-N 3.29Å; C301-E303 PolarHBondContact O-N 2.84Å; C301-L304 PolarHBondContact O-N 3.21Å; C301-L305 HydrophobicContact CB-CD1 4.34Å; C301-L305 WeakPolarHBondContact O-CB 3.41Å; C301-L305 WeakPolarHBondContact O-CG 3.47Å; C301-L305 PolarHBondContact O-N 3.44Å
302	G	97.1	Very high	96.4	Very high	8 Å²	8	42.7 Å²	42.7	8%	0.082	23%	0.228	C	C	.	.	H	α-helix	trans	-73.1	-18.5	176.7	0	0	0	0	0	113.9	E65 P120 R300 P306	E65-G302 VanDerWaalsContact OE1-CA 3.28Å; E65-G302 WeakPolarHBondContact OE1-CA 3.12Å; E65-G302 PolarHBondContact OE1-N 3.25Å; P120-G302 WeakPolarHBondContact CB-O 3.38Å; R300-G302 VanDerWaalsContact C-N 3.28Å; R300-G302 PolarHBondContact O-N 3.13Å; G302-P306 WeakPolarHBondContact O-CD 3.24Å; G302-P306 WeakPolarHBondContact O-CG 3.48Å
303	E	96.2	Very high	96.3	Very high	72 Å²	72	43.7 Å²	43.7	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-91.3	-41.5	170.3	-63.3	176.7	-167.4	0	0	110.4	R300 C301 L307	R300-E303 HydrophobicContact CB-CB 4.29Å; R300-E303 HydrophobicContact CB-CG 4.14Å; R300-E303 VanDerWaalsContact CD-OE1 3.31Å; R300-E303 WeakPolarHBondContact CD-OE1 3.5Å; R300-E303 IonicContact CZ-OE1 3.21Å; R300-E303 IonicContact NE-OE1 2.79Å; R300-E303 PolarHBondContact NE-OE1 3.39Å; R300-E303 IonicContact NH1-OE1 2.78Å; R300-E303 PolarHBondContact NH1-OE1 3.11Å; R300-E303 PolarHBondContact O-N 3.08Å; R300-E303 VanDerWaalsContact O-N 3.13Å; C301-E303 VanDerWaalsContact C-N 3.29Å; C301-E303 PolarHBondContact O-N 2.84Å; E303-L307 WeakPolarHBondContact O-CD1 3.44Å; E303-L307 WeakPolarHBondContact O-CG 3.25Å
304	L	97.7	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-52.7	-76.3	176.1	157.4	-80.7	0	0	0	114.1	L36 I41 L44 L282 R300 C301 P306 L307 I308	L36-L304 HydrophobicContact CD1-CB 3.46Å; L36-L304 VanDerWaalsContact CD1-CB 3.46Å; L36-L304 HydrophobicContact CD1-CD1 4.47Å; L36-L304 HydrophobicContact CD1-CG 4.02Å; I41-L304 HydrophobicContact CG1-CG 4.28Å; L44-L304 HydrophobicContact CB-CD2 4.22Å; L44-L304 HydrophobicContact CD2-CD2 3.32Å; L44-L304 HydrophobicContact CG-CD2 4.34Å; L282-L304 HydrophobicContact CD1-CD1 3.56Å; L282-L304 HydrophobicContact CD2-CD1 4.32Å; R300-L304 PolarHBondContact O-N 2.87Å; C301-L304 PolarHBondContact O-N 3.21Å; L304-P306 VanDerWaalsContact C-CD 3.44Å; L304-L307 PolarHBondContact O-N 3.18Å; L304-L307 VanDerWaalsContact O-N 3.15Å; L304-I308 HydrophobicContact CD2-CD1 3.88Å; L304-I308 HydrophobicContact CD2-CG1 3.92Å
305	L	98.3	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-61.6	-35.2	-163	-62.6	178.2	0	0	0	115.2	L44 A121 A124 L125 W128 L254 V256 L282 C301 L307 I308	L44-L305 HydrophobicContact CD2-CD2 4.12Å; A121-L305 HydrophobicContact CB-CD1 3.91Å; A124-L305 HydrophobicContact CB-CB 3.78Å; L125-L305 HydrophobicContact CD1-CD1 4.25Å; L125-L305 HydrophobicContact CD2-CD1 4.27Å; L125-L305 HydrophobicContact CG-CD1 4.06Å; W128-L305 HydrophobicContact CH2-CD2 3.71Å; W128-L305 HydrophobicContact CZ2-CB 4.47Å; W128-L305 HydrophobicContact CZ2-CD2 4.09Å; L254-L305 HydrophobicContact CD2-CD2 4.4Å; V256-L305 HydrophobicContact CG1-CD1 4.13Å; V256-L305 HydrophobicContact CG2-CD1 4.41Å; L282-L305 HydrophobicContact CD2-CD1 4.41Å; L282-L305 HydrophobicContact CD2-CD2 3.53Å; L282-L305 HydrophobicContact CD2-CG 3.72Å; C301-L305 HydrophobicContact CB-CD1 4.34Å; C301-L305 WeakPolarHBondContact O-CB 3.41Å; C301-L305 WeakPolarHBondContact O-CG 3.47Å; C301-L305 PolarHBondContact O-N 3.44Å; L305-L307 PolarHBondContact O-N 3.01Å; L305-I308 PolarHBondContact O-N 2.92Å
306	P	98.3	Very high	96.1	Very high	66 Å²	66	43.4 Å²	43.4	43%	0.429	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-64	-18	178.2	-24.5	36.2	0	0	0	114.7	P120 A124 G302 L304	P120-P306 HydrophobicContact CB-CG 3.66Å; A124-P306 HydrophobicContact CB-CG 4.48Å; G302-P306 WeakPolarHBondContact O-CD 3.24Å; G302-P306 WeakPolarHBondContact O-CG 3.48Å; L304-P306 VanDerWaalsContact C-CD 3.44Å
307	L	98.1	Very high	96	Very high	93 Å²	93	43.1 Å²	43.1	49%	0.487	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-90	-4.8	-177.8	-58.1	177.1	0	0	0	113.4	L36 I41 E303 L304 L305	L36-L307 HydrophobicContact CD2-CD1 3.53Å; I41-L307 HydrophobicContact CD1-CD1 3.79Å; I41-L307 HydrophobicContact CG1-CD1 4.5Å; I41-L307 HydrophobicContact CG2-CB 4.32Å; E303-L307 WeakPolarHBondContact O-CD1 3.44Å; E303-L307 WeakPolarHBondContact O-CG 3.25Å; L304-L307 PolarHBondContact O-N 3.18Å; L304-L307 VanDerWaalsContact O-N 3.15Å; L305-L307 PolarHBondContact O-N 3.01Å
308	I	98.3	Very high	95.8	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.036	24%	0.237	C	C	.	.			trans	-95.1	127.3	-179.6	-55.4	-57.6	0	0	0	109.4	I41 L44 Q45 I48 W128 L304 L305 P310	I41-I308 HydrophobicContact CG2-CD1 3.99Å; L44-I308 HydrophobicContact CB-CD1 3.96Å; L44-I308 HydrophobicContact CD2-CD1 4.18Å; L44-I308 HydrophobicContact CD2-CG1 3.89Å; L44-I308 HydrophobicContact CG-CD1 4.11Å; L44-I308 HydrophobicContact CG-CG1 4.16Å; Q45-I308 HydrophobicContact CB-CD1 4.16Å; I48-I308 HydrophobicContact CB-CG2 4.02Å; I48-I308 HydrophobicContact CG1-CG2 4.06Å; I48-I308 HydrophobicContact CG2-CG2 3.98Å; W128-I308 HydrophobicContact CH2-CB 4.33Å; W128-I308 HydrophobicContact CH2-CG2 4.12Å; W128-I308 HydrophobicContact CZ2-CB 3.66Å; W128-I308 HydrophobicContact CZ2-CG1 4.28Å; W128-I308 HydrophobicContact CZ2-CG2 3.74Å; L304-I308 HydrophobicContact CD2-CD1 3.88Å; L304-I308 HydrophobicContact CD2-CG1 3.92Å; L305-I308 PolarHBondContact O-N 2.92Å; I308-P310 WeakPolarHBondContact O-CD 3.38Å
309	D	96.3	Very high	95.9	Very high	89 Å²	89	45.2 Å²	45.2	48%	0.476	23%	0.231	S	C	.	.			trans	-80.8	117.5	168.9	-168.7	-11.2	0	0	0	109.4	Q45 Q311	Q45-D309 PolarHBondContact NE2-O 3.14Å; D309-Q311 VanDerWaalsContact C-N 3.33Å; D309-Q311 PolarHBondContact OD1-N 3.47Å; D309-Q311 VanDerWaalsContact OD1-N 3.11Å
310	P	91.6	Very high	95.9	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.052	25%	0.249	C	C	.	.			trans	-80.1	-8.8	-179	33.6	-37.9	0	0	0	114.6	W128 L131 K133 I308	W128-P310 HydrophobicContact CB-CB 4.11Å; W128-P310 VanDerWaalsContact CD1-CB 3.5Å; W128-P310 VanDerWaalsContact CD1-CG 3.46Å; W128-P310 HydrophobicContact CD2-CB 4.06Å; W128-P310 HydrophobicContact CG-CB 3.62Å; W128-P310 HydrophobicContact CG-CG 4.04Å; L131-P310 HydrophobicContact CB-CG 4.29Å; L131-P310 HydrophobicContact CD1-CG 3.46Å; L131-P310 VanDerWaalsContact CD1-CG 3.46Å; L131-P310 HydrophobicContact CG-CG 4.49Å; K133-P310 HydrophobicContact CB-CB 3.82Å; K133-P310 WeakPolarHBondContact CD-O 3.45Å; K133-P310 WeakPolarHBondContact CE-O 3.35Å; K133-P310 HydrophobicContact CG-CB 3.86Å; K133-P310 WeakPolarHBondContact CG-O 3.48Å; K133-P310 PolarHBondContact NZ-O 3.49Å; I308-P310 WeakPolarHBondContact O-CD 3.38Å
311	Q	85.3	Confident	95.9	Very high	171 Å²	171	47.4 Å²	47.4	80%	0.799	25%	0.25	S	C	*	.			trans	-77.2	0	-178.7	-67.6	-165.7	-22.1	0	0	113.5	L131 D309	L131-Q311 HydrophobicContact CD1-CG 4.48Å; D309-Q311 VanDerWaalsContact C-N 3.33Å; D309-Q311 PolarHBondContact OD1-N 3.47Å; D309-Q311 VanDerWaalsContact OD1-N 3.11Å

Retrieved 311 of 311 residues in 88.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).