A0A096M3R7_POEFO Loading...

NAD-dependent protein deacylase sirtuin-5, mitochondrial

NAD-dependent lysine demalonylase, desuccinylase and deglutarylase that specifically removes malonyl, succinyl and glutaryl groups on target proteins. Has weak NAD-dependent protein deacetylase activity; however this activity may not be physiologically relevant in vivo.

AlphaFold DB , UniProt , Accession A0A096M3R7, Species POEFO (Poecilia formosa, Amazon molly), Gene SIRT5, Length 306 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.2	Very low	29	Very low	228 Å²	228	143.4 Å²	143.4	100%	1.123	83%	0.829	S	S	*	*				0	120.8	0	-113.5	171.6	75.8	0	0	108
2	I	27.4	Very low	29	Very low	145 Å²	145	142.8 Å²	142.8	74%	0.744	82%	0.82	S	S	*	*			trans	49	112.2	149.7	-58.3	174.7	0	0	0	118.8
3	V	31.6	Very low	29.2	Very low	122 Å²	122	139.3 Å²	139.3	74%	0.739	80%	0.803	S	S	*	*			trans	43.4	122.7	137.1	-170.8	0	0	0	0	118.7
4	H	24.9	Very low	29.2	Very low	178 Å²	178	141.5 Å²	141.5	82%	0.824	80%	0.802	S	S	*	*			trans	-143.5	135.5	141.8	-106.6	23.4	0	0	0	114.2
5	C	27.3	Very low	29.2	Very low	104 Å²	104	143.3 Å²	143.3	70%	0.703	81%	0.808	S	S	*	*			trans	-62.6	143	169.2	-174.4	0	0	0	0	110.3
6	F	27.6	Very low	29.1	Very low	201 Å²	201	149.4 Å²	149.4	88%	0.882	82%	0.816	S	S	*	*			trans	-124.9	112.9	166	-93.1	-82.7	0	0	0	110.5
7	T	30.1	Very low	29.2	Very low	121 Å²	121	146 Å²	146	74%	0.742	81%	0.813	S	S	*	*			trans	-101.5	142.8	159.8	39.2	0	0	0	0	110
8	C	29.8	Very low	29.3	Very low	135 Å²	135	148.2 Å²	148.2	91%	0.912	82%	0.816	S	S	*	*			trans	65.8	124.4	153.5	-141.4	0	0	0	0	120.3
9	G	26.3	Very low	29.5	Very low	72 Å²	72	149.5 Å²	149.5	74%	0.742	82%	0.82	S	S	*	*			trans	-165.1	90.6	163.5	0	0	0	0	0	110.6
10	A	31.3	Very low	29.7	Very low	100 Å²	100	154.5 Å²	154.5	83%	0.826	83%	0.826	S	S	*	*			trans	-67.9	128.9	167.5	0	0	0	0	0	109.9
11	I	34.1	Very low	29.6	Very low	171 Å²	171	155.6 Å²	155.6	88%	0.877	82%	0.824	S	S	*	*			trans	-130.4	139.1	160.7	-59.8	-179.6	0	0	0	108.3
12	N	28.5	Very low	30	Very low	136 Å²	136	150.9 Å²	150.9	73%	0.727	81%	0.808	S	S	*	*			trans	-88.1	148.6	-158.6	-146.4	8.2	0	0	0	112.4
13	T	31.1	Very low	30	Very low	98 Å²	98	155.7 Å²	155.7	60%	0.601	82%	0.817	S	S	*	*			trans	64.6	139.8	138	48.6	0	0	0	0	123.3
14	H	29.3	Very low	29.8	Very low	170 Å²	170	153.6 Å²	153.6	79%	0.787	82%	0.82	S	S	*	*			trans	95.9	25.5	146.9	-68.3	-55.3	0	0	0	122.8
15	L	29	Very low	30.3	Very low	169 Å²	169	152.8 Å²	152.8	89%	0.885	82%	0.82	S	S	*	*	S	Bend	trans	-137.1	23.6	169.4	-116.8	108.8	0	0	0	118.1
16	Y	28.4	Very low	30.4	Very low	240 Å²	240	156.2 Å²	156.2	94%	0.941	83%	0.826	S	S	*	*	S	Bend	trans	-128.2	20	175.1	-97.6	-84.2	0	0	0	114.7
17	A	30.7	Very low	30.8	Very low	92 Å²	92	151.3 Å²	151.3	76%	0.76	82%	0.822	S	S	*	*	S	Bend	trans	-123.3	58.1	-178.9	0	0	0	0	0	111.5
18	Q	31.3	Very low	31.2	Very low	186 Å²	186	153.9 Å²	153.9	87%	0.869	83%	0.828	S	S	*	*			trans	-173.7	89.2	158.1	-107.1	166	21.1	0	0	109.5
19	L	32.4	Very low	31.6	Very low	172 Å²	172	151.9 Å²	151.9	90%	0.901	82%	0.821	S	S	*	*			trans	-171.4	50.6	147.6	-95.9	166.6	0	0	0	108
20	R	33.4	Very low	32.8	Very low	249 Å²	249	154.5 Å²	154.5	94%	0.94	81%	0.809	S	S	*	*			trans	-90.4	88.6	159.9	-83.7	-174.2	174.9	-177.7	-0.2	107.4
21	K	28.6	Very low	33.4	Very low	179 Å²	179	153.2 Å²	153.2	78%	0.778	79%	0.792	S	S	*	*			trans	-124.9	96.6	162.7	-90.8	-175.1	176.5	179	0	109.3
22	T	36.2	Very low	34.2	Very low	128 Å²	128	149 Å²	149	79%	0.785	78%	0.778	S	S	*	*			trans	41.5	81.9	136.8	57.1	0	0	0	0	117.1
23	W	27.7	Very low	35.6	Very low	246 Å²	246	147.4 Å²	147.4	93%	0.932	78%	0.777	S	S	*	*			trans	-118.5	100.5	139.7	-83.3	56.8	0	0	0	106.2	I25	W23-I25 PolarHBondContact O-N 3.05Å
24	G	27.5	Very low	37	Very low	78 Å²	78	145.3 Å²	145.3	80%	0.804	78%	0.775	S	S	*	*			trans	-63.4	106.2	168.1	0	0	0	0	0	107.5	Q26	G24-Q26 VanDerWaalsContact C-N 3.26Å; G24-Q26 PolarHBondContact O-N 2.96Å
25	I	36.4	Very low	38.8	Very low	162 Å²	162	139.7 Å²	139.7	83%	0.831	76%	0.755	S	S	*	*			trans	-69.2	96.8	164.8	-60.1	172.7	0	0	0	104.6	W23 A27	W23-I25 PolarHBondContact O-N 3.05Å; I25-A27 PolarHBondContact O-N 3.03Å
26	Q	29.1	Very low	41.5	Very low	176 Å²	176	133 Å²	133	82%	0.822	72%	0.72	S	S	*	*			trans	-58.3	110.3	163.4	-118.9	170.5	-12.9	0	0	105.7	G24 M28	G24-Q26 VanDerWaalsContact C-N 3.26Å; G24-Q26 PolarHBondContact O-N 2.96Å; Q26-M28 VanDerWaalsContact C-N 3.26Å; Q26-M28 PolarHBondContact O-N 2.84Å
27	A	36	Very low	44.6	Very low	97 Å²	97	124.1 Å²	124.1	80%	0.802	69%	0.688	S	S	*	*			trans	-58.6	98.8	164.4	0	0	0	0	0	106.2	I25 A29	I25-A27 PolarHBondContact O-N 3.03Å; A27-A29 PolarHBondContact O-N 3.16Å; A27-A29 VanDerWaalsContact O-N 3.16Å
28	M	37.6	Very low	47.7	Very low	175 Å²	175	122.6 Å²	122.6	86%	0.862	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-62.5	119.5	172.5	-73.9	-164.5	-93.5	0	0	106.4	Q26 R30	Q26-M28 VanDerWaalsContact C-N 3.26Å; Q26-M28 PolarHBondContact O-N 2.84Å; M28-R30 PolarHBondContact O-N 3.16Å; M28-R30 VanDerWaalsContact O-N 3.16Å
29	A	38.7	Very low	50.8	Low	93 Å²	93	115.9 Å²	115.9	77%	0.769	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-54.2	122.4	174.1	0	0	0	0	0	108.2	A27	A27-A29 PolarHBondContact O-N 3.16Å; A27-A29 VanDerWaalsContact O-N 3.16Å
30	R	51.8	Low	53.9	Low	128 Å²	128	107.7 Å²	107.7	48%	0.483	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-59.1	129.8	173.8	-77.3	-175.1	178.1	172.1	3.7	108.1	M28 E280	M28-R30 PolarHBondContact O-N 3.16Å; M28-R30 VanDerWaalsContact O-N 3.16Å; R30-E280 IonicContact CZ-OE1 3.33Å; R30-E280 IonicContact NH2-OE1 2.68Å; R30-E280 PolarHBondContact NH2-OE1 3.39Å; R30-E280 IonicContact NH2-OE2 3.44Å; R30-E280 PolarHBondContact NH2-OE2 3.37Å
31	P	42.7	Very low	57	Low	72 Å²	72	97.3 Å²	97.3	47%	0.468	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-58.1	161.8	175.8	-19.1	31.4	0	0	0	111.2	S35 D36	P31-S35 WeakPolarHBondContact CB-OG 3.44Å; P31-D36 WeakPolarHBondContact CB-OD1 3.25Å; P31-D36 WeakPolarHBondContact CG-OD1 3.33Å
32	S	50.8	Low	60.2	Low	84 Å²	84	92.9 Å²	92.9	59%	0.587	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-62.4	145.8	174.1	63.5	0	0	0	0	110	G34 S35 D36	S32-G34 PolarHBondContact O-N 3.1Å; S32-S35 PolarHBondContact N-OG 3.34Å; S32-S35 PolarHBondContact O-N 3.19Å; S32-S35 PolarHBondContact O-OG 3.38Å; S32-S35 PolarHBondContact OG-OG 3Å; S32-D36 PolarHBondContact O-N 2.94Å
33	S	59.3	Low	63.2	Low	102 Å²	102	88.6 Å²	88.6	71%	0.713	52%	0.524	S	S	*	.	H	α-helix	trans	-51.6	-29.8	-176.2	54.5	0	0	0	0	114.4	L37	S33-L37 PolarHBondContact O-N 3.33Å
34	G	59.6	Low	66.6	Low	53 Å²	53	76.9 Å²	76.9	55%	0.546	48%	0.479	S	S	.	.	H	α-helix	trans	-71.4	-35.2	175.2	0	0	0	0	0	114.4	S32 A38	S32-G34 PolarHBondContact O-N 3.1Å; G34-A38 PolarHBondContact O-N 2.91Å
35	S	66.8	Low	69.9	Low	53 Å²	53	73.8 Å²	73.8	37%	0.371	45%	0.446	S	S	.	.	H	α-helix	trans	-73.8	-33.1	177.4	60.6	0	0	0	0	112.8	P31 S32 A39	P31-S35 WeakPolarHBondContact CB-OG 3.44Å; S32-S35 PolarHBondContact N-OG 3.34Å; S32-S35 PolarHBondContact O-N 3.19Å; S32-S35 PolarHBondContact O-OG 3.38Å; S32-S35 PolarHBondContact OG-OG 3Å; S35-A39 PolarHBondContact O-N 3.04Å
36	D	86.1	Confident	72.8	Confident	29 Å²	29	72.7 Å²	72.7	16%	0.155	44%	0.435	C	S	.	.	H	α-helix	trans	-70	-36.9	176.1	-76.9	-17.9	0	0	0	112.3	P31 S32 A39 F40 F284 F286	P31-D36 WeakPolarHBondContact CB-OD1 3.25Å; P31-D36 WeakPolarHBondContact CG-OD1 3.33Å; S32-D36 PolarHBondContact O-N 2.94Å; D36-A39 PolarHBondContact O-N 3.45Å; D36-F40 WeakPolarHBondContact O-CB 3.42Å; D36-F40 PolarHBondContact O-N 3.04Å; D36-F284 HydrophobicContact CB-CD1 4.4Å; D36-F286 HydrophobicContact CB-CE1 4.14Å
37	L	93.9	Very high	76.1	Confident	53 Å²	53	64.6 Å²	64.6	28%	0.277	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-45.8	176.5	-177.1	61.5	0	0	0	111.2	S33 A39 F40 R41 F286 A297	S33-L37 PolarHBondContact O-N 3.33Å; L37-A39 PolarHBondContact O-N 3.07Å; L37-F40 HydrophobicContact CD1-CD1 4.37Å; L37-F40 PolarHBondContact O-N 2.91Å; L37-R41 HydrophobicContact CD1-CG 4.14Å; L37-R41 HydrophobicContact CG-CG 4.22Å; L37-R41 WeakPolarHBondContact O-CB 3.43Å; L37-R41 WeakPolarHBondContact O-CG 3.04Å; L37-R41 PolarHBondContact O-N 3.31Å; L37-F286 HydrophobicContact CB-CE1 4.11Å; L37-F286 HydrophobicContact CD1-CE1 4.27Å; L37-F286 HydrophobicContact CD1-CZ 4.36Å; L37-A297 HydrophobicContact CD1-CB 4.13Å
38	A	95.1	Very high	79.1	Confident	59 Å²	59	64 Å²	64	49%	0.488	38%	0.381	S	S	.	.	H	α-helix	trans	-59.7	-45.5	177.4	0	0	0	0	0	111.9	G34 F40 R41 E42	G34-A38 PolarHBondContact O-N 2.91Å; A38-F40 PolarHBondContact O-N 3.06Å; A38-R41 PolarHBondContact O-N 3.41Å; A38-E42 PolarHBondContact O-N 2.73Å
39	A	96.7	Very high	82	Confident	45 Å²	45	58.6 Å²	58.6	37%	0.372	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-38.5	177	0	0	0	0	0	112.9	S35 D36 L37 I43 F284	S35-A39 PolarHBondContact O-N 3.04Å; D36-A39 PolarHBondContact O-N 3.45Å; L37-A39 PolarHBondContact O-N 3.07Å; A39-I43 PolarHBondContact O-N 3.44Å; A39-F284 HydrophobicContact CB-CE1 3.94Å; A39-F284 HydrophobicContact CB-CZ 4.28Å
40	F	98	Very high	84.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-44.8	172.3	167.5	-93.8	0	0	0	111.7	D36 L37 A38 E42 I43 F44 L241 L243 A269 F271 F284 F286 A297	D36-F40 WeakPolarHBondContact O-CB 3.42Å; D36-F40 PolarHBondContact O-N 3.04Å; L37-F40 HydrophobicContact CD1-CD1 4.37Å; L37-F40 PolarHBondContact O-N 2.91Å; A38-F40 PolarHBondContact O-N 3.06Å; F40-E42 VanDerWaalsContact C-N 3.3Å; F40-E42 PolarHBondContact O-N 2.7Å; F40-I43 PolarHBondContact O-N 3.22Å; F40-F44 HydrophobicContact CE1-CB 4.06Å; F40-F44 HydrophobicContact CE1-CG 4.47Å; F40-F44 HydrophobicContact CZ-CB 4.24Å; F40-F44 HydrophobicContact CZ-CD2 4.48Å; F40-F44 WeakPolarHBondContact O-CB 3.23Å; F40-F44 PolarHBondContact O-N 2.89Å; F40-L241 HydrophobicContact CE2-CD1 4.15Å; F40-L241 HydrophobicContact CE2-CD2 4.27Å; F40-L241 HydrophobicContact CZ-CD2 4.46Å; F40-L243 HydrophobicContact CE2-CD1 4.41Å; F40-L243 HydrophobicContact CE2-CG 4.49Å; F40-L243 HydrophobicContact CZ-CD1 4.41Å; F40-L243 HydrophobicContact CZ-CD2 4.3Å; F40-L243 HydrophobicContact CZ-CG 4.44Å; F40-A269 HydrophobicContact CD2-CB 3.69Å; F40-A269 HydrophobicContact CE2-CB 3.56Å; F40-F271 HydrophobicContact CE1-CZ 4.47Å; F40-F271 HydrophobicContact CZ-CZ 4.22Å; F40-F284 HydrophobicContact CB-CD1 4.33Å; F40-F284 HydrophobicContact CB-CD2 4.29Å; F40-F284 HydrophobicContact CB-CE1 4.25Å; F40-F284 HydrophobicContact CB-CE2 4.2Å; F40-F284 HydrophobicContact CB-CG 4.34Å; F40-F284 HydrophobicContact CB-CZ 4.17Å; F40-F284 HydrophobicContact CD2-CD2 4.06Å; F40-F284 HydrophobicContact CD2-CE2 4.3Å; F40-F286 HydrophobicContact CB-CE2 4.06Å; F40-F286 HydrophobicContact CB-CZ 3.65Å; F40-F286 HydrophobicContact CD1-CE2 4.4Å; F40-F286 HydrophobicContact CD1-CZ 4.45Å; F40-F286 HydrophobicContact CD2-CE2 4.08Å; F40-F286 AromaticContact CG-CE2 3.9Å; F40-F286 HydrophobicContact CG-CE2 3.9Å; F40-F286 AromaticContact CG-CZ 3.96Å; F40-F286 HydrophobicContact CG-CZ 3.96Å; F40-A297 HydrophobicContact CD1-CB 4.26Å; F40-A297 HydrophobicContact CE1-CB 3.72Å; F40-A297 WeakPolarHBondContact CE1-O 3.39Å; F40-A297 HydrophobicContact CZ-CB 4.48Å
41	R	97.9	Very high	87.1	Confident	31 Å²	31	48.3 Å²	48.3	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-37.4	-178.6	-71.7	-71.4	-59.5	159.6	-2.4	112.4	L37 A38 I43 F44 S45 A297 A299 R300 H301	L37-R41 HydrophobicContact CD1-CG 4.14Å; L37-R41 HydrophobicContact CG-CG 4.22Å; L37-R41 WeakPolarHBondContact O-CB 3.43Å; L37-R41 WeakPolarHBondContact O-CG 3.04Å; L37-R41 PolarHBondContact O-N 3.31Å; A38-R41 PolarHBondContact O-N 3.41Å; R41-I43 VanDerWaalsContact C-N 3.33Å; R41-I43 PolarHBondContact O-N 3.46Å; R41-F44 VanDerWaalsContact NH1-CE1 3.29Å; R41-F44 PolarHBondContact O-N 3.37Å; R41-S45 WeakPolarHBondContact O-CB 3.33Å; R41-S45 PolarHBondContact O-N 3.3Å; R41-S45 PolarHBondContact O-OG 3.14Å; R41-A297 VanDerWaalsContact CD-O 3.24Å; R41-A297 WeakPolarHBondContact CD-O 3.44Å; R41-A297 PolarHBondContact NH1-O 3.28Å; R41-A299 PolarHBondContact NH1-O 3.24Å; R41-A299 PolarHBondContact NH2-O 2.69Å; R41-R300 VanDerWaalsContact NH2-C 3.32Å; R41-R300 PolarHBondContact NH2-O 3.46Å; R41-H301 VanDerWaalsContact NH2-N 3.16Å
42	E	97	Very high	89.7	Confident	87 Å²	87	45 Å²	45	41%	0.407	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-34.3	173	-81.5	-60	137.3	0	0	114	A38 F40 S45 K46 H301	A38-E42 PolarHBondContact O-N 2.73Å; F40-E42 VanDerWaalsContact C-N 3.3Å; F40-E42 PolarHBondContact O-N 2.7Å; E42-S45 PolarHBondContact O-OG 2.8Å; E42-K46 WeakPolarHBondContact O-CD 3.31Å; E42-K46 IonicContact OE2-NZ 2.91Å; E42-K46 PolarHBondContact OE2-NZ 3.25Å; E42-H301 IonicContact OE1-NE2 3.89Å
43	I	98.1	Very high	92	Very high	37 Å²	37	41.1 Å²	41.1	19%	0.19	25%	0.248	C	C	.	.	H	α-helix	trans	-76.4	-47.3	174.8	-67.5	169.7	0	0	0	109.3	A39 F40 R41 S45 K46 S47 L241 P267 K283 F284	A39-I43 PolarHBondContact O-N 3.44Å; F40-I43 PolarHBondContact O-N 3.22Å; R41-I43 VanDerWaalsContact C-N 3.33Å; R41-I43 PolarHBondContact O-N 3.46Å; I43-S45 VanDerWaalsContact C-N 3.26Å; I43-S45 PolarHBondContact O-N 3.33Å; I43-K46 PolarHBondContact O-N 3.23Å; I43-K46 VanDerWaalsContact O-N 3.08Å; I43-S47 PolarHBondContact O-N 2.93Å; I43-S47 PolarHBondContact O-OG 3.5Å; I43-L241 HydrophobicContact CG2-CD1 4.07Å; I43-P267 HydrophobicContact CD1-CB 4.2Å; I43-P267 HydrophobicContact CD1-CG 4.12Å; I43-P267 HydrophobicContact CG2-CB 4.05Å; I43-P267 HydrophobicContact CG2-CG 3.9Å; I43-K283 HydrophobicContact CD1-CD 4.28Å; I43-F284 HydrophobicContact CD1-CE2 3.73Å; I43-F284 HydrophobicContact CD1-CZ 3.73Å
44	F	98.4	Very high	93.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-54.2	-42.3	177.8	171.8	-96.6	0	0	0	111.9	F40 R41 K46 S47 I50 L125 R130 L241 L298	F40-F44 HydrophobicContact CE1-CB 4.06Å; F40-F44 HydrophobicContact CE1-CG 4.47Å; F40-F44 HydrophobicContact CZ-CB 4.24Å; F40-F44 HydrophobicContact CZ-CD2 4.48Å; F40-F44 WeakPolarHBondContact O-CB 3.23Å; F40-F44 PolarHBondContact O-N 2.89Å; R41-F44 VanDerWaalsContact NH1-CE1 3.29Å; R41-F44 PolarHBondContact O-N 3.37Å; F44-K46 PolarHBondContact O-N 2.63Å; F44-S47 PolarHBondContact O-N 2.77Å; F44-I50 HydrophobicContact CD2-CD1 3.81Å; F44-I50 HydrophobicContact CE2-CD1 3.61Å; F44-L125 HydrophobicContact CE2-CD1 4.1Å; F44-L125 HydrophobicContact CZ-CD1 3.97Å; F44-R130 PolarHBondContact O-NH2 3.41Å; F44-L241 HydrophobicContact CB-CD2 4.11Å; F44-L241 HydrophobicContact CD2-CD2 4Å; F44-L298 HydrophobicContact CD2-CD2 4.15Å; F44-L298 HydrophobicContact CE2-CD2 3.67Å; F44-L298 HydrophobicContact CZ-CD2 4.28Å
45	S	97.7	Very high	95.7	Very high	14 Å²	14	33.8 Å²	33.8	10%	0.098	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.3	-178.8	70.6	0	0	0	0	114	R41 E42 I43 H301	R41-S45 WeakPolarHBondContact O-CB 3.33Å; R41-S45 PolarHBondContact O-N 3.3Å; R41-S45 PolarHBondContact O-OG 3.14Å; E42-S45 PolarHBondContact O-OG 2.8Å; I43-S45 VanDerWaalsContact C-N 3.26Å; I43-S45 PolarHBondContact O-N 3.33Å; S45-H301 VanDerWaalsContact CB-CG 3.4Å; S45-H301 VanDerWaalsContact CB-ND1 3.35Å; S45-H301 WeakPolarHBondContact CB-ND1 3.48Å
46	K	97.4	Very high	97	Very high	139 Å²	139	32.4 Å²	32.4	60%	0.604	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-8.1	-177.8	-64.5	166	-169.7	148.1	0	113.9	E42 I43 F44 N48	E42-K46 WeakPolarHBondContact O-CD 3.31Å; E42-K46 IonicContact OE2-NZ 2.91Å; E42-K46 PolarHBondContact OE2-NZ 3.25Å; I43-K46 PolarHBondContact O-N 3.23Å; I43-K46 VanDerWaalsContact O-N 3.08Å; F44-K46 PolarHBondContact O-N 2.63Å; K46-N48 PolarHBondContact O-ND2 3.04Å
47	S	98.4	Very high	97.4	Very high	5 Å²	5	32.2 Å²	32.2	4%	0.035	19%	0.185	C	C	.	.			trans	-80.6	127.9	-172.8	-58	0	0	0	0	111.8	I43 F44 R130 D240 L241	I43-S47 PolarHBondContact O-N 2.93Å; I43-S47 PolarHBondContact O-OG 3.5Å; F44-S47 PolarHBondContact O-N 2.77Å; S47-R130 PolarHBondContact O-NE 3.22Å; S47-R130 PolarHBondContact O-NH2 3.3Å; S47-D240 WeakPolarHBondContact CB-OD1 3.47Å; S47-L241 WeakPolarHBondContact OG-CB 3.38Å
48	N	98.1	Very high	97.6	Very high	86 Å²	86	29.7 Å²	29.7	46%	0.46	17%	0.172	S	C	.	.	S	Bend	trans	-98.7	-27	-178.2	-64.3	-68.5	0	0	0	113.3	K46 R130 K131 D240	K46-N48 PolarHBondContact O-ND2 3.04Å; N48-R130 CarbonylContact O-C 3.59Å; N48-K131 PolarHBondContact O-N 2.94Å; N48-D240 VanDerWaalsContact N-CG 3.33Å; N48-D240 PolarHBondContact N-OD1 2.83Å; N48-D240 VanDerWaalsContact N-OD1 3.1Å; N48-D240 PolarHBondContact N-OD2 2.86Å
49	N	98.6	Very high	97.7	Very high	61 Å²	61	26.9 Å²	26.9	33%	0.326	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	94.9	-177	-67.9	-46.7	0	0	0	109.5	K131 C239 D240	N49-K131 WeakPolarHBondContact CA-O 3.33Å; N49-C239 CarbonylContact O-C 3.31Å; N49-C239 WeakPolarHBondContact O-CA 3.38Å; N49-C239 VanDerWaalsContact O-CB 3.23Å; N49-C239 WeakPolarHBondContact O-CB 3.24Å; N49-D240 PolarHBondContact N-OD1 2.76Å; N49-D240 PolarHBondContact O-N 2.92Å
50	I	98.9	Very high	97.6	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.6	-174.5	-51.6	-179.9	0	0	0	110	F44 V52 L125 K131 V132 T133 L241 L243	F44-I50 HydrophobicContact CD2-CD1 3.81Å; F44-I50 HydrophobicContact CE2-CD1 3.61Å; I50-V52 HydrophobicContact CG2-CG2 4.22Å; I50-L125 HydrophobicContact CD1-CD1 3.64Å; I50-K131 PolarHBondContact N-O 2.71Å; I50-V132 HydrophobicContact CB-CG2 4.29Å; I50-V132 HydrophobicContact CD1-CG2 4.41Å; I50-V132 CarbonylContact O-C 3.54Å; I50-V132 WeakPolarHBondContact O-CA 3.44Å; I50-T133 PolarHBondContact O-N 3.03Å; I50-L241 WeakPolarHBondContact CA-O 3.26Å; I50-L241 HydrophobicContact CD1-CD2 4.27Å; I50-L241 HydrophobicContact CG1-CB 4.38Å; I50-L241 HydrophobicContact CG1-CD2 4.38Å; I50-L241 HydrophobicContact CG2-CD2 4.32Å; I50-L241 HydrophobicContact CG2-CG 4.34Å; I50-L243 HydrophobicContact CG2-CD1 3.66Å
51	A	98.9	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133	170.2	0	0	0	0	0	110.2	V235 L236 C239 L241 C242 L243	A51-V235 HydrophobicContact CB-CG1 4.02Å; A51-L236 HydrophobicContact CB-CD2 4.36Å; A51-C239 HydrophobicContact CB-CB 3.87Å; A51-L241 PolarHBondContact N-O 2.76Å; A51-C242 CarbonylContact O-C 3.04Å; A51-C242 WeakPolarHBondContact O-CA 3.27Å; A51-L243 PolarHBondContact O-N 3.37Å
52	V	98.9	Very high	97.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	104.7	177	-174.4	0	0	0	0	109	I50 T54 I118 V132 T133 V134 I135 L243 V245	I50-V52 HydrophobicContact CG2-CG2 4.22Å; V52-T54 HydrophobicContact CG1-CG2 3.86Å; V52-I118 HydrophobicContact CG1-CD1 3.96Å; V52-I118 HydrophobicContact CG1-CG1 4.35Å; V52-V132 HydrophobicContact CG2-CG1 3.93Å; V52-T133 PolarHBondContact N-O 3.06Å; V52-V134 HydrophobicContact CB-CG2 4.26Å; V52-V134 CarbonylContact O-C 2.91Å; V52-V134 WeakPolarHBondContact O-CA 3.38Å; V52-I135 PolarHBondContact O-N 2.95Å; V52-L243 HydrophobicContact CG1-CB 4.34Å; V52-L243 HydrophobicContact CG2-CB 4.42Å; V52-V245 HydrophobicContact CG1-CG2 4.14Å
53	I	98.8	Very high	97.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.5	177.3	-58.7	159.9	0	0	0	108.4	I135 L236 L243 I244 V245 F257 A258	I53-I135 VanDerWaalsContact CA-O 3.29Å; I53-I135 WeakPolarHBondContact CA-O 3.38Å; I53-I135 HydrophobicContact CG1-CB 4.41Å; I53-L236 HydrophobicContact CD1-CD2 3.95Å; I53-L236 HydrophobicContact CG1-CD2 4.42Å; I53-L243 PolarHBondContact N-O 3.36Å; I53-I244 WeakPolarHBondContact O-CA 3.22Å; I53-V245 PolarHBondContact O-N 3.26Å; I53-F257 HydrophobicContact CD1-CB 3.64Å; I53-A258 HydrophobicContact CD1-CB 3.89Å
54	T	98.6	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.7	-179.1	71.4	0	0	0	0	113	V52 I118 V134 I135 T136 Q137 H143 V245	V52-T54 HydrophobicContact CG1-CG2 3.86Å; T54-I118 HydrophobicContact CG2-CD1 4.35Å; T54-V134 HydrophobicContact CG2-CG1 4.26Å; T54-I135 PolarHBondContact N-O 2.94Å; T54-T136 VanDerWaalsContact OG1-CB 3.31Å; T54-T136 WeakPolarHBondContact OG1-CB 3.37Å; T54-T136 PolarHBondContact OG1-OG1 3.02Å; T54-Q137 WeakPolarHBondContact O-CB 3.32Å; T54-Q137 PolarHBondContact O-N 3.34Å; T54-H143 PolarHBondContact OG1-NE2 3.49Å; T54-V245 WeakPolarHBondContact CA-O 3.49Å; T54-V245 HydrophobicContact CG2-CB 4.12Å
55	G	96.9	Very high	96.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	18%	0.182	C	C	.	.			trans	-131.5	-170.8	173.1	0	0	0	0	0	112.6	G57 V58 N138 V245 G246	G55-G57 PolarHBondContact O-N 3.2Å; G55-V58 VanDerWaalsContact O-CG1 3.25Å; G55-V58 WeakPolarHBondContact O-CG1 3.45Å; G55-V58 PolarHBondContact O-N 3.08Å; G55-N138 WeakPolarHBondContact CA-OD1 3.23Å; G55-N138 PolarHBondContact O-ND2 3.47Å; G55-N138 PolarHBondContact O-OD1 2.95Å; G55-V245 PolarHBondContact N-O 2.99Å; G55-V245 VanDerWaalsContact N-O 3.08Å; G55-G246 CarbonylContact C-O 3.56Å; G55-G246 WeakPolarHBondContact CA-O 3.44Å
56	A	94.3	Very high	95.5	Very high	25 Å²	25	30.6 Å²	30.6	21%	0.207	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.2	-168.1	0	0	0	0	0	114.6	V58 S59 A60 T66 F67 N138 G246	A56-V58 VanDerWaalsContact C-N 3.28Å; A56-V58 PolarHBondContact O-N 3.21Å; A56-S59 PolarHBondContact O-N 3.27Å; A56-A60 PolarHBondContact O-N 3Å; A56-T66 HydrophobicContact CB-CG2 4.4Å; A56-F67 HydrophobicContact CB-CD2 4.07Å; A56-N138 VanDerWaalsContact CA-OD1 3.27Å; A56-N138 WeakPolarHBondContact CA-OD1 3.41Å; A56-N138 PolarHBondContact N-OD1 3.47Å; A56-G246 PolarHBondContact N-O 3.49Å
57	G	95.4	Very high	94.4	Very high	24 Å²	24	28.9 Å²	28.9	25%	0.247	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-63.5	-28.5	177.6	0	0	0	0	0	113.7	G55 S59 A60 G246	G55-G57 PolarHBondContact O-N 3.2Å; G57-S59 PolarHBondContact O-N 2.92Å; G57-A60 WeakPolarHBondContact O-CB 3.48Å; G57-A60 PolarHBondContact O-N 3.07Å; G57-G246 WeakPolarHBondContact CA-O 3.42Å; G57-G246 PolarHBondContact N-O 3.28Å
58	V	97.6	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-63.6	-30	175.5	80.6	0	0	0	0	111.5	G55 A56 N112 A114 H115 N138 V245	G55-V58 VanDerWaalsContact O-CG1 3.25Å; G55-V58 WeakPolarHBondContact O-CG1 3.45Å; G55-V58 PolarHBondContact O-N 3.08Å; A56-V58 VanDerWaalsContact C-N 3.28Å; A56-V58 PolarHBondContact O-N 3.21Å; V58-N112 PolarHBondContact O-ND2 2.82Å; V58-A114 HydrophobicContact CG2-CB 3.87Å; V58-H115 PolarHBondContact O-CE1 3.41Å; V58-H115 VanDerWaalsContact O-CE1 3.22Å; V58-N138 WeakPolarHBondContact CG1-ND2 3.21Å; V58-V245 HydrophobicContact CB-CG1 4.23Å; V58-V245 HydrophobicContact CG2-CG1 3.83Å
59	S	97.4	Very high	91.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-92.7	-6.9	-178.4	-53.5	0	0	0	0	113.5	A56 G57 E61 S62 V64 N138 D140	A56-S59 PolarHBondContact O-N 3.27Å; G57-S59 PolarHBondContact O-N 2.92Å; S59-E61 VanDerWaalsContact C-N 3.32Å; S59-E61 PolarHBondContact O-N 2.82Å; S59-S62 WeakPolarHBondContact O-CA 3.49Å; S59-S62 VanDerWaalsContact O-CB 3.31Å; S59-S62 WeakPolarHBondContact O-CB 3.28Å; S59-S62 PolarHBondContact O-N 3.39Å; S59-V64 WeakPolarHBondContact O-CB 3.45Å; S59-V64 PolarHBondContact O-N 3.28Å; S59-N138 PolarHBondContact OG-ND2 3.37Å; S59-N138 VanDerWaalsContact OG-ND2 3.13Å; S59-D140 VanDerWaalsContact CB-OD2 3.32Å; S59-D140 WeakPolarHBondContact CB-OD2 3.21Å; S59-D140 PolarHBondContact OG-OD2 3.16Å
60	A	94.3	Very high	89.7	Confident	37 Å²	37	34.2 Å²	34.2	31%	0.306	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-60.4	-41.9	-178.5	0	0	0	0	0	111.9	A56 G57 S62 G63 T66	A56-A60 PolarHBondContact O-N 3Å; G57-A60 WeakPolarHBondContact O-CB 3.48Å; G57-A60 PolarHBondContact O-N 3.07Å; A60-S62 PolarHBondContact O-N 3.04Å; A60-G63 WeakPolarHBondContact O-CA 3.49Å; A60-G63 PolarHBondContact O-N 3.06Å; A60-T66 HydrophobicContact CB-CG2 3.68Å
61	E	94.9	Very high	88.2	Confident	76 Å²	76	35.6 Å²	35.6	36%	0.355	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-69.5	-13.7	177.4	-67.1	170.6	-108.3	0	0	113.1	S59 N112 P289 C290 G291	S59-E61 VanDerWaalsContact C-N 3.32Å; S59-E61 PolarHBondContact O-N 2.82Å; E61-N112 HydrophobicContact CB-CB 4.24Å; E61-P289 HydrophobicContact CG-CB 4.45Å; E61-P289 WeakPolarHBondContact OE1-CB 3.27Å; E61-C290 PolarHBondContact OE1-N 3.29Å; E61-G291 PolarHBondContact OE1-N 3.47Å; E61-G291 VanDerWaalsContact OE2-CA 3.26Å; E61-G291 WeakPolarHBondContact OE2-CA 3.39Å; E61-G291 PolarHBondContact OE2-N 3.46Å
62	S	96.6	Very high	87.2	Confident	18 Å²	18	35.9 Å²	35.9	13%	0.126	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-83.7	3	168.6	-67.1	0	0	0	0	112.7	S59 A60 V64 K109 N110 N112	S59-S62 WeakPolarHBondContact O-CA 3.49Å; S59-S62 VanDerWaalsContact O-CB 3.31Å; S59-S62 WeakPolarHBondContact O-CB 3.28Å; S59-S62 PolarHBondContact O-N 3.39Å; A60-S62 PolarHBondContact O-N 3.04Å; S62-V64 VanDerWaalsContact C-N 3.31Å; S62-K109 WeakPolarHBondContact O-CD 3.31Å; S62-N110 WeakPolarHBondContact CB-O 3.32Å; S62-N110 PolarHBondContact OG-O 2.74Å; S62-N112 PolarHBondContact N-ND2 2.7Å; S62-N112 WeakPolarHBondContact OG-CB 3.36Å; S62-N112 PolarHBondContact OG-N 3.37Å; S62-N112 PolarHBondContact OG-ND2 2.82Å
63	G	93.3	Very high	86.4	Confident	44 Å²	44	41.8 Å²	41.8	45%	0.454	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	23	-175.3	0	0	0	0	0	113.5	A60 K109	A60-G63 WeakPolarHBondContact O-CA 3.49Å; A60-G63 PolarHBondContact O-N 3.06Å; G63-K109 VanDerWaalsContact O-CE 3.27Å; G63-K109 WeakPolarHBondContact O-CE 3.44Å; G63-K109 PolarHBondContact O-NZ 3.49Å
64	V	91.7	Very high	85.8	Confident	21 Å²	21	42 Å²	42	13%	0.127	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-82.7	126.4	173	-176.8	0	0	0	0	108.8	S59 S62 T66 M106 K109 L142	S59-V64 WeakPolarHBondContact O-CB 3.45Å; S59-V64 PolarHBondContact O-N 3.28Å; S62-V64 VanDerWaalsContact C-N 3.31Å; V64-T66 PolarHBondContact O-N 3.22Å; V64-M106 HydrophobicContact CB-SD 4.36Å; V64-M106 HydrophobicContact CG1-SD 3.81Å; V64-M106 HydrophobicContact CG2-CE 4.03Å; V64-M106 HydrophobicContact CG2-SD 3.61Å; V64-K109 HydrophobicContact CG2-CB 4.34Å; V64-K109 HydrophobicContact CG2-CG 4.12Å; V64-L142 HydrophobicContact CG2-CD1 3.85Å
65	P	85.6	Confident	85.4	Confident	64 Å²	64	42.6 Å²	42.6	42%	0.416	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-58.6	125.2	173.5	-22.9	33.3	0	0	0	110.9
66	T	81.8	Confident	85	Confident	33 Å²	33	49.3 Å²	49.3	20%	0.202	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-87.3	163.2	175.7	73.1	0	0	0	0	111	A56 A60 V64 R68 G71 G72	A56-T66 HydrophobicContact CB-CG2 4.4Å; A60-T66 HydrophobicContact CB-CG2 3.68Å; V64-T66 PolarHBondContact O-N 3.22Å; T66-R68 PolarHBondContact O-N 3.39Å; T66-R68 PolarHBondContact OG1-N 2.79Å; T66-G71 CarbonylContact O-C 3.55Å; T66-G71 WeakPolarHBondContact O-CA 3.38Å; T66-G72 PolarHBondContact O-N 2.89Å
67	F	73.7	Confident	84.6	Confident	103 Å²	103	49.7 Å²	49.7	45%	0.452	30%	0.297	S	S	.	.	S	Bend	trans	-73.1	11.5	175.3	-60.8	-72.2	0	0	0	114.5	A56 A79	A56-F67 HydrophobicContact CB-CD2 4.07Å; F67-A79 HydrophobicContact CD1-CB 3.46Å; F67-A79 VanDerWaalsContact CD1-CB 3.46Å; F67-A79 HydrophobicContact CE1-CB 3.38Å
68	R	67.6	Low	84.3	Confident	103 Å²	103	51.6 Å²	51.6	39%	0.389	30%	0.3	S	S	.	.	S	Bend	trans	-116.3	151.2	179.8	-66.1	-177.4	177	-148.4	12.9	110.9	T66 G71 E274	T66-R68 PolarHBondContact O-N 3.39Å; T66-R68 PolarHBondContact OG1-N 2.79Å; R68-G71 PolarHBondContact O-N 2.58Å; R68-E274 IonicContact CZ-OE2 2.76Å; R68-E274 IonicContact NH1-OE2 3.51Å; R68-E274 PolarHBondContact NH1-OE2 3.1Å
69	G	67.1	Low	83.9	Confident	62 Å²	62	51.9 Å²	51.9	64%	0.639	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	59.3	-145.2	175.7	0	0	0	0	0	112.8	G71 G72	G69-G71 PolarHBondContact O-N 3.4Å; G69-G72 PolarHBondContact O-N 2.92Å; G69-G72 VanDerWaalsContact O-N 3.16Å
70	A	62.3	Low	83.4	Confident	99 Å²	99	55.4 Å²	55.4	82%	0.818	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-61.1	-26	-179.1	0	0	0	0	0	113.6	G72	A70-G72 VanDerWaalsContact C-N 3.28Å; A70-G72 PolarHBondContact O-N 3.45Å
71	G	67.3	Low	83.3	Confident	33 Å²	33	57.9 Å²	57.9	34%	0.34	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-73.9	-15.2	178.7	0	0	0	0	0	114.7	T66 R68 G69 Y73	T66-G71 CarbonylContact O-C 3.55Å; T66-G71 WeakPolarHBondContact O-CA 3.38Å; R68-G71 PolarHBondContact O-N 2.58Å; G69-G71 PolarHBondContact O-N 3.4Å; G71-Y73 VanDerWaalsContact C-N 3.27Å; G71-Y73 PolarHBondContact O-N 3.26Å
72	G	76.4	Confident	83.3	Confident	6 Å²	6	54.5 Å²	54.5	6%	0.062	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-78.1	-8.7	-176.9	0	0	0	0	0	114.7	T66 G69 A70 Q78 A79	T66-G72 PolarHBondContact O-N 2.89Å; G69-G72 PolarHBondContact O-N 2.92Å; G69-G72 VanDerWaalsContact O-N 3.16Å; A70-G72 VanDerWaalsContact C-N 3.28Å; A70-G72 PolarHBondContact O-N 3.45Å; G72-Q78 WeakPolarHBondContact O-CA 3.33Å; G72-A79 PolarHBondContact O-N 3.31Å
73	Y	82.4	Confident	83.2	Confident	127 Å²	127	54.1 Å²	54.1	50%	0.498	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.5	-177.4	-69.3	-94.6	0	0	0	111.4	G71 W77 Q78	G71-Y73 VanDerWaalsContact C-N 3.27Å; G71-Y73 PolarHBondContact O-N 3.26Å; Y73-W77 WeakPolarHBondContact CA-O 3.39Å; Y73-Q78 HydrophobicContact CD1-CG 3.84Å; Y73-Q78 HydrophobicContact CE1-CG 3.36Å; Y73-Q78 HydrophobicContact CE2-CG 4.3Å; Y73-Q78 HydrophobicContact CG-CG 4.48Å; Y73-Q78 PolarHBondContact OH-NE2 3.34Å
74	W	87.8	Confident	83.4	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.019	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.5	162.6	176	86.9	0	0	0	107.8	K76 W77 L82 R94 E97 F98 Y101 G185	W74-K76 PolarHBondContact O-N 3.45Å; W74-W77 AromaticContact CE3-CE3 3.68Å; W74-W77 HydrophobicContact CE3-CE3 3.68Å; W74-W77 HydrophobicContact CE3-CZ3 4.04Å; W74-W77 HydrophobicContact CH2-CZ3 4.25Å; W74-W77 AromaticContact CZ3-CE3 3.51Å; W74-W77 HydrophobicContact CZ3-CE3 3.51Å; W74-W77 AromaticContact CZ3-CZ3 3.43Å; W74-W77 HydrophobicContact CZ3-CZ3 3.43Å; W74-W77 VanDerWaalsContact CZ3-CZ3 3.43Å; W74-W77 PolarHBondContact N-O 3.43Å; W74-W77 PolarHBondContact O-N 3.2Å; W74-L82 HydrophobicContact CD2-CD1 4.46Å; W74-L82 HydrophobicContact CE3-CD1 3.46Å; W74-L82 VanDerWaalsContact CE3-CD1 3.46Å; W74-L82 HydrophobicContact CZ3-CD1 3.91Å; W74-R94 HydrophobicContact CH2-CG 4.33Å; W74-R94 HydrophobicContact CZ3-CG 4Å; W74-E97 HydrophobicContact CH2-CB 3.88Å; W74-E97 HydrophobicContact CZ2-CB 4Å; W74-F98 HydrophobicContact CB-CD2 3.66Å; W74-F98 HydrophobicContact CB-CE2 3.83Å; W74-F98 HydrophobicContact CD2-CB 4.08Å; W74-F98 AromaticContact CD2-CD2 3.77Å; W74-F98 HydrophobicContact CD2-CD2 3.77Å; W74-F98 HydrophobicContact CD2-CG 4.42Å; W74-F98 HydrophobicContact CE3-CB 3.92Å; W74-F98 HydrophobicContact CE3-CD2 4.03Å; W74-F98 HydrophobicContact CE3-CG 4.39Å; W74-F98 AromaticContact CG-CD2 3.61Å; W74-F98 HydrophobicContact CG-CD2 3.61Å; W74-F98 HydrophobicContact CG-CE2 4.25Å; W74-F98 HydrophobicContact CH2-CB 4.21Å; W74-F98 HydrophobicContact CZ2-CB 4.39Å; W74-F98 HydrophobicContact CZ3-CB 3.96Å; W74-Y101 AromaticContact CD1-CD1 3.33Å; W74-Y101 AromaticContact CD1-CE1 3.73Å; W74-Y101 AromaticContact CD1-CG 3.85Å; W74-Y101 HydrophobicContact CG-CD1 4.45Å; W74-Y101 AromaticContact NE1-CD1 3.61Å; W74-Y101 AromaticContact NE1-CG 3.63Å; W74-G185 PolarHBondContact NE1-O 3.46Å
75	R	89.3	Confident	83.7	Confident	13 Å²	13	54.7 Å²	54.7	5%	0.049	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-120.2	-160.8	-49.6	-165.8	-179.5	147.3	-5.4	110.2	W77 E97 A186 P187 D188 A191 D193	R75-W77 HydrophobicContact CB-CE3 4.1Å; R75-W77 HydrophobicContact CB-CZ3 4.13Å; R75-W77 HydrophobicContact CG-CZ3 4.33Å; R75-E97 IonicContact CZ-OE1 3.05Å; R75-E97 IonicContact NH1-OE1 2.64Å; R75-E97 IonicContact NH2-OE1 3.59Å; R75-E97 PolarHBondContact NH2-OE1 2.86Å; R75-A186 PolarHBondContact NE-O 3.21Å; R75-A186 VanDerWaalsContact NE-O 3.1Å; R75-P187 VanDerWaalsContact CA-O 3.26Å; R75-P187 WeakPolarHBondContact CA-O 3.1Å; R75-P187 PolarHBondContact N-O 3.07Å; R75-D188 VanDerWaalsContact CG-O 3.28Å; R75-D188 WeakPolarHBondContact CG-O 3.32Å; R75-A191 WeakPolarHBondContact CD-O 3.26Å; R75-D193 IonicContact NH1-OD1 3.31Å; R75-D193 PolarHBondContact NH1-OD1 3.38Å
76	K	87.6	Confident	84.3	Confident	143 Å²	143	56 Å²	56	62%	0.622	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-0.7	177.8	64.4	-173.6	174.2	-170	0	114.4	W74	W74-K76 PolarHBondContact O-N 3.45Å
77	W	87	Confident	85	Confident	33 Å²	33	55.3 Å²	55.3	13%	0.125	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.8	-173.8	-59.5	-66	0	0	0	111.1	Y73 W74 R75 L82 R94 D193	Y73-W77 WeakPolarHBondContact CA-O 3.39Å; W74-W77 AromaticContact CE3-CE3 3.68Å; W74-W77 HydrophobicContact CE3-CE3 3.68Å; W74-W77 HydrophobicContact CE3-CZ3 4.04Å; W74-W77 HydrophobicContact CH2-CZ3 4.25Å; W74-W77 AromaticContact CZ3-CE3 3.51Å; W74-W77 HydrophobicContact CZ3-CE3 3.51Å; W74-W77 AromaticContact CZ3-CZ3 3.43Å; W74-W77 HydrophobicContact CZ3-CZ3 3.43Å; W74-W77 VanDerWaalsContact CZ3-CZ3 3.43Å; W74-W77 PolarHBondContact N-O 3.43Å; W74-W77 PolarHBondContact O-N 3.2Å; R75-W77 HydrophobicContact CB-CE3 4.1Å; R75-W77 HydrophobicContact CB-CZ3 4.13Å; R75-W77 HydrophobicContact CG-CZ3 4.33Å; W77-L82 HydrophobicContact CB-CD1 3.81Å; W77-L82 HydrophobicContact CB-CD2 4.3Å; W77-L82 HydrophobicContact CB-CG 3.88Å; W77-L82 HydrophobicContact CD2-CD1 4.49Å; W77-L82 HydrophobicContact CD2-CD2 4.14Å; W77-L82 HydrophobicContact CE3-CD1 4.15Å; W77-L82 HydrophobicContact CE3-CD2 4.22Å; W77-L82 HydrophobicContact CG-CD1 4.39Å; W77-L82 HydrophobicContact CG-CD2 4.18Å; W77-L82 HydrophobicContact CG-CG 4.3Å; W77-R94 HydrophobicContact CE3-CG 4.39Å; W77-R94 HydrophobicContact CH2-CG 3.95Å; W77-R94 VanDerWaalsContact CZ2-NE 3.31Å; W77-R94 VanDerWaalsContact CZ3-CD 3.46Å; W77-R94 HydrophobicContact CZ3-CG 3.76Å; W77-D193 WeakPolarHBondContact CH2-OD1 3.3Å
78	Q	89.3	Confident	86.2	Confident	64 Å²	64	50.9 Å²	50.9	30%	0.299	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	151.1	165.9	-59.1	-177.3	55.1	0	0	110.1	G72 Y73 Q80 E81	G72-Q78 WeakPolarHBondContact O-CA 3.33Å; Y73-Q78 HydrophobicContact CD1-CG 3.84Å; Y73-Q78 HydrophobicContact CE1-CG 3.36Å; Y73-Q78 HydrophobicContact CE2-CG 4.3Å; Y73-Q78 HydrophobicContact CG-CG 4.48Å; Y73-Q78 PolarHBondContact OH-NE2 3.34Å; Q78-Q80 VanDerWaalsContact CB-CD 3.46Å; Q78-Q80 HydrophobicContact CB-CG 4.49Å; Q78-Q80 VanDerWaalsContact CB-OE1 3.29Å; Q78-Q80 VanDerWaalsContact CD-NE2 3.29Å; Q78-Q80 PolarHBondContact O-N 3.42Å; Q78-Q80 VanDerWaalsContact O-N 3.16Å; Q78-E81 HydrophobicContact CB-CG 4.44Å; Q78-E81 PolarHBondContact N-OE1 3.39Å; Q78-E81 WeakPolarHBondContact O-CB 3.19Å; Q78-E81 PolarHBondContact O-N 2.86Å
79	A	87.8	Confident	87.6	Confident	6 Å²	6	49.8 Å²	49.8	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-57	-34.8	-177.5	0	0	0	0	0	113.7	F67 G72 E81 L82 A83 F98	F67-A79 HydrophobicContact CD1-CB 3.46Å; F67-A79 VanDerWaalsContact CD1-CB 3.46Å; F67-A79 HydrophobicContact CE1-CB 3.38Å; G72-A79 PolarHBondContact O-N 3.31Å; A79-E81 PolarHBondContact O-N 2.98Å; A79-L82 PolarHBondContact O-N 2.8Å; A79-A83 VanDerWaalsContact O-CB 3.28Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.11Å; A79-F98 HydrophobicContact CB-CZ 3.88Å
80	Q	88.1	Confident	89.1	Confident	73 Å²	73	54.1 Å²	54.1	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-68.8	-16.1	177.6	69.2	-85.5	15.6	0	0	114.2	Q78 T84 F220	Q78-Q80 VanDerWaalsContact CB-CD 3.46Å; Q78-Q80 HydrophobicContact CB-CG 4.49Å; Q78-Q80 VanDerWaalsContact CB-OE1 3.29Å; Q78-Q80 VanDerWaalsContact CD-NE2 3.29Å; Q78-Q80 PolarHBondContact O-N 3.42Å; Q78-Q80 VanDerWaalsContact O-N 3.16Å; Q80-T84 WeakPolarHBondContact O-CG2 3.37Å; Q80-F220 HydrophobicContact CB-CD2 3.73Å; Q80-F220 HydrophobicContact CB-CE1 4.41Å; Q80-F220 HydrophobicContact CB-CE2 3.5Å; Q80-F220 VanDerWaalsContact CB-CE2 3.5Å; Q80-F220 HydrophobicContact CB-CG 4.28Å; Q80-F220 HydrophobicContact CB-CZ 3.87Å
81	E	91.8	Very high	90.8	Very high	90 Å²	90	51.1 Å²	51.1	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-81.2	-30.7	173.4	-62.7	170.8	-136.6	0	0	111.2	Q78 A79 A87	Q78-E81 HydrophobicContact CB-CG 4.44Å; Q78-E81 PolarHBondContact N-OE1 3.39Å; Q78-E81 WeakPolarHBondContact O-CB 3.19Å; Q78-E81 PolarHBondContact O-N 2.86Å; A79-E81 PolarHBondContact O-N 2.98Å; E81-A87 VanDerWaalsContact O-CB 3.31Å; E81-A87 WeakPolarHBondContact O-CB 3.41Å
82	L	94.6	Very high	92.3	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-93.9	-32.3	-177.6	-65.2	172.4	0	0	0	113.4	W74 W77 A79 T84 R94 F98	W74-L82 HydrophobicContact CD2-CD1 4.46Å; W74-L82 HydrophobicContact CE3-CD1 3.46Å; W74-L82 VanDerWaalsContact CE3-CD1 3.46Å; W74-L82 HydrophobicContact CZ3-CD1 3.91Å; W77-L82 HydrophobicContact CB-CD1 3.81Å; W77-L82 HydrophobicContact CB-CD2 4.3Å; W77-L82 HydrophobicContact CB-CG 3.88Å; W77-L82 HydrophobicContact CD2-CD1 4.49Å; W77-L82 HydrophobicContact CD2-CD2 4.14Å; W77-L82 HydrophobicContact CE3-CD1 4.15Å; W77-L82 HydrophobicContact CE3-CD2 4.22Å; W77-L82 HydrophobicContact CG-CD1 4.39Å; W77-L82 HydrophobicContact CG-CD2 4.18Å; W77-L82 HydrophobicContact CG-CG 4.3Å; A79-L82 PolarHBondContact O-N 2.8Å; L82-T84 PolarHBondContact O-N 3.3Å; L82-R94 HydrophobicContact CD2-CG 4.19Å; L82-F98 HydrophobicContact CB-CD1 3.98Å; L82-F98 HydrophobicContact CB-CE1 4.22Å; L82-F98 HydrophobicContact CB-CG 4.34Å; L82-F98 HydrophobicContact CD1-CB 3.95Å; L82-F98 HydrophobicContact CD1-CD1 4.21Å; L82-F98 HydrophobicContact CD1-CD2 3.83Å; L82-F98 HydrophobicContact CD1-CE2 4.34Å; L82-F98 HydrophobicContact CD1-CG 3.74Å
83	A	95.6	Very high	93.3	Very high	10 Å²	10	50.3 Å²	50.3	8%	0.083	26%	0.262	C	S	.	.	S	Bend	trans	-83.5	56.9	178.6	0	0	0	0	0	111	A79 W219 F220	A79-A83 VanDerWaalsContact O-CB 3.28Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.11Å; A83-W219 WeakPolarHBondContact O-CA 3.48Å; A83-W219 VanDerWaalsContact O-CB 3.23Å; A83-W219 WeakPolarHBondContact O-CB 3.47Å; A83-F220 HydrophobicContact CB-CD2 4.13Å; A83-F220 HydrophobicContact CB-CE2 4.42Å; A83-F220 PolarHBondContact O-N 3.45Å
84	T	97.3	Very high	94.1	Very high	27 Å²	27	47.4 Å²	47.4	17%	0.166	25%	0.25	C	C	.	.	S	Bend	trans	-134.9	149.5	178.1	66.4	0	0	0	0	111.3	Q80 L82 T86 A87 F88 F220	Q80-T84 WeakPolarHBondContact O-CG2 3.37Å; L82-T84 PolarHBondContact O-N 3.3Å; T84-T86 PolarHBondContact O-N 3.45Å; T84-A87 PolarHBondContact O-N 3.09Å; T84-A87 WeakPolarHBondContact OG1-CB 3.45Å; T84-A87 PolarHBondContact OG1-N 3.34Å; T84-F88 PolarHBondContact O-N 2.84Å; T84-F88 VanDerWaalsContact O-N 3.17Å; T84-F220 HydrophobicContact CG2-CB 4.21Å
85	P	97.4	Very high	94.6	Very high	51 Å²	51	47.2 Å²	47.2	33%	0.331	25%	0.249	S	C	.	.	H	α-helix	trans	-57.1	-39.1	171.4	-23.4	33.4	0	0	0	112.1	F88 A89 W219 F220 E222	P85-F88 PolarHBondContact O-N 2.89Å; P85-A89 WeakPolarHBondContact O-CB 3.23Å; P85-A89 PolarHBondContact O-N 3.23Å; P85-W219 HydrophobicContact CB-CE3 4.26Å; P85-W219 HydrophobicContact CG-CB 4.48Å; P85-W219 HydrophobicContact CG-CE3 4.06Å; P85-F220 WeakPolarHBondContact CD-O 3.19Å; P85-E222 HydrophobicContact CG-CG 3.64Å
86	T	97.9	Very high	95	Very high	90 Å²	90	46.7 Å²	46.7	55%	0.552	25%	0.247	S	C	*	.	H	α-helix	trans	-61.3	-49.1	178.4	-54.9	0	0	0	0	111.4	T84 F88 A89 H90	T84-T86 PolarHBondContact O-N 3.45Å; T86-F88 VanDerWaalsContact C-N 3.32Å; T86-F88 PolarHBondContact O-N 2.76Å; T86-A89 PolarHBondContact O-N 3.46Å; T86-H90 VanDerWaalsContact CG2-CE1 3.47Å; T86-H90 WeakPolarHBondContact CG2-CE1 3.46Å; T86-H90 WeakPolarHBondContact CG2-ND1 3.39Å; T86-H90 PolarHBondContact O-N 3.06Å; T86-H90 PolarHBondContact O-ND1 2.96Å
87	A	97.8	Very high	95.5	Very high	19 Å²	19	40 Å²	40	16%	0.157	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-41	178.7	0	0	0	0	0	112	E81 T84 H90 N91 V95	E81-A87 VanDerWaalsContact O-CB 3.31Å; E81-A87 WeakPolarHBondContact O-CB 3.41Å; T84-A87 PolarHBondContact O-N 3.09Å; T84-A87 WeakPolarHBondContact OG1-CB 3.45Å; T84-A87 PolarHBondContact OG1-N 3.34Å; A87-H90 PolarHBondContact O-N 3.1Å; A87-N91 PolarHBondContact O-N 3.2Å; A87-V95 HydrophobicContact CB-CG2 4.04Å
88	F	98.3	Very high	96	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.044	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-39.4	178.1	-169.7	-103.7	0	0	0	112.8	T84 P85 T86 H90 P92 V95 W96 M164 L212 L213 R214 W219	T84-F88 PolarHBondContact O-N 2.84Å; T84-F88 VanDerWaalsContact O-N 3.17Å; P85-F88 PolarHBondContact O-N 2.89Å; T86-F88 VanDerWaalsContact C-N 3.32Å; T86-F88 PolarHBondContact O-N 2.76Å; F88-H90 VanDerWaalsContact C-N 3.35Å; F88-P92 HydrophobicContact CD2-CB 4.09Å; F88-P92 HydrophobicContact CE1-CB 4.37Å; F88-P92 HydrophobicContact CE2-CB 3.86Å; F88-P92 HydrophobicContact CG-CB 4.44Å; F88-P92 HydrophobicContact CZ-CB 4.01Å; F88-P92 WeakPolarHBondContact O-CA 3.15Å; F88-P92 WeakPolarHBondContact O-CB 3.48Å; F88-P92 WeakPolarHBondContact O-CD 3.43Å; F88-P92 VanDerWaalsContact O-N 3.17Å; F88-V95 HydrophobicContact CB-CG2 4.47Å; F88-V95 HydrophobicContact CD2-CB 3.87Å; F88-V95 HydrophobicContact CD2-CG1 3.73Å; F88-V95 HydrophobicContact CD2-CG2 4.48Å; F88-W96 AromaticContact CE2-CD1 3.74Å; F88-W96 AromaticContact CE2-NE1 3.62Å; F88-W96 AromaticContact CZ-NE1 3.77Å; F88-M164 HydrophobicContact CE1-CG 4.36Å; F88-L212 HydrophobicContact CE1-CD2 3.68Å; F88-L212 HydrophobicContact CE1-CG 4.27Å; F88-L212 HydrophobicContact CZ-CD2 3.69Å; F88-L212 HydrophobicContact CZ-CG 3.99Å; F88-L213 WeakPolarHBondContact CZ-O 3.35Å; F88-R214 HydrophobicContact CE1-CB 4.07Å; F88-R214 HydrophobicContact CE2-CB 4.27Å; F88-R214 HydrophobicContact CZ-CB 3.84Å; F88-W219 HydrophobicContact CB-CE3 4.46Å; F88-W219 HydrophobicContact CB-CH2 3.37Å; F88-W219 HydrophobicContact CB-CZ2 4.16Å; F88-W219 HydrophobicContact CB-CZ3 3.53Å; F88-W219 AromaticContact CD1-CH2 3.69Å; F88-W219 HydrophobicContact CD1-CH2 3.69Å; F88-W219 HydrophobicContact CD1-CZ3 4.07Å; F88-W219 AromaticContact CD2-CH2 3.57Å; F88-W219 HydrophobicContact CD2-CH2 3.57Å; F88-W219 HydrophobicContact CD2-CZ2 4.03Å; F88-W219 HydrophobicContact CE1-CH2 4.33Å; F88-W219 HydrophobicContact CE2-CH2 4.24Å; F88-W219 AromaticContact CG-CH2 3.25Å; F88-W219 HydrophobicContact CG-CH2 3.25Å; F88-W219 HydrophobicContact CG-CZ2 4.11Å; F88-W219 AromaticContact CG-CZ3 3.81Å; F88-W219 HydrophobicContact CG-CZ3 3.81Å
89	A	97.6	Very high	96.4	Very high	81 Å²	81	35.9 Å²	35.9	67%	0.669	20%	0.2	S	C	*	.	H	α-helix	trans	-65.4	-37.8	175.8	0	0	0	0	0	112.3	P85 T86	P85-A89 WeakPolarHBondContact O-CB 3.23Å; P85-A89 PolarHBondContact O-N 3.23Å; T86-A89 PolarHBondContact O-N 3.46Å
90	H	97.5	Very high	96.9	Very high	153 Å²	153	35.9 Å²	35.9	71%	0.708	20%	0.199	S	C	*	.	H	α-helix	trans	-77.8	-42.7	-179.5	-74.1	85.9	0	0	0	113.1	T86 A87 F88	T86-H90 VanDerWaalsContact CG2-CE1 3.47Å; T86-H90 WeakPolarHBondContact CG2-CE1 3.46Å; T86-H90 WeakPolarHBondContact CG2-ND1 3.39Å; T86-H90 PolarHBondContact O-N 3.06Å; T86-H90 PolarHBondContact O-ND1 2.96Å; A87-H90 PolarHBondContact O-N 3.1Å; F88-H90 VanDerWaalsContact C-N 3.35Å
91	N	98	Very high	97.3	Very high	35 Å²	35	35.5 Å²	35.5	19%	0.187	20%	0.195	C	C	.	.			trans	-146.9	78.8	-177.8	-167.9	-20.9	0	0	0	111	A87 S93 R94 V95 D193	A87-N91 PolarHBondContact O-N 3.2Å; N91-S93 PolarHBondContact O-N 2.79Å; N91-S93 PolarHBondContact OD1-N 2.83Å; N91-R94 HydrophobicContact CB-CB 4.19Å; N91-R94 PolarHBondContact ND2-NE 2.81Å; N91-R94 PolarHBondContact ND2-NH2 2.77Å; N91-R94 PolarHBondContact O-N 2.89Å; N91-R94 WeakPolarHBondContact OD1-CB 3.39Å; N91-R94 PolarHBondContact OD1-N 2.94Å; N91-V95 PolarHBondContact O-N 3.1Å; N91-D193 PolarHBondContact ND2-OD2 2.91Å
92	P	98.2	Very high	97.5	Very high	19 Å²	19	33.4 Å²	33.4	12%	0.123	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-26.5	-179	26.2	-33.8	0	0	0	112.2	F88 W96 V198 L201 L212	F88-P92 HydrophobicContact CD2-CB 4.09Å; F88-P92 HydrophobicContact CE1-CB 4.37Å; F88-P92 HydrophobicContact CE2-CB 3.86Å; F88-P92 HydrophobicContact CG-CB 4.44Å; F88-P92 HydrophobicContact CZ-CB 4.01Å; F88-P92 WeakPolarHBondContact O-CA 3.15Å; F88-P92 WeakPolarHBondContact O-CB 3.48Å; F88-P92 WeakPolarHBondContact O-CD 3.43Å; F88-P92 VanDerWaalsContact O-N 3.17Å; P92-W96 WeakPolarHBondContact O-CB 3.45Å; P92-W96 PolarHBondContact O-N 3.13Å; P92-V198 HydrophobicContact CG-CG2 3.82Å; P92-L201 HydrophobicContact CB-CD1 3.92Å; P92-L201 HydrophobicContact CG-CD1 4.05Å; P92-L212 HydrophobicContact CB-CD2 4.16Å
93	S	98.6	Very high	97.6	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-52.5	174.7	178.6	0	0	0	0	111.1	N91 V95 W96 E97 I196	N91-S93 PolarHBondContact O-N 2.79Å; N91-S93 PolarHBondContact OD1-N 2.83Å; S93-V95 VanDerWaalsContact C-N 3.33Å; S93-V95 PolarHBondContact O-N 3.31Å; S93-W96 PolarHBondContact O-N 3.3Å; S93-E97 WeakPolarHBondContact O-CG 3.32Å; S93-E97 PolarHBondContact O-N 2.84Å; S93-I196 PolarHBondContact OG-N 3.47Å
94	R	98.1	Very high	97.7	Very high	65 Å²	65	35.3 Å²	35.3	25%	0.245	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-42.8	-179.6	-178.8	-168.3	-64.1	159.5	0.7	111.8	W74 W77 L82 N91 W96 E97 F98 D193	W74-R94 HydrophobicContact CH2-CG 4.33Å; W74-R94 HydrophobicContact CZ3-CG 4Å; W77-R94 HydrophobicContact CE3-CG 4.39Å; W77-R94 HydrophobicContact CH2-CG 3.95Å; W77-R94 VanDerWaalsContact CZ2-NE 3.31Å; W77-R94 VanDerWaalsContact CZ3-CD 3.46Å; W77-R94 HydrophobicContact CZ3-CG 3.76Å; L82-R94 HydrophobicContact CD2-CG 4.19Å; N91-R94 HydrophobicContact CB-CB 4.19Å; N91-R94 PolarHBondContact ND2-NE 2.81Å; N91-R94 PolarHBondContact ND2-NH2 2.77Å; N91-R94 PolarHBondContact O-N 2.89Å; N91-R94 WeakPolarHBondContact OD1-CB 3.39Å; N91-R94 PolarHBondContact OD1-N 2.94Å; R94-W96 VanDerWaalsContact C-N 3.33Å; R94-W96 PolarHBondContact O-N 3.34Å; R94-E97 WeakPolarHBondContact O-CB 3.41Å; R94-E97 PolarHBondContact O-N 2.91Å; R94-F98 PolarHBondContact O-N 3.25Å; R94-D193 IonicContact CZ-OD2 2.82Å; R94-D193 IonicContact NE-OD1 3.79Å; R94-D193 PolarHBondContact NE-OD1 2.71Å; R94-D193 VanDerWaalsContact NE-OD1 3.15Å; R94-D193 IonicContact NE-OD2 3.94Å; R94-D193 PolarHBondContact NE-OD2 2.69Å; R94-D193 IonicContact NH2-OD2 3.84Å; R94-D193 PolarHBondContact NH2-OD2 2.78Å
95	V	98.3	Very high	97.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-41.6	177.4	177.2	0	0	0	0	110.3	A87 F88 N91 S93 E97 F98 Y99 W219	A87-V95 HydrophobicContact CB-CG2 4.04Å; F88-V95 HydrophobicContact CB-CG2 4.47Å; F88-V95 HydrophobicContact CD2-CB 3.87Å; F88-V95 HydrophobicContact CD2-CG1 3.73Å; F88-V95 HydrophobicContact CD2-CG2 4.48Å; N91-V95 PolarHBondContact O-N 3.1Å; S93-V95 VanDerWaalsContact C-N 3.33Å; S93-V95 PolarHBondContact O-N 3.31Å; V95-E97 PolarHBondContact O-N 2.89Å; V95-F98 WeakPolarHBondContact O-CB 3.35Å; V95-F98 PolarHBondContact O-N 3.15Å; V95-Y99 HydrophobicContact CG1-CD2 3.64Å; V95-Y99 HydrophobicContact CG1-CE2 3.65Å; V95-Y99 VanDerWaalsContact O-CD2 3.26Å; V95-Y99 WeakPolarHBondContact O-CD2 3.24Å; V95-Y99 PolarHBondContact O-N 3.17Å; V95-W219 HydrophobicContact CG1-CZ2 4.32Å
96	W	98.6	Very high	97.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-35.8	174.3	-90.4	121.5	0	0	0	113.6	F88 P92 S93 R94 Y99 H100 T161 I177 L181 L201 P202 L213 R214 P215	F88-W96 AromaticContact CE2-CD1 3.74Å; F88-W96 AromaticContact CE2-NE1 3.62Å; F88-W96 AromaticContact CZ-NE1 3.77Å; P92-W96 WeakPolarHBondContact O-CB 3.45Å; P92-W96 PolarHBondContact O-N 3.13Å; S93-W96 PolarHBondContact O-N 3.3Å; R94-W96 VanDerWaalsContact C-N 3.33Å; R94-W96 PolarHBondContact O-N 3.34Å; W96-Y99 PolarHBondContact O-N 2.72Å; W96-H100 WeakPolarHBondContact O-CB 3.37Å; W96-H100 PolarHBondContact O-N 2.76Å; W96-T161 HydrophobicContact CH2-CG2 4.01Å; W96-I177 HydrophobicContact CH2-CD1 3.85Å; W96-I177 HydrophobicContact CZ3-CD1 3.7Å; W96-L181 HydrophobicContact CB-CD1 4.17Å; W96-L181 HydrophobicContact CB-CD2 4.37Å; W96-L201 HydrophobicContact CB-CD2 4.04Å; W96-L201 HydrophobicContact CG-CD2 4.33Å; W96-P202 HydrophobicContact CD2-CG 3.91Å; W96-P202 HydrophobicContact CE3-CG 4.15Å; W96-P202 HydrophobicContact CG-CG 4.42Å; W96-P202 HydrophobicContact CH2-CB 4.3Å; W96-P202 HydrophobicContact CH2-CG 4.25Å; W96-P202 HydrophobicContact CZ2-CB 3.89Å; W96-P202 HydrophobicContact CZ2-CG 3.97Å; W96-P202 HydrophobicContact CZ3-CG 4.34Å; W96-L213 VanDerWaalsContact CE2-O 3.32Å; W96-L213 VanDerWaalsContact CZ2-C 3.49Å; W96-L213 HydrophobicContact CZ2-CB 3.95Å; W96-L213 WeakPolarHBondContact CZ2-O 3.4Å; W96-L213 PolarHBondContact NE1-O 3.1Å; W96-R214 VanDerWaalsContact CZ2-CA 3.44Å; W96-P215 HydrophobicContact CE3-CG 4.36Å; W96-P215 HydrophobicContact CH2-CG 3.91Å; W96-P215 HydrophobicContact CZ2-CG 4.48Å; W96-P215 HydrophobicContact CZ3-CG 3.84Å
97	E	98.4	Very high	97.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-45.1	171.1	-74.2	-180	76	0	0	111.7	W74 R75 S93 R94 V95 H100 Y101 L181 R184 G185 A194	W74-E97 HydrophobicContact CH2-CB 3.88Å; W74-E97 HydrophobicContact CZ2-CB 4Å; R75-E97 IonicContact CZ-OE1 3.05Å; R75-E97 IonicContact NH1-OE1 2.64Å; R75-E97 IonicContact NH2-OE1 3.59Å; R75-E97 PolarHBondContact NH2-OE1 2.86Å; S93-E97 WeakPolarHBondContact O-CG 3.32Å; S93-E97 PolarHBondContact O-N 2.84Å; R94-E97 WeakPolarHBondContact O-CB 3.41Å; R94-E97 PolarHBondContact O-N 2.91Å; V95-E97 PolarHBondContact O-N 2.89Å; E97-H100 PolarHBondContact O-N 2.68Å; E97-Y101 WeakPolarHBondContact O-CB 3.49Å; E97-Y101 PolarHBondContact O-N 3.47Å; E97-L181 HydrophobicContact CG-CD2 4.02Å; E97-R184 HydrophobicContact CG-CB 4.25Å; E97-G185 WeakPolarHBondContact O-CA 3.42Å; E97-A194 VanDerWaalsContact CD-CB 3.43Å; E97-A194 HydrophobicContact CG-CB 4.22Å; E97-A194 PolarHBondContact OE1-N 3.22Å; E97-A194 WeakPolarHBondContact OE2-CB 3.35Å; E97-A194 PolarHBondContact OE2-N 2.84Å
98	F	97.2	Very high	97.2	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-47.4	176	167.2	-114.1	0	0	0	112.3	W74 A79 L82 R94 V95 R102	W74-F98 HydrophobicContact CB-CD2 3.66Å; W74-F98 HydrophobicContact CB-CE2 3.83Å; W74-F98 HydrophobicContact CD2-CB 4.08Å; W74-F98 AromaticContact CD2-CD2 3.77Å; W74-F98 HydrophobicContact CD2-CD2 3.77Å; W74-F98 HydrophobicContact CD2-CG 4.42Å; W74-F98 HydrophobicContact CE3-CB 3.92Å; W74-F98 HydrophobicContact CE3-CD2 4.03Å; W74-F98 HydrophobicContact CE3-CG 4.39Å; W74-F98 AromaticContact CG-CD2 3.61Å; W74-F98 HydrophobicContact CG-CD2 3.61Å; W74-F98 HydrophobicContact CG-CE2 4.25Å; W74-F98 HydrophobicContact CH2-CB 4.21Å; W74-F98 HydrophobicContact CZ2-CB 4.39Å; W74-F98 HydrophobicContact CZ3-CB 3.96Å; A79-F98 HydrophobicContact CB-CZ 3.88Å; L82-F98 HydrophobicContact CB-CD1 3.98Å; L82-F98 HydrophobicContact CB-CE1 4.22Å; L82-F98 HydrophobicContact CB-CG 4.34Å; L82-F98 HydrophobicContact CD1-CB 3.95Å; L82-F98 HydrophobicContact CD1-CD1 4.21Å; L82-F98 HydrophobicContact CD1-CD2 3.83Å; L82-F98 HydrophobicContact CD1-CE2 4.34Å; L82-F98 HydrophobicContact CD1-CG 3.74Å; R94-F98 PolarHBondContact O-N 3.25Å; V95-F98 WeakPolarHBondContact O-CB 3.35Å; V95-F98 PolarHBondContact O-N 3.15Å; F98-R102 HydrophobicContact CE2-CG 4.32Å; F98-R102 VanDerWaalsContact CZ-CD 3.47Å; F98-R102 WeakPolarHBondContact O-CG 3.31Å; F98-R102 PolarHBondContact O-N 2.92Å
99	Y	97.9	Very high	97.2	Very high	4 Å²	4	39 Å²	39	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-71.1	-36.4	178.3	-81.8	-77.4	0	0	0	112.8	V95 W96 R102 R103 I139 L158 P215 V217 W219	V95-Y99 HydrophobicContact CG1-CD2 3.64Å; V95-Y99 HydrophobicContact CG1-CE2 3.65Å; V95-Y99 VanDerWaalsContact O-CD2 3.26Å; V95-Y99 WeakPolarHBondContact O-CD2 3.24Å; V95-Y99 PolarHBondContact O-N 3.17Å; W96-Y99 PolarHBondContact O-N 2.72Å; Y99-R102 PolarHBondContact O-N 2.75Å; Y99-R103 VanDerWaalsContact O-CG 3.25Å; Y99-R103 WeakPolarHBondContact O-CG 3.49Å; Y99-R103 PolarHBondContact O-N 2.76Å; Y99-I139 HydrophobicContact CE1-CD1 4.39Å; Y99-L158 HydrophobicContact CD1-CD2 3.51Å; Y99-L158 HydrophobicContact CE1-CD2 3.88Å; Y99-P215 HydrophobicContact CD1-CB 3.99Å; Y99-P215 HydrophobicContact CD1-CG 3.71Å; Y99-P215 HydrophobicContact CD2-CG 3.5Å; Y99-P215 HydrophobicContact CE1-CB 4.13Å; Y99-P215 HydrophobicContact CE1-CG 4.08Å; Y99-P215 HydrophobicContact CE2-CG 3.9Å; Y99-P215 HydrophobicContact CG-CB 4.22Å; Y99-P215 HydrophobicContact CG-CG 3.41Å; Y99-P215 VanDerWaalsContact CG-CG 3.41Å; Y99-V217 HydrophobicContact CE1-CG1 4.42Å; Y99-V217 HydrophobicContact CE1-CG2 3.88Å; Y99-V217 WeakPolarHBondContact OH-CG2 3.26Å; Y99-W219 HydrophobicContact CE2-CZ2 4.49Å; Y99-W219 AromaticContact CE2-NE1 3.65Å; Y99-W219 AromaticContact CZ-NE1 3.54Å; Y99-W219 VanDerWaalsContact OH-CD1 3.25Å; Y99-W219 PolarHBondContact OH-NE1 2.88Å
100	H	98.3	Very high	97.2	Very high	7 Å²	7	41 Å²	41	3%	0.032	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-49.6	174.6	176.8	49.2	0	0	0	110.7	W96 E97 R102 R103 E104 L181 R184	W96-H100 WeakPolarHBondContact O-CB 3.37Å; W96-H100 PolarHBondContact O-N 2.76Å; E97-H100 PolarHBondContact O-N 2.68Å; H100-R102 VanDerWaalsContact C-N 3.29Å; H100-R102 PolarHBondContact O-N 3.37Å; H100-R103 WeakPolarHBondContact O-CB 3.32Å; H100-R103 PolarHBondContact O-N 2.98Å; H100-R103 VanDerWaalsContact O-N 3.08Å; H100-E104 VanDerWaalsContact CE1-CD 3.46Å; H100-E104 WeakPolarHBondContact CE1-CG 3.45Å; H100-E104 IonicContact CE1-OE1 2.7Å; H100-E104 PolarHBondContact CE1-OE1 3.33Å; H100-E104 IonicContact ND1-OE1 3.62Å; H100-E104 PolarHBondContact ND1-OE1 2.91Å; H100-E104 WeakPolarHBondContact O-CG 3.15Å; H100-E104 PolarHBondContact O-N 2.91Å; H100-L181 HydrophobicContact CB-CD1 4.29Å; H100-L181 HydrophobicContact CB-CD2 4.34Å; H100-L181 PolarHBondContact CD2-O 3.19Å; H100-L181 VanDerWaalsContact CD2-O 3.22Å; H100-L181 PolarHBondContact NE2-O 3.31Å; H100-R184 PolarHBondContact CD2-O 3.28Å
101	Y	96.3	Very high	97.3	Very high	65 Å²	65	35 Å²	35	26%	0.255	18%	0.175	S	C	.	.	H	α-helix	trans	-50.7	-49.9	173.7	167.8	-106.7	0	0	0	112.3	W74 E97 R103 E104 V105 G185 P187	W74-Y101 AromaticContact CD1-CD1 3.33Å; W74-Y101 AromaticContact CD1-CE1 3.73Å; W74-Y101 AromaticContact CD1-CG 3.85Å; W74-Y101 HydrophobicContact CG-CD1 4.45Å; W74-Y101 AromaticContact NE1-CD1 3.61Å; W74-Y101 AromaticContact NE1-CG 3.63Å; E97-Y101 WeakPolarHBondContact O-CB 3.49Å; E97-Y101 PolarHBondContact O-N 3.47Å; Y101-R103 VanDerWaalsContact C-N 3.33Å; Y101-R103 PolarHBondContact O-N 3.4Å; Y101-E104 PolarHBondContact O-N 3.35Å; Y101-V105 HydrophobicContact CD1-CG2 4.47Å; Y101-V105 HydrophobicContact CD2-CG2 4.01Å; Y101-V105 HydrophobicContact CE1-CG2 4.04Å; Y101-V105 HydrophobicContact CE2-CG2 3.52Å; Y101-V105 HydrophobicContact CG-CG2 4.46Å; Y101-V105 VanDerWaalsContact O-CG2 3.29Å; Y101-V105 WeakPolarHBondContact O-CG2 3.47Å; Y101-V105 PolarHBondContact O-N 3.34Å; Y101-G185 VanDerWaalsContact CB-O 3.22Å; Y101-G185 WeakPolarHBondContact CB-O 3.43Å; Y101-G185 WeakPolarHBondContact CD2-O 3.21Å; Y101-P187 HydrophobicContact CD2-CB 4.47Å; Y101-P187 HydrophobicContact CD2-CG 4.35Å; Y101-P187 HydrophobicContact CE1-CB 4.18Å; Y101-P187 HydrophobicContact CE2-CB 3.94Å; Y101-P187 HydrophobicContact CE2-CG 3.62Å
102	R	96.1	Very high	97.3	Very high	45 Å²	45	33.8 Å²	33.8	17%	0.17	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-38.6	-179.8	-68.9	178.5	67.9	-164.9	2	112.3	F98 Y99 H100 M106 L158	F98-R102 HydrophobicContact CE2-CG 4.32Å; F98-R102 VanDerWaalsContact CZ-CD 3.47Å; F98-R102 WeakPolarHBondContact O-CG 3.31Å; F98-R102 PolarHBondContact O-N 2.92Å; Y99-R102 PolarHBondContact O-N 2.75Å; H100-R102 VanDerWaalsContact C-N 3.29Å; H100-R102 PolarHBondContact O-N 3.37Å; R102-M106 WeakPolarHBondContact O-CB 3.24Å; R102-M106 VanDerWaalsContact O-CG 3.24Å; R102-M106 WeakPolarHBondContact O-CG 3.49Å; R102-M106 PolarHBondContact O-N 3.44Å; R102-L158 HydrophobicContact CB-CD1 4.17Å; R102-L158 HydrophobicContact CB-CD2 4.17Å
103	R	97.4	Very high	97.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-49.6	174	-71.4	164.2	57.3	84.4	2.4	111	Y99 H100 Y101 V105 M106 L107 L158 F159 N172 K174	Y99-R103 VanDerWaalsContact O-CG 3.25Å; Y99-R103 WeakPolarHBondContact O-CG 3.49Å; Y99-R103 PolarHBondContact O-N 2.76Å; H100-R103 WeakPolarHBondContact O-CB 3.32Å; H100-R103 PolarHBondContact O-N 2.98Å; H100-R103 VanDerWaalsContact O-N 3.08Å; Y101-R103 VanDerWaalsContact C-N 3.33Å; Y101-R103 PolarHBondContact O-N 3.4Å; R103-V105 PolarHBondContact O-N 3.09Å; R103-M106 PolarHBondContact O-N 3.44Å; R103-M106 VanDerWaalsContact O-N 3.13Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 3.2Å; R103-L158 HydrophobicContact CG-CB 4.3Å; R103-L158 WeakPolarHBondContact CG-O 3.47Å; R103-L158 PolarHBondContact NH1-O 2.94Å; R103-F159 HydrophobicContact CB-CE1 4.25Å; R103-F159 HydrophobicContact CG-CE1 4.36Å; R103-N172 VanDerWaalsContact CZ-O 3.27Å; R103-N172 PolarHBondContact NH1-O 2.89Å; R103-N172 PolarHBondContact NH2-O 2.86Å; R103-N172 PolarHBondContact NH2-OD1 3.42Å; R103-K174 PolarHBondContact NH2-O 2.86Å
104	E	96.9	Very high	97.3	Very high	53 Å²	53	35.6 Å²	35.6	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-41.2	179.4	-61.5	-47.9	128.6	0	0	112.1	H100 Y101 M106 L107 S175	H100-E104 VanDerWaalsContact CE1-CD 3.46Å; H100-E104 WeakPolarHBondContact CE1-CG 3.45Å; H100-E104 IonicContact CE1-OE1 2.7Å; H100-E104 PolarHBondContact CE1-OE1 3.33Å; H100-E104 IonicContact ND1-OE1 3.62Å; H100-E104 PolarHBondContact ND1-OE1 2.91Å; H100-E104 WeakPolarHBondContact O-CG 3.15Å; H100-E104 PolarHBondContact O-N 2.91Å; Y101-E104 PolarHBondContact O-N 3.35Å; E104-M106 VanDerWaalsContact C-N 3.33Å; E104-M106 PolarHBondContact O-N 2.94Å; E104-L107 PolarHBondContact O-N 3.22Å; E104-S175 VanDerWaalsContact CD-OG 3.3Å; E104-S175 PolarHBondContact OE1-OG 3.47Å; E104-S175 PolarHBondContact OE2-OG 3Å
105	V	94.7	Very high	97.4	Very high	27 Å²	27	32.5 Å²	32.5	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-48.5	172.4	170.6	0	0	0	0	110.4	Y101 R103 L107 T108 K109	Y101-V105 HydrophobicContact CD1-CG2 4.47Å; Y101-V105 HydrophobicContact CD2-CG2 4.01Å; Y101-V105 HydrophobicContact CE1-CG2 4.04Å; Y101-V105 HydrophobicContact CE2-CG2 3.52Å; Y101-V105 HydrophobicContact CG-CG2 4.46Å; Y101-V105 VanDerWaalsContact O-CG2 3.29Å; Y101-V105 WeakPolarHBondContact O-CG2 3.47Å; Y101-V105 PolarHBondContact O-N 3.34Å; R103-V105 PolarHBondContact O-N 3.09Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 2.98Å; V105-T108 PolarHBondContact O-N 2.93Å; V105-T108 PolarHBondContact O-OG1 3.38Å; V105-K109 WeakPolarHBondContact O-CE 3.33Å; V105-K109 WeakPolarHBondContact O-CG 3.42Å
106	M	96.6	Very high	97.4	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.054	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-32	-175.8	-78	-51.2	-47.8	0	0	113.9	V64 R102 R103 E104 T108 K109 D140 L142 L158 F159	V64-M106 HydrophobicContact CB-SD 4.36Å; V64-M106 HydrophobicContact CG1-SD 3.81Å; V64-M106 HydrophobicContact CG2-CE 4.03Å; V64-M106 HydrophobicContact CG2-SD 3.61Å; R102-M106 WeakPolarHBondContact O-CB 3.24Å; R102-M106 VanDerWaalsContact O-CG 3.24Å; R102-M106 WeakPolarHBondContact O-CG 3.49Å; R102-M106 PolarHBondContact O-N 3.44Å; R103-M106 PolarHBondContact O-N 3.44Å; R103-M106 VanDerWaalsContact O-N 3.13Å; E104-M106 VanDerWaalsContact C-N 3.33Å; E104-M106 PolarHBondContact O-N 2.94Å; M106-T108 PolarHBondContact O-N 3.28Å; M106-K109 HydrophobicContact CE-CB 3.92Å; M106-K109 HydrophobicContact CE-CG 4.22Å; M106-K109 PolarHBondContact O-N 3.34Å; M106-K109 HydrophobicContact SD-CG 4.16Å; M106-D140 HydrophobicContact CE-CB 3.65Å; M106-D140 HydrophobicContact SD-CB 3.91Å; M106-L142 HydrophobicContact CE-CD1 4.18Å; M106-L142 HydrophobicContact CE-CD2 3.82Å; M106-L142 HydrophobicContact CE-CG 3.85Å; M106-L158 HydrophobicContact CG-CD1 3.78Å; M106-F159 HydrophobicContact CB-CE2 3.99Å; M106-F159 HydrophobicContact CB-CZ 3.66Å
107	L	94.7	Very high	97.4	Very high	83 Å²	83	37 Å²	37	44%	0.435	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.7	176	-69.9	172.6	0	0	0	113.4	R103 E104 V105 F159	R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 3.2Å; E104-L107 PolarHBondContact O-N 3.22Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 2.98Å; L107-F159 HydrophobicContact CD2-CE1 3.89Å; L107-F159 HydrophobicContact CD2-CZ 4.2Å; L107-F159 HydrophobicContact CG-CE1 4.22Å; L107-F159 HydrophobicContact CG-CZ 4.44Å
108	T	94.2	Very high	97.4	Very high	95 Å²	95	37 Å²	37	58%	0.583	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.6	177.2	70.1	0	0	0	0	114.1	V105 M106	V105-T108 PolarHBondContact O-N 2.93Å; V105-T108 PolarHBondContact O-OG1 3.38Å; M106-T108 PolarHBondContact O-N 3.28Å
109	K	97.3	Very high	97.5	Very high	59 Å²	59	37 Å²	37	26%	0.257	19%	0.193	S	C	.	.			trans	-100.8	147.6	-173	-50.6	-50.7	-179.6	-175.9	0	111	S62 G63 V64 V105 M106	S62-K109 WeakPolarHBondContact O-CD 3.31Å; G63-K109 VanDerWaalsContact O-CE 3.27Å; G63-K109 WeakPolarHBondContact O-CE 3.44Å; G63-K109 PolarHBondContact O-NZ 3.49Å; V64-K109 HydrophobicContact CG2-CB 4.34Å; V64-K109 HydrophobicContact CG2-CG 4.12Å; V105-K109 WeakPolarHBondContact O-CE 3.33Å; V105-K109 WeakPolarHBondContact O-CG 3.42Å; M106-K109 HydrophobicContact CE-CB 3.92Å; M106-K109 HydrophobicContact CE-CG 4.22Å; M106-K109 PolarHBondContact O-N 3.34Å; M106-K109 HydrophobicContact SD-CG 4.16Å
110	N	98.2	Very high	97.6	Very high	123 Å²	123	42.4 Å²	42.4	66%	0.658	22%	0.218	S	C	*	.			trans	-122.6	154.3	177.5	-67.8	-68.7	0	0	0	110.3	S62 N112	S62-N110 WeakPolarHBondContact CB-O 3.32Å; S62-N110 PolarHBondContact OG-O 2.74Å; N110-N112 PolarHBondContact O-N 3.08Å
111	P	98.7	Very high	97.6	Very high	26 Å²	26	42.2 Å²	42.2	17%	0.169	22%	0.218	C	C	.	.			trans	-56.5	139.4	170.9	-20.2	31.3	0	0	0	111.2	H115 L142 C145 A146	P111-H115 HydrophobicContact CB-CB 3.81Å; P111-L142 WeakPolarHBondContact CG-O 3.47Å; P111-C145 HydrophobicContact CG-CB 3.67Å; P111-A146 HydrophobicContact CB-CB 3.81Å; P111-A146 HydrophobicContact CG-CB 4.02Å
112	N	98.7	Very high	97.7	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.048	21%	0.209	C	C	.	.			trans	-95.1	177.7	175.7	67.2	41.1	0	0	0	111.2	V58 E61 S62 N110 A114 H115 Q116	V58-N112 PolarHBondContact O-ND2 2.82Å; E61-N112 HydrophobicContact CB-CB 4.24Å; S62-N112 PolarHBondContact N-ND2 2.7Å; S62-N112 WeakPolarHBondContact OG-CB 3.36Å; S62-N112 PolarHBondContact OG-N 3.37Å; S62-N112 PolarHBondContact OG-ND2 2.82Å; N110-N112 PolarHBondContact O-N 3.08Å; N112-A114 PolarHBondContact O-N 2.79Å; N112-A114 VanDerWaalsContact O-N 3.1Å; N112-A114 WeakPolarHBondContact OD1-CB 3.35Å; N112-A114 PolarHBondContact OD1-N 2.97Å; N112-H115 VanDerWaalsContact CG-ND1 3.28Å; N112-H115 PolarHBondContact N-ND1 2.82Å; N112-H115 PolarHBondContact ND2-CE1 2.7Å; N112-H115 PolarHBondContact ND2-ND1 3.5Å; N112-H115 PolarHBondContact O-N 3.15Å; N112-H115 PolarHBondContact OD1-N 2.88Å; N112-H115 PolarHBondContact OD1-ND1 3.13Å; N112-Q116 PolarHBondContact O-N 2.87Å; N112-Q116 VanDerWaalsContact O-N 3.16Å
113	P	98.8	Very high	97.8	Very high	61 Å²	61	42.5 Å²	42.5	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-56.3	-27.5	-178.5	-29.2	37.6	0	0	0	115.4	A117 P295	P113-A117 VanDerWaalsContact O-CB 3.24Å; P113-A117 WeakPolarHBondContact O-CB 3.41Å; P113-A117 PolarHBondContact O-N 2.97Å; P113-P295 HydrophobicContact CB-CG 4.22Å
114	A	98.7	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-45.6	175.9	0	0	0	0	0	111.6	V58 N112 A117 I118 C290 L294	V58-A114 HydrophobicContact CG2-CB 3.87Å; N112-A114 PolarHBondContact O-N 2.79Å; N112-A114 VanDerWaalsContact O-N 3.1Å; N112-A114 WeakPolarHBondContact OD1-CB 3.35Å; N112-A114 PolarHBondContact OD1-N 2.97Å; A114-A117 PolarHBondContact O-N 3.23Å; A114-I118 WeakPolarHBondContact O-CD1 3.28Å; A114-I118 VanDerWaalsContact O-CG1 3.3Å; A114-I118 WeakPolarHBondContact O-CG1 3.3Å; A114-I118 PolarHBondContact O-N 2.7Å; A114-I118 VanDerWaalsContact O-N 3.12Å; A114-C290 HydrophobicContact CB-CB 3.94Å; A114-L294 HydrophobicContact CB-CD1 3.89Å
115	H	98.9	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-42.9	178.6	-59.9	87.5	0	0	0	111.2	V58 P111 N112 I118 A119 H143 A146	V58-H115 PolarHBondContact O-CE1 3.41Å; V58-H115 VanDerWaalsContact O-CE1 3.22Å; P111-H115 HydrophobicContact CB-CB 3.81Å; N112-H115 VanDerWaalsContact CG-ND1 3.28Å; N112-H115 PolarHBondContact N-ND1 2.82Å; N112-H115 PolarHBondContact ND2-CE1 2.7Å; N112-H115 PolarHBondContact ND2-ND1 3.5Å; N112-H115 PolarHBondContact O-N 3.15Å; N112-H115 PolarHBondContact OD1-N 2.88Å; N112-H115 PolarHBondContact OD1-ND1 3.13Å; H115-I118 PolarHBondContact O-N 3.22Å; H115-A119 PolarHBondContact O-N 2.93Å; H115-H143 AromaticContact CD2-CE1 3.61Å; H115-H143 AromaticContact CD2-CG 3.92Å; H115-H143 AromaticContact CD2-ND1 3.56Å; H115-A146 HydrophobicContact CB-CB 3.73Å
116	Q	98.9	Very high	98.1	Very high	89 Å²	89	42.3 Å²	42.3	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-48	177.3	-67.4	172.2	-10.5	0	0	110.9	N112 I118 A119 E120	N112-Q116 PolarHBondContact O-N 2.87Å; N112-Q116 VanDerWaalsContact O-N 3.16Å; Q116-I118 VanDerWaalsContact C-N 3.28Å; Q116-I118 PolarHBondContact O-N 2.99Å; Q116-A119 PolarHBondContact O-N 2.93Å; Q116-E120 WeakPolarHBondContact O-CB 3.49Å; Q116-E120 VanDerWaalsContact O-CG 3.29Å; Q116-E120 WeakPolarHBondContact O-CG 3.41Å; Q116-E120 PolarHBondContact O-N 3.02Å
117	A	98.8	Very high	98.1	Very high	9 Å²	9	49.4 Å²	49.4	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-37.7	177.6	0	0	0	0	0	112.8	P113 A114 C121 P295 L298	P113-A117 VanDerWaalsContact O-CB 3.24Å; P113-A117 WeakPolarHBondContact O-CB 3.41Å; P113-A117 PolarHBondContact O-N 2.97Å; A114-A117 PolarHBondContact O-N 3.23Å; A117-C121 WeakPolarHBondContact O-CB 3.29Å; A117-C121 PolarHBondContact O-N 2.79Å; A117-P295 HydrophobicContact CB-CB 4.39Å; A117-P295 HydrophobicContact CB-CG 4.13Å; A117-L298 HydrophobicContact CB-CD1 4.45Å
118	I	98.9	Very high	98.2	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-48.4	175.9	-69.7	164.6	0	0	0	110.9	V52 T54 A114 H115 Q116 C121 E122 V134 L294 L298	V52-I118 HydrophobicContact CG1-CD1 3.96Å; V52-I118 HydrophobicContact CG1-CG1 4.35Å; T54-I118 HydrophobicContact CG2-CD1 4.35Å; A114-I118 WeakPolarHBondContact O-CD1 3.28Å; A114-I118 VanDerWaalsContact O-CG1 3.3Å; A114-I118 WeakPolarHBondContact O-CG1 3.3Å; A114-I118 PolarHBondContact O-N 2.7Å; A114-I118 VanDerWaalsContact O-N 3.12Å; H115-I118 PolarHBondContact O-N 3.22Å; Q116-I118 VanDerWaalsContact C-N 3.28Å; Q116-I118 PolarHBondContact O-N 2.99Å; I118-C121 WeakPolarHBondContact O-CB 3.4Å; I118-C121 PolarHBondContact O-N 3.35Å; I118-E122 PolarHBondContact O-N 3.41Å; I118-V134 HydrophobicContact CG2-CG2 3.44Å; I118-V134 VanDerWaalsContact CG2-CG2 3.44Å; I118-L294 HydrophobicContact CD1-CD1 3.9Å; I118-L294 HydrophobicContact CG1-CD1 4.2Å; I118-L298 HydrophobicContact CG1-CD1 3.94Å
119	A	98.9	Very high	98.4	Very high	9 Å²	9	47 Å²	47	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-43.9	-179.2	0	0	0	0	0	112.4	H115 Q116 C121 E122 E123 A146	H115-A119 PolarHBondContact O-N 2.93Å; Q116-A119 PolarHBondContact O-N 2.93Å; A119-C121 VanDerWaalsContact C-N 3.33Å; A119-C121 PolarHBondContact O-N 3.22Å; A119-E122 PolarHBondContact O-N 3.36Å; A119-E123 PolarHBondContact O-N 2.92Å; A119-A146 HydrophobicContact CB-CB 4.16Å; A119-A146 WeakPolarHBondContact CB-O 3.29Å
120	E	98.8	Very high	98.4	Very high	116 Å²	116	45 Å²	45	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-37.8	175.9	-71	172.3	-166.4	0	0	112	Q116 R124	Q116-E120 WeakPolarHBondContact O-CB 3.49Å; Q116-E120 VanDerWaalsContact O-CG 3.29Å; Q116-E120 WeakPolarHBondContact O-CG 3.41Å; Q116-E120 PolarHBondContact O-N 3.02Å; E120-R124 WeakPolarHBondContact O-CB 3.41Å; E120-R124 PolarHBondContact O-N 2.92Å
121	C	98.8	Very high	98.4	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-47.8	173.6	-178.1	0	0	0	0	111	A117 I118 A119 E123 R124 L125 L298	A117-C121 WeakPolarHBondContact O-CB 3.29Å; A117-C121 PolarHBondContact O-N 2.79Å; I118-C121 WeakPolarHBondContact O-CB 3.4Å; I118-C121 PolarHBondContact O-N 3.35Å; A119-C121 VanDerWaalsContact C-N 3.33Å; A119-C121 PolarHBondContact O-N 3.22Å; C121-E123 PolarHBondContact O-N 3.49Å; C121-R124 PolarHBondContact O-N 2.96Å; C121-L125 VanDerWaalsContact O-CB 3.28Å; C121-L125 WeakPolarHBondContact O-CB 3.37Å; C121-L125 VanDerWaalsContact O-CG 3.3Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 2.86Å; C121-L298 HydrophobicContact CB-CB 4.21Å; C121-L298 HydrophobicContact CB-CD1 4.28Å
122	E	98.8	Very high	98.5	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-56.3	-51.1	176	-178.5	-166.6	179.1	0	0	111.5	I118 A119 R124 G126 V132 T148 K149 N150	I118-E122 PolarHBondContact O-N 3.41Å; A119-E122 PolarHBondContact O-N 3.36Å; E122-R124 PolarHBondContact O-N 3.31Å; E122-G126 PolarHBondContact O-N 3.27Å; E122-V132 HydrophobicContact CB-CB 4.01Å; E122-V132 HydrophobicContact CB-CG1 4.38Å; E122-V132 HydrophobicContact CG-CB 4.14Å; E122-T148 VanDerWaalsContact OE2-CA 3.26Å; E122-T148 WeakPolarHBondContact OE2-CA 3.38Å; E122-T148 WeakPolarHBondContact OE2-CG2 3.39Å; E122-K149 WeakPolarHBondContact OE1-CB 3.21Å; E122-K149 PolarHBondContact OE1-N 3.05Å; E122-K149 PolarHBondContact OE2-N 3.05Å; E122-N150 VanDerWaalsContact OE1-CB 3.23Å; E122-N150 WeakPolarHBondContact OE1-CB 3.43Å; E122-N150 PolarHBondContact OE1-N 3.44Å; E122-N150 PolarHBondContact OE1-ND2 3.29Å; E122-N150 VanDerWaalsContact OE1-ND2 3.08Å
123	E	98.4	Very high	98.5	Very high	103 Å²	103	42.8 Å²	42.8	48%	0.481	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-46.3	-179.2	-171.9	-171.8	160.6	0	0	111.5	A119 C121 G126 K127	A119-E123 PolarHBondContact O-N 2.92Å; C121-E123 PolarHBondContact O-N 3.49Å; E123-G126 PolarHBondContact O-N 2.89Å; E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 2.81Å; E123-K127 WeakPolarHBondContact OE1-CE 3.31Å; E123-K127 IonicContact OE1-NZ 3.94Å; E123-K127 PolarHBondContact OE1-NZ 3.04Å
124	R	98.2	Very high	98.5	Very high	33 Å²	33	39.9 Å²	39.9	13%	0.125	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-47	-178.3	-177.2	179.9	69.8	-108.9	1	111.7	E120 C121 E122 K127 L298 E304	E120-R124 WeakPolarHBondContact O-CB 3.41Å; E120-R124 PolarHBondContact O-N 2.92Å; C121-R124 PolarHBondContact O-N 2.96Å; E122-R124 PolarHBondContact O-N 3.31Å; R124-K127 PolarHBondContact O-N 2.81Å; R124-L298 PolarHBondContact NH2-O 3.42Å; R124-E304 WeakPolarHBondContact CD-OE2 3.26Å; R124-E304 IonicContact CZ-OE2 3.52Å; R124-E304 IonicContact NE-OE1 2.74Å; R124-E304 IonicContact NE-OE2 3.32Å; R124-E304 PolarHBondContact NE-OE2 3.05Å; R124-E304 IonicContact NH2-OE1 3.96Å; R124-E304 IonicContact NH2-OE2 2.7Å
125	L	98.3	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.3	-33.4	-179.3	-68.6	-162.9	0	0	0	112.1	F44 I50 C121 K127 Q128 G129 R130 V132 E304	F44-L125 HydrophobicContact CE2-CD1 4.1Å; F44-L125 HydrophobicContact CZ-CD1 3.97Å; I50-L125 HydrophobicContact CD1-CD1 3.64Å; C121-L125 VanDerWaalsContact O-CB 3.28Å; C121-L125 WeakPolarHBondContact O-CB 3.37Å; C121-L125 VanDerWaalsContact O-CG 3.3Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 2.86Å; L125-K127 VanDerWaalsContact C-N 3.28Å; L125-K127 PolarHBondContact O-N 3.08Å; L125-Q128 CarbonylContact O-C 3.56Å; L125-Q128 WeakPolarHBondContact O-CA 3.5Å; L125-Q128 WeakPolarHBondContact O-CB 3.47Å; L125-Q128 PolarHBondContact O-N 3.13Å; L125-G129 PolarHBondContact O-N 3.08Å; L125-R130 CarbonylContact C-O 3.55Å; L125-R130 VanDerWaalsContact C-O 3.31Å; L125-R130 HydrophobicContact CB-CB 3.97Å; L125-R130 WeakPolarHBondContact O-CB 3.48Å; L125-R130 PolarHBondContact O-N 3.33Å; L125-V132 HydrophobicContact CB-CG2 4.11Å; L125-V132 HydrophobicContact CD1-CG2 3.79Å; L125-V132 HydrophobicContact CG-CG2 4.4Å; L125-E304 WeakPolarHBondContact CD2-OE2 3.32Å
126	G	98.1	Very high	98.5	Very high	45 Å²	45	40.1 Å²	40.1	46%	0.464	22%	0.217	S	C	.	.	H	α-helix	trans	-57.8	-39.2	173.3	0	0	0	0	0	112.9	E122 E123 Q128 G129 R130	E122-G126 PolarHBondContact O-N 3.27Å; E123-G126 PolarHBondContact O-N 2.89Å; G126-Q128 PolarHBondContact O-N 2.83Å; G126-G129 PolarHBondContact O-N 2.73Å; G126-G129 VanDerWaalsContact O-N 3.09Å; G126-R130 WeakPolarHBondContact CA-O 3.12Å; G126-R130 PolarHBondContact N-O 2.89Å
127	K	97.5	Very high	98.4	Very high	160 Å²	160	37 Å²	37	70%	0.696	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.2	174.6	-68	170.3	-173.6	166.5	0	113.1	E123 R124 L125	E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 2.81Å; E123-K127 WeakPolarHBondContact OE1-CE 3.31Å; E123-K127 IonicContact OE1-NZ 3.94Å; E123-K127 PolarHBondContact OE1-NZ 3.04Å; R124-K127 PolarHBondContact O-N 2.81Å; L125-K127 VanDerWaalsContact C-N 3.28Å; L125-K127 PolarHBondContact O-N 3.08Å
128	Q	96.9	Very high	98.4	Very high	54 Å²	54	37 Å²	37	25%	0.252	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	6.5	178.2	-57.9	167.1	24	0	0	112.6	L125 G126 R130 E304	L125-Q128 CarbonylContact O-C 3.56Å; L125-Q128 WeakPolarHBondContact O-CA 3.5Å; L125-Q128 WeakPolarHBondContact O-CB 3.47Å; L125-Q128 PolarHBondContact O-N 3.13Å; G126-Q128 PolarHBondContact O-N 2.83Å; Q128-R130 VanDerWaalsContact C-N 3.29Å; Q128-R130 HydrophobicContact CB-CG 4.49Å; Q128-R130 PolarHBondContact O-N 3.48Å; Q128-E304 PolarHBondContact NE2-OE2 2.94Å
129	G	97.7	Very high	98.3	Very high	73 Å²	73	37.8 Å²	37.8	75%	0.753	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	14.2	-176.8	0	0	0	0	0	114.4	L125 G126	L125-G129 PolarHBondContact O-N 3.08Å; G126-G129 PolarHBondContact O-N 2.73Å; G126-G129 VanDerWaalsContact O-N 3.09Å
130	R	98.3	Very high	98.3	Very high	19 Å²	19	38 Å²	38	7%	0.072	21%	0.205	C	C	.	.			trans	-100.3	146.1	177.5	-62.4	166.1	62.4	-169	-0.2	109.5	F44 S47 N48 L125 G126 Q128	F44-R130 PolarHBondContact O-NH2 3.41Å; S47-R130 PolarHBondContact O-NE 3.22Å; S47-R130 PolarHBondContact O-NH2 3.3Å; N48-R130 CarbonylContact O-C 3.59Å; L125-R130 CarbonylContact C-O 3.55Å; L125-R130 VanDerWaalsContact C-O 3.31Å; L125-R130 HydrophobicContact CB-CB 3.97Å; L125-R130 WeakPolarHBondContact O-CB 3.48Å; L125-R130 PolarHBondContact O-N 3.33Å; G126-R130 WeakPolarHBondContact CA-O 3.12Å; G126-R130 PolarHBondContact N-O 2.89Å; Q128-R130 VanDerWaalsContact C-N 3.29Å; Q128-R130 HydrophobicContact CB-CG 4.49Å; Q128-R130 PolarHBondContact O-N 3.48Å
131	K	98.6	Very high	98.2	Very high	98 Å²	98	32.8 Å²	32.8	43%	0.426	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.5	-176.2	-168.7	176.8	-180	-177	0	110.8	N48 N49 I50 T133	N48-K131 PolarHBondContact O-N 2.94Å; N49-K131 WeakPolarHBondContact CA-O 3.33Å; I50-K131 PolarHBondContact N-O 2.71Å; K131-T133 WeakPolarHBondContact CE-OG1 3.37Å
132	V	98.9	Very high	98.2	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.1	165.5	-175.3	0	0	0	0	107	I50 V52 E122 L125 N150	I50-V132 HydrophobicContact CB-CG2 4.29Å; I50-V132 HydrophobicContact CD1-CG2 4.41Å; I50-V132 CarbonylContact O-C 3.54Å; I50-V132 WeakPolarHBondContact O-CA 3.44Å; V52-V132 HydrophobicContact CG2-CG1 3.93Å; E122-V132 HydrophobicContact CB-CB 4.01Å; E122-V132 HydrophobicContact CB-CG1 4.38Å; E122-V132 HydrophobicContact CG-CB 4.14Å; L125-V132 HydrophobicContact CB-CG2 4.11Å; L125-V132 HydrophobicContact CD1-CG2 3.79Å; L125-V132 HydrophobicContact CG-CG2 4.4Å; V132-N150 WeakPolarHBondContact O-CB 3.36Å; V132-N150 PolarHBondContact O-ND2 3.37Å
133	T	98.9	Very high	98.2	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.2	176.5	-59.1	0	0	0	0	110.4	I50 V52 K131 N150 L152 V235	I50-T133 PolarHBondContact O-N 3.03Å; V52-T133 PolarHBondContact N-O 3.06Å; K131-T133 WeakPolarHBondContact CE-OG1 3.37Å; T133-N150 HydrophobicContact CG2-CB 4.3Å; T133-L152 HydrophobicContact CG2-CG 4.49Å; T133-V235 HydrophobicContact CG2-CG1 4.04Å; T133-V235 HydrophobicContact CG2-CG2 3.81Å
134	V	98.9	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.4	-179.2	-177.9	0	0	0	0	109.6	V52 T54 I118 T148 N150 L151 L152	V52-V134 HydrophobicContact CB-CG2 4.26Å; V52-V134 CarbonylContact O-C 2.91Å; V52-V134 WeakPolarHBondContact O-CA 3.38Å; T54-V134 HydrophobicContact CG2-CG1 4.26Å; I118-V134 HydrophobicContact CG2-CG2 3.44Å; I118-V134 VanDerWaalsContact CG2-CG2 3.44Å; V134-T148 HydrophobicContact CB-CG2 3.97Å; V134-T148 HydrophobicContact CG2-CG2 3.53Å; V134-N150 PolarHBondContact N-O 3.25Å; V134-L151 HydrophobicContact CB-CD1 3.81Å; V134-L151 HydrophobicContact CG1-CD1 3.7Å; V134-L152 PolarHBondContact O-N 3.38Å
135	I	98.8	Very high	98.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	100.6	174.1	-52.3	174.2	0	0	0	106.6	V52 I53 T54 L152 I154 A232 V235 L236 F257	V52-I135 PolarHBondContact O-N 2.95Å; I53-I135 VanDerWaalsContact CA-O 3.29Å; I53-I135 WeakPolarHBondContact CA-O 3.38Å; I53-I135 HydrophobicContact CG1-CB 4.41Å; T54-I135 PolarHBondContact N-O 2.94Å; I135-L152 HydrophobicContact CG1-CD1 4.3Å; I135-I154 HydrophobicContact CG2-CD1 4.42Å; I135-I154 HydrophobicContact CG2-CG2 3.57Å; I135-A232 HydrophobicContact CD1-CB 4.18Å; I135-A232 HydrophobicContact CG2-CB 4.29Å; I135-V235 HydrophobicContact CD1-CB 4.32Å; I135-V235 HydrophobicContact CD1-CG1 4.03Å; I135-L236 HydrophobicContact CD1-CD1 4.4Å; I135-L236 HydrophobicContact CD1-CD2 3.93Å; I135-L236 HydrophobicContact CD1-CG 3.92Å; I135-F257 HydrophobicContact CG2-CD2 4.37Å; I135-F257 HydrophobicContact CG2-CE2 4.22Å
136	T	98.6	Very high	98.3	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.6	-173.1	-173.6	0	0	0	0	112.3	T54 N138 L151 L152 E153 I154	T54-T136 VanDerWaalsContact OG1-CB 3.31Å; T54-T136 WeakPolarHBondContact OG1-CB 3.37Å; T54-T136 PolarHBondContact OG1-OG1 3.02Å; T136-N138 WeakPolarHBondContact OG1-CB 3.38Å; T136-N138 PolarHBondContact OG1-N 2.89Å; T136-L151 HydrophobicContact CG2-CD1 3.75Å; T136-L152 PolarHBondContact N-O 3.26Å; T136-E153 HydrophobicContact CG2-CB 4.41Å; T136-E153 HydrophobicContact CG2-CG 3.98Å; T136-I154 WeakPolarHBondContact O-CG1 3.25Å; T136-I154 PolarHBondContact O-N 3.43Å; T136-I154 VanDerWaalsContact O-N 3.13Å
137	Q	97.9	Very high	98.3	Very high	23 Å²	23	36 Å²	36	11%	0.107	21%	0.205	C	C	.	.			trans	-75.6	-14.8	167.9	-66.9	167.3	62.9	0	0	112.1	T54 I154 H155 T247 A254	T54-Q137 WeakPolarHBondContact O-CB 3.32Å; T54-Q137 PolarHBondContact O-N 3.34Å; Q137-I154 HydrophobicContact CG-CD1 3.97Å; Q137-I154 HydrophobicContact CG-CG1 4.49Å; Q137-H155 PolarHBondContact O-ND1 2.85Å; Q137-T247 PolarHBondContact NE2-OG1 2.93Å; Q137-A254 HydrophobicContact CG-CB 3.7Å
138	N	97.5	Very high	98.4	Very high	11 Å²	11	28.8 Å²	28.8	6%	0.059	18%	0.175	C	C	.	.			trans	-78.7	148.4	-175.2	-60.8	-14.3	0	0	0	110.9	G55 A56 V58 S59 T136	G55-N138 WeakPolarHBondContact CA-OD1 3.23Å; G55-N138 PolarHBondContact O-ND2 3.47Å; G55-N138 PolarHBondContact O-OD1 2.95Å; A56-N138 VanDerWaalsContact CA-OD1 3.27Å; A56-N138 WeakPolarHBondContact CA-OD1 3.41Å; A56-N138 PolarHBondContact N-OD1 3.47Å; V58-N138 WeakPolarHBondContact CG1-ND2 3.21Å; S59-N138 PolarHBondContact OG-ND2 3.37Å; S59-N138 VanDerWaalsContact OG-ND2 3.13Å; T136-N138 WeakPolarHBondContact OG1-CB 3.38Å; T136-N138 PolarHBondContact OG1-N 2.89Å
139	I	97.6	Very high	98.4	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.087	20%	0.197	C	C	.	.			trans	-111.4	17.9	179.5	59.3	167.2	0	0	0	111.5	Y99 H155 G156 L158 V217	Y99-I139 HydrophobicContact CE1-CD1 4.39Å; I139-H155 HydrophobicContact CG2-CB 3.84Å; I139-H155 WeakPolarHBondContact CG2-O 3.48Å; I139-G156 WeakPolarHBondContact CG2-O 3.3Å; I139-L158 HydrophobicContact CB-CG 4.33Å; I139-L158 HydrophobicContact CD1-CD1 4.4Å; I139-L158 HydrophobicContact CD1-CD2 3.57Å; I139-L158 HydrophobicContact CD1-CG 3.64Å; I139-L158 HydrophobicContact CG1-CD1 4.25Å; I139-L158 HydrophobicContact CG1-CD2 4.27Å; I139-L158 HydrophobicContact CG1-CG 3.77Å; I139-L158 WeakPolarHBondContact O-CB 3.29Å; I139-L158 VanDerWaalsContact O-CG 3.28Å; I139-L158 WeakPolarHBondContact O-CG 3.22Å; I139-L158 PolarHBondContact O-N 2.7Å; I139-V217 HydrophobicContact CB-CG1 4.37Å; I139-V217 HydrophobicContact CD1-CB 4.49Å; I139-V217 HydrophobicContact CD1-CG1 3.89Å; I139-V217 HydrophobicContact CG2-CG1 4.26Å
140	D	98	Very high	98.5	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.064	18%	0.178	C	C	.	.	S	Bend	trans	-95.1	-10.4	-167.9	62	22.6	0	0	0	114.3	S59 M106 L142	S59-D140 VanDerWaalsContact CB-OD2 3.32Å; S59-D140 WeakPolarHBondContact CB-OD2 3.21Å; S59-D140 PolarHBondContact OG-OD2 3.16Å; M106-D140 HydrophobicContact CE-CB 3.65Å; M106-D140 HydrophobicContact SD-CB 3.91Å; D140-L142 HydrophobicContact CB-CG 4.34Å; D140-L142 PolarHBondContact O-N 2.98Å; D140-L142 PolarHBondContact OD1-N 3.31Å
141	E	98.5	Very high	98.5	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.033	18%	0.181	C	C	.	.			trans	60.6	13.7	-176	-55.8	-166.5	165.9	0	0	115.6	H143 R144 C145 S157 F159 Y173	E141-H143 VanDerWaalsContact C-N 3.33Å; E141-H143 PolarHBondContact O-N 3.02Å; E141-R144 HydrophobicContact CB-CB 4.31Å; E141-R144 WeakPolarHBondContact O-CA 3.49Å; E141-R144 WeakPolarHBondContact O-CB 3.41Å; E141-R144 PolarHBondContact O-N 2.81Å; E141-C145 PolarHBondContact O-N 3.36Å; E141-C145 PolarHBondContact O-SG 3.16Å; E141-S157 VanDerWaalsContact CD-OG 3.22Å; E141-S157 WeakPolarHBondContact CG-OG 3.39Å; E141-S157 WeakPolarHBondContact OE1-CB 3.05Å; E141-S157 PolarHBondContact OE1-OG 2.93Å; E141-F159 HydrophobicContact CB-CD2 4.49Å; E141-F159 HydrophobicContact CG-CD2 4.07Å; E141-Y173 PolarHBondContact OE1-OH 2.96Å; E141-Y173 VanDerWaalsContact OE2-CE1 3.27Å; E141-Y173 WeakPolarHBondContact OE2-CE1 3.31Å; E141-Y173 PolarHBondContact OE2-OH 3.34Å
142	L	98.8	Very high	98.5	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-32.1	-177	-70.3	-176.3	0	0	0	113.4	V64 M106 P111 D140 R144 C145 A146	V64-L142 HydrophobicContact CG2-CD1 3.85Å; M106-L142 HydrophobicContact CE-CD1 4.18Å; M106-L142 HydrophobicContact CE-CD2 3.82Å; M106-L142 HydrophobicContact CE-CG 3.85Å; P111-L142 WeakPolarHBondContact CG-O 3.47Å; D140-L142 HydrophobicContact CB-CG 4.34Å; D140-L142 PolarHBondContact O-N 2.98Å; D140-L142 PolarHBondContact OD1-N 3.31Å; L142-R144 VanDerWaalsContact C-N 3.34Å; L142-C145 PolarHBondContact O-N 3.29Å; L142-A146 WeakPolarHBondContact O-CB 3.16Å; L142-A146 PolarHBondContact O-N 3.01Å
143	H	98.8	Very high	98.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-40.4	170.9	-75.9	-61.9	0	0	0	112.2	T54 H115 E141 A146 G147 T148 L151	T54-H143 PolarHBondContact OG1-NE2 3.49Å; H115-H143 AromaticContact CD2-CE1 3.61Å; H115-H143 AromaticContact CD2-CG 3.92Å; H115-H143 AromaticContact CD2-ND1 3.56Å; E141-H143 VanDerWaalsContact C-N 3.33Å; E141-H143 PolarHBondContact O-N 3.02Å; H143-A146 PolarHBondContact O-N 3.13Å; H143-G147 PolarHBondContact O-N 3.04Å; H143-T148 WeakPolarHBondContact O-CB 3.27Å; H143-T148 PolarHBondContact O-N 3.05Å; H143-T148 PolarHBondContact O-OG1 3.43Å; H143-T148 VanDerWaalsContact O-OG1 3.07Å; H143-L151 HydrophobicContact CB-CD1 3.8Å; H143-L151 HydrophobicContact CB-CD2 4.03Å
144	R	98.4	Very high	98.4	Very high	104 Å²	104	31.5 Å²	31.5	39%	0.392	17%	0.17	S	C	.	.	H	α-helix	trans	-63.9	-46.4	176.1	178.9	-177	-59.2	-71.7	-2.2	110.3	E141 L142 A146 G147 L151 E153	E141-R144 HydrophobicContact CB-CB 4.31Å; E141-R144 WeakPolarHBondContact O-CA 3.49Å; E141-R144 WeakPolarHBondContact O-CB 3.41Å; E141-R144 PolarHBondContact O-N 2.81Å; L142-R144 VanDerWaalsContact C-N 3.34Å; R144-A146 VanDerWaalsContact C-N 3.25Å; R144-A146 PolarHBondContact O-N 3.22Å; R144-G147 PolarHBondContact O-N 3.12Å; R144-L151 HydrophobicContact CB-CD2 4.04Å; R144-E153 IonicContact CZ-OE1 3.66Å; R144-E153 IonicContact CZ-OE2 3.96Å; R144-E153 IonicContact NE-OE1 2.77Å; R144-E153 VanDerWaalsContact NH2-CD 3.3Å; R144-E153 IonicContact NH2-OE1 3.66Å; R144-E153 PolarHBondContact NH2-OE1 3.39Å; R144-E153 IonicContact NH2-OE2 3.05Å; R144-E153 PolarHBondContact NH2-OE2 3.21Å
145	C	98.2	Very high	98.4	Very high	89 Å²	89	32.8 Å²	32.8	60%	0.601	18%	0.176	S	C	*	.	H	α-helix	trans	-62.6	-30.7	175.7	-66.9	0	0	0	0	112.9	P111 E141 L142 G147	P111-C145 HydrophobicContact CG-CB 3.67Å; E141-C145 PolarHBondContact O-N 3.36Å; E141-C145 PolarHBondContact O-SG 3.16Å; L142-C145 PolarHBondContact O-N 3.29Å; C145-G147 PolarHBondContact O-N 3.31Å
146	A	98.7	Very high	98.3	Very high	24 Å²	24	33.6 Å²	33.6	20%	0.198	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.6	174.9	0	0	0	0	0	113.8	P111 H115 A119 L142 H143 R144	P111-A146 HydrophobicContact CB-CB 3.81Å; P111-A146 HydrophobicContact CG-CB 4.02Å; H115-A146 HydrophobicContact CB-CB 3.73Å; A119-A146 HydrophobicContact CB-CB 4.16Å; A119-A146 WeakPolarHBondContact CB-O 3.29Å; L142-A146 WeakPolarHBondContact O-CB 3.16Å; L142-A146 PolarHBondContact O-N 3.01Å; H143-A146 PolarHBondContact O-N 3.13Å; R144-A146 VanDerWaalsContact C-N 3.25Å; R144-A146 PolarHBondContact O-N 3.22Å
147	G	98.6	Very high	98.3	Very high	42 Å²	42	33.4 Å²	33.4	43%	0.433	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	10.6	-178.8	0	0	0	0	0	114.9	H143 R144 C145 K149	H143-G147 PolarHBondContact O-N 3.04Å; R144-G147 PolarHBondContact O-N 3.12Å; C145-G147 PolarHBondContact O-N 3.31Å; G147-K149 PolarHBondContact O-N 3.41Å
148	T	98.9	Very high	98.3	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.055	18%	0.18	C	C	.	.			trans	-61.4	128.6	173	-56.2	0	0	0	0	109.7	E122 V134 H143 L151	E122-T148 VanDerWaalsContact OE2-CA 3.26Å; E122-T148 WeakPolarHBondContact OE2-CA 3.38Å; E122-T148 WeakPolarHBondContact OE2-CG2 3.39Å; V134-T148 HydrophobicContact CB-CG2 3.97Å; V134-T148 HydrophobicContact CG2-CG2 3.53Å; H143-T148 WeakPolarHBondContact O-CB 3.27Å; H143-T148 PolarHBondContact O-N 3.05Å; H143-T148 PolarHBondContact O-OG1 3.43Å; H143-T148 VanDerWaalsContact O-OG1 3.07Å; T148-L151 HydrophobicContact CG2-CB 4.11Å; T148-L151 HydrophobicContact CG2-CD1 4.32Å
149	K	98.6	Very high	98.3	Very high	166 Å²	166	32.5 Å²	32.5	72%	0.722	18%	0.179	S	C	*	.			trans	-102.6	-46.2	-175.9	-59	178.7	-176.9	171.5	0	112	E122 G147 L151	E122-K149 WeakPolarHBondContact OE1-CB 3.21Å; E122-K149 PolarHBondContact OE1-N 3.05Å; E122-K149 PolarHBondContact OE2-N 3.05Å; G147-K149 PolarHBondContact O-N 3.41Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-L151 PolarHBondContact O-N 3.17Å
150	N	98.6	Very high	98.4	Very high	65 Å²	65	34.7 Å²	34.7	35%	0.348	19%	0.188	S	C	.	.	S	Bend	trans	-82.5	75.3	177.2	-63.4	-32.7	0	0	0	109.6	E122 V132 T133 V134	E122-N150 VanDerWaalsContact OE1-CB 3.23Å; E122-N150 WeakPolarHBondContact OE1-CB 3.43Å; E122-N150 PolarHBondContact OE1-N 3.44Å; E122-N150 PolarHBondContact OE1-ND2 3.29Å; E122-N150 VanDerWaalsContact OE1-ND2 3.08Å; V132-N150 WeakPolarHBondContact O-CB 3.36Å; V132-N150 PolarHBondContact O-ND2 3.37Å; T133-N150 HydrophobicContact CG2-CB 4.3Å; V134-N150 PolarHBondContact N-O 3.25Å
151	L	98.8	Very high	98.4	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.136	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.3	-171	-177.5	64.1	0	0	0	112.1	V134 T136 H143 R144 T148 K149 E153	V134-L151 HydrophobicContact CB-CD1 3.81Å; V134-L151 HydrophobicContact CG1-CD1 3.7Å; T136-L151 HydrophobicContact CG2-CD1 3.75Å; H143-L151 HydrophobicContact CB-CD1 3.8Å; H143-L151 HydrophobicContact CB-CD2 4.03Å; R144-L151 HydrophobicContact CB-CD2 4.04Å; T148-L151 HydrophobicContact CG2-CB 4.11Å; T148-L151 HydrophobicContact CG2-CD1 4.32Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-L151 PolarHBondContact O-N 3.17Å; L151-E153 HydrophobicContact CD2-CG 4.04Å; L151-E153 HydrophobicContact CG-CG 4.06Å
152	L	98.6	Very high	98.4	Very high	34 Å²	34	37.8 Å²	37.8	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	106.2	171.6	-58	-177.4	0	0	0	109.8	T133 V134 I135 T136 I154 E231 A232 V235	T133-L152 HydrophobicContact CG2-CG 4.49Å; V134-L152 PolarHBondContact O-N 3.38Å; I135-L152 HydrophobicContact CG1-CD1 4.3Å; T136-L152 PolarHBondContact N-O 3.26Å; L152-I154 HydrophobicContact CB-CG2 4.4Å; L152-I154 PolarHBondContact O-N 2.81Å; L152-E231 HydrophobicContact CD1-CB 4.16Å; L152-E231 HydrophobicContact CD2-CB 4.42Å; L152-A232 HydrophobicContact CD1-CB 4.05Å; L152-V235 HydrophobicContact CD1-CG2 4.42Å
153	E	98.4	Very high	98.4	Very high	17 Å²	17	37.7 Å²	37.7	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	79.4	178	-65.5	170.2	145.7	0	0	110.1	T136 R144 L151 H155 G156 K160	T136-E153 HydrophobicContact CG2-CB 4.41Å; T136-E153 HydrophobicContact CG2-CG 3.98Å; R144-E153 IonicContact CZ-OE1 3.66Å; R144-E153 IonicContact CZ-OE2 3.96Å; R144-E153 IonicContact NE-OE1 2.77Å; R144-E153 VanDerWaalsContact NH2-CD 3.3Å; R144-E153 IonicContact NH2-OE1 3.66Å; R144-E153 PolarHBondContact NH2-OE1 3.39Å; R144-E153 IonicContact NH2-OE2 3.05Å; R144-E153 PolarHBondContact NH2-OE2 3.21Å; L151-E153 HydrophobicContact CD2-CG 4.04Å; L151-E153 HydrophobicContact CG-CG 4.06Å; E153-H155 PolarHBondContact O-N 3.19Å; E153-H155 VanDerWaalsContact O-N 3.08Å; E153-G156 PolarHBondContact O-N 2.95Å; E153-K160 IonicContact OE2-NZ 3.76Å
154	I	97.9	Very high	98.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.8	-165.8	68.8	171.4	0	0	0	114.7	I135 T136 Q137 L152 L224 I228 A254 F257	I135-I154 HydrophobicContact CG2-CD1 4.42Å; I135-I154 HydrophobicContact CG2-CG2 3.57Å; T136-I154 WeakPolarHBondContact O-CG1 3.25Å; T136-I154 PolarHBondContact O-N 3.43Å; T136-I154 VanDerWaalsContact O-N 3.13Å; Q137-I154 HydrophobicContact CG-CD1 3.97Å; Q137-I154 HydrophobicContact CG-CG1 4.49Å; L152-I154 HydrophobicContact CB-CG2 4.4Å; L152-I154 PolarHBondContact O-N 2.81Å; I154-L224 HydrophobicContact CB-CD2 4.02Å; I154-L224 HydrophobicContact CD1-CD2 4.18Å; I154-L224 HydrophobicContact CG1-CD2 4.33Å; I154-I228 HydrophobicContact CB-CG2 4.33Å; I154-I228 HydrophobicContact CG2-CG2 3.88Å; I154-A254 HydrophobicContact CD1-CB 3.82Å; I154-F257 HydrophobicContact CD1-CE2 3.84Å
155	H	97.6	Very high	98.3	Very high	28 Å²	28	44.1 Å²	44.1	13%	0.13	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	13.2	175.8	-62.7	150.8	0	0	0	113.4	Q137 I139 E153 V217 V218	Q137-H155 PolarHBondContact O-ND1 2.85Å; I139-H155 HydrophobicContact CG2-CB 3.84Å; I139-H155 WeakPolarHBondContact CG2-O 3.48Å; E153-H155 PolarHBondContact O-N 3.19Å; E153-H155 VanDerWaalsContact O-N 3.08Å; H155-V217 CarbonylContact O-C 3.59Å; H155-V217 WeakPolarHBondContact O-CA 3.36Å; H155-V218 HydrophobicContact CB-CB 4.41Å; H155-V218 PolarHBondContact O-N 2.93Å
156	G	97.4	Very high	98.2	Very high	18 Å²	18	43.2 Å²	43.2	19%	0.186	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.5	-151.4	179.9	0	0	0	0	0	113.8	I139 E153 A216	I139-G156 WeakPolarHBondContact CG2-O 3.3Å; E153-G156 PolarHBondContact O-N 2.95Å; G156-A216 WeakPolarHBondContact CA-O 3.48Å
157	S	98.2	Very high	98.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143	-174.8	166.4	0	0	0	0	113.3	E141 F159 K160 A216 V217	E141-S157 VanDerWaalsContact CD-OG 3.22Å; E141-S157 WeakPolarHBondContact CG-OG 3.39Å; E141-S157 WeakPolarHBondContact OE1-CB 3.05Å; E141-S157 PolarHBondContact OE1-OG 2.93Å; S157-F159 PolarHBondContact O-N 3.28Å; S157-F159 PolarHBondContact OG-N 3.37Å; S157-K160 PolarHBondContact O-N 2.64Å; S157-A216 PolarHBondContact N-O 3.37Å; S157-A216 VanDerWaalsContact N-O 3.09Å; S157-V217 VanDerWaalsContact O-CG1 3.32Å; S157-V217 WeakPolarHBondContact O-CG1 3.49Å
158	L	97.8	Very high	98.1	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	-24.9	169.3	-75.5	173.1	0	0	0	113.1	Y99 R102 R103 M106 I139	Y99-L158 HydrophobicContact CD1-CD2 3.51Å; Y99-L158 HydrophobicContact CE1-CD2 3.88Å; R102-L158 HydrophobicContact CB-CD1 4.17Å; R102-L158 HydrophobicContact CB-CD2 4.17Å; R103-L158 HydrophobicContact CG-CB 4.3Å; R103-L158 WeakPolarHBondContact CG-O 3.47Å; R103-L158 PolarHBondContact NH1-O 2.94Å; M106-L158 HydrophobicContact CG-CD1 3.78Å; I139-L158 HydrophobicContact CB-CG 4.33Å; I139-L158 HydrophobicContact CD1-CD1 4.4Å; I139-L158 HydrophobicContact CD1-CD2 3.57Å; I139-L158 HydrophobicContact CD1-CG 3.64Å; I139-L158 HydrophobicContact CG1-CD1 4.25Å; I139-L158 HydrophobicContact CG1-CD2 4.27Å; I139-L158 HydrophobicContact CG1-CG 3.77Å; I139-L158 WeakPolarHBondContact O-CB 3.29Å; I139-L158 VanDerWaalsContact O-CG 3.28Å; I139-L158 WeakPolarHBondContact O-CG 3.22Å; I139-L158 PolarHBondContact O-N 2.7Å
159	F	98.4	Very high	98	Very high	11 Å²	11	48.8 Å²	48.8	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	20.3	-177.2	-58.2	-73.7	0	0	0	112.9	R103 M106 L107 E141 S157 A171 N172 Y173	R103-F159 HydrophobicContact CB-CE1 4.25Å; R103-F159 HydrophobicContact CG-CE1 4.36Å; M106-F159 HydrophobicContact CB-CE2 3.99Å; M106-F159 HydrophobicContact CB-CZ 3.66Å; L107-F159 HydrophobicContact CD2-CE1 3.89Å; L107-F159 HydrophobicContact CD2-CZ 4.2Å; L107-F159 HydrophobicContact CG-CE1 4.22Å; L107-F159 HydrophobicContact CG-CZ 4.44Å; E141-F159 HydrophobicContact CB-CD2 4.49Å; E141-F159 HydrophobicContact CG-CD2 4.07Å; S157-F159 PolarHBondContact O-N 3.28Å; S157-F159 PolarHBondContact OG-N 3.37Å; F159-A171 CarbonylContact O-C 3.47Å; F159-A171 WeakPolarHBondContact O-CA 3.49Å; F159-N172 PolarHBondContact O-N 3.02Å; F159-Y173 HydrophobicContact CB-CD1 3.65Å; F159-Y173 HydrophobicContact CB-CE1 3.3Å; F159-Y173 HydrophobicContact CB-CG 4.41Å; F159-Y173 AromaticContact CD1-CD1 3.6Å; F159-Y173 HydrophobicContact CD1-CD1 3.6Å; F159-Y173 HydrophobicContact CD1-CE1 4.01Å; F159-Y173 HydrophobicContact CD1-CG 4.46Å; F159-Y173 HydrophobicContact CD2-CD1 4.4Å; F159-Y173 HydrophobicContact CD2-CE1 4.02Å; F159-Y173 HydrophobicContact CE1-CD1 4.33Å; F159-Y173 AromaticContact CG-CD1 3.63Å; F159-Y173 HydrophobicContact CG-CD1 3.63Å; F159-Y173 AromaticContact CG-CE1 3.52Å; F159-Y173 HydrophobicContact CG-CE1 3.52Å
160	K	98.5	Very high	97.9	Very high	62 Å²	62	43.8 Å²	43.8	27%	0.27	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.3	167.7	-69.2	177.7	-175.8	165	0	110.8	E153 S157 E170 A216	E153-K160 IonicContact OE2-NZ 3.76Å; S157-K160 PolarHBondContact O-N 2.64Å; K160-E170 CarbonylContact C-O 3.53Å; K160-E170 WeakPolarHBondContact CA-O 3.47Å; K160-A216 HydrophobicContact CB-CB 3.69Å; K160-A216 PolarHBondContact O-N 3.24Å
161	T	98.6	Very high	97.9	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.4	176.8	50.4	0	0	0	0	111	W96 E169 E170 N172 I177 L213 R214	W96-T161 HydrophobicContact CH2-CG2 4.01Å; T161-E169 VanDerWaalsContact O-CA 3.23Å; T161-E169 WeakPolarHBondContact O-CA 3.45Å; T161-E170 PolarHBondContact N-O 3.33Å; T161-E170 PolarHBondContact O-N 3.17Å; T161-E170 VanDerWaalsContact O-N 3.09Å; T161-N172 HydrophobicContact CG2-CB 4.17Å; T161-I177 HydrophobicContact CG2-CD1 3.85Å; T161-L213 HydrophobicContact CG2-CD1 4.34Å; T161-R214 CarbonylContact C-O 3.59Å; T161-R214 WeakPolarHBondContact CA-O 3.4Å
162	R	98.5	Very high	97.9	Very high	82 Å²	82	42.9 Å²	42.9	31%	0.309	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.9	174.7	-176.9	-176.2	-68.3	171.7	-3.7	109.5	H168 E169 L213 R214 A216	R162-H168 CarbonylContact C-O 3.6Å; R162-H168 WeakPolarHBondContact CA-O 3.42Å; R162-E169 HydrophobicContact CB-CG 3.85Å; R162-E169 HydrophobicContact CG-CG 3.9Å; R162-E169 IonicContact CZ-OE1 3.88Å; R162-E169 IonicContact NE-OE1 3.06Å; R162-E169 PolarHBondContact NE-OE1 3.32Å; R162-E169 IonicContact NH2-OE1 2.68Å; R162-E169 PolarHBondContact NH2-OE1 2.92Å; R162-L213 WeakPolarHBondContact O-CA 3.4Å; R162-R214 HydrophobicContact CB-CG 4.12Å; R162-R214 PolarHBondContact N-O 2.68Å; R162-R214 WeakPolarHBondContact O-CG 3.31Å; R162-R214 PolarHBondContact O-N 2.92Å; R162-A216 HydrophobicContact CB-CB 4.06Å
163	C	98.5	Very high	97.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.02	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.2	174.2	-177	0	0	0	0	111.6	M165 C166 G167 H168 C204 C209 L213	C163-M165 PolarHBondContact O-N 2.94Å; C163-M165 PolarHBondContact SG-N 3.3Å; C163-M165 VanDerWaalsContact SG-N 3.38Å; C163-C166 VanDerWaalsContact SG-SG 3.61Å; C163-G167 VanDerWaalsContact O-CA 3.26Å; C163-G167 WeakPolarHBondContact O-CA 3.26Å; C163-G167 PolarHBondContact O-N 3.3Å; C163-H168 PolarHBondContact N-O 2.73Å; C163-C204 HydrophobicContact CB-CB 3.99Å; C163-C204 WeakPolarHBondContact SG-CB 3.29Å; C163-C209 VanDerWaalsContact SG-SG 3.61Å; C163-L213 HydrophobicContact CB-CD2 3.81Å
164	M	97.3	Very high	97.8	Very high	106 Å²	106	50.7 Å²	50.7	52%	0.522	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.1	177.8	-64.3	-63.5	-73.2	0	0	114.2	F88 L212 R214	F88-M164 HydrophobicContact CE1-CG 4.36Å; M164-L212 VanDerWaalsContact CB-O 3.27Å; M164-L212 WeakPolarHBondContact CB-O 3.2Å; M164-L212 VanDerWaalsContact CG-O 3.3Å; M164-L212 WeakPolarHBondContact CG-O 3.24Å; M164-L212 PolarHBondContact N-O 3.24Å; M164-R214 HydrophobicContact CG-CB 4.44Å; M164-R214 HydrophobicContact CG-CG 4.2Å; M164-R214 HydrophobicContact SD-CB 4.22Å; M164-R214 WeakPolarHBondContact SD-CD 3.48Å; M164-R214 HydrophobicContact SD-CG 3.6Å
165	M	97.4	Very high	97.8	Very high	135 Å²	135	53.9 Å²	53.9	67%	0.665	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-51.7	-178.3	-177.1	-178.9	-74.4	0	0	112.2	C163	C163-M165 PolarHBondContact O-N 2.94Å; C163-M165 PolarHBondContact SG-N 3.3Å; C163-M165 VanDerWaalsContact SG-N 3.38Å
166	C	97.5	Very high	97.8	Very high	69 Å²	69	54.3 Å²	54.3	47%	0.466	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-2.2	-176.2	69	0	0	0	0	114.1	C163 H168 C209	C163-C166 VanDerWaalsContact SG-SG 3.61Å; C166-H168 PolarHBondContact O-N 3.04Å; C166-H168 VanDerWaalsContact O-N 3.11Å; C166-H168 VanDerWaalsContact SG-CB 3.58Å; C166-C209 VanDerWaalsContact SG-SG 3.65Å
167	G	97.1	Very high	97.8	Very high	48 Å²	48	54 Å²	54	50%	0.495	29%	0.287	S	S	.	.			trans	71.8	-3.1	-179.5	0	0	0	0	0	115.2	C163 E169	C163-G167 VanDerWaalsContact O-CA 3.26Å; C163-G167 WeakPolarHBondContact O-CA 3.26Å; C163-G167 PolarHBondContact O-N 3.3Å; G167-E169 PolarHBondContact O-N 3.41Å
168	H	97.7	Very high	97.8	Very high	62 Å²	62	55.1 Å²	55.1	29%	0.287	29%	0.294	S	S	.	.			trans	-60	132.5	-178.5	-174.3	58.3	0	0	0	111.4	R162 C163 C166 E170 R206	R162-H168 CarbonylContact C-O 3.6Å; R162-H168 WeakPolarHBondContact CA-O 3.42Å; C163-H168 PolarHBondContact N-O 2.73Å; C166-H168 PolarHBondContact O-N 3.04Å; C166-H168 VanDerWaalsContact O-N 3.11Å; C166-H168 VanDerWaalsContact SG-CB 3.58Å; H168-E170 IonicContact NE2-OE2 2.7Å; H168-R206 HydrophobicContact CB-CG 4.27Å
169	E	97.5	Very high	97.9	Very high	83 Å²	83	59.7 Å²	59.7	39%	0.388	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.5	171.6	-70	-170.3	-164.3	0	0	111.6	T161 R162 G167 A216	T161-E169 VanDerWaalsContact O-CA 3.23Å; T161-E169 WeakPolarHBondContact O-CA 3.45Å; R162-E169 HydrophobicContact CB-CG 3.85Å; R162-E169 HydrophobicContact CG-CG 3.9Å; R162-E169 IonicContact CZ-OE1 3.88Å; R162-E169 IonicContact NE-OE1 3.06Å; R162-E169 PolarHBondContact NE-OE1 3.32Å; R162-E169 IonicContact NH2-OE1 2.68Å; R162-E169 PolarHBondContact NH2-OE1 2.92Å; G167-E169 PolarHBondContact O-N 3.41Å; E169-A216 HydrophobicContact CG-CB 4.4Å
170	E	96.4	Very high	97.8	Very high	60 Å²	60	60.5 Å²	60.5	28%	0.28	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.9	175.4	66	-172.2	163.4	0	0	111.4	K160 T161 H168	K160-E170 CarbonylContact C-O 3.53Å; K160-E170 WeakPolarHBondContact CA-O 3.47Å; T161-E170 PolarHBondContact N-O 3.33Å; T161-E170 PolarHBondContact O-N 3.17Å; T161-E170 VanDerWaalsContact O-N 3.09Å; H168-E170 IonicContact NE2-OE2 2.7Å
171	A	98.1	Very high	97.8	Very high	60 Å²	60	57.5 Å²	57.5	50%	0.496	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	137.7	169.6	0	0	0	0	0	109.8	F159 Y173	F159-A171 CarbonylContact O-C 3.47Å; F159-A171 WeakPolarHBondContact O-CA 3.49Å; A171-Y173 HydrophobicContact CB-CD2 4.48Å; A171-Y173 HydrophobicContact CB-CE2 3.88Å
172	N	98.3	Very high	97.8	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.064	35%	0.352	C	S	.	.			trans	-142.9	106.4	-179.4	-172.9	-40.9	0	0	0	109.8	R103 F159 T161 K174	R103-N172 VanDerWaalsContact CZ-O 3.27Å; R103-N172 PolarHBondContact NH1-O 2.89Å; R103-N172 PolarHBondContact NH2-O 2.86Å; R103-N172 PolarHBondContact NH2-OD1 3.42Å; F159-N172 PolarHBondContact O-N 3.02Å; T161-N172 HydrophobicContact CG2-CB 4.17Å; N172-K174 WeakPolarHBondContact OD1-CB 3.18Å; N172-K174 PolarHBondContact OD1-N 2.94Å
173	Y	97.8	Very high	97.6	Very high	117 Å²	117	63.4 Å²	63.4	46%	0.459	37%	0.373	S	S	.	.			trans	-105.7	13.7	176.4	-60.5	-87.3	0	0	0	112.6	E141 F159 A171 S175	E141-Y173 PolarHBondContact OE1-OH 2.96Å; E141-Y173 VanDerWaalsContact OE2-CE1 3.27Å; E141-Y173 WeakPolarHBondContact OE2-CE1 3.31Å; E141-Y173 PolarHBondContact OE2-OH 3.34Å; F159-Y173 HydrophobicContact CB-CD1 3.65Å; F159-Y173 HydrophobicContact CB-CE1 3.3Å; F159-Y173 HydrophobicContact CB-CG 4.41Å; F159-Y173 AromaticContact CD1-CD1 3.6Å; F159-Y173 HydrophobicContact CD1-CD1 3.6Å; F159-Y173 HydrophobicContact CD1-CE1 4.01Å; F159-Y173 HydrophobicContact CD1-CG 4.46Å; F159-Y173 HydrophobicContact CD2-CD1 4.4Å; F159-Y173 HydrophobicContact CD2-CE1 4.02Å; F159-Y173 HydrophobicContact CE1-CD1 4.33Å; F159-Y173 AromaticContact CG-CD1 3.63Å; F159-Y173 HydrophobicContact CG-CD1 3.63Å; F159-Y173 AromaticContact CG-CE1 3.52Å; F159-Y173 HydrophobicContact CG-CE1 3.52Å; A171-Y173 HydrophobicContact CB-CD2 4.48Å; A171-Y173 HydrophobicContact CB-CE2 3.88Å; Y173-S175 PolarHBondContact O-N 3.01Å
174	K	97.9	Very high	97.5	Very high	99 Å²	99	69.6 Å²	69.6	43%	0.43	40%	0.396	S	S	.	.			trans	-62.2	134.8	179	-61.1	-179.2	-173.1	178.6	0	109.9	R103 N172 P176 I177 E205	R103-K174 PolarHBondContact NH2-O 2.86Å; N172-K174 WeakPolarHBondContact OD1-CB 3.18Å; N172-K174 PolarHBondContact OD1-N 2.94Å; K174-P176 CarbonylContact C-O 3.51Å; K174-P176 CarbonylContact O-C 3.57Å; K174-I177 PolarHBondContact O-N 2.81Å; K174-E205 IonicContact NZ-OE1 2.69Å; K174-E205 PolarHBondContact NZ-OE1 3.41Å; K174-E205 IonicContact NZ-OE2 3.24Å; K174-E205 PolarHBondContact NZ-OE2 3.42Å
175	S	97.2	Very high	97.3	Very high	70 Å²	70	64.7 Å²	64.7	49%	0.49	37%	0.372	S	S	.	.	S	Bend	trans	-126.8	115.6	171.7	168	0	0	0	0	108.6	E104 Y173	E104-S175 VanDerWaalsContact CD-OG 3.3Å; E104-S175 PolarHBondContact OE1-OG 3.47Å; E104-S175 PolarHBondContact OE2-OG 3Å; Y173-S175 PolarHBondContact O-N 3.01Å
176	P	98.1	Very high	97.1	Very high	38 Å²	38	60.7 Å²	60.7	25%	0.247	36%	0.361	C	S	.	.	S	Bend	cis	-67	160.7	-12.4	32.8	-36.7	0	0	0	111.5	K174 C178 E182	K174-P176 CarbonylContact C-O 3.51Å; K174-P176 CarbonylContact O-C 3.57Å; P176-C178 VanDerWaalsContact C-N 3.28Å; P176-C178 PolarHBondContact O-N 3.32Å; P176-E182 HydrophobicContact CB-CB 4.47Å; P176-E182 HydrophobicContact CG-CB 3.98Å; P176-E182 HydrophobicContact CG-CG 4.27Å
177	I	98.1	Very high	96.8	Very high	11 Å²	11	60 Å²	60	6%	0.056	36%	0.356	C	S	.	.	S	Bend	trans	-65.4	-31.3	179.8	-169.9	173	0	0	0	112.8	W96 T161 K174 L181 P202	W96-I177 HydrophobicContact CH2-CD1 3.85Å; W96-I177 HydrophobicContact CZ3-CD1 3.7Å; T161-I177 HydrophobicContact CG2-CD1 3.85Å; K174-I177 PolarHBondContact O-N 2.81Å; I177-L181 HydrophobicContact CG2-CD1 3.46Å; I177-L181 VanDerWaalsContact CG2-CD1 3.46Å; I177-P202 HydrophobicContact CD1-CB 4.43Å; I177-P202 HydrophobicContact CD1-CG 4.27Å; I177-P202 HydrophobicContact CG1-CB 4.5Å; I177-P202 HydrophobicContact CG1-CG 4.27Å; I177-P202 HydrophobicContact CG2-CG 3.82Å
178	C	98.2	Very high	96.5	Very high	23 Å²	23	61.9 Å²	61.9	16%	0.155	35%	0.354	C	S	.	.	S	Bend	trans	-146.6	156.9	164.5	72.7	0	0	0	0	109.4	P176 A180 L181 K200 P202	P176-C178 VanDerWaalsContact C-N 3.28Å; P176-C178 PolarHBondContact O-N 3.32Å; C178-A180 PolarHBondContact O-N 2.82Å; C178-L181 PolarHBondContact O-N 3.39Å; C178-L181 VanDerWaalsContact O-N 3.1Å; C178-K200 PolarHBondContact SG-O 3.16Å; C178-P202 HydrophobicContact CB-CG 4.31Å
179	S	98	Very high	95.9	Very high	101 Å²	101	62.8 Å²	62.8	71%	0.706	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-59.4	-32.3	-176.9	53.1	0	0	0	0	113.7	L181 E182	S179-L181 PolarHBondContact O-N 2.87Å; S179-E182 VanDerWaalsContact O-CB 3.29Å; S179-E182 WeakPolarHBondContact O-CB 3.32Å; S179-E182 PolarHBondContact O-N 3.32Å; S179-E182 VanDerWaalsContact O-N 3.15Å
180	A	98.2	Very high	95.5	Very high	27 Å²	27	65.3 Å²	65.3	22%	0.223	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-67.3	-20	179.9	0	0	0	0	0	113.9	C178 I196 K200	C178-A180 PolarHBondContact O-N 2.82Å; A180-I196 HydrophobicContact CB-CD1 4.39Å; A180-I196 HydrophobicContact CB-CG2 3.69Å; A180-I196 VanDerWaalsContact O-CD1 3.25Å; A180-I196 WeakPolarHBondContact O-CD1 3.34Å; A180-K200 HydrophobicContact CB-CB 4.02Å; A180-K200 WeakPolarHBondContact CB-O 3.19Å
181	L	98.4	Very high	95.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-91.6	-4.9	177.1	-75.9	164.6	0	0	0	113	W96 E97 H100 I177 C178 S179 G183 R184 I196 P202	W96-L181 HydrophobicContact CB-CD1 4.17Å; W96-L181 HydrophobicContact CB-CD2 4.37Å; E97-L181 HydrophobicContact CG-CD2 4.02Å; H100-L181 HydrophobicContact CB-CD1 4.29Å; H100-L181 HydrophobicContact CB-CD2 4.34Å; H100-L181 PolarHBondContact CD2-O 3.19Å; H100-L181 VanDerWaalsContact CD2-O 3.22Å; H100-L181 PolarHBondContact NE2-O 3.31Å; I177-L181 HydrophobicContact CG2-CD1 3.46Å; I177-L181 VanDerWaalsContact CG2-CD1 3.46Å; C178-L181 PolarHBondContact O-N 3.39Å; C178-L181 VanDerWaalsContact O-N 3.1Å; S179-L181 PolarHBondContact O-N 2.87Å; L181-G183 PolarHBondContact O-N 2.94Å; L181-R184 HydrophobicContact CD2-CB 4.39Å; L181-R184 VanDerWaalsContact O-CB 3.26Å; L181-R184 WeakPolarHBondContact O-CB 3.23Å; L181-R184 WeakPolarHBondContact O-CG 3.47Å; L181-R184 PolarHBondContact O-N 2.94Å; L181-I196 HydrophobicContact CD2-CD1 3.59Å; L181-I196 HydrophobicContact CG-CD1 4.01Å; L181-P202 HydrophobicContact CD1-CG 4.02Å
182	E	97.6	Very high	94.9	Very high	135 Å²	135	69 Å²	69	63%	0.631	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	126.1	178.6	-167.8	171.4	-156.8	0	0	111.7	P176 S179 R184	P176-E182 HydrophobicContact CB-CB 4.47Å; P176-E182 HydrophobicContact CG-CB 3.98Å; P176-E182 HydrophobicContact CG-CG 4.27Å; S179-E182 VanDerWaalsContact O-CB 3.29Å; S179-E182 WeakPolarHBondContact O-CB 3.32Å; S179-E182 PolarHBondContact O-N 3.32Å; S179-E182 VanDerWaalsContact O-N 3.15Å; E182-R184 PolarHBondContact O-N 3.07Å
183	G	94.6	Very high	94.6	Very high	73 Å²	73	70 Å²	70	75%	0.753	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	18	-177.7	0	0	0	0	0	114.6	L181	L181-G183 PolarHBondContact O-N 2.94Å
184	R	95.7	Very high	94.4	Very high	133 Å²	133	66.1 Å²	66.1	50%	0.502	39%	0.391	S	S	.	.			trans	-103.5	172.3	175.7	-52.7	-56.6	-177.1	-141.7	1.4	111.3	E97 H100 L181 E182 A194	E97-R184 HydrophobicContact CG-CB 4.25Å; H100-R184 PolarHBondContact CD2-O 3.28Å; L181-R184 HydrophobicContact CD2-CB 4.39Å; L181-R184 VanDerWaalsContact O-CB 3.26Å; L181-R184 WeakPolarHBondContact O-CB 3.23Å; L181-R184 WeakPolarHBondContact O-CG 3.47Å; L181-R184 PolarHBondContact O-N 2.94Å; E182-R184 PolarHBondContact O-N 3.07Å; R184-A194 HydrophobicContact CG-CB 4.22Å
185	G	93.9	Very high	94.3	Very high	2 Å²	2	68.8 Å²	68.8	2%	0.021	41%	0.405	C	S	.	.			trans	90.7	7.4	177.3	0	0	0	0	0	115.7	W74 E97 Y101	W74-G185 PolarHBondContact NE1-O 3.46Å; E97-G185 WeakPolarHBondContact O-CA 3.42Å; Y101-G185 VanDerWaalsContact CB-O 3.22Å; Y101-G185 WeakPolarHBondContact CB-O 3.43Å; Y101-G185 WeakPolarHBondContact CD2-O 3.21Å
186	A	93.2	Very high	94.4	Very high	51 Å²	51	66.2 Å²	66.2	42%	0.421	39%	0.385	S	S	.	.			trans	-49.1	129.2	177.6	0	0	0	0	0	111.3	R75 D188 A191	R75-A186 PolarHBondContact NE-O 3.21Å; R75-A186 VanDerWaalsContact NE-O 3.1Å; A186-D188 PolarHBondContact O-N 3.37Å; A186-A191 HydrophobicContact CB-CB 4.44Å
187	P	90.9	Very high	94.4	Very high	56 Å²	56	67 Å²	67	36%	0.364	39%	0.391	S	S	.	.			trans	-81.2	0.1	-173.1	34.8	-38.2	0	0	0	113.5	R75 Y101	R75-P187 VanDerWaalsContact CA-O 3.26Å; R75-P187 WeakPolarHBondContact CA-O 3.1Å; R75-P187 PolarHBondContact N-O 3.07Å; Y101-P187 HydrophobicContact CD2-CB 4.47Å; Y101-P187 HydrophobicContact CD2-CG 4.35Å; Y101-P187 HydrophobicContact CE1-CB 4.18Å; Y101-P187 HydrophobicContact CE2-CB 3.94Å; Y101-P187 HydrophobicContact CE2-CG 3.62Å
188	D	90	Very high	94.4	Very high	86 Å²	86	69.5 Å²	69.5	46%	0.46	41%	0.406	S	S	.	.			trans	-57.5	127.7	179.6	-169.9	-38.7	0	0	0	111	R75 A186 D190 A191	R75-D188 VanDerWaalsContact CG-O 3.28Å; R75-D188 WeakPolarHBondContact CG-O 3.32Å; A186-D188 PolarHBondContact O-N 3.37Å; D188-D190 PolarHBondContact O-N 3.03Å; D188-D190 VanDerWaalsContact O-N 3.15Å; D188-D190 PolarHBondContact OD1-N 3.48Å; D188-A191 HydrophobicContact CB-CB 4.17Å; D188-A191 VanDerWaalsContact O-CB 3.24Å; D188-A191 WeakPolarHBondContact O-CB 3.46Å; D188-A191 PolarHBondContact O-N 2.74Å
189	P	86.8	Confident	94.4	Very high	82 Å²	82	74.6 Å²	74.6	53%	0.532	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.9	176	-27.2	35.7	0	0	0	115.2
190	D	88.4	Confident	94.4	Very high	135 Å²	135	76 Å²	76	72%	0.722	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-2	-178.8	-63.2	-35.6	0	0	0	112.8	D188 H192	D188-D190 PolarHBondContact O-N 3.03Å; D188-D190 VanDerWaalsContact O-N 3.15Å; D188-D190 PolarHBondContact OD1-N 3.48Å; D190-H192 PolarHBondContact O-N 3.22Å; D190-H192 PolarHBondContact O-ND1 2.59Å
191	A	90.4	Very high	94.4	Very high	29 Å²	29	74.8 Å²	74.8	24%	0.24	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-66.8	131.5	175.8	0	0	0	0	0	111.4	R75 A186 D188	R75-A191 WeakPolarHBondContact CD-O 3.26Å; A186-A191 HydrophobicContact CB-CB 4.44Å; D188-A191 HydrophobicContact CB-CB 4.17Å; D188-A191 VanDerWaalsContact O-CB 3.24Å; D188-A191 WeakPolarHBondContact O-CB 3.46Å; D188-A191 PolarHBondContact O-N 2.74Å
192	H	90.7	Very high	94.4	Very high	168 Å²	168	75 Å²	75	78%	0.778	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-80.4	151.8	177	-65.4	67.9	0	0	0	110.6	D190	D190-H192 PolarHBondContact O-N 3.22Å; D190-H192 PolarHBondContact O-ND1 2.59Å
193	D	92.6	Very high	94.4	Very high	33 Å²	33	71.3 Å²	71.3	18%	0.176	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-62.7	137.7	172	-70.1	-22.7	0	0	0	110.7	R75 W77 N91 R94 Q195	R75-D193 IonicContact NH1-OD1 3.31Å; R75-D193 PolarHBondContact NH1-OD1 3.38Å; W77-D193 WeakPolarHBondContact CH2-OD1 3.3Å; N91-D193 PolarHBondContact ND2-OD2 2.91Å; R94-D193 IonicContact CZ-OD2 2.82Å; R94-D193 IonicContact NE-OD1 3.79Å; R94-D193 PolarHBondContact NE-OD1 2.71Å; R94-D193 VanDerWaalsContact NE-OD1 3.15Å; R94-D193 IonicContact NE-OD2 3.94Å; R94-D193 PolarHBondContact NE-OD2 2.69Å; R94-D193 IonicContact NH2-OD2 3.84Å; R94-D193 PolarHBondContact NH2-OD2 2.78Å; D193-Q195 HydrophobicContact CB-CG 4.11Å; D193-Q195 PolarHBondContact O-N 3.35Å
194	A	94.5	Very high	94.6	Very high	36 Å²	36	68.1 Å²	68.1	30%	0.298	36%	0.359	S	S	.	.			trans	-69.8	-18.4	178.9	0	0	0	0	0	113.1	E97 R184 I196	E97-A194 VanDerWaalsContact CD-CB 3.43Å; E97-A194 HydrophobicContact CG-CB 4.22Å; E97-A194 PolarHBondContact OE1-N 3.22Å; E97-A194 WeakPolarHBondContact OE2-CB 3.35Å; E97-A194 PolarHBondContact OE2-N 2.84Å; R184-A194 HydrophobicContact CG-CB 4.22Å; A194-I196 HydrophobicContact CB-CD1 4.04Å; A194-I196 HydrophobicContact CB-CG1 3.82Å; A194-I196 PolarHBondContact O-N 2.97Å
195	Q	95.9	Very high	94.6	Very high	156 Å²	156	68.2 Å²	68.2	73%	0.729	37%	0.365	S	S	*	.			trans	48.5	44	179	-59.5	-179.2	22.6	0	0	112.9	D193 P197	D193-Q195 HydrophobicContact CB-CG 4.11Å; D193-Q195 PolarHBondContact O-N 3.35Å; Q195-P197 WeakPolarHBondContact O-CD 3.31Å
196	I	98.2	Very high	94.7	Very high	15 Å²	15	74.9 Å²	74.9	8%	0.077	39%	0.389	C	S	.	.			trans	-67	127.4	-177.9	-59.9	164.2	0	0	0	108.7	S93 A180 L181 A194 K200 L201	S93-I196 PolarHBondContact OG-N 3.47Å; A180-I196 HydrophobicContact CB-CD1 4.39Å; A180-I196 HydrophobicContact CB-CG2 3.69Å; A180-I196 VanDerWaalsContact O-CD1 3.25Å; A180-I196 WeakPolarHBondContact O-CD1 3.34Å; L181-I196 HydrophobicContact CD2-CD1 3.59Å; L181-I196 HydrophobicContact CG-CD1 4.01Å; A194-I196 HydrophobicContact CB-CD1 4.04Å; A194-I196 HydrophobicContact CB-CG1 3.82Å; A194-I196 PolarHBondContact O-N 2.97Å; I196-K200 HydrophobicContact CG2-CB 3.83Å; I196-L201 HydrophobicContact CB-CD2 3.85Å; I196-L201 HydrophobicContact CB-CG 4.36Å; I196-L201 HydrophobicContact CD1-CD2 4.18Å; I196-L201 HydrophobicContact CG2-CD2 3.76Å; I196-L201 HydrophobicContact CG2-CG 4.02Å
197	P	98.2	Very high	94.9	Very high	55 Å²	55	84.8 Å²	84.8	36%	0.357	42%	0.416	S	S	.	.			trans	-56.1	141.3	174.5	-24.9	33.6	0	0	0	111.8	Q195 E199 K200 L201	Q195-P197 WeakPolarHBondContact O-CD 3.31Å; P197-E199 VanDerWaalsContact CB-CD 3.42Å; P197-E199 HydrophobicContact CB-CG 4.33Å; P197-E199 WeakPolarHBondContact CB-OE1 3.28Å; P197-E199 PolarHBondContact O-N 3.2Å; P197-E199 VanDerWaalsContact O-N 3.13Å; P197-K200 HydrophobicContact CG-CD 4.43Å; P197-K200 WeakPolarHBondContact O-CA 3.49Å; P197-K200 PolarHBondContact O-N 2.91Å; P197-L201 PolarHBondContact O-N 2.99Å
198	V	97.9	Very high	95.1	Very high	63 Å²	63	86.5 Å²	86.5	38%	0.382	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-58.6	-32.6	-171.8	171	0	0	0	0	112.6	P92 K200 L201 R203 L212	P92-V198 HydrophobicContact CG-CG2 3.82Å; V198-K200 PolarHBondContact O-N 3.47Å; V198-L201 PolarHBondContact O-N 3.06Å; V198-R203 PolarHBondContact O-NH1 2.85Å; V198-L212 HydrophobicContact CG1-CD1 4.27Å; V198-L212 HydrophobicContact CG1-CD2 4.04Å
199	E	97.4	Very high	95.4	Very high	130 Å²	130	83.5 Å²	83.5	61%	0.607	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-68.5	-18.2	175.7	64.2	-84.4	-166.2	0	0	114	P197	P197-E199 VanDerWaalsContact CB-CD 3.42Å; P197-E199 HydrophobicContact CB-CG 4.33Å; P197-E199 WeakPolarHBondContact CB-OE1 3.28Å; P197-E199 PolarHBondContact O-N 3.2Å; P197-E199 VanDerWaalsContact O-N 3.13Å
200	K	98.3	Very high	95.8	Very high	130 Å²	130	84.2 Å²	84.2	57%	0.565	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-100.3	-10.5	176.1	-62.9	-173.5	-179.3	178.7	0	113.6	C178 A180 I196 P197 V198	C178-K200 PolarHBondContact SG-O 3.16Å; A180-K200 HydrophobicContact CB-CB 4.02Å; A180-K200 WeakPolarHBondContact CB-O 3.19Å; I196-K200 HydrophobicContact CG2-CB 3.83Å; P197-K200 HydrophobicContact CG-CD 4.43Å; P197-K200 WeakPolarHBondContact O-CA 3.49Å; P197-K200 PolarHBondContact O-N 2.91Å; V198-K200 PolarHBondContact O-N 3.47Å
201	L	98.7	Very high	96.3	Very high	2 Å²	2	77.8 Å²	77.8	1%	0.01	39%	0.394	C	S	.	.	S	Bend	trans	-69.3	166.3	170.2	-69	175.1	0	0	0	110.9	P92 W96 I196 P197 V198 R203 L212	P92-L201 HydrophobicContact CB-CD1 3.92Å; P92-L201 HydrophobicContact CG-CD1 4.05Å; W96-L201 HydrophobicContact CB-CD2 4.04Å; W96-L201 HydrophobicContact CG-CD2 4.33Å; I196-L201 HydrophobicContact CB-CD2 3.85Å; I196-L201 HydrophobicContact CB-CG 4.36Å; I196-L201 HydrophobicContact CD1-CD2 4.18Å; I196-L201 HydrophobicContact CG2-CD2 3.76Å; I196-L201 HydrophobicContact CG2-CG 4.02Å; P197-L201 PolarHBondContact O-N 2.99Å; V198-L201 PolarHBondContact O-N 3.06Å; L201-R203 WeakPolarHBondContact O-CD 3.42Å; L201-R203 WeakPolarHBondContact O-CG 3.21Å; L201-R203 PolarHBondContact O-N 3.07Å; L201-L212 HydrophobicContact CB-CD1 3.81Å; L201-L212 HydrophobicContact CD1-CD1 4.4Å
202	P	98.6	Very high	96.7	Very high	4 Å²	4	77.7 Å²	77.7	3%	0.026	39%	0.389	C	S	.	.			trans	-50.9	126	-178.7	-30.6	38.8	0	0	0	112.9	W96 I177 C178 L181 L213	W96-P202 HydrophobicContact CD2-CG 3.91Å; W96-P202 HydrophobicContact CE3-CG 4.15Å; W96-P202 HydrophobicContact CG-CG 4.42Å; W96-P202 HydrophobicContact CH2-CB 4.3Å; W96-P202 HydrophobicContact CH2-CG 4.25Å; W96-P202 HydrophobicContact CZ2-CB 3.89Å; W96-P202 HydrophobicContact CZ2-CG 3.97Å; W96-P202 HydrophobicContact CZ3-CG 4.34Å; I177-P202 HydrophobicContact CD1-CB 4.43Å; I177-P202 HydrophobicContact CD1-CG 4.27Å; I177-P202 HydrophobicContact CG1-CB 4.5Å; I177-P202 HydrophobicContact CG1-CG 4.27Å; I177-P202 HydrophobicContact CG2-CG 3.82Å; C178-P202 HydrophobicContact CB-CG 4.31Å; L181-P202 HydrophobicContact CD1-CG 4.02Å; P202-L213 HydrophobicContact CB-CB 4.07Å; P202-L213 HydrophobicContact CB-CD1 4.07Å; P202-L213 HydrophobicContact CB-CG 4.49Å; P202-L213 WeakPolarHBondContact O-CB 3.29Å; P202-L213 PolarHBondContact O-N 2.95Å
203	R	98.4	Very high	97.1	Very high	59 Å²	59	69.9 Å²	69.9	22%	0.223	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-119.5	149.7	-175.8	-51.9	-53.3	-68.5	-168.1	-4.1	111.2	V198 L201 E205 N210 L213	V198-R203 PolarHBondContact O-NH1 2.85Å; L201-R203 WeakPolarHBondContact O-CD 3.42Å; L201-R203 WeakPolarHBondContact O-CG 3.21Å; L201-R203 PolarHBondContact O-N 3.07Å; R203-E205 PolarHBondContact O-N 2.9Å; R203-N210 VanDerWaalsContact CB-OD1 3.31Å; R203-N210 WeakPolarHBondContact CB-OD1 3.32Å; R203-N210 VanDerWaalsContact CZ-O 3.22Å; R203-N210 PolarHBondContact NE-O 3.01Å; R203-N210 VanDerWaalsContact NE-O 3.08Å; R203-N210 PolarHBondContact NH2-O 3.36Å; R203-L213 WeakPolarHBondContact O-CD1 3.48Å
204	C	98.1	Very high	97.3	Very high	6 Å²	6	68.8 Å²	68.8	4%	0.041	35%	0.347	C	S	.	.			trans	-68.1	129.9	177.1	-172.7	0	0	0	0	111.5	C163 C209 G211 L213	C163-C204 HydrophobicContact CB-CB 3.99Å; C163-C204 WeakPolarHBondContact SG-CB 3.29Å; C204-C209 HydrophobicContact CB-CB 4.33Å; C204-C209 VanDerWaalsContact SG-SG 3.7Å; C204-G211 PolarHBondContact N-O 2.78Å; C204-L213 HydrophobicContact CB-CD2 3.83Å
205	E	95.9	Very high	97.5	Very high	134 Å²	134	67.1 Å²	67.1	63%	0.626	33%	0.333	S	S	*	.			trans	-92.1	0.3	-178.8	-62.7	177.7	-171.6	0	0	112.8	K174 R203 R207	K174-E205 IonicContact NZ-OE1 2.69Å; K174-E205 PolarHBondContact NZ-OE1 3.41Å; K174-E205 IonicContact NZ-OE2 3.24Å; K174-E205 PolarHBondContact NZ-OE2 3.42Å; R203-E205 PolarHBondContact O-N 2.9Å; E205-R207 PolarHBondContact O-N 3.16Å
206	R	96.5	Very high	97.6	Very high	143 Å²	143	59.9 Å²	59.9	54%	0.54	30%	0.299	S	S	.	.	S	Bend	trans	-61.9	133	176.5	-70.3	-77.5	-68.8	-176.9	-2.3	110	H168 G208 C209	H168-R206 HydrophobicContact CB-CG 4.27Å; R206-G208 PolarHBondContact O-N 3.26Å; R206-C209 HydrophobicContact CB-CB 3.93Å; R206-C209 WeakPolarHBondContact O-CA 3.38Å; R206-C209 VanDerWaalsContact O-CB 3.27Å; R206-C209 WeakPolarHBondContact O-CB 3.45Å; R206-C209 PolarHBondContact O-N 3.36Å
207	R	95.6	Very high	97.6	Very high	259 Å²	259	59.3 Å²	59.3	98%	0.977	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	125.7	179.3	-174.6	-179	-179.9	-170	0.1	111.4	E205 C209	E205-R207 PolarHBondContact O-N 3.16Å; R207-C209 PolarHBondContact O-N 3.18Å
208	G	95.4	Very high	97.5	Very high	91 Å²	91	58.5 Å²	58.5	94%	0.938	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-1.1	-179.1	0	0	0	0	0	114.6	R206	R206-G208 PolarHBondContact O-N 3.26Å
209	C	96.3	Very high	97.5	Very high	23 Å²	23	55.8 Å²	55.8	16%	0.155	27%	0.273	C	S	.	.			trans	-100.7	152.5	166.5	-166.3	0	0	0	0	109.3	C163 C166 C204 R206 R207 G211	C163-C209 VanDerWaalsContact SG-SG 3.61Å; C166-C209 VanDerWaalsContact SG-SG 3.65Å; C204-C209 HydrophobicContact CB-CB 4.33Å; C204-C209 VanDerWaalsContact SG-SG 3.7Å; R206-C209 HydrophobicContact CB-CB 3.93Å; R206-C209 WeakPolarHBondContact O-CA 3.38Å; R206-C209 VanDerWaalsContact O-CB 3.27Å; R206-C209 WeakPolarHBondContact O-CB 3.45Å; R206-C209 PolarHBondContact O-N 3.36Å; R207-C209 PolarHBondContact O-N 3.18Å; C209-G211 PolarHBondContact SG-N 3.37Å; C209-G211 VanDerWaalsContact SG-N 3.41Å
210	N	96.1	Very high	97.3	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	26%	0.264	S	S	.	.			trans	-151.1	33.7	164.9	-172.3	20.7	0	0	0	108.9	R203	R203-N210 VanDerWaalsContact CB-OD1 3.31Å; R203-N210 WeakPolarHBondContact CB-OD1 3.32Å; R203-N210 VanDerWaalsContact CZ-O 3.22Å; R203-N210 PolarHBondContact NE-O 3.01Å; R203-N210 VanDerWaalsContact NE-O 3.08Å; R203-N210 PolarHBondContact NH2-O 3.36Å
211	G	98.1	Very high	97.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-67.7	149.9	-177.5	0	0	0	0	0	112	C204 C209 L213	C204-G211 PolarHBondContact N-O 2.78Å; C209-G211 PolarHBondContact SG-N 3.37Å; C209-G211 VanDerWaalsContact SG-N 3.41Å; G211-L213 PolarHBondContact O-N 3Å
212	L	98.6	Very high	96.9	Very high	27 Å²	27	54.5 Å²	54.5	14%	0.141	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-58.4	129.3	170.6	179.5	60.4	0	0	0	108.8	F88 P92 M164 V198 L201	F88-L212 HydrophobicContact CE1-CD2 3.68Å; F88-L212 HydrophobicContact CE1-CG 4.27Å; F88-L212 HydrophobicContact CZ-CD2 3.69Å; F88-L212 HydrophobicContact CZ-CG 3.99Å; P92-L212 HydrophobicContact CB-CD2 4.16Å; M164-L212 VanDerWaalsContact CB-O 3.27Å; M164-L212 WeakPolarHBondContact CB-O 3.2Å; M164-L212 VanDerWaalsContact CG-O 3.3Å; M164-L212 WeakPolarHBondContact CG-O 3.24Å; M164-L212 PolarHBondContact N-O 3.24Å; V198-L212 HydrophobicContact CG1-CD1 4.27Å; V198-L212 HydrophobicContact CG1-CD2 4.04Å; L201-L212 HydrophobicContact CB-CD1 3.81Å; L201-L212 HydrophobicContact CD1-CD1 4.4Å
213	L	98.8	Very high	96.7	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	153.7	169.4	-60.9	178.3	0	0	0	109.3	F88 W96 T161 R162 C163 P202 R203 C204 G211	F88-L213 WeakPolarHBondContact CZ-O 3.35Å; W96-L213 VanDerWaalsContact CE2-O 3.32Å; W96-L213 VanDerWaalsContact CZ2-C 3.49Å; W96-L213 HydrophobicContact CZ2-CB 3.95Å; W96-L213 WeakPolarHBondContact CZ2-O 3.4Å; W96-L213 PolarHBondContact NE1-O 3.1Å; T161-L213 HydrophobicContact CG2-CD1 4.34Å; R162-L213 WeakPolarHBondContact O-CA 3.4Å; C163-L213 HydrophobicContact CB-CD2 3.81Å; P202-L213 HydrophobicContact CB-CB 4.07Å; P202-L213 HydrophobicContact CB-CD1 4.07Å; P202-L213 HydrophobicContact CB-CG 4.49Å; P202-L213 WeakPolarHBondContact O-CB 3.29Å; P202-L213 PolarHBondContact O-N 2.95Å; R203-L213 WeakPolarHBondContact O-CD1 3.48Å; C204-L213 HydrophobicContact CB-CD2 3.83Å; G211-L213 PolarHBondContact O-N 3Å
214	R	98.7	Very high	96.5	Very high	9 Å²	9	58.9 Å²	58.9	3%	0.034	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	162.2	159	61	171.7	-78.6	-178.8	-6	109.3	F88 W96 T161 R162 M164 A216 V217 W219 E222	F88-R214 HydrophobicContact CE1-CB 4.07Å; F88-R214 HydrophobicContact CE2-CB 4.27Å; F88-R214 HydrophobicContact CZ-CB 3.84Å; W96-R214 VanDerWaalsContact CZ2-CA 3.44Å; T161-R214 CarbonylContact C-O 3.59Å; T161-R214 WeakPolarHBondContact CA-O 3.4Å; R162-R214 HydrophobicContact CB-CG 4.12Å; R162-R214 PolarHBondContact N-O 2.68Å; R162-R214 WeakPolarHBondContact O-CG 3.31Å; R162-R214 PolarHBondContact O-N 2.92Å; M164-R214 HydrophobicContact CG-CB 4.44Å; M164-R214 HydrophobicContact CG-CG 4.2Å; M164-R214 HydrophobicContact SD-CB 4.22Å; M164-R214 WeakPolarHBondContact SD-CD 3.48Å; M164-R214 HydrophobicContact SD-CG 3.6Å; R214-A216 PolarHBondContact O-N 2.66Å; R214-V217 PolarHBondContact NH2-O 3Å; R214-W219 HydrophobicContact CB-CH2 3.82Å; R214-W219 HydrophobicContact CB-CZ2 4.24Å; R214-W219 HydrophobicContact CG-CH2 4.47Å; R214-W219 VanDerWaalsContact CZ-CH2 3.49Å; R214-E222 IonicContact CZ-OE1 2.65Å; R214-E222 IonicContact CZ-OE2 2.66Å; R214-E222 IonicContact NH1-OE1 2.93Å; R214-E222 PolarHBondContact NH1-OE1 3.37Å; R214-E222 IonicContact NH1-OE2 3.19Å; R214-E222 IonicContact NH2-OE1 3.15Å; R214-E222 PolarHBondContact NH2-OE1 2.86Å; R214-E222 IonicContact NH2-OE2 3.56Å; R214-E222 PolarHBondContact NH2-OE2 3.33Å
215	P	98.4	Very high	96.4	Very high	2 Å²	2	62 Å²	62	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	136.5	164.9	-14.8	26.9	0	0	0	109.9	W96 Y99 V217	W96-P215 HydrophobicContact CE3-CG 4.36Å; W96-P215 HydrophobicContact CH2-CG 3.91Å; W96-P215 HydrophobicContact CZ2-CG 4.48Å; W96-P215 HydrophobicContact CZ3-CG 3.84Å; Y99-P215 HydrophobicContact CD1-CB 3.99Å; Y99-P215 HydrophobicContact CD1-CG 3.71Å; Y99-P215 HydrophobicContact CD2-CG 3.5Å; Y99-P215 HydrophobicContact CE1-CB 4.13Å; Y99-P215 HydrophobicContact CE1-CG 4.08Å; Y99-P215 HydrophobicContact CE2-CG 3.9Å; Y99-P215 HydrophobicContact CG-CB 4.22Å; Y99-P215 HydrophobicContact CG-CG 3.41Å; Y99-P215 VanDerWaalsContact CG-CG 3.41Å; P215-V217 HydrophobicContact CB-CG1 4.1Å; P215-V217 HydrophobicContact CB-CG2 3.93Å; P215-V217 PolarHBondContact O-N 3.11Å
216	A	97.9	Very high	96.3	Very high	3 Å²	3	59.1 Å²	59.1	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	63.8	174.8	0	0	0	0	0	109.5	G156 S157 K160 R162 E169 R214	G156-A216 WeakPolarHBondContact CA-O 3.48Å; S157-A216 PolarHBondContact N-O 3.37Å; S157-A216 VanDerWaalsContact N-O 3.09Å; K160-A216 HydrophobicContact CB-CB 3.69Å; K160-A216 PolarHBondContact O-N 3.24Å; R162-A216 HydrophobicContact CB-CB 4.06Å; E169-A216 HydrophobicContact CG-CB 4.4Å; R214-A216 PolarHBondContact O-N 2.66Å
217	V	97.6	Very high	96.3	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.9	177.8	-56.2	0	0	0	0	108.6	Y99 I139 H155 S157 R214 P215 W219	Y99-V217 HydrophobicContact CE1-CG1 4.42Å; Y99-V217 HydrophobicContact CE1-CG2 3.88Å; Y99-V217 WeakPolarHBondContact OH-CG2 3.26Å; I139-V217 HydrophobicContact CB-CG1 4.37Å; I139-V217 HydrophobicContact CD1-CB 4.49Å; I139-V217 HydrophobicContact CD1-CG1 3.89Å; I139-V217 HydrophobicContact CG2-CG1 4.26Å; H155-V217 CarbonylContact O-C 3.59Å; H155-V217 WeakPolarHBondContact O-CA 3.36Å; S157-V217 VanDerWaalsContact O-CG1 3.32Å; S157-V217 WeakPolarHBondContact O-CG1 3.49Å; R214-V217 PolarHBondContact NH2-O 3Å; P215-V217 HydrophobicContact CB-CG1 4.1Å; P215-V217 HydrophobicContact CB-CG2 3.93Å; P215-V217 PolarHBondContact O-N 3.11Å; V217-W219 PolarHBondContact O-N 3.09Å
218	V	97.1	Very high	96.3	Very high	38 Å²	38	48.5 Å²	48.5	23%	0.23	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-75.7	119.1	173.5	-178.6	0	0	0	0	108.1	H155 E222 L224	H155-V218 HydrophobicContact CB-CB 4.41Å; H155-V218 PolarHBondContact O-N 2.93Å; V218-E222 HydrophobicContact CG1-CB 4.15Å; V218-L224 HydrophobicContact CG1-CD1 4.36Å
219	W	97	Very high	96.3	Very high	6 Å²	6	46.2 Å²	46.2	2%	0.023	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-86.3	159.2	175.9	-75.4	-24.9	0	0	0	112.2	A83 P85 F88 V95 Y99 R214 V217 G221 E222	A83-W219 WeakPolarHBondContact O-CA 3.48Å; A83-W219 VanDerWaalsContact O-CB 3.23Å; A83-W219 WeakPolarHBondContact O-CB 3.47Å; P85-W219 HydrophobicContact CB-CE3 4.26Å; P85-W219 HydrophobicContact CG-CB 4.48Å; P85-W219 HydrophobicContact CG-CE3 4.06Å; F88-W219 HydrophobicContact CB-CE3 4.46Å; F88-W219 HydrophobicContact CB-CH2 3.37Å; F88-W219 HydrophobicContact CB-CZ2 4.16Å; F88-W219 HydrophobicContact CB-CZ3 3.53Å; F88-W219 AromaticContact CD1-CH2 3.69Å; F88-W219 HydrophobicContact CD1-CH2 3.69Å; F88-W219 HydrophobicContact CD1-CZ3 4.07Å; F88-W219 AromaticContact CD2-CH2 3.57Å; F88-W219 HydrophobicContact CD2-CH2 3.57Å; F88-W219 HydrophobicContact CD2-CZ2 4.03Å; F88-W219 HydrophobicContact CE1-CH2 4.33Å; F88-W219 HydrophobicContact CE2-CH2 4.24Å; F88-W219 AromaticContact CG-CH2 3.25Å; F88-W219 HydrophobicContact CG-CH2 3.25Å; F88-W219 HydrophobicContact CG-CZ2 4.11Å; F88-W219 AromaticContact CG-CZ3 3.81Å; F88-W219 HydrophobicContact CG-CZ3 3.81Å; V95-W219 HydrophobicContact CG1-CZ2 4.32Å; Y99-W219 HydrophobicContact CE2-CZ2 4.49Å; Y99-W219 AromaticContact CE2-NE1 3.65Å; Y99-W219 AromaticContact CZ-NE1 3.54Å; Y99-W219 VanDerWaalsContact OH-CD1 3.25Å; Y99-W219 PolarHBondContact OH-NE1 2.88Å; R214-W219 HydrophobicContact CB-CH2 3.82Å; R214-W219 HydrophobicContact CB-CZ2 4.24Å; R214-W219 HydrophobicContact CG-CH2 4.47Å; R214-W219 VanDerWaalsContact CZ-CH2 3.49Å; V217-W219 PolarHBondContact O-N 3.09Å; W219-G221 PolarHBondContact O-N 2.84Å; W219-E222 HydrophobicContact CB-CG 4.11Å; W219-E222 WeakPolarHBondContact CB-OE2 3.27Å; W219-E222 PolarHBondContact N-OE2 3.3Å; W219-E222 WeakPolarHBondContact O-CB 3.3Å; W219-E222 PolarHBondContact O-N 2.88Å
220	F	93.9	Very high	96.3	Very high	95 Å²	95	47.1 Å²	47.1	42%	0.417	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	130	169.9	-68.5	-84.4	0	0	0	109.6	Q80 A83 T84 P85 V251	Q80-F220 HydrophobicContact CB-CD2 3.73Å; Q80-F220 HydrophobicContact CB-CE1 4.41Å; Q80-F220 HydrophobicContact CB-CE2 3.5Å; Q80-F220 VanDerWaalsContact CB-CE2 3.5Å; Q80-F220 HydrophobicContact CB-CG 4.28Å; Q80-F220 HydrophobicContact CB-CZ 3.87Å; A83-F220 HydrophobicContact CB-CD2 4.13Å; A83-F220 HydrophobicContact CB-CE2 4.42Å; A83-F220 PolarHBondContact O-N 3.45Å; T84-F220 HydrophobicContact CG2-CB 4.21Å; P85-F220 WeakPolarHBondContact CD-O 3.19Å; F220-V251 HydrophobicContact CE1-CG1 4.33Å
221	G	93.7	Very high	96.4	Very high	84 Å²	84	46.7 Å²	46.7	87%	0.866	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-5.7	-173.1	0	0	0	0	0	114.5	W219	W219-G221 PolarHBondContact O-N 2.84Å
222	E	95.1	Very high	96.4	Very high	56 Å²	56	46.6 Å²	46.6	26%	0.262	28%	0.278	S	S	.	.	S	Bend	trans	-94.9	154.4	170.4	-62.2	-172.7	139.8	0	0	111.8	P85 R214 V218 W219	P85-E222 HydrophobicContact CG-CG 3.64Å; R214-E222 IonicContact CZ-OE1 2.65Å; R214-E222 IonicContact CZ-OE2 2.66Å; R214-E222 IonicContact NH1-OE1 2.93Å; R214-E222 PolarHBondContact NH1-OE1 3.37Å; R214-E222 IonicContact NH1-OE2 3.19Å; R214-E222 IonicContact NH2-OE1 3.15Å; R214-E222 PolarHBondContact NH2-OE1 2.86Å; R214-E222 IonicContact NH2-OE2 3.56Å; R214-E222 PolarHBondContact NH2-OE2 3.33Å; V218-E222 HydrophobicContact CG1-CB 4.15Å; W219-E222 HydrophobicContact CB-CG 4.11Å; W219-E222 WeakPolarHBondContact CB-OE2 3.27Å; W219-E222 PolarHBondContact N-OE2 3.3Å; W219-E222 WeakPolarHBondContact O-CB 3.3Å; W219-E222 PolarHBondContact O-N 2.88Å
223	T	94.2	Very high	96.3	Very high	130 Å²	130	49.9 Å²	49.9	80%	0.798	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-78.7	145.8	171.3	54	0	0	0	0	110.1
224	L	94.4	Very high	96.2	Very high	25 Å²	25	55 Å²	55	13%	0.131	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.6	156.7	165.9	-77.7	72.5	0	0	0	109.6	I154 V218 A226 P253	I154-L224 HydrophobicContact CB-CD2 4.02Å; I154-L224 HydrophobicContact CD1-CD2 4.18Å; I154-L224 HydrophobicContact CG1-CD2 4.33Å; V218-L224 HydrophobicContact CG1-CD1 4.36Å; L224-A226 PolarHBondContact O-N 2.92Å; L224-P253 VanDerWaalsContact CD1-CD 3.41Å; L224-P253 HydrophobicContact CD1-CG 3.79Å; L224-P253 HydrophobicContact CD2-CG 3.87Å; L224-P253 HydrophobicContact CG-CG 4.45Å
225	D	94.9	Very high	96.2	Very high	71 Å²	71	55.3 Å²	55.3	38%	0.38	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-60.4	127.1	171.2	-175.8	-68.8	0	0	0	109.9	D227 I228 L229	D225-D227 VanDerWaalsContact C-N 3.35Å; D225-D227 PolarHBondContact O-N 2.61Å; D225-D227 WeakPolarHBondContact OD1-CB 3.35Å; D225-D227 PolarHBondContact OD1-N 3.24Å; D225-I228 HydrophobicContact CB-CB 4.08Å; D225-I228 HydrophobicContact CB-CD1 3.94Å; D225-I228 HydrophobicContact CB-CG1 3.99Å; D225-I228 PolarHBondContact O-N 2.92Å; D225-I228 PolarHBondContact OD1-N 3.05Å; D225-L229 WeakPolarHBondContact O-CB 3.23Å; D225-L229 PolarHBondContact O-N 2.52Å
226	A	94.9	Very high	96.2	Very high	74 Å²	74	55.6 Å²	55.6	61%	0.612	32%	0.319	S	S	*	.	H	α-helix	trans	-68.2	-34.6	-173	0	0	0	0	0	112.5	L224 L229 S230	L224-A226 PolarHBondContact O-N 2.92Å; A226-L229 PolarHBondContact O-N 3.4Å; A226-S230 WeakPolarHBondContact O-CB 3.41Å; A226-S230 PolarHBondContact O-N 2.94Å
227	D	95.8	Very high	96.2	Very high	125 Å²	125	60.5 Å²	60.5	67%	0.668	35%	0.345	S	S	*	.	H	α-helix	trans	-70.9	-44	178.8	-66.5	-28.1	0	0	0	109.6	D225 L229 S230 E231	D225-D227 VanDerWaalsContact C-N 3.35Å; D225-D227 PolarHBondContact O-N 2.61Å; D225-D227 WeakPolarHBondContact OD1-CB 3.35Å; D225-D227 PolarHBondContact OD1-N 3.24Å; D227-L229 VanDerWaalsContact C-N 3.33Å; D227-L229 PolarHBondContact O-N 3.43Å; D227-S230 PolarHBondContact O-N 3.39Å; D227-E231 WeakPolarHBondContact O-CG 3.39Å; D227-E231 PolarHBondContact O-N 2.65Å
228	I	95.5	Very high	96.2	Very high	55 Å²	55	63.6 Å²	63.6	28%	0.282	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-42	175	-63	-179.2	0	0	0	111.1	I154 D225 E231 A232	I154-I228 HydrophobicContact CB-CG2 4.33Å; I154-I228 HydrophobicContact CG2-CG2 3.88Å; D225-I228 HydrophobicContact CB-CB 4.08Å; D225-I228 HydrophobicContact CB-CD1 3.94Å; D225-I228 HydrophobicContact CB-CG1 3.99Å; D225-I228 PolarHBondContact O-N 2.92Å; D225-I228 PolarHBondContact OD1-N 3.05Å; I228-E231 PolarHBondContact O-N 3.15Å; I228-A232 WeakPolarHBondContact O-CB 3.32Å; I228-A232 PolarHBondContact O-N 3.25Å
229	L	94.9	Very high	96.3	Very high	43 Å²	43	62 Å²	62	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-64.8	-44.4	178.3	-175	61.7	0	0	0	111.3	D225 A226 D227 E231 A232 E233 F257	D225-L229 WeakPolarHBondContact O-CB 3.23Å; D225-L229 PolarHBondContact O-N 2.52Å; A226-L229 PolarHBondContact O-N 3.4Å; D227-L229 VanDerWaalsContact C-N 3.33Å; D227-L229 PolarHBondContact O-N 3.43Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-E231 PolarHBondContact O-N 2.93Å; L229-A232 WeakPolarHBondContact O-CB 3.2Å; L229-A232 PolarHBondContact O-N 3.35Å; L229-E233 WeakPolarHBondContact O-CB 3.26Å; L229-E233 WeakPolarHBondContact O-CG 3.28Å; L229-E233 PolarHBondContact O-N 2.75Å; L229-F257 HydrophobicContact CD1-CE1 4.01Å; L229-F257 HydrophobicContact CD1-CZ 3.68Å
230	S	96.6	Very high	96.4	Very high	42 Å²	42	64.3 Å²	64.3	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-42.4	174.4	154.7	0	0	0	0	111.8	A226 D227 E233 K234	A226-S230 WeakPolarHBondContact O-CB 3.41Å; A226-S230 PolarHBondContact O-N 2.94Å; D227-S230 PolarHBondContact O-N 3.39Å; S230-E233 PolarHBondContact O-N 3.43Å; S230-K234 VanDerWaalsContact O-CG 3.3Å; S230-K234 WeakPolarHBondContact O-CG 3.32Å; S230-K234 PolarHBondContact O-N 3.05Å
231	E	97.9	Very high	96.6	Very high	87 Å²	87	59.8 Å²	59.8	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-66	-39.9	175.1	-69.8	-53.6	123.6	0	0	112.4	L152 D227 I228 L229 K234 V235	L152-E231 HydrophobicContact CD1-CB 4.16Å; L152-E231 HydrophobicContact CD2-CB 4.42Å; D227-E231 WeakPolarHBondContact O-CG 3.39Å; D227-E231 PolarHBondContact O-N 2.65Å; I228-E231 PolarHBondContact O-N 3.15Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-E231 PolarHBondContact O-N 2.93Å; E231-K234 PolarHBondContact O-N 3.38Å; E231-K234 IonicContact OE1-NZ 3.84Å; E231-K234 PolarHBondContact OE1-NZ 2.86Å; E231-V235 WeakPolarHBondContact O-CG2 3.34Å; E231-V235 PolarHBondContact O-N 3.09Å; E231-V235 VanDerWaalsContact O-N 3.09Å
232	A	97.8	Very high	96.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-44	174.2	0	0	0	0	0	111.2	I135 L152 I228 L229 V235 L236	I135-A232 HydrophobicContact CD1-CB 4.18Å; I135-A232 HydrophobicContact CG2-CB 4.29Å; L152-A232 HydrophobicContact CD1-CB 4.05Å; I228-A232 WeakPolarHBondContact O-CB 3.32Å; I228-A232 PolarHBondContact O-N 3.25Å; L229-A232 WeakPolarHBondContact O-CB 3.2Å; L229-A232 PolarHBondContact O-N 3.35Å; A232-V235 WeakPolarHBondContact O-CB 3.37Å; A232-V235 PolarHBondContact O-N 2.99Å; A232-L236 WeakPolarHBondContact O-CB 3.36Å; A232-L236 WeakPolarHBondContact O-CG 3.27Å; A232-L236 PolarHBondContact O-N 3.41Å
233	E	96.8	Very high	97	Very high	95 Å²	95	53.1 Å²	53.1	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-45.7	175.8	-73.9	173.1	175.3	0	0	111.7	L229 S230 V235 L236 D237	L229-E233 WeakPolarHBondContact O-CB 3.26Å; L229-E233 WeakPolarHBondContact O-CG 3.28Å; L229-E233 PolarHBondContact O-N 2.75Å; S230-E233 PolarHBondContact O-N 3.43Å; E233-V235 VanDerWaalsContact C-N 3.29Å; E233-V235 PolarHBondContact O-N 3.48Å; E233-L236 CarbonylContact O-C 3.53Å; E233-L236 PolarHBondContact O-N 3.28Å; E233-L236 VanDerWaalsContact O-N 3.11Å; E233-D237 WeakPolarHBondContact O-CB 3.4Å; E233-D237 PolarHBondContact O-N 2.93Å
234	K	98.1	Very high	97.2	Very high	113 Å²	113	47 Å²	47	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-40.5	174.9	-71	169.8	-167.9	171.9	0	112.7	S230 E231 S238	S230-K234 VanDerWaalsContact O-CG 3.3Å; S230-K234 WeakPolarHBondContact O-CG 3.32Å; S230-K234 PolarHBondContact O-N 3.05Å; E231-K234 PolarHBondContact O-N 3.38Å; E231-K234 IonicContact OE1-NZ 3.84Å; E231-K234 PolarHBondContact OE1-NZ 2.86Å; K234-S238 WeakPolarHBondContact O-CB 3.33Å; K234-S238 PolarHBondContact O-N 3.29Å; K234-S238 PolarHBondContact O-OG 3.31Å
235	V	98.4	Very high	97.4	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-46.9	175.8	170.8	0	0	0	0	110.2	A51 T133 I135 L152 E231 A232 E233 D237 S238 C239	A51-V235 HydrophobicContact CB-CG1 4.02Å; T133-V235 HydrophobicContact CG2-CG1 4.04Å; T133-V235 HydrophobicContact CG2-CG2 3.81Å; I135-V235 HydrophobicContact CD1-CB 4.32Å; I135-V235 HydrophobicContact CD1-CG1 4.03Å; L152-V235 HydrophobicContact CD1-CG2 4.42Å; E231-V235 WeakPolarHBondContact O-CG2 3.34Å; E231-V235 PolarHBondContact O-N 3.09Å; E231-V235 VanDerWaalsContact O-N 3.09Å; A232-V235 WeakPolarHBondContact O-CB 3.37Å; A232-V235 PolarHBondContact O-N 2.99Å; E233-V235 VanDerWaalsContact C-N 3.29Å; E233-V235 PolarHBondContact O-N 3.48Å; V235-D237 VanDerWaalsContact C-N 3.33Å; V235-D237 PolarHBondContact O-N 2.88Å; V235-S238 PolarHBondContact O-N 3.44Å; V235-S238 PolarHBondContact O-OG 3.24Å; V235-C239 WeakPolarHBondContact O-CB 3.49Å; V235-C239 PolarHBondContact O-N 2.93Å
236	L	98.2	Very high	97.5	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-31.7	-178.8	-66.8	168.7	0	0	0	112.7	A51 I53 I135 A232 E233 C239 F257 V261 R264	A51-L236 HydrophobicContact CB-CD2 4.36Å; I53-L236 HydrophobicContact CD1-CD2 3.95Å; I53-L236 HydrophobicContact CG1-CD2 4.42Å; I135-L236 HydrophobicContact CD1-CD1 4.4Å; I135-L236 HydrophobicContact CD1-CD2 3.93Å; I135-L236 HydrophobicContact CD1-CG 3.92Å; A232-L236 WeakPolarHBondContact O-CB 3.36Å; A232-L236 WeakPolarHBondContact O-CG 3.27Å; A232-L236 PolarHBondContact O-N 3.41Å; E233-L236 CarbonylContact O-C 3.53Å; E233-L236 PolarHBondContact O-N 3.28Å; E233-L236 VanDerWaalsContact O-N 3.11Å; L236-C239 PolarHBondContact O-SG 2.9Å; L236-F257 HydrophobicContact CD1-CB 3.59Å; L236-F257 HydrophobicContact CD1-CD1 3.81Å; L236-F257 HydrophobicContact CD1-CD2 3.98Å; L236-F257 HydrophobicContact CD1-CE1 4.47Å; L236-F257 HydrophobicContact CD1-CG 3.54Å; L236-F257 HydrophobicContact CD2-CB 4.22Å; L236-V261 HydrophobicContact CB-CG2 4.09Å; L236-V261 HydrophobicContact CD2-CG2 3.75Å; L236-R264 PolarHBondContact O-NH2 2.96Å
237	D	97.8	Very high	97.4	Very high	107 Å²	107	39.3 Å²	39.3	57%	0.572	21%	0.209	S	C	*	.	H	α-helix	trans	-75	-35.8	178.1	-77.5	-19.2	0	0	0	112.4	E233 V235 R264	E233-D237 WeakPolarHBondContact O-CB 3.4Å; E233-D237 PolarHBondContact O-N 2.93Å; V235-D237 VanDerWaalsContact C-N 3.33Å; V235-D237 PolarHBondContact O-N 2.88Å; D237-R264 PolarHBondContact O-NH1 3.08Å; D237-R264 PolarHBondContact O-NH2 2.91Å
238	S	97.7	Very high	97.2	Very high	67 Å²	67	34.6 Å²	34.6	47%	0.469	19%	0.185	S	C	.	.	H	α-helix	trans	-92.3	-8.5	-176.8	61.7	0	0	0	0	114.8	K234 V235	K234-S238 WeakPolarHBondContact O-CB 3.33Å; K234-S238 PolarHBondContact O-N 3.29Å; K234-S238 PolarHBondContact O-OG 3.31Å; V235-S238 PolarHBondContact O-N 3.44Å; V235-S238 PolarHBondContact O-OG 3.24Å
239	C	98.7	Very high	97	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.041	18%	0.176	C	C	.	.			trans	-70.4	143.9	-179.2	74.2	0	0	0	0	112.6	N49 A51 V235 L236	N49-C239 CarbonylContact O-C 3.31Å; N49-C239 WeakPolarHBondContact O-CA 3.38Å; N49-C239 VanDerWaalsContact O-CB 3.23Å; N49-C239 WeakPolarHBondContact O-CB 3.24Å; A51-C239 HydrophobicContact CB-CB 3.87Å; V235-C239 WeakPolarHBondContact O-CB 3.49Å; V235-C239 PolarHBondContact O-N 2.93Å; L236-C239 PolarHBondContact O-SG 2.9Å
240	D	98.7	Very high	96.7	Very high	53 Å²	53	34.4 Å²	34.4	28%	0.283	19%	0.189	S	C	.	.	S	Bend	trans	-110.1	-4	174.4	59.5	8.1	0	0	0	113	S47 N48 N49	S47-D240 WeakPolarHBondContact CB-OD1 3.47Å; N48-D240 VanDerWaalsContact N-CG 3.33Å; N48-D240 PolarHBondContact N-OD1 2.83Å; N48-D240 VanDerWaalsContact N-OD1 3.1Å; N48-D240 PolarHBondContact N-OD2 2.86Å; N49-D240 PolarHBondContact N-OD1 2.76Å; N49-D240 PolarHBondContact O-N 2.92Å
241	L	98.8	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	138.1	167.5	174.5	63.5	0	0	0	109.8	F40 I43 F44 S47 I50 A51 L243 P267	F40-L241 HydrophobicContact CE2-CD1 4.15Å; F40-L241 HydrophobicContact CE2-CD2 4.27Å; F40-L241 HydrophobicContact CZ-CD2 4.46Å; I43-L241 HydrophobicContact CG2-CD1 4.07Å; F44-L241 HydrophobicContact CB-CD2 4.11Å; F44-L241 HydrophobicContact CD2-CD2 4Å; S47-L241 WeakPolarHBondContact OG-CB 3.38Å; I50-L241 WeakPolarHBondContact CA-O 3.26Å; I50-L241 HydrophobicContact CD1-CD2 4.27Å; I50-L241 HydrophobicContact CG1-CB 4.38Å; I50-L241 HydrophobicContact CG1-CD2 4.38Å; I50-L241 HydrophobicContact CG2-CD2 4.32Å; I50-L241 HydrophobicContact CG2-CG 4.34Å; A51-L241 PolarHBondContact N-O 2.76Å; L241-L243 HydrophobicContact CD1-CD1 4.37Å; L241-L243 HydrophobicContact CD2-CD1 3.97Å; L241-L243 HydrophobicContact CG-CD1 3.79Å; L241-P267 HydrophobicContact CD1-CB 4.09Å
242	C	98.9	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.5	174.8	179.9	0	0	0	0	111.8	A51 V261 P267 V268 A269	A51-C242 CarbonylContact O-C 3.04Å; A51-C242 WeakPolarHBondContact O-CA 3.27Å; C242-V261 HydrophobicContact CB-CB 4.34Å; C242-V261 HydrophobicContact CB-CG1 3.71Å; C242-P267 PolarHBondContact N-O 3.2Å; C242-V268 HydrophobicContact CB-CG2 4.15Å; C242-V268 CarbonylContact O-C 3.52Å; C242-V268 VanDerWaalsContact O-CA 3.28Å; C242-V268 WeakPolarHBondContact O-CA 3.25Å; C242-A269 PolarHBondContact O-N 3.44Å
243	L	98.8	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.6	171.7	-72.6	70.3	0	0	0	108.4	F40 I50 A51 V52 I53 L241 V245 A269 F271 L294 L298	F40-L243 HydrophobicContact CE2-CD1 4.41Å; F40-L243 HydrophobicContact CE2-CG 4.49Å; F40-L243 HydrophobicContact CZ-CD1 4.41Å; F40-L243 HydrophobicContact CZ-CD2 4.3Å; F40-L243 HydrophobicContact CZ-CG 4.44Å; I50-L243 HydrophobicContact CG2-CD1 3.66Å; A51-L243 PolarHBondContact O-N 3.37Å; V52-L243 HydrophobicContact CG1-CB 4.34Å; V52-L243 HydrophobicContact CG2-CB 4.42Å; I53-L243 PolarHBondContact N-O 3.36Å; L241-L243 HydrophobicContact CD1-CD1 4.37Å; L241-L243 HydrophobicContact CD2-CD1 3.97Å; L241-L243 HydrophobicContact CG-CD1 3.79Å; L243-V245 HydrophobicContact CB-CG2 4.2Å; L243-A269 WeakPolarHBondContact CA-O 3.15Å; L243-F271 HydrophobicContact CB-CE2 4.4Å; L243-F271 HydrophobicContact CD2-CD2 4.48Å; L243-F271 HydrophobicContact CD2-CE2 3.8Å; L243-F271 HydrophobicContact CD2-CZ 4.42Å; L243-F271 HydrophobicContact CG-CE2 3.91Å; L243-L294 HydrophobicContact CD2-CD2 4.05Å; L243-L298 HydrophobicContact CD2-CD2 3.81Å
244	I	98.3	Very high	95.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.3	172.6	-177.3	167	0	0	0	108.9	I53 T247 A258 V268 A269 E270 F271 F282	I53-I244 WeakPolarHBondContact O-CA 3.22Å; I244-T247 HydrophobicContact CD1-CG2 3.48Å; I244-T247 VanDerWaalsContact CD1-CG2 3.48Å; I244-T247 HydrophobicContact CG1-CG2 3.24Å; I244-A258 HydrophobicContact CB-CB 4.07Å; I244-A258 HydrophobicContact CD1-CB 3.66Å; I244-A258 HydrophobicContact CG1-CB 4.4Å; I244-A258 HydrophobicContact CG2-CB 4.32Å; I244-V268 HydrophobicContact CG2-CG1 4.06Å; I244-A269 PolarHBondContact N-O 3.48Å; I244-E270 HydrophobicContact CG2-CB 3.65Å; I244-E270 HydrophobicContact CG2-CG 3.98Å; I244-E270 CarbonylContact O-C 3.57Å; I244-E270 WeakPolarHBondContact O-CA 3.46Å; I244-F271 PolarHBondContact O-N 2.98Å; I244-F282 HydrophobicContact CD1-CE2 4.42Å; I244-F282 HydrophobicContact CD1-CZ 4.22Å; I244-F282 HydrophobicContact CG2-CD2 4.18Å; I244-F282 HydrophobicContact CG2-CE2 3.81Å; I244-F282 HydrophobicContact CG2-CZ 4.17Å
245	V	98.5	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.1	-162.3	-175.9	0	0	0	0	110.4	V52 I53 T54 G55 V58 L243 T247 F271 C290 L294	V52-V245 HydrophobicContact CG1-CG2 4.14Å; I53-V245 PolarHBondContact O-N 3.26Å; T54-V245 WeakPolarHBondContact CA-O 3.49Å; T54-V245 HydrophobicContact CG2-CB 4.12Å; G55-V245 PolarHBondContact N-O 2.99Å; G55-V245 VanDerWaalsContact N-O 3.08Å; V58-V245 HydrophobicContact CB-CG1 4.23Å; V58-V245 HydrophobicContact CG2-CG1 3.83Å; L243-V245 HydrophobicContact CB-CG2 4.2Å; V245-T247 VanDerWaalsContact C-N 3.34Å; V245-T247 PolarHBondContact O-N 2.85Å; V245-F271 HydrophobicContact CG1-CB 4.38Å; V245-F271 HydrophobicContact CG2-CB 4.39Å; V245-F271 HydrophobicContact CG2-CD2 4.24Å; V245-C290 HydrophobicContact CG1-CB 3.97Å; V245-C290 VanDerWaalsContact CG1-SG 3.55Å; V245-L294 HydrophobicContact CB-CD1 4.49Å; V245-L294 HydrophobicContact CG1-CD1 3.57Å; V245-L294 HydrophobicContact CG1-CG 4.45Å; V245-L294 HydrophobicContact CG2-CD1 4.1Å; V245-L294 HydrophobicContact CG2-CD2 4.25Å
246	G	95.9	Very high	94.7	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.031	18%	0.182	C	C	.	.	S	Bend	trans	57.3	41.9	169.7	0	0	0	0	0	113.9	G55 A56 G57 F271	G55-G246 CarbonylContact C-O 3.56Å; G55-G246 WeakPolarHBondContact CA-O 3.44Å; A56-G246 PolarHBondContact N-O 3.49Å; G57-G246 WeakPolarHBondContact CA-O 3.42Å; G57-G246 PolarHBondContact N-O 3.28Å; G246-F271 PolarHBondContact N-O 3.45Å
247	T	93.9	Very high	94.6	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.037	18%	0.181	C	C	.	.			trans	-121.5	154.7	176.2	-179.5	0	0	0	0	111.3	Q137 I244 V245 S249 N272 T276	Q137-T247 PolarHBondContact NE2-OG1 2.93Å; I244-T247 HydrophobicContact CD1-CG2 3.48Å; I244-T247 VanDerWaalsContact CD1-CG2 3.48Å; I244-T247 HydrophobicContact CG1-CG2 3.24Å; V245-T247 VanDerWaalsContact C-N 3.34Å; V245-T247 PolarHBondContact O-N 2.85Å; T247-S249 VanDerWaalsContact C-N 3.34Å; T247-S249 PolarHBondContact OG1-N 3.5Å; T247-N272 PolarHBondContact O-ND2 3.15Å; T247-T276 WeakPolarHBondContact O-CG2 3.48Å
248	S	91.1	Very high	94.6	Very high	26 Å²	26	27.8 Å²	27.8	18%	0.182	15%	0.154	C	C	.	.			trans	-80.8	-15.6	174.2	52.2	0	0	0	0	114.3	V250	S248-V250 WeakPolarHBondContact O-CG1 3.18Å; S248-V250 PolarHBondContact O-N 3.17Å; S248-V250 VanDerWaalsContact OG-CG2 3.29Å; S248-V250 WeakPolarHBondContact OG-CG2 3.33Å
249	S	90.7	Very high	94.6	Very high	11 Å²	11	25 Å²	25	8%	0.077	14%	0.135	C	C	.	.	S	Bend	trans	55.1	37.2	-174.8	-53	0	0	0	0	112.6	T247 A255	T247-S249 VanDerWaalsContact C-N 3.34Å; T247-S249 PolarHBondContact OG1-N 3.5Å; S249-A255 VanDerWaalsContact C-CB 3.5Å; S249-A255 WeakPolarHBondContact O-CB 3.49Å
250	V	88.8	Confident	94.5	Very high	83 Å²	83	29.8 Å²	29.8	50%	0.503	16%	0.156	S	C	.	.			trans	-117.4	-24.3	178	-53.1	0	0	0	0	114.2	S248 Y252	S248-V250 WeakPolarHBondContact O-CG1 3.18Å; S248-V250 PolarHBondContact O-N 3.17Å; S248-V250 VanDerWaalsContact OG-CG2 3.29Å; S248-V250 WeakPolarHBondContact OG-CG2 3.33Å; V250-Y252 WeakPolarHBondContact O-CD2 3.4Å
251	V	86.2	Confident	94.5	Very high	46 Å²	46	27.3 Å²	27.3	28%	0.279	14%	0.143	S	C	.	.	S	Bend	trans	-89.1	116.5	-176.5	-178.1	0	0	0	0	109.4	F220 A254 A255	F220-V251 HydrophobicContact CE1-CG1 4.33Å; V251-A254 PolarHBondContact O-N 2.78Å; V251-A255 WeakPolarHBondContact O-CB 3.37Å; V251-A255 PolarHBondContact O-N 3.42Å
252	Y	88.8	Confident	94.4	Very high	156 Å²	156	28.3 Å²	28.3	61%	0.612	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	148.1	177.5	-75.8	-101	0	0	0	111.1	V250 A255 M256	V250-Y252 WeakPolarHBondContact O-CD2 3.4Å; Y252-A255 HydrophobicContact CD2-CB 4.29Å; Y252-A255 HydrophobicContact CE2-CB 4.23Å; Y252-M256 HydrophobicContact CD1-CG 3.69Å; Y252-M256 HydrophobicContact CE1-CG 3.26Å; Y252-M256 HydrophobicContact CE1-SD 3.67Å
253	P	89.9	Confident	94.3	Very high	45 Å²	45	32.6 Å²	32.6	29%	0.292	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83	-13.7	4.8	33.1	-35.3	0	0	0	114.8	L224 A255 M256 F257	L224-P253 VanDerWaalsContact CD1-CD 3.41Å; L224-P253 HydrophobicContact CD1-CG 3.79Å; L224-P253 HydrophobicContact CD2-CG 3.87Å; L224-P253 HydrophobicContact CG-CG 4.45Å; P253-A255 PolarHBondContact O-N 2.97Å; P253-A255 VanDerWaalsContact O-N 3.1Å; P253-M256 PolarHBondContact O-N 3.42Å; P253-F257 HydrophobicContact CB-CE1 4.36Å; P253-F257 HydrophobicContact CG-CZ 4.47Å
254	A	91.7	Very high	94.2	Very high	2 Å²	2	38 Å²	38	2%	0.017	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.1	-30.7	-171.8	0	0	0	0	0	114.6	Q137 I154 V251 M256 F257	Q137-A254 HydrophobicContact CG-CB 3.7Å; I154-A254 HydrophobicContact CD1-CB 3.82Å; V251-A254 PolarHBondContact O-N 2.78Å; A254-M256 PolarHBondContact O-N 3.32Å; A254-M256 VanDerWaalsContact O-N 3.13Å; A254-F257 HydrophobicContact CB-CD2 4.3Å; A254-F257 HydrophobicContact CB-CE2 4.19Å; A254-F257 PolarHBondContact O-N 2.93Å
255	A	92.4	Very high	94.2	Very high	7 Å²	7	41 Å²	41	6%	0.058	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-57.2	-22.7	174.6	0	0	0	0	0	114.1	S249 V251 Y252 P253 P259	S249-A255 VanDerWaalsContact C-CB 3.5Å; S249-A255 WeakPolarHBondContact O-CB 3.49Å; V251-A255 WeakPolarHBondContact O-CB 3.37Å; V251-A255 PolarHBondContact O-N 3.42Å; Y252-A255 HydrophobicContact CD2-CB 4.29Å; Y252-A255 HydrophobicContact CE2-CB 4.23Å; P253-A255 PolarHBondContact O-N 2.97Å; P253-A255 VanDerWaalsContact O-N 3.1Å; A255-P259 VanDerWaalsContact O-CD 3.31Å; A255-P259 WeakPolarHBondContact O-CD 3.49Å; A255-P259 WeakPolarHBondContact O-CG 3.32Å
256	M	94.6	Very high	94.2	Very high	64 Å²	64	42.1 Å²	42.1	32%	0.315	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-90.8	-16.7	-179.5	-70.5	-58.9	-60.3	0	0	114.6	Y252 P253 A254 P259 Q260	Y252-M256 HydrophobicContact CD1-CG 3.69Å; Y252-M256 HydrophobicContact CE1-CG 3.26Å; Y252-M256 HydrophobicContact CE1-SD 3.67Å; P253-M256 PolarHBondContact O-N 3.42Å; A254-M256 PolarHBondContact O-N 3.32Å; A254-M256 VanDerWaalsContact O-N 3.13Å; M256-P259 WeakPolarHBondContact O-CD 3.33Å; M256-Q260 WeakPolarHBondContact O-CB 3.47Å; M256-Q260 VanDerWaalsContact O-CG 3.23Å; M256-Q260 WeakPolarHBondContact O-CG 3.42Å; M256-Q260 PolarHBondContact O-N 3.05Å; M256-Q260 PolarHBondContact O-OE1 3.29Å
257	F	97.1	Very high	94.3	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-55.2	-172.6	-66.9	-10.3	0	0	0	112.6	I53 I135 I154 L229 L236 P253 A254 Q260 V261	I53-F257 HydrophobicContact CD1-CB 3.64Å; I135-F257 HydrophobicContact CG2-CD2 4.37Å; I135-F257 HydrophobicContact CG2-CE2 4.22Å; I154-F257 HydrophobicContact CD1-CE2 3.84Å; L229-F257 HydrophobicContact CD1-CE1 4.01Å; L229-F257 HydrophobicContact CD1-CZ 3.68Å; L236-F257 HydrophobicContact CD1-CB 3.59Å; L236-F257 HydrophobicContact CD1-CD1 3.81Å; L236-F257 HydrophobicContact CD1-CD2 3.98Å; L236-F257 HydrophobicContact CD1-CE1 4.47Å; L236-F257 HydrophobicContact CD1-CG 3.54Å; L236-F257 HydrophobicContact CD2-CB 4.22Å; P253-F257 HydrophobicContact CB-CE1 4.36Å; P253-F257 HydrophobicContact CG-CZ 4.47Å; A254-F257 HydrophobicContact CB-CD2 4.3Å; A254-F257 HydrophobicContact CB-CE2 4.19Å; A254-F257 PolarHBondContact O-N 2.93Å; F257-Q260 PolarHBondContact O-N 2.77Å; F257-V261 WeakPolarHBondContact O-CG2 3.45Å; F257-V261 PolarHBondContact O-N 2.94Å; F257-V261 VanDerWaalsContact O-N 3.14Å
258	A	97.4	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-41.4	179.2	0	0	0	0	0	113	I53 I244 Q260 V261 A262 V268 F282	I53-A258 HydrophobicContact CD1-CB 3.89Å; I244-A258 HydrophobicContact CB-CB 4.07Å; I244-A258 HydrophobicContact CD1-CB 3.66Å; I244-A258 HydrophobicContact CG1-CB 4.4Å; I244-A258 HydrophobicContact CG2-CB 4.32Å; A258-Q260 VanDerWaalsContact C-N 3.3Å; A258-Q260 PolarHBondContact O-N 2.93Å; A258-V261 PolarHBondContact O-N 3.45Å; A258-A262 PolarHBondContact O-N 3.27Å; A258-V268 HydrophobicContact CB-CG1 4.09Å; A258-F282 HydrophobicContact CB-CE1 3.77Å; A258-F282 HydrophobicContact CB-CZ 3.78Å
259	P	97.1	Very high	94.9	Very high	10 Å²	10	41.8 Å²	41.8	7%	0.065	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-37.7	171.3	-30.6	37	0	0	0	114.7	A255 M256 A262 A263 A278 F282	A255-P259 VanDerWaalsContact O-CD 3.31Å; A255-P259 WeakPolarHBondContact O-CD 3.49Å; A255-P259 WeakPolarHBondContact O-CG 3.32Å; M256-P259 WeakPolarHBondContact O-CD 3.33Å; P259-A262 PolarHBondContact O-N 3.43Å; P259-A263 WeakPolarHBondContact O-CB 3.43Å; P259-A263 PolarHBondContact O-N 3.03Å; P259-A278 HydrophobicContact CG-CB 4.16Å; P259-F282 HydrophobicContact CG-CE1 4.26Å; P259-F282 HydrophobicContact CG-CZ 4.27Å
260	Q	96.5	Very high	95.2	Very high	105 Å²	105	41.2 Å²	41.2	49%	0.491	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-42	176	-76.1	169.4	-44.4	0	0	111.4	M256 F257 A258 A263	M256-Q260 WeakPolarHBondContact O-CB 3.47Å; M256-Q260 VanDerWaalsContact O-CG 3.23Å; M256-Q260 WeakPolarHBondContact O-CG 3.42Å; M256-Q260 PolarHBondContact O-N 3.05Å; M256-Q260 PolarHBondContact O-OE1 3.29Å; F257-Q260 PolarHBondContact O-N 2.77Å; A258-Q260 VanDerWaalsContact C-N 3.3Å; A258-Q260 PolarHBondContact O-N 2.93Å; Q260-A263 PolarHBondContact O-N 3.2Å
261	V	98.2	Very high	95.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-48.1	173.9	175.7	0	0	0	0	111	L236 C242 F257 A258 A263 R264 V266 V268	L236-V261 HydrophobicContact CB-CG2 4.09Å; L236-V261 HydrophobicContact CD2-CG2 3.75Å; C242-V261 HydrophobicContact CB-CB 4.34Å; C242-V261 HydrophobicContact CB-CG1 3.71Å; F257-V261 WeakPolarHBondContact O-CG2 3.45Å; F257-V261 PolarHBondContact O-N 2.94Å; F257-V261 VanDerWaalsContact O-N 3.14Å; A258-V261 PolarHBondContact O-N 3.45Å; V261-A263 VanDerWaalsContact C-N 3.3Å; V261-A263 PolarHBondContact O-N 2.9Å; V261-R264 PolarHBondContact O-N 3.13Å; V261-R264 VanDerWaalsContact O-N 3.1Å; V261-V266 HydrophobicContact CG1-CB 3.52Å; V261-V266 HydrophobicContact CG1-CG1 3.47Å; V261-V266 VanDerWaalsContact CG1-CG1 3.47Å; V261-V266 HydrophobicContact CG1-CG2 4.35Å; V261-V268 HydrophobicContact CB-CG2 4.29Å; V261-V268 HydrophobicContact CG1-CG2 4.02Å
262	A	97.6	Very high	96.1	Very high	22 Å²	22	35.7 Å²	35.7	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-39.2	178.3	0	0	0	0	0	112.7	A258 P259 R264 G265 V268 F282	A258-A262 PolarHBondContact O-N 3.27Å; P259-A262 PolarHBondContact O-N 3.43Å; A262-R264 PolarHBondContact O-N 3.42Å; A262-G265 PolarHBondContact O-N 2.92Å; A262-V268 HydrophobicContact CB-CB 4.49Å; A262-V268 HydrophobicContact CB-CG2 3.71Å; A262-F282 HydrophobicContact CB-CD1 4.26Å
263	A	96.9	Very high	96.3	Very high	90 Å²	90	32.8 Å²	32.8	74%	0.744	20%	0.199	S	C	*	.	H	α-helix	trans	-63.2	-21.2	178.8	0	0	0	0	0	113.6	P259 Q260 V261 G265	P259-A263 WeakPolarHBondContact O-CB 3.43Å; P259-A263 PolarHBondContact O-N 3.03Å; Q260-A263 PolarHBondContact O-N 3.2Å; V261-A263 VanDerWaalsContact C-N 3.3Å; V261-A263 PolarHBondContact O-N 2.9Å; A263-G265 VanDerWaalsContact C-N 3.29Å
264	R	97.1	Very high	96.3	Very high	112 Å²	112	35.8 Å²	35.8	42%	0.423	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.2	173.4	-60	-175	-56.7	113.2	6.4	113.3	L236 D237 V261 A262 V266	L236-R264 PolarHBondContact O-NH2 2.96Å; D237-R264 PolarHBondContact O-NH1 3.08Å; D237-R264 PolarHBondContact O-NH2 2.91Å; V261-R264 PolarHBondContact O-N 3.13Å; V261-R264 VanDerWaalsContact O-N 3.1Å; A262-R264 PolarHBondContact O-N 3.42Å; R264-V266 VanDerWaalsContact C-N 3.31Å; R264-V266 HydrophobicContact CB-CG2 4.47Å
265	G	97.1	Very high	96.4	Very high	67 Å²	67	40 Å²	40	69%	0.691	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	5.4	-176.3	0	0	0	0	0	114.3	A262 A263	A262-G265 PolarHBondContact O-N 2.92Å; A263-G265 VanDerWaalsContact C-N 3.29Å
266	V	98.5	Very high	96.4	Very high	22 Å²	22	40.4 Å²	40.4	13%	0.133	23%	0.233	C	C	.	.			trans	-73.3	132.6	175.1	175	0	0	0	0	109.4	V261 R264 V268	V261-V266 HydrophobicContact CG1-CB 3.52Å; V261-V266 HydrophobicContact CG1-CG1 3.47Å; V261-V266 VanDerWaalsContact CG1-CG1 3.47Å; V261-V266 HydrophobicContact CG1-CG2 4.35Å; R264-V266 VanDerWaalsContact C-N 3.31Å; R264-V266 HydrophobicContact CB-CG2 4.47Å; V266-V268 PolarHBondContact O-N 3.06Å
267	P	98.4	Very high	96.3	Very high	27 Å²	27	42.6 Å²	42.6	18%	0.175	25%	0.252	C	S	.	.			trans	-58.5	128.4	177.1	-25.8	36	0	0	0	112.2	I43 L241 C242 K283	I43-P267 HydrophobicContact CD1-CB 4.2Å; I43-P267 HydrophobicContact CD1-CG 4.12Å; I43-P267 HydrophobicContact CG2-CB 4.05Å; I43-P267 HydrophobicContact CG2-CG 3.9Å; L241-P267 HydrophobicContact CD1-CB 4.09Å; C242-P267 PolarHBondContact N-O 3.2Å; P267-K283 HydrophobicContact CB-CD 4.16Å
268	V	98.7	Very high	96	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131	172.7	-174.9	0	0	0	0	109.7	C242 I244 A258 V261 A262 V266 F282 K283 F284	C242-V268 HydrophobicContact CB-CG2 4.15Å; C242-V268 CarbonylContact O-C 3.52Å; C242-V268 VanDerWaalsContact O-CA 3.28Å; C242-V268 WeakPolarHBondContact O-CA 3.25Å; I244-V268 HydrophobicContact CG2-CG1 4.06Å; A258-V268 HydrophobicContact CB-CG1 4.09Å; V261-V268 HydrophobicContact CB-CG2 4.29Å; V261-V268 HydrophobicContact CG1-CG2 4.02Å; A262-V268 HydrophobicContact CB-CB 4.49Å; A262-V268 HydrophobicContact CB-CG2 3.71Å; V266-V268 PolarHBondContact O-N 3.06Å; V268-F282 HydrophobicContact CB-CB 4.2Å; V268-F282 HydrophobicContact CB-CD1 3.67Å; V268-F282 HydrophobicContact CB-CE1 4.38Å; V268-F282 HydrophobicContact CB-CG 4.15Å; V268-F282 HydrophobicContact CG1-CB 4.22Å; V268-F282 HydrophobicContact CG1-CD1 3.4Å; V268-F282 VanDerWaalsContact CG1-CD1 3.4Å; V268-F282 HydrophobicContact CG1-CD2 4.46Å; V268-F282 HydrophobicContact CG1-CE1 3.78Å; V268-F282 HydrophobicContact CG1-CG 3.78Å; V268-F282 HydrophobicContact CG1-CZ 4.44Å; V268-F282 HydrophobicContact CG2-CD1 4.27Å; V268-K283 PolarHBondContact O-N 3.31Å; V268-F284 PolarHBondContact O-N 3.42Å
269	A	98.5	Very high	95.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.2	174	0	0	0	0	0	111	F40 C242 L243 I244 F271 F284 F286	F40-A269 HydrophobicContact CD2-CB 3.69Å; F40-A269 HydrophobicContact CE2-CB 3.56Å; C242-A269 PolarHBondContact O-N 3.44Å; L243-A269 WeakPolarHBondContact CA-O 3.15Å; I244-A269 PolarHBondContact N-O 3.48Å; A269-F271 HydrophobicContact CB-CE2 3.76Å; A269-F271 HydrophobicContact CB-CZ 4.4Å; A269-F284 HydrophobicContact CB-CB 3.93Å; A269-F284 HydrophobicContact CB-CD2 4.17Å; A269-F284 HydrophobicContact CB-CG 4.5Å; A269-F286 HydrophobicContact CB-CD2 4.43Å; A269-F286 HydrophobicContact CB-CE2 4.1Å
270	E	98.3	Very high	95.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.5	173.4	-178.5	176.2	-126.2	0	0	110.8	I244 N272 T276 T279 F282 F284 H285 F286	I244-E270 HydrophobicContact CG2-CB 3.65Å; I244-E270 HydrophobicContact CG2-CG 3.98Å; I244-E270 CarbonylContact O-C 3.57Å; I244-E270 WeakPolarHBondContact O-CA 3.46Å; E270-N272 HydrophobicContact CG-CB 4.08Å; E270-T276 WeakPolarHBondContact OE1-CB 3.22Å; E270-T276 WeakPolarHBondContact OE1-CG2 3.4Å; E270-T276 PolarHBondContact OE1-OG1 2.87Å; E270-T279 VanDerWaalsContact OE2-CB 3.31Å; E270-T279 WeakPolarHBondContact OE2-CB 3.49Å; E270-T279 WeakPolarHBondContact OE2-CG2 3.24Å; E270-T279 PolarHBondContact OE2-OG1 2.65Å; E270-F282 HydrophobicContact CB-CD2 3.77Å; E270-F282 HydrophobicContact CB-CE2 4.3Å; E270-F282 HydrophobicContact CG-CD2 4.42Å; E270-F284 PolarHBondContact N-O 3.02Å; E270-H285 CarbonylContact O-C 3.59Å; E270-H285 WeakPolarHBondContact O-CA 3.48Å; E270-H285 IonicContact OE2-CE1 2.81Å; E270-H285 IonicContact OE2-CG 3.84Å; E270-H285 IonicContact OE2-ND1 3.06Å; E270-H285 PolarHBondContact OE2-ND1 2.88Å; E270-F286 PolarHBondContact O-N 2.98Å
271	F	97.9	Very high	95.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	109	173.3	-65.3	-95.3	0	0	0	108	F40 L243 I244 V245 G246 A269 F286 T293 L294 A297	F40-F271 HydrophobicContact CE1-CZ 4.47Å; F40-F271 HydrophobicContact CZ-CZ 4.22Å; L243-F271 HydrophobicContact CB-CE2 4.4Å; L243-F271 HydrophobicContact CD2-CD2 4.48Å; L243-F271 HydrophobicContact CD2-CE2 3.8Å; L243-F271 HydrophobicContact CD2-CZ 4.42Å; L243-F271 HydrophobicContact CG-CE2 3.91Å; I244-F271 PolarHBondContact O-N 2.98Å; V245-F271 HydrophobicContact CG1-CB 4.38Å; V245-F271 HydrophobicContact CG2-CB 4.39Å; V245-F271 HydrophobicContact CG2-CD2 4.24Å; G246-F271 PolarHBondContact N-O 3.45Å; A269-F271 HydrophobicContact CB-CE2 3.76Å; A269-F271 HydrophobicContact CB-CZ 4.4Å; F271-F286 HydrophobicContact CD1-CB 3.59Å; F271-F286 AromaticContact CD1-CD2 3.78Å; F271-F286 HydrophobicContact CD1-CD2 3.78Å; F271-F286 HydrophobicContact CD1-CG 4.01Å; F271-F286 HydrophobicContact CD2-CD2 4.39Å; F271-F286 HydrophobicContact CE1-CB 3.81Å; F271-F286 AromaticContact CE1-CD2 3.25Å; F271-F286 HydrophobicContact CE1-CD2 3.25Å; F271-F286 AromaticContact CE1-CE2 3.99Å; F271-F286 HydrophobicContact CE1-CE2 3.99Å; F271-F286 AromaticContact CE1-CG 3.7Å; F271-F286 HydrophobicContact CE1-CG 3.7Å; F271-F286 AromaticContact CE2-CD2 3.91Å; F271-F286 HydrophobicContact CE2-CD2 3.91Å; F271-F286 HydrophobicContact CE2-CE2 4.36Å; F271-F286 HydrophobicContact CG-CB 4.32Å; F271-F286 HydrophobicContact CG-CD2 4.34Å; F271-F286 AromaticContact CZ-CD2 3.32Å; F271-F286 HydrophobicContact CZ-CD2 3.32Å; F271-F286 AromaticContact CZ-CE2 3.7Å; F271-F286 HydrophobicContact CZ-CE2 3.7Å; F271-F286 HydrophobicContact CZ-CG 4.23Å; F271-T293 WeakPolarHBondContact CD1-OG1 3.4Å; F271-L294 HydrophobicContact CD1-CD2 3.9Å; F271-L294 HydrophobicContact CD1-CG 4.28Å; F271-L294 HydrophobicContact CD2-CD2 3.88Å; F271-L294 HydrophobicContact CE1-CD2 3.93Å; F271-L294 HydrophobicContact CE2-CD2 3.94Å; F271-L294 HydrophobicContact CG-CD2 3.85Å; F271-L294 HydrophobicContact CG-CG 4.36Å; F271-L294 HydrophobicContact CZ-CD2 3.95Å; F271-A297 HydrophobicContact CE1-CB 3.69Å; F271-A297 HydrophobicContact CZ-CB 3.7Å
272	N	96.1	Very high	95.2	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.064	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	157.9	-171.4	-145.4	-16.8	0	0	0	113.1	T247 E270 E274 T276 F286 H287 G288	T247-N272 PolarHBondContact O-ND2 3.15Å; E270-N272 HydrophobicContact CG-CB 4.08Å; N272-E274 VanDerWaalsContact C-N 3.31Å; N272-E274 WeakPolarHBondContact CB-O 3.44Å; N272-T276 WeakPolarHBondContact ND2-CG2 3.36Å; N272-F286 PolarHBondContact N-O 3Å; N272-F286 VanDerWaalsContact N-O 3.15Å; N272-H287 CarbonylContact O-C 3.53Å; N272-H287 VanDerWaalsContact O-CA 3.31Å; N272-H287 WeakPolarHBondContact O-CA 3.39Å; N272-G288 CarbonylContact C-O 3.57Å; N272-G288 PolarHBondContact O-N 3.2Å
273	L	92.6	Very high	95.2	Very high	95 Å²	95	58 Å²	58	50%	0.497	31%	0.312	S	S	.	.	S	Bend	trans	-76.9	-20.5	173.6	-71.3	171.1	0	0	0	112.8	H287 P289	L273-H287 PolarHBondContact O-CD2 3.1Å; L273-H287 PolarHBondContact O-NE2 3.34Å; L273-P289 HydrophobicContact CD2-CG 4.1Å
274	E	90.5	Very high	95.2	Very high	108 Å²	108	54.1 Å²	54.1	51%	0.505	28%	0.278	S	S	.	.	S	Bend	trans	-142.3	156.1	-175	-64.4	174.5	-179	0	0	109.9	R68 N272	R68-E274 IonicContact CZ-OE2 2.76Å; R68-E274 IonicContact NH1-OE2 3.51Å; R68-E274 PolarHBondContact NH1-OE2 3.1Å; N272-E274 VanDerWaalsContact C-N 3.31Å; N272-E274 WeakPolarHBondContact CB-O 3.44Å
275	N	92.8	Very high	95.2	Very high	92 Å²	92	50.2 Å²	50.2	49%	0.492	27%	0.265	S	S	.	.			trans	-64	145.8	166	-67.4	-17.5	0	0	0	110.1	T279 H285	N275-T279 WeakPolarHBondContact CA-OG1 3.28Å; N275-T279 HydrophobicContact CB-CG2 4.48Å; N275-H285 PolarHBondContact OD1-NE2 2.72Å
276	T	92.6	Very high	95.2	Very high	14 Å²	14	48 Å²	48	9%	0.086	24%	0.236	C	C	.	.			trans	-112.2	166.7	174.2	72.8	0	0	0	0	110.2	T247 E270 N272 A278 T279	T247-T276 WeakPolarHBondContact O-CG2 3.48Å; E270-T276 WeakPolarHBondContact OE1-CB 3.22Å; E270-T276 WeakPolarHBondContact OE1-CG2 3.4Å; E270-T276 PolarHBondContact OE1-OG1 2.87Å; N272-T276 WeakPolarHBondContact ND2-CG2 3.36Å; T276-A278 PolarHBondContact O-N 3.33Å; T276-A278 PolarHBondContact OG1-N 3.41Å; T276-T279 PolarHBondContact N-OG1 3.08Å; T276-T279 PolarHBondContact O-N 3.35Å; T276-T279 VanDerWaalsContact O-N 3.1Å; T276-T279 PolarHBondContact O-OG1 3.49Å; T276-T279 PolarHBondContact OG1-N 2.93Å; T276-T279 PolarHBondContact OG1-OG1 3.13Å
277	P	91.8	Very high	95.1	Very high	110 Å²	110	53.3 Å²	53.3	71%	0.714	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.3	171.7	-25.3	36	0	0	0	114.2
278	A	90.6	Very high	94.9	Very high	6 Å²	6	52.3 Å²	52.3	5%	0.05	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-10.8	-180	0	0	0	0	0	113.9	P259 T276 E280 R281 F282	P259-A278 HydrophobicContact CG-CB 4.16Å; T276-A278 PolarHBondContact O-N 3.33Å; T276-A278 PolarHBondContact OG1-N 3.41Å; A278-E280 VanDerWaalsContact C-N 3.33Å; A278-E280 PolarHBondContact O-N 2.83Å; A278-R281 VanDerWaalsContact O-CB 3.25Å; A278-R281 WeakPolarHBondContact O-CB 3.42Å; A278-R281 PolarHBondContact O-N 2.86Å; A278-F282 HydrophobicContact CB-CE1 4.44Å; A278-F282 HydrophobicContact CB-CE2 3.65Å; A278-F282 HydrophobicContact CB-CZ 3.51Å; A278-F282 WeakPolarHBondContact O-CD2 3.29Å; A278-F282 WeakPolarHBondContact O-CE2 3.42Å
279	T	92.4	Very high	94.8	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.025	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-52.4	-45.6	-172.5	-62.8	0	0	0	0	113.4	E270 N275 T276 R281 F282 H285	E270-T279 VanDerWaalsContact OE2-CB 3.31Å; E270-T279 WeakPolarHBondContact OE2-CB 3.49Å; E270-T279 WeakPolarHBondContact OE2-CG2 3.24Å; E270-T279 PolarHBondContact OE2-OG1 2.65Å; N275-T279 WeakPolarHBondContact CA-OG1 3.28Å; N275-T279 HydrophobicContact CB-CG2 4.48Å; T276-T279 PolarHBondContact N-OG1 3.08Å; T276-T279 PolarHBondContact O-N 3.35Å; T276-T279 VanDerWaalsContact O-N 3.1Å; T276-T279 PolarHBondContact O-OG1 3.49Å; T276-T279 PolarHBondContact OG1-N 2.93Å; T276-T279 PolarHBondContact OG1-OG1 3.13Å; T279-R281 PolarHBondContact O-N 3.23Å; T279-F282 PolarHBondContact O-N 3.31Å; T279-H285 HydrophobicContact CG2-CB 4.1Å
280	E	93.1	Very high	94.7	Very high	145 Å²	145	54.7 Å²	54.7	68%	0.678	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-68.2	-6.2	-178.6	-56.9	-53	143.4	0	0	114	R30 A278	R30-E280 IonicContact CZ-OE1 3.33Å; R30-E280 IonicContact NH2-OE1 2.68Å; R30-E280 PolarHBondContact NH2-OE1 3.39Å; R30-E280 IonicContact NH2-OE2 3.44Å; R30-E280 PolarHBondContact NH2-OE2 3.37Å; A278-E280 VanDerWaalsContact C-N 3.33Å; A278-E280 PolarHBondContact O-N 2.83Å
281	R	92.6	Very high	94.7	Very high	161 Å²	161	54.9 Å²	54.9	61%	0.608	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-90	-12.5	175.2	-55	-179.2	177.5	-132	0.3	112.6	A278 T279	A278-R281 VanDerWaalsContact O-CB 3.25Å; A278-R281 WeakPolarHBondContact O-CB 3.42Å; A278-R281 PolarHBondContact O-N 2.86Å; T279-R281 PolarHBondContact O-N 3.23Å
282	F	96.1	Very high	94.7	Very high	21 Å²	21	60.2 Å²	60.2	9%	0.092	30%	0.3	C	S	.	.	S	Bend	trans	-101.3	151.8	-171.1	-54.5	-38.4	0	0	0	112	I244 A258 P259 A262 V268 E270 A278 T279	I244-F282 HydrophobicContact CD1-CE2 4.42Å; I244-F282 HydrophobicContact CD1-CZ 4.22Å; I244-F282 HydrophobicContact CG2-CD2 4.18Å; I244-F282 HydrophobicContact CG2-CE2 3.81Å; I244-F282 HydrophobicContact CG2-CZ 4.17Å; A258-F282 HydrophobicContact CB-CE1 3.77Å; A258-F282 HydrophobicContact CB-CZ 3.78Å; P259-F282 HydrophobicContact CG-CE1 4.26Å; P259-F282 HydrophobicContact CG-CZ 4.27Å; A262-F282 HydrophobicContact CB-CD1 4.26Å; V268-F282 HydrophobicContact CB-CB 4.2Å; V268-F282 HydrophobicContact CB-CD1 3.67Å; V268-F282 HydrophobicContact CB-CE1 4.38Å; V268-F282 HydrophobicContact CB-CG 4.15Å; V268-F282 HydrophobicContact CG1-CB 4.22Å; V268-F282 HydrophobicContact CG1-CD1 3.4Å; V268-F282 VanDerWaalsContact CG1-CD1 3.4Å; V268-F282 HydrophobicContact CG1-CD2 4.46Å; V268-F282 HydrophobicContact CG1-CE1 3.78Å; V268-F282 HydrophobicContact CG1-CG 3.78Å; V268-F282 HydrophobicContact CG1-CZ 4.44Å; V268-F282 HydrophobicContact CG2-CD1 4.27Å; E270-F282 HydrophobicContact CB-CD2 3.77Å; E270-F282 HydrophobicContact CB-CE2 4.3Å; E270-F282 HydrophobicContact CG-CD2 4.42Å; A278-F282 HydrophobicContact CB-CE1 4.44Å; A278-F282 HydrophobicContact CB-CE2 3.65Å; A278-F282 HydrophobicContact CB-CZ 3.51Å; A278-F282 WeakPolarHBondContact O-CD2 3.29Å; A278-F282 WeakPolarHBondContact O-CE2 3.42Å; T279-F282 PolarHBondContact O-N 3.31Å
283	K	96.9	Very high	94.8	Very high	132 Å²	132	60.9 Å²	60.9	57%	0.574	31%	0.305	S	S	*	.	S	Bend	trans	-72.9	-37	-178.5	-174.5	171.5	-177.8	168.6	0	111.7	I43 P267 V268	I43-K283 HydrophobicContact CD1-CD 4.28Å; P267-K283 HydrophobicContact CB-CD 4.16Å; V268-K283 PolarHBondContact O-N 3.31Å
284	F	97.7	Very high	95.1	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.8	179.6	-52.5	-78.2	0	0	0	110.9	D36 A39 F40 I43 V268 A269 E270 F286	D36-F284 HydrophobicContact CB-CD1 4.4Å; A39-F284 HydrophobicContact CB-CE1 3.94Å; A39-F284 HydrophobicContact CB-CZ 4.28Å; F40-F284 HydrophobicContact CB-CD1 4.33Å; F40-F284 HydrophobicContact CB-CD2 4.29Å; F40-F284 HydrophobicContact CB-CE1 4.25Å; F40-F284 HydrophobicContact CB-CE2 4.2Å; F40-F284 HydrophobicContact CB-CG 4.34Å; F40-F284 HydrophobicContact CB-CZ 4.17Å; F40-F284 HydrophobicContact CD2-CD2 4.06Å; F40-F284 HydrophobicContact CD2-CE2 4.3Å; I43-F284 HydrophobicContact CD1-CE2 3.73Å; I43-F284 HydrophobicContact CD1-CZ 3.73Å; V268-F284 PolarHBondContact O-N 3.42Å; A269-F284 HydrophobicContact CB-CB 3.93Å; A269-F284 HydrophobicContact CB-CD2 4.17Å; A269-F284 HydrophobicContact CB-CG 4.5Å; E270-F284 PolarHBondContact N-O 3.02Å; F284-F286 HydrophobicContact CB-CD2 4.42Å; F284-F286 HydrophobicContact CB-CE2 3.78Å; F284-F286 HydrophobicContact CB-CZ 4.1Å; F284-F286 HydrophobicContact CD1-CZ 4.5Å; F284-F286 HydrophobicContact CG-CE2 4.4Å; F284-F286 HydrophobicContact CG-CZ 4.43Å
285	H	96.7	Very high	95.4	Very high	30 Å²	30	53.4 Å²	53.4	14%	0.139	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	116	168.5	175	87.6	0	0	0	109	E270 N275 T279	E270-H285 CarbonylContact O-C 3.59Å; E270-H285 WeakPolarHBondContact O-CA 3.48Å; E270-H285 IonicContact OE2-CE1 2.81Å; E270-H285 IonicContact OE2-CG 3.84Å; E270-H285 IonicContact OE2-ND1 3.06Å; E270-H285 PolarHBondContact OE2-ND1 2.88Å; N275-H285 PolarHBondContact OD1-NE2 2.72Å; T279-H285 HydrophobicContact CG2-CB 4.1Å
286	F	96.9	Very high	95.7	Very high	19 Å²	19	52 Å²	52	8%	0.083	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.7	176.2	-62.3	-68.7	0	0	0	109.1	D36 L37 F40 A269 E270 F271 N272 F284	D36-F286 HydrophobicContact CB-CE1 4.14Å; L37-F286 HydrophobicContact CB-CE1 4.11Å; L37-F286 HydrophobicContact CD1-CE1 4.27Å; L37-F286 HydrophobicContact CD1-CZ 4.36Å; F40-F286 HydrophobicContact CB-CE2 4.06Å; F40-F286 HydrophobicContact CB-CZ 3.65Å; F40-F286 HydrophobicContact CD1-CE2 4.4Å; F40-F286 HydrophobicContact CD1-CZ 4.45Å; F40-F286 HydrophobicContact CD2-CE2 4.08Å; F40-F286 AromaticContact CG-CE2 3.9Å; F40-F286 HydrophobicContact CG-CE2 3.9Å; F40-F286 AromaticContact CG-CZ 3.96Å; F40-F286 HydrophobicContact CG-CZ 3.96Å; A269-F286 HydrophobicContact CB-CD2 4.43Å; A269-F286 HydrophobicContact CB-CE2 4.1Å; E270-F286 PolarHBondContact O-N 2.98Å; F271-F286 HydrophobicContact CD1-CB 3.59Å; F271-F286 AromaticContact CD1-CD2 3.78Å; F271-F286 HydrophobicContact CD1-CD2 3.78Å; F271-F286 HydrophobicContact CD1-CG 4.01Å; F271-F286 HydrophobicContact CD2-CD2 4.39Å; F271-F286 HydrophobicContact CE1-CB 3.81Å; F271-F286 AromaticContact CE1-CD2 3.25Å; F271-F286 HydrophobicContact CE1-CD2 3.25Å; F271-F286 AromaticContact CE1-CE2 3.99Å; F271-F286 HydrophobicContact CE1-CE2 3.99Å; F271-F286 AromaticContact CE1-CG 3.7Å; F271-F286 HydrophobicContact CE1-CG 3.7Å; F271-F286 AromaticContact CE2-CD2 3.91Å; F271-F286 HydrophobicContact CE2-CD2 3.91Å; F271-F286 HydrophobicContact CE2-CE2 4.36Å; F271-F286 HydrophobicContact CG-CB 4.32Å; F271-F286 HydrophobicContact CG-CD2 4.34Å; F271-F286 AromaticContact CZ-CD2 3.32Å; F271-F286 HydrophobicContact CZ-CD2 3.32Å; F271-F286 AromaticContact CZ-CE2 3.7Å; F271-F286 HydrophobicContact CZ-CE2 3.7Å; F271-F286 HydrophobicContact CZ-CG 4.23Å; N272-F286 PolarHBondContact N-O 3Å; N272-F286 VanDerWaalsContact N-O 3.15Å; F284-F286 HydrophobicContact CB-CD2 4.42Å; F284-F286 HydrophobicContact CB-CE2 3.78Å; F284-F286 HydrophobicContact CB-CZ 4.1Å; F284-F286 HydrophobicContact CD1-CZ 4.5Å; F284-F286 HydrophobicContact CG-CE2 4.4Å; F284-F286 HydrophobicContact CG-CZ 4.43Å
287	H	95.9	Very high	95.9	Very high	134 Å²	134	51.3 Å²	51.3	62%	0.62	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.1	178.3	178.6	-80.9	0	0	0	111.2	N272 L273	N272-H287 CarbonylContact O-C 3.53Å; N272-H287 VanDerWaalsContact O-CA 3.31Å; N272-H287 WeakPolarHBondContact O-CA 3.39Å; L273-H287 PolarHBondContact O-CD2 3.1Å; L273-H287 PolarHBondContact O-NE2 3.34Å
288	G	95.2	Very high	96.3	Very high	7 Å²	7	46.4 Å²	46.4	7%	0.072	23%	0.23	C	C	.	.	S	Bend	trans	143.9	179.4	171.6	0	0	0	0	0	114.1	N272 C290	N272-G288 CarbonylContact C-O 3.57Å; N272-G288 PolarHBondContact O-N 3.2Å; G288-C290 PolarHBondContact O-N 2.93Å
289	P	96.2	Very high	96.6	Very high	47 Å²	47	48 Å²	48	31%	0.305	24%	0.244	S	C	.	.			trans	-58.6	131.7	174.1	-21	32.5	0	0	0	110.5	E61 L273 G291 N292 T293	E61-P289 HydrophobicContact CG-CB 4.45Å; E61-P289 WeakPolarHBondContact OE1-CB 3.27Å; L273-P289 HydrophobicContact CD2-CG 4.1Å; P289-G291 PolarHBondContact O-N 3.31Å; P289-N292 HydrophobicContact CB-CB 4.43Å; P289-N292 PolarHBondContact O-N 3.36Å; P289-T293 PolarHBondContact O-N 3.27Å; P289-T293 PolarHBondContact O-OG1 3.45Å
290	C	96.6	Very high	96.8	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-34.1	-177.4	-66.8	0	0	0	0	111.2	E61 A114 V245 G288 N292 T293 L294	E61-C290 PolarHBondContact OE1-N 3.29Å; A114-C290 HydrophobicContact CB-CB 3.94Å; V245-C290 HydrophobicContact CG1-CB 3.97Å; V245-C290 VanDerWaalsContact CG1-SG 3.55Å; G288-C290 PolarHBondContact O-N 2.93Å; C290-N292 PolarHBondContact O-N 2.86Å; C290-T293 WeakPolarHBondContact CA-OG1 3.41Å; C290-T293 PolarHBondContact O-N 3.06Å; C290-L294 HydrophobicContact CB-CD1 4.4Å; C290-L294 VanDerWaalsContact O-CB 3.29Å; C290-L294 WeakPolarHBondContact O-CB 3.37Å; C290-L294 PolarHBondContact O-N 3.49Å
291	G	97.6	Very high	97	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-17.9	175.1	0	0	0	0	0	113.9	E61 P289 P295	E61-G291 PolarHBondContact OE1-N 3.47Å; E61-G291 VanDerWaalsContact OE2-CA 3.26Å; E61-G291 WeakPolarHBondContact OE2-CA 3.39Å; E61-G291 PolarHBondContact OE2-N 3.46Å; P289-G291 PolarHBondContact O-N 3.31Å; G291-P295 VanDerWaalsContact O-CD 3.29Å; G291-P295 WeakPolarHBondContact O-CD 3.37Å; G291-P295 WeakPolarHBondContact O-CG 3.48Å
292	N	97.9	Very high	97	Very high	112 Å²	112	48.4 Å²	48.4	60%	0.599	25%	0.248	S	C	*	.	H	α-helix	trans	-98.5	-35.7	174.5	-66.7	-17.2	0	0	0	112.3	P289 C290 P296	P289-N292 HydrophobicContact CB-CB 4.43Å; P289-N292 PolarHBondContact O-N 3.36Å; C290-N292 PolarHBondContact O-N 2.86Å; N292-P296 WeakPolarHBondContact O-CD 3.25Å; N292-P296 WeakPolarHBondContact O-CG 3.36Å
293	T	97.9	Very high	96.8	Very high	26 Å²	26	51 Å²	51	16%	0.16	27%	0.268	C	S	.	.	H	α-helix	trans	-87	-33.4	-173.7	56.4	0	0	0	0	113.3	F271 P289 C290 P296 A297	F271-T293 WeakPolarHBondContact CD1-OG1 3.4Å; P289-T293 PolarHBondContact O-N 3.27Å; P289-T293 PolarHBondContact O-OG1 3.45Å; C290-T293 WeakPolarHBondContact CA-OG1 3.41Å; C290-T293 PolarHBondContact O-N 3.06Å; T293-P296 WeakPolarHBondContact O-CD 3.19Å; T293-P296 WeakPolarHBondContact O-CG 3.09Å; T293-A297 VanDerWaalsContact O-CB 3.31Å; T293-A297 WeakPolarHBondContact O-CB 3.37Å; T293-A297 PolarHBondContact O-N 3.44Å
294	L	98.2	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-74.4	-42.9	-177.8	-78.7	177.2	0	0	0	114.3	A114 I118 L243 V245 F271 C290 A297 L298	A114-L294 HydrophobicContact CB-CD1 3.89Å; I118-L294 HydrophobicContact CD1-CD1 3.9Å; I118-L294 HydrophobicContact CG1-CD1 4.2Å; L243-L294 HydrophobicContact CD2-CD2 4.05Å; V245-L294 HydrophobicContact CB-CD1 4.49Å; V245-L294 HydrophobicContact CG1-CD1 3.57Å; V245-L294 HydrophobicContact CG1-CG 4.45Å; V245-L294 HydrophobicContact CG2-CD1 4.1Å; V245-L294 HydrophobicContact CG2-CD2 4.25Å; F271-L294 HydrophobicContact CD1-CD2 3.9Å; F271-L294 HydrophobicContact CD1-CG 4.28Å; F271-L294 HydrophobicContact CD2-CD2 3.88Å; F271-L294 HydrophobicContact CE1-CD2 3.93Å; F271-L294 HydrophobicContact CE2-CD2 3.94Å; F271-L294 HydrophobicContact CG-CD2 3.85Å; F271-L294 HydrophobicContact CG-CG 4.36Å; F271-L294 HydrophobicContact CZ-CD2 3.95Å; C290-L294 HydrophobicContact CB-CD1 4.4Å; C290-L294 VanDerWaalsContact O-CB 3.29Å; C290-L294 WeakPolarHBondContact O-CB 3.37Å; C290-L294 PolarHBondContact O-N 3.49Å; L294-A297 PolarHBondContact O-N 2.63Å; L294-A297 VanDerWaalsContact O-N 3.13Å; L294-L298 HydrophobicContact CB-CD1 4.48Å; L294-L298 HydrophobicContact CD2-CD1 4.11Å; L294-L298 HydrophobicContact CD2-CG 4.31Å; L294-L298 WeakPolarHBondContact O-CB 3.31Å; L294-L298 PolarHBondContact O-N 3.43Å
295	P	98.6	Very high	95.6	Very high	46 Å²	46	48.3 Å²	48.3	30%	0.299	27%	0.27	S	S	.	.	H	α-helix	trans	-53.9	-48.7	179.1	-26.6	34.8	0	0	0	114.3	P113 A117 G291 L298 A299	P113-P295 HydrophobicContact CB-CG 4.22Å; A117-P295 HydrophobicContact CB-CB 4.39Å; A117-P295 HydrophobicContact CB-CG 4.13Å; G291-P295 VanDerWaalsContact O-CD 3.29Å; G291-P295 WeakPolarHBondContact O-CD 3.37Å; G291-P295 WeakPolarHBondContact O-CG 3.48Å; P295-L298 PolarHBondContact O-N 3.23Å; P295-A299 WeakPolarHBondContact O-CB 3.19Å; P295-A299 PolarHBondContact O-N 2.85Å
296	P	97.7	Very high	94.1	Very high	61 Å²	61	56.3 Å²	56.3	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-69.5	-33.5	175.9	26.7	-33.8	0	0	0	113.1	N292 T293	N292-P296 WeakPolarHBondContact O-CD 3.25Å; N292-P296 WeakPolarHBondContact O-CG 3.36Å; T293-P296 WeakPolarHBondContact O-CD 3.19Å; T293-P296 WeakPolarHBondContact O-CG 3.09Å
297	A	98.2	Very high	94	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-39	177.2	0	0	0	0	0	112.3	L37 F40 R41 F271 T293 L294	L37-A297 HydrophobicContact CD1-CB 4.13Å; F40-A297 HydrophobicContact CD1-CB 4.26Å; F40-A297 HydrophobicContact CE1-CB 3.72Å; F40-A297 WeakPolarHBondContact CE1-O 3.39Å; F40-A297 HydrophobicContact CZ-CB 4.48Å; R41-A297 VanDerWaalsContact CD-O 3.24Å; R41-A297 WeakPolarHBondContact CD-O 3.44Å; R41-A297 PolarHBondContact NH1-O 3.28Å; F271-A297 HydrophobicContact CE1-CB 3.69Å; F271-A297 HydrophobicContact CZ-CB 3.7Å; T293-A297 VanDerWaalsContact O-CB 3.31Å; T293-A297 WeakPolarHBondContact O-CB 3.37Å; T293-A297 PolarHBondContact O-N 3.44Å; L294-A297 PolarHBondContact O-N 2.63Å; L294-A297 VanDerWaalsContact O-N 3.13Å
298	L	98.6	Very high	93.9	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.037	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.5	-176.8	-61.2	-176.6	0	0	0	113.7	F44 A117 I118 C121 R124 L243 L294 P295	F44-L298 HydrophobicContact CD2-CD2 4.15Å; F44-L298 HydrophobicContact CE2-CD2 3.67Å; F44-L298 HydrophobicContact CZ-CD2 4.28Å; A117-L298 HydrophobicContact CB-CD1 4.45Å; I118-L298 HydrophobicContact CG1-CD1 3.94Å; C121-L298 HydrophobicContact CB-CB 4.21Å; C121-L298 HydrophobicContact CB-CD1 4.28Å; R124-L298 PolarHBondContact NH2-O 3.42Å; L243-L298 HydrophobicContact CD2-CD2 3.81Å; L294-L298 HydrophobicContact CB-CD1 4.48Å; L294-L298 HydrophobicContact CD2-CD1 4.11Å; L294-L298 HydrophobicContact CD2-CG 4.31Å; L294-L298 WeakPolarHBondContact O-CB 3.31Å; L294-L298 PolarHBondContact O-N 3.43Å; P295-L298 PolarHBondContact O-N 3.23Å
299	A	97.8	Very high	93.8	Very high	41 Å²	41	56.8 Å²	56.8	34%	0.339	32%	0.323	S	S	.	.	S	Bend	trans	-59.7	159.4	176	0	0	0	0	0	111.4	R41 P295 H301	R41-A299 PolarHBondContact NH1-O 3.24Å; R41-A299 PolarHBondContact NH2-O 2.69Å; P295-A299 WeakPolarHBondContact O-CB 3.19Å; P295-A299 PolarHBondContact O-N 2.85Å; A299-H301 PolarHBondContact O-N 3.21Å
300	R	97.1	Very high	93.7	Very high	112 Å²	112	57.4 Å²	57.4	42%	0.423	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-57.7	126.8	173.8	-176.3	179.1	-75.1	-135.9	-8.7	109.9	R41 E304 N306	R41-R300 VanDerWaalsContact NH2-C 3.32Å; R41-R300 PolarHBondContact NH2-O 3.46Å; R300-E304 WeakPolarHBondContact CA-OE1 3.47Å; R300-E304 HydrophobicContact CG-CB 4.04Å; R300-N306 VanDerWaalsContact NH1-CA 3.32Å; R300-N306 PolarHBondContact NH1-OD1 3.22Å; R300-N306 PolarHBondContact NH1-OXT 2.94Å; R300-N306 PolarHBondContact NH2-OXT 3.24Å; R300-N306 VanDerWaalsContact NH2-OXT 3.16Å
301	H	95.9	Very high	93.5	Very high	20 Å²	20	60.8 Å²	60.8	9%	0.093	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-80.9	148.6	172	-163	-94.3	0	0	0	110.6	R41 E42 S45 A299 S303 E304	R41-H301 VanDerWaalsContact NH2-N 3.16Å; E42-H301 IonicContact OE1-NE2 3.89Å; S45-H301 VanDerWaalsContact CB-CG 3.4Å; S45-H301 VanDerWaalsContact CB-ND1 3.35Å; S45-H301 WeakPolarHBondContact CB-ND1 3.48Å; A299-H301 PolarHBondContact O-N 3.21Å; H301-S303 WeakPolarHBondContact ND1-CB 3.41Å; H301-S303 PolarHBondContact ND1-N 3.23Å; H301-S303 PolarHBondContact ND1-OG 3.15Å; H301-S303 PolarHBondContact O-N 3.1Å; H301-S303 VanDerWaalsContact O-N 3.15Å; H301-E304 HydrophobicContact CB-CG 4.07Å; H301-E304 PolarHBondContact N-OE1 3.26Å; H301-E304 VanDerWaalsContact O-CB 3.32Å; H301-E304 WeakPolarHBondContact O-CB 3.29Å; H301-E304 PolarHBondContact O-N 3.37Å
302	E	93.3	Very high	93.2	Very high	185 Å²	185	64.5 Å²	64.5	86%	0.864	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.5	179.6	59.8	179.8	-164.7	0	0	113.6
303	S	91.8	Very high	92.9	Very high	76 Å²	76	61.1 Å²	61.1	53%	0.531	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.1	175.4	70.4	0	0	0	0	113.8	H301	H301-S303 WeakPolarHBondContact ND1-CB 3.41Å; H301-S303 PolarHBondContact ND1-N 3.23Å; H301-S303 PolarHBondContact ND1-OG 3.15Å; H301-S303 PolarHBondContact O-N 3.1Å; H301-S303 VanDerWaalsContact O-N 3.15Å
304	E	88.6	Confident	92.5	Very high	14 Å²	14	63.8 Å²	63.8	7%	0.065	36%	0.36	C	S	.	.	S	Bend	trans	-75.1	138.3	177.1	-72.8	-179.7	-127.6	0	0	110.5	R124 L125 Q128 R300 H301	R124-E304 WeakPolarHBondContact CD-OE2 3.26Å; R124-E304 IonicContact CZ-OE2 3.52Å; R124-E304 IonicContact NE-OE1 2.74Å; R124-E304 IonicContact NE-OE2 3.32Å; R124-E304 PolarHBondContact NE-OE2 3.05Å; R124-E304 IonicContact NH2-OE1 3.96Å; R124-E304 IonicContact NH2-OE2 2.7Å; L125-E304 WeakPolarHBondContact CD2-OE2 3.32Å; Q128-E304 PolarHBondContact NE2-OE2 2.94Å; R300-E304 WeakPolarHBondContact CA-OE1 3.47Å; R300-E304 HydrophobicContact CG-CB 4.04Å; H301-E304 HydrophobicContact CB-CG 4.07Å; H301-E304 PolarHBondContact N-OE1 3.26Å; H301-E304 VanDerWaalsContact O-CB 3.32Å; H301-E304 WeakPolarHBondContact O-CB 3.29Å; H301-E304 PolarHBondContact O-N 3.37Å
305	A	80.6	Confident	92	Very high	70 Å²	70	69.2 Å²	69.2	58%	0.579	39%	0.39	S	S	*	.			trans	-65.3	150.2	173.9	0	0	0	0	0	111.3
306	N	66.4	Low	91.4	Very high	198 Å²	198	71.3 Å²	71.3	100%	1.059	40%	0.399	S	S	*	.			trans	-67.3	0	-173.1	-95.4	-17.8	0	0	0	114.4	R300	R300-N306 VanDerWaalsContact NH1-CA 3.32Å; R300-N306 PolarHBondContact NH1-OD1 3.22Å; R300-N306 PolarHBondContact NH1-OXT 2.94Å; R300-N306 PolarHBondContact NH2-OXT 3.24Å; R300-N306 VanDerWaalsContact NH2-OXT 3.16Å

Retrieved 306 of 306 residues in 54.7 ms (Link to these results)

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