A0A087XZY3_POEFO Loading...

Group XIIA secretory phospholipase A2

PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Does not exhibit detectable activity toward sn-2-arachidonoyl- or linoleoyl-phosphatidylcholine or -phosphatidylethanolamine.

AlphaFold DB , UniProt , Accession A0A087XZY3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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	E	36.3	Very low	36.6	Very low	242 Å²	242	170.8 Å²	170.8	100%	1.131	83%	0.829	S	S	*	*				0	108.2	0	-72.8	162.3	127.1	0	0	108.9
2	Y	29.4	Very low	36.7	Very low	234 Å²	234	164.3 Å²	164.3	92%	0.918	81%	0.813	S	S	*	*			trans	-119.9	119.5	163.9	-96.6	-94.8	0	0	0	106.4	N4	Y2-N4 PolarHBondContact O-N 3.26Å
3	M	34.6	Very low	37.5	Very low	156 Å²	156	157.6 Å²	157.6	77%	0.768	81%	0.812	S	S	*	*			trans	-71.8	112	-174.7	-79	-174	62.5	0	0	111.3	R5	M3-R5 HydrophobicContact CE-CG 4.42Å; M3-R5 PolarHBondContact O-N 3.41Å
4	N	35.2	Very low	37.6	Very low	151 Å²	151	156.4 Å²	156.4	81%	0.807	81%	0.806	S	S	*	*			trans	-78.2	104.6	162.4	-80.8	-11.3	0	0	0	109.4	Y2	Y2-N4 PolarHBondContact O-N 3.26Å
5	R	40.7	Very low	38.3	Very low	215 Å²	215	160.5 Å²	160.5	81%	0.811	82%	0.815	S	S	*	*			trans	-82.7	109.5	164.6	-82.9	-175.1	177.2	-134.6	0.4	108.7	M3	M3-R5 HydrophobicContact CE-CG 4.42Å; M3-R5 PolarHBondContact O-N 3.41Å
6	C	37.3	Very low	38.3	Very low	121 Å²	121	158.8 Å²	158.8	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-88.7	119.6	166.8	-62.8	0	0	0	0	109.2
7	I	39.2	Very low	39	Very low	151 Å²	151	161.2 Å²	161.2	77%	0.774	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-101.8	120.6	169	-59.4	172.5	0	0	0	107.2
8	P	40.5	Very low	38.8	Very low	106 Å²	106	162.3 Å²	162.3	69%	0.688	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80.9	123.8	177.1	29.9	-29.7	0	0	0	110.7
9	M	34.3	Very low	38.7	Very low	159 Å²	159	163.4 Å²	163.4	78%	0.783	82%	0.824	S	S	*	*			trans	-86.4	111.2	169	-78.6	-78.1	-74.1	0	0	109.3	I11	M9-I11 PolarHBondContact O-N 3.22Å
10	F	36.8	Very low	38.7	Very low	201 Å²	201	162 Å²	162	88%	0.882	82%	0.818	S	S	*	*			trans	-75.7	111	170	-89.4	-90.8	0	0	0	109.6
11	I	38.3	Very low	38.5	Very low	143 Å²	143	164.3 Å²	164.3	73%	0.733	82%	0.823	S	S	*	*			trans	-118.5	112.4	166.8	-61.2	-177.3	0	0	0	109.7	M9	M9-I11 PolarHBondContact O-N 3.22Å
12	S	37.9	Very low	38.3	Very low	92 Å²	92	158 Å²	158	64%	0.643	81%	0.805	S	S	*	*				129.6	109.7	129.7	-160.5	0	0	0	0	113.6	I14	S12-I14 PolarHBondContact O-N 3.2Å
13	G	47.4	Very low	38.4	Very low	78 Å²	78	156.4 Å²	156.4	80%	0.804	80%	0.803	S	S	*	*			trans	-72.4	110.9	145.7	0	0	0	0	0	108.5
14	I	38.1	Very low	38.5	Very low	140 Å²	140	156.5 Å²	156.5	72%	0.718	81%	0.807	S	S	*	*			trans	-164.3	115.6	143.7	-91.2	146.4	0	0	0	105.3	S12 V16	S12-I14 PolarHBondContact O-N 3.2Å; I14-V16 HydrophobicContact CG2-CG2 3.97Å; I14-V16 PolarHBondContact O-N 3.37Å
15	K	47.9	Very low	38.5	Very low	218 Å²	218	156 Å²	156	95%	0.948	81%	0.809	S	S	*	*			trans	-69	108.6	-179.5	-73.6	177.1	173.4	177.3	0	109.6
16	V	39.1	Very low	38.4	Very low	133 Å²	133	150.7 Å²	150.7	81%	0.806	81%	0.805	S	S	*	*			trans	-125.3	139.6	166.5	177.9	0	0	0	0	110.6	I14	I14-V16 HydrophobicContact CG2-CG2 3.97Å; I14-V16 PolarHBondContact O-N 3.37Å
17	K	50.5	Low	38.3	Very low	200 Å²	200	149 Å²	149	87%	0.87	80%	0.799	S	S	*	*			trans	-103.8	106.8	-160.2	175.8	-178.9	-175.7	179.2	0	109.4
18	F	34.5	Very low	38.1	Very low	181 Å²	181	146.6 Å²	146.6	79%	0.794	80%	0.795	S	S	*	*			trans	-179.3	119.8	146.8	-145.8	-109.1	0	0	0	107.1	I20	F18-I20 HydrophobicContact CD1-CD1 4.21Å; F18-I20 HydrophobicContact CD1-CG1 4.16Å; F18-I20 PolarHBondContact O-N 3.31Å
19	L	36.9	Very low	37.9	Very low	184 Å²	184	149.4 Å²	149.4	96%	0.963	80%	0.804	S	S	*	*			trans	-81.7	102.1	-176.8	-76.7	164.8	0	0	0	110.1
20	I	38.4	Very low	38	Very low	135 Å²	135	151 Å²	151	69%	0.692	81%	0.807	S	S	*	*			trans	-123.4	129.9	161.9	-61.7	177.9	0	0	0	106.4	F18 S22	F18-I20 HydrophobicContact CD1-CD1 4.21Å; F18-I20 HydrophobicContact CD1-CG1 4.16Å; F18-I20 PolarHBondContact O-N 3.31Å; I20-S22 PolarHBondContact O-N 3.32Å
21	F	34.4	Very low	38.2	Very low	210 Å²	210	150.1 Å²	150.1	92%	0.921	81%	0.805	S	S	*	*			trans	-55.9	115.3	180	-89.4	-102	0	0	0	111.6
22	S	32.5	Very low	38.4	Very low	110 Å²	110	149 Å²	149	77%	0.769	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-67.9	130.6	176.4	-55.8	0	0	0	0	111.8	I20	I20-S22 PolarHBondContact O-N 3.32Å
23	K	33	Very low	39.1	Very low	201 Å²	201	153.5 Å²	153.5	87%	0.874	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-100.9	119.6	156.5	-73.5	-175.8	176.7	180	0	107.2	V25	K23-V25 PolarHBondContact O-N 3.42Å
24	D	35	Very low	39.4	Very low	158 Å²	158	155.9 Å²	155.9	85%	0.845	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-59.6	121.9	175.8	-65.3	-57.5	0	0	0	110.5	S26	D24-S26 PolarHBondContact O-N 3.3Å
25	V	35.6	Very low	40.4	Very low	139 Å²	139	154.4 Å²	154.4	84%	0.842	82%	0.817	S	S	*	*			trans	-81.3	101.7	169.6	169.7	0	0	0	0	107.4	K23 A27	K23-V25 PolarHBondContact O-N 3.42Å; V25-A27 PolarHBondContact O-N 3.34Å
26	S	38.8	Very low	41.1	Very low	105 Å²	105	148.1 Å²	148.1	73%	0.734	79%	0.794	S	S	*	*			trans	-83	100.2	166.1	-176.6	0	0	0	0	108.5	D24 C28	D24-S26 PolarHBondContact O-N 3.3Å; S26-C28 PolarHBondContact O-N 3.36Å
27	A	35.8	Very low	42.5	Very low	84 Å²	84	149 Å²	149	69%	0.694	78%	0.782	S	S	*	*			trans	-80	104	167.4	0	0	0	0	0	108.8	V25	V25-A27 PolarHBondContact O-N 3.34Å
28	C	34.2	Very low	42.7	Very low	102 Å²	102	145.3 Å²	145.3	69%	0.689	76%	0.763	S	S	*	*			trans	-96.5	108.1	159.7	-81.1	0	0	0	0	107.2	S26 K30	S26-C28 PolarHBondContact O-N 3.36Å; C28-K30 PolarHBondContact O-N 3.22Å
29	D	35.7	Very low	43.8	Very low	164 Å²	164	141.6 Å²	141.6	88%	0.877	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-65.2	116.8	166.3	-73.7	-34.9	0	0	0	108.3
30	K	37.7	Very low	45.2	Very low	193 Å²	193	136.6 Å²	136.6	84%	0.839	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-86.2	121	161.8	-75	-177.4	178	177.7	0	106.7	C28	C28-K30 PolarHBondContact O-N 3.22Å
31	E	41.3	Very low	46.2	Very low	182 Å²	182	133.3 Å²	133.3	85%	0.85	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-55.6	132.2	159.3	-83.8	-176.7	148.5	0	0	108.4	E33	E31-E33 PolarHBondContact O-N 3.13Å; E31-E33 VanDerWaalsContact O-N 3.13Å
32	P	42.1	Very low	47.3	Very low	119 Å²	119	130.3 Å²	130.3	77%	0.773	69%	0.693	S	S	*	*			trans	-69.9	111.8	178.2	26.6	-30.7	0	0	0	108.9	T34	P32-T34 PolarHBondContact O-N 3.12Å; P32-T34 VanDerWaalsContact O-N 3.12Å
33	E	53.2	Low	48.5	Very low	188 Å²	188	130 Å²	130	88%	0.879	69%	0.686	S	S	*	*			trans	-60.7	115.9	167.3	-71.1	-156.7	179.5	0	0	108.9	E31 P35	E31-E33 PolarHBondContact O-N 3.13Å; E31-E33 VanDerWaalsContact O-N 3.13Å; E33-P35 WeakPolarHBondContact O-CD 3.42Å
34	T	51.8	Low	49.8	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	67%	0.667	S	S	*	*			trans	-66.1	121.8	173.7	52.5	0	0	0	0	108.6	P32 D36	P32-T34 PolarHBondContact O-N 3.12Å; P32-T34 VanDerWaalsContact O-N 3.12Å; T34-D36 PolarHBondContact O-N 3.05Å
35	P	59.2	Low	50.8	Low	110 Å²	110	124.1 Å²	124.1	71%	0.714	65%	0.653	S	S	*	*			trans	-63.4	129.8	178.8	22	-28.8	0	0	0	109.9	E33 W37	E33-P35 WeakPolarHBondContact O-CD 3.42Å; P35-W37 VanDerWaalsContact C-N 3.31Å; P35-W37 PolarHBondContact O-N 2.97Å
36	D	63.2	Low	51.8	Low	86 Å²	86	124.2 Å²	124.2	46%	0.46	65%	0.648	S	S	.	*			trans	-65	91.3	176.4	-177.3	11.1	0	0	0	109.6	T34 R38 M39 T40	T34-D36 PolarHBondContact O-N 3.05Å; D36-R38 PolarHBondContact O-N 3.46Å; D36-R38 WeakPolarHBondContact OD1-CB 3.49Å; D36-R38 WeakPolarHBondContact OD1-CG 3.44Å; D36-R38 PolarHBondContact OD1-N 3.32Å; D36-R38 VanDerWaalsContact OD1-N 3.17Å; D36-M39 PolarHBondContact O-N 3.05Å; D36-M39 WeakPolarHBondContact OD2-CG 3.42Å; D36-T40 PolarHBondContact O-N 3.19Å
37	W	68.6	Low	52.9	Low	150 Å²	150	122.1 Å²	122.1	57%	0.568	64%	0.643	S	S	*	*	H	α-helix	trans	-53.8	-24	179.3	65.1	-87.8	0	0	0	112.2	P35 T40 L41	P35-W37 VanDerWaalsContact C-N 3.31Å; P35-W37 PolarHBondContact O-N 2.97Å; W37-T40 PolarHBondContact O-N 3.15Å; W37-L41 HydrophobicContact CE3-CD1 3.29Å; W37-L41 HydrophobicContact CE3-CG 4.11Å; W37-L41 HydrophobicContact CZ3-CD1 3.3Å; W37-L41 WeakPolarHBondContact O-CB 3.34Å; W37-L41 WeakPolarHBondContact O-CG 3.49Å; W37-L41 PolarHBondContact O-N 2.98Å
38	R	55.7	Low	54.1	Low	123 Å²	123	121.5 Å²	121.5	46%	0.464	63%	0.628	S	S	.	*	H	α-helix	trans	-67.3	-36.8	177.7	-55.8	178.9	171.3	-143.4	-2.5	111.8	D36 R42	D36-R38 PolarHBondContact O-N 3.46Å; D36-R38 WeakPolarHBondContact OD1-CB 3.49Å; D36-R38 WeakPolarHBondContact OD1-CG 3.44Å; D36-R38 PolarHBondContact OD1-N 3.32Å; D36-R38 VanDerWaalsContact OD1-N 3.17Å; R38-R42 VanDerWaalsContact O-CG 3.24Å; R38-R42 WeakPolarHBondContact O-CG 3.28Å; R38-R42 PolarHBondContact O-N 3.49Å
39	M	56.5	Low	55	Low	103 Å²	103	125.3 Å²	125.3	51%	0.507	64%	0.635	S	S	.	*	H	α-helix	trans	-71.7	-39.3	176.2	-78.6	-69	-70	0	0	112	D36 R42 T43	D36-M39 PolarHBondContact O-N 3.05Å; D36-M39 WeakPolarHBondContact OD2-CG 3.42Å; M39-R42 PolarHBondContact O-N 3.31Å; M39-T43 PolarHBondContact O-N 2.82Å; M39-T43 VanDerWaalsContact O-N 3.16Å; M39-T43 PolarHBondContact O-OG1 3.3Å
40	T	66.3	Low	55.8	Low	80 Å²	80	126.5 Å²	126.5	49%	0.491	63%	0.632	S	S	.	*	H	α-helix	trans	-63.5	-44	174.9	-54.4	0	0	0	0	111.2	D36 W37 T43 I44	D36-T40 PolarHBondContact O-N 3.19Å; W37-T40 PolarHBondContact O-N 3.15Å; T40-T43 PolarHBondContact O-N 3.14Å; T40-I44 HydrophobicContact CG2-CD1 4.21Å; T40-I44 WeakPolarHBondContact O-CG1 3.2Å; T40-I44 PolarHBondContact O-N 3.01Å
41	L	59.1	Low	56.6	Low	65 Å²	65	121.2 Å²	121.2	34%	0.34	61%	0.612	S	S	.	*	H	α-helix	trans	-64.6	-40.4	175.6	-74.8	-176.4	0	0	0	113.2	W37 T43 I44 R45	W37-L41 HydrophobicContact CE3-CD1 3.29Å; W37-L41 HydrophobicContact CE3-CG 4.11Å; W37-L41 HydrophobicContact CZ3-CD1 3.3Å; W37-L41 WeakPolarHBondContact O-CB 3.34Å; W37-L41 WeakPolarHBondContact O-CG 3.49Å; W37-L41 PolarHBondContact O-N 2.98Å; L41-T43 PolarHBondContact O-N 3.44Å; L41-I44 PolarHBondContact O-N 3.08Å; L41-R45 PolarHBondContact O-N 2.92Å
42	R	57.5	Low	57.4	Low	147 Å²	147	114.5 Å²	114.5	56%	0.555	58%	0.582	S	S	*	*	H	α-helix	trans	-60.5	-34	175.6	-77.3	171.4	-178.5	179.5	1	112.8	R38 M39 R45	R38-R42 VanDerWaalsContact O-CG 3.24Å; R38-R42 WeakPolarHBondContact O-CG 3.28Å; R38-R42 PolarHBondContact O-N 3.49Å; M39-R42 PolarHBondContact O-N 3.31Å; R42-R45 WeakPolarHBondContact O-CB 3.5Å
43	T	59.3	Low	58.1	Low	104 Å²	104	114 Å²	114	64%	0.638	58%	0.577	S	S	*	*	H	α-helix	trans	-72.4	-36.6	179	-54.2	0	0	0	0	111.5	M39 T40 L41	M39-T43 PolarHBondContact O-N 2.82Å; M39-T43 VanDerWaalsContact O-N 3.16Å; M39-T43 PolarHBondContact O-OG1 3.3Å; T40-T43 PolarHBondContact O-N 3.14Å; L41-T43 PolarHBondContact O-N 3.44Å
44	I	59.8	Low	58.5	Low	91 Å²	91	114.3 Å²	114.3	47%	0.467	57%	0.572	S	S	.	*	H	α-helix	trans	-70.9	-32.8	177.4	-65.3	165.5	0	0	0	111.4	T40 L41 N46 G47	T40-I44 HydrophobicContact CG2-CD1 4.21Å; T40-I44 WeakPolarHBondContact O-CG1 3.2Å; T40-I44 PolarHBondContact O-N 3.01Å; L41-I44 PolarHBondContact O-N 3.08Å; I44-N46 PolarHBondContact O-N 3.2Å; I44-G47 PolarHBondContact O-N 3.44Å; I44-G47 VanDerWaalsContact O-N 3.12Å
45	R	54.7	Low	59	Low	145 Å²	145	111.2 Å²	111.2	55%	0.547	55%	0.55	S	S	.	*	H	α-helix	trans	-55.1	-31.7	179.3	-171.2	179	67.3	161.2	3.8	114.4	L41 R42 G47	L41-R45 PolarHBondContact O-N 2.92Å; R42-R45 WeakPolarHBondContact O-CB 3.5Å; R45-G47 PolarHBondContact O-N 2.85Å
46	N	56.8	Low	59	Low	140 Å²	140	109.5 Å²	109.5	75%	0.749	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-4.4	-178	-67.1	-16.6	0	0	0	113.7	I44	I44-N46 PolarHBondContact O-N 3.2Å
47	G	61.8	Low	58.9	Low	61 Å²	61	108.1 Å²	108.1	63%	0.629	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-13.8	-170.2	0	0	0	0	0	117.6	I44 R45	I44-G47 PolarHBondContact O-N 3.44Å; I44-G47 VanDerWaalsContact O-N 3.12Å; R45-G47 PolarHBondContact O-N 2.85Å
48	I	61.6	Low	58.6	Low	71 Å²	71	102.8 Å²	102.8	36%	0.364	52%	0.523	S	S	.	.			trans	-143.5	86	-162.9	-41.3	175.5	0	0	0	115.2	K50 I51	I48-K50 PolarHBondContact O-N 2.88Å; I48-I51 HydrophobicContact CB-CB 4.17Å; I48-I51 HydrophobicContact CB-CD1 4.32Å; I48-I51 HydrophobicContact CB-CG1 4.39Å; I48-I51 HydrophobicContact CD1-CD1 3.75Å; I48-I51 HydrophobicContact CG2-CB 3.7Å; I48-I51 HydrophobicContact CG2-CD1 3.57Å; I48-I51 HydrophobicContact CG2-CG1 3.47Å; I48-I51 VanDerWaalsContact CG2-CG1 3.47Å; I48-I51 PolarHBondContact O-N 2.87Å
49	H	53.3	Low	58.8	Low	182 Å²	182	100.1 Å²	100.1	84%	0.843	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-4.5	-178.1	-95.3	-75	0	0	0	117.7
50	K	51.8	Low	58.9	Low	190 Å²	190	99.4 Å²	99.4	83%	0.826	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-16.1	177.5	-97.7	-175	177.6	-179.3	0	114.5	I48 D52	I48-K50 PolarHBondContact O-N 2.88Å; K50-D52 VanDerWaalsContact C-N 3.34Å
51	I	56	Low	58.6	Low	81 Å²	81	98 Å²	98	42%	0.415	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-23.7	174.5	-70	-177.2	0	0	0	109.8	I48 T53 Y54 L55	I48-I51 HydrophobicContact CB-CB 4.17Å; I48-I51 HydrophobicContact CB-CD1 4.32Å; I48-I51 HydrophobicContact CB-CG1 4.39Å; I48-I51 HydrophobicContact CD1-CD1 3.75Å; I48-I51 HydrophobicContact CG2-CB 3.7Å; I48-I51 HydrophobicContact CG2-CD1 3.57Å; I48-I51 HydrophobicContact CG2-CG1 3.47Å; I48-I51 VanDerWaalsContact CG2-CG1 3.47Å; I48-I51 PolarHBondContact O-N 2.87Å; I51-T53 VanDerWaalsContact C-N 3.32Å; I51-T53 PolarHBondContact O-N 2.89Å; I51-T53 VanDerWaalsContact O-N 3.15Å; I51-Y54 PolarHBondContact O-N 3.42Å; I51-L55 HydrophobicContact CG2-CB 3.98Å; I51-L55 HydrophobicContact CG2-CD1 3.6Å; I51-L55 HydrophobicContact CG2-CG 4.34Å; I51-L55 VanDerWaalsContact O-CB 3.29Å; I51-L55 WeakPolarHBondContact O-CB 3.37Å; I51-L55 PolarHBondContact O-N 3.12Å
52	D	56.7	Low	58.7	Low	42 Å²	42	100.7 Å²	100.7	23%	0.225	51%	0.514	C	S	.	.	H	α-helix	trans	-47.3	-44.5	179.7	-75.4	-14.1	0	0	0	113.9	K50 Y54 L55 N56	K50-D52 VanDerWaalsContact C-N 3.34Å; D52-Y54 PolarHBondContact O-N 3.42Å; D52-L55 PolarHBondContact O-N 3.4Å; D52-N56 WeakPolarHBondContact O-CA 3.2Å; D52-N56 WeakPolarHBondContact O-CB 3.45Å; D52-N56 PolarHBondContact O-N 3.04Å; D52-N56 PolarHBondContact O-ND2 3.17Å
53	T	58.1	Low	58.7	Low	108 Å²	108	94.4 Å²	94.4	66%	0.663	50%	0.496	S	S	*	.	H	α-helix	trans	-66	-43.5	-177.1	-48.2	0	0	0	0	113.1	I51 A57	I51-T53 VanDerWaalsContact C-N 3.32Å; I51-T53 PolarHBondContact O-N 2.89Å; I51-T53 VanDerWaalsContact O-N 3.15Å; T53-A57 VanDerWaalsContact O-CB 3.23Å; T53-A57 WeakPolarHBondContact O-CB 3.47Å; T53-A57 PolarHBondContact O-N 3.06Å
54	Y	60.1	Low	58.5	Low	195 Å²	195	90 Å²	90	77%	0.765	47%	0.471	S	S	*	.	H	α-helix	trans	-75.6	-35.4	178.4	-70.5	-79.1	0	0	0	111.6	I51 D52 A58	I51-Y54 PolarHBondContact O-N 3.42Å; D52-Y54 PolarHBondContact O-N 3.42Å; Y54-A58 VanDerWaalsContact O-CB 3.28Å; Y54-A58 WeakPolarHBondContact O-CB 3.42Å; Y54-A58 PolarHBondContact O-N 2.83Å
55	L	63.1	Low	58.1	Low	62 Å²	62	93.4 Å²	93.4	33%	0.325	49%	0.49	S	S	.	.	H	α-helix	trans	-69.6	-41.1	176.8	-145.9	97.1	0	0	0	110.8	I51 D52 A58 L59	I51-L55 HydrophobicContact CG2-CB 3.98Å; I51-L55 HydrophobicContact CG2-CD1 3.6Å; I51-L55 HydrophobicContact CG2-CG 4.34Å; I51-L55 VanDerWaalsContact O-CB 3.29Å; I51-L55 WeakPolarHBondContact O-CB 3.37Å; I51-L55 PolarHBondContact O-N 3.12Å; D52-L55 PolarHBondContact O-N 3.4Å; L55-A58 CarbonylContact O-C 3.22Å; L55-A58 PolarHBondContact O-N 3.03Å; L55-L59 HydrophobicContact CD2-CD1 3.95Å; L55-L59 HydrophobicContact CG-CD1 4.33Å; L55-L59 VanDerWaalsContact O-CB 3.24Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 WeakPolarHBondContact O-CD1 3.48Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 3.17Å
56	N	59.1	Low	58.2	Low	74 Å²	74	89.5 Å²	89.5	40%	0.396	48%	0.48	S	S	.	.	H	α-helix	trans	-68.2	-40.6	175.1	-66.4	-24.4	0	0	0	110.5	D52 A58 L59 D60	D52-N56 WeakPolarHBondContact O-CA 3.2Å; D52-N56 WeakPolarHBondContact O-CB 3.45Å; D52-N56 PolarHBondContact O-N 3.04Å; D52-N56 PolarHBondContact O-ND2 3.17Å; N56-A58 VanDerWaalsContact C-N 3.31Å; N56-A58 PolarHBondContact O-N 3.01Å; N56-L59 PolarHBondContact O-N 3.34Å; N56-D60 VanDerWaalsContact O-CB 3.23Å; N56-D60 WeakPolarHBondContact O-CB 3.43Å; N56-D60 VanDerWaalsContact O-CG 3.27Å; N56-D60 PolarHBondContact O-N 2.93Å
57	A	60.9	Low	58.5	Low	57 Å²	57	84.5 Å²	84.5	47%	0.471	46%	0.462	S	S	.	.	H	α-helix	trans	-62.2	-38.4	172	0	0	0	0	0	112.1	T53 L61	T53-A57 VanDerWaalsContact O-CB 3.23Å; T53-A57 WeakPolarHBondContact O-CB 3.47Å; T53-A57 PolarHBondContact O-N 3.06Å; A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 3.29Å
58	A	63.2	Low	59	Low	38 Å²	38	86.8 Å²	86.8	31%	0.314	46%	0.459	S	S	.	.	H	α-helix	trans	-71.3	-40	173.9	0	0	0	0	0	112.2	Y54 L55 N56 L61 F62	Y54-A58 VanDerWaalsContact O-CB 3.28Å; Y54-A58 WeakPolarHBondContact O-CB 3.42Å; Y54-A58 PolarHBondContact O-N 2.83Å; L55-A58 CarbonylContact O-C 3.22Å; L55-A58 PolarHBondContact O-N 3.03Å; N56-A58 VanDerWaalsContact C-N 3.31Å; N56-A58 PolarHBondContact O-N 3.01Å; A58-L61 CarbonylContact O-C 3.55Å; A58-L61 WeakPolarHBondContact O-CB 3.38Å; A58-L61 PolarHBondContact O-N 3.16Å; A58-F62 HydrophobicContact CB-CD2 4.41Å; A58-F62 WeakPolarHBondContact O-CB 3.25Å; A58-F62 WeakPolarHBondContact O-CD2 3.24Å; A58-F62 PolarHBondContact O-N 3.32Å
59	L	59.8	Low	60	Low	67 Å²	67	83.8 Å²	83.8	35%	0.351	45%	0.445	S	S	.	.	H	α-helix	trans	-66.9	-41.1	177	-75.9	164.3	0	0	0	110.9	L55 N56 L61 F62 G63 G64	L55-L59 HydrophobicContact CD2-CD1 3.95Å; L55-L59 HydrophobicContact CG-CD1 4.33Å; L55-L59 VanDerWaalsContact O-CB 3.24Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 WeakPolarHBondContact O-CD1 3.48Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 3.17Å; N56-L59 PolarHBondContact O-N 3.34Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 PolarHBondContact O-N 2.99Å; L59-F62 PolarHBondContact O-N 3.39Å; L59-G63 CarbonylContact O-C 3.55Å; L59-G63 WeakPolarHBondContact O-CA 3.43Å; L59-G63 PolarHBondContact O-N 3.06Å; L59-G64 PolarHBondContact O-N 3.24Å
60	D	58.9	Low	61.6	Low	87 Å²	87	80.6 Å²	80.6	47%	0.465	43%	0.425	S	S	.	.	H	α-helix	trans	-63.9	-35.8	171.3	-76.7	-20.8	0	0	0	111.7	N56	N56-D60 VanDerWaalsContact O-CB 3.23Å; N56-D60 WeakPolarHBondContact O-CB 3.43Å; N56-D60 VanDerWaalsContact O-CG 3.27Å; N56-D60 PolarHBondContact O-N 2.93Å
61	L	59.7	Low	63.4	Low	50 Å²	50	73.1 Å²	73.1	26%	0.262	39%	0.392	S	S	.	.	H	α-helix	trans	-69.5	-38.8	176.1	-175	64.5	0	0	0	112.4	A57 A58 L59 F98 L172	A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 3.29Å; A58-L61 CarbonylContact O-C 3.55Å; A58-L61 WeakPolarHBondContact O-CB 3.38Å; A58-L61 PolarHBondContact O-N 3.16Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 PolarHBondContact O-N 2.99Å; L61-F98 HydrophobicContact CD1-CE1 3.93Å; L61-F98 HydrophobicContact CD1-CZ 3.88Å; L61-L172 HydrophobicContact CD1-CD2 4.36Å; L61-L172 HydrophobicContact CG-CD2 4.13Å
62	F	59.7	Low	64.9	Low	122 Å²	122	76.4 Å²	76.4	54%	0.535	40%	0.399	S	S	.	.	H	α-helix	trans	-99.4	-12.2	-173.7	-71.6	-65.3	0	0	0	115	A58 L59 H171 L172	A58-F62 HydrophobicContact CB-CD2 4.41Å; A58-F62 WeakPolarHBondContact O-CB 3.25Å; A58-F62 WeakPolarHBondContact O-CD2 3.24Å; A58-F62 PolarHBondContact O-N 3.32Å; L59-F62 PolarHBondContact O-N 3.39Å; F62-H171 WeakPolarHBondContact CA-O 3.47Å; F62-H171 HydrophobicContact CD1-CB 4.41Å; F62-L172 HydrophobicContact CD1-CD2 4.2Å; F62-L172 HydrophobicContact CE1-CD2 3.78Å; F62-L172 HydrophobicContact CZ-CD2 4.45Å
63	G	57.4	Low	66.4	Low	16 Å²	16	74.8 Å²	74.8	17%	0.165	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-170.2	-12.7	-175.7	0	0	0	0	0	118	L59 G67 C69	L59-G63 CarbonylContact O-C 3.55Å; L59-G63 WeakPolarHBondContact O-CA 3.43Å; L59-G63 PolarHBondContact O-N 3.06Å; G63-G67 CarbonylContact O-C 3.6Å; G63-G67 WeakPolarHBondContact O-CA 3.4Å; G63-G67 PolarHBondContact O-N 3.31Å; G63-G67 VanDerWaalsContact O-N 3.09Å; G63-C69 PolarHBondContact O-SG 2.94Å
64	G	55.8	Low	67.7	Low	12 Å²	12	74.9 Å²	74.9	12%	0.124	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	168.8	-169.8	0	0	0	0	0	112.2	L59 D66 G67 C174	L59-G64 PolarHBondContact O-N 3.24Å; G64-D66 PolarHBondContact O-N 3.23Å; G64-G67 PolarHBondContact O-N 2.7Å; G64-G67 VanDerWaalsContact O-N 3.1Å; G64-C174 PolarHBondContact N-SG 3.42Å
65	D	52.7	Low	68.7	Low	161 Å²	161	68 Å²	68	86%	0.861	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.9	-172.2	-159.3	27.4	0	0	0	114.3
66	D	56.8	Low	69.6	Low	63 Å²	63	68.5 Å²	68.5	34%	0.337	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-2.1	177.7	66.9	-2.4	0	0	0	115.2	G64 L68 C69 R72	G64-D66 PolarHBondContact O-N 3.23Å; D66-L68 PolarHBondContact O-N 2.79Å; D66-L68 WeakPolarHBondContact OD1-CA 3.48Å; D66-L68 WeakPolarHBondContact OD1-CB 3.41Å; D66-L68 PolarHBondContact OD1-N 2.92Å; D66-C69 PolarHBondContact OD1-N 3.41Å; D66-R72 IonicContact OD2-NH2 3.31Å
67	G	62.8	Low	70.8	Confident	36 Å²	36	70.1 Å²	70.1	37%	0.371	40%	0.396	S	S	.	.	S	Bend	trans	73.6	0.3	-173.5	0	0	0	0	0	114.3	G63 G64	G63-G67 CarbonylContact O-C 3.6Å; G63-G67 WeakPolarHBondContact O-CA 3.4Å; G63-G67 PolarHBondContact O-N 3.31Å; G63-G67 VanDerWaalsContact O-N 3.09Å; G64-G67 PolarHBondContact O-N 2.7Å; G64-G67 VanDerWaalsContact O-N 3.1Å
68	L	71.5	Confident	72.2	Confident	109 Å²	109	76 Å²	76	57%	0.571	41%	0.411	S	S	*	.	S	Bend	trans	-113.6	-11.8	-173.3	-68.5	160.2	0	0	0	112.7	D66 R70	D66-L68 PolarHBondContact O-N 2.79Å; D66-L68 WeakPolarHBondContact OD1-CA 3.48Å; D66-L68 WeakPolarHBondContact OD1-CB 3.41Å; D66-L68 PolarHBondContact OD1-N 2.92Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 3.36Å
69	C	83.5	Confident	73.6	Confident	8 Å²	8	75.7 Å²	75.7	5%	0.054	41%	0.406	C	S	.	.			trans	52.3	42.7	176.2	-57.9	0	0	0	0	113.2	G63 D66 K127 C174 F177	G63-C69 PolarHBondContact O-SG 2.94Å; D66-C69 PolarHBondContact OD1-N 3.41Å; C69-K127 HydrophobicContact CB-CD 3.68Å; C69-C174 HydrophobicContact CB-CB 4.05Å; C69-C174 WeakPolarHBondContact CB-SG 3.43Å; C69-C174 VanDerWaalsContact SG-CA 3.53Å; C69-C174 WeakPolarHBondContact SG-CB 3.43Å; C69-C174 CovalentContact SG-SG 2.02Å; C69-C174 PolarHBondContact SG-SG 3.39Å; C69-F177 HydrophobicContact CB-CD1 4.38Å; C69-F177 WeakPolarHBondContact O-CD1 3.45Å; C69-F177 WeakPolarHBondContact O-CE1 3.4Å
70	R	86.3	Confident	75.2	Confident	115 Å²	115	75.4 Å²	75.4	43%	0.434	41%	0.407	S	S	.	.			trans	-86.6	123.1	-177	-175.1	174.3	-68.4	157.6	-0.8	111.7	L68 R72	L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 3.36Å; R70-R72 HydrophobicContact CG-CG 4.1Å; R70-R72 PolarHBondContact O-N 3.09Å
71	Y	89	Confident	76.8	Confident	32 Å²	32	75.7 Å²	75.7	13%	0.125	41%	0.413	C	S	.	.			trans	-69.9	126.8	170.8	-174	-103.9	0	0	0	111.1	P79 L178 Q181 R182 C185	Y71-P79 HydrophobicContact CD1-CB 3.95Å; Y71-P79 HydrophobicContact CD1-CG 4.02Å; Y71-P79 HydrophobicContact CE1-CB 3.8Å; Y71-P79 HydrophobicContact CE1-CG 4.37Å; Y71-L178 HydrophobicContact CD2-CD2 4.46Å; Y71-Q181 HydrophobicContact CD1-CB 3.95Å; Y71-Q181 HydrophobicContact CD2-CB 3.77Å; Y71-Q181 HydrophobicContact CE2-CB 4.45Å; Y71-Q181 HydrophobicContact CG-CB 3.48Å; Y71-Q181 VanDerWaalsContact CG-CB 3.48Å; Y71-Q181 HydrophobicContact CG-CG 4.29Å; Y71-R182 HydrophobicContact CE2-CB 3.94Å; Y71-C185 HydrophobicContact CD1-CB 4.29Å; Y71-C185 HydrophobicContact CE1-CB 3.64Å
72	R	87.8	Confident	78.4	Confident	150 Å²	150	76.9 Å²	76.9	57%	0.566	41%	0.414	S	S	*	.			trans	-139.7	144.9	178.9	-58.1	-174.6	-164.4	-173.8	5.7	109.9	D66 R70	D66-R72 IonicContact OD2-NH2 3.31Å; R70-R72 HydrophobicContact CG-CG 4.1Å; R70-R72 PolarHBondContact O-N 3.09Å
73	C	88.6	Confident	79.9	Confident	9 Å²	9	76.4 Å²	76.4	6%	0.061	42%	0.423	C	S	.	.			trans	-75.2	142.6	170.8	-63.7	0	0	0	0	110.7	D75 G76 F77 C187	C73-D75 WeakPolarHBondContact CB-OD1 3.18Å; C73-D75 PolarHBondContact O-N 3.29Å; C73-G76 PolarHBondContact O-N 2.88Å; C73-F77 WeakPolarHBondContact CB-O 3.1Å; C73-C187 WeakPolarHBondContact CA-SG 3.46Å; C73-C187 HydrophobicContact CB-CB 3.65Å; C73-C187 WeakPolarHBondContact CB-SG 3.07Å; C73-C187 WeakPolarHBondContact SG-CA 3.43Å; C73-C187 WeakPolarHBondContact SG-CB 3.34Å; C73-C187 CovalentContact SG-SG 2.03Å; C73-C187 PolarHBondContact SG-SG 3.43Å
74	S	84.5	Confident	81.4	Confident	109 Å²	109	79.1 Å²	79.1	76%	0.762	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.8	178.8	50.5	0	0	0	0	113.2	G76	S74-G76 VanDerWaalsContact C-N 3.26Å; S74-G76 PolarHBondContact O-N 3.47Å
75	D	81.1	Confident	83.1	Confident	52 Å²	52	81.4 Å²	81.4	28%	0.278	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.3	176.3	61.7	7.4	0	0	0	113.3	C73 F77	C73-D75 WeakPolarHBondContact CB-OD1 3.18Å; C73-D75 PolarHBondContact O-N 3.29Å; D75-F77 HydrophobicContact CB-CD2 3.96Å; D75-F77 PolarHBondContact O-N 3.45Å; D75-F77 PolarHBondContact OD1-N 3Å
76	G	81.7	Confident	85	Confident	71 Å²	71	84.3 Å²	84.3	73%	0.732	46%	0.456	S	S	*	.	S	Bend	trans	76.4	-1	-179.6	0	0	0	0	0	114.7	C73 S74	C73-G76 PolarHBondContact O-N 2.88Å; S74-G76 VanDerWaalsContact C-N 3.26Å; S74-G76 PolarHBondContact O-N 3.47Å
77	F	86	Confident	86.4	Confident	108 Å²	108	85.9 Å²	85.9	47%	0.474	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-76.2	157.7	175	-72.7	-85.8	0	0	0	111.3	C73 D75 Q188	C73-F77 WeakPolarHBondContact CB-O 3.1Å; D75-F77 HydrophobicContact CB-CD2 3.96Å; D75-F77 PolarHBondContact O-N 3.45Å; D75-F77 PolarHBondContact OD1-N 3Å; F77-Q188 HydrophobicContact CB-CG 4.14Å; F77-Q188 HydrophobicContact CG-CG 4.26Å
78	K	89.2	Confident	87.4	Confident	182 Å²	182	87.3 Å²	87.3	79%	0.791	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-69.7	132.5	173.1	-71.7	-171.8	178.1	-176.1	0	109.4
79	P	92.1	Very high	87.8	Confident	31 Å²	31	87.3 Å²	87.3	20%	0.201	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-62.5	142.4	173.2	27.4	-33.8	0	0	0	109.9	Y71 C185	Y71-P79 HydrophobicContact CD1-CB 3.95Å; Y71-P79 HydrophobicContact CD1-CG 4.02Å; Y71-P79 HydrophobicContact CE1-CB 3.8Å; Y71-P79 HydrophobicContact CE1-CG 4.37Å; P79-C185 HydrophobicContact CB-CB 3.85Å
80	T	93.3	Very high	87.5	Confident	60 Å²	60	90.9 Å²	90.9	37%	0.368	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.7	177.3	53.6	0	0	0	0	110.5	R82 C123 C185 V186	T80-R82 PolarHBondContact O-N 3.39Å; T80-C123 PolarHBondContact O-SG 3.11Å; T80-C185 CarbonylContact O-C 3.52Å; T80-C185 WeakPolarHBondContact O-CA 3.34Å; T80-V186 PolarHBondContact N-O 3.25Å; T80-V186 PolarHBondContact O-N 2.9Å; T80-V186 VanDerWaalsContact OG1-CG2 3.3Å; T80-V186 WeakPolarHBondContact OG1-CG2 3.42Å; T80-V186 PolarHBondContact OG1-O 3.11Å
81	P	94.4	Very high	87	Confident	94 Å²	94	89 Å²	89	61%	0.61	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.5	133.2	176.8	-25.4	34.1	0	0	0	111.8	P83 C123	P81-P83 WeakPolarHBondContact O-CD 3.4Å; P81-C123 HydrophobicContact CB-CB 4.21Å; P81-C123 HydrophobicContact CG-CB 4.17Å
82	R	93.2	Very high	86.6	Confident	75 Å²	75	87.7 Å²	87.7	28%	0.283	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-65.5	123.2	177.5	178.5	177	-62.7	-82.8	-4.4	110	T80 G84 Y85 R182 E183 A184 C185 V186	T80-R82 PolarHBondContact O-N 3.39Å; R82-G84 PolarHBondContact O-N 3.26Å; R82-Y85 WeakPolarHBondContact O-CB 3.4Å; R82-Y85 PolarHBondContact O-N 2.97Å; R82-R182 PolarHBondContact NH2-O 2.99Å; R82-E183 VanDerWaalsContact CD-O 3.27Å; R82-E183 WeakPolarHBondContact CD-O 3.33Å; R82-E183 PolarHBondContact NE-O 2.82Å; R82-A184 WeakPolarHBondContact CB-O 3.27Å; R82-A184 PolarHBondContact N-O 3.23Å; R82-C185 PolarHBondContact NH2-O 3.42Å; R82-V186 HydrophobicContact CB-CG1 3.69Å; R82-V186 HydrophobicContact CG-CG1 3.72Å
83	P	90.9	Very high	86.1	Confident	111 Å²	111	81.4 Å²	81.4	72%	0.721	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	130.2	176.8	-25.1	34.8	0	0	0	111.6	P81 Y85	P81-P83 WeakPolarHBondContact O-CD 3.4Å; P83-Y85 PolarHBondContact O-N 2.76Å
84	G	89.3	Confident	85.2	Confident	74 Å²	74	81.4 Å²	81.4	76%	0.763	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	4	178.1	0	0	0	0	0	115.6	R82 R86	R82-G84 PolarHBondContact O-N 3.26Å; G84-R86 PolarHBondContact O-N 2.94Å
85	Y	91.4	Very high	84.1	Confident	59 Å²	59	77.3 Å²	77.3	23%	0.231	44%	0.44	C	S	.	.			trans	-59.8	135.9	173.5	180	-104.2	0	0	0	110.9	R82 P83 H87 D121 E183 A184	R82-Y85 WeakPolarHBondContact O-CB 3.4Å; R82-Y85 PolarHBondContact O-N 2.97Å; P83-Y85 PolarHBondContact O-N 2.76Å; Y85-H87 AromaticContact CE1-ND1 3.99Å; Y85-D121 HydrophobicContact CE1-CB 4.37Å; Y85-E183 HydrophobicContact CE2-CB 3.97Å; Y85-A184 HydrophobicContact CD1-CB 4.07Å; Y85-A184 HydrophobicContact CE1-CB 3.67Å; Y85-A184 HydrophobicContact CE2-CB 4.47Å
86	R	90.9	Very high	82.9	Confident	222 Å²	222	80.4 Å²	80.4	84%	0.838	46%	0.463	S	S	*	.			trans	-123	131.5	175.4	-65.4	-172.6	179.6	-151.6	0	107.7	G84	G84-R86 PolarHBondContact O-N 2.94Å
87	H	86.8	Confident	81.7	Confident	97 Å²	97	80.7 Å²	80.7	45%	0.449	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-56.7	137	175.5	-66.2	-75	0	0	0	110.5	Y85 D121	Y85-H87 AromaticContact CE1-ND1 3.99Å; H87-D121 PolarHBondContact CE1-O 2.05Å; H87-D121 WeakPolarHBondContact ND1-CB 3.37Å
88	P	83.4	Confident	80.2	Confident	65 Å²	65	78.3 Å²	78.3	42%	0.422	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-59.5	154	172.3	25.1	-32.4	0	0	0	110.6	D121	P88-D121 WeakPolarHBondContact CD-OD2 3.42Å; P88-D121 WeakPolarHBondContact CG-OD2 3.44Å
89	P	81.6	Confident	78.5	Confident	110 Å²	110	73.2 Å²	73.2	71%	0.714	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-56.8	144.9	172.2	-22.7	33.4	0	0	0	110.9	N91	P89-N91 PolarHBondContact O-N 3.41Å
90	P	76.4	Confident	76.8	Confident	83 Å²	83	75.9 Å²	75.9	54%	0.539	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-60.8	129.9	178.2	-13.9	25.3	0	0	0	111.2	N114	P90-N114 HydrophobicContact CB-CB 3.96Å; P90-N114 WeakPolarHBondContact CB-OD1 3.46Å
91	N	75.5	Confident	75.1	Confident	76 Å²	76	80.1 Å²	80.1	41%	0.406	46%	0.46	S	S	.	.			trans	-115.2	11.7	-175.7	62.4	-38.6	0	0	0	113.3	P89 G94 N114 D117	P89-N91 PolarHBondContact O-N 3.41Å; N91-G94 PolarHBondContact ND2-O 3.19Å; N91-G94 VanDerWaalsContact ND2-O 3.11Å; N91-N114 PolarHBondContact N-OD1 3.49Å; N91-D117 PolarHBondContact OD1-OD2 3.1Å
92	G	80.6	Confident	73.3	Confident	3 Å²	3	80.3 Å²	80.3	3%	0.031	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	-148.9	179.1	0	0	0	0	0	112.3	G94 C113 N114	G92-G94 PolarHBondContact O-N 2.74Å; G92-C113 WeakPolarHBondContact O-CB 3.23Å; G92-N114 VanDerWaalsContact CA-OD1 3.3Å; G92-N114 WeakPolarHBondContact CA-OD1 3.47Å; G92-N114 PolarHBondContact N-OD1 3.28Å
93	C	77.8	Confident	71.7	Confident	18 Å²	18	80.7 Å²	80.7	12%	0.122	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	28.7	178.8	-50.8	0	0	0	0	112.6	F102 C113	C93-F102 HydrophobicContact CB-CB 4.1Å; C93-F102 PolarHBondContact O-N 3.3Å; C93-C113 VanDerWaalsContact CA-SG 3.56Å; C93-C113 HydrophobicContact CB-CB 3.86Å; C93-C113 WeakPolarHBondContact CB-SG 3.46Å; C93-C113 WeakPolarHBondContact SG-CB 3.24Å; C93-C113 CovalentContact SG-SG 2.03Å; C93-C113 PolarHBondContact SG-SG 3.45Å
94	G	69	Low	70.3	Confident	9 Å²	9	81.1 Å²	81.1	9%	0.093	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.3	-179.4	0	0	0	0	0	111.5	N91 G92	N91-G94 PolarHBondContact ND2-O 3.19Å; N91-G94 VanDerWaalsContact ND2-O 3.11Å; G92-G94 PolarHBondContact O-N 2.74Å
95	S	62.3	Low	68.9	Low	24 Å²	24	80.4 Å²	80.4	17%	0.168	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.3	168.7	179.7	0	0	0	0	109.9	L97 F98 G99	S95-L97 PolarHBondContact O-N 3.02Å; S95-L97 VanDerWaalsContact O-N 3.12Å; S95-L97 WeakPolarHBondContact OG-CB 3.38Å; S95-L97 PolarHBondContact OG-N 3.32Å; S95-F98 PolarHBondContact O-N 3.23Å; S95-F98 VanDerWaalsContact OG-CD2 3.22Å; S95-F98 WeakPolarHBondContact OG-CD2 3.38Å; S95-G99 PolarHBondContact O-N 2.84Å
96	P	56.1	Low	68	Low	117 Å²	117	80.9 Å²	80.9	76%	0.76	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.9	173.1	-21.8	31.5	0	0	0	112
97	L	54.8	Low	67.5	Low	76 Å²	76	75.3 Å²	75.3	40%	0.398	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.3	-175.8	-151.2	86.8	0	0	0	113.2	S95 K175	S95-L97 PolarHBondContact O-N 3.02Å; S95-L97 VanDerWaalsContact O-N 3.12Å; S95-L97 WeakPolarHBondContact OG-CB 3.38Å; S95-L97 PolarHBondContact OG-N 3.32Å; L97-K175 HydrophobicContact CD1-CD 4.06Å; L97-K175 VanDerWaalsContact CD1-CE 3.45Å; L97-K175 HydrophobicContact CD1-CG 4.36Å; L97-K175 HydrophobicContact CD2-CB 4.3Å; L97-K175 HydrophobicContact CD2-CD 3.74Å; L97-K175 HydrophobicContact CD2-CG 3.99Å
98	F	55.5	Low	67.4	Low	58 Å²	58	73.7 Å²	73.7	25%	0.254	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-1.5	-173.4	-61	-67.9	0	0	0	113.7	L61 S95 F100 L172	L61-F98 HydrophobicContact CD1-CE1 3.93Å; L61-F98 HydrophobicContact CD1-CZ 3.88Å; S95-F98 PolarHBondContact O-N 3.23Å; S95-F98 VanDerWaalsContact OG-CD2 3.22Å; S95-F98 WeakPolarHBondContact OG-CD2 3.38Å; F98-F100 HydrophobicContact CB-CD1 3.85Å; F98-F100 HydrophobicContact CB-CD2 4.41Å; F98-F100 HydrophobicContact CB-CE1 3.34Å; F98-F100 HydrophobicContact CB-CE2 3.84Å; F98-F100 HydrophobicContact CB-CG 4.38Å; F98-F100 HydrophobicContact CB-CZ 3.31Å; F98-F100 HydrophobicContact CD2-CZ 4.35Å; F98-F100 HydrophobicContact CG-CE1 4.17Å; F98-F100 AromaticContact CG-CZ 3.87Å; F98-F100 HydrophobicContact CG-CZ 3.87Å; F98-F100 WeakPolarHBondContact O-CD1 3.45Å; F98-F100 PolarHBondContact O-N 3.45Å; F98-L172 HydrophobicContact CE1-CB 4.49Å; F98-L172 HydrophobicContact CE1-CD1 4.35Å; F98-L172 HydrophobicContact CE1-CD2 4.42Å; F98-L172 HydrophobicContact CE2-CB 3.84Å; F98-L172 HydrophobicContact CE2-CD1 4.47Å; F98-L172 HydrophobicContact CZ-CB 3.63Å; F98-L172 HydrophobicContact CZ-CD1 4.2Å; F98-L172 HydrophobicContact CZ-CD2 4.26Å; F98-L172 HydrophobicContact CZ-CG 4.25Å
99	G	52.9	Low	67.3	Low	75 Å²	75	71.4 Å²	71.4	77%	0.773	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	6.5	173.3	0	0	0	0	0	114.9	S95	S95-G99 PolarHBondContact O-N 2.84Å
100	F	56.3	Low	67.5	Low	88 Å²	88	67.5 Å²	67.5	39%	0.386	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144	174	55.5	-110.6	0	0	0	110.6	F98 F102	F98-F100 HydrophobicContact CB-CD1 3.85Å; F98-F100 HydrophobicContact CB-CD2 4.41Å; F98-F100 HydrophobicContact CB-CE1 3.34Å; F98-F100 HydrophobicContact CB-CE2 3.84Å; F98-F100 HydrophobicContact CB-CG 4.38Å; F98-F100 HydrophobicContact CB-CZ 3.31Å; F98-F100 HydrophobicContact CD2-CZ 4.35Å; F98-F100 HydrophobicContact CG-CE1 4.17Å; F98-F100 AromaticContact CG-CZ 3.87Å; F98-F100 HydrophobicContact CG-CZ 3.87Å; F98-F100 WeakPolarHBondContact O-CD1 3.45Å; F98-F100 PolarHBondContact O-N 3.45Å; F100-F102 AromaticContact CD2-CD2 3.47Å; F100-F102 HydrophobicContact CD2-CD2 3.47Å; F100-F102 VanDerWaalsContact CD2-CD2 3.47Å; F100-F102 AromaticContact CD2-CE2 3.49Å; F100-F102 HydrophobicContact CD2-CE2 3.49Å; F100-F102 VanDerWaalsContact CD2-CE2 3.49Å; F100-F102 HydrophobicContact CD2-CG 4.2Å; F100-F102 HydrophobicContact CD2-CZ 4.19Å; F100-F102 AromaticContact CE2-CD2 3.2Å; F100-F102 HydrophobicContact CE2-CD2 3.2Å; F100-F102 AromaticContact CE2-CE2 2.94Å; F100-F102 HydrophobicContact CE2-CE2 2.94Å; F100-F102 HydrophobicContact CE2-CG 4.31Å; F100-F102 AromaticContact CE2-CZ 3.9Å; F100-F102 HydrophobicContact CE2-CZ 3.9Å; F100-F102 HydrophobicContact CZ-CD2 4.24Å; F100-F102 AromaticContact CZ-CE2 3.56Å; F100-F102 HydrophobicContact CZ-CE2 3.56Å; F100-F102 HydrophobicContact CZ-CZ 4.3Å
101	H	56.9	Low	68.2	Low	149 Å²	149	70.9 Å²	70.9	69%	0.69	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.4	170.5	-71.9	52.2	0	0	0	107.7	D103	H101-D103 PolarHBondContact O-N 3.5Å
102	F	58.5	Low	69	Low	97 Å²	97	67.4 Å²	67.4	43%	0.425	39%	0.39	S	S	.	.			trans	-79.5	39.2	170.1	-85.3	-65.2	0	0	0	111.4	C93 F100 L104	C93-F102 HydrophobicContact CB-CB 4.1Å; C93-F102 PolarHBondContact O-N 3.3Å; F100-F102 AromaticContact CD2-CD2 3.47Å; F100-F102 HydrophobicContact CD2-CD2 3.47Å; F100-F102 VanDerWaalsContact CD2-CD2 3.47Å; F100-F102 AromaticContact CD2-CE2 3.49Å; F100-F102 HydrophobicContact CD2-CE2 3.49Å; F100-F102 VanDerWaalsContact CD2-CE2 3.49Å; F100-F102 HydrophobicContact CD2-CG 4.2Å; F100-F102 HydrophobicContact CD2-CZ 4.19Å; F100-F102 AromaticContact CE2-CD2 3.2Å; F100-F102 HydrophobicContact CE2-CD2 3.2Å; F100-F102 AromaticContact CE2-CE2 2.94Å; F100-F102 HydrophobicContact CE2-CE2 2.94Å; F100-F102 HydrophobicContact CE2-CG 4.31Å; F100-F102 AromaticContact CE2-CZ 3.9Å; F100-F102 HydrophobicContact CE2-CZ 3.9Å; F100-F102 HydrophobicContact CZ-CD2 4.24Å; F100-F102 AromaticContact CZ-CE2 3.56Å; F100-F102 HydrophobicContact CZ-CE2 3.56Å; F100-F102 HydrophobicContact CZ-CZ 4.3Å; F102-L104 VanDerWaalsContact C-N 3.3Å; F102-L104 PolarHBondContact O-N 3.02Å
103	D	59	Low	69.4	Low	84 Å²	84	67.5 Å²	67.5	45%	0.449	39%	0.391	S	S	.	.			trans	-85.7	82.4	176.5	-141.5	3.3	0	0	0	107.9	H101 G105 T110	H101-D103 PolarHBondContact O-N 3.5Å; D103-G105 PolarHBondContact O-N 3.39Å; D103-T110 PolarHBondContact OD1-OG1 3.12Å
104	L	61	Low	70.1	Confident	120 Å²	120	68 Å²	68	63%	0.628	39%	0.392	S	S	*	.			trans	-65.8	7.7	174.7	-65.5	175.2	0	0	0	112.5	F102 I106 M109	F102-L104 VanDerWaalsContact C-N 3.3Å; F102-L104 PolarHBondContact O-N 3.02Å; L104-I106 HydrophobicContact CB-CD1 4.15Å; L104-I106 HydrophobicContact CB-CG1 4.3Å; L104-I106 PolarHBondContact O-N 3.35Å; L104-M109 HydrophobicContact CD1-CE 4.16Å
105	G	60.3	Low	71.3	Confident	58 Å²	58	71.8 Å²	71.8	60%	0.598	41%	0.407	S	S	*	.	S	Bend	trans	67.9	21	-178.3	0	0	0	0	0	113.1	D103 P107	D103-G105 PolarHBondContact O-N 3.39Å; G105-P107 WeakPolarHBondContact O-CD 3.47Å
106	I	72	Confident	72.7	Confident	70 Å²	70	71.1 Å²	71.1	36%	0.359	40%	0.402	S	S	.	.			trans	-98.6	103	179.6	-61.3	171.1	0	0	0	108.2	L104 S108 M109 T110	L104-I106 HydrophobicContact CB-CD1 4.15Å; L104-I106 HydrophobicContact CB-CG1 4.3Å; L104-I106 PolarHBondContact O-N 3.35Å; I106-S108 PolarHBondContact O-N 2.88Å; I106-M109 HydrophobicContact CB-CB 4.23Å; I106-M109 HydrophobicContact CB-CG 4.07Å; I106-M109 HydrophobicContact CB-SD 3.8Å; I106-M109 HydrophobicContact CD1-SD 3.46Å; I106-M109 WeakPolarHBondContact CD1-SD 3.5Å; I106-M109 HydrophobicContact CG1-SD 4.18Å; I106-M109 HydrophobicContact CG2-CB 4.26Å; I106-M109 HydrophobicContact CG2-CG 3.78Å; I106-M109 HydrophobicContact CG2-SD 3.88Å; I106-M109 PolarHBondContact O-N 2.86Å; I106-T110 PolarHBondContact O-N 3.06Å; I106-T110 VanDerWaalsContact O-N 3.16Å; I106-T110 PolarHBondContact O-OG1 2.73Å
107	P	80.3	Confident	74.4	Confident	105 Å²	105	67.5 Å²	67.5	68%	0.682	38%	0.376	S	S	*	.	H	α-helix	trans	-59.1	-29.5	-171.3	-25.6	35.4	0	0	0	113.8	G105 K111	G105-P107 WeakPolarHBondContact O-CD 3.47Å; P107-K111 WeakPolarHBondContact O-CB 3.2Å; P107-K111 PolarHBondContact O-N 2.92Å
108	S	84.3	Confident	76.3	Confident	62 Å²	62	68.4 Å²	68.4	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-35.4	177.5	-60.9	0	0	0	0	112.4	I106 C112	I106-S108 PolarHBondContact O-N 2.88Å; S108-C112 PolarHBondContact O-N 3.46Å; S108-C112 PolarHBondContact O-SG 2.88Å
109	M	82.5	Confident	78.2	Confident	17 Å²	17	66 Å²	66	8%	0.084	36%	0.364	C	S	.	.	H	α-helix	trans	-73.4	-45.1	176.7	-67	172.8	72.9	0	0	110.5	L104 I106 K111 C112 C113 L138 I141 L165	L104-M109 HydrophobicContact CD1-CE 4.16Å; I106-M109 HydrophobicContact CB-CB 4.23Å; I106-M109 HydrophobicContact CB-CG 4.07Å; I106-M109 HydrophobicContact CB-SD 3.8Å; I106-M109 HydrophobicContact CD1-SD 3.46Å; I106-M109 WeakPolarHBondContact CD1-SD 3.5Å; I106-M109 HydrophobicContact CG1-SD 4.18Å; I106-M109 HydrophobicContact CG2-CB 4.26Å; I106-M109 HydrophobicContact CG2-CG 3.78Å; I106-M109 HydrophobicContact CG2-SD 3.88Å; I106-M109 PolarHBondContact O-N 2.86Å; M109-K111 PolarHBondContact O-N 3.19Å; M109-C112 WeakPolarHBondContact O-CB 3.37Å; M109-C112 PolarHBondContact O-N 2.99Å; M109-C113 PolarHBondContact O-N 3.04Å; M109-C113 PolarHBondContact O-SG 3.21Å; M109-C113 VanDerWaalsContact O-SG 3.41Å; M109-L138 HydrophobicContact CG-CD2 4.35Å; M109-I141 HydrophobicContact CB-CD1 4.47Å; M109-I141 HydrophobicContact CG-CD1 3.7Å; M109-L165 HydrophobicContact CE-CD2 3.38Å
110	T	85.9	Confident	80.1	Confident	28 Å²	28	62.8 Å²	62.8	17%	0.172	33%	0.329	C	S	.	.	H	α-helix	trans	-55	-38.1	173.8	-44.6	0	0	0	0	111.2	D103 I106 C113 N114	D103-T110 PolarHBondContact OD1-OG1 3.12Å; I106-T110 PolarHBondContact O-N 3.06Å; I106-T110 VanDerWaalsContact O-N 3.16Å; I106-T110 PolarHBondContact O-OG1 2.73Å; T110-C113 PolarHBondContact O-N 3.49Å; T110-N114 WeakPolarHBondContact O-CB 3.43Å; T110-N114 PolarHBondContact O-N 3.33Å; T110-N114 PolarHBondContact O-ND2 3Å; T110-N114 VanDerWaalsContact O-ND2 3.12Å
111	K	90.6	Very high	81.9	Confident	154 Å²	154	59 Å²	59	67%	0.67	31%	0.313	S	S	*	.	H	α-helix	trans	-63.5	-42.5	174.5	-174	-178.2	177.6	-175.5	0	112.9	P107 M109 Q115	P107-K111 WeakPolarHBondContact O-CB 3.2Å; P107-K111 PolarHBondContact O-N 2.92Å; M109-K111 PolarHBondContact O-N 3.19Å; K111-Q115 PolarHBondContact O-N 3.26Å
112	C	92.1	Very high	83.7	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.02	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-44.1	177.1	-65.5	0	0	0	0	111.7	S108 M109 Q115 H116 F134 C137 L138	S108-C112 PolarHBondContact O-N 3.46Å; S108-C112 PolarHBondContact O-SG 2.88Å; M109-C112 WeakPolarHBondContact O-CB 3.37Å; M109-C112 PolarHBondContact O-N 2.99Å; C112-Q115 WeakPolarHBondContact O-CB 3.37Å; C112-Q115 PolarHBondContact O-N 3.5Å; C112-Q115 VanDerWaalsContact O-N 3.12Å; C112-H116 PolarHBondContact O-N 3.24Å; C112-F134 HydrophobicContact CB-CD2 3.98Å; C112-F134 HydrophobicContact CB-CE2 3.84Å; C112-C137 WeakPolarHBondContact CA-SG 3.37Å; C112-C137 HydrophobicContact CB-CB 3.78Å; C112-C137 WeakPolarHBondContact CB-SG 3.25Å; C112-C137 WeakPolarHBondContact SG-CB 2.91Å; C112-C137 PolarHBondContact SG-O 2.95Å; C112-C137 CovalentContact SG-SG 2.04Å; C112-C137 PolarHBondContact SG-SG 2.98Å; C112-L138 HydrophobicContact CB-CD2 3.95Å; C112-L138 HydrophobicContact CB-CG 4.42Å
113	C	90.3	Very high	85.5	Confident	6 Å²	6	50 Å²	50	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-49.4	177.1	-63.3	0	0	0	0	111.3	G92 C93 M109 T110 Q115 H116 D117	G92-C113 WeakPolarHBondContact O-CB 3.23Å; C93-C113 VanDerWaalsContact CA-SG 3.56Å; C93-C113 HydrophobicContact CB-CB 3.86Å; C93-C113 WeakPolarHBondContact CB-SG 3.46Å; C93-C113 WeakPolarHBondContact SG-CB 3.24Å; C93-C113 CovalentContact SG-SG 2.03Å; C93-C113 PolarHBondContact SG-SG 3.45Å; M109-C113 PolarHBondContact O-N 3.04Å; M109-C113 PolarHBondContact O-SG 3.21Å; M109-C113 VanDerWaalsContact O-SG 3.41Å; T110-C113 PolarHBondContact O-N 3.49Å; C113-Q115 PolarHBondContact O-N 3.31Å; C113-H116 WeakPolarHBondContact O-CA 3.43Å; C113-H116 WeakPolarHBondContact O-CB 2.92Å; C113-H116 PolarHBondContact O-N 2.98Å; C113-D117 VanDerWaalsContact O-CG 3.32Å; C113-D117 PolarHBondContact O-N 2.57Å; C113-D117 VanDerWaalsContact O-OD2 3.13Å
114	N	90.9	Very high	87.1	Confident	28 Å²	28	48.2 Å²	48.2	15%	0.15	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-28.5	175.7	-71.3	-26.8	0	0	0	113.8	P90 N91 G92 T110 R118	P90-N114 HydrophobicContact CB-CB 3.96Å; P90-N114 WeakPolarHBondContact CB-OD1 3.46Å; N91-N114 PolarHBondContact N-OD1 3.49Å; G92-N114 VanDerWaalsContact CA-OD1 3.3Å; G92-N114 WeakPolarHBondContact CA-OD1 3.47Å; G92-N114 PolarHBondContact N-OD1 3.28Å; T110-N114 WeakPolarHBondContact O-CB 3.43Å; T110-N114 PolarHBondContact O-N 3.33Å; T110-N114 PolarHBondContact O-ND2 3Å; T110-N114 VanDerWaalsContact O-ND2 3.12Å; N114-R118 WeakPolarHBondContact O-CG 3.35Å; N114-R118 PolarHBondContact O-N 3.09Å; N114-R118 PolarHBondContact O-NE 2.84Å; N114-R118 PolarHBondContact O-NH1 3.11Å; N114-R118 PolarHBondContact O-NH2 3.29Å
115	Q	93.8	Very high	88.7	Confident	88 Å²	88	46.7 Å²	46.7	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-77.8	-37.7	175.6	-176.7	58.2	29.4	0	0	111.7	K111 C112 C113 C119	K111-Q115 PolarHBondContact O-N 3.26Å; C112-Q115 WeakPolarHBondContact O-CB 3.37Å; C112-Q115 PolarHBondContact O-N 3.5Å; C112-Q115 VanDerWaalsContact O-N 3.12Å; C113-Q115 PolarHBondContact O-N 3.31Å; Q115-C119 PolarHBondContact O-N 3.25Å; Q115-C119 VanDerWaalsContact O-N 3.16Å
116	H	92.9	Very high	90.3	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-46.3	174.9	-177.8	-112.8	0	0	0	111.4	C112 C113 R118 C119 Y120 C130 D131 F134 V169	C112-H116 PolarHBondContact O-N 3.24Å; C113-H116 WeakPolarHBondContact O-CA 3.43Å; C113-H116 WeakPolarHBondContact O-CB 2.92Å; C113-H116 PolarHBondContact O-N 2.98Å; H116-R118 VanDerWaalsContact C-N 3.33Å; H116-R118 PolarHBondContact O-N 3.04Å; H116-C119 WeakPolarHBondContact O-CA 3.11Å; H116-C119 WeakPolarHBondContact O-CB 3.39Å; H116-C119 PolarHBondContact O-N 2.8Å; H116-Y120 AromaticContact CD2-CE1 3.91Å; H116-Y120 AromaticContact CE1-CE1 3.46Å; H116-Y120 VanDerWaalsContact CE1-CE1 3.46Å; H116-Y120 WeakPolarHBondContact CE1-CE1 3.24Å; H116-Y120 AromaticContact CE1-CE2 3.48Å; H116-Y120 VanDerWaalsContact CE1-CE2 3.48Å; H116-Y120 WeakPolarHBondContact CE1-CE2 3.47Å; H116-Y120 AromaticContact CE1-CZ 3.13Å; H116-Y120 PolarHBondContact CE1-OH 3.31Å; H116-Y120 VanDerWaalsContact CE1-OH 3.3Å; H116-Y120 AromaticContact NE2-CD1 3.89Å; H116-Y120 AromaticContact NE2-CE1 3.16Å; H116-Y120 WeakPolarHBondContact NE2-CE1 3.41Å; H116-Y120 AromaticContact NE2-CZ 3.26Å; H116-Y120 VanDerWaalsContact NE2-CZ 3.26Å; H116-Y120 PolarHBondContact NE2-OH 2.94Å; H116-Y120 PolarHBondContact O-N 2.98Å; H116-C130 PolarHBondContact CD2-O 2.89Å; H116-D131 IonicContact CE1-OD1 3.11Å; H116-D131 IonicContact NE2-OD1 3.87Å; H116-D131 PolarHBondContact NE2-OD1 3.35Å; H116-F134 HydrophobicContact CB-CB 4.13Å; H116-F134 HydrophobicContact CB-CD2 3.78Å; H116-F134 HydrophobicContact CB-CE2 4.42Å; H116-F134 HydrophobicContact CB-CG 4.05Å; H116-F134 AromaticContact CD2-CG 3.93Å; H116-V169 WeakPolarHBondContact CE1-CG1 3.39Å
117	D	92.2	Very high	91.2	Very high	41 Å²	41	43.8 Å²	43.8	22%	0.219	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-45.1	176.6	-60.4	-37.9	0	0	0	111.4	N91 C113 C119 Y120 D121	N91-D117 PolarHBondContact OD1-OD2 3.1Å; C113-D117 VanDerWaalsContact O-CG 3.32Å; C113-D117 PolarHBondContact O-N 2.57Å; C113-D117 VanDerWaalsContact O-OD2 3.13Å; D117-C119 VanDerWaalsContact C-N 3.26Å; D117-C119 PolarHBondContact O-N 3.49Å; D117-Y120 PolarHBondContact O-N 2.79Å; D117-D121 WeakPolarHBondContact O-CB 3.42Å; D117-D121 PolarHBondContact O-N 3.35Å
118	R	93.8	Very high	91.7	Very high	95 Å²	95	43.4 Å²	43.4	36%	0.358	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-36.1	174.8	-80	-169.3	-70.1	-85	-0.5	113	N114 H116 S122	N114-R118 WeakPolarHBondContact O-CG 3.35Å; N114-R118 PolarHBondContact O-N 3.09Å; N114-R118 PolarHBondContact O-NE 2.84Å; N114-R118 PolarHBondContact O-NH1 3.11Å; N114-R118 PolarHBondContact O-NH2 3.29Å; H116-R118 VanDerWaalsContact C-N 3.33Å; H116-R118 PolarHBondContact O-N 3.04Å; R118-S122 PolarHBondContact O-N 3.49Å; R118-S122 PolarHBondContact O-OG 3.02Å
119	C	95.1	Very high	92.1	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.054	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-42.7	177.1	-168.9	0	0	0	0	111.1	Q115 H116 D117 D121 S122 H125 C130	Q115-C119 PolarHBondContact O-N 3.25Å; Q115-C119 VanDerWaalsContact O-N 3.16Å; H116-C119 WeakPolarHBondContact O-CA 3.11Å; H116-C119 WeakPolarHBondContact O-CB 3.39Å; H116-C119 PolarHBondContact O-N 2.8Å; D117-C119 VanDerWaalsContact C-N 3.26Å; D117-C119 PolarHBondContact O-N 3.49Å; C119-D121 VanDerWaalsContact C-N 3.31Å; C119-D121 PolarHBondContact O-N 2.92Å; C119-S122 WeakPolarHBondContact O-CB 3.46Å; C119-S122 PolarHBondContact O-N 3.1Å; C119-S122 VanDerWaalsContact O-N 3.13Å; C119-H125 PolarHBondContact SG-ND1 2.87Å; C119-H125 VanDerWaalsContact SG-ND1 3.43Å; C119-C130 HydrophobicContact CB-CB 3.63Å; C119-C130 WeakPolarHBondContact CB-SG 2.94Å; C119-C130 PolarHBondContact O-SG 3.25Å; C119-C130 WeakPolarHBondContact SG-CA 3.03Å; C119-C130 WeakPolarHBondContact SG-CB 3.39Å; C119-C130 CovalentContact SG-SG 2.03Å; C119-C130 PolarHBondContact SG-SG 3.15Å
120	Y	93.6	Very high	92.7	Very high	7 Å²	7	43 Å²	43	3%	0.027	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-37.7	174.4	-83.5	17.8	0	0	0	112.6	H116 D117 S122 K127 C130 D131 F177 S180 Q181	H116-Y120 AromaticContact CD2-CE1 3.91Å; H116-Y120 AromaticContact CE1-CE1 3.46Å; H116-Y120 VanDerWaalsContact CE1-CE1 3.46Å; H116-Y120 WeakPolarHBondContact CE1-CE1 3.24Å; H116-Y120 AromaticContact CE1-CE2 3.48Å; H116-Y120 VanDerWaalsContact CE1-CE2 3.48Å; H116-Y120 WeakPolarHBondContact CE1-CE2 3.47Å; H116-Y120 AromaticContact CE1-CZ 3.13Å; H116-Y120 PolarHBondContact CE1-OH 3.31Å; H116-Y120 VanDerWaalsContact CE1-OH 3.3Å; H116-Y120 AromaticContact NE2-CD1 3.89Å; H116-Y120 AromaticContact NE2-CE1 3.16Å; H116-Y120 WeakPolarHBondContact NE2-CE1 3.41Å; H116-Y120 AromaticContact NE2-CZ 3.26Å; H116-Y120 VanDerWaalsContact NE2-CZ 3.26Å; H116-Y120 PolarHBondContact NE2-OH 2.94Å; H116-Y120 PolarHBondContact O-N 2.98Å; D117-Y120 PolarHBondContact O-N 2.79Å; Y120-S122 PolarHBondContact O-N 2.85Å; Y120-K127 HydrophobicContact CE1-CG 3.9Å; Y120-K127 VanDerWaalsContact OH-CE 3.25Å; Y120-K127 WeakPolarHBondContact OH-CE 3.23Å; Y120-K127 WeakPolarHBondContact OH-CG 3.48Å; Y120-K127 PolarHBondContact OH-NZ 3.01Å; Y120-C130 HydrophobicContact CD1-CB 3.7Å; Y120-C130 HydrophobicContact CE1-CB 3.74Å; Y120-D131 PolarHBondContact OH-OD1 3.46Å; Y120-F177 AromaticContact CD1-CD2 3.52Å; Y120-F177 HydrophobicContact CD1-CD2 3.52Å; Y120-F177 HydrophobicContact CD1-CE2 4.24Å; Y120-F177 HydrophobicContact CD1-CG 4.49Å; Y120-F177 HydrophobicContact CD2-CB 3.86Å; Y120-F177 HydrophobicContact CD2-CD2 4.18Å; Y120-F177 HydrophobicContact CE1-CB 4.32Å; Y120-F177 AromaticContact CE1-CD2 3.72Å; Y120-F177 HydrophobicContact CE1-CD2 3.72Å; Y120-F177 HydrophobicContact CE1-CG 4.4Å; Y120-F177 HydrophobicContact CE2-CB 3.64Å; Y120-F177 HydrophobicContact CE2-CD2 4.38Å; Y120-F177 HydrophobicContact CG-CB 4.3Å; Y120-F177 AromaticContact CG-CD2 3.74Å; Y120-F177 HydrophobicContact CG-CD2 3.74Å; Y120-S180 WeakPolarHBondContact O-CB 3.13Å; Y120-Q181 PolarHBondContact O-OE1 3.38Å
121	D	93.6	Very high	93	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.048	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1.8	177.1	-69.2	-23.2	0	0	0	113.5	Y85 H87 P88 D117 C119 S180 A184	Y85-D121 HydrophobicContact CE1-CB 4.37Å; H87-D121 PolarHBondContact CE1-O 2.05Å; H87-D121 WeakPolarHBondContact ND1-CB 3.37Å; P88-D121 WeakPolarHBondContact CD-OD2 3.42Å; P88-D121 WeakPolarHBondContact CG-OD2 3.44Å; D117-D121 WeakPolarHBondContact O-CB 3.42Å; D117-D121 PolarHBondContact O-N 3.35Å; C119-D121 VanDerWaalsContact C-N 3.31Å; C119-D121 PolarHBondContact O-N 2.92Å; D121-S180 WeakPolarHBondContact OD1-CB 3.3Å; D121-S180 PolarHBondContact OD1-OG 3.04Å; D121-A184 WeakPolarHBondContact O-CB 3.25Å
122	S	94.9	Very high	93.2	Very high	31 Å²	31	38.3 Å²	38.3	22%	0.217	20%	0.203	C	C	.	.	S	Bend	trans	-91.3	109.7	177.7	-66.7	0	0	0	0	110.1	R118 C119 Y120 G124 H125 Q181	R118-S122 PolarHBondContact O-N 3.49Å; R118-S122 PolarHBondContact O-OG 3.02Å; C119-S122 WeakPolarHBondContact O-CB 3.46Å; C119-S122 PolarHBondContact O-N 3.1Å; C119-S122 VanDerWaalsContact O-N 3.13Å; Y120-S122 PolarHBondContact O-N 2.85Å; S122-G124 PolarHBondContact O-N 2.7Å; S122-H125 VanDerWaalsContact CB-CD2 3.41Å; S122-H125 WeakPolarHBondContact CB-CD2 3.42Å; S122-H125 WeakPolarHBondContact O-CB 3.46Å; S122-H125 PolarHBondContact O-CD2 3.29Å; S122-H125 PolarHBondContact O-N 3.3Å; S122-H125 VanDerWaalsContact O-N 3.14Å; S122-Q181 PolarHBondContact O-OE1 3.47Å
123	C	95.5	Very high	93.4	Very high	26 Å²	26	42.8 Å²	42.8	18%	0.176	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	128.6	-174.7	-179	0	0	0	0	113.2	T80 P81 H125 A184 C185	T80-C123 PolarHBondContact O-SG 3.11Å; P81-C123 HydrophobicContact CB-CB 4.21Å; P81-C123 HydrophobicContact CG-CB 4.17Å; C123-H125 VanDerWaalsContact C-N 3.33Å; C123-A184 HydrophobicContact CB-CB 4.25Å; C123-C185 WeakPolarHBondContact CA-SG 3.29Å; C123-C185 HydrophobicContact CB-CB 4.15Å; C123-C185 WeakPolarHBondContact CB-SG 3.41Å; C123-C185 WeakPolarHBondContact SG-CA 3.07Å; C123-C185 WeakPolarHBondContact SG-CB 3.28Å; C123-C185 CovalentContact SG-SG 2.03Å; C123-C185 PolarHBondContact SG-SG 2.7Å
124	G	93.5	Very high	93.5	Very high	46 Å²	46	42.7 Å²	42.7	47%	0.474	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-0.5	176.7	0	0	0	0	0	115.3	S122	S122-G124 PolarHBondContact O-N 2.7Å
125	H	95.1	Very high	93.6	Very high	87 Å²	87	44.4 Å²	44.4	40%	0.403	23%	0.23	S	C	.	.			trans	-64.1	157.7	170.1	-82	-128.1	0	0	0	110.9	C119 S122 C123 F177	C119-H125 PolarHBondContact SG-ND1 2.87Å; C119-H125 VanDerWaalsContact SG-ND1 3.43Å; S122-H125 VanDerWaalsContact CB-CD2 3.41Å; S122-H125 WeakPolarHBondContact CB-CD2 3.42Å; S122-H125 WeakPolarHBondContact O-CB 3.46Å; S122-H125 PolarHBondContact O-CD2 3.29Å; S122-H125 PolarHBondContact O-N 3.3Å; S122-H125 VanDerWaalsContact O-N 3.14Å; C123-H125 VanDerWaalsContact C-N 3.33Å; H125-F177 WeakPolarHBondContact O-CZ 3.28Å
126	L	92.6	Very high	93.7	Very high	55 Å²	55	44.6 Å²	44.6	29%	0.288	23%	0.234	S	C	.	.			trans	-102.5	132.2	175.3	-59.7	172.8	0	0	0	108.7	H128 D129 C130	L126-H128 VanDerWaalsContact CB-CE1 3.48Å; L126-H128 WeakPolarHBondContact CB-CE1 3Å; L126-H128 WeakPolarHBondContact CB-ND1 3.43Å; L126-H128 VanDerWaalsContact CD1-CE1 3.42Å; L126-H128 WeakPolarHBondContact CD1-CE1 3.5Å; L126-H128 PolarHBondContact O-N 3.43Å; L126-H128 VanDerWaalsContact O-N 3.15Å; L126-D129 WeakPolarHBondContact CB-OD2 3.35Å; L126-D129 WeakPolarHBondContact O-CB 3.41Å; L126-D129 PolarHBondContact O-N 3.46Å; L126-C130 PolarHBondContact O-N 3.43Å
127	K	91.3	Very high	93.8	Very high	13 Å²	13	46 Å²	46	6%	0.057	24%	0.244	C	C	.	.	H	α-helix	trans	-47.8	-47.9	-179.1	-166	-163.3	175.7	-54.2	0	112.3	C69 Y120 D129 C130 D131 M170 F177	C69-K127 HydrophobicContact CB-CD 3.68Å; Y120-K127 HydrophobicContact CE1-CG 3.9Å; Y120-K127 VanDerWaalsContact OH-CE 3.25Å; Y120-K127 WeakPolarHBondContact OH-CE 3.23Å; Y120-K127 WeakPolarHBondContact OH-CG 3.48Å; Y120-K127 PolarHBondContact OH-NZ 3.01Å; K127-D129 VanDerWaalsContact C-N 3.28Å; K127-D129 PolarHBondContact O-N 3.17Å; K127-C130 WeakPolarHBondContact O-CB 3.09Å; K127-C130 PolarHBondContact O-N 3.15Å; K127-C130 VanDerWaalsContact O-N 3.1Å; K127-D131 WeakPolarHBondContact CG-OD2 3.46Å; K127-D131 IonicContact NZ-OD1 2.73Å; K127-D131 PolarHBondContact NZ-OD1 2.98Å; K127-D131 VanDerWaalsContact NZ-OD1 3.11Å; K127-D131 IonicContact NZ-OD2 2.99Å; K127-D131 PolarHBondContact NZ-OD2 3.1Å; K127-D131 WeakPolarHBondContact O-CB 3.08Å; K127-D131 PolarHBondContact O-N 3.31Å; K127-M170 PolarHBondContact NZ-O 3.5Å; K127-F177 HydrophobicContact CB-CD1 3.86Å; K127-F177 HydrophobicContact CB-CD2 3.92Å; K127-F177 HydrophobicContact CB-CE1 3.93Å; K127-F177 HydrophobicContact CB-CE2 3.97Å; K127-F177 HydrophobicContact CB-CG 3.85Å; K127-F177 HydrophobicContact CB-CZ 3.98Å; K127-F177 HydrophobicContact CD-CB 4.32Å; K127-F177 HydrophobicContact CD-CG 4.36Å; K127-F177 HydrophobicContact CG-CB 4.06Å; K127-F177 HydrophobicContact CG-CD1 4.17Å; K127-F177 HydrophobicContact CG-CD2 3.98Å; K127-F177 HydrophobicContact CG-CG 3.77Å
128	H	90.3	Very high	93.8	Very high	97 Å²	97	44 Å²	44	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-33.9	-179.8	77.2	-35.5	0	0	0	114.1	L126 C130 D131 D132	L126-H128 VanDerWaalsContact CB-CE1 3.48Å; L126-H128 WeakPolarHBondContact CB-CE1 3Å; L126-H128 WeakPolarHBondContact CB-ND1 3.43Å; L126-H128 VanDerWaalsContact CD1-CE1 3.42Å; L126-H128 WeakPolarHBondContact CD1-CE1 3.5Å; L126-H128 PolarHBondContact O-N 3.43Å; L126-H128 VanDerWaalsContact O-N 3.15Å; H128-C130 VanDerWaalsContact C-N 3.34Å; H128-D131 PolarHBondContact O-N 2.84Å; H128-D132 WeakPolarHBondContact O-CB 3.48Å; H128-D132 PolarHBondContact O-N 3.06Å
129	D	94.1	Very high	93.7	Very high	68 Å²	68	42.7 Å²	42.7	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-73	-35.1	-179.8	-66.3	-36.1	0	0	0	110.2	L126 K127 Q133	L126-D129 WeakPolarHBondContact CB-OD2 3.35Å; L126-D129 WeakPolarHBondContact O-CB 3.41Å; L126-D129 PolarHBondContact O-N 3.46Å; K127-D129 VanDerWaalsContact C-N 3.28Å; K127-D129 PolarHBondContact O-N 3.17Å; D129-Q133 VanDerWaalsContact O-CG 3.28Å; D129-Q133 WeakPolarHBondContact O-CG 3.35Å; D129-Q133 PolarHBondContact O-N 3.2Å; D129-Q133 PolarHBondContact O-NE2 2.94Å
130	C	94.9	Very high	93.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-70.4	-42.6	176	-63.7	0	0	0	0	111.4	H116 C119 Y120 L126 K127 H128 Q133 F134	H116-C130 PolarHBondContact CD2-O 2.89Å; C119-C130 HydrophobicContact CB-CB 3.63Å; C119-C130 WeakPolarHBondContact CB-SG 2.94Å; C119-C130 PolarHBondContact O-SG 3.25Å; C119-C130 WeakPolarHBondContact SG-CA 3.03Å; C119-C130 WeakPolarHBondContact SG-CB 3.39Å; C119-C130 CovalentContact SG-SG 2.03Å; C119-C130 PolarHBondContact SG-SG 3.15Å; Y120-C130 HydrophobicContact CD1-CB 3.7Å; Y120-C130 HydrophobicContact CE1-CB 3.74Å; L126-C130 PolarHBondContact O-N 3.43Å; K127-C130 WeakPolarHBondContact O-CB 3.09Å; K127-C130 PolarHBondContact O-N 3.15Å; K127-C130 VanDerWaalsContact O-N 3.1Å; H128-C130 VanDerWaalsContact C-N 3.34Å; C130-Q133 PolarHBondContact O-N 3.24Å; C130-F134 WeakPolarHBondContact O-CB 3.44Å; C130-F134 PolarHBondContact O-N 2.93Å
131	D	92.8	Very high	93.4	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-47.1	177.3	-75.6	-16.6	0	0	0	112.6	H116 Y120 K127 H128 Q133 F134 Q135 F166 M170	H116-D131 IonicContact CE1-OD1 3.11Å; H116-D131 IonicContact NE2-OD1 3.87Å; H116-D131 PolarHBondContact NE2-OD1 3.35Å; Y120-D131 PolarHBondContact OH-OD1 3.46Å; K127-D131 WeakPolarHBondContact CG-OD2 3.46Å; K127-D131 IonicContact NZ-OD1 2.73Å; K127-D131 PolarHBondContact NZ-OD1 2.98Å; K127-D131 VanDerWaalsContact NZ-OD1 3.11Å; K127-D131 IonicContact NZ-OD2 2.99Å; K127-D131 PolarHBondContact NZ-OD2 3.1Å; K127-D131 WeakPolarHBondContact O-CB 3.08Å; K127-D131 PolarHBondContact O-N 3.31Å; H128-D131 PolarHBondContact O-N 2.84Å; D131-Q133 VanDerWaalsContact C-N 3.34Å; D131-Q133 PolarHBondContact O-N 2.9Å; D131-F134 WeakPolarHBondContact O-CA 3.48Å; D131-F134 WeakPolarHBondContact O-CB 3.16Å; D131-F134 PolarHBondContact O-N 3.11Å; D131-Q135 PolarHBondContact O-N 3.35Å; D131-F166 WeakPolarHBondContact O-CE2 3.3Å; D131-M170 HydrophobicContact CB-CE 3.7Å; D131-M170 HydrophobicContact CB-SD 3.23Å; D131-M170 WeakPolarHBondContact CB-SD 2.96Å; D131-M170 WeakPolarHBondContact OD2-CE 3.1Å
132	D	93.6	Very high	93.2	Very high	81 Å²	81	45.3 Å²	45.3	43%	0.433	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-44.2	177.7	-72.5	-8.7	0	0	0	110.7	H128 F134 Q135 D136	H128-D132 WeakPolarHBondContact O-CB 3.48Å; H128-D132 PolarHBondContact O-N 3.06Å; D132-F134 VanDerWaalsContact C-N 3.25Å; D132-F134 PolarHBondContact O-N 2.04Å; D132-Q135 WeakPolarHBondContact O-CB 3.47Å; D132-Q135 PolarHBondContact O-N 3.3Å; D132-D136 PolarHBondContact O-N 2.95Å
133	Q	96	Very high	92.9	Very high	97 Å²	97	48.4 Å²	48.4	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-35.1	173.8	-75.9	173	71	0	0	112.7	D129 C130 D131 C137	D129-Q133 VanDerWaalsContact O-CG 3.28Å; D129-Q133 WeakPolarHBondContact O-CG 3.35Å; D129-Q133 PolarHBondContact O-N 3.2Å; D129-Q133 PolarHBondContact O-NE2 2.94Å; C130-Q133 PolarHBondContact O-N 3.24Å; D131-Q133 VanDerWaalsContact C-N 3.34Å; D131-Q133 PolarHBondContact O-N 2.9Å; Q133-C137 WeakPolarHBondContact O-CB 3.36Å; Q133-C137 PolarHBondContact O-N 2.99Å
134	F	93.8	Very high	92.6	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.022	26%	0.263	C	S	.	.	H	α-helix	trans	-69.8	-42.9	177	177.2	-119.4	0	0	0	111.5	C112 H116 C130 D131 D132 D136 C137 L138 L165 F166 V169	C112-F134 HydrophobicContact CB-CD2 3.98Å; C112-F134 HydrophobicContact CB-CE2 3.84Å; H116-F134 HydrophobicContact CB-CB 4.13Å; H116-F134 HydrophobicContact CB-CD2 3.78Å; H116-F134 HydrophobicContact CB-CE2 4.42Å; H116-F134 HydrophobicContact CB-CG 4.05Å; H116-F134 AromaticContact CD2-CG 3.93Å; C130-F134 WeakPolarHBondContact O-CB 3.44Å; C130-F134 PolarHBondContact O-N 2.93Å; D131-F134 WeakPolarHBondContact O-CA 3.48Å; D131-F134 WeakPolarHBondContact O-CB 3.16Å; D131-F134 PolarHBondContact O-N 3.11Å; D132-F134 VanDerWaalsContact C-N 3.25Å; D132-F134 PolarHBondContact O-N 2.04Å; F134-D136 PolarHBondContact O-N 3.5Å; F134-C137 WeakPolarHBondContact O-CB 3.19Å; F134-C137 PolarHBondContact O-N 3.43Å; F134-L138 HydrophobicContact CD1-CD1 4.15Å; F134-L138 HydrophobicContact CD2-CD1 4.5Å; F134-L138 HydrophobicContact CD2-CG 4.33Å; F134-L138 HydrophobicContact CE1-CD1 3.62Å; F134-L138 HydrophobicContact CE1-CG 4.43Å; F134-L138 HydrophobicContact CE2-CD1 4.01Å; F134-L138 HydrophobicContact CE2-CD2 4.09Å; F134-L138 HydrophobicContact CE2-CG 3.97Å; F134-L138 HydrophobicContact CZ-CD1 3.55Å; F134-L138 HydrophobicContact CZ-CD2 4.23Å; F134-L138 HydrophobicContact CZ-CG 4.04Å; F134-L138 WeakPolarHBondContact O-CG 3.49Å; F134-L138 PolarHBondContact O-N 3.28Å; F134-L165 HydrophobicContact CZ-CD2 4.13Å; F134-L165 HydrophobicContact CZ-CG 4.24Å; F134-F166 HydrophobicContact CD1-CD2 4.07Å; F134-V169 HydrophobicContact CD1-CB 4.47Å; F134-V169 HydrophobicContact CD1-CG1 4.13Å; F134-V169 HydrophobicContact CE1-CB 3.85Å; F134-V169 HydrophobicContact CE1-CG1 3.86Å; F134-V169 HydrophobicContact CE1-CG2 3.85Å; F134-V169 HydrophobicContact CZ-CG2 4.23Å
135	Q	93.1	Very high	92.3	Very high	63 Å²	63	49.9 Å²	49.9	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-56.3	-51.7	173	-167.7	178.4	-12	0	0	111	D131 D132 C137 L138 E139 F166	D131-Q135 PolarHBondContact O-N 3.35Å; D132-Q135 WeakPolarHBondContact O-CB 3.47Å; D132-Q135 PolarHBondContact O-N 3.3Å; Q135-C137 VanDerWaalsContact C-N 3.26Å; Q135-C137 PolarHBondContact O-N 3.12Å; Q135-L138 PolarHBondContact O-N 3.41Å; Q135-L138 VanDerWaalsContact O-N 3.11Å; Q135-E139 HydrophobicContact CG-CG 4.37Å; Q135-E139 PolarHBondContact NE2-OE1 2.92Å; Q135-E139 WeakPolarHBondContact O-CG 3.4Å; Q135-E139 PolarHBondContact O-N 3.21Å; Q135-F166 HydrophobicContact CB-CD2 3.76Å; Q135-F166 HydrophobicContact CB-CE2 3.54Å; Q135-F166 HydrophobicContact CB-CG 4.41Å; Q135-F166 HydrophobicContact CB-CZ 3.99Å; Q135-F166 HydrophobicContact CG-CD1 4.43Å; Q135-F166 HydrophobicContact CG-CD2 4.12Å; Q135-F166 HydrophobicContact CG-CE1 4.37Å; Q135-F166 HydrophobicContact CG-CE2 4.1Å; Q135-F166 HydrophobicContact CG-CG 4.27Å; Q135-F166 HydrophobicContact CG-CZ 4.19Å
136	D	94.9	Very high	91.9	Very high	93 Å²	93	50.8 Å²	50.8	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-58	-39.6	179.3	-81.9	-18.4	0	0	0	112.3	D132 F134 T140 R143	D132-D136 PolarHBondContact O-N 2.95Å; F134-D136 PolarHBondContact O-N 3.5Å; D136-T140 WeakPolarHBondContact O-CB 3Å; D136-T140 PolarHBondContact O-N 3.04Å; D136-T140 VanDerWaalsContact O-N 3.09Å; D136-T140 PolarHBondContact O-OG1 2.03Å; D136-R143 PolarHBondContact O-NH2 2.96Å
137	C	95.5	Very high	91.6	Very high	39 Å²	39	56.6 Å²	56.6	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-48.4	176.1	-171.2	0	0	0	0	111.3	C112 Q133 F134 Q135 T140	C112-C137 WeakPolarHBondContact CA-SG 3.37Å; C112-C137 HydrophobicContact CB-CB 3.78Å; C112-C137 WeakPolarHBondContact CB-SG 3.25Å; C112-C137 WeakPolarHBondContact SG-CB 2.91Å; C112-C137 PolarHBondContact SG-O 2.95Å; C112-C137 CovalentContact SG-SG 2.04Å; C112-C137 PolarHBondContact SG-SG 2.98Å; Q133-C137 WeakPolarHBondContact O-CB 3.36Å; Q133-C137 PolarHBondContact O-N 2.99Å; F134-C137 WeakPolarHBondContact O-CB 3.19Å; F134-C137 PolarHBondContact O-N 3.43Å; Q135-C137 VanDerWaalsContact C-N 3.26Å; Q135-C137 PolarHBondContact O-N 3.12Å; C137-T140 WeakPolarHBondContact O-CB 3.43Å; C137-T140 PolarHBondContact O-N 2.02Å
138	L	91.6	Very high	91.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-43.5	-179.6	-67	176.7	0	0	0	112	M109 C112 F134 Q135 T140 I141 V162 L165 F166	M109-L138 HydrophobicContact CG-CD2 4.35Å; C112-L138 HydrophobicContact CB-CD2 3.95Å; C112-L138 HydrophobicContact CB-CG 4.42Å; F134-L138 HydrophobicContact CD1-CD1 4.15Å; F134-L138 HydrophobicContact CD2-CD1 4.5Å; F134-L138 HydrophobicContact CD2-CG 4.33Å; F134-L138 HydrophobicContact CE1-CD1 3.62Å; F134-L138 HydrophobicContact CE1-CG 4.43Å; F134-L138 HydrophobicContact CE2-CD1 4.01Å; F134-L138 HydrophobicContact CE2-CD2 4.09Å; F134-L138 HydrophobicContact CE2-CG 3.97Å; F134-L138 HydrophobicContact CZ-CD1 3.55Å; F134-L138 HydrophobicContact CZ-CD2 4.23Å; F134-L138 HydrophobicContact CZ-CG 4.04Å; F134-L138 WeakPolarHBondContact O-CG 3.49Å; F134-L138 PolarHBondContact O-N 3.28Å; Q135-L138 PolarHBondContact O-N 3.41Å; Q135-L138 VanDerWaalsContact O-N 3.11Å; L138-T140 PolarHBondContact O-N 3.5Å; L138-I141 HydrophobicContact CD2-CD1 4.13Å; L138-I141 WeakPolarHBondContact O-CB 3.06Å; L138-I141 WeakPolarHBondContact O-CG1 3.07Å; L138-I141 PolarHBondContact O-N 3.24Å; L138-V162 HydrophobicContact CB-CB 4.22Å; L138-V162 HydrophobicContact CB-CG1 3.36Å; L138-V162 HydrophobicContact CB-CG2 3.96Å; L138-V162 HydrophobicContact CD1-CG1 4.15Å; L138-V162 HydrophobicContact CG-CG1 4.38Å; L138-L165 HydrophobicContact CD1-CD2 3.97Å; L138-L165 HydrophobicContact CD1-CG 4.24Å; L138-L165 HydrophobicContact CD2-CD2 3.89Å; L138-F166 HydrophobicContact CD1-CB 4.24Å
139	E	91.5	Very high	91.1	Very high	68 Å²	68	61.6 Å²	61.6	32%	0.318	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-32.5	177.6	-70.6	-177.9	-176.9	0	0	112.3	Q135 I141 C142 R143	Q135-E139 HydrophobicContact CG-CG 4.37Å; Q135-E139 PolarHBondContact NE2-OE1 2.92Å; Q135-E139 WeakPolarHBondContact O-CG 3.4Å; Q135-E139 PolarHBondContact O-N 3.21Å; E139-I141 PolarHBondContact O-N 3.03Å; E139-C142 PolarHBondContact O-N 3.33Å; E139-C142 VanDerWaalsContact O-N 3.11Å; E139-R143 PolarHBondContact O-N 3.04Å; E139-R143 IonicContact OE2-NH1 3.61Å; E139-R143 PolarHBondContact OE2-NH1 3.04Å
140	T	93	Very high	90.3	Very high	53 Å²	53	61.2 Å²	61.2	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-32.3	173.5	-60.7	0	0	0	0	111.8	D136 C137 L138 R143 N144	D136-T140 WeakPolarHBondContact O-CB 3Å; D136-T140 PolarHBondContact O-N 3.04Å; D136-T140 VanDerWaalsContact O-N 3.09Å; D136-T140 PolarHBondContact O-OG1 2.03Å; C137-T140 WeakPolarHBondContact O-CB 3.43Å; C137-T140 PolarHBondContact O-N 2.02Å; L138-T140 PolarHBondContact O-N 3.5Å; T140-R143 PolarHBondContact O-N 3.4Å; T140-R143 PolarHBondContact OG1-NH2 2.95Å; T140-N144 WeakPolarHBondContact O-CB 3.32Å; T140-N144 PolarHBondContact O-N 3.02Å; T140-N144 PolarHBondContact O-ND2 2.92Å
141	I	90	Very high	89.7	Confident	21 Å²	21	66 Å²	66	11%	0.108	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-48.8	175.1	-54.1	175.9	0	0	0	109.8	M109 L138 E139 R143 N144 V145	M109-I141 HydrophobicContact CB-CD1 4.47Å; M109-I141 HydrophobicContact CG-CD1 3.7Å; L138-I141 HydrophobicContact CD2-CD1 4.13Å; L138-I141 WeakPolarHBondContact O-CB 3.06Å; L138-I141 WeakPolarHBondContact O-CG1 3.07Å; L138-I141 PolarHBondContact O-N 3.24Å; E139-I141 PolarHBondContact O-N 3.03Å; I141-R143 PolarHBondContact O-N 2.93Å; I141-N144 WeakPolarHBondContact O-CB 3.23Å; I141-N144 PolarHBondContact O-N 2.99Å; I141-N144 VanDerWaalsContact O-N 3.11Å; I141-V145 WeakPolarHBondContact O-CG2 3.41Å; I141-V145 PolarHBondContact O-N 3.16Å
142	C	88.4	Confident	89.1	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.027	38%	0.377	C	S	.	.	H	α-helix	trans	-67.2	-37	-179.5	-57.2	0	0	0	0	112.4	E139 N144 V145 Q146 C158 E159 V162	E139-C142 PolarHBondContact O-N 3.33Å; E139-C142 VanDerWaalsContact O-N 3.11Å; C142-N144 VanDerWaalsContact C-N 3.29Å; C142-N144 PolarHBondContact O-N 2.98Å; C142-V145 PolarHBondContact O-N 3.21Å; C142-Q146 WeakPolarHBondContact O-CB 3.23Å; C142-Q146 PolarHBondContact O-N 3.49Å; C142-C158 WeakPolarHBondContact CA-SG 3.01Å; C142-C158 HydrophobicContact CB-CB 3.87Å; C142-C158 WeakPolarHBondContact CB-SG 3.43Å; C142-C158 WeakPolarHBondContact SG-CB 3.32Å; C142-C158 PolarHBondContact SG-O 2.75Å; C142-C158 VanDerWaalsContact SG-O 3.41Å; C142-C158 CovalentContact SG-SG 2.05Å; C142-C158 PolarHBondContact SG-SG 3.12Å; C142-E159 HydrophobicContact CB-CG 4.17Å; C142-E159 PolarHBondContact SG-N 3.25Å; C142-E159 VanDerWaalsContact SG-N 3.42Å; C142-V162 VanDerWaalsContact SG-CG2 3.6Å
143	R	90.1	Very high	88.3	Confident	97 Å²	97	74 Å²	74	37%	0.366	39%	0.394	S	S	.	.	H	α-helix	trans	-59.8	-38.8	170.6	-67.9	-172.5	-73	-99.5	6.7	112.2	D136 E139 T140 I141 R147	D136-R143 PolarHBondContact O-NH2 2.96Å; E139-R143 PolarHBondContact O-N 3.04Å; E139-R143 IonicContact OE2-NH1 3.61Å; E139-R143 PolarHBondContact OE2-NH1 3.04Å; T140-R143 PolarHBondContact O-N 3.4Å; T140-R143 PolarHBondContact OG1-NH2 2.95Å; I141-R143 PolarHBondContact O-N 2.93Å; R143-R147 WeakPolarHBondContact O-CG 3.41Å; R143-R147 PolarHBondContact O-N 3.45Å; R143-R147 VanDerWaalsContact O-N 3.08Å
144	N	88.9	Confident	87.5	Confident	68 Å²	68	72 Å²	72	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-69.8	-40.8	176.4	-67.6	-22.2	0	0	0	111.8	T140 I141 C142 R147 T148	T140-N144 WeakPolarHBondContact O-CB 3.32Å; T140-N144 PolarHBondContact O-N 3.02Å; T140-N144 PolarHBondContact O-ND2 2.92Å; I141-N144 WeakPolarHBondContact O-CB 3.23Å; I141-N144 PolarHBondContact O-N 2.99Å; I141-N144 VanDerWaalsContact O-N 3.11Å; C142-N144 VanDerWaalsContact C-N 3.29Å; C142-N144 PolarHBondContact O-N 2.98Å; N144-R147 PolarHBondContact O-N 3.16Å; N144-R147 PolarHBondContact OD1-NH1 3.29Å; N144-T148 WeakPolarHBondContact O-CB 3.16Å; N144-T148 PolarHBondContact O-N 3.01Å; N144-T148 PolarHBondContact O-OG1 3.47Å
145	V	86.3	Confident	87	Confident	35 Å²	35	72.4 Å²	72.4	21%	0.212	39%	0.391	C	S	.	.	H	α-helix	trans	-60.4	-45.9	174.2	168.9	0	0	0	0	110.6	I141 C142 R147 T148 L149 T154	I141-V145 WeakPolarHBondContact O-CG2 3.41Å; I141-V145 PolarHBondContact O-N 3.16Å; C142-V145 PolarHBondContact O-N 3.21Å; V145-R147 PolarHBondContact O-N 2.97Å; V145-T148 PolarHBondContact O-N 3.14Å; V145-L149 HydrophobicContact CG1-CD1 4.31Å; V145-L149 PolarHBondContact O-N 2.03Å; V145-T154 HydrophobicContact CG1-CG2 3.84Å
146	Q	86.4	Confident	86.7	Confident	106 Å²	106	75.6 Å²	75.6	50%	0.495	41%	0.406	S	S	.	.	H	α-helix	trans	-57.1	-47.4	175.3	-177.1	177.6	1.2	0	0	111.7	C142 T148 G150 V155	C142-Q146 WeakPolarHBondContact O-CB 3.23Å; C142-Q146 PolarHBondContact O-N 3.49Å; Q146-T148 VanDerWaalsContact C-N 3.32Å; Q146-T148 PolarHBondContact O-N 3.43Å; Q146-G150 VanDerWaalsContact O-CA 3.28Å; Q146-G150 WeakPolarHBondContact O-CA 3.15Å; Q146-G150 PolarHBondContact O-N 3.13Å; Q146-V155 HydrophobicContact CB-CG1 4.3Å; Q146-V155 HydrophobicContact CB-CG2 3.53Å; Q146-V155 HydrophobicContact CG-CG2 3.89Å
147	R	87.5	Confident	86.2	Confident	177 Å²	177	74 Å²	74	67%	0.668	41%	0.406	S	S	*	.	H	α-helix	trans	-65.6	-33.4	178.1	-74.2	-167.4	-124	97.5	2.4	113.3	R143 N144 V145	R143-R147 WeakPolarHBondContact O-CG 3.41Å; R143-R147 PolarHBondContact O-N 3.45Å; R143-R147 VanDerWaalsContact O-N 3.08Å; N144-R147 PolarHBondContact O-N 3.16Å; N144-R147 PolarHBondContact OD1-NH1 3.29Å; V145-R147 PolarHBondContact O-N 2.97Å
148	T	86.6	Confident	85.7	Confident	114 Å²	114	73.2 Å²	73.2	70%	0.699	40%	0.4	S	S	*	.	H	α-helix	trans	-83.5	-42	-174.6	-52.2	0	0	0	0	112.4	N144 V145 Q146	N144-T148 WeakPolarHBondContact O-CB 3.16Å; N144-T148 PolarHBondContact O-N 3.01Å; N144-T148 PolarHBondContact O-OG1 3.47Å; V145-T148 PolarHBondContact O-N 3.14Å; Q146-T148 VanDerWaalsContact C-N 3.32Å; Q146-T148 PolarHBondContact O-N 3.43Å
149	L	83.4	Confident	85.5	Confident	100 Å²	100	78.2 Å²	78.2	52%	0.524	42%	0.424	S	S	.	.	H	α-helix	trans	-108.5	-26.8	-171.5	-62.8	178.4	0	0	0	113.3	V145 L151 T154	V145-L149 HydrophobicContact CG1-CD1 4.31Å; V145-L149 PolarHBondContact O-N 2.03Å; L149-L151 PolarHBondContact O-N 3.47Å; L149-T154 HydrophobicContact CD1-CG2 4.12Å
150	G	78.8	Confident	85.3	Confident	61 Å²	61	78.4 Å²	78.4	63%	0.629	43%	0.432	S	S	*	.			trans	63.4	4.6	178.5	0	0	0	0	0	115.7	Q146	Q146-G150 VanDerWaalsContact O-CA 3.28Å; Q146-G150 WeakPolarHBondContact O-CA 3.15Å; Q146-G150 PolarHBondContact O-N 3.13Å
151	L	82.4	Confident	84.9	Confident	102 Å²	102	78.3 Å²	78.3	53%	0.534	44%	0.437	S	S	.	.			trans	-87.7	110.5	-177.4	-65	171.6	0	0	0	110.3	L149 Q153 T154 V155	L149-L151 PolarHBondContact O-N 3.47Å; L151-Q153 VanDerWaalsContact C-N 3.25Å; L151-Q153 PolarHBondContact O-N 3.18Å; L151-T154 PolarHBondContact O-N 3.35Å; L151-V155 WeakPolarHBondContact O-CG2 3.38Å; L151-V155 PolarHBondContact O-N 3.44Å; L151-V155 VanDerWaalsContact O-N 3.15Å
152	A	79.7	Confident	84.6	Confident	82 Å²	82	77.8 Å²	77.8	68%	0.678	44%	0.435	S	S	*	.	H	α-helix	trans	-53.8	-39.8	-177.9	0	0	0	0	0	113.4	T154 V155 Q156	A152-T154 PolarHBondContact O-N 3.46Å; A152-V155 PolarHBondContact O-N 3.27Å; A152-Q156 PolarHBondContact O-N 3.17Å
153	Q	77.4	Confident	84.5	Confident	170 Å²	170	83.5 Å²	83.5	79%	0.794	46%	0.459	S	S	*	.	H	α-helix	trans	-64.9	-37.8	179.2	-66	171	4	0	0	112.5	L151 A157	L151-Q153 VanDerWaalsContact C-N 3.25Å; L151-Q153 PolarHBondContact O-N 3.18Å; Q153-A157 PolarHBondContact O-N 2.93Å; Q153-A157 VanDerWaalsContact O-N 3.14Å
154	T	78.1	Confident	84.2	Confident	55 Å²	55	85.1 Å²	85.1	34%	0.337	47%	0.474	S	S	.	.	H	α-helix	trans	-71.1	-35.5	177.8	-50.7	0	0	0	0	111.6	V145 L149 L151 A152 C158	V145-T154 HydrophobicContact CG1-CG2 3.84Å; L149-T154 HydrophobicContact CD1-CG2 4.12Å; L151-T154 PolarHBondContact O-N 3.35Å; A152-T154 PolarHBondContact O-N 3.46Å; T154-C158 WeakPolarHBondContact O-CB 3.39Å; T154-C158 PolarHBondContact O-N 2.88Å
155	V	84.1	Confident	83.8	Confident	13 Å²	13	82.7 Å²	82.7	8%	0.079	46%	0.461	C	S	.	.	H	α-helix	trans	-66	-46.6	175.9	178.7	0	0	0	0	110.7	Q146 L151 A152 A157 C158 E159	Q146-V155 HydrophobicContact CB-CG1 4.3Å; Q146-V155 HydrophobicContact CB-CG2 3.53Å; Q146-V155 HydrophobicContact CG-CG2 3.89Å; L151-V155 WeakPolarHBondContact O-CG2 3.38Å; L151-V155 PolarHBondContact O-N 3.44Å; L151-V155 VanDerWaalsContact O-N 3.15Å; A152-V155 PolarHBondContact O-N 3.27Å; V155-A157 VanDerWaalsContact C-N 3.34Å; V155-A157 PolarHBondContact O-N 2.94Å; V155-C158 WeakPolarHBondContact O-CB 3.05Å; V155-C158 PolarHBondContact O-N 3.06Å; V155-C158 VanDerWaalsContact O-N 3.12Å; V155-E159 HydrophobicContact CG1-CG 4.42Å; V155-E159 WeakPolarHBondContact O-CG 3.25Å; V155-E159 PolarHBondContact O-N 3Å
156	Q	86.7	Confident	83.7	Confident	129 Å²	129	82.1 Å²	82.1	60%	0.603	46%	0.456	S	S	*	.	H	α-helix	trans	-61.5	-41.2	178	-174.1	179.7	4.1	0	0	112.4	A152 C158 E159 S160	A152-Q156 PolarHBondContact O-N 3.17Å; Q156-C158 VanDerWaalsContact C-N 3.33Å; Q156-E159 PolarHBondContact O-N 2.97Å; Q156-S160 WeakPolarHBondContact O-CB 3.44Å; Q156-S160 PolarHBondContact O-N 2.89Å; Q156-S160 PolarHBondContact O-OG 3.38Å
157	A	84.3	Confident	83.4	Confident	61 Å²	61	79.6 Å²	79.6	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-63.2	-40	175.2	0	0	0	0	0	111.8	Q153 V155 A161	Q153-A157 PolarHBondContact O-N 2.93Å; Q153-A157 VanDerWaalsContact O-N 3.14Å; V155-A157 VanDerWaalsContact C-N 3.34Å; V155-A157 PolarHBondContact O-N 2.94Å; A157-A161 WeakPolarHBondContact O-CB 3.39Å; A157-A161 PolarHBondContact O-N 3.35Å
158	C	85.6	Confident	83.1	Confident	21 Å²	21	72.7 Å²	72.7	14%	0.142	43%	0.427	C	S	.	.	H	α-helix	trans	-61.8	-51.3	174	-176.7	0	0	0	0	111.7	C142 T154 V155 Q156 S160 A161 V162	C142-C158 WeakPolarHBondContact CA-SG 3.01Å; C142-C158 HydrophobicContact CB-CB 3.87Å; C142-C158 WeakPolarHBondContact CB-SG 3.43Å; C142-C158 WeakPolarHBondContact SG-CB 3.32Å; C142-C158 PolarHBondContact SG-O 2.75Å; C142-C158 VanDerWaalsContact SG-O 3.41Å; C142-C158 CovalentContact SG-SG 2.05Å; C142-C158 PolarHBondContact SG-SG 3.12Å; T154-C158 WeakPolarHBondContact O-CB 3.39Å; T154-C158 PolarHBondContact O-N 2.88Å; V155-C158 WeakPolarHBondContact O-CB 3.05Å; V155-C158 PolarHBondContact O-N 3.06Å; V155-C158 VanDerWaalsContact O-N 3.12Å; Q156-C158 VanDerWaalsContact C-N 3.33Å; C158-S160 VanDerWaalsContact C-N 3.27Å; C158-S160 PolarHBondContact O-N 3.38Å; C158-A161 PolarHBondContact O-N 2.9Å; C158-A161 VanDerWaalsContact O-N 3.17Å; C158-V162 WeakPolarHBondContact O-CB 3.38Å; C158-V162 PolarHBondContact O-N 3.4Å
159	E	87.3	Confident	82.7	Confident	106 Å²	106	68.9 Å²	68.9	50%	0.495	40%	0.403	S	S	.	.	H	α-helix	trans	-58.3	-42.1	-179.3	-72.4	173.4	172	0	0	111.3	C142 V155 Q156 K163	C142-E159 HydrophobicContact CB-CG 4.17Å; C142-E159 PolarHBondContact SG-N 3.25Å; C142-E159 VanDerWaalsContact SG-N 3.42Å; V155-E159 HydrophobicContact CG1-CG 4.42Å; V155-E159 WeakPolarHBondContact O-CG 3.25Å; V155-E159 PolarHBondContact O-N 3Å; Q156-E159 PolarHBondContact O-N 2.97Å; E159-K163 WeakPolarHBondContact O-CB 3.45Å; E159-K163 PolarHBondContact O-N 3.19Å
160	S	86.8	Confident	82.6	Confident	71 Å²	71	66.6 Å²	66.6	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-43.5	177.6	-56.7	0	0	0	0	112.1	Q156 C158 L164	Q156-S160 WeakPolarHBondContact O-CB 3.44Å; Q156-S160 PolarHBondContact O-N 2.89Å; Q156-S160 PolarHBondContact O-OG 3.38Å; C158-S160 VanDerWaalsContact C-N 3.27Å; C158-S160 PolarHBondContact O-N 3.38Å; S160-L164 WeakPolarHBondContact O-CB 3.45Å; S160-L164 PolarHBondContact O-N 3.41Å
161	A	83.9	Confident	82.5	Confident	51 Å²	51	68.7 Å²	68.7	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-67	-44.1	178.4	0	0	0	0	0	112.1	A157 C158 L164 L165	A157-A161 WeakPolarHBondContact O-CB 3.39Å; A157-A161 PolarHBondContact O-N 3.35Å; C158-A161 PolarHBondContact O-N 2.9Å; C158-A161 VanDerWaalsContact O-N 3.17Å; A161-L164 PolarHBondContact O-N 2.84Å; A161-L165 PolarHBondContact O-N 3.22Å
162	V	85.1	Confident	82.4	Confident	10 Å²	10	65.9 Å²	65.9	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-61.2	-45.2	175.5	156.3	0	0	0	0	111	L138 C142 C158 L164 L165 F166	L138-V162 HydrophobicContact CB-CB 4.22Å; L138-V162 HydrophobicContact CB-CG1 3.36Å; L138-V162 HydrophobicContact CB-CG2 3.96Å; L138-V162 HydrophobicContact CD1-CG1 4.15Å; L138-V162 HydrophobicContact CG-CG1 4.38Å; C142-V162 VanDerWaalsContact SG-CG2 3.6Å; C158-V162 WeakPolarHBondContact O-CB 3.38Å; C158-V162 PolarHBondContact O-N 3.4Å; V162-L164 PolarHBondContact O-N 3.44Å; V162-L165 PolarHBondContact O-N 2.73Å; V162-F166 WeakPolarHBondContact O-CB 3.37Å; V162-F166 PolarHBondContact O-N 3.3Å
163	K	85.4	Confident	82.6	Confident	125 Å²	125	62.1 Å²	62.1	54%	0.543	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-46	177.6	179.6	168.6	176.2	49.2	0	111.7	E159 L165 F166 D167	E159-K163 WeakPolarHBondContact O-CB 3.45Å; E159-K163 PolarHBondContact O-N 3.19Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 3.47Å; K163-F166 PolarHBondContact O-N 3.26Å; K163-D167 WeakPolarHBondContact CG-OD2 3.46Å; K163-D167 IonicContact NZ-OD1 3.04Å; K163-D167 IonicContact NZ-OD2 3.72Å; K163-D167 PolarHBondContact NZ-OD2 3.23Å; K163-D167 WeakPolarHBondContact O-CB 3.44Å; K163-D167 VanDerWaalsContact O-CG 3.26Å; K163-D167 PolarHBondContact O-N 3.35Å
164	L	83.7	Confident	83	Confident	130 Å²	130	54.1 Å²	54.1	68%	0.681	30%	0.301	S	S	*	.	H	α-helix	trans	-60.5	-43.8	177.5	180	64.6	0	0	0	111.8	S160 A161 V162 A168	S160-L164 WeakPolarHBondContact O-CB 3.45Å; S160-L164 PolarHBondContact O-N 3.41Å; A161-L164 PolarHBondContact O-N 2.84Å; V162-L164 PolarHBondContact O-N 3.44Å; L164-A168 WeakPolarHBondContact O-CB 3.36Å; L164-A168 PolarHBondContact O-N 3.12Å
165	L	81.3	Confident	83.4	Confident	18 Å²	18	55.6 Å²	55.6	9%	0.094	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-48.8	177.1	176.1	63.1	0	0	0	111.3	M109 F134 L138 A161 V162 K163 A168 V169	M109-L165 HydrophobicContact CE-CD2 3.38Å; F134-L165 HydrophobicContact CZ-CD2 4.13Å; F134-L165 HydrophobicContact CZ-CG 4.24Å; L138-L165 HydrophobicContact CD1-CD2 3.97Å; L138-L165 HydrophobicContact CD1-CG 4.24Å; L138-L165 HydrophobicContact CD2-CD2 3.89Å; A161-L165 PolarHBondContact O-N 3.22Å; V162-L165 PolarHBondContact O-N 2.73Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 3.47Å; L165-A168 PolarHBondContact O-N 3.41Å; L165-V169 HydrophobicContact CD1-CG2 4.12Å; L165-V169 WeakPolarHBondContact O-CG2 3.4Å; L165-V169 PolarHBondContact O-N 3.05Å
166	F	82.5	Confident	83.5	Confident	22 Å²	22	56.6 Å²	56.6	10%	0.096	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-52.2	177.6	174.8	-105.3	0	0	0	111	D131 F134 Q135 L138 V162 K163 A168 V169 M170	D131-F166 WeakPolarHBondContact O-CE2 3.3Å; F134-F166 HydrophobicContact CD1-CD2 4.07Å; Q135-F166 HydrophobicContact CB-CD2 3.76Å; Q135-F166 HydrophobicContact CB-CE2 3.54Å; Q135-F166 HydrophobicContact CB-CG 4.41Å; Q135-F166 HydrophobicContact CB-CZ 3.99Å; Q135-F166 HydrophobicContact CG-CD1 4.43Å; Q135-F166 HydrophobicContact CG-CD2 4.12Å; Q135-F166 HydrophobicContact CG-CE1 4.37Å; Q135-F166 HydrophobicContact CG-CE2 4.1Å; Q135-F166 HydrophobicContact CG-CG 4.27Å; Q135-F166 HydrophobicContact CG-CZ 4.19Å; L138-F166 HydrophobicContact CD1-CB 4.24Å; V162-F166 WeakPolarHBondContact O-CB 3.37Å; V162-F166 PolarHBondContact O-N 3.3Å; K163-F166 PolarHBondContact O-N 3.26Å; F166-A168 PolarHBondContact O-N 3.3Å; F166-V169 PolarHBondContact O-N 3.25Å; F166-V169 VanDerWaalsContact O-N 3.1Å; F166-M170 HydrophobicContact CD1-CG 3.86Å; F166-M170 HydrophobicContact CD2-CG 3.8Å; F166-M170 HydrophobicContact CD2-SD 4.21Å; F166-M170 HydrophobicContact CE1-CG 3.48Å; F166-M170 VanDerWaalsContact CE1-CG 3.48Å; F166-M170 HydrophobicContact CE1-SD 4.29Å; F166-M170 HydrophobicContact CE2-CG 3.38Å; F166-M170 HydrophobicContact CE2-SD 3.37Å; F166-M170 WeakPolarHBondContact CE2-SD 3.45Å; F166-M170 HydrophobicContact CG-CG 4.03Å; F166-M170 HydrophobicContact CZ-CE 4.12Å; F166-M170 HydrophobicContact CZ-CG 3.24Å; F166-M170 HydrophobicContact CZ-SD 3.45Å; F166-M170 WeakPolarHBondContact CZ-SD 3.38Å; F166-M170 WeakPolarHBondContact O-CB 3.32Å; F166-M170 VanDerWaalsContact O-CG 3.24Å; F166-M170 WeakPolarHBondContact O-CG 2.94Å; F166-M170 PolarHBondContact O-N 2.76Å
167	D	81.8	Confident	83.7	Confident	53 Å²	53	50.5 Å²	50.5	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-57.8	-39.2	-179.6	-71.8	-19.9	0	0	0	110.9	K163 H171	K163-D167 WeakPolarHBondContact CG-OD2 3.46Å; K163-D167 IonicContact NZ-OD1 3.04Å; K163-D167 IonicContact NZ-OD2 3.72Å; K163-D167 PolarHBondContact NZ-OD2 3.23Å; K163-D167 WeakPolarHBondContact O-CB 3.44Å; K163-D167 VanDerWaalsContact O-CG 3.26Å; K163-D167 PolarHBondContact O-N 3.35Å; D167-H171 PolarHBondContact O-N 3.11Å; D167-H171 PolarHBondContact O-ND1 3.49Å
168	A	80.5	Confident	83.9	Confident	32 Å²	32	50 Å²	50	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-49.3	174.5	0	0	0	0	0	112.7	L164 L165 F166 M170 L172	L164-A168 WeakPolarHBondContact O-CB 3.36Å; L164-A168 PolarHBondContact O-N 3.12Å; L165-A168 PolarHBondContact O-N 3.41Å; F166-A168 PolarHBondContact O-N 3.3Å; A168-M170 VanDerWaalsContact C-N 3.34Å; A168-M170 PolarHBondContact O-N 3.29Å; A168-L172 VanDerWaalsContact O-CB 3.25Å; A168-L172 WeakPolarHBondContact O-CB 3.34Å; A168-L172 WeakPolarHBondContact O-CG 3.16Å; A168-L172 PolarHBondContact O-N 3.07Å
169	V	78.3	Confident	84.1	Confident	35 Å²	35	51.4 Å²	51.4	21%	0.212	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-37.8	-180	171.9	0	0	0	0	111.6	H116 F134 L165 F166 G173	H116-V169 WeakPolarHBondContact CE1-CG1 3.39Å; F134-V169 HydrophobicContact CD1-CB 4.47Å; F134-V169 HydrophobicContact CD1-CG1 4.13Å; F134-V169 HydrophobicContact CE1-CB 3.85Å; F134-V169 HydrophobicContact CE1-CG1 3.86Å; F134-V169 HydrophobicContact CE1-CG2 3.85Å; F134-V169 HydrophobicContact CZ-CG2 4.23Å; L165-V169 HydrophobicContact CD1-CG2 4.12Å; L165-V169 WeakPolarHBondContact O-CG2 3.4Å; L165-V169 PolarHBondContact O-N 3.05Å; F166-V169 PolarHBondContact O-N 3.25Å; F166-V169 VanDerWaalsContact O-N 3.1Å; V169-G173 WeakPolarHBondContact O-CA 3.22Å; V169-G173 PolarHBondContact O-N 3.26Å
170	M	80.8	Confident	84.4	Confident	52 Å²	52	47.5 Å²	47.5	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-55.5	177.3	-75.9	-52.8	-71.4	0	0	111.9	K127 D131 F166 A168	K127-M170 PolarHBondContact NZ-O 3.5Å; D131-M170 HydrophobicContact CB-CE 3.7Å; D131-M170 HydrophobicContact CB-SD 3.23Å; D131-M170 WeakPolarHBondContact CB-SD 2.96Å; D131-M170 WeakPolarHBondContact OD2-CE 3.1Å; F166-M170 HydrophobicContact CD1-CG 3.86Å; F166-M170 HydrophobicContact CD2-CG 3.8Å; F166-M170 HydrophobicContact CD2-SD 4.21Å; F166-M170 HydrophobicContact CE1-CG 3.48Å; F166-M170 VanDerWaalsContact CE1-CG 3.48Å; F166-M170 HydrophobicContact CE1-SD 4.29Å; F166-M170 HydrophobicContact CE2-CG 3.38Å; F166-M170 HydrophobicContact CE2-SD 3.37Å; F166-M170 WeakPolarHBondContact CE2-SD 3.45Å; F166-M170 HydrophobicContact CG-CG 4.03Å; F166-M170 HydrophobicContact CZ-CE 4.12Å; F166-M170 HydrophobicContact CZ-CG 3.24Å; F166-M170 HydrophobicContact CZ-SD 3.45Å; F166-M170 WeakPolarHBondContact CZ-SD 3.38Å; F166-M170 WeakPolarHBondContact O-CB 3.32Å; F166-M170 VanDerWaalsContact O-CG 3.24Å; F166-M170 WeakPolarHBondContact O-CG 2.94Å; F166-M170 PolarHBondContact O-N 2.76Å; A168-M170 VanDerWaalsContact C-N 3.34Å; A168-M170 PolarHBondContact O-N 3.29Å
171	H	77.6	Confident	84.7	Confident	105 Å²	105	44.2 Å²	44.2	49%	0.486	24%	0.237	S	C	.	.	H	α-helix	trans	-75.1	-32.9	-172.1	-69.9	83.2	0	0	0	112.2	F62 D167	F62-H171 WeakPolarHBondContact CA-O 3.47Å; F62-H171 HydrophobicContact CD1-CB 4.41Å; D167-H171 PolarHBondContact O-N 3.11Å; D167-H171 PolarHBondContact O-ND1 3.49Å
172	L	79.8	Confident	85.1	Confident	42 Å²	42	49.1 Å²	49.1	22%	0.22	24%	0.244	C	C	.	.	H	α-helix	trans	-97.5	0.4	-178.2	-59.4	177.6	0	0	0	113.1	L61 F62 F98 A168 C174 P176	L61-L172 HydrophobicContact CD1-CD2 4.36Å; L61-L172 HydrophobicContact CG-CD2 4.13Å; F62-L172 HydrophobicContact CD1-CD2 4.2Å; F62-L172 HydrophobicContact CE1-CD2 3.78Å; F62-L172 HydrophobicContact CZ-CD2 4.45Å; F98-L172 HydrophobicContact CE1-CB 4.49Å; F98-L172 HydrophobicContact CE1-CD1 4.35Å; F98-L172 HydrophobicContact CE1-CD2 4.42Å; F98-L172 HydrophobicContact CE2-CB 3.84Å; F98-L172 HydrophobicContact CE2-CD1 4.47Å; F98-L172 HydrophobicContact CZ-CB 3.63Å; F98-L172 HydrophobicContact CZ-CD1 4.2Å; F98-L172 HydrophobicContact CZ-CD2 4.26Å; F98-L172 HydrophobicContact CZ-CG 4.25Å; A168-L172 VanDerWaalsContact O-CB 3.25Å; A168-L172 WeakPolarHBondContact O-CB 3.34Å; A168-L172 WeakPolarHBondContact O-CG 3.16Å; A168-L172 PolarHBondContact O-N 3.07Å; L172-C174 PolarHBondContact O-N 3.39Å; L172-P176 WeakPolarHBondContact O-CD 3.15Å
173	G	83.6	Confident	85.5	Confident	3 Å²	3	54 Å²	54	3%	0.031	27%	0.267	C	S	.	.			trans	-82.8	-7.4	-171.3	0	0	0	0	0	115.3	V169 P176 F177	V169-G173 WeakPolarHBondContact O-CA 3.22Å; V169-G173 PolarHBondContact O-N 3.26Å; G173-P176 WeakPolarHBondContact O-CD 3.47Å; G173-P176 WeakPolarHBondContact O-CG 3.07Å; G173-F177 WeakPolarHBondContact O-CB 3.37Å; G173-F177 PolarHBondContact O-N 3.29Å
174	C	86.2	Confident	85.9	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.014	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-53.6	-172.5	-162.1	0	0	0	0	112.5	G64 C69 L172 F177 L178	G64-C174 PolarHBondContact N-SG 3.42Å; C69-C174 HydrophobicContact CB-CB 4.05Å; C69-C174 WeakPolarHBondContact CB-SG 3.43Å; C69-C174 VanDerWaalsContact SG-CA 3.53Å; C69-C174 WeakPolarHBondContact SG-CB 3.43Å; C69-C174 CovalentContact SG-SG 2.02Å; C69-C174 PolarHBondContact SG-SG 3.39Å; L172-C174 PolarHBondContact O-N 3.39Å; C174-F177 PolarHBondContact O-N 3.33Å; C174-L178 WeakPolarHBondContact O-CG 3.41Å; C174-L178 PolarHBondContact O-N 3.1Å
175	K	85.2	Confident	86.4	Confident	87 Å²	87	42 Å²	42	38%	0.378	21%	0.209	S	C	.	.	H	α-helix	trans	-59.5	-53.4	178	175.8	157.7	173.5	53.5	0	113.1	L97 F177 L178 D179	L97-K175 HydrophobicContact CD1-CD 4.06Å; L97-K175 VanDerWaalsContact CD1-CE 3.45Å; L97-K175 HydrophobicContact CD1-CG 4.36Å; L97-K175 HydrophobicContact CD2-CB 4.3Å; L97-K175 HydrophobicContact CD2-CD 3.74Å; L97-K175 HydrophobicContact CD2-CG 3.99Å; K175-F177 VanDerWaalsContact C-N 3.28Å; K175-F177 PolarHBondContact O-N 2.89Å; K175-L178 PolarHBondContact O-N 2.9Å; K175-D179 WeakPolarHBondContact CG-OD2 3.06Å; K175-D179 IonicContact NZ-OD1 2.57Å; K175-D179 PolarHBondContact NZ-OD1 2.91Å; K175-D179 IonicContact NZ-OD2 3.47Å; K175-D179 PolarHBondContact NZ-OD2 3.46Å; K175-D179 WeakPolarHBondContact O-CB 3.15Å; K175-D179 VanDerWaalsContact O-CG 3.3Å; K175-D179 PolarHBondContact O-N 2.68Å
176	P	86.9	Confident	86.9	Confident	34 Å²	34	41.3 Å²	41.3	22%	0.221	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-37.2	178.5	21.7	-31.9	0	0	0	112.2	L172 G173 D179 S180	L172-P176 WeakPolarHBondContact O-CD 3.15Å; G173-P176 WeakPolarHBondContact O-CD 3.47Å; G173-P176 WeakPolarHBondContact O-CG 3.07Å; P176-D179 PolarHBondContact O-N 2.91Å; P176-S180 WeakPolarHBondContact O-CB 3.39Å; P176-S180 PolarHBondContact O-N 3.23Å; P176-S180 PolarHBondContact O-OG 3.37Å
177	F	90.5	Very high	87.3	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-51.4	172.8	175.2	-101.3	0	0	0	112.1	C69 Y120 H125 K127 G173 C174 K175 D179 S180 Q181	C69-F177 HydrophobicContact CB-CD1 4.38Å; C69-F177 WeakPolarHBondContact O-CD1 3.45Å; C69-F177 WeakPolarHBondContact O-CE1 3.4Å; Y120-F177 AromaticContact CD1-CD2 3.52Å; Y120-F177 HydrophobicContact CD1-CD2 3.52Å; Y120-F177 HydrophobicContact CD1-CE2 4.24Å; Y120-F177 HydrophobicContact CD1-CG 4.49Å; Y120-F177 HydrophobicContact CD2-CB 3.86Å; Y120-F177 HydrophobicContact CD2-CD2 4.18Å; Y120-F177 HydrophobicContact CE1-CB 4.32Å; Y120-F177 AromaticContact CE1-CD2 3.72Å; Y120-F177 HydrophobicContact CE1-CD2 3.72Å; Y120-F177 HydrophobicContact CE1-CG 4.4Å; Y120-F177 HydrophobicContact CE2-CB 3.64Å; Y120-F177 HydrophobicContact CE2-CD2 4.38Å; Y120-F177 HydrophobicContact CG-CB 4.3Å; Y120-F177 AromaticContact CG-CD2 3.74Å; Y120-F177 HydrophobicContact CG-CD2 3.74Å; H125-F177 WeakPolarHBondContact O-CZ 3.28Å; K127-F177 HydrophobicContact CB-CD1 3.86Å; K127-F177 HydrophobicContact CB-CD2 3.92Å; K127-F177 HydrophobicContact CB-CE1 3.93Å; K127-F177 HydrophobicContact CB-CE2 3.97Å; K127-F177 HydrophobicContact CB-CG 3.85Å; K127-F177 HydrophobicContact CB-CZ 3.98Å; K127-F177 HydrophobicContact CD-CB 4.32Å; K127-F177 HydrophobicContact CD-CG 4.36Å; K127-F177 HydrophobicContact CG-CB 4.06Å; K127-F177 HydrophobicContact CG-CD1 4.17Å; K127-F177 HydrophobicContact CG-CD2 3.98Å; K127-F177 HydrophobicContact CG-CG 3.77Å; G173-F177 WeakPolarHBondContact O-CB 3.37Å; G173-F177 PolarHBondContact O-N 3.29Å; C174-F177 PolarHBondContact O-N 3.33Å; K175-F177 VanDerWaalsContact C-N 3.28Å; K175-F177 PolarHBondContact O-N 2.89Å; F177-D179 VanDerWaalsContact C-N 3.31Å; F177-D179 PolarHBondContact O-N 3.09Å; F177-S180 PolarHBondContact O-N 3.03Å; F177-Q181 HydrophobicContact CD1-CG 4.22Å; F177-Q181 HydrophobicContact CD2-CG 4.24Å; F177-Q181 HydrophobicContact CE1-CG 3.73Å; F177-Q181 HydrophobicContact CE2-CG 3.79Å; F177-Q181 VanDerWaalsContact CE2-OE1 3.25Å; F177-Q181 HydrophobicContact CG-CG 4.46Å; F177-Q181 HydrophobicContact CZ-CG 3.51Å; F177-Q181 WeakPolarHBondContact O-CB 3.04Å; F177-Q181 VanDerWaalsContact O-CG 3.25Å; F177-Q181 WeakPolarHBondContact O-CG 3Å; F177-Q181 PolarHBondContact O-N 3.38Å
178	L	90	Very high	87.2	Confident	50 Å²	50	41.6 Å²	41.6	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-65.5	-34.4	-179	-69.3	175	0	0	0	112.7	Y71 C174 K175 R182	Y71-L178 HydrophobicContact CD2-CD2 4.46Å; C174-L178 WeakPolarHBondContact O-CG 3.41Å; C174-L178 PolarHBondContact O-N 3.1Å; K175-L178 PolarHBondContact O-N 2.9Å; L178-R182 WeakPolarHBondContact O-CB 3Å; L178-R182 PolarHBondContact O-N 2.03Å
179	D	89.8	Confident	86.8	Confident	51 Å²	51	45.4 Å²	45.4	27%	0.273	22%	0.215	S	C	.	.	H	α-helix	trans	-67.9	-48.6	175.8	-69.6	-21.6	0	0	0	110.4	K175 P176 F177 Q181 R182 E183	K175-D179 WeakPolarHBondContact CG-OD2 3.06Å; K175-D179 IonicContact NZ-OD1 2.57Å; K175-D179 PolarHBondContact NZ-OD1 2.91Å; K175-D179 IonicContact NZ-OD2 3.47Å; K175-D179 PolarHBondContact NZ-OD2 3.46Å; K175-D179 WeakPolarHBondContact O-CB 3.15Å; K175-D179 VanDerWaalsContact O-CG 3.3Å; K175-D179 PolarHBondContact O-N 2.68Å; P176-D179 PolarHBondContact O-N 2.91Å; F177-D179 VanDerWaalsContact C-N 3.31Å; F177-D179 PolarHBondContact O-N 3.09Å; D179-Q181 VanDerWaalsContact C-N 3.34Å; D179-Q181 PolarHBondContact O-N 2.03Å; D179-R182 WeakPolarHBondContact O-CB 3.46Å; D179-R182 PolarHBondContact O-N 3.37Å; D179-R182 VanDerWaalsContact O-N 3.09Å; D179-E183 PolarHBondContact O-N 3.33Å; D179-E183 VanDerWaalsContact O-N 3.1Å
180	S	92.4	Very high	86.3	Confident	24 Å²	24	46 Å²	46	17%	0.168	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-46	171.9	-78.6	0	0	0	0	112.5	Y120 D121 P176 F177 R182 E183 A184	Y120-S180 WeakPolarHBondContact O-CB 3.13Å; D121-S180 WeakPolarHBondContact OD1-CB 3.3Å; D121-S180 PolarHBondContact OD1-OG 3.04Å; P176-S180 WeakPolarHBondContact O-CB 3.39Å; P176-S180 PolarHBondContact O-N 3.23Å; P176-S180 PolarHBondContact O-OG 3.37Å; F177-S180 PolarHBondContact O-N 3.03Å; S180-R182 VanDerWaalsContact C-N 3.3Å; S180-R182 PolarHBondContact O-N 2.83Å; S180-E183 PolarHBondContact O-N 3.47Å; S180-A184 WeakPolarHBondContact O-CB 3.34Å; S180-A184 PolarHBondContact O-N 3.36Å
181	Q	94.3	Very high	85.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-35.7	177.5	-70.5	-62.8	162.6	0	0	112.5	Y71 Y120 S122 F177 D179 E183 C185	Y71-Q181 HydrophobicContact CD1-CB 3.95Å; Y71-Q181 HydrophobicContact CD2-CB 3.77Å; Y71-Q181 HydrophobicContact CE2-CB 4.45Å; Y71-Q181 HydrophobicContact CG-CB 3.48Å; Y71-Q181 VanDerWaalsContact CG-CB 3.48Å; Y71-Q181 HydrophobicContact CG-CG 4.29Å; Y120-Q181 PolarHBondContact O-OE1 3.38Å; S122-Q181 PolarHBondContact O-OE1 3.47Å; F177-Q181 HydrophobicContact CD1-CG 4.22Å; F177-Q181 HydrophobicContact CD2-CG 4.24Å; F177-Q181 HydrophobicContact CE1-CG 3.73Å; F177-Q181 HydrophobicContact CE2-CG 3.79Å; F177-Q181 VanDerWaalsContact CE2-OE1 3.25Å; F177-Q181 HydrophobicContact CG-CG 4.46Å; F177-Q181 HydrophobicContact CZ-CG 3.51Å; F177-Q181 WeakPolarHBondContact O-CB 3.04Å; F177-Q181 VanDerWaalsContact O-CG 3.25Å; F177-Q181 WeakPolarHBondContact O-CG 3Å; F177-Q181 PolarHBondContact O-N 3.38Å; D179-Q181 VanDerWaalsContact C-N 3.34Å; D179-Q181 PolarHBondContact O-N 2.03Å; Q181-E183 VanDerWaalsContact C-N 3.34Å; Q181-C185 PolarHBondContact NE2-SG 3.17Å; Q181-C185 VanDerWaalsContact NE2-SG 3.39Å; Q181-C185 WeakPolarHBondContact O-CB 3.47Å; Q181-C185 PolarHBondContact O-N 2.82Å; Q181-C185 PolarHBondContact O-SG 3.32Å; Q181-C185 VanDerWaalsContact O-SG 3.39Å
182	R	91.8	Very high	84.6	Confident	154 Å²	154	48.6 Å²	48.6	58%	0.581	23%	0.228	S	C	*	.	H	α-helix	trans	-67	-35.5	177	-176.7	-173.2	-63.4	-95.1	-0.4	112.1	Y71 R82 L178 D179 S180	Y71-R182 HydrophobicContact CE2-CB 3.94Å; R82-R182 PolarHBondContact NH2-O 2.99Å; L178-R182 WeakPolarHBondContact O-CB 3Å; L178-R182 PolarHBondContact O-N 2.03Å; D179-R182 WeakPolarHBondContact O-CB 3.46Å; D179-R182 PolarHBondContact O-N 3.37Å; D179-R182 VanDerWaalsContact O-N 3.09Å; S180-R182 VanDerWaalsContact C-N 3.3Å; S180-R182 PolarHBondContact O-N 2.83Å
183	E	92.6	Very high	83.6	Confident	113 Å²	113	55.4 Å²	55.4	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-73.9	-45.3	175.8	-66.2	-171.9	177.8	0	0	111.6	R82 Y85 D179 S180 Q181	R82-E183 VanDerWaalsContact CD-O 3.27Å; R82-E183 WeakPolarHBondContact CD-O 3.33Å; R82-E183 PolarHBondContact NE-O 2.82Å; Y85-E183 HydrophobicContact CE2-CB 3.97Å; D179-E183 PolarHBondContact O-N 3.33Å; D179-E183 VanDerWaalsContact O-N 3.1Å; S180-E183 PolarHBondContact O-N 3.47Å; Q181-E183 VanDerWaalsContact C-N 3.34Å
184	A	94.6	Very high	82.3	Confident	2 Å²	2	62.6 Å²	62.6	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-76.1	-24.2	-175.9	0	0	0	0	0	114.2	R82 Y85 D121 C123 S180	R82-A184 WeakPolarHBondContact CB-O 3.27Å; R82-A184 PolarHBondContact N-O 3.23Å; Y85-A184 HydrophobicContact CD1-CB 4.07Å; Y85-A184 HydrophobicContact CE1-CB 3.67Å; Y85-A184 HydrophobicContact CE2-CB 4.47Å; D121-A184 WeakPolarHBondContact O-CB 3.25Å; C123-A184 HydrophobicContact CB-CB 4.25Å; S180-A184 WeakPolarHBondContact O-CB 3.34Å; S180-A184 PolarHBondContact O-N 3.36Å
185	C	93.9	Very high	80.6	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	160.8	-178.6	-61.7	0	0	0	0	113.4	Y71 P79 T80 R82 C123 Q181	Y71-C185 HydrophobicContact CD1-CB 4.29Å; Y71-C185 HydrophobicContact CE1-CB 3.64Å; P79-C185 HydrophobicContact CB-CB 3.85Å; T80-C185 CarbonylContact O-C 3.52Å; T80-C185 WeakPolarHBondContact O-CA 3.34Å; R82-C185 PolarHBondContact NH2-O 3.42Å; C123-C185 WeakPolarHBondContact CA-SG 3.29Å; C123-C185 HydrophobicContact CB-CB 4.15Å; C123-C185 WeakPolarHBondContact CB-SG 3.41Å; C123-C185 WeakPolarHBondContact SG-CA 3.07Å; C123-C185 WeakPolarHBondContact SG-CB 3.28Å; C123-C185 CovalentContact SG-SG 2.03Å; C123-C185 PolarHBondContact SG-SG 2.7Å; Q181-C185 PolarHBondContact NE2-SG 3.17Å; Q181-C185 VanDerWaalsContact NE2-SG 3.39Å; Q181-C185 WeakPolarHBondContact O-CB 3.47Å; Q181-C185 PolarHBondContact O-N 2.82Å; Q181-C185 PolarHBondContact O-SG 3.32Å; Q181-C185 VanDerWaalsContact O-SG 3.39Å
186	V	92.9	Very high	80.4	Confident	4 Å²	4	71.1 Å²	71.1	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.1	164.7	-57.8	0	0	0	0	109.9	T80 R82 V191	T80-V186 PolarHBondContact N-O 3.25Å; T80-V186 PolarHBondContact O-N 2.9Å; T80-V186 VanDerWaalsContact OG1-CG2 3.3Å; T80-V186 WeakPolarHBondContact OG1-CG2 3.42Å; T80-V186 PolarHBondContact OG1-O 3.11Å; R82-V186 HydrophobicContact CB-CG1 3.69Å; R82-V186 HydrophobicContact CG-CG1 3.72Å; V186-V191 HydrophobicContact CB-CG2 3.98Å; V186-V191 HydrophobicContact CG2-CG2 3.4Å; V186-V191 VanDerWaalsContact CG2-CG2 3.4Å
187	C	89.7	Confident	80	Confident	4 Å²	4	73 Å²	73	3%	0.027	34%	0.34	C	S	.	.			trans	-98.5	150.5	170	-63.6	0	0	0	0	110.7	C73 Y189 E190 V191	C73-C187 WeakPolarHBondContact CA-SG 3.46Å; C73-C187 HydrophobicContact CB-CB 3.65Å; C73-C187 WeakPolarHBondContact CB-SG 3.07Å; C73-C187 WeakPolarHBondContact SG-CA 3.43Å; C73-C187 WeakPolarHBondContact SG-CB 3.34Å; C73-C187 CovalentContact SG-SG 2.03Å; C73-C187 PolarHBondContact SG-SG 3.43Å; C187-Y189 HydrophobicContact CB-CD1 3.73Å; C187-Y189 HydrophobicContact CB-CE1 3.58Å; C187-Y189 PolarHBondContact O-N 3.41Å; C187-Y189 VanDerWaalsContact O-N 3.16Å; C187-E190 HydrophobicContact CB-CG 4.35Å; C187-E190 PolarHBondContact N-OE2 3.16Å; C187-E190 WeakPolarHBondContact O-CB 3.37Å; C187-E190 PolarHBondContact O-N 2.93Å; C187-V191 PolarHBondContact O-N 3.46Å
188	Q	79.4	Confident	79.4	Confident	78 Å²	78	77 Å²	77	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-58.2	-35.9	-170.8	-71	-167.3	17.3	0	0	113.5	F77 E190 V191 K192	F77-Q188 HydrophobicContact CB-CG 4.14Å; F77-Q188 HydrophobicContact CG-CG 4.26Å; Q188-E190 VanDerWaalsContact C-N 3.26Å; Q188-E190 PolarHBondContact O-N 3.23Å; Q188-V191 PolarHBondContact O-N 3.28Å; Q188-K192 PolarHBondContact O-N 3.32Å
189	Y	72.3	Confident	78.8	Confident	112 Å²	112	78.6 Å²	78.6	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-66.5	-27.5	177.5	82.9	-87.6	0	0	0	113.2	C187	C187-Y189 HydrophobicContact CB-CD1 3.73Å; C187-Y189 HydrophobicContact CB-CE1 3.58Å; C187-Y189 PolarHBondContact O-N 3.41Å; C187-Y189 VanDerWaalsContact O-N 3.16Å
190	E	67.3	Low	78.1	Confident	48 Å²	48	80.3 Å²	80.3	22%	0.224	37%	0.37	C	S	.	.	H	α-helix	trans	-74.4	-42	178.1	-60	176	170.4	0	0	110.1	C187 Q188 K192 K193 E194	C187-E190 HydrophobicContact CB-CG 4.35Å; C187-E190 PolarHBondContact N-OE2 3.16Å; C187-E190 WeakPolarHBondContact O-CB 3.37Å; C187-E190 PolarHBondContact O-N 2.93Å; Q188-E190 VanDerWaalsContact C-N 3.26Å; Q188-E190 PolarHBondContact O-N 3.23Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 3.35Å; E190-K193 WeakPolarHBondContact O-CB 3.49Å; E190-K193 PolarHBondContact O-N 3.25Å; E190-K193 VanDerWaalsContact O-N 3.08Å; E190-E194 PolarHBondContact O-N 3.4Å
191	V	62.8	Low	77.2	Confident	51 Å²	51	84.1 Å²	84.1	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-61	-41.4	176.7	-178.8	0	0	0	0	111.4	V186 C187 Q188 K193 E194 L195	V186-V191 HydrophobicContact CB-CG2 3.98Å; V186-V191 HydrophobicContact CG2-CG2 3.4Å; V186-V191 VanDerWaalsContact CG2-CG2 3.4Å; C187-V191 PolarHBondContact O-N 3.46Å; Q188-V191 PolarHBondContact O-N 3.28Å; V191-K193 PolarHBondContact O-N 3.08Å; V191-E194 PolarHBondContact O-N 3.42Å; V191-L195 HydrophobicContact CG1-CD1 3.88Å; V191-L195 PolarHBondContact O-N 3.32Å
192	K	60.5	Low	75.9	Confident	160 Å²	160	90 Å²	90	70%	0.696	41%	0.411	S	S	*	.	H	α-helix	trans	-67.8	-15.6	177.3	-74.8	-176.4	179.7	177.1	0	114.4	Q188 E190	Q188-K192 PolarHBondContact O-N 3.32Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 3.35Å
193	K	59.7	Low	74.7	Confident	185 Å²	185	85.1 Å²	85.1	80%	0.804	40%	0.398	S	S	*	.	H	α-helix	trans	-93	-19.5	179.9	-159.6	179.8	179.3	-175.1	0	112.2	E190 V191	E190-K193 WeakPolarHBondContact O-CB 3.49Å; E190-K193 PolarHBondContact O-N 3.25Å; E190-K193 VanDerWaalsContact O-N 3.08Å; V191-K193 PolarHBondContact O-N 3.08Å
194	E	55	Low	73.2	Confident	153 Å²	153	82.8 Å²	82.8	72%	0.715	39%	0.387	S	S	*	.	H	α-helix	trans	-95.9	-5.9	178.1	-65.7	-175.7	171.9	0	0	113.3	E190 V191	E190-E194 PolarHBondContact O-N 3.4Å; V191-E194 PolarHBondContact O-N 3.42Å
195	L	50.9	Low	71.3	Confident	196 Å²	196	90.1 Å²	90.1	100%	1.026	42%	0.421	S	S	*	.			trans	-102.6	0	173.4	-89.9	146.8	0	0	0	110.8	V191	V191-L195 HydrophobicContact CG1-CD1 3.88Å; V191-L195 PolarHBondContact O-N 3.32Å

Retrieved 195 of 195 residues in 422.7 ms (Link to these results)

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