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Group XIIB secretory phospholipase A2-like protein

Not known; does not seem to have catalytic activity.

AlphaFold DB , UniProt , Accession Q99P27, Species MOUSE (Mus musculus, Mouse), Gene Pla2g12b, Length 195 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46	Very low	51.6	Low	245 Å²	245	163.7 Å²	163.7	100%	1.207	81%	0.813	S	S	*	*				0	76.4	0	-64.3	165.7	-179.7	0	0	108.8
2	K	50.6	Low	51.7	Low	203 Å²	203	162.7 Å²	162.7	88%	0.883	81%	0.811	S	S	*	*			trans	-139.7	15.7	-170.9	-78.7	-175	171.9	179.1	0	113.3
3	L	50.8	Low	51.6	Low	162 Å²	162	154.5 Å²	154.5	85%	0.848	79%	0.794	S	S	*	*	S	Bend	trans	-105	1.9	-167.5	-87.4	144.1	0	0	0	115.5
4	L	53.3	Low	51.3	Low	165 Å²	165	155.4 Å²	155.4	86%	0.864	80%	0.799	S	S	*	*	S	Bend	trans	-112	-0.5	-178.5	-76.7	165.1	0	0	0	115.5
5	C	53.1	Low	51.4	Low	113 Å²	113	154.3 Å²	154.3	76%	0.764	80%	0.802	S	S	*	*	S	Bend	trans	-91.9	-9.8	172.8	-88.6	0	0	0	0	114.2
6	G	47.6	Very low	50.8	Low	47 Å²	47	148.1 Å²	148.1	49%	0.485	79%	0.788	S	S	.	*	S	Bend	trans	-78.9	-24.3	-175.2	0	0	0	0	0	115.2
7	F	52.8	Low	49.8	Very low	173 Å²	173	148.5 Å²	148.5	76%	0.759	79%	0.79	S	S	*	*	S	Bend	trans	-84.2	-23.8	-172.2	-90.3	-84.3	0	0	0	114.4
8	F	53.2	Low	49.1	Very low	184 Å²	184	150.3 Å²	150.3	81%	0.807	80%	0.799	S	S	*	*	S	Bend	trans	-77.5	-20.7	-177.7	-114.2	-87.7	0	0	0	114.1
9	L	56.1	Low	48.4	Very low	139 Å²	139	146.6 Å²	146.6	73%	0.728	79%	0.792	S	S	*	*	S	Bend	trans	-86	-15.6	180	-73.1	168	0	0	0	113.7
10	L	52.5	Low	47.7	Very low	136 Å²	136	148 Å²	148	71%	0.712	79%	0.793	S	S	*	*	S	Bend	trans	-85.8	-9.2	-177.2	-104	136.5	0	0	0	114.5
11	W	51.8	Low	47.1	Very low	234 Å²	234	146.8 Å²	146.8	89%	0.886	80%	0.796	S	S	*	*	S	Bend	trans	-89.2	-21	175.1	-88.1	24.5	0	0	0	114.3	G13	W11-G13 VanDerWaalsContact C-N 3.3Å; W11-G13 PolarHBondContact O-N 3.46Å
12	L	52.2	Low	46.8	Very low	151 Å²	151	141.8 Å²	141.8	79%	0.791	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-7.7	177.9	-80	152.6	0	0	0	113.6
13	G	50.4	Low	46.6	Very low	57 Å²	57	137.6 Å²	137.6	59%	0.588	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-16	-175.4	0	0	0	0	0	116.3	W11	W11-G13 VanDerWaalsContact C-N 3.3Å; W11-G13 PolarHBondContact O-N 3.46Å
14	L	47.2	Very low	45.6	Very low	166 Å²	166	135.4 Å²	135.4	87%	0.869	77%	0.766	S	S	*	*	S	Bend	trans	-102.8	5	-168.1	-132.1	90.5	0	0	0	116.2
15	V	53.3	Low	45	Very low	139 Å²	139	133.2 Å²	133.2	84%	0.842	76%	0.761	S	S	*	*	S	Bend	trans	-104.1	-8.1	175.3	-176	0	0	0	0	112.2	N17	V15-N17 PolarHBondContact O-N 3.48Å
16	G	41.5	Very low	43.8	Very low	56 Å²	56	136.7 Å²	136.7	58%	0.577	76%	0.764	S	S	*	*	S	Bend	trans	-99	75.1	177.6	0	0	0	0	0	112.2
17	N	35	Very low	43.3	Very low	154 Å²	154	143.1 Å²	143.1	82%	0.824	78%	0.781	S	S	*	*			trans	179.5	87.2	152.1	-98.6	-56.7	0	0	0	110.5	V15	V15-N17 PolarHBondContact O-N 3.48Å
18	L	36.3	Very low	42.6	Very low	181 Å²	181	143.7 Å²	143.7	95%	0.948	79%	0.786	S	S	*	*			trans	-148.8	76.5	145.1	-106.6	163	0	0	0	106.3
19	A	35.9	Very low	42	Very low	80 Å²	80	144 Å²	144	66%	0.661	79%	0.79	S	S	*	*			trans	-85.6	137.7	165.9	0	0	0	0	0	109
20	Q	33.8	Very low	41.4	Very low	174 Å²	174	142 Å²	142	81%	0.813	79%	0.788	S	S	*	*			trans	95.2	101.5	142	-143.3	156.2	16.3	0	0	118.8
21	S	35.7	Very low	40.9	Very low	123 Å²	123	143.7 Å²	143.7	86%	0.86	79%	0.786	S	S	*	*			trans	-146.5	130.5	138.7	61	0	0	0	0	109.3
22	D	39.7	Very low	40.8	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	77%	0.77	S	S	*	*			trans	-80.2	-176.9	-162	-114.3	-28.5	0	0	0	114.7
23	P	46.1	Very low	40.8	Very low	115 Å²	115	133.2 Å²	133.2	75%	0.747	75%	0.754	S	S	*	*			trans	-106.8	163.3	-131.4	41	-31.9	0	0	0	115.2
24	S	31	Very low	40.8	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	75%	0.748	S	S	*	*			trans	-141.2	119.8	156.5	-171.5	0	0	0	0	109.6
25	P	40.3	Very low	41.1	Very low	119 Å²	119	129.1 Å²	129.1	77%	0.773	72%	0.716	S	S	*	*			trans	-95.1	109.5	-171.1	33.3	-28	0	0	0	110.7
26	K	28.5	Very low	41.3	Very low	187 Å²	187	128.3 Å²	128.3	81%	0.813	71%	0.706	S	S	*	*			trans	-148.1	117.6	156.8	-69	-166.4	177.7	165.1	0	110.1
27	E	36.7	Very low	42	Very low	182 Å²	182	134 Å²	134	85%	0.85	71%	0.71	S	S	*	*			trans	71.6	61.5	153.4	-60.5	171.4	-175	0	0	116.8	E29	E27-E29 VanDerWaalsContact C-N 3.28Å; E27-E29 PolarHBondContact O-N 3.49Å
28	E	37.3	Very low	43	Very low	184 Å²	184	132.5 Å²	132.5	86%	0.86	70%	0.698	S	S	*	*			trans	-82.7	8.2	167.7	-106.4	-174.9	169	0	0	114.3	S30	E28-S30 VanDerWaalsContact C-N 3.31Å; E28-S30 PolarHBondContact O-N 3.27Å
29	E	40.2	Very low	43.8	Very low	190 Å²	190	129 Å²	129	89%	0.888	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	13.3	-172.7	-145	-173.1	177.9	0	0	115.3	E27	E27-E29 VanDerWaalsContact C-N 3.28Å; E27-E29 PolarHBondContact O-N 3.49Å
30	S	44.5	Very low	44.8	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	-12.7	177.9	-169.9	0	0	0	0	114.3	E28	E28-S30 VanDerWaalsContact C-N 3.31Å; E28-S30 PolarHBondContact O-N 3.27Å
31	Y	41	Very low	45.6	Very low	171 Å²	171	128.2 Å²	128.2	67%	0.671	67%	0.665	S	S	*	*	H	α-helix	trans	-93.6	-11.1	-175	-149	-103.3	0	0	0	114.3	W34	Y31-W34 VanDerWaalsContact CA-CD1 3.41Å; Y31-W34 AromaticContact CD1-CE2 3.95Å; Y31-W34 AromaticContact CD1-CZ2 3.96Å; Y31-W34 HydrophobicContact CD1-CZ2 3.96Å; Y31-W34 AromaticContact CD1-NE1 3.33Å; Y31-W34 VanDerWaalsContact CD1-NE1 3.33Å; Y31-W34 AromaticContact CD2-CD1 3.84Å; Y31-W34 AromaticContact CD2-CE2 3.86Å; Y31-W34 HydrophobicContact CD2-CZ2 4.33Å; Y31-W34 AromaticContact CD2-NE1 3.05Å; Y31-W34 AromaticContact CE1-CE2 3.71Å; Y31-W34 HydrophobicContact CE1-CH2 4.44Å; Y31-W34 AromaticContact CE1-CZ2 3.28Å; Y31-W34 HydrophobicContact CE1-CZ2 3.28Å; Y31-W34 AromaticContact CE1-NE1 3.56Å; Y31-W34 AromaticContact CE2-CE2 3.57Å; Y31-W34 AromaticContact CE2-CZ2 3.68Å; Y31-W34 HydrophobicContact CE2-CZ2 3.68Å; Y31-W34 AromaticContact CE2-NE1 3.26Å; Y31-W34 VanDerWaalsContact CE2-NE1 3.26Å; Y31-W34 AromaticContact CG-CD1 3.95Å; Y31-W34 HydrophobicContact CG-CZ2 4.46Å; Y31-W34 AromaticContact CG-NE1 3.08Å; Y31-W34 AromaticContact CZ-CE2 3.49Å; Y31-W34 VanDerWaalsContact CZ-CE2 3.49Å; Y31-W34 AromaticContact CZ-CZ2 3.09Å; Y31-W34 AromaticContact CZ-NE1 3.52Å; Y31-W34 PolarHBondContact O-NE1 3.5Å; Y31-W34 WeakPolarHBondContact OH-CZ2 3.16Å
32	S	49.6	Very low	46.4	Very low	79 Å²	79	124.9 Å²	124.9	55%	0.552	64%	0.642	S	S	*	*	H	α-helix	trans	-88.6	-31.2	179.4	55	0	0	0	0	113.5	L36	S32-L36 PolarHBondContact O-N 3.02Å
33	D	52.6	Low	47.1	Very low	86 Å²	86	126 Å²	126	46%	0.46	64%	0.64	S	S	.	*	H	α-helix	trans	-73.8	-37.1	-177.9	-170.7	57.4	0	0	0	113	G35 L36 R37	D33-G35 VanDerWaalsContact C-N 3.31Å; D33-G35 PolarHBondContact O-N 2.99Å; D33-L36 PolarHBondContact O-N 3.42Å; D33-R37 WeakPolarHBondContact O-CG 3.44Å; D33-R37 PolarHBondContact O-N 3.09Å; D33-R37 VanDerWaalsContact O-N 3.13Å; D33-R37 IonicContact OD1-NE 2.97Å; D33-R37 IonicContact OD2-CZ 2.75Å; D33-R37 IonicContact OD2-NE 2.65Å; D33-R37 PolarHBondContact OD2-NE 2.7Å; D33-R37 IonicContact OD2-NH2 3.93Å
34	W	51.3	Low	47.3	Very low	118 Å²	118	127.9 Å²	127.9	45%	0.447	64%	0.639	S	S	.	*	H	α-helix	trans	-67.8	-33.8	176.5	79.3	-82.8	0	0	0	111.5	Y31 R37 Q38	Y31-W34 VanDerWaalsContact CA-CD1 3.41Å; Y31-W34 AromaticContact CD1-CE2 3.95Å; Y31-W34 AromaticContact CD1-CZ2 3.96Å; Y31-W34 HydrophobicContact CD1-CZ2 3.96Å; Y31-W34 AromaticContact CD1-NE1 3.33Å; Y31-W34 VanDerWaalsContact CD1-NE1 3.33Å; Y31-W34 AromaticContact CD2-CD1 3.84Å; Y31-W34 AromaticContact CD2-CE2 3.86Å; Y31-W34 HydrophobicContact CD2-CZ2 4.33Å; Y31-W34 AromaticContact CD2-NE1 3.05Å; Y31-W34 AromaticContact CE1-CE2 3.71Å; Y31-W34 HydrophobicContact CE1-CH2 4.44Å; Y31-W34 AromaticContact CE1-CZ2 3.28Å; Y31-W34 HydrophobicContact CE1-CZ2 3.28Å; Y31-W34 AromaticContact CE1-NE1 3.56Å; Y31-W34 AromaticContact CE2-CE2 3.57Å; Y31-W34 AromaticContact CE2-CZ2 3.68Å; Y31-W34 HydrophobicContact CE2-CZ2 3.68Å; Y31-W34 AromaticContact CE2-NE1 3.26Å; Y31-W34 VanDerWaalsContact CE2-NE1 3.26Å; Y31-W34 AromaticContact CG-CD1 3.95Å; Y31-W34 HydrophobicContact CG-CZ2 4.46Å; Y31-W34 AromaticContact CG-NE1 3.08Å; Y31-W34 AromaticContact CZ-CE2 3.49Å; Y31-W34 VanDerWaalsContact CZ-CE2 3.49Å; Y31-W34 AromaticContact CZ-CZ2 3.09Å; Y31-W34 AromaticContact CZ-NE1 3.52Å; Y31-W34 PolarHBondContact O-NE1 3.5Å; Y31-W34 WeakPolarHBondContact OH-CZ2 3.16Å; W34-R37 PolarHBondContact O-N 2.92Å; W34-Q38 WeakPolarHBondContact O-CB 3.27Å; W34-Q38 PolarHBondContact O-N 3Å
35	G	52.3	Low	48.3	Very low	20 Å²	20	125.6 Å²	125.6	21%	0.206	62%	0.623	C	S	.	*	H	α-helix	trans	-64.9	-42.9	177.3	0	0	0	0	0	112.8	D33 Q38 L39	D33-G35 VanDerWaalsContact C-N 3.31Å; D33-G35 PolarHBondContact O-N 2.99Å; G35-Q38 PolarHBondContact O-N 3.02Å; G35-L39 VanDerWaalsContact O-CB 3.31Å; G35-L39 WeakPolarHBondContact O-CB 3.35Å; G35-L39 WeakPolarHBondContact O-CD1 3.47Å; G35-L39 WeakPolarHBondContact O-CG 3.39Å; G35-L39 PolarHBondContact O-N 3.5Å
36	L	57.7	Low	49	Very low	122 Å²	122	123.5 Å²	123.5	64%	0.639	61%	0.607	S	S	*	*	H	α-helix	trans	-72.2	-34.5	178.1	-70.5	173.9	0	0	0	112.7	S32 D33 R40	S32-L36 PolarHBondContact O-N 3.02Å; D33-L36 PolarHBondContact O-N 3.42Å; L36-R40 WeakPolarHBondContact O-CB 3.21Å; L36-R40 PolarHBondContact O-N 3.43Å
37	R	56.1	Low	50.3	Low	176 Å²	176	120.4 Å²	120.4	66%	0.664	60%	0.6	S	S	*	*	H	α-helix	trans	-67.1	-41.3	173.3	-71.7	174.7	-178.7	-105.2	-0.5	112	D33 W34 R40 G41	D33-R37 WeakPolarHBondContact O-CG 3.44Å; D33-R37 PolarHBondContact O-N 3.09Å; D33-R37 VanDerWaalsContact O-N 3.13Å; D33-R37 IonicContact OD1-NE 2.97Å; D33-R37 IonicContact OD2-CZ 2.75Å; D33-R37 IonicContact OD2-NE 2.65Å; D33-R37 PolarHBondContact OD2-NE 2.7Å; D33-R37 IonicContact OD2-NH2 3.93Å; W34-R37 PolarHBondContact O-N 2.92Å; R37-R40 PolarHBondContact O-N 3.47Å; R37-G41 PolarHBondContact O-N 3.35Å
38	Q	56.8	Low	51.5	Low	122 Å²	122	115.2 Å²	115.2	57%	0.57	58%	0.584	S	S	*	*	H	α-helix	trans	-71	-35.4	177.9	-155.8	72.4	-10.8	0	0	112	W34 G35 S42	W34-Q38 WeakPolarHBondContact O-CB 3.27Å; W34-Q38 PolarHBondContact O-N 3Å; G35-Q38 PolarHBondContact O-N 3.02Å; Q38-S42 VanDerWaalsContact O-CB 3.26Å; Q38-S42 WeakPolarHBondContact O-CB 3.31Å; Q38-S42 PolarHBondContact O-N 2.93Å; Q38-S42 PolarHBondContact O-OG 3.19Å
39	L	52.7	Low	52.6	Low	106 Å²	106	115 Å²	115	56%	0.555	58%	0.576	S	S	*	*	H	α-helix	trans	-67.3	-40.1	173.6	-75.8	168.2	0	0	0	111.6	G35 S42 F43	G35-L39 VanDerWaalsContact O-CB 3.31Å; G35-L39 WeakPolarHBondContact O-CB 3.35Å; G35-L39 WeakPolarHBondContact O-CD1 3.47Å; G35-L39 WeakPolarHBondContact O-CG 3.39Å; G35-L39 PolarHBondContact O-N 3.5Å; L39-S42 PolarHBondContact O-N 3.47Å; L39-F43 WeakPolarHBondContact O-CD2 3.33Å; L39-F43 PolarHBondContact O-N 3.44Å
40	R	56.8	Low	53.7	Low	199 Å²	199	109.1 Å²	109.1	75%	0.751	55%	0.553	S	S	*	*	H	α-helix	trans	-69	-41.5	176.5	-167.4	172.5	-179.8	122.3	-0.2	112.5	L36 R37 S42 F43	L36-R40 WeakPolarHBondContact O-CB 3.21Å; L36-R40 PolarHBondContact O-N 3.43Å; R37-R40 PolarHBondContact O-N 3.47Å; R40-S42 VanDerWaalsContact C-N 3.32Å; R40-S42 PolarHBondContact O-N 3.13Å; R40-F43 PolarHBondContact O-N 2.94Å
41	G	50.4	Low	54.5	Low	40 Å²	40	108.6 Å²	108.6	41%	0.412	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-29.3	176.1	0	0	0	0	0	113.5	R37 F43 E44	R37-G41 PolarHBondContact O-N 3.35Å; G41-F43 VanDerWaalsContact C-N 3.29Å; G41-F43 PolarHBondContact O-N 2.86Å; G41-E44 PolarHBondContact O-N 3.49Å
42	S	52.7	Low	55.5	Low	53 Å²	53	103.2 Å²	103.2	37%	0.371	53%	0.53	S	S	.	.	H	α-helix	trans	-70.3	-22.8	176.3	-64	0	0	0	0	113.1	Q38 L39 R40 S45 V46	Q38-S42 VanDerWaalsContact O-CB 3.26Å; Q38-S42 WeakPolarHBondContact O-CB 3.31Å; Q38-S42 PolarHBondContact O-N 2.93Å; Q38-S42 PolarHBondContact O-OG 3.19Å; L39-S42 PolarHBondContact O-N 3.47Å; R40-S42 VanDerWaalsContact C-N 3.32Å; R40-S42 PolarHBondContact O-N 3.13Å; S42-S45 PolarHBondContact O-OG 2.68Å; S42-V46 WeakPolarHBondContact O-CG2 3.37Å; S42-V46 PolarHBondContact O-N 2.91Å
43	F	54.2	Low	56.4	Low	165 Å²	165	105.2 Å²	105.2	72%	0.724	53%	0.529	S	S	*	.	H	α-helix	trans	-75.8	-26.1	177.1	-91.7	-80.4	0	0	0	113.6	L39 R40 G41	L39-F43 WeakPolarHBondContact O-CD2 3.33Å; L39-F43 PolarHBondContact O-N 3.44Å; R40-F43 PolarHBondContact O-N 2.94Å; G41-F43 VanDerWaalsContact C-N 3.29Å; G41-F43 PolarHBondContact O-N 2.86Å
44	E	51.1	Low	56.8	Low	153 Å²	153	105.3 Å²	105.3	72%	0.715	53%	0.528	S	S	*	.	H	α-helix	trans	-78.7	-36.4	180	-70.3	175.4	-179	0	0	112.1	G41 V46 N47	G41-E44 PolarHBondContact O-N 3.49Å; E44-V46 VanDerWaalsContact C-N 3.34Å; E44-V46 PolarHBondContact O-N 2.86Å; E44-N47 PolarHBondContact O-N 3.03Å
45	S	52.6	Low	57.3	Low	67 Å²	67	101.2 Å²	101.2	47%	0.469	51%	0.514	S	S	.	.	H	α-helix	trans	-73	-25.2	177	67.5	0	0	0	0	113.2	S42 N47 Y49	S42-S45 PolarHBondContact O-OG 2.68Å; S45-N47 PolarHBondContact O-N 3.31Å; S45-Y49 WeakPolarHBondContact O-CD2 3.42Å
46	V	53.4	Low	57.8	Low	75 Å²	75	103.1 Å²	103.1	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-67	-26.1	178.2	171.3	0	0	0	0	111.8	S42 E44 S48 V50	S42-V46 WeakPolarHBondContact O-CG2 3.37Å; S42-V46 PolarHBondContact O-N 2.91Å; E44-V46 VanDerWaalsContact C-N 3.34Å; E44-V46 PolarHBondContact O-N 2.86Å; V46-S48 PolarHBondContact O-N 3.49Å; V46-V50 HydrophobicContact CG1-CG2 3.64Å; V46-V50 WeakPolarHBondContact O-CB 3.31Å; V46-V50 WeakPolarHBondContact O-CG2 2.98Å; V46-V50 PolarHBondContact O-N 3.11Å
47	N	56.7	Low	58	Low	122 Å²	122	101.9 Å²	101.9	65%	0.652	51%	0.512	S	S	*	.	H	α-helix	trans	-68	-40.5	-172.1	-156.7	32.9	0	0	0	113.7	E44 S45 D51	E44-N47 PolarHBondContact O-N 3.03Å; S45-N47 PolarHBondContact O-N 3.31Å; N47-D51 PolarHBondContact O-N 2.75Å; N47-D51 VanDerWaalsContact O-N 3.12Å
48	S	61.1	Low	58.3	Low	73 Å²	73	94.1 Å²	94.1	51%	0.51	49%	0.487	S	S	.	.	H	α-helix	trans	-75.5	-35.1	-179.2	63.6	0	0	0	0	113.1	V46 S52	V46-S48 PolarHBondContact O-N 3.49Å; S48-S52 PolarHBondContact O-N 3.07Å; S48-S52 VanDerWaalsContact O-N 3.12Å; S48-S52 PolarHBondContact O-OG 2.7Å
49	Y	61.4	Low	58.5	Low	180 Å²	180	88.9 Å²	88.9	71%	0.706	47%	0.466	S	S	*	.	H	α-helix	trans	-67.5	-38.7	173.3	-81.1	-83.8	0	0	0	111.5	S45 S52 F53	S45-Y49 WeakPolarHBondContact O-CD2 3.42Å; Y49-S52 PolarHBondContact O-N 3.4Å; Y49-F53 VanDerWaalsContact O-CB 3.28Å; Y49-F53 WeakPolarHBondContact O-CB 3.39Å; Y49-F53 PolarHBondContact O-N 2.85Å
50	V	62	Low	58.5	Low	67 Å²	67	91.9 Å²	91.9	41%	0.406	47%	0.474	S	S	.	.	H	α-helix	trans	-63.3	-46.3	175.3	169.8	0	0	0	0	110.6	V46 S52 F53 M54	V46-V50 HydrophobicContact CG1-CG2 3.64Å; V46-V50 WeakPolarHBondContact O-CB 3.31Å; V46-V50 WeakPolarHBondContact O-CG2 2.98Å; V46-V50 PolarHBondContact O-N 3.11Å; V50-S52 VanDerWaalsContact C-N 3.35Å; V50-S52 PolarHBondContact O-N 3.4Å; V50-F53 PolarHBondContact O-N 3.14Å; V50-M54 HydrophobicContact CG1-CG 3.92Å; V50-M54 VanDerWaalsContact O-CB 3.27Å; V50-M54 WeakPolarHBondContact O-CB 3.47Å; V50-M54 WeakPolarHBondContact O-CG 3.45Å; V50-M54 PolarHBondContact O-N 2.99Å
51	D	62.8	Low	58.4	Low	86 Å²	86	90.1 Å²	90.1	46%	0.46	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-43.9	178.7	-167	61.3	0	0	0	111.9	N47 F53 M54 E55	N47-D51 PolarHBondContact O-N 2.75Å; N47-D51 VanDerWaalsContact O-N 3.12Å; D51-F53 PolarHBondContact O-N 3.26Å; D51-M54 PolarHBondContact O-N 2.81Å; D51-E55 PolarHBondContact O-N 3.08Å
52	S	62	Low	59	Low	58 Å²	58	90.4 Å²	90.4	41%	0.406	48%	0.483	S	S	.	.	H	α-helix	trans	-61.7	-41.5	176.4	-61.1	0	0	0	0	112.7	S48 Y49 V50 L56	S48-S52 PolarHBondContact O-N 3.07Å; S48-S52 VanDerWaalsContact O-N 3.12Å; S48-S52 PolarHBondContact O-OG 2.7Å; Y49-S52 PolarHBondContact O-N 3.4Å; V50-S52 VanDerWaalsContact C-N 3.35Å; V50-S52 PolarHBondContact O-N 3.4Å; S52-L56 WeakPolarHBondContact O-CB 3.22Å; S52-L56 PolarHBondContact O-N 2.96Å
53	F	67.2	Low	60.2	Low	121 Å²	121	91.3 Å²	91.3	53%	0.531	49%	0.486	S	S	.	.	H	α-helix	trans	-71.3	-36.8	177.7	-176.2	-108.4	0	0	0	111.9	Y49 V50 D51 L56 L57	Y49-F53 VanDerWaalsContact O-CB 3.28Å; Y49-F53 WeakPolarHBondContact O-CB 3.39Å; Y49-F53 PolarHBondContact O-N 2.85Å; V50-F53 PolarHBondContact O-N 3.14Å; D51-F53 PolarHBondContact O-N 3.26Å; F53-L56 WeakPolarHBondContact O-CB 3.41Å; F53-L56 PolarHBondContact O-N 3.33Å; F53-L57 HydrophobicContact CD1-CD1 4.04Å; F53-L57 HydrophobicContact CD2-CD1 4.41Å; F53-L57 HydrophobicContact CD2-CG 4.46Å; F53-L57 HydrophobicContact CE1-CD1 3.31Å; F53-L57 HydrophobicContact CE1-CG 4.22Å; F53-L57 HydrophobicContact CE2-CD1 3.74Å; F53-L57 HydrophobicContact CE2-CG 4.12Å; F53-L57 HydrophobicContact CZ-CD1 3.16Å; F53-L57 HydrophobicContact CZ-CG 4.02Å; F53-L57 PolarHBondContact O-N 2.85Å
54	M	62	Low	61.8	Low	88 Å²	88	83.6 Å²	83.6	43%	0.433	45%	0.453	S	S	.	.	H	α-helix	trans	-67.2	-44.2	175.3	-69.4	-72.7	-90.6	0	0	110.5	V50 D51 L56 L57 G58 G59	V50-M54 HydrophobicContact CG1-CG 3.92Å; V50-M54 VanDerWaalsContact O-CB 3.27Å; V50-M54 WeakPolarHBondContact O-CB 3.47Å; V50-M54 WeakPolarHBondContact O-CG 3.45Å; V50-M54 PolarHBondContact O-N 2.99Å; D51-M54 PolarHBondContact O-N 2.81Å; M54-L56 PolarHBondContact O-N 2.91Å; M54-L57 PolarHBondContact O-N 3.15Å; M54-G58 PolarHBondContact O-N 3.03Å; M54-G59 WeakPolarHBondContact O-CA 3.44Å; M54-G59 PolarHBondContact O-N 2.95Å
55	E	62.2	Low	63.6	Low	32 Å²	32	80.2 Å²	80.2	15%	0.15	44%	0.437	C	S	.	.	H	α-helix	trans	-60.7	-30.8	171	-75.8	-160	159.9	0	0	112.2	D51 C174 R175 R182	D51-E55 PolarHBondContact O-N 3.08Å; E55-C174 WeakPolarHBondContact O-CB 3.39Å; E55-C174 PolarHBondContact O-SG 2.91Å; E55-C174 VanDerWaalsContact O-SG 3.34Å; E55-R175 PolarHBondContact O-N 2.79Å; E55-R182 IonicContact OE1-CZ 3.13Å; E55-R182 IonicContact OE1-NH1 2.85Å; E55-R182 PolarHBondContact OE1-NH1 2.89Å; E55-R182 IonicContact OE1-NH2 2.83Å; E55-R182 PolarHBondContact OE1-NH2 3.16Å; E55-R182 IonicContact OE2-NH1 3.25Å; E55-R182 IonicContact OE2-NH2 3.91Å; E55-R182 PolarHBondContact OE2-NH2 2.9Å; E55-R182 VanDerWaalsContact OE2-NH2 3.14Å
56	L	62.2	Low	65.4	Low	61 Å²	61	78.7 Å²	78.7	32%	0.319	42%	0.421	S	S	.	.	H	α-helix	trans	-73.7	-37.7	175.5	-173.4	63.5	0	0	0	112.7	S52 F53 M54 L172	S52-L56 WeakPolarHBondContact O-CB 3.22Å; S52-L56 PolarHBondContact O-N 2.96Å; F53-L56 WeakPolarHBondContact O-CB 3.41Å; F53-L56 PolarHBondContact O-N 3.33Å; M54-L56 PolarHBondContact O-N 2.91Å; L56-L172 HydrophobicContact CD1-CB 4.36Å; L56-L172 HydrophobicContact CD1-CD2 3.87Å; L56-L172 HydrophobicContact CG-CD2 4.09Å
57	L	61.8	Low	67.1	Low	95 Å²	95	83.4 Å²	83.4	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-98.8	-5.4	-173	-70.2	-167.9	0	0	0	116	F53 M54	F53-L57 HydrophobicContact CD1-CD1 4.04Å; F53-L57 HydrophobicContact CD2-CD1 4.41Å; F53-L57 HydrophobicContact CD2-CG 4.46Å; F53-L57 HydrophobicContact CE1-CD1 3.31Å; F53-L57 HydrophobicContact CE1-CG 4.22Å; F53-L57 HydrophobicContact CE2-CD1 3.74Å; F53-L57 HydrophobicContact CE2-CG 4.12Å; F53-L57 HydrophobicContact CZ-CD1 3.16Å; F53-L57 HydrophobicContact CZ-CG 4.02Å; F53-L57 PolarHBondContact O-N 2.85Å; M54-L57 PolarHBondContact O-N 3.15Å
58	G	62.1	Low	68.7	Low	13 Å²	13	78 Å²	78	13%	0.134	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	147.5	8.3	172.4	0	0	0	0	0	117.5	M54 G62 V63 C64	M54-G58 PolarHBondContact O-N 3.03Å; G58-G62 CarbonylContact O-C 3.56Å; G58-G62 WeakPolarHBondContact O-CA 3.38Å; G58-V63 CarbonylContact O-C 3.49Å; G58-V63 PolarHBondContact O-N 3.48Å; G58-V63 VanDerWaalsContact O-N 3.16Å; G58-C64 PolarHBondContact O-N 3.36Å; G58-C64 VanDerWaalsContact O-N 3.09Å
59	G	60.5	Low	69.9	Low	12 Å²	12	83.5 Å²	83.5	12%	0.124	41%	0.412	C	S	.	.	S	Bend	trans	74.5	-171.6	178.3	0	0	0	0	0	114.3	M54 N61 G62	M54-G59 WeakPolarHBondContact O-CA 3.44Å; M54-G59 PolarHBondContact O-N 2.95Å; G59-N61 PolarHBondContact O-N 2.76Å; G59-G62 PolarHBondContact O-N 3.41Å
60	K	53.9	Low	70.9	Confident	169 Å²	169	79.8 Å²	79.8	74%	0.735	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-62.8	125.9	178.6	-81.8	179.4	175.4	172.8	0	110.2	G62 V63	K60-G62 PolarHBondContact O-N 3.42Å; K60-V63 PolarHBondContact O-N 3.34Å
61	N	53.1	Low	71.9	Confident	162 Å²	162	79.9 Å²	79.9	87%	0.866	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	63.2	19.5	-178	-50.4	-25	0	0	0	114.9	G59 V63	G59-N61 PolarHBondContact O-N 2.76Å; N61-V63 PolarHBondContact O-N 2.97Å
62	G	64.1	Low	73	Confident	47 Å²	47	82.6 Å²	82.6	49%	0.485	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	73.5	8.7	-177.4	0	0	0	0	0	114.3	G58 G59 K60 Y127	G58-G62 CarbonylContact O-C 3.56Å; G58-G62 WeakPolarHBondContact O-CA 3.38Å; G59-G62 PolarHBondContact O-N 3.41Å; K60-G62 PolarHBondContact O-N 3.42Å; G62-Y127 PolarHBondContact O-OH 3.21Å
63	V	76.9	Confident	74.4	Confident	71 Å²	71	83.7 Å²	83.7	43%	0.43	43%	0.432	S	S	.	.			trans	-107.4	105.7	176.2	-177.1	0	0	0	0	109	G58 K60 N61 Q65 Y127	G58-V63 CarbonylContact O-C 3.49Å; G58-V63 PolarHBondContact O-N 3.48Å; G58-V63 VanDerWaalsContact O-N 3.16Å; K60-V63 PolarHBondContact O-N 3.34Å; N61-V63 PolarHBondContact O-N 2.97Å; V63-Q65 HydrophobicContact CG1-CB 4.23Å; V63-Q65 PolarHBondContact O-N 3.46Å; V63-Q65 VanDerWaalsContact O-N 3.11Å; V63-Y127 WeakPolarHBondContact CA-OH 3.41Å; V63-Y127 HydrophobicContact CG1-CE2 4.08Å
64	C	88.4	Confident	75.6	Confident	4 Å²	4	79.3 Å²	79.3	3%	0.027	42%	0.416	C	S	.	.			trans	-80.8	95.9	176.7	-171.1	0	0	0	0	110.4	G58 K126 Y127 C174	G58-C64 PolarHBondContact O-N 3.36Å; G58-C64 VanDerWaalsContact O-N 3.09Å; C64-K126 HydrophobicContact CB-CD 3.58Å; C64-K126 VanDerWaalsContact SG-CD 3.56Å; C64-Y127 PolarHBondContact N-OH 3.24Å; C64-C174 HydrophobicContact CB-CB 3.74Å; C64-C174 WeakPolarHBondContact CB-SG 3.1Å; C64-C174 WeakPolarHBondContact SG-CA 3.07Å; C64-C174 WeakPolarHBondContact SG-CB 2.98Å; C64-C174 CovalentContact SG-SG 2.02Å; C64-C174 PolarHBondContact SG-SG 3.32Å
65	Q	89.4	Confident	77.1	Confident	82 Å²	82	79.1 Å²	79.1	38%	0.383	42%	0.415	S	S	.	.			trans	-140.9	131.2	-178.9	-174.5	-179.2	12.9	0	0	110.9	V63 R67	V63-Q65 HydrophobicContact CG1-CB 4.23Å; V63-Q65 PolarHBondContact O-N 3.46Å; V63-Q65 VanDerWaalsContact O-N 3.11Å; Q65-R67 HydrophobicContact CG-CG 4.21Å
66	Y	90.9	Very high	78.7	Confident	35 Å²	35	82.2 Å²	82.2	14%	0.137	44%	0.438	C	S	.	.			trans	-75.7	130.9	171.2	-173.4	-106.4	0	0	0	110.9	P74 M178 Q181 R182 C185	Y66-P74 HydrophobicContact CD1-CB 3.9Å; Y66-P74 HydrophobicContact CD1-CG 4.02Å; Y66-P74 HydrophobicContact CE1-CB 3.72Å; Y66-P74 HydrophobicContact CE1-CG 4.36Å; Y66-M178 HydrophobicContact CD2-CE 3.88Å; Y66-M178 HydrophobicContact CD2-SD 4.39Å; Y66-Q181 HydrophobicContact CD1-CB 3.95Å; Y66-Q181 HydrophobicContact CD2-CB 3.77Å; Y66-Q181 HydrophobicContact CE2-CB 4.43Å; Y66-Q181 HydrophobicContact CG-CB 3.5Å; Y66-Q181 VanDerWaalsContact CG-CB 3.5Å; Y66-Q181 HydrophobicContact CG-CG 4.21Å; Y66-R182 HydrophobicContact CD2-CG 4.38Å; Y66-R182 HydrophobicContact CE2-CG 3.65Å; Y66-C185 HydrophobicContact CD1-CB 4.29Å; Y66-C185 HydrophobicContact CE1-CB 3.6Å
67	R	89.5	Confident	80.2	Confident	174 Å²	174	84.4 Å²	84.4	66%	0.657	44%	0.442	S	S	*	.			trans	-143.6	141.8	178.1	-62.5	-172	179.5	-164.2	0.3	109.3	Q65	Q65-R67 HydrophobicContact CG-CG 4.21Å
68	C	90	Very high	81.5	Confident	9 Å²	9	85 Å²	85	6%	0.061	45%	0.451	C	S	.	.			trans	-68.9	150.3	168	-59.7	0	0	0	0	110.5	Y70 G71 K72 C187	C68-Y70 VanDerWaalsContact C-N 3.25Å; C68-Y70 PolarHBondContact O-N 3.45Å; C68-G71 PolarHBondContact O-N 2.85Å; C68-K72 WeakPolarHBondContact CB-O 3.48Å; C68-C187 WeakPolarHBondContact CA-SG 3.42Å; C68-C187 HydrophobicContact CB-CB 3.66Å; C68-C187 WeakPolarHBondContact CB-SG 3.44Å; C68-C187 WeakPolarHBondContact SG-CB 3.29Å; C68-C187 CovalentContact SG-SG 2.03Å; C68-C187 PolarHBondContact SG-SG 2.93Å
69	R	85.4	Confident	82.8	Confident	188 Å²	188	88 Å²	88	71%	0.709	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-41.5	-179.4	-172.6	-180	-173.4	-168	2	112.6	G71 E190 E193	R69-G71 VanDerWaalsContact C-N 3.27Å; R69-G71 PolarHBondContact O-N 3.48Å; R69-E190 HydrophobicContact CB-CG 4.38Å; R69-E190 WeakPolarHBondContact CB-OE1 3.43Å; R69-E190 PolarHBondContact N-OE1 3.21Å; R69-E193 IonicContact NH1-OE2 3.46Å
70	Y	83.2	Confident	84.1	Confident	102 Å²	102	90.7 Å²	90.7	40%	0.4	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	12.5	-178.6	-61	-65.7	0	0	0	114.1	C68 K72 E189 E190 E193	C68-Y70 VanDerWaalsContact C-N 3.25Å; C68-Y70 PolarHBondContact O-N 3.45Å; Y70-K72 PolarHBondContact O-N 2.95Å; Y70-E189 HydrophobicContact CD2-CB 3.58Å; Y70-E189 HydrophobicContact CE2-CB 4.2Å; Y70-E189 HydrophobicContact CG-CB 4.26Å; Y70-E190 HydrophobicContact CD2-CG 4.21Å; Y70-E190 HydrophobicContact CE2-CG 4.18Å; Y70-E193 PolarHBondContact OH-OE1 2.72Å; Y70-E193 PolarHBondContact OH-OE2 3.4Å
71	G	82.9	Confident	85.6	Confident	68 Å²	68	91.3 Å²	91.3	70%	0.701	49%	0.492	S	S	*	.	S	Bend	trans	70.6	0.4	176.5	0	0	0	0	0	115.3	C68 R69	C68-G71 PolarHBondContact O-N 2.85Å; R69-G71 VanDerWaalsContact C-N 3.27Å; R69-G71 PolarHBondContact O-N 3.48Å
72	K	85.9	Confident	86.9	Confident	143 Å²	143	86.3 Å²	86.3	62%	0.622	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-68.1	153.1	171	-67.9	-67.8	-174.1	176.7	0	110.6	C68 Y70	C68-K72 WeakPolarHBondContact CB-O 3.48Å; Y70-K72 PolarHBondContact O-N 2.95Å
73	A	90.6	Very high	87.5	Confident	81 Å²	81	90.1 Å²	90.1	67%	0.669	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-65.7	134.4	175.1	0	0	0	0	0	109.8
74	P	93.2	Very high	87.5	Confident	30 Å²	30	94.6 Å²	94.6	20%	0.195	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-65.4	144.5	173.7	30.1	-35.5	0	0	0	110	Y66 C185	Y66-P74 HydrophobicContact CD1-CB 3.9Å; Y66-P74 HydrophobicContact CD1-CG 4.02Å; Y66-P74 HydrophobicContact CE1-CB 3.72Å; Y66-P74 HydrophobicContact CE1-CG 4.36Å; P74-C185 HydrophobicContact CB-CB 3.94Å
75	M	93.5	Very high	86.8	Confident	84 Å²	84	97.1 Å²	97.1	41%	0.414	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.9	179	-60.5	-173.4	-58.4	0	0	110.1	R77 C122 C185 I186 A188	M75-R77 PolarHBondContact O-N 3.46Å; M75-C122 PolarHBondContact O-SG 3.36Å; M75-C122 VanDerWaalsContact O-SG 3.36Å; M75-C185 CarbonylContact O-C 3.52Å; M75-C185 VanDerWaalsContact O-CA 3.29Å; M75-C185 WeakPolarHBondContact O-CA 3.14Å; M75-I186 HydrophobicContact CB-CG1 4.14Å; M75-I186 HydrophobicContact CE-CD1 4.33Å; M75-I186 PolarHBondContact N-O 3.15Å; M75-I186 WeakPolarHBondContact O-CG1 3.47Å; M75-I186 PolarHBondContact O-N 2.81Å; M75-A188 HydrophobicContact CE-CB 3.47Å; M75-A188 VanDerWaalsContact CE-CB 3.47Å
76	P	94.4	Very high	85.9	Confident	96 Å²	96	98.9 Å²	98.9	62%	0.623	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	132.3	174.3	-23.1	33.4	0	0	0	111.3	P78 C122	P76-P78 WeakPolarHBondContact O-CD 3.33Å; P76-C122 HydrophobicContact CB-CB 4.28Å; P76-C122 HydrophobicContact CG-CB 4.28Å
77	R	93.7	Very high	85	Confident	107 Å²	107	97.5 Å²	97.5	40%	0.404	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-65.2	123.9	176.1	-179	-179.3	-64.7	-95.3	-3	109.7	M75 G79 Y80 A183 A184 C185 I186	M75-R77 PolarHBondContact O-N 3.46Å; R77-G79 PolarHBondContact O-N 2.97Å; R77-Y80 WeakPolarHBondContact O-CB 3.23Å; R77-Y80 PolarHBondContact O-N 3.31Å; R77-A183 WeakPolarHBondContact CD-O 3.13Å; R77-A183 PolarHBondContact NE-O 3.19Å; R77-A184 VanDerWaalsContact CB-O 3.31Å; R77-A184 WeakPolarHBondContact CB-O 3.43Å; R77-A184 PolarHBondContact N-O 2.56Å; R77-C185 PolarHBondContact NH2-O 3.04Å; R77-I186 HydrophobicContact CB-CG2 3.89Å; R77-I186 HydrophobicContact CG-CG2 3.88Å
78	P	89.9	Confident	84	Confident	107 Å²	107	89.4 Å²	89.4	70%	0.695	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	132.7	177.3	-26	35	0	0	0	112.1	P76 Y80 I186	P76-P78 WeakPolarHBondContact O-CD 3.33Å; P78-Y80 PolarHBondContact O-N 3.37Å; P78-I186 HydrophobicContact CG-CD1 4.49Å
79	G	88.5	Confident	82.8	Confident	77 Å²	77	93.3 Å²	93.3	79%	0.794	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	2.7	177.9	0	0	0	0	0	115.5	R77 K81	R77-G79 PolarHBondContact O-N 2.97Å; G79-K81 PolarHBondContact O-N 2.89Å
80	Y	88.5	Confident	81.6	Confident	68 Å²	68	88 Å²	88	27%	0.267	51%	0.508	S	S	.	.			trans	-62.2	130.5	175.4	179.6	-103.7	0	0	0	110.9	R77 P78 A82 A183 A184	R77-Y80 WeakPolarHBondContact O-CB 3.23Å; R77-Y80 PolarHBondContact O-N 3.31Å; P78-Y80 PolarHBondContact O-N 3.37Å; Y80-A82 HydrophobicContact CE1-CB 4.49Å; Y80-A183 HydrophobicContact CE2-CB 3.96Å; Y80-A184 HydrophobicContact CD1-CB 3.8Å; Y80-A184 HydrophobicContact CE1-CB 3.46Å; Y80-A184 VanDerWaalsContact CE1-CB 3.46Å; Y80-A184 HydrophobicContact CG-CB 4.47Å
81	K	85.9	Confident	80.5	Confident	183 Å²	183	84 Å²	84	80%	0.796	49%	0.492	S	S	*	.			trans	-109.3	121.6	172	-66.7	-178.4	180	-179.9	0	107	G79	G79-K81 PolarHBondContact O-N 2.89Å
82	A	81	Confident	79.5	Confident	56 Å²	56	82.4 Å²	82.4	46%	0.463	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-53.9	143.7	173.2	0	0	0	0	0	109.5	Y80 D120	Y80-A82 HydrophobicContact CE1-CB 4.49Å; A82-D120 HydrophobicContact CB-CB 4.14Å
83	Q	76.2	Confident	78.1	Confident	127 Å²	127	82.9 Å²	82.9	59%	0.593	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-66.6	150	177.5	-65.7	-175.7	54.6	0	0	109.1	D120	Q83-D120 PolarHBondContact N-OD2 2.94Å; Q83-D120 VanDerWaalsContact N-OD2 3.13Å
84	E	76.1	Confident	76.4	Confident	165 Å²	165	82.8 Å²	82.8	77%	0.771	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-62	131.1	174	-71.7	-169.2	167.7	0	0	109.1	N86	E84-N86 PolarHBondContact O-N 2.99Å; E84-N86 PolarHBondContact O-ND2 3.46Å; E84-N86 VanDerWaalsContact O-ND2 3.14Å
85	P	74.1	Confident	74.7	Confident	57 Å²	57	83 Å²	83	37%	0.37	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-60.9	124.7	-179.3	-23.2	32.9	0	0	0	111.3	N113 V117	P85-N113 HydrophobicContact CB-CB 3.46Å; P85-N113 VanDerWaalsContact CB-CB 3.46Å; P85-N113 VanDerWaalsContact CB-OD1 3.24Å; P85-N113 WeakPolarHBondContact CB-OD1 3.4Å; P85-N113 HydrophobicContact CG-CB 4.18Å; P85-V117 HydrophobicContact CG-CG2 4.1Å
86	N	70.5	Confident	72.7	Confident	120 Å²	120	88.3 Å²	88.3	64%	0.642	50%	0.501	S	S	*	.			trans	-101.2	19.3	-172.7	-68.2	-56.5	0	0	0	113.1	E84	E84-N86 PolarHBondContact O-N 2.99Å; E84-N86 PolarHBondContact O-ND2 3.46Å; E84-N86 VanDerWaalsContact O-ND2 3.14Å
87	G	71.7	Confident	70.8	Confident	6 Å²	6	85.6 Å²	85.6	6%	0.062	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-156.6	-176.6	0	0	0	0	0	113.1	S89 N113	G87-S89 VanDerWaalsContact C-N 3.33Å; G87-S89 PolarHBondContact O-N 3.47Å; G87-N113 WeakPolarHBondContact CA-OD1 3.46Å; G87-N113 PolarHBondContact N-OD1 3.41Å
88	C	69.9	Low	68.8	Low	3 Å²	3	83.8 Å²	83.8	2%	0.02	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	11.2	-175.1	-57.4	0	0	0	0	114.2	S90 Y91 F92 M108 C112	C88-S90 PolarHBondContact O-N 3.38Å; C88-S90 VanDerWaalsContact O-N 3.15Å; C88-Y91 PolarHBondContact O-N 2.89Å; C88-F92 HydrophobicContact CB-CD2 3.1Å; C88-F92 HydrophobicContact CB-CE2 3.09Å; C88-F92 HydrophobicContact CB-CG 4.21Å; C88-F92 HydrophobicContact CB-CZ 4.2Å; C88-F92 PolarHBondContact O-N 2.92Å; C88-F92 VanDerWaalsContact SG-CE2 3.52Å; C88-M108 PolarHBondContact SG-O 2.94Å; C88-M108 VanDerWaalsContact SG-O 3.41Å; C88-C112 WeakPolarHBondContact CA-SG 3.28Å; C88-C112 HydrophobicContact CB-CB 3.83Å; C88-C112 WeakPolarHBondContact CB-SG 3.25Å; C88-C112 WeakPolarHBondContact SG-CB 3.46Å; C88-C112 CovalentContact SG-SG 2Å; C88-C112 PolarHBondContact SG-SG 2.9Å
89	S	63	Low	66.8	Low	92 Å²	92	81.3 Å²	81.3	64%	0.643	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.1	-168.2	-69.3	0	0	0	0	114	G87 Y91	G87-S89 VanDerWaalsContact C-N 3.33Å; G87-S89 PolarHBondContact O-N 3.47Å; S89-Y91 VanDerWaalsContact C-N 3.32Å
90	S	60.3	Low	65.1	Low	75 Å²	75	82.4 Å²	82.4	52%	0.524	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-26.5	174.4	51.8	0	0	0	0	113.3	C88	C88-S90 PolarHBondContact O-N 3.38Å; C88-S90 VanDerWaalsContact O-N 3.15Å
91	Y	61.8	Low	63.4	Low	19 Å²	19	79.7 Å²	79.7	8%	0.075	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-25.1	-172	-51.9	-67.1	0	0	0	113.4	C88 S89 L115 D116 V169	C88-Y91 PolarHBondContact O-N 2.89Å; S89-Y91 VanDerWaalsContact C-N 3.32Å; Y91-L115 HydrophobicContact CE2-CD2 4.21Å; Y91-D116 PolarHBondContact OH-OD1 3.39Å; Y91-V169 HydrophobicContact CD1-CG2 3.55Å; Y91-V169 HydrophobicContact CD2-CG2 4.29Å; Y91-V169 HydrophobicContact CE1-CG2 4.04Å; Y91-V169 HydrophobicContact CG-CG2 3.68Å
92	F	61.4	Low	61.8	Low	35 Å²	35	75.9 Å²	75.9	15%	0.154	45%	0.452	C	S	.	.			trans	-85.8	1.1	179	-79.4	-58.5	0	0	0	114.5	C88 G94 I95 M108 L161 V165	C88-F92 HydrophobicContact CB-CD2 3.1Å; C88-F92 HydrophobicContact CB-CE2 3.09Å; C88-F92 HydrophobicContact CB-CG 4.21Å; C88-F92 HydrophobicContact CB-CZ 4.2Å; C88-F92 PolarHBondContact O-N 2.92Å; C88-F92 VanDerWaalsContact SG-CE2 3.52Å; F92-G94 PolarHBondContact O-N 3.45Å; F92-I95 HydrophobicContact CD1-CB 3.99Å; F92-I95 HydrophobicContact CD1-CD1 4.01Å; F92-I95 HydrophobicContact CD1-CG2 4.21Å; F92-I95 PolarHBondContact O-N 3.09Å; F92-M108 HydrophobicContact CZ-SD 4.35Å; F92-L161 HydrophobicContact CE1-CD1 4.41Å; F92-V165 HydrophobicContact CD1-CG2 3.99Å; F92-V165 HydrophobicContact CE1-CG2 3.23Å; F92-V165 HydrophobicContact CZ-CG2 3.82Å
93	L	56.2	Low	60.4	Low	153 Å²	153	79.6 Å²	79.6	80%	0.801	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	98.8	176.9	-74.9	169.6	0	0	0	110.6
94	G	54.3	Low	59.5	Low	78 Å²	78	73.9 Å²	73.9	80%	0.804	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.5	-11	178.9	0	0	0	0	0	116.5	F92 K96	F92-G94 PolarHBondContact O-N 3.45Å; G94-K96 PolarHBondContact O-N 3.35Å
95	I	57.1	Low	58.8	Low	34 Å²	34	68.3 Å²	68.3	17%	0.174	41%	0.414	C	S	.	.			trans	-83.1	101.4	176.5	-59.5	173.8	0	0	0	108.2	F92 V97 L161 T164 V165	F92-I95 HydrophobicContact CD1-CB 3.99Å; F92-I95 HydrophobicContact CD1-CD1 4.01Å; F92-I95 HydrophobicContact CD1-CG2 4.21Å; F92-I95 PolarHBondContact O-N 3.09Å; I95-V97 PolarHBondContact O-N 3.03Å; I95-L161 HydrophobicContact CG2-CD1 3.57Å; I95-T164 HydrophobicContact CD1-CG2 3.92Å; I95-T164 HydrophobicContact CG1-CG2 4.25Å; I95-V165 HydrophobicContact CD1-CG2 3.98Å
96	K	53	Low	58.3	Low	197 Å²	197	70 Å²	70	86%	0.857	43%	0.425	S	S	*	.			trans	-67.5	102.6	170.7	-73.1	178.4	179.6	168.5	0	108.6	G94 P98	G94-K96 PolarHBondContact O-N 3.35Å; K96-P98 WeakPolarHBondContact O-CD 3.36Å
97	V	53.6	Low	58.4	Low	38 Å²	38	65.9 Å²	65.9	23%	0.23	41%	0.408	C	S	.	.			trans	-71.5	121.4	173.2	-162.3	0	0	0	0	107.6	I95 G99 M101 I105 L161	I95-V97 PolarHBondContact O-N 3.03Å; V97-G99 PolarHBondContact O-N 3.31Å; V97-M101 HydrophobicContact CG1-CB 3.84Å; V97-I105 HydrophobicContact CB-CD1 4.06Å; V97-I105 HydrophobicContact CG1-CD1 3.89Å; V97-I105 HydrophobicContact CG1-CG1 3.96Å; V97-I105 HydrophobicContact CG2-CD1 4.13Å; V97-I105 HydrophobicContact CG2-CG1 4.47Å; V97-L161 HydrophobicContact CG1-CD2 3.97Å
98	P	51.1	Low	58.7	Low	70 Å²	70	65.8 Å²	65.8	46%	0.455	41%	0.406	S	S	.	.			trans	-65.2	132.3	174	19.9	-22.8	0	0	0	109	K96 S100 M101	K96-P98 WeakPolarHBondContact O-CD 3.36Å; P98-S100 PolarHBondContact O-N 3.13Å; P98-M101 HydrophobicContact CG-CG 4.15Å; P98-M101 WeakPolarHBondContact O-CB 3.06Å; P98-M101 PolarHBondContact O-N 2.75Å
99	G	49.5	Very low	59.3	Low	55 Å²	55	67.7 Å²	67.7	57%	0.567	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-57.4	-17.2	-170.4	0	0	0	0	0	115.8	V97 M101 D102	V97-G99 PolarHBondContact O-N 3.31Å; G99-M101 PolarHBondContact O-N 2.83Å; G99-M101 VanDerWaalsContact O-N 3.15Å; G99-D102 PolarHBondContact O-N 3.42Å
100	S	51.6	Low	60.5	Low	99 Å²	99	69.8 Å²	69.8	69%	0.692	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-64.6	-10.9	169.7	56.6	0	0	0	0	114	P98	P98-S100 PolarHBondContact O-N 3.13Å
101	M	52.7	Low	62	Low	11 Å²	11	66.2 Å²	66.2	5%	0.054	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-111.3	7.9	-176.3	-61.9	-96	-72.5	0	0	112.7	V97 P98 G99 L103 G104 I105 A157 C158 L161	V97-M101 HydrophobicContact CG1-CB 3.84Å; P98-M101 HydrophobicContact CG-CG 4.15Å; P98-M101 WeakPolarHBondContact O-CB 3.06Å; P98-M101 PolarHBondContact O-N 2.75Å; G99-M101 PolarHBondContact O-N 2.83Å; G99-M101 VanDerWaalsContact O-N 3.15Å; M101-L103 PolarHBondContact O-N 3.43Å; M101-L103 VanDerWaalsContact O-N 3.07Å; M101-G104 WeakPolarHBondContact O-CA 3.03Å; M101-G104 PolarHBondContact O-N 3.44Å; M101-I105 PolarHBondContact O-N 3.49Å; M101-A157 HydrophobicContact SD-CB 4.22Å; M101-C158 HydrophobicContact CE-CB 4.21Å; M101-C158 HydrophobicContact SD-CB 4.31Å; M101-L161 HydrophobicContact CE-CB 3.6Å; M101-L161 HydrophobicContact CE-CD2 3.32Å; M101-L161 HydrophobicContact CE-CG 4.08Å
102	D	52.7	Low	63.4	Low	103 Å²	103	65.3 Å²	65.3	55%	0.551	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.3	176	-90	-19	0	0	0	112.1	G99 G104 I105 P106	G99-D102 PolarHBondContact O-N 3.42Å; D102-G104 VanDerWaalsContact C-N 3.3Å; D102-G104 PolarHBondContact O-N 2.85Å; D102-I105 PolarHBondContact O-N 2.73Å; D102-I105 VanDerWaalsContact OD1-CD1 3.23Å; D102-I105 WeakPolarHBondContact OD1-CD1 3.26Å; D102-P106 WeakPolarHBondContact O-CD 3.43Å
103	L	52.1	Low	64.8	Low	135 Å²	135	65.9 Å²	65.9	71%	0.707	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.8	174.2	-157.2	75.2	0	0	0	113.2	M101	M101-L103 PolarHBondContact O-N 3.43Å; M101-L103 VanDerWaalsContact O-N 3.07Å
104	G	56.8	Low	66.5	Low	6 Å²	6	63.4 Å²	63.4	6%	0.062	38%	0.375	C	S	.	.	H	α-helix	trans	-79.3	-25.4	178	0	0	0	0	0	113.4	M101 D102 A107 M108	M101-G104 WeakPolarHBondContact O-CA 3.03Å; M101-G104 PolarHBondContact O-N 3.44Å; D102-G104 VanDerWaalsContact C-N 3.3Å; D102-G104 PolarHBondContact O-N 2.85Å; G104-A107 PolarHBondContact O-N 2.05Å; G104-A107 VanDerWaalsContact O-N 3.12Å; G104-M108 WeakPolarHBondContact O-CG 3.46Å; G104-M108 PolarHBondContact O-N 3.2Å
105	I	61.1	Low	68.4	Low	49 Å²	49	59.9 Å²	59.9	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-47.6	-176.2	-59.4	176.3	0	0	0	112	V97 M101 D102 A107 M108 T109	V97-I105 HydrophobicContact CB-CD1 4.06Å; V97-I105 HydrophobicContact CG1-CD1 3.89Å; V97-I105 HydrophobicContact CG1-CG1 3.96Å; V97-I105 HydrophobicContact CG2-CD1 4.13Å; V97-I105 HydrophobicContact CG2-CG1 4.47Å; M101-I105 PolarHBondContact O-N 3.49Å; D102-I105 PolarHBondContact O-N 2.73Å; D102-I105 VanDerWaalsContact OD1-CD1 3.23Å; D102-I105 WeakPolarHBondContact OD1-CD1 3.26Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.05Å; I105-M108 PolarHBondContact O-N 3.22Å; I105-T109 WeakPolarHBondContact O-CB 3.26Å; I105-T109 PolarHBondContact O-N 2.76Å; I105-T109 PolarHBondContact O-OG1 3.12Å
106	P	64.9	Low	70.1	Confident	91 Å²	91	59.6 Å²	59.6	59%	0.591	34%	0.337	S	S	*	.	H	α-helix	trans	-63.1	-34.9	175.9	-22.4	33.1	0	0	0	112.9	D102 T109	D102-P106 WeakPolarHBondContact O-CD 3.43Å; P106-T109 WeakPolarHBondContact O-CB 3.26Å
107	A	72.1	Confident	72	Confident	35 Å²	35	53.7 Å²	53.7	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-71.2	-44.6	179	0	0	0	0	0	111.4	G104 I105 T109 K110 I140	G104-A107 PolarHBondContact O-N 2.05Å; G104-A107 VanDerWaalsContact O-N 3.12Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.05Å; A107-T109 PolarHBondContact O-N 3.41Å; A107-K110 VanDerWaalsContact O-CB 3.22Å; A107-K110 WeakPolarHBondContact O-CB 3.46Å; A107-K110 PolarHBondContact O-N 3.39Å; A107-K110 VanDerWaalsContact O-N 3.08Å; A107-I140 VanDerWaalsContact C-CD1 3.48Å; A107-I140 HydrophobicContact CB-CD1 3.96Å; A107-I140 HydrophobicContact CB-CG1 4.34Å; A107-I140 HydrophobicContact CB-CG2 3.75Å; A107-I140 WeakPolarHBondContact O-CD1 3.41Å
108	M	77.8	Confident	74	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.02	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-31.9	177.6	-67.7	-179.1	101.2	0	0	111.8	C88 F92 G104 I105 K110 C111 C112 L137 L161 A162 V165	C88-M108 PolarHBondContact SG-O 2.94Å; C88-M108 VanDerWaalsContact SG-O 3.41Å; F92-M108 HydrophobicContact CZ-SD 4.35Å; G104-M108 WeakPolarHBondContact O-CG 3.46Å; G104-M108 PolarHBondContact O-N 3.2Å; I105-M108 PolarHBondContact O-N 3.22Å; M108-K110 PolarHBondContact O-N 3.37Å; M108-C111 WeakPolarHBondContact O-CB 3.31Å; M108-C111 PolarHBondContact O-N 3.28Å; M108-C112 PolarHBondContact O-N 3.47Å; M108-C112 VanDerWaalsContact O-N 3.15Å; M108-L137 HydrophobicContact CB-CD2 4.17Å; M108-L137 HydrophobicContact CE-CD1 4.46Å; M108-L137 HydrophobicContact CE-CD2 3.66Å; M108-L137 HydrophobicContact CE-CG 4.49Å; M108-L137 HydrophobicContact CG-CD2 4.04Å; M108-L161 HydrophobicContact CE-CD2 4.18Å; M108-L161 HydrophobicContact CE-CG 4.01Å; M108-L161 HydrophobicContact SD-CD2 3.67Å; M108-L161 HydrophobicContact SD-CG 4.17Å; M108-A162 HydrophobicContact CE-CB 4.24Å; M108-V165 HydrophobicContact CE-CG2 4.2Å
109	T	83.2	Confident	76	Confident	43 Å²	43	49.9 Å²	49.9	26%	0.264	29%	0.293	S	S	.	.	H	α-helix	trans	-54.8	-37.6	172.8	-62.2	0	0	0	0	111.6	I105 P106 A107 C111 C112 N113	I105-T109 WeakPolarHBondContact O-CB 3.26Å; I105-T109 PolarHBondContact O-N 2.76Å; I105-T109 PolarHBondContact O-OG1 3.12Å; P106-T109 WeakPolarHBondContact O-CB 3.26Å; A107-T109 PolarHBondContact O-N 3.41Å; T109-C111 VanDerWaalsContact C-N 3.31Å; T109-C111 PolarHBondContact O-N 3.43Å; T109-C112 PolarHBondContact O-N 3.23Å; T109-N113 VanDerWaalsContact O-CG 3.28Å; T109-N113 PolarHBondContact O-N 2.87Å; T109-N113 PolarHBondContact O-OD1 3.43Å
110	K	87.4	Confident	78.1	Confident	135 Å²	135	47.9 Å²	47.9	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-60.9	-39.2	174.8	-172.4	-177.7	177	-177.8	0	112.2	A107 M108 N113 Q114	A107-K110 VanDerWaalsContact O-CB 3.22Å; A107-K110 WeakPolarHBondContact O-CB 3.46Å; A107-K110 PolarHBondContact O-N 3.39Å; A107-K110 VanDerWaalsContact O-N 3.08Å; M108-K110 PolarHBondContact O-N 3.37Å; K110-N113 PolarHBondContact O-N 2.85Å; K110-Q114 WeakPolarHBondContact O-CG 3.5Å; K110-Q114 PolarHBondContact O-N 2.79Å; K110-Q114 VanDerWaalsContact O-N 3.11Å
111	C	92.1	Very high	80.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-68	-40.4	177.7	-60.9	0	0	0	0	111.7	M108 T109 N113 Q114 L115 F133 C136 L137 I140	M108-C111 WeakPolarHBondContact O-CB 3.31Å; M108-C111 PolarHBondContact O-N 3.28Å; T109-C111 VanDerWaalsContact C-N 3.31Å; T109-C111 PolarHBondContact O-N 3.43Å; C111-N113 VanDerWaalsContact C-N 3.31Å; C111-N113 PolarHBondContact O-N 3.36Å; C111-Q114 PolarHBondContact O-N 3.07Å; C111-L115 PolarHBondContact O-N 3.26Å; C111-F133 HydrophobicContact CB-CD2 3.79Å; C111-F133 HydrophobicContact CB-CE2 3.67Å; C111-F133 WeakPolarHBondContact O-CD2 3.37Å; C111-C136 WeakPolarHBondContact CA-SG 2.98Å; C111-C136 HydrophobicContact CB-CB 3.75Å; C111-C136 WeakPolarHBondContact CB-SG 3.32Å; C111-C136 WeakPolarHBondContact SG-CB 3.49Å; C111-C136 CovalentContact SG-SG 2.03Å; C111-C136 PolarHBondContact SG-SG 3.08Å; C111-L137 HydrophobicContact CB-CD2 3.79Å; C111-L137 HydrophobicContact CB-CG 4.39Å; C111-I140 WeakPolarHBondContact SG-CD1 3.01Å
112	C	90.5	Very high	82.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-39.8	175.2	-65.5	0	0	0	0	111.5	C88 M108 T109 Q114 L115 D116	C88-C112 WeakPolarHBondContact CA-SG 3.28Å; C88-C112 HydrophobicContact CB-CB 3.83Å; C88-C112 WeakPolarHBondContact CB-SG 3.25Å; C88-C112 WeakPolarHBondContact SG-CB 3.46Å; C88-C112 CovalentContact SG-SG 2Å; C88-C112 PolarHBondContact SG-SG 2.9Å; M108-C112 PolarHBondContact O-N 3.47Å; M108-C112 VanDerWaalsContact O-N 3.15Å; T109-C112 PolarHBondContact O-N 3.23Å; C112-Q114 VanDerWaalsContact C-N 3.29Å; C112-Q114 PolarHBondContact O-N 2.78Å; C112-L115 WeakPolarHBondContact O-CB 3.38Å; C112-L115 PolarHBondContact O-N 3.19Å; C112-L115 VanDerWaalsContact O-N 3.08Å; C112-D116 PolarHBondContact O-N 2.85Å
113	N	90.3	Very high	84.2	Confident	47 Å²	47	44.8 Å²	44.8	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-38.6	175.6	-68.4	-9.6	0	0	0	112.6	P85 G87 T109 K110 C111 L115 V117	P85-N113 HydrophobicContact CB-CB 3.46Å; P85-N113 VanDerWaalsContact CB-CB 3.46Å; P85-N113 VanDerWaalsContact CB-OD1 3.24Å; P85-N113 WeakPolarHBondContact CB-OD1 3.4Å; P85-N113 HydrophobicContact CG-CB 4.18Å; G87-N113 WeakPolarHBondContact CA-OD1 3.46Å; G87-N113 PolarHBondContact N-OD1 3.41Å; T109-N113 VanDerWaalsContact O-CG 3.28Å; T109-N113 PolarHBondContact O-N 2.87Å; T109-N113 PolarHBondContact O-OD1 3.43Å; K110-N113 PolarHBondContact O-N 2.85Å; C111-N113 VanDerWaalsContact C-N 3.31Å; C111-N113 PolarHBondContact O-N 3.36Å; N113-L115 VanDerWaalsContact C-N 3.35Å; N113-V117 VanDerWaalsContact O-CG2 3.32Å; N113-V117 WeakPolarHBondContact O-CG2 3.06Å; N113-V117 PolarHBondContact O-N 2.98Å
114	Q	92.9	Very high	86.3	Confident	101 Å²	101	39.3 Å²	39.3	47%	0.472	24%	0.236	S	C	.	.	H	α-helix	trans	-68.1	-35.3	174.7	-70.8	175.9	-3.2	0	0	112.5	K110 C111 C112 C118 C136	K110-Q114 WeakPolarHBondContact O-CG 3.5Å; K110-Q114 PolarHBondContact O-N 2.79Å; K110-Q114 VanDerWaalsContact O-N 3.11Å; C111-Q114 PolarHBondContact O-N 3.07Å; C112-Q114 VanDerWaalsContact C-N 3.29Å; C112-Q114 PolarHBondContact O-N 2.78Å; Q114-C118 WeakPolarHBondContact O-CB 3.11Å; Q114-C118 PolarHBondContact O-N 3.26Å; Q114-C118 VanDerWaalsContact O-N 3.07Å; Q114-C136 PolarHBondContact OE1-SG 3.34Å
115	L	93.3	Very high	88	Confident	3 Å²	3	42 Å²	42	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-48.3	175.1	177.2	66.1	0	0	0	110.9	Y91 C111 C112 N113 V117 C118 Y119 C129 F133 V169	Y91-L115 HydrophobicContact CE2-CD2 4.21Å; C111-L115 PolarHBondContact O-N 3.26Å; C112-L115 WeakPolarHBondContact O-CB 3.38Å; C112-L115 PolarHBondContact O-N 3.19Å; C112-L115 VanDerWaalsContact O-N 3.08Å; N113-L115 VanDerWaalsContact C-N 3.35Å; L115-V117 VanDerWaalsContact C-N 3.33Å; L115-V117 PolarHBondContact O-N 3.42Å; L115-C118 CarbonylContact O-C 3.2Å; L115-C118 WeakPolarHBondContact O-CA 3.44Å; L115-C118 WeakPolarHBondContact O-CB 3.12Å; L115-C118 PolarHBondContact O-N 2.92Å; L115-Y119 HydrophobicContact CD1-CD1 3.92Å; L115-Y119 HydrophobicContact CD1-CE1 3.58Å; L115-Y119 HydrophobicContact CD1-CE2 4.29Å; L115-Y119 HydrophobicContact CD1-CG 4.47Å; L115-Y119 HydrophobicContact CG-CD2 4.48Å; L115-Y119 HydrophobicContact CG-CE1 4.4Å; L115-Y119 HydrophobicContact CG-CE2 4.33Å; L115-Y119 PolarHBondContact O-N 3.05Å; L115-C129 HydrophobicContact CD1-CB 4.05Å; L115-F133 HydrophobicContact CB-CB 4.44Å; L115-F133 HydrophobicContact CB-CD2 3.96Å; L115-F133 HydrophobicContact CB-CG 4.34Å; L115-F133 HydrophobicContact CD1-CB 4.1Å; L115-F133 HydrophobicContact CD1-CG 4.47Å; L115-F133 HydrophobicContact CD2-CD1 4.28Å; L115-F133 HydrophobicContact CD2-CD2 4.18Å; L115-F133 HydrophobicContact CD2-CE1 4.5Å; L115-F133 HydrophobicContact CD2-CE2 4.4Å; L115-F133 HydrophobicContact CD2-CG 4.11Å; L115-V169 HydrophobicContact CD2-CG1 3.48Å; L115-V169 VanDerWaalsContact CD2-CG1 3.48Å; L115-V169 HydrophobicContact CD2-CG2 4.31Å
116	D	92.5	Very high	89.6	Confident	29 Å²	29	40 Å²	40	16%	0.155	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-45.8	179.8	-68.5	-15.2	0	0	0	110.9	Y91 C112 C118 Y119 D120	Y91-D116 PolarHBondContact OH-OD1 3.39Å; C112-D116 PolarHBondContact O-N 2.85Å; D116-C118 VanDerWaalsContact C-N 3.28Å; D116-C118 PolarHBondContact O-N 3.49Å; D116-Y119 PolarHBondContact O-N 2.97Å; D116-D120 WeakPolarHBondContact O-CB 3.41Å; D116-D120 PolarHBondContact O-N 2.95Å
117	V	93	Very high	90.9	Very high	73 Å²	73	39 Å²	39	44%	0.442	22%	0.223	S	C	.	.	H	α-helix	trans	-59.7	-39.1	173.8	172.5	0	0	0	0	111.9	P85 N113 L115 T121	P85-V117 HydrophobicContact CG-CG2 4.1Å; N113-V117 VanDerWaalsContact O-CG2 3.32Å; N113-V117 WeakPolarHBondContact O-CG2 3.06Å; N113-V117 PolarHBondContact O-N 2.98Å; L115-V117 VanDerWaalsContact C-N 3.33Å; L115-V117 PolarHBondContact O-N 3.42Å; V117-T121 PolarHBondContact O-N 3.48Å; V117-T121 VanDerWaalsContact O-N 3.16Å; V117-T121 PolarHBondContact O-OG1 3.33Å
118	C	95.4	Very high	92.1	Very high	26 Å²	26	46 Å²	46	18%	0.176	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-40.6	177.3	-163.6	0	0	0	0	111.7	Q114 L115 D116 T121 A124 C129	Q114-C118 WeakPolarHBondContact O-CB 3.11Å; Q114-C118 PolarHBondContact O-N 3.26Å; Q114-C118 VanDerWaalsContact O-N 3.07Å; L115-C118 CarbonylContact O-C 3.2Å; L115-C118 WeakPolarHBondContact O-CA 3.44Å; L115-C118 WeakPolarHBondContact O-CB 3.12Å; L115-C118 PolarHBondContact O-N 2.92Å; D116-C118 VanDerWaalsContact C-N 3.28Å; D116-C118 PolarHBondContact O-N 3.49Å; C118-T121 WeakPolarHBondContact O-CB 3.36Å; C118-T121 PolarHBondContact O-N 3.49Å; C118-A124 WeakPolarHBondContact O-CB 3.3Å; C118-C129 VanDerWaalsContact C-SG 3.59Å; C118-C129 HydrophobicContact CB-CB 3.74Å; C118-C129 WeakPolarHBondContact CB-SG 3.46Å; C118-C129 WeakPolarHBondContact SG-CA 3.31Å; C118-C129 WeakPolarHBondContact SG-CB 3.22Å; C118-C129 CovalentContact SG-SG 2.04Å; C118-C129 PolarHBondContact SG-SG 2.99Å
119	Y	94.7	Very high	92.9	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-69.1	-35.3	176.7	-79.9	6.3	0	0	0	113	L115 D116 T121 K126 C129 D130 F177 S180 Q181	L115-Y119 HydrophobicContact CD1-CD1 3.92Å; L115-Y119 HydrophobicContact CD1-CE1 3.58Å; L115-Y119 HydrophobicContact CD1-CE2 4.29Å; L115-Y119 HydrophobicContact CD1-CG 4.47Å; L115-Y119 HydrophobicContact CG-CD2 4.48Å; L115-Y119 HydrophobicContact CG-CE1 4.4Å; L115-Y119 HydrophobicContact CG-CE2 4.33Å; L115-Y119 PolarHBondContact O-N 3.05Å; D116-Y119 PolarHBondContact O-N 2.97Å; Y119-T121 PolarHBondContact O-N 3.47Å; Y119-K126 HydrophobicContact CE1-CG 3.95Å; Y119-C129 HydrophobicContact CD1-CB 3.81Å; Y119-C129 HydrophobicContact CE1-CB 3.72Å; Y119-D130 PolarHBondContact OH-OD1 3.13Å; Y119-F177 HydrophobicContact CD1-CB 4.29Å; Y119-F177 AromaticContact CD1-CD2 3.54Å; Y119-F177 HydrophobicContact CD1-CD2 3.54Å; Y119-F177 HydrophobicContact CD1-CE2 4.38Å; Y119-F177 HydrophobicContact CD1-CG 4.35Å; Y119-F177 HydrophobicContact CD2-CB 3.9Å; Y119-F177 HydrophobicContact CE1-CB 4.14Å; Y119-F177 AromaticContact CE1-CD2 3.82Å; Y119-F177 HydrophobicContact CE1-CD2 3.82Å; Y119-F177 HydrophobicContact CE1-CG 4.33Å; Y119-F177 HydrophobicContact CE2-CB 3.78Å; Y119-F177 HydrophobicContact CG-CB 4.13Å; Y119-F177 AromaticContact CG-CD2 3.88Å; Y119-F177 HydrophobicContact CG-CD2 3.88Å; Y119-S180 VanDerWaalsContact O-CB 3.25Å; Y119-S180 WeakPolarHBondContact O-CB 3.41Å; Y119-Q181 PolarHBondContact O-NE2 3.35Å
120	D	93.4	Very high	93.5	Very high	14 Å²	14	43.8 Å²	43.8	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-76	-9.8	175	-83	6.5	0	0	0	113	A82 Q83 D116 C122 S180 A184	A82-D120 HydrophobicContact CB-CB 4.14Å; Q83-D120 PolarHBondContact N-OD2 2.94Å; Q83-D120 VanDerWaalsContact N-OD2 3.13Å; D116-D120 WeakPolarHBondContact O-CB 3.41Å; D116-D120 PolarHBondContact O-N 2.95Å; D120-C122 PolarHBondContact O-N 3.45Å; D120-S180 WeakPolarHBondContact OD1-CB 2.96Å; D120-S180 PolarHBondContact OD1-OG 3.5Å; D120-A184 WeakPolarHBondContact O-CB 3.28Å
121	T	94.9	Very high	93.9	Very high	76 Å²	76	39.4 Å²	39.4	47%	0.466	22%	0.217	S	C	.	.	S	Bend	trans	-77.7	111.9	174.8	-60.7	0	0	0	0	109.7	V117 C118 Y119 G123 A124 Q181	V117-T121 PolarHBondContact O-N 3.48Å; V117-T121 VanDerWaalsContact O-N 3.16Å; V117-T121 PolarHBondContact O-OG1 3.33Å; C118-T121 WeakPolarHBondContact O-CB 3.36Å; C118-T121 PolarHBondContact O-N 3.49Å; Y119-T121 PolarHBondContact O-N 3.47Å; T121-G123 PolarHBondContact O-N 3.4Å; T121-A124 WeakPolarHBondContact O-CB 3.48Å; T121-A124 PolarHBondContact O-N 3.21Å; T121-Q181 PolarHBondContact O-NE2 3.36Å
122	C	95.6	Very high	94.1	Very high	25 Å²	25	46 Å²	46	17%	0.169	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	132.4	-179.3	178.1	0	0	0	0	112.7	M75 P76 D120 A124 A184 C185	M75-C122 PolarHBondContact O-SG 3.36Å; M75-C122 VanDerWaalsContact O-SG 3.36Å; P76-C122 HydrophobicContact CB-CB 4.28Å; P76-C122 HydrophobicContact CG-CB 4.28Å; D120-C122 PolarHBondContact O-N 3.45Å; C122-A124 PolarHBondContact O-N 3.2Å; C122-A184 HydrophobicContact CB-CB 4.27Å; C122-C185 WeakPolarHBondContact CA-SG 3.4Å; C122-C185 HydrophobicContact CB-CB 4.14Å; C122-C185 WeakPolarHBondContact CB-SG 3.45Å; C122-C185 WeakPolarHBondContact SG-CA 3.44Å; C122-C185 WeakPolarHBondContact SG-CB 3.45Å; C122-C185 CovalentContact SG-SG 2.03Å; C122-C185 PolarHBondContact SG-SG 3.26Å
123	G	94.2	Very high	94.3	Very high	47 Å²	47	46.2 Å²	46.2	49%	0.485	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	6.7	-179.7	0	0	0	0	0	114	T121 C185	T121-G123 PolarHBondContact O-N 3.4Å; G123-C185 PolarHBondContact N-SG 2.8Å
124	A	95.6	Very high	94.6	Very high	20 Å²	20	47.8 Å²	47.8	17%	0.165	25%	0.249	C	C	.	.			trans	-59.9	151.3	173.1	0	0	0	0	0	111.3	C118 T121 C122 F177	C118-A124 WeakPolarHBondContact O-CB 3.3Å; T121-A124 WeakPolarHBondContact O-CB 3.48Å; T121-A124 PolarHBondContact O-N 3.21Å; C122-A124 PolarHBondContact O-N 3.2Å; A124-F177 VanDerWaalsContact O-CZ 3.3Å; A124-F177 WeakPolarHBondContact O-CZ 3.49Å
125	N	94	Very high	94.8	Very high	63 Å²	63	52.7 Å²	52.7	34%	0.337	26%	0.264	S	S	.	.			trans	-95.9	117.6	175.3	180	-76.8	0	0	0	109.3	Y127 R128 C129	N125-Y127 VanDerWaalsContact C-N 3.32Å; N125-Y127 PolarHBondContact O-N 3.45Å; N125-Y127 WeakPolarHBondContact OD1-CB 3.41Å; N125-Y127 PolarHBondContact OD1-N 2.93Å; N125-Y127 VanDerWaalsContact OD1-N 3.09Å; N125-R128 HydrophobicContact CB-CB 4.16Å; N125-R128 HydrophobicContact CB-CG 4Å; N125-R128 PolarHBondContact O-N 3.12Å; N125-R128 PolarHBondContact OD1-N 3.31Å; N125-C129 PolarHBondContact O-N 3.39Å
126	K	93.6	Very high	94.9	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.022	27%	0.27	C	S	.	.	H	α-helix	trans	-50	-50.7	-179.7	-175.2	-172.3	177.2	-72.6	0	112.2	C64 Y119 R128 C129 D130 W170 C174 F177	C64-K126 HydrophobicContact CB-CD 3.58Å; C64-K126 VanDerWaalsContact SG-CD 3.56Å; Y119-K126 HydrophobicContact CE1-CG 3.95Å; K126-R128 VanDerWaalsContact C-N 3.26Å; K126-R128 PolarHBondContact O-N 3.01Å; K126-C129 CarbonylContact O-C 3.04Å; K126-C129 WeakPolarHBondContact O-CA 3.41Å; K126-C129 WeakPolarHBondContact O-CB 3.48Å; K126-C129 PolarHBondContact O-N 3.34Å; K126-D130 IonicContact NZ-OD2 3.38Å; K126-D130 PolarHBondContact NZ-OD2 3.21Å; K126-D130 VanDerWaalsContact O-CG 3.31Å; K126-D130 PolarHBondContact O-N 2.79Å; K126-W170 PolarHBondContact NZ-O 3.17Å; K126-C174 HydrophobicContact CD-CB 4.45Å; K126-F177 HydrophobicContact CB-CD1 3.91Å; K126-F177 HydrophobicContact CB-CD2 3.98Å; K126-F177 HydrophobicContact CB-CE1 3.89Å; K126-F177 HydrophobicContact CB-CE2 3.96Å; K126-F177 HydrophobicContact CB-CG 3.95Å; K126-F177 HydrophobicContact CB-CZ 3.92Å; K126-F177 HydrophobicContact CD-CB 4.34Å; K126-F177 HydrophobicContact CD-CD1 4.23Å; K126-F177 HydrophobicContact CD-CG 4.27Å; K126-F177 HydrophobicContact CG-CB 4.35Å; K126-F177 HydrophobicContact CG-CD1 4.29Å; K126-F177 HydrophobicContact CG-CD2 4.3Å; K126-F177 HydrophobicContact CG-CG 4.04Å
127	Y	93.1	Very high	94.9	Very high	70 Å²	70	52.2 Å²	52.2	28%	0.275	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-34.9	-178.7	-60.1	-67.5	0	0	0	113.3	G62 V63 C64 N125 A131 W170	G62-Y127 PolarHBondContact O-OH 3.21Å; V63-Y127 WeakPolarHBondContact CA-OH 3.41Å; V63-Y127 HydrophobicContact CG1-CE2 4.08Å; C64-Y127 PolarHBondContact N-OH 3.24Å; N125-Y127 VanDerWaalsContact C-N 3.32Å; N125-Y127 PolarHBondContact O-N 3.45Å; N125-Y127 WeakPolarHBondContact OD1-CB 3.41Å; N125-Y127 PolarHBondContact OD1-N 2.93Å; N125-Y127 VanDerWaalsContact OD1-N 3.09Å; Y127-A131 VanDerWaalsContact O-CB 3.29Å; Y127-A131 WeakPolarHBondContact O-CB 3.43Å; Y127-A131 PolarHBondContact O-N 2.88Å; Y127-W170 HydrophobicContact CD1-CE3 4.42Å; Y127-W170 AromaticContact CD1-CH2 3.18Å; Y127-W170 HydrophobicContact CD1-CH2 3.18Å; Y127-W170 AromaticContact CD1-CZ2 3.96Å; Y127-W170 HydrophobicContact CD1-CZ2 3.96Å; Y127-W170 AromaticContact CD1-CZ3 3.45Å; Y127-W170 HydrophobicContact CD1-CZ3 3.45Å; Y127-W170 VanDerWaalsContact CD1-CZ3 3.45Å; Y127-W170 AromaticContact CE1-CH2 3.45Å; Y127-W170 HydrophobicContact CE1-CH2 3.45Å; Y127-W170 VanDerWaalsContact CE1-CH2 3.45Å; Y127-W170 AromaticContact CE1-CZ2 3.72Å; Y127-W170 HydrophobicContact CE1-CZ2 3.72Å; Y127-W170 HydrophobicContact CE1-CZ3 4.04Å; Y127-W170 HydrophobicContact CG-CH2 4.38Å
128	R	95.6	Very high	94.9	Very high	182 Å²	182	50.8 Å²	50.8	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-71.8	-36.8	174.2	-64.5	-172.1	77.6	179.3	4.9	112.1	N125 K126 K132	N125-R128 HydrophobicContact CB-CB 4.16Å; N125-R128 HydrophobicContact CB-CG 4Å; N125-R128 PolarHBondContact O-N 3.12Å; N125-R128 PolarHBondContact OD1-N 3.31Å; K126-R128 VanDerWaalsContact C-N 3.26Å; K126-R128 PolarHBondContact O-N 3.01Å; R128-K132 WeakPolarHBondContact O-CG 3.47Å; R128-K132 PolarHBondContact O-N 3.31Å
129	C	96.1	Very high	94.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-48.6	173	-65.4	0	0	0	0	110.8	L115 C118 Y119 N125 K126 A131 K132 F133	L115-C129 HydrophobicContact CD1-CB 4.05Å; C118-C129 VanDerWaalsContact C-SG 3.59Å; C118-C129 HydrophobicContact CB-CB 3.74Å; C118-C129 WeakPolarHBondContact CB-SG 3.46Å; C118-C129 WeakPolarHBondContact SG-CA 3.31Å; C118-C129 WeakPolarHBondContact SG-CB 3.22Å; C118-C129 CovalentContact SG-SG 2.04Å; C118-C129 PolarHBondContact SG-SG 2.99Å; Y119-C129 HydrophobicContact CD1-CB 3.81Å; Y119-C129 HydrophobicContact CE1-CB 3.72Å; N125-C129 PolarHBondContact O-N 3.39Å; K126-C129 CarbonylContact O-C 3.04Å; K126-C129 WeakPolarHBondContact O-CA 3.41Å; K126-C129 WeakPolarHBondContact O-CB 3.48Å; K126-C129 PolarHBondContact O-N 3.34Å; C129-A131 PolarHBondContact O-N 3.19Å; C129-K132 WeakPolarHBondContact O-CB 3.42Å; C129-K132 PolarHBondContact O-N 3.22Å; C129-F133 PolarHBondContact O-N 3.33Å
130	D	94.8	Very high	94.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-41.1	179.3	-66.6	-10.5	0	0	0	112.4	Y119 K126 F133 R134 F166 W170	Y119-D130 PolarHBondContact OH-OD1 3.13Å; K126-D130 IonicContact NZ-OD2 3.38Å; K126-D130 PolarHBondContact NZ-OD2 3.21Å; K126-D130 VanDerWaalsContact O-CG 3.31Å; K126-D130 PolarHBondContact O-N 2.79Å; D130-F133 WeakPolarHBondContact O-CB 3.45Å; D130-F133 PolarHBondContact O-N 3.42Å; D130-R134 PolarHBondContact O-N 3.34Å; D130-F166 HydrophobicContact CB-CE2 4.23Å; D130-F166 WeakPolarHBondContact O-CE2 3.42Å; D130-W170 HydrophobicContact CB-CE3 3.84Å; D130-W170 HydrophobicContact CB-CZ3 4.15Å
131	A	96.2	Very high	94.1	Very high	42 Å²	42	53.1 Å²	53.1	35%	0.347	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-48.9	175.4	0	0	0	0	0	110.6	Y127 C129 F133 R134 W135	Y127-A131 VanDerWaalsContact O-CB 3.29Å; Y127-A131 WeakPolarHBondContact O-CB 3.43Å; Y127-A131 PolarHBondContact O-N 2.88Å; C129-A131 PolarHBondContact O-N 3.19Å; A131-F133 VanDerWaalsContact C-N 3.26Å; A131-F133 PolarHBondContact O-N 3.34Å; A131-R134 WeakPolarHBondContact O-CB 3.22Å; A131-R134 PolarHBondContact O-N 3.09Å; A131-W135 PolarHBondContact O-N 2.95Å
132	K	96.9	Very high	93.8	Very high	139 Å²	139	53 Å²	53	60%	0.604	27%	0.269	S	S	*	.	H	α-helix	trans	-59.4	-39.3	176.2	-74.7	179.3	177.8	-176.5	0	112	R128 C129 W135 C136	R128-K132 WeakPolarHBondContact O-CG 3.47Å; R128-K132 PolarHBondContact O-N 3.31Å; C129-K132 WeakPolarHBondContact O-CB 3.42Å; C129-K132 PolarHBondContact O-N 3.22Å; K132-W135 PolarHBondContact O-N 3.25Å; K132-C136 WeakPolarHBondContact O-CB 3.15Å; K132-C136 PolarHBondContact O-N 3.42Å
133	F	95.1	Very high	93.4	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-47.3	175.9	176.8	-113.6	0	0	0	111.8	C111 L115 C129 D130 A131 W135 C136 L137 V165 F166 V169	C111-F133 HydrophobicContact CB-CD2 3.79Å; C111-F133 HydrophobicContact CB-CE2 3.67Å; C111-F133 WeakPolarHBondContact O-CD2 3.37Å; L115-F133 HydrophobicContact CB-CB 4.44Å; L115-F133 HydrophobicContact CB-CD2 3.96Å; L115-F133 HydrophobicContact CB-CG 4.34Å; L115-F133 HydrophobicContact CD1-CB 4.1Å; L115-F133 HydrophobicContact CD1-CG 4.47Å; L115-F133 HydrophobicContact CD2-CD1 4.28Å; L115-F133 HydrophobicContact CD2-CD2 4.18Å; L115-F133 HydrophobicContact CD2-CE1 4.5Å; L115-F133 HydrophobicContact CD2-CE2 4.4Å; L115-F133 HydrophobicContact CD2-CG 4.11Å; C129-F133 PolarHBondContact O-N 3.33Å; D130-F133 WeakPolarHBondContact O-CB 3.45Å; D130-F133 PolarHBondContact O-N 3.42Å; A131-F133 VanDerWaalsContact C-N 3.26Å; A131-F133 PolarHBondContact O-N 3.34Å; F133-W135 VanDerWaalsContact C-N 3.32Å; F133-W135 PolarHBondContact O-N 3.15Å; F133-C136 WeakPolarHBondContact O-CB 3.08Å; F133-C136 PolarHBondContact O-N 3.16Å; F133-C136 VanDerWaalsContact O-N 3.13Å; F133-L137 HydrophobicContact CD1-CD1 4.14Å; F133-L137 HydrophobicContact CD2-CG 4.46Å; F133-L137 HydrophobicContact CE1-CD1 3.55Å; F133-L137 HydrophobicContact CE1-CG 4.3Å; F133-L137 HydrophobicContact CE2-CD1 4.17Å; F133-L137 HydrophobicContact CE2-CD2 4.03Å; F133-L137 HydrophobicContact CE2-CG 4.08Å; F133-L137 HydrophobicContact CZ-CD1 3.58Å; F133-L137 HydrophobicContact CZ-CD2 4.08Å; F133-L137 HydrophobicContact CZ-CG 4.01Å; F133-L137 WeakPolarHBondContact O-CG 3.46Å; F133-L137 PolarHBondContact O-N 3.37Å; F133-V165 HydrophobicContact CE1-CG1 4.06Å; F133-V165 HydrophobicContact CZ-CG1 3.75Å; F133-F166 HydrophobicContact CD1-CD2 4.29Å; F133-V169 HydrophobicContact CD1-CB 4.29Å; F133-V169 HydrophobicContact CD1-CG1 4.04Å; F133-V169 HydrophobicContact CD1-CG2 4.39Å; F133-V169 HydrophobicContact CE1-CB 3.91Å; F133-V169 HydrophobicContact CE1-CG1 4.09Å; F133-V169 HydrophobicContact CE1-CG2 3.61Å; F133-V169 HydrophobicContact CZ-CG2 4.07Å
134	R	95.3	Very high	92.8	Very high	81 Å²	81	54.4 Å²	54.4	31%	0.306	26%	0.263	S	S	.	.	H	α-helix	trans	-54.3	-48.8	173.1	-173.4	174.6	176.8	75.9	10.9	111.8	D130 A131 C136 L137 H138 D163 F166	D130-R134 PolarHBondContact O-N 3.34Å; A131-R134 WeakPolarHBondContact O-CB 3.22Å; A131-R134 PolarHBondContact O-N 3.09Å; R134-C136 VanDerWaalsContact C-N 3.32Å; R134-C136 PolarHBondContact O-N 2.91Å; R134-L137 PolarHBondContact O-N 2.75Å; R134-H138 PolarHBondContact NH2-NE2 2.81Å; R134-H138 VanDerWaalsContact NH2-NE2 3.15Å; R134-H138 PolarHBondContact O-CD2 2.02Å; R134-H138 VanDerWaalsContact O-CD2 3.31Å; R134-H138 PolarHBondContact O-N 2.98Å; R134-H138 VanDerWaalsContact O-N 3.12Å; R134-D163 IonicContact CZ-OD1 3.71Å; R134-D163 VanDerWaalsContact CZ-OD1 3.25Å; R134-D163 IonicContact NH1-OD1 3.14Å; R134-D163 PolarHBondContact NH1-OD1 3.4Å; R134-D163 IonicContact NH2-OD1 3.68Å; R134-D163 PolarHBondContact NH2-OD1 2.65Å; R134-F166 HydrophobicContact CB-CD2 3.56Å; R134-F166 HydrophobicContact CB-CE2 3.67Å; R134-F166 HydrophobicContact CB-CG 4.14Å; R134-F166 HydrophobicContact CB-CZ 4.31Å; R134-F166 HydrophobicContact CG-CD1 4.41Å; R134-F166 HydrophobicContact CG-CD2 4.06Å; R134-F166 HydrophobicContact CG-CE2 4.26Å; R134-F166 HydrophobicContact CG-CG 4.13Å
135	W	97	Very high	92.1	Very high	203 Å²	203	56.8 Å²	56.8	77%	0.769	27%	0.27	S	S	*	.	H	α-helix	trans	-59.2	-42.4	177.5	-76.5	110	0	0	0	112.1	A131 K132 F133 S139	A131-W135 PolarHBondContact O-N 2.95Å; K132-W135 PolarHBondContact O-N 3.25Å; F133-W135 VanDerWaalsContact C-N 3.32Å; F133-W135 PolarHBondContact O-N 3.15Å; W135-S139 VanDerWaalsContact O-CB 3.3Å; W135-S139 WeakPolarHBondContact O-CB 3.27Å; W135-S139 PolarHBondContact O-N 3.41Å
136	C	95.6	Very high	91.6	Very high	22 Å²	22	63.3 Å²	63.3	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-46.6	177.3	-175.9	0	0	0	0	112	C111 Q114 K132 F133 R134 S139 I140	C111-C136 WeakPolarHBondContact CA-SG 2.98Å; C111-C136 HydrophobicContact CB-CB 3.75Å; C111-C136 WeakPolarHBondContact CB-SG 3.32Å; C111-C136 WeakPolarHBondContact SG-CB 3.49Å; C111-C136 CovalentContact SG-SG 2.03Å; C111-C136 PolarHBondContact SG-SG 3.08Å; Q114-C136 PolarHBondContact OE1-SG 3.34Å; K132-C136 WeakPolarHBondContact O-CB 3.15Å; K132-C136 PolarHBondContact O-N 3.42Å; F133-C136 WeakPolarHBondContact O-CB 3.08Å; F133-C136 PolarHBondContact O-N 3.16Å; F133-C136 VanDerWaalsContact O-N 3.13Å; R134-C136 VanDerWaalsContact C-N 3.32Å; R134-C136 PolarHBondContact O-N 2.91Å; C136-S139 WeakPolarHBondContact O-CB 3.23Å; C136-S139 PolarHBondContact O-N 3.1Å; C136-I140 WeakPolarHBondContact O-CG1 3.35Å; C136-I140 PolarHBondContact O-N 2.76Å
137	L	92.1	Very high	90.9	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-48.8	-179.7	-65.4	179.6	0	0	0	112.2	M108 C111 F133 R134 S139 I140 C141 A162 V165 F166	M108-L137 HydrophobicContact CB-CD2 4.17Å; M108-L137 HydrophobicContact CE-CD1 4.46Å; M108-L137 HydrophobicContact CE-CD2 3.66Å; M108-L137 HydrophobicContact CE-CG 4.49Å; M108-L137 HydrophobicContact CG-CD2 4.04Å; C111-L137 HydrophobicContact CB-CD2 3.79Å; C111-L137 HydrophobicContact CB-CG 4.39Å; F133-L137 HydrophobicContact CD1-CD1 4.14Å; F133-L137 HydrophobicContact CD2-CG 4.46Å; F133-L137 HydrophobicContact CE1-CD1 3.55Å; F133-L137 HydrophobicContact CE1-CG 4.3Å; F133-L137 HydrophobicContact CE2-CD1 4.17Å; F133-L137 HydrophobicContact CE2-CD2 4.03Å; F133-L137 HydrophobicContact CE2-CG 4.08Å; F133-L137 HydrophobicContact CZ-CD1 3.58Å; F133-L137 HydrophobicContact CZ-CD2 4.08Å; F133-L137 HydrophobicContact CZ-CG 4.01Å; F133-L137 WeakPolarHBondContact O-CG 3.46Å; F133-L137 PolarHBondContact O-N 3.37Å; R134-L137 PolarHBondContact O-N 2.75Å; L137-S139 VanDerWaalsContact C-N 3.32Å; L137-S139 PolarHBondContact O-N 3.3Å; L137-I140 WeakPolarHBondContact O-CB 3.42Å; L137-I140 PolarHBondContact O-N 3.03Å; L137-C141 PolarHBondContact O-N 3.12Å; L137-A162 HydrophobicContact CB-CB 3.83Å; L137-A162 HydrophobicContact CD1-CB 4.45Å; L137-A162 WeakPolarHBondContact CD1-O 3.24Å; L137-V165 HydrophobicContact CD1-CB 4.23Å; L137-V165 HydrophobicContact CD1-CG1 4.12Å; L137-F166 HydrophobicContact CD1-CB 4.29Å
138	H	92.7	Very high	90.1	Very high	43 Å²	43	69 Å²	69	20%	0.199	33%	0.329	C	S	.	.	H	α-helix	trans	-69.2	-30.6	178.8	-72.9	-71.3	0	0	0	112.8	R134 I140 C141 S142 D159 D163	R134-H138 PolarHBondContact NH2-NE2 2.81Å; R134-H138 VanDerWaalsContact NH2-NE2 3.15Å; R134-H138 PolarHBondContact O-CD2 2.02Å; R134-H138 VanDerWaalsContact O-CD2 3.31Å; R134-H138 PolarHBondContact O-N 2.98Å; R134-H138 VanDerWaalsContact O-N 3.12Å; H138-I140 VanDerWaalsContact C-N 3.26Å; H138-I140 PolarHBondContact O-N 3.32Å; H138-C141 PolarHBondContact O-N 3.34Å; H138-S142 WeakPolarHBondContact O-CB 2.98Å; H138-S142 PolarHBondContact O-N 2.82Å; H138-D159 IonicContact CE1-OD1 2.68Å; H138-D159 IonicContact ND1-OD1 2.91Å; H138-D159 PolarHBondContact ND1-OD1 3.27Å; H138-D163 IonicContact CE1-OD1 2.86Å; H138-D163 IonicContact NE2-OD1 3.68Å; H138-D163 PolarHBondContact NE2-OD1 3.33Å
139	S	92.5	Very high	88.8	Confident	65 Å²	65	62 Å²	62	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-41.8	172.4	-172	0	0	0	0	110.9	W135 C136 L137 S142 D143	W135-S139 VanDerWaalsContact O-CB 3.3Å; W135-S139 WeakPolarHBondContact O-CB 3.27Å; W135-S139 PolarHBondContact O-N 3.41Å; C136-S139 WeakPolarHBondContact O-CB 3.23Å; C136-S139 PolarHBondContact O-N 3.1Å; L137-S139 VanDerWaalsContact C-N 3.32Å; L137-S139 PolarHBondContact O-N 3.3Å; S139-S142 PolarHBondContact O-N 3.46Å; S139-D143 PolarHBondContact O-N 2Å
140	I	88.1	Confident	87.3	Confident	25 Å²	25	70.9 Å²	70.9	13%	0.128	35%	0.352	C	S	.	.	H	α-helix	trans	-63.8	-43.6	176.3	-67.3	165.5	0	0	0	111	A107 C111 C136 L137 H138 S142 D143 L144	A107-I140 VanDerWaalsContact C-CD1 3.48Å; A107-I140 HydrophobicContact CB-CD1 3.96Å; A107-I140 HydrophobicContact CB-CG1 4.34Å; A107-I140 HydrophobicContact CB-CG2 3.75Å; A107-I140 WeakPolarHBondContact O-CD1 3.41Å; C111-I140 WeakPolarHBondContact SG-CD1 3.01Å; C136-I140 WeakPolarHBondContact O-CG1 3.35Å; C136-I140 PolarHBondContact O-N 2.76Å; L137-I140 WeakPolarHBondContact O-CB 3.42Å; L137-I140 PolarHBondContact O-N 3.03Å; H138-I140 VanDerWaalsContact C-N 3.26Å; H138-I140 PolarHBondContact O-N 3.32Å; I140-S142 VanDerWaalsContact C-N 3.33Å; I140-S142 PolarHBondContact O-N 3.12Å; I140-D143 PolarHBondContact O-N 3.15Å; I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 WeakPolarHBondContact O-CG 3.39Å; I140-L144 PolarHBondContact O-N 3.47Å
141	C	87.9	Confident	86	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.007	37%	0.373	C	S	.	.	H	α-helix	trans	-63.3	-39.6	177.7	-63.8	0	0	0	0	112.5	L137 H138 L144 K145 C158	L137-C141 PolarHBondContact O-N 3.12Å; H138-C141 PolarHBondContact O-N 3.34Å; C141-L144 PolarHBondContact O-N 3Å; C141-K145 PolarHBondContact O-N 3.03Å; C141-C158 WeakPolarHBondContact CA-SG 3.38Å; C141-C158 HydrophobicContact CB-CB 3.71Å; C141-C158 WeakPolarHBondContact CB-SG 3.48Å; C141-C158 WeakPolarHBondContact SG-CB 3.04Å; C141-C158 PolarHBondContact SG-O 3.33Å; C141-C158 VanDerWaalsContact SG-O 3.33Å; C141-C158 CovalentContact SG-SG 2.05Å; C141-C158 PolarHBondContact SG-SG 2.88Å
142	S	88.3	Confident	84.7	Confident	73 Å²	73	76 Å²	76	51%	0.51	38%	0.382	S	S	.	.	H	α-helix	trans	-63.5	-40	172.8	-179.2	0	0	0	0	112.4	H138 S139 I140 K145 R146	H138-S142 WeakPolarHBondContact O-CB 2.98Å; H138-S142 PolarHBondContact O-N 2.82Å; S139-S142 PolarHBondContact O-N 3.46Å; I140-S142 VanDerWaalsContact C-N 3.33Å; I140-S142 PolarHBondContact O-N 3.12Å; S142-K145 WeakPolarHBondContact O-CB 3.47Å; S142-K145 PolarHBondContact O-N 3Å; S142-R146 PolarHBondContact O-N 3.04Å; S142-R146 VanDerWaalsContact O-N 3.13Å
143	D	86	Confident	83.7	Confident	72 Å²	72	75.5 Å²	75.5	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-68.5	-37.3	177	-77	-35.2	0	0	0	112.3	S139 I140 R146 T147	S139-D143 PolarHBondContact O-N 2Å; I140-D143 PolarHBondContact O-N 3.15Å; D143-R146 PolarHBondContact O-N 3.23Å; D143-R146 IonicContact OD1-NH2 3.58Å; D143-T147 WeakPolarHBondContact O-CB 3.34Å; D143-T147 PolarHBondContact O-N 2.96Å; D143-T147 PolarHBondContact O-OG1 3.36Å
144	L	82.1	Confident	82.9	Confident	29 Å²	29	77.5 Å²	77.5	15%	0.152	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-45.5	173.3	-80.2	162.3	0	0	0	111.5	I140 C141 R146 T147 L148	I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 WeakPolarHBondContact O-CG 3.39Å; I140-L144 PolarHBondContact O-N 3.47Å; C141-L144 PolarHBondContact O-N 3Å; L144-R146 VanDerWaalsContact C-N 3.27Å; L144-R146 PolarHBondContact O-N 3.02Å; L144-T147 PolarHBondContact O-N 3.29Å; L144-T147 VanDerWaalsContact O-N 3.09Å; L144-L148 HydrophobicContact CD2-CD1 4.39Å; L144-L148 PolarHBondContact O-N 2.9Å
145	K	81.7	Confident	82.3	Confident	71 Å²	71	75.9 Å²	75.9	31%	0.309	39%	0.394	S	S	.	.	H	α-helix	trans	-53.9	-45.4	173.4	179.6	-162.7	-166.4	142	0	111.5	C141 S142 T147 G149 E155	C141-K145 PolarHBondContact O-N 3.03Å; S142-K145 WeakPolarHBondContact O-CB 3.47Å; S142-K145 PolarHBondContact O-N 3Å; K145-T147 VanDerWaalsContact C-N 3.31Å; K145-T147 PolarHBondContact O-N 3.09Å; K145-G149 CarbonylContact O-C 3.59Å; K145-G149 PolarHBondContact O-N 3.19Å; K145-G149 VanDerWaalsContact O-O 3.12Å; K145-E155 HydrophobicContact CB-CB 4.45Å; K145-E155 HydrophobicContact CB-CG 4.3Å; K145-E155 VanDerWaalsContact CD-CD 3.41Å; K145-E155 HydrophobicContact CD-CG 4.42Å; K145-E155 VanDerWaalsContact CD-OE1 3.31Å; K145-E155 WeakPolarHBondContact CD-OE1 3.4Å; K145-E155 VanDerWaalsContact CD-OE2 3.22Å; K145-E155 WeakPolarHBondContact CD-OE2 3.41Å; K145-E155 WeakPolarHBondContact CE-OE1 3.47Å; K145-E155 WeakPolarHBondContact CE-OE2 3.04Å; K145-E155 HydrophobicContact CG-CG 4.4Å; K145-E155 WeakPolarHBondContact CG-OE2 3.05Å; K145-E155 IonicContact NZ-OE1 3.93Å; K145-E155 PolarHBondContact NZ-OE1 3.48Å; K145-E155 IonicContact NZ-OE2 2.8Å; K145-E155 PolarHBondContact NZ-OE2 3.39Å
146	R	82	Confident	81.7	Confident	199 Å²	199	69 Å²	69	75%	0.751	38%	0.381	S	S	*	.	H	α-helix	trans	-66.2	-34.4	179.5	-171.4	174.5	65.5	138.6	-1.5	112.4	S142 D143 L144	S142-R146 PolarHBondContact O-N 3.04Å; S142-R146 VanDerWaalsContact O-N 3.13Å; D143-R146 PolarHBondContact O-N 3.23Å; D143-R146 IonicContact OD1-NH2 3.58Å; L144-R146 VanDerWaalsContact C-N 3.27Å; L144-R146 PolarHBondContact O-N 3.02Å
147	T	80.1	Confident	81.1	Confident	109 Å²	109	69.8 Å²	69.8	67%	0.669	39%	0.389	S	S	*	.	H	α-helix	trans	-82.9	-41.6	-173.5	-55.4	0	0	0	0	112.9	D143 L144 K145 G149	D143-T147 WeakPolarHBondContact O-CB 3.34Å; D143-T147 PolarHBondContact O-N 2.96Å; D143-T147 PolarHBondContact O-OG1 3.36Å; L144-T147 PolarHBondContact O-N 3.29Å; L144-T147 VanDerWaalsContact O-N 3.09Å; K145-T147 VanDerWaalsContact C-N 3.31Å; K145-T147 PolarHBondContact O-N 3.09Å; T147-G149 VanDerWaalsContact C-N 3.31Å
148	L	76	Confident	80.8	Confident	86 Å²	86	69.9 Å²	69.9	45%	0.45	39%	0.39	S	S	.	.	H	α-helix	trans	-85.8	-3.5	-177.7	-64.2	173.2	0	0	0	113.3	L144 V154	L144-L148 HydrophobicContact CD2-CD1 4.39Å; L144-L148 PolarHBondContact O-N 2.9Å; L148-V154 HydrophobicContact CD1-CB 4.5Å; L148-V154 HydrophobicContact CD1-CG1 3.75Å
149	G	67.5	Low	80.6	Confident	34 Å²	34	70 Å²	70	35%	0.351	39%	0.391	S	S	.	.			trans	75.6	179	-168.5	0	0	0	0	0	111.7	K145 T147 V151	K145-G149 CarbonylContact O-C 3.59Å; K145-G149 PolarHBondContact O-N 3.19Å; K145-G149 VanDerWaalsContact O-O 3.12Å; T147-G149 VanDerWaalsContact C-N 3.31Å; G149-V151 PolarHBondContact O-N 3.41Å
150	F	64.6	Low	80.3	Confident	189 Å²	189	70.3 Å²	70.3	83%	0.829	39%	0.394	S	S	*	.	S	Bend	trans	-68.6	47.2	-176.3	-72.4	-88.5	0	0	0	114	S152	F150-S152 PolarHBondContact O-N 3.18Å
151	V	67.6	Low	80.1	Confident	73 Å²	73	69.8 Å²	69.8	44%	0.442	39%	0.391	S	S	.	.			trans	-77.6	79.8	167.3	-170.7	0	0	0	0	107.4	G149 N153 V154 E155	G149-V151 PolarHBondContact O-N 3.41Å; V151-N153 PolarHBondContact O-N 3.48Å; V151-V154 HydrophobicContact CB-CG2 4.39Å; V151-V154 HydrophobicContact CG1-CB 4.43Å; V151-V154 HydrophobicContact CG1-CG2 3.8Å; V151-V154 PolarHBondContact O-N 3.11Å; V151-E155 PolarHBondContact O-N 2.82Å
152	S	70.6	Confident	80.1	Confident	77 Å²	77	69.7 Å²	69.7	54%	0.538	39%	0.391	S	S	.	.	H	α-helix	trans	-49.6	-31.7	-176.6	52.4	0	0	0	0	114.1	F150 V154 E155 A156	F150-S152 PolarHBondContact O-N 3.18Å; S152-V154 PolarHBondContact O-N 2.78Å; S152-E155 PolarHBondContact O-N 2.91Å; S152-A156 WeakPolarHBondContact O-CB 2.98Å; S152-A156 PolarHBondContact O-N 2.03Å
153	N	76	Confident	80.2	Confident	129 Å²	129	68.8 Å²	68.8	69%	0.69	38%	0.38	S	S	*	.	H	α-helix	trans	-66.3	-36.3	179.3	-66.5	-18.1	0	0	0	113.1	V151 A157	V151-N153 PolarHBondContact O-N 3.48Å; N153-A157 WeakPolarHBondContact O-CB 3.37Å; N153-A157 PolarHBondContact O-N 3.11Å; N153-A157 VanDerWaalsContact O-N 3.09Å
154	V	78.4	Confident	80.2	Confident	47 Å²	47	68.2 Å²	68.2	29%	0.285	38%	0.379	S	S	.	.	H	α-helix	trans	-74.9	-38.8	179.9	177.7	0	0	0	0	110.4	L148 V151 S152 A157 C158	L148-V154 HydrophobicContact CD1-CB 4.5Å; L148-V154 HydrophobicContact CD1-CG1 3.75Å; V151-V154 HydrophobicContact CB-CG2 4.39Å; V151-V154 HydrophobicContact CG1-CB 4.43Å; V151-V154 HydrophobicContact CG1-CG2 3.8Å; V151-V154 PolarHBondContact O-N 3.11Å; S152-V154 PolarHBondContact O-N 2.78Å; V154-A157 PolarHBondContact O-N 3.41Å; V154-C158 WeakPolarHBondContact O-CB 3.45Å; V154-C158 PolarHBondContact O-N 2.87Å
155	E	81.7	Confident	80.4	Confident	46 Å²	46	66.9 Å²	66.9	22%	0.215	37%	0.372	C	S	.	.	H	α-helix	trans	-59.7	-52.6	173.6	-179.9	-177.8	-175.7	0	0	110.8	K145 V151 S152 A157 C158 D159	K145-E155 HydrophobicContact CB-CB 4.45Å; K145-E155 HydrophobicContact CB-CG 4.3Å; K145-E155 VanDerWaalsContact CD-CD 3.41Å; K145-E155 HydrophobicContact CD-CG 4.42Å; K145-E155 VanDerWaalsContact CD-OE1 3.31Å; K145-E155 WeakPolarHBondContact CD-OE1 3.4Å; K145-E155 VanDerWaalsContact CD-OE2 3.22Å; K145-E155 WeakPolarHBondContact CD-OE2 3.41Å; K145-E155 WeakPolarHBondContact CE-OE1 3.47Å; K145-E155 WeakPolarHBondContact CE-OE2 3.04Å; K145-E155 HydrophobicContact CG-CG 4.4Å; K145-E155 WeakPolarHBondContact CG-OE2 3.05Å; K145-E155 IonicContact NZ-OE1 3.93Å; K145-E155 PolarHBondContact NZ-OE1 3.48Å; K145-E155 IonicContact NZ-OE2 2.8Å; K145-E155 PolarHBondContact NZ-OE2 3.39Å; V151-E155 PolarHBondContact O-N 2.82Å; S152-E155 PolarHBondContact O-N 2.91Å; E155-A157 VanDerWaalsContact C-N 3.29Å; E155-A157 PolarHBondContact O-N 2.94Å; E155-C158 WeakPolarHBondContact O-CA 3.29Å; E155-C158 WeakPolarHBondContact O-CB 3.48Å; E155-C158 PolarHBondContact O-N 3.08Å; E155-D159 PolarHBondContact O-N 3.24Å
156	A	84.1	Confident	80.8	Confident	59 Å²	59	64.5 Å²	64.5	49%	0.488	36%	0.362	S	S	.	.	H	α-helix	trans	-60.5	-38.3	179.7	0	0	0	0	0	112.5	S152 S160	S152-A156 WeakPolarHBondContact O-CB 2.98Å; S152-A156 PolarHBondContact O-N 2.03Å; A156-S160 VanDerWaalsContact O-CB 3.27Å; A156-S160 WeakPolarHBondContact O-CB 3.3Å; A156-S160 PolarHBondContact O-N 3.41Å
157	A	83.5	Confident	81.1	Confident	38 Å²	38	59 Å²	59	31%	0.314	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-40.3	174.1	0	0	0	0	0	111.9	M101 N153 V154 E155 L161	M101-A157 HydrophobicContact SD-CB 4.22Å; N153-A157 WeakPolarHBondContact O-CB 3.37Å; N153-A157 PolarHBondContact O-N 3.11Å; N153-A157 VanDerWaalsContact O-N 3.09Å; V154-A157 PolarHBondContact O-N 3.41Å; E155-A157 VanDerWaalsContact C-N 3.29Å; E155-A157 PolarHBondContact O-N 2.94Å; A157-L161 WeakPolarHBondContact O-CB 3.45Å; A157-L161 PolarHBondContact O-N 3.43Å
158	C	85.3	Confident	81.4	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-50.6	175.9	-168.8	0	0	0	0	111.9	M101 C141 V154 E155 S160 L161 A162	M101-C158 HydrophobicContact CE-CB 4.21Å; M101-C158 HydrophobicContact SD-CB 4.31Å; C141-C158 WeakPolarHBondContact CA-SG 3.38Å; C141-C158 HydrophobicContact CB-CB 3.71Å; C141-C158 WeakPolarHBondContact CB-SG 3.48Å; C141-C158 WeakPolarHBondContact SG-CB 3.04Å; C141-C158 PolarHBondContact SG-O 3.33Å; C141-C158 VanDerWaalsContact SG-O 3.33Å; C141-C158 CovalentContact SG-SG 2.05Å; C141-C158 PolarHBondContact SG-SG 2.88Å; V154-C158 WeakPolarHBondContact O-CB 3.45Å; V154-C158 PolarHBondContact O-N 2.87Å; E155-C158 WeakPolarHBondContact O-CA 3.29Å; E155-C158 WeakPolarHBondContact O-CB 3.48Å; E155-C158 PolarHBondContact O-N 3.08Å; C158-S160 VanDerWaalsContact C-N 3.31Å; C158-S160 PolarHBondContact O-N 3.33Å; C158-L161 PolarHBondContact O-N 2.91Å; C158-L161 VanDerWaalsContact O-N 3.14Å; C158-A162 WeakPolarHBondContact O-CB 3.36Å; C158-A162 PolarHBondContact O-N 3.46Å
159	D	88.1	Confident	81.9	Confident	45 Å²	45	51.6 Å²	51.6	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-42.2	178.7	-77.9	-41.4	0	0	0	111.2	H138 E155 L161 A162 D163	H138-D159 IonicContact CE1-OD1 2.68Å; H138-D159 IonicContact ND1-OD1 2.91Å; H138-D159 PolarHBondContact ND1-OD1 3.27Å; E155-D159 PolarHBondContact O-N 3.24Å; D159-L161 VanDerWaalsContact C-N 3.33Å; D159-L161 PolarHBondContact O-N 2.8Å; D159-A162 PolarHBondContact O-N 2.85Å; D159-D163 WeakPolarHBondContact O-CB 3.3Å; D159-D163 PolarHBondContact O-N 3Å
160	S	86.8	Confident	82.8	Confident	73 Å²	73	55.3 Å²	55.3	51%	0.51	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-40	175.5	-177.2	0	0	0	0	112.5	A156 C158 T164	A156-S160 VanDerWaalsContact O-CB 3.27Å; A156-S160 WeakPolarHBondContact O-CB 3.3Å; A156-S160 PolarHBondContact O-N 3.41Å; C158-S160 VanDerWaalsContact C-N 3.31Å; C158-S160 PolarHBondContact O-N 3.33Å; S160-T164 WeakPolarHBondContact O-CB 3.46Å; S160-T164 PolarHBondContact O-N 2.96Å; S160-T164 PolarHBondContact O-OG1 3.26Å
161	L	84.1	Confident	83.8	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-68.6	-45.2	175.6	-178.9	63.7	0	0	0	110.9	F92 I95 V97 M101 M108 A157 C158 D159 D163 T164 V165	F92-L161 HydrophobicContact CE1-CD1 4.41Å; I95-L161 HydrophobicContact CG2-CD1 3.57Å; V97-L161 HydrophobicContact CG1-CD2 3.97Å; M101-L161 HydrophobicContact CE-CB 3.6Å; M101-L161 HydrophobicContact CE-CD2 3.32Å; M101-L161 HydrophobicContact CE-CG 4.08Å; M108-L161 HydrophobicContact CE-CD2 4.18Å; M108-L161 HydrophobicContact CE-CG 4.01Å; M108-L161 HydrophobicContact SD-CD2 3.67Å; M108-L161 HydrophobicContact SD-CG 4.17Å; A157-L161 WeakPolarHBondContact O-CB 3.45Å; A157-L161 PolarHBondContact O-N 3.43Å; C158-L161 PolarHBondContact O-N 2.91Å; C158-L161 VanDerWaalsContact O-N 3.14Å; D159-L161 VanDerWaalsContact C-N 3.33Å; D159-L161 PolarHBondContact O-N 2.8Å; L161-D163 VanDerWaalsContact C-N 3.33Å; L161-D163 PolarHBondContact O-N 2.98Å; L161-T164 PolarHBondContact O-N 2.92Å; L161-T164 VanDerWaalsContact O-N 3.16Å; L161-V165 HydrophobicContact CD1-CG2 4.14Å; L161-V165 HydrophobicContact CG-CG2 4.31Å; L161-V165 VanDerWaalsContact O-CG2 3.29Å; L161-V165 WeakPolarHBondContact O-CG2 3.17Å; L161-V165 PolarHBondContact O-N 3.14Å
162	A	88.1	Confident	84.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.1	-45.9	177.8	0	0	0	0	0	111.5	M108 L137 C158 D159 V165 F166	M108-A162 HydrophobicContact CE-CB 4.24Å; L137-A162 HydrophobicContact CB-CB 3.83Å; L137-A162 HydrophobicContact CD1-CB 4.45Å; L137-A162 WeakPolarHBondContact CD1-O 3.24Å; C158-A162 WeakPolarHBondContact O-CB 3.36Å; C158-A162 PolarHBondContact O-N 3.46Å; D159-A162 PolarHBondContact O-N 2.85Å; A162-V165 PolarHBondContact O-N 3.38Å; A162-F166 VanDerWaalsContact O-CB 3.26Å; A162-F166 WeakPolarHBondContact O-CB 3.44Å; A162-F166 PolarHBondContact O-N 2.83Å
163	D	90.1	Very high	85.4	Confident	53 Å²	53	46 Å²	46	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-41.8	175.5	-81.5	-35.9	0	0	0	112	R134 H138 D159 L161 V165 F166 N167	R134-D163 IonicContact CZ-OD1 3.71Å; R134-D163 VanDerWaalsContact CZ-OD1 3.25Å; R134-D163 IonicContact NH1-OD1 3.14Å; R134-D163 PolarHBondContact NH1-OD1 3.4Å; R134-D163 IonicContact NH2-OD1 3.68Å; R134-D163 PolarHBondContact NH2-OD1 2.65Å; H138-D163 IonicContact CE1-OD1 2.86Å; H138-D163 IonicContact NE2-OD1 3.68Å; H138-D163 PolarHBondContact NE2-OD1 3.33Å; D159-D163 WeakPolarHBondContact O-CB 3.3Å; D159-D163 PolarHBondContact O-N 3Å; L161-D163 VanDerWaalsContact C-N 3.33Å; L161-D163 PolarHBondContact O-N 2.98Å; D163-V165 PolarHBondContact O-N 3.25Å; D163-F166 PolarHBondContact O-N 3.3Å; D163-N167 VanDerWaalsContact O-CB 3.26Å; D163-N167 WeakPolarHBondContact O-CB 3.09Å; D163-N167 PolarHBondContact O-N 3.45Å; D163-N167 PolarHBondContact O-ND2 2.83Å; D163-N167 VanDerWaalsContact O-ND2 3.11Å
164	T	86.8	Confident	86.1	Confident	60 Å²	60	39.9 Å²	39.9	37%	0.368	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-45.7	177.6	-58.9	0	0	0	0	111.7	I95 S160 L161 T168	I95-T164 HydrophobicContact CD1-CG2 3.92Å; I95-T164 HydrophobicContact CG1-CG2 4.25Å; S160-T164 WeakPolarHBondContact O-CB 3.46Å; S160-T164 PolarHBondContact O-N 2.96Å; S160-T164 PolarHBondContact O-OG1 3.26Å; L161-T164 PolarHBondContact O-N 2.92Å; L161-T164 VanDerWaalsContact O-N 3.16Å; T164-T168 WeakPolarHBondContact O-CB 3.09Å; T164-T168 PolarHBondContact O-N 3.25Å; T164-T168 VanDerWaalsContact O-N 3.08Å; T164-T168 PolarHBondContact O-OG1 2.04Å
165	V	85.9	Confident	86.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-47.6	178	175.5	0	0	0	0	110.3	F92 I95 M108 F133 L137 L161 A162 D163 N167 T168 V169	F92-V165 HydrophobicContact CD1-CG2 3.99Å; F92-V165 HydrophobicContact CE1-CG2 3.23Å; F92-V165 HydrophobicContact CZ-CG2 3.82Å; I95-V165 HydrophobicContact CD1-CG2 3.98Å; M108-V165 HydrophobicContact CE-CG2 4.2Å; F133-V165 HydrophobicContact CE1-CG1 4.06Å; F133-V165 HydrophobicContact CZ-CG1 3.75Å; L137-V165 HydrophobicContact CD1-CB 4.23Å; L137-V165 HydrophobicContact CD1-CG1 4.12Å; L161-V165 HydrophobicContact CD1-CG2 4.14Å; L161-V165 HydrophobicContact CG-CG2 4.31Å; L161-V165 VanDerWaalsContact O-CG2 3.29Å; L161-V165 WeakPolarHBondContact O-CG2 3.17Å; L161-V165 PolarHBondContact O-N 3.14Å; A162-V165 PolarHBondContact O-N 3.38Å; D163-V165 PolarHBondContact O-N 3.25Å; V165-N167 PolarHBondContact O-N 2.76Å; V165-T168 WeakPolarHBondContact O-CB 3.14Å; V165-T168 PolarHBondContact O-N 2.91Å; V165-V169 HydrophobicContact CG1-CG2 4.5Å; V165-V169 WeakPolarHBondContact O-CG2 3.32Å; V165-V169 PolarHBondContact O-N 3.37Å
166	F	90	Very high	86.9	Confident	22 Å²	22	43.8 Å²	43.8	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-47.8	177.3	169.7	-103.2	0	0	0	111.9	D130 F133 R134 L137 A162 D163 T168 V169 W170	D130-F166 HydrophobicContact CB-CE2 4.23Å; D130-F166 WeakPolarHBondContact O-CE2 3.42Å; F133-F166 HydrophobicContact CD1-CD2 4.29Å; R134-F166 HydrophobicContact CB-CD2 3.56Å; R134-F166 HydrophobicContact CB-CE2 3.67Å; R134-F166 HydrophobicContact CB-CG 4.14Å; R134-F166 HydrophobicContact CB-CZ 4.31Å; R134-F166 HydrophobicContact CG-CD1 4.41Å; R134-F166 HydrophobicContact CG-CD2 4.06Å; R134-F166 HydrophobicContact CG-CE2 4.26Å; R134-F166 HydrophobicContact CG-CG 4.13Å; L137-F166 HydrophobicContact CD1-CB 4.29Å; A162-F166 VanDerWaalsContact O-CB 3.26Å; A162-F166 WeakPolarHBondContact O-CB 3.44Å; A162-F166 PolarHBondContact O-N 2.83Å; D163-F166 PolarHBondContact O-N 3.3Å; F166-T168 VanDerWaalsContact C-N 3.28Å; F166-T168 PolarHBondContact O-N 3.28Å; F166-V169 PolarHBondContact O-N 3.44Å; F166-W170 HydrophobicContact CE1-CB 4.47Å; F166-W170 HydrophobicContact CE2-CB 4.46Å; F166-W170 HydrophobicContact CE2-CE3 4.29Å; F166-W170 HydrophobicContact CZ-CB 4.27Å; F166-W170 HydrophobicContact CZ-CD2 4.33Å; F166-W170 AromaticContact CZ-CE3 3.91Å; F166-W170 HydrophobicContact CZ-CE3 3.91Å; F166-W170 VanDerWaalsContact O-CB 3.25Å; F166-W170 WeakPolarHBondContact O-CB 3.25Å; F166-W170 PolarHBondContact O-N 3.07Å
167	N	88.3	Confident	87.3	Confident	83 Å²	83	41 Å²	41	44%	0.444	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-37.2	-179.7	-72.6	-27.3	0	0	0	111.8	D163 V165 T171	D163-N167 VanDerWaalsContact O-CB 3.26Å; D163-N167 WeakPolarHBondContact O-CB 3.09Å; D163-N167 PolarHBondContact O-N 3.45Å; D163-N167 PolarHBondContact O-ND2 2.83Å; D163-N167 VanDerWaalsContact O-ND2 3.11Å; V165-N167 PolarHBondContact O-N 2.76Å; N167-T171 VanDerWaalsContact O-CB 3.28Å; N167-T171 WeakPolarHBondContact O-CB 3.46Å; N167-T171 PolarHBondContact O-N 3.32Å; N167-T171 PolarHBondContact O-OG1 3.16Å
168	T	85.3	Confident	87.7	Confident	39 Å²	39	40.3 Å²	40.3	24%	0.239	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-50.9	173.4	-58.2	0	0	0	0	111.1	T164 V165 F166 T171 L172	T164-T168 WeakPolarHBondContact O-CB 3.09Å; T164-T168 PolarHBondContact O-N 3.25Å; T164-T168 VanDerWaalsContact O-N 3.08Å; T164-T168 PolarHBondContact O-OG1 2.04Å; V165-T168 WeakPolarHBondContact O-CB 3.14Å; V165-T168 PolarHBondContact O-N 2.91Å; F166-T168 VanDerWaalsContact C-N 3.28Å; F166-T168 PolarHBondContact O-N 3.28Å; T168-T171 PolarHBondContact O-N 3.33Å; T168-L172 HydrophobicContact CG2-CD1 4.09Å; T168-L172 WeakPolarHBondContact O-CB 3.45Å; T168-L172 PolarHBondContact O-N 3.17Å
169	V	86.7	Confident	88	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-44.6	178.2	167.9	0	0	0	0	111.7	Y91 L115 F133 V165 F166 T171 G173	Y91-V169 HydrophobicContact CD1-CG2 3.55Å; Y91-V169 HydrophobicContact CD2-CG2 4.29Å; Y91-V169 HydrophobicContact CE1-CG2 4.04Å; Y91-V169 HydrophobicContact CG-CG2 3.68Å; L115-V169 HydrophobicContact CD2-CG1 3.48Å; L115-V169 VanDerWaalsContact CD2-CG1 3.48Å; L115-V169 HydrophobicContact CD2-CG2 4.31Å; F133-V169 HydrophobicContact CD1-CB 4.29Å; F133-V169 HydrophobicContact CD1-CG1 4.04Å; F133-V169 HydrophobicContact CD1-CG2 4.39Å; F133-V169 HydrophobicContact CE1-CB 3.91Å; F133-V169 HydrophobicContact CE1-CG1 4.09Å; F133-V169 HydrophobicContact CE1-CG2 3.61Å; F133-V169 HydrophobicContact CZ-CG2 4.07Å; V165-V169 HydrophobicContact CG1-CG2 4.5Å; V165-V169 WeakPolarHBondContact O-CG2 3.32Å; V165-V169 PolarHBondContact O-N 3.37Å; F166-V169 PolarHBondContact O-N 3.44Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-T171 PolarHBondContact O-N 2.81Å; V169-G173 WeakPolarHBondContact O-CA 3.25Å; V169-G173 PolarHBondContact O-N 2.86Å
170	W	88	Confident	88.2	Confident	112 Å²	112	42.8 Å²	42.8	42%	0.424	23%	0.225	S	C	.	.	H	α-helix	trans	-57.2	-48.7	178.7	174.2	-95	0	0	0	111.1	K126 Y127 D130 F166	K126-W170 PolarHBondContact NZ-O 3.17Å; Y127-W170 HydrophobicContact CD1-CE3 4.42Å; Y127-W170 AromaticContact CD1-CH2 3.18Å; Y127-W170 HydrophobicContact CD1-CH2 3.18Å; Y127-W170 AromaticContact CD1-CZ2 3.96Å; Y127-W170 HydrophobicContact CD1-CZ2 3.96Å; Y127-W170 AromaticContact CD1-CZ3 3.45Å; Y127-W170 HydrophobicContact CD1-CZ3 3.45Å; Y127-W170 VanDerWaalsContact CD1-CZ3 3.45Å; Y127-W170 AromaticContact CE1-CH2 3.45Å; Y127-W170 HydrophobicContact CE1-CH2 3.45Å; Y127-W170 VanDerWaalsContact CE1-CH2 3.45Å; Y127-W170 AromaticContact CE1-CZ2 3.72Å; Y127-W170 HydrophobicContact CE1-CZ2 3.72Å; Y127-W170 HydrophobicContact CE1-CZ3 4.04Å; Y127-W170 HydrophobicContact CG-CH2 4.38Å; D130-W170 HydrophobicContact CB-CE3 3.84Å; D130-W170 HydrophobicContact CB-CZ3 4.15Å; F166-W170 HydrophobicContact CE1-CB 4.47Å; F166-W170 HydrophobicContact CE2-CB 4.46Å; F166-W170 HydrophobicContact CE2-CE3 4.29Å; F166-W170 HydrophobicContact CZ-CB 4.27Å; F166-W170 HydrophobicContact CZ-CD2 4.33Å; F166-W170 AromaticContact CZ-CE3 3.91Å; F166-W170 HydrophobicContact CZ-CE3 3.91Å; F166-W170 VanDerWaalsContact O-CB 3.25Å; F166-W170 WeakPolarHBondContact O-CB 3.25Å; F166-W170 PolarHBondContact O-N 3.07Å
171	T	83.9	Confident	88.6	Confident	63 Å²	63	39.3 Å²	39.3	39%	0.387	20%	0.201	S	C	.	.	H	α-helix	trans	-74.8	-51.2	-174.2	-53.6	0	0	0	0	111.7	N167 T168 V169	N167-T171 VanDerWaalsContact O-CB 3.28Å; N167-T171 WeakPolarHBondContact O-CB 3.46Å; N167-T171 PolarHBondContact O-N 3.32Å; N167-T171 PolarHBondContact O-OG1 3.16Å; T168-T171 PolarHBondContact O-N 3.33Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-T171 PolarHBondContact O-N 2.81Å
172	L	84.5	Confident	88.9	Confident	80 Å²	80	43.1 Å²	43.1	42%	0.419	21%	0.214	S	C	.	.	H	α-helix	trans	-97.4	-8	-170.9	-54.3	179.5	0	0	0	113.3	L56 T168 C174 P176	L56-L172 HydrophobicContact CD1-CB 4.36Å; L56-L172 HydrophobicContact CD1-CD2 3.87Å; L56-L172 HydrophobicContact CG-CD2 4.09Å; T168-L172 HydrophobicContact CG2-CD1 4.09Å; T168-L172 WeakPolarHBondContact O-CB 3.45Å; T168-L172 PolarHBondContact O-N 3.17Å; L172-C174 PolarHBondContact O-N 3.26Å; L172-P176 WeakPolarHBondContact O-CD 3.32Å
173	G	87.7	Confident	89.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.8	-173.9	0	0	0	0	0	114.9	V169 P176 F177	V169-G173 WeakPolarHBondContact O-CA 3.25Å; V169-G173 PolarHBondContact O-N 2.86Å; G173-P176 WeakPolarHBondContact O-CD 3.44Å; G173-P176 WeakPolarHBondContact O-CG 3.33Å; G173-F177 VanDerWaalsContact O-CB 3.23Å; G173-F177 WeakPolarHBondContact O-CB 3.27Å; G173-F177 PolarHBondContact O-N 3.38Å; G173-F177 VanDerWaalsContact O-N 3.1Å
174	C	90.3	Very high	89.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-45.5	-179.5	-179.8	0	0	0	0	112.4	E55 C64 K126 L172 F177 M178	E55-C174 WeakPolarHBondContact O-CB 3.39Å; E55-C174 PolarHBondContact O-SG 2.91Å; E55-C174 VanDerWaalsContact O-SG 3.34Å; C64-C174 HydrophobicContact CB-CB 3.74Å; C64-C174 WeakPolarHBondContact CB-SG 3.1Å; C64-C174 WeakPolarHBondContact SG-CA 3.07Å; C64-C174 WeakPolarHBondContact SG-CB 2.98Å; C64-C174 CovalentContact SG-SG 2.02Å; C64-C174 PolarHBondContact SG-SG 3.32Å; K126-C174 HydrophobicContact CD-CB 4.45Å; L172-C174 PolarHBondContact O-N 3.26Å; C174-F177 WeakPolarHBondContact O-CB 3.44Å; C174-F177 PolarHBondContact O-N 3.02Å; C174-M178 VanDerWaalsContact O-CG 3.3Å; C174-M178 WeakPolarHBondContact O-CG 3.02Å; C174-M178 PolarHBondContact O-N 3.45Å
175	R	89	Confident	89.8	Confident	129 Å²	129	39.6 Å²	39.6	49%	0.487	20%	0.199	S	C	.	.	H	α-helix	trans	-58.7	-51.6	176.1	-172.2	175.6	-177.8	-175.1	0.1	113.8	E55 F177 M178 N179	E55-R175 PolarHBondContact O-N 2.79Å; R175-F177 VanDerWaalsContact C-N 3.33Å; R175-F177 PolarHBondContact O-N 2.64Å; R175-M178 PolarHBondContact O-N 3.36Å; R175-N179 VanDerWaalsContact O-CG 3.27Å; R175-N179 PolarHBondContact O-N 3.01Å
176	P	89.4	Confident	90.2	Very high	45 Å²	45	40.4 Å²	40.4	29%	0.292	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-40	176.3	22.2	-31.6	0	0	0	112.1	L172 G173 M178 N179 S180	L172-P176 WeakPolarHBondContact O-CD 3.32Å; G173-P176 WeakPolarHBondContact O-CD 3.44Å; G173-P176 WeakPolarHBondContact O-CG 3.33Å; P176-M178 PolarHBondContact O-N 3.03Å; P176-N179 PolarHBondContact O-N 3.25Å; P176-S180 PolarHBondContact O-N 3.45Å; P176-S180 PolarHBondContact O-OG 3.46Å
177	F	92.2	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.8	-50.6	173	169.9	-102.2	0	0	0	112	Y119 A124 K126 G173 C174 R175 N179 S180 Q181	Y119-F177 HydrophobicContact CD1-CB 4.29Å; Y119-F177 AromaticContact CD1-CD2 3.54Å; Y119-F177 HydrophobicContact CD1-CD2 3.54Å; Y119-F177 HydrophobicContact CD1-CE2 4.38Å; Y119-F177 HydrophobicContact CD1-CG 4.35Å; Y119-F177 HydrophobicContact CD2-CB 3.9Å; Y119-F177 HydrophobicContact CE1-CB 4.14Å; Y119-F177 AromaticContact CE1-CD2 3.82Å; Y119-F177 HydrophobicContact CE1-CD2 3.82Å; Y119-F177 HydrophobicContact CE1-CG 4.33Å; Y119-F177 HydrophobicContact CE2-CB 3.78Å; Y119-F177 HydrophobicContact CG-CB 4.13Å; Y119-F177 AromaticContact CG-CD2 3.88Å; Y119-F177 HydrophobicContact CG-CD2 3.88Å; A124-F177 VanDerWaalsContact O-CZ 3.3Å; A124-F177 WeakPolarHBondContact O-CZ 3.49Å; K126-F177 HydrophobicContact CB-CD1 3.91Å; K126-F177 HydrophobicContact CB-CD2 3.98Å; K126-F177 HydrophobicContact CB-CE1 3.89Å; K126-F177 HydrophobicContact CB-CE2 3.96Å; K126-F177 HydrophobicContact CB-CG 3.95Å; K126-F177 HydrophobicContact CB-CZ 3.92Å; K126-F177 HydrophobicContact CD-CB 4.34Å; K126-F177 HydrophobicContact CD-CD1 4.23Å; K126-F177 HydrophobicContact CD-CG 4.27Å; K126-F177 HydrophobicContact CG-CB 4.35Å; K126-F177 HydrophobicContact CG-CD1 4.29Å; K126-F177 HydrophobicContact CG-CD2 4.3Å; K126-F177 HydrophobicContact CG-CG 4.04Å; G173-F177 VanDerWaalsContact O-CB 3.23Å; G173-F177 WeakPolarHBondContact O-CB 3.27Å; G173-F177 PolarHBondContact O-N 3.38Å; G173-F177 VanDerWaalsContact O-N 3.1Å; C174-F177 WeakPolarHBondContact O-CB 3.44Å; C174-F177 PolarHBondContact O-N 3.02Å; R175-F177 VanDerWaalsContact C-N 3.33Å; R175-F177 PolarHBondContact O-N 2.64Å; F177-N179 VanDerWaalsContact C-N 3.3Å; F177-N179 PolarHBondContact O-N 2.86Å; F177-S180 PolarHBondContact O-N 3.13Å; F177-Q181 HydrophobicContact CD1-CG 4.36Å; F177-Q181 HydrophobicContact CD2-CG 4.12Å; F177-Q181 HydrophobicContact CE1-CG 3.96Å; F177-Q181 HydrophobicContact CE2-CG 3.7Å; F177-Q181 HydrophobicContact CG-CG 4.44Å; F177-Q181 HydrophobicContact CZ-CG 3.61Å; F177-Q181 VanDerWaalsContact O-CG 3.25Å; F177-Q181 WeakPolarHBondContact O-CG 3.01Å; F177-Q181 PolarHBondContact O-N 3.14Å
178	M	91.8	Very high	90	Very high	24 Å²	24	37.5 Å²	37.5	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-35.9	180	-69.6	-62.4	-70.9	0	0	112.3	Y66 C174 R175 P176 Q181 R182	Y66-M178 HydrophobicContact CD2-CE 3.88Å; Y66-M178 HydrophobicContact CD2-SD 4.39Å; C174-M178 VanDerWaalsContact O-CG 3.3Å; C174-M178 WeakPolarHBondContact O-CG 3.02Å; C174-M178 PolarHBondContact O-N 3.45Å; R175-M178 PolarHBondContact O-N 3.36Å; P176-M178 PolarHBondContact O-N 3.03Å; M178-Q181 PolarHBondContact O-N 3.37Å; M178-R182 WeakPolarHBondContact O-CB 3.43Å; M178-R182 WeakPolarHBondContact O-CG 3.09Å; M178-R182 PolarHBondContact O-N 3.28Å; M178-R182 PolarHBondContact O-NE 3.3Å
179	N	90.9	Very high	89.6	Confident	79 Å²	79	39.1 Å²	39.1	42%	0.422	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-46.3	174.8	-70.9	-13.8	0	0	0	112.2	R175 P176 F177 Q181 R182 A183	R175-N179 VanDerWaalsContact O-CG 3.27Å; R175-N179 PolarHBondContact O-N 3.01Å; P176-N179 PolarHBondContact O-N 3.25Å; F177-N179 VanDerWaalsContact C-N 3.3Å; F177-N179 PolarHBondContact O-N 2.86Å; N179-Q181 VanDerWaalsContact C-N 3.32Å; N179-Q181 PolarHBondContact O-N 2.03Å; N179-R182 PolarHBondContact O-N 2.74Å; N179-R182 PolarHBondContact OD1-NH2 3.39Å; N179-A183 PolarHBondContact O-N 2.88Å
180	S	92.5	Very high	89.1	Confident	20 Å²	20	42.1 Å²	42.1	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-44.4	173.7	-74.6	0	0	0	0	111.5	Y119 D120 P176 F177 A183 A184	Y119-S180 VanDerWaalsContact O-CB 3.25Å; Y119-S180 WeakPolarHBondContact O-CB 3.41Å; D120-S180 WeakPolarHBondContact OD1-CB 2.96Å; D120-S180 PolarHBondContact OD1-OG 3.5Å; P176-S180 PolarHBondContact O-N 3.45Å; P176-S180 PolarHBondContact O-OG 3.46Å; F177-S180 PolarHBondContact O-N 3.13Å; S180-A183 PolarHBondContact O-N 3.06Å; S180-A184 VanDerWaalsContact O-CB 3.27Å; S180-A184 WeakPolarHBondContact O-CB 3.26Å; S180-A184 PolarHBondContact O-N 2.03Å
181	Q	94.2	Very high	88.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-43.2	177.3	-66.8	-65.9	-64.7	0	0	112.4	Y66 Y119 T121 F177 M178 N179 A183 A184 C185	Y66-Q181 HydrophobicContact CD1-CB 3.95Å; Y66-Q181 HydrophobicContact CD2-CB 3.77Å; Y66-Q181 HydrophobicContact CE2-CB 4.43Å; Y66-Q181 HydrophobicContact CG-CB 3.5Å; Y66-Q181 VanDerWaalsContact CG-CB 3.5Å; Y66-Q181 HydrophobicContact CG-CG 4.21Å; Y119-Q181 PolarHBondContact O-NE2 3.35Å; T121-Q181 PolarHBondContact O-NE2 3.36Å; F177-Q181 HydrophobicContact CD1-CG 4.36Å; F177-Q181 HydrophobicContact CD2-CG 4.12Å; F177-Q181 HydrophobicContact CE1-CG 3.96Å; F177-Q181 HydrophobicContact CE2-CG 3.7Å; F177-Q181 HydrophobicContact CG-CG 4.44Å; F177-Q181 HydrophobicContact CZ-CG 3.61Å; F177-Q181 VanDerWaalsContact O-CG 3.25Å; F177-Q181 WeakPolarHBondContact O-CG 3.01Å; F177-Q181 PolarHBondContact O-N 3.14Å; M178-Q181 PolarHBondContact O-N 3.37Å; N179-Q181 VanDerWaalsContact C-N 3.32Å; N179-Q181 PolarHBondContact O-N 2.03Å; Q181-A183 VanDerWaalsContact C-N 3.27Å; Q181-A183 PolarHBondContact O-N 2.93Å; Q181-A184 PolarHBondContact O-N 3.47Å; Q181-C185 WeakPolarHBondContact O-CB 3.29Å; Q181-C185 PolarHBondContact O-N 2.89Å; Q181-C185 PolarHBondContact O-SG 3.36Å
182	R	92	Very high	87.2	Confident	92 Å²	92	44.2 Å²	44.2	35%	0.347	22%	0.221	S	C	.	.	H	α-helix	trans	-60.8	-36	175.3	-77.9	-177.1	-79.9	-115.8	6.6	112.4	E55 Y66 M178 N179	E55-R182 IonicContact OE1-CZ 3.13Å; E55-R182 IonicContact OE1-NH1 2.85Å; E55-R182 PolarHBondContact OE1-NH1 2.89Å; E55-R182 IonicContact OE1-NH2 2.83Å; E55-R182 PolarHBondContact OE1-NH2 3.16Å; E55-R182 IonicContact OE2-NH1 3.25Å; E55-R182 IonicContact OE2-NH2 3.91Å; E55-R182 PolarHBondContact OE2-NH2 2.9Å; E55-R182 VanDerWaalsContact OE2-NH2 3.14Å; Y66-R182 HydrophobicContact CD2-CG 4.38Å; Y66-R182 HydrophobicContact CE2-CG 3.65Å; M178-R182 WeakPolarHBondContact O-CB 3.43Å; M178-R182 WeakPolarHBondContact O-CG 3.09Å; M178-R182 PolarHBondContact O-N 3.28Å; M178-R182 PolarHBondContact O-NE 3.3Å; N179-R182 PolarHBondContact O-N 2.74Å; N179-R182 PolarHBondContact OD1-NH2 3.39Å
183	A	93.1	Very high	86.2	Confident	37 Å²	37	46 Å²	46	31%	0.306	23%	0.227	S	C	.	.	H	α-helix	trans	-74.2	-45.7	177	0	0	0	0	0	112.2	R77 Y80 N179 S180 Q181	R77-A183 WeakPolarHBondContact CD-O 3.13Å; R77-A183 PolarHBondContact NE-O 3.19Å; Y80-A183 HydrophobicContact CE2-CB 3.96Å; N179-A183 PolarHBondContact O-N 2.88Å; S180-A183 PolarHBondContact O-N 3.06Å; Q181-A183 VanDerWaalsContact C-N 3.27Å; Q181-A183 PolarHBondContact O-N 2.93Å
184	A	94.8	Very high	84.8	Confident	2 Å²	2	54.4 Å²	54.4	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-82.9	-20.1	-172.7	0	0	0	0	0	114.6	R77 Y80 D120 C122 S180 Q181	R77-A184 VanDerWaalsContact CB-O 3.31Å; R77-A184 WeakPolarHBondContact CB-O 3.43Å; R77-A184 PolarHBondContact N-O 2.56Å; Y80-A184 HydrophobicContact CD1-CB 3.8Å; Y80-A184 HydrophobicContact CE1-CB 3.46Å; Y80-A184 VanDerWaalsContact CE1-CB 3.46Å; Y80-A184 HydrophobicContact CG-CB 4.47Å; D120-A184 WeakPolarHBondContact O-CB 3.28Å; C122-A184 HydrophobicContact CB-CB 4.27Å; S180-A184 VanDerWaalsContact O-CB 3.27Å; S180-A184 WeakPolarHBondContact O-CB 3.26Å; S180-A184 PolarHBondContact O-N 2.03Å; Q181-A184 PolarHBondContact O-N 3.47Å
185	C	95.1	Very high	82.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	157.8	-177	-63.1	0	0	0	0	113.5	Y66 P74 M75 R77 C122 G123 Q181	Y66-C185 HydrophobicContact CD1-CB 4.29Å; Y66-C185 HydrophobicContact CE1-CB 3.6Å; P74-C185 HydrophobicContact CB-CB 3.94Å; M75-C185 CarbonylContact O-C 3.52Å; M75-C185 VanDerWaalsContact O-CA 3.29Å; M75-C185 WeakPolarHBondContact O-CA 3.14Å; R77-C185 PolarHBondContact NH2-O 3.04Å; C122-C185 WeakPolarHBondContact CA-SG 3.4Å; C122-C185 HydrophobicContact CB-CB 4.14Å; C122-C185 WeakPolarHBondContact CB-SG 3.45Å; C122-C185 WeakPolarHBondContact SG-CA 3.44Å; C122-C185 WeakPolarHBondContact SG-CB 3.45Å; C122-C185 CovalentContact SG-SG 2.03Å; C122-C185 PolarHBondContact SG-SG 3.26Å; G123-C185 PolarHBondContact N-SG 2.8Å; Q181-C185 WeakPolarHBondContact O-CB 3.29Å; Q181-C185 PolarHBondContact O-N 2.89Å; Q181-C185 PolarHBondContact O-SG 3.36Å
186	I	93.7	Very high	82.6	Confident	17 Å²	17	61.4 Å²	61.4	9%	0.087	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	155.9	164.7	58.3	167.5	0	0	0	110.3	M75 R77 P78 E191	M75-I186 HydrophobicContact CB-CG1 4.14Å; M75-I186 HydrophobicContact CE-CD1 4.33Å; M75-I186 PolarHBondContact N-O 3.15Å; M75-I186 WeakPolarHBondContact O-CG1 3.47Å; M75-I186 PolarHBondContact O-N 2.81Å; R77-I186 HydrophobicContact CB-CG2 3.89Å; R77-I186 HydrophobicContact CG-CG2 3.88Å; P78-I186 HydrophobicContact CG-CD1 4.49Å; I186-E191 VanDerWaalsContact CG2-OE1 3.3Å; I186-E191 WeakPolarHBondContact CG2-OE1 3.49Å
187	C	91.4	Very high	82.3	Confident	6 Å²	6	62.2 Å²	62.2	4%	0.041	31%	0.312	C	S	.	.			trans	-120.7	103.8	177.3	-69.3	0	0	0	0	108.4	C68 E189 E190 E191	C68-C187 WeakPolarHBondContact CA-SG 3.42Å; C68-C187 HydrophobicContact CB-CB 3.66Å; C68-C187 WeakPolarHBondContact CB-SG 3.44Å; C68-C187 WeakPolarHBondContact SG-CB 3.29Å; C68-C187 CovalentContact SG-SG 2.03Å; C68-C187 PolarHBondContact SG-SG 2.93Å; C187-E189 PolarHBondContact O-N 3.22Å; C187-E190 HydrophobicContact CB-CB 4.07Å; C187-E190 HydrophobicContact CB-CG 3.9Å; C187-E190 WeakPolarHBondContact CB-OE2 3.3Å; C187-E190 WeakPolarHBondContact O-CB 3.31Å; C187-E190 PolarHBondContact O-N 3.35Å; C187-E191 PolarHBondContact O-N 3.38Å
188	A	83.4	Confident	81.7	Confident	38 Å²	38	65.7 Å²	65.7	31%	0.314	33%	0.329	S	S	.	.	H	α-helix	trans	-52.1	-34.4	-169.2	0	0	0	0	0	115.6	M75 K192	M75-A188 HydrophobicContact CE-CB 3.47Å; M75-A188 VanDerWaalsContact CE-CB 3.47Å; A188-K192 WeakPolarHBondContact O-CG 3.34Å
189	E	76.6	Confident	81.1	Confident	74 Å²	74	68.1 Å²	68.1	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-80.7	-24.3	-179.9	-60.5	-54.4	137.3	0	0	112.5	Y70 C187 K192	Y70-E189 HydrophobicContact CD2-CB 3.58Å; Y70-E189 HydrophobicContact CE2-CB 4.2Å; Y70-E189 HydrophobicContact CG-CB 4.26Å; C187-E189 PolarHBondContact O-N 3.22Å; E189-K192 VanDerWaalsContact CD-NZ 3.35Å; E189-K192 IonicContact OE1-NZ 3.71Å; E189-K192 PolarHBondContact OE1-NZ 2.83Å; E189-K192 IonicContact OE2-NZ 3.65Å; E189-K192 PolarHBondContact OE2-NZ 3.48Å; E189-K192 VanDerWaalsContact OE2-NZ 3.13Å
190	E	75.8	Confident	80.5	Confident	62 Å²	62	67.4 Å²	67.4	29%	0.29	34%	0.337	S	S	.	.	H	α-helix	trans	-75.1	-35.8	176.2	-64.9	169.1	-161.2	0	0	110.5	R69 Y70 C187 K192 E193	R69-E190 HydrophobicContact CB-CG 4.38Å; R69-E190 WeakPolarHBondContact CB-OE1 3.43Å; R69-E190 PolarHBondContact N-OE1 3.21Å; Y70-E190 HydrophobicContact CD2-CG 4.21Å; Y70-E190 HydrophobicContact CE2-CG 4.18Å; C187-E190 HydrophobicContact CB-CB 4.07Å; C187-E190 HydrophobicContact CB-CG 3.9Å; C187-E190 WeakPolarHBondContact CB-OE2 3.3Å; C187-E190 WeakPolarHBondContact O-CB 3.31Å; C187-E190 PolarHBondContact O-N 3.35Å; E190-K192 VanDerWaalsContact C-N 3.3Å; E190-K192 PolarHBondContact O-N 3.41Å; E190-E193 PolarHBondContact O-N 3.37Å
191	E	68.7	Low	79.7	Confident	91 Å²	91	70.6 Å²	70.6	43%	0.425	35%	0.35	S	S	.	.	H	α-helix	trans	-68.3	-26.9	175.2	-69	-175.2	155.8	0	0	113.1	I186 C187 E193 E194	I186-E191 VanDerWaalsContact CG2-OE1 3.3Å; I186-E191 WeakPolarHBondContact CG2-OE1 3.49Å; C187-E191 PolarHBondContact O-N 3.38Å; E191-E193 VanDerWaalsContact C-N 3.33Å; E191-E194 PolarHBondContact O-N 3.13Å
192	K	65.2	Low	78.7	Confident	128 Å²	128	75.6 Å²	75.6	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-72.6	-24.7	177.2	-73.7	176.2	-170.3	164.5	0	113.4	A188 E189 E190 E194	A188-K192 WeakPolarHBondContact O-CG 3.34Å; E189-K192 VanDerWaalsContact CD-NZ 3.35Å; E189-K192 IonicContact OE1-NZ 3.71Å; E189-K192 PolarHBondContact OE1-NZ 2.83Å; E189-K192 IonicContact OE2-NZ 3.65Å; E189-K192 PolarHBondContact OE2-NZ 3.48Å; E189-K192 VanDerWaalsContact OE2-NZ 3.13Å; E190-K192 VanDerWaalsContact C-N 3.3Å; E190-K192 PolarHBondContact O-N 3.41Å; K192-E194 VanDerWaalsContact C-N 3.33Å
193	E	61.7	Low	77.7	Confident	118 Å²	118	74.3 Å²	74.3	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-78.6	-20.5	177.8	-70.8	-175.2	165.5	0	0	112.4	R69 Y70 E190 E191 L195	R69-E193 IonicContact NH1-OE2 3.46Å; Y70-E193 PolarHBondContact OH-OE1 2.72Å; Y70-E193 PolarHBondContact OH-OE2 3.4Å; E190-E193 PolarHBondContact O-N 3.37Å; E191-E193 VanDerWaalsContact C-N 3.33Å; E193-L195 VanDerWaalsContact C-N 3.32Å
194	E	58.9	Low	76.4	Confident	176 Å²	176	77.4 Å²	77.4	82%	0.822	38%	0.382	S	S	*	.			trans	-83.9	-5.5	179.1	-64.5	-170.7	165.6	0	0	113.5	E191 K192	E191-E194 PolarHBondContact O-N 3.13Å; K192-E194 VanDerWaalsContact C-N 3.33Å
195	L	51.8	Low	74.7	Confident	216 Å²	216	84.3 Å²	84.3	100%	1.131	42%	0.416	S	S	*	.			trans	-107.6	0	-177.5	-135.6	114.6	0	0	0	112.3	E193	E193-L195 VanDerWaalsContact C-N 3.32Å

Retrieved 195 of 195 residues in 355.6 ms (Link to these results)

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