A0A096NUW3_PAPAN Loading...

ATP synthase subunit s, mitochondrial

Involved in regulation of mitochondrial membrane ATP synthase. Necessary for H(+) conduction of ATP synthase. Facilitates energy-driven catalysis of ATP synthesis by blocking a proton leak through an alternative proton exit pathway.

AlphaFold DB , UniProt , Accession A0A096NUW3, Species PAPAN (Papio anubis, Olive baboon), Gene DMAC2L, Length 215 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	35.8	Very low	29.2	Very low	248 Å²	248	140.6 Å²	140.6	100%	1.222	81%	0.813	S	S	*	*				0	128.1	0	-86.9	170.4	-167.7	0	0	108
2	C	27	Very low	29	Very low	116 Å²	116	137.6 Å²	137.6	78%	0.784	80%	0.804	S	S	*	*			trans	-81.5	175	-174.8	-50.6	0	0	0	0	112.5
3	C	27.4	Very low	29.1	Very low	127 Å²	127	135.9 Å²	135.9	86%	0.858	80%	0.797	S	S	*	*			trans	80.1	147.5	140.6	-69.1	0	0	0	0	116.8
4	A	31.9	Very low	29.3	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	80%	0.798	S	S	*	*			cis	-164.4	155.2	7	0	0	0	0	0	107.6
5	G	28.8	Very low	29.5	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	80%	0.799	S	S	*	*				102.8	150.1	100.7	0	0	0	0	0	109.5
6	S	29.6	Very low	29.5	Very low	126 Å²	126	142.2 Å²	142.2	88%	0.881	81%	0.805	S	S	*	*			cis	-174.1	170.9	17.2	45.8	0	0	0	0	110
7	E	29.9	Very low	29.6	Very low	160 Å²	160	144 Å²	144	75%	0.748	81%	0.808	S	S	*	*			trans	-68.2	167.9	-175.4	-64.9	170.7	95.1	0	0	119
8	Q	29.5	Very low	29.7	Very low	121 Å²	121	145.3 Å²	145.3	57%	0.565	81%	0.812	S	S	*	*			trans	96.4	129.5	130.6	-91.5	167.1	41.6	0	0	123.6
9	R	26.7	Very low	29.8	Very low	198 Å²	198	147.2 Å²	147.2	75%	0.747	81%	0.811	S	S	*	*			trans	96.5	108.5	133.8	-82.2	-175.6	-125.9	-134.5	2.6	123.5
10	L	27.3	Very low	29.8	Very low	153 Å²	153	143.5 Å²	143.5	80%	0.801	81%	0.808	S	S	*	*				69.3	152.5	109.4	-96.2	155.9	0	0	0	124.6
11	T	27.2	Very low	30.1	Very low	129 Å²	129	145.8 Å²	145.8	79%	0.791	81%	0.809	S	S	*	*			trans	103.8	144.2	162.2	74.1	0	0	0	0	115.5
12	C	26.9	Very low	30.3	Very low	104 Å²	104	141 Å²	141	70%	0.703	79%	0.793	S	S	*	*			cis	-164.7	166.1	9.7	-154.3	0	0	0	0	110.9
13	T	30	Very low	30.8	Very low	116 Å²	116	140.5 Å²	140.5	71%	0.712	79%	0.791	S	S	*	*			trans	65.3	135.9	156.6	55.1	0	0	0	0	118.3
14	D	31.7	Very low	31.7	Very low	152 Å²	152	143.2 Å²	143.2	81%	0.813	79%	0.791	S	S	*	*			cis	-164.2	159.3	32	-129.5	-25.5	0	0	0	111.9
15	Q	32.7	Very low	31.9	Very low	175 Å²	175	148 Å²	148	82%	0.818	80%	0.797	S	S	*	*			trans	-77.8	144.9	177.1	-71.7	172.6	-23.6	0	0	112.9
16	M	30	Very low	32.6	Very low	181 Å²	181	152.2 Å²	152.2	89%	0.892	80%	0.802	S	S	*	*				174.8	124.5	119.4	-98.9	172.8	127.9	0	0	111.3
17	M	31.5	Very low	32.8	Very low	173 Å²	173	152.3 Å²	152.3	85%	0.852	80%	0.801	S	S	*	*			trans	-82	143.6	168.1	-69.7	-134.6	-101.8	0	0	110.7
18	L	30.9	Very low	33.1	Very low	167 Å²	167	147.2 Å²	147.2	87%	0.874	79%	0.791	S	S	*	*			trans	-148.6	136.1	152.2	-107.4	140.7	0	0	0	111.5
19	F	30.8	Very low	33.8	Very low	182 Å²	182	149.5 Å²	149.5	80%	0.798	81%	0.806	S	S	*	*			trans	-68.9	138.1	-164.1	-81	-105.8	0	0	0	114.5
20	G	30.1	Very low	34.4	Very low	73 Å²	73	149 Å²	149	75%	0.753	81%	0.809	S	S	*	*			trans	-140.1	93.4	158.3	0	0	0	0	0	110	V22	G20-V22 PolarHBondContact O-N 2.94Å
21	K	37.2	Very low	35	Very low	192 Å²	192	151 Å²	151	84%	0.835	81%	0.811	S	S	*	*			trans	-72.5	117.9	168.2	-77.3	176.9	176.9	176	0	108.2
22	V	39.6	Very low	35.9	Very low	147 Å²	147	151.2 Å²	151.2	89%	0.891	81%	0.807	S	S	*	*			trans	-120.1	123.9	157.5	179.8	0	0	0	0	108.6	G20	G20-V22 PolarHBondContact O-N 2.94Å
23	S	37.9	Very low	36.6	Very low	105 Å²	105	151.9 Å²	151.9	73%	0.734	81%	0.81	S	S	*	*			trans	-56.6	145.9	-170.4	-175.7	0	0	0	0	114.2	Q25	S23-Q25 PolarHBondContact O-N 3.04Å
24	Q	46	Very low	37.4	Very low	185 Å²	185	155.7 Å²	155.7	86%	0.864	81%	0.811	S	S	*	*			trans	-49.4	131.6	158.4	-73.2	168.6	-23.1	0	0	110.4
25	Q	35.1	Very low	38.4	Very low	194 Å²	194	154 Å²	154	91%	0.907	81%	0.812	S	S	*	*			trans	-152.6	134.4	147.8	-113.1	169.1	6.1	0	0	110.9	S23	S23-Q25 PolarHBondContact O-N 3.04Å
26	L	44.5	Very low	39.3	Very low	164 Å²	164	149.2 Å²	149.2	86%	0.859	80%	0.796	S	S	*	*			trans	-58.8	143.5	-168.9	-66.6	128.4	0	0	0	114.2
27	C	33.5	Very low	40.7	Very low	128 Å²	128	145.2 Å²	145.2	87%	0.865	78%	0.779	S	S	*	*				-133.6	102.8	130	-138.9	0	0	0	0	108.1	I29	C27-I29 PolarHBondContact O-N 2.76Å
28	G	36.9	Very low	42.5	Very low	53 Å²	53	140.6 Å²	140.6	55%	0.546	76%	0.763	S	S	.	*			trans	-55.7	138.1	175.2	0	0	0	0	0	109.9	K30	G28-K30 PolarHBondContact O-N 3.36Å
29	I	43.6	Very low	44.6	Very low	168 Å²	168	142.1 Å²	142.1	86%	0.862	76%	0.757	S	S	*	*			trans	-58.2	96.4	159.8	-60.9	170.5	0	0	0	104.8	C27 K31	C27-I29 PolarHBondContact O-N 2.76Å; I29-K31 PolarHBondContact O-N 3.41Å
30	K	38.4	Very low	47	Very low	187 Å²	187	141.3 Å²	141.3	81%	0.813	75%	0.75	S	S	*	*			trans	-54.9	110.4	167.4	-72.9	-177.3	179.3	178.7	0	104.4	G28 L32	G28-K30 PolarHBondContact O-N 3.36Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 3.09Å
31	K	41.1	Very low	49.7	Very low	196 Å²	196	142.6 Å²	142.6	85%	0.852	74%	0.735	S	S	*	*			trans	-51.1	107.4	165.2	-72.7	-174.9	177.4	-178.5	0	105.6	I29 P33	I29-K31 PolarHBondContact O-N 3.41Å; K31-P33 WeakPolarHBondContact O-CD 3.15Å
32	L	45.4	Very low	51.9	Low	134 Å²	134	140.1 Å²	140.1	70%	0.702	72%	0.721	S	S	*	*			trans	-50.5	121.2	170.8	-91.2	146.4	0	0	0	106.8	K30 W34	K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 3.09Å; L32-W34 VanDerWaalsContact CD2-NE1 3.26Å; L32-W34 PolarHBondContact O-N 2.83Å
33	P	42	Very low	53.9	Low	117 Å²	117	135 Å²	135	76%	0.76	70%	0.698	S	S	*	*			trans	-78.7	68.2	179.8	31.9	-32	0	0	0	108.7	K31 S35	K31-P33 WeakPolarHBondContact O-CD 3.15Å; P33-S35 PolarHBondContact O-N 2.93Å
34	W	46	Very low	56.4	Low	196 Å²	196	137 Å²	137	74%	0.742	69%	0.69	S	S	*	*			trans	-98.7	72.2	174	-72.9	56.6	0	0	0	108.2	L32	L32-W34 VanDerWaalsContact CD2-NE1 3.26Å; L32-W34 PolarHBondContact O-N 2.83Å
35	S	53	Low	58.3	Low	118 Å²	118	130 Å²	130	83%	0.825	66%	0.658	S	S	*	*			trans	-129.4	29.8	165.9	68.8	0	0	0	0	112.3	P33	P33-S35 PolarHBondContact O-N 2.93Å
36	C	51.8	Low	60.7	Low	74 Å²	74	121.9 Å²	121.9	50%	0.5	62%	0.621	S	S	.	*	S	Bend	trans	-118.6	-0.5	179.4	-135.4	0	0	0	0	115.3	Y40	C36-Y40 WeakPolarHBondContact O-CD2 3.47Å; C36-Y40 WeakPolarHBondContact O-CE2 3.39Å
37	D	59.9	Low	62.7	Low	97 Å²	97	115.8 Å²	115.8	52%	0.519	59%	0.594	S	S	.	*	S	Bend	trans	-99.9	-25.9	-164.8	-145.8	0.1	0	0	0	115.3	R39 Y40 F41	D37-R39 PolarHBondContact O-N 2.83Å; D37-Y40 PolarHBondContact O-N 2.78Å; D37-F41 PolarHBondContact O-N 2.96Å; D37-F41 VanDerWaalsContact O-N 3.15Å
38	S	68.9	Low	65.4	Low	76 Å²	76	112.9 Å²	112.9	53%	0.531	57%	0.572	S	S	.	*	H	α-helix	trans	-63.1	-42.2	-175	179.2	0	0	0	0	112.8	Y40 F41 W42	S38-Y40 PolarHBondContact O-N 3.32Å; S38-F41 PolarHBondContact O-N 2.83Å; S38-W42 PolarHBondContact O-N 3.23Å; S38-W42 PolarHBondContact OG-NE1 2.75Å
39	R	75.6	Confident	68	Low	198 Å²	198	114 Å²	114	75%	0.747	56%	0.562	S	S	*	*	H	α-helix	trans	-65.8	-36.4	-178.8	-69.9	-171.6	-68	173.9	-1.4	112.8	D37 G43	D37-R39 PolarHBondContact O-N 2.83Å; R39-G43 PolarHBondContact O-N 2.99Å
40	Y	80.8	Confident	70.5	Confident	166 Å²	166	106 Å²	106	65%	0.651	52%	0.521	S	S	*	.	H	α-helix	trans	-70.1	-43.2	177.1	-69.8	-75.2	0	0	0	111.4	C36 D37 S38 G43 W44	C36-Y40 WeakPolarHBondContact O-CD2 3.47Å; C36-Y40 WeakPolarHBondContact O-CE2 3.39Å; D37-Y40 PolarHBondContact O-N 2.78Å; S38-Y40 PolarHBondContact O-N 3.32Å; Y40-G43 PolarHBondContact O-N 2.91Å; Y40-W44 WeakPolarHBondContact O-CB 3.3Å; Y40-W44 PolarHBondContact O-N 3.33Å
41	F	86.6	Confident	73.3	Confident	100 Å²	100	104 Å²	104	44%	0.439	51%	0.512	S	S	.	.	H	α-helix	trans	-58.4	-50.5	175.8	174.9	-97.9	0	0	0	112	D37 S38 G43 W44 L45	D37-F41 PolarHBondContact O-N 2.96Å; D37-F41 VanDerWaalsContact O-N 3.15Å; S38-F41 PolarHBondContact O-N 2.83Å; F41-G43 VanDerWaalsContact C-N 3.34Å; F41-G43 PolarHBondContact O-N 3.13Å; F41-W44 HydrophobicContact CD2-CE3 4.15Å; F41-W44 HydrophobicContact CD2-CZ3 4.35Å; F41-W44 HydrophobicContact CE2-CE3 4.1Å; F41-W44 AromaticContact CE2-CZ3 3.86Å; F41-W44 HydrophobicContact CE2-CZ3 3.86Å; F41-W44 PolarHBondContact O-N 2.83Å; F41-L45 HydrophobicContact CE1-CD2 4.24Å; F41-L45 HydrophobicContact CZ-CD2 4.46Å; F41-L45 WeakPolarHBondContact O-CB 3.41Å; F41-L45 PolarHBondContact O-N 3.22Å
42	W	84.3	Confident	75.9	Confident	139 Å²	139	95.4 Å²	95.4	53%	0.527	48%	0.476	S	S	.	.	H	α-helix	trans	-66.8	-35.5	179.6	-68.4	116.2	0	0	0	112.7	S38 L45 N46	S38-W42 PolarHBondContact O-N 3.23Å; S38-W42 PolarHBondContact OG-NE1 2.75Å; W42-L45 HydrophobicContact CE3-CD2 3.71Å; W42-L45 HydrophobicContact CZ3-CD2 3.56Å; W42-L45 PolarHBondContact O-N 3Å; W42-N46 WeakPolarHBondContact O-CB 3.4Å; W42-N46 PolarHBondContact O-N 3.5Å
43	G	80.7	Confident	78.3	Confident	40 Å²	40	93 Å²	93	41%	0.412	46%	0.464	S	S	.	.	H	α-helix	trans	-63	-47	172.4	0	0	0	0	0	112.4	R39 Y40 F41 N46 A47	R39-G43 PolarHBondContact O-N 2.99Å; Y40-G43 PolarHBondContact O-N 2.91Å; F41-G43 VanDerWaalsContact C-N 3.34Å; F41-G43 PolarHBondContact O-N 3.13Å; G43-N46 PolarHBondContact O-N 3.38Å; G43-A47 WeakPolarHBondContact O-CB 3.43Å; G43-A47 PolarHBondContact O-N 3.35Å
44	W	90	Very high	80.9	Confident	148 Å²	148	94.5 Å²	94.5	56%	0.561	46%	0.455	S	S	*	.	H	α-helix	trans	-60.2	-45.3	174.5	167	81.5	0	0	0	111.6	Y40 F41 N46 A47 V48	Y40-W44 WeakPolarHBondContact O-CB 3.3Å; Y40-W44 PolarHBondContact O-N 3.33Å; F41-W44 HydrophobicContact CD2-CE3 4.15Å; F41-W44 HydrophobicContact CD2-CZ3 4.35Å; F41-W44 HydrophobicContact CE2-CE3 4.1Å; F41-W44 AromaticContact CE2-CZ3 3.86Å; F41-W44 HydrophobicContact CE2-CZ3 3.86Å; F41-W44 PolarHBondContact O-N 2.83Å; W44-N46 PolarHBondContact O-N 2.87Å; W44-A47 WeakPolarHBondContact O-CB 3.32Å; W44-A47 PolarHBondContact O-N 3.49Å; W44-A47 VanDerWaalsContact O-N 3.15Å; W44-V48 HydrophobicContact CD2-CG2 4.17Å; W44-V48 HydrophobicContact CG-CG2 4.48Å; W44-V48 HydrophobicContact CZ2-CG2 3.84Å; W44-V48 WeakPolarHBondContact O-CG2 3.48Å; W44-V48 PolarHBondContact O-N 3.22Å
45	L	86.1	Confident	83.4	Confident	38 Å²	38	89.4 Å²	89.4	20%	0.199	44%	0.443	C	S	.	.	H	α-helix	trans	-61.4	-46.6	-179.3	-171.4	67.5	0	0	0	111.3	F41 W42 A47 V48 F49	F41-L45 HydrophobicContact CE1-CD2 4.24Å; F41-L45 HydrophobicContact CZ-CD2 4.46Å; F41-L45 WeakPolarHBondContact O-CB 3.41Å; F41-L45 PolarHBondContact O-N 3.22Å; W42-L45 HydrophobicContact CE3-CD2 3.71Å; W42-L45 HydrophobicContact CZ3-CD2 3.56Å; W42-L45 PolarHBondContact O-N 3Å; L45-A47 VanDerWaalsContact C-N 3.28Å; L45-A47 PolarHBondContact O-N 3.1Å; L45-V48 PolarHBondContact O-N 3.42Å; L45-F49 HydrophobicContact CD1-CD2 4.05Å; L45-F49 HydrophobicContact CD1-CE2 3.61Å; L45-F49 HydrophobicContact CG-CD2 4.12Å; L45-F49 HydrophobicContact CG-CE2 3.92Å; L45-F49 VanDerWaalsContact O-CD2 3.22Å; L45-F49 WeakPolarHBondContact O-CD2 3.33Å; L45-F49 PolarHBondContact O-N 3.39Å
46	N	85.4	Confident	85.5	Confident	23 Å²	23	87.9 Å²	87.9	12%	0.123	42%	0.419	C	S	.	.	H	α-helix	trans	-60.5	-39.1	175.4	-75.1	-13.9	0	0	0	111.8	W42 G43 W44 F49 N50 M113 Y136	W42-N46 WeakPolarHBondContact O-CB 3.4Å; W42-N46 PolarHBondContact O-N 3.5Å; G43-N46 PolarHBondContact O-N 3.38Å; W44-N46 PolarHBondContact O-N 2.87Å; N46-F49 PolarHBondContact O-N 3.28Å; N46-N50 PolarHBondContact O-N 3.07Å; N46-N50 VanDerWaalsContact O-N 3.14Å; N46-N50 PolarHBondContact O-ND2 3.3Å; N46-M113 HydrophobicContact CB-SD 4.24Å; N46-Y136 WeakPolarHBondContact ND2-CE1 3.47Å; N46-Y136 PolarHBondContact ND2-OH 2.78Å
47	A	87.1	Confident	87.6	Confident	35 Å²	35	86.2 Å²	86.2	29%	0.289	41%	0.405	S	S	.	.	H	α-helix	trans	-65.2	-41.8	176.3	0	0	0	0	0	111.9	G43 W44 L45 N50 K51 I115	G43-A47 WeakPolarHBondContact O-CB 3.43Å; G43-A47 PolarHBondContact O-N 3.35Å; W44-A47 WeakPolarHBondContact O-CB 3.32Å; W44-A47 PolarHBondContact O-N 3.49Å; W44-A47 VanDerWaalsContact O-N 3.15Å; L45-A47 VanDerWaalsContact C-N 3.28Å; L45-A47 PolarHBondContact O-N 3.1Å; A47-N50 PolarHBondContact O-N 3.5Å; A47-K51 WeakPolarHBondContact O-CB 3.39Å; A47-K51 PolarHBondContact O-N 3.4Å; A47-I115 HydrophobicContact CB-CD1 4.14Å; A47-I115 WeakPolarHBondContact O-CD1 3.27Å
48	V	90.8	Very high	89.4	Confident	67 Å²	67	89.6 Å²	89.6	41%	0.406	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-43.1	176.6	171.1	0	0	0	0	111.2	W44 L45 N50 K51	W44-V48 HydrophobicContact CD2-CG2 4.17Å; W44-V48 HydrophobicContact CG-CG2 4.48Å; W44-V48 HydrophobicContact CZ2-CG2 3.84Å; W44-V48 WeakPolarHBondContact O-CG2 3.48Å; W44-V48 PolarHBondContact O-N 3.22Å; L45-V48 PolarHBondContact O-N 3.42Å; V48-N50 PolarHBondContact O-N 2.99Å; V48-K51 PolarHBondContact O-N 2.76Å
49	F	91.1	Very high	90.6	Very high	76 Å²	76	90.3 Å²	90.3	33%	0.333	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-34.8	178.2	-88.2	-124.9	0	0	0	112	L45 N46 R72	L45-F49 HydrophobicContact CD1-CD2 4.05Å; L45-F49 HydrophobicContact CD1-CE2 3.61Å; L45-F49 HydrophobicContact CG-CD2 4.12Å; L45-F49 HydrophobicContact CG-CE2 3.92Å; L45-F49 VanDerWaalsContact O-CD2 3.22Å; L45-F49 WeakPolarHBondContact O-CD2 3.33Å; L45-F49 PolarHBondContact O-N 3.39Å; N46-F49 PolarHBondContact O-N 3.28Å; F49-R72 HydrophobicContact CD1-CG 4.37Å; F49-R72 WeakPolarHBondContact CD1-O 3.26Å; F49-R72 WeakPolarHBondContact CE1-O 3.5Å; F49-R72 VanDerWaalsContact O-CZ 3.28Å; F49-R72 PolarHBondContact O-NE 3.37Å; F49-R72 PolarHBondContact O-NH2 3.28Å
50	N	96.3	Very high	91.6	Very high	0 Å²	0	81.8 Å²	81.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-91.1	-13.5	-179.9	-75.4	-85	0	0	0	114	N46 A47 V48 V52 W69 C111 I112 M113 I115 G116	N46-N50 PolarHBondContact O-N 3.07Å; N46-N50 VanDerWaalsContact O-N 3.14Å; N46-N50 PolarHBondContact O-ND2 3.3Å; A47-N50 PolarHBondContact O-N 3.5Å; V48-N50 PolarHBondContact O-N 2.99Å; N50-V52 PolarHBondContact O-N 3.19Å; N50-W69 PolarHBondContact OD1-NE1 3.05Å; N50-C111 PolarHBondContact ND2-O 2.92Å; N50-I112 VanDerWaalsContact OD1-CA 3.32Å; N50-I112 WeakPolarHBondContact OD1-CA 3.19Å; N50-M113 HydrophobicContact CB-CG 3.77Å; N50-M113 HydrophobicContact CB-SD 4.34Å; N50-M113 PolarHBondContact OD1-N 3.2Å; N50-M113 VanDerWaalsContact OD1-N 3.08Å; N50-I115 HydrophobicContact CB-CD1 4.05Å; N50-I115 HydrophobicContact CB-CG1 3.65Å; N50-G116 WeakPolarHBondContact O-CA 3.29Å
51	K	96.1	Very high	92.3	Very high	146 Å²	146	74.6 Å²	74.6	64%	0.635	35%	0.354	S	S	*	.			trans	-59.2	133.9	-179.8	-174.2	175.3	178.8	180	0	110.9	A47 V48 R72	A47-K51 WeakPolarHBondContact O-CB 3.39Å; A47-K51 PolarHBondContact O-N 3.4Å; V48-K51 PolarHBondContact O-N 2.76Å; K51-R72 PolarHBondContact O-NH2 2.66Å
52	V	96.2	Very high	92.9	Very high	15 Å²	15	71.3 Å²	71.3	9%	0.091	34%	0.343	C	S	.	.			trans	-75.1	130	173.8	-169.9	0	0	0	0	110.4	N50 Y54 I57 D118	N50-V52 PolarHBondContact O-N 3.19Å; V52-Y54 HydrophobicContact CB-CE2 4.15Å; V52-Y54 HydrophobicContact CG1-CD1 4.04Å; V52-Y54 HydrophobicContact CG1-CD2 4.38Å; V52-Y54 HydrophobicContact CG1-CE1 3.86Å; V52-Y54 HydrophobicContact CG1-CE2 4.21Å; V52-Y54 HydrophobicContact CG1-CG 4.3Å; V52-I57 HydrophobicContact CG1-CD1 3.45Å; V52-I57 VanDerWaalsContact CG1-CD1 3.45Å; V52-D118 HydrophobicContact CG2-CB 3.51Å
53	D	96.2	Very high	93.5	Very high	85 Å²	85	64.8 Å²	64.8	46%	0.455	32%	0.318	S	S	.	.			trans	-101.1	100.4	167.4	-173.2	-22.2	0	0	0	108.8	D55 R56 I57	D53-D55 VanDerWaalsContact C-N 3.32Å; D53-D55 WeakPolarHBondContact OD1-CB 3.23Å; D53-D55 PolarHBondContact OD1-N 2.78Å; D53-D55 VanDerWaalsContact OD1-N 3.07Å; D53-R56 HydrophobicContact CB-CB 3.76Å; D53-R56 WeakPolarHBondContact O-CB 3.48Å; D53-R56 PolarHBondContact O-N 2.71Å; D53-R56 PolarHBondContact OD1-N 3.44Å; D53-I57 PolarHBondContact O-N 3.44Å
54	Y	97	Very high	94.4	Very high	148 Å²	148	65.6 Å²	65.6	58%	0.58	31%	0.309	S	S	*	.	H	α-helix	trans	-71.3	-27.9	-178.5	-66.7	-76.4	0	0	0	112.8	V52 R56 I57 R58	V52-Y54 HydrophobicContact CB-CE2 4.15Å; V52-Y54 HydrophobicContact CG1-CD1 4.04Å; V52-Y54 HydrophobicContact CG1-CD2 4.38Å; V52-Y54 HydrophobicContact CG1-CE1 3.86Å; V52-Y54 HydrophobicContact CG1-CE2 4.21Å; V52-Y54 HydrophobicContact CG1-CG 4.3Å; Y54-R56 VanDerWaalsContact C-N 3.33Å; Y54-I57 HydrophobicContact CD1-CD1 4.21Å; Y54-I57 PolarHBondContact O-N 2.8Å; Y54-R58 PolarHBondContact O-N 3Å
55	D	97.8	Very high	94.7	Very high	88 Å²	88	58.7 Å²	58.7	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-66.5	-42.3	172.5	-69.3	-43.8	0	0	0	109.2	D53 I57 R58 D59	D53-D55 VanDerWaalsContact C-N 3.32Å; D53-D55 WeakPolarHBondContact OD1-CB 3.23Å; D53-D55 PolarHBondContact OD1-N 2.78Å; D53-D55 VanDerWaalsContact OD1-N 3.07Å; D55-I57 PolarHBondContact O-N 2.97Å; D55-R58 WeakPolarHBondContact O-CB 3.46Å; D55-R58 PolarHBondContact O-N 2.93Å; D55-R58 VanDerWaalsContact O-N 3.16Å; D55-R58 IonicContact OD1-CZ 3.51Å; D55-R58 IonicContact OD1-NH1 2.67Å; D55-R58 PolarHBondContact OD1-NH1 2.9Å; D55-R58 IonicContact OD1-NH2 3.08Å; D55-R58 PolarHBondContact OD1-NH2 2.78Å; D55-D59 PolarHBondContact O-N 2.8Å
56	R	96.6	Very high	95.3	Very high	87 Å²	87	56.9 Å²	56.9	33%	0.328	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-44.5	173.5	-170.8	59.1	173	174.7	1.7	112.2	D53 Y54 R58 D59 V60 A65 E68	D53-R56 HydrophobicContact CB-CB 3.76Å; D53-R56 WeakPolarHBondContact O-CB 3.48Å; D53-R56 PolarHBondContact O-N 2.71Å; D53-R56 PolarHBondContact OD1-N 3.44Å; Y54-R56 VanDerWaalsContact C-N 3.33Å; R56-R58 VanDerWaalsContact C-N 3.28Å; R56-R58 PolarHBondContact O-N 2.98Å; R56-D59 PolarHBondContact O-N 2.98Å; R56-D59 VanDerWaalsContact O-N 3.14Å; R56-V60 HydrophobicContact CG-CG2 4.02Å; R56-V60 VanDerWaalsContact CZ-CG1 3.48Å; R56-V60 VanDerWaalsContact O-CG2 3.23Å; R56-V60 WeakPolarHBondContact O-CG2 3.33Å; R56-V60 PolarHBondContact O-N 3.09Å; R56-A65 HydrophobicContact CG-CB 4.43Å; R56-E68 IonicContact CZ-OE1 3.47Å; R56-E68 IonicContact CZ-OE2 3.14Å; R56-E68 IonicContact NE-OE1 3.12Å; R56-E68 IonicContact NE-OE2 2.71Å; R56-E68 PolarHBondContact NE-OE2 3.1Å; R56-E68 IonicContact NH2-OE1 2.87Å; R56-E68 PolarHBondContact NH2-OE1 3.18Å; R56-E68 IonicContact NH2-OE2 2.78Å; R56-E68 PolarHBondContact NH2-OE2 3.5Å
57	I	97.1	Very high	95.9	Very high	39 Å²	39	55.8 Å²	55.8	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-58	-42.3	176.1	-68.7	169.4	0	0	0	111.2	V52 D53 Y54 D55 D59 G61 P62 A65	V52-I57 HydrophobicContact CG1-CD1 3.45Å; V52-I57 VanDerWaalsContact CG1-CD1 3.45Å; D53-I57 PolarHBondContact O-N 3.44Å; Y54-I57 HydrophobicContact CD1-CD1 4.21Å; Y54-I57 PolarHBondContact O-N 2.8Å; D55-I57 PolarHBondContact O-N 2.97Å; I57-D59 VanDerWaalsContact C-N 3.33Å; I57-D59 PolarHBondContact O-N 3.18Å; I57-G61 CarbonylContact O-C 3.52Å; I57-G61 WeakPolarHBondContact O-CA 3.43Å; I57-G61 PolarHBondContact O-N 3.17Å; I57-P62 HydrophobicContact CG2-CB 4.49Å; I57-A65 HydrophobicContact CB-CB 4.43Å; I57-A65 HydrophobicContact CG1-CB 3.6Å
58	R	96.4	Very high	96.5	Very high	167 Å²	167	54.4 Å²	54.4	63%	0.63	26%	0.255	S	S	*	.	H	α-helix	trans	-63.1	-39.9	176.8	-179.6	-174.5	62.1	-125.8	-7.5	111.9	Y54 D55 R56	Y54-R58 PolarHBondContact O-N 3Å; D55-R58 WeakPolarHBondContact O-CB 3.46Å; D55-R58 PolarHBondContact O-N 2.93Å; D55-R58 VanDerWaalsContact O-N 3.16Å; D55-R58 IonicContact OD1-CZ 3.51Å; D55-R58 IonicContact OD1-NH1 2.67Å; D55-R58 PolarHBondContact OD1-NH1 2.9Å; D55-R58 IonicContact OD1-NH2 3.08Å; D55-R58 PolarHBondContact OD1-NH2 2.78Å; R56-R58 VanDerWaalsContact C-N 3.28Å; R56-R58 PolarHBondContact O-N 2.98Å
59	D	95.1	Very high	96.8	Very high	92 Å²	92	51.2 Å²	51.2	49%	0.492	24%	0.236	S	C	.	.	H	α-helix	trans	-79.1	-36	-172.5	-64.4	-9.6	0	0	0	113.1	D55 R56 I57	D55-D59 PolarHBondContact O-N 2.8Å; R56-D59 PolarHBondContact O-N 2.98Å; R56-D59 VanDerWaalsContact O-N 3.14Å; I57-D59 VanDerWaalsContact C-N 3.33Å; I57-D59 PolarHBondContact O-N 3.18Å
60	V	95.6	Very high	97.2	Very high	19 Å²	19	47.7 Å²	47.7	12%	0.115	22%	0.221	C	C	.	.	H	α-helix	trans	-118.4	-6.5	-174.7	-58.2	0	0	0	0	115.3	R56 R64 A65	R56-V60 HydrophobicContact CG-CG2 4.02Å; R56-V60 VanDerWaalsContact CZ-CG1 3.48Å; R56-V60 VanDerWaalsContact O-CG2 3.23Å; R56-V60 WeakPolarHBondContact O-CG2 3.33Å; R56-V60 PolarHBondContact O-N 3.09Å; V60-R64 HydrophobicContact CB-CB 3.99Å; V60-R64 HydrophobicContact CB-CG 3.69Å; V60-R64 HydrophobicContact CG1-CG 4.48Å; V60-R64 HydrophobicContact CG2-CB 3.8Å; V60-R64 HydrophobicContact CG2-CG 3.56Å; V60-R64 WeakPolarHBondContact O-CB 3.32Å; V60-A65 HydrophobicContact CG2-CB 4.26Å
61	G	96.9	Very high	97.3	Very high	14 Å²	14	48.4 Å²	48.4	14%	0.144	22%	0.224	C	C	.	.			trans	85.1	163.2	-175.1	0	0	0	0	0	113.5	I57 A65	I57-G61 CarbonylContact O-C 3.52Å; I57-G61 WeakPolarHBondContact O-CA 3.43Å; I57-G61 PolarHBondContact O-N 3.17Å; G61-A65 WeakPolarHBondContact O-CB 3.21Å; G61-A65 PolarHBondContact O-N 2.98Å; G61-A65 VanDerWaalsContact O-N 3.11Å
62	P	97.8	Very high	97.4	Very high	31 Å²	31	45 Å²	45	20%	0.201	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-44.1	-172.1	26.3	-34.4	0	0	0	112.8	I57 R64 A65 A66 L123	I57-P62 HydrophobicContact CG2-CB 4.49Å; P62-R64 VanDerWaalsContact C-N 3.33Å; P62-R64 PolarHBondContact O-N 3.14Å; P62-A65 PolarHBondContact O-N 2.72Å; P62-A66 VanDerWaalsContact O-CB 3.24Å; P62-A66 WeakPolarHBondContact O-CB 3.36Å; P62-A66 PolarHBondContact O-N 3.43Å; P62-L123 HydrophobicContact CB-CD2 4.16Å
63	D	98.2	Very high	97.5	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-41	-179.3	-71.1	-90.9	0	0	0	112.3	S67 Y100 K101 I102 L123	D63-S67 WeakPolarHBondContact O-CB 3.47Å; D63-S67 PolarHBondContact O-N 2.98Å; D63-S67 PolarHBondContact O-OG 2.75Å; D63-Y100 WeakPolarHBondContact CB-O 3.48Å; D63-K101 WeakPolarHBondContact OD1-CA 3.48Å; D63-K101 VanDerWaalsContact OD2-CD 3.31Å; D63-K101 WeakPolarHBondContact OD2-CD 3.45Å; D63-K101 IonicContact OD2-NZ 2.71Å; D63-I102 HydrophobicContact CB-CG1 4.37Å; D63-I102 WeakPolarHBondContact O-CD1 3.26Å; D63-I102 PolarHBondContact OD1-N 3.23Å; D63-L123 VanDerWaalsContact CA-CD2 3.5Å; D63-L123 HydrophobicContact CB-CD2 4.22Å
64	R	97.8	Very high	97.5	Very high	58 Å²	58	42.5 Å²	42.5	22%	0.219	20%	0.204	C	C	.	.	H	α-helix	trans	-70.1	-46.3	178.3	177.5	55.7	-176	-116	3.7	111.4	V60 P62 A66 S67 E68 P93	V60-R64 HydrophobicContact CB-CB 3.99Å; V60-R64 HydrophobicContact CB-CG 3.69Å; V60-R64 HydrophobicContact CG1-CG 4.48Å; V60-R64 HydrophobicContact CG2-CB 3.8Å; V60-R64 HydrophobicContact CG2-CG 3.56Å; V60-R64 WeakPolarHBondContact O-CB 3.32Å; P62-R64 VanDerWaalsContact C-N 3.33Å; P62-R64 PolarHBondContact O-N 3.14Å; R64-A66 VanDerWaalsContact C-N 3.34Å; R64-A66 PolarHBondContact O-N 3.04Å; R64-S67 WeakPolarHBondContact O-CB 3.32Å; R64-S67 PolarHBondContact O-N 3.16Å; R64-E68 IonicContact CZ-OE1 2.64Å; R64-E68 IonicContact NE-OE1 2.74Å; R64-E68 PolarHBondContact NE-OE1 3.26Å; R64-E68 IonicContact NH2-OE1 3.42Å; R64-E68 PolarHBondContact NH2-OE1 2.94Å; R64-E68 WeakPolarHBondContact O-CG 3.47Å; R64-E68 PolarHBondContact O-N 2.95Å; R64-P93 PolarHBondContact NH1-O 3.41Å
65	A	97.8	Very high	97.6	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-40.6	177.9	0	0	0	0	0	112.1	R56 I57 V60 G61 P62 E68 W69	R56-A65 HydrophobicContact CG-CB 4.43Å; I57-A65 HydrophobicContact CB-CB 4.43Å; I57-A65 HydrophobicContact CG1-CB 3.6Å; V60-A65 HydrophobicContact CG2-CB 4.26Å; G61-A65 WeakPolarHBondContact O-CB 3.21Å; G61-A65 PolarHBondContact O-N 2.98Å; G61-A65 VanDerWaalsContact O-N 3.11Å; P62-A65 PolarHBondContact O-N 2.72Å; A65-E68 PolarHBondContact O-N 3.29Å; A65-W69 PolarHBondContact O-N 2.94Å
66	A	98.4	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-39.4	174.4	0	0	0	0	0	112.1	P62 R64 E68 W69 L70 I102 H119 L123	P62-A66 VanDerWaalsContact O-CB 3.24Å; P62-A66 WeakPolarHBondContact O-CB 3.36Å; P62-A66 PolarHBondContact O-N 3.43Å; R64-A66 VanDerWaalsContact C-N 3.34Å; R64-A66 PolarHBondContact O-N 3.04Å; A66-E68 VanDerWaalsContact C-N 3.34Å; A66-E68 PolarHBondContact O-N 3.22Å; A66-W69 PolarHBondContact O-N 3.14Å; A66-L70 WeakPolarHBondContact O-CB 3.12Å; A66-L70 WeakPolarHBondContact O-CD1 3.32Å; A66-L70 VanDerWaalsContact O-CG 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.04Å; A66-L70 PolarHBondContact O-N 2.89Å; A66-I102 HydrophobicContact CB-CD1 3.84Å; A66-H119 HydrophobicContact CB-CB 4.09Å; A66-L123 HydrophobicContact CB-CD1 3.92Å; A66-L123 HydrophobicContact CB-CD2 3.94Å; A66-L123 HydrophobicContact CB-CG 4.37Å
67	S	98.4	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-45.9	173.7	-57.8	0	0	0	0	111.2	D63 R64 W69 L70 L71 Y79	D63-S67 WeakPolarHBondContact O-CB 3.47Å; D63-S67 PolarHBondContact O-N 2.98Å; D63-S67 PolarHBondContact O-OG 2.75Å; R64-S67 WeakPolarHBondContact O-CB 3.32Å; R64-S67 PolarHBondContact O-N 3.16Å; S67-W69 VanDerWaalsContact C-N 3.3Å; S67-W69 PolarHBondContact O-N 3.15Å; S67-L70 PolarHBondContact O-N 2.89Å; S67-L71 WeakPolarHBondContact O-CB 3.25Å; S67-L71 WeakPolarHBondContact O-CD1 3.44Å; S67-L71 PolarHBondContact O-N 3.14Å; S67-Y79 VanDerWaalsContact CB-OH 3.3Å; S67-Y79 WeakPolarHBondContact CB-OH 3.44Å; S67-Y79 WeakPolarHBondContact OG-CE1 3.43Å; S67-Y79 PolarHBondContact OG-OH 2.96Å
68	E	98.2	Very high	97.8	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-40.5	176.7	-74.1	174.8	-179.1	0	0	111.9	R56 R64 A65 A66 R72 Y89 L92	R56-E68 IonicContact CZ-OE1 3.47Å; R56-E68 IonicContact CZ-OE2 3.14Å; R56-E68 IonicContact NE-OE1 3.12Å; R56-E68 IonicContact NE-OE2 2.71Å; R56-E68 PolarHBondContact NE-OE2 3.1Å; R56-E68 IonicContact NH2-OE1 2.87Å; R56-E68 PolarHBondContact NH2-OE1 3.18Å; R56-E68 IonicContact NH2-OE2 2.78Å; R56-E68 PolarHBondContact NH2-OE2 3.5Å; R64-E68 IonicContact CZ-OE1 2.64Å; R64-E68 IonicContact NE-OE1 2.74Å; R64-E68 PolarHBondContact NE-OE1 3.26Å; R64-E68 IonicContact NH2-OE1 3.42Å; R64-E68 PolarHBondContact NH2-OE1 2.94Å; R64-E68 WeakPolarHBondContact O-CG 3.47Å; R64-E68 PolarHBondContact O-N 2.95Å; A65-E68 PolarHBondContact O-N 3.29Å; A66-E68 VanDerWaalsContact C-N 3.34Å; A66-E68 PolarHBondContact O-N 3.22Å; E68-R72 WeakPolarHBondContact O-CB 3.47Å; E68-R72 VanDerWaalsContact O-CG 3.23Å; E68-R72 WeakPolarHBondContact O-CG 3.32Å; E68-R72 PolarHBondContact O-N 2.64Å; E68-R72 VanDerWaalsContact O-N 3.11Å; E68-Y89 HydrophobicContact CB-CE2 3.72Å; E68-Y89 HydrophobicContact CG-CE2 3.86Å; E68-Y89 WeakPolarHBondContact O-CE2 3.37Å; E68-L92 HydrophobicContact CB-CD1 4.47Å; E68-L92 HydrophobicContact CG-CD1 3.73Å
69	W	98.6	Very high	97.9	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-65.9	-49.1	174.9	166.2	53.8	0	0	0	113.3	N50 A65 A66 S67 L71 R72 C73 I112 G116 F117 H119 M120	N50-W69 PolarHBondContact OD1-NE1 3.05Å; A65-W69 PolarHBondContact O-N 2.94Å; A66-W69 PolarHBondContact O-N 3.14Å; S67-W69 VanDerWaalsContact C-N 3.3Å; S67-W69 PolarHBondContact O-N 3.15Å; W69-L71 PolarHBondContact O-N 3.12Å; W69-R72 VanDerWaalsContact CA-NH1 3.26Å; W69-R72 WeakPolarHBondContact O-CG 3.45Å; W69-R72 PolarHBondContact O-N 3.42Å; W69-C73 WeakPolarHBondContact O-CB 3.45Å; W69-C73 PolarHBondContact O-N 3.3Å; W69-C73 VanDerWaalsContact O-N 3.08Å; W69-C73 PolarHBondContact O-SG 2.83Å; W69-I112 HydrophobicContact CH2-CG2 4.21Å; W69-I112 HydrophobicContact CZ2-CB 3.87Å; W69-I112 HydrophobicContact CZ2-CG2 3.52Å; W69-G116 VanDerWaalsContact CH2-C 3.46Å; W69-G116 VanDerWaalsContact CH2-O 3.29Å; W69-G116 WeakPolarHBondContact CH2-O 3.34Å; W69-G116 WeakPolarHBondContact CZ2-O 3.21Å; W69-G116 WeakPolarHBondContact CZ3-O 3.21Å; W69-F117 HydrophobicContact CH2-CD1 4.48Å; W69-F117 HydrophobicContact CH2-CD2 4.46Å; W69-F117 HydrophobicContact CH2-CG 4.35Å; W69-H119 AromaticContact CD1-CE1 3.93Å; W69-H119 HydrophobicContact CD2-CB 4.16Å; W69-H119 AromaticContact CD2-CG 3.91Å; W69-H119 AromaticContact CD2-ND1 3.49Å; W69-H119 HydrophobicContact CE3-CB 3.56Å; W69-H119 AromaticContact CE3-CG 3.83Å; W69-H119 AromaticContact CE3-ND1 3.82Å; W69-H119 AromaticContact CG-CE1 3.62Å; W69-H119 AromaticContact CG-CG 3.99Å; W69-H119 AromaticContact CG-ND1 3.52Å; W69-H119 HydrophobicContact CZ3-CB 4.05Å; W69-M120 HydrophobicContact CZ3-CG 4.04Å; W69-M120 HydrophobicContact CZ3-SD 3.95Å
70	L	98.7	Very high	98	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-48.2	-178.9	-72.5	163.5	0	0	0	110.3	A66 S67 C73 G74 A75 V77 I102 I105 I112	A66-L70 WeakPolarHBondContact O-CB 3.12Å; A66-L70 WeakPolarHBondContact O-CD1 3.32Å; A66-L70 VanDerWaalsContact O-CG 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.04Å; A66-L70 PolarHBondContact O-N 2.89Å; S67-L70 PolarHBondContact O-N 2.89Å; L70-C73 CarbonylContact O-C 3.45Å; L70-C73 PolarHBondContact O-N 2.88Å; L70-G74 PolarHBondContact O-N 3.29Å; L70-A75 HydrophobicContact CB-CB 4.01Å; L70-A75 HydrophobicContact CD2-CB 4Å; L70-A75 WeakPolarHBondContact O-CA 3.32Å; L70-A75 WeakPolarHBondContact O-CB 3.29Å; L70-A75 PolarHBondContact O-N 2.92Å; L70-V77 HydrophobicContact CB-CG1 3.9Å; L70-V77 HydrophobicContact CD1-CG1 3.38Å; L70-V77 HydrophobicContact CG-CG1 4.25Å; L70-I102 HydrophobicContact CD1-CD1 4.35Å; L70-I105 HydrophobicContact CD1-CD1 3.83Å; L70-I105 HydrophobicContact CD1-CG1 3.96Å; L70-I105 HydrophobicContact CD1-CG2 4.1Å; L70-I105 HydrophobicContact CD2-CG2 3.85Å; L70-I112 HydrophobicContact CD2-CG2 4.28Å
71	L	98.5	Very high	98.1	Very high	14 Å²	14	24.5 Å²	24.5	7%	0.073	15%	0.15	C	C	.	.	H	α-helix	trans	-68.8	-39.5	-177.4	-82.7	75	0	0	0	113	S67 W69 C73 G74 A75 V77 Q86 Y89 L92	S67-L71 WeakPolarHBondContact O-CB 3.25Å; S67-L71 WeakPolarHBondContact O-CD1 3.44Å; S67-L71 PolarHBondContact O-N 3.14Å; W69-L71 PolarHBondContact O-N 3.12Å; L71-C73 PolarHBondContact O-N 2.8Å; L71-G74 PolarHBondContact O-N 2.79Å; L71-A75 WeakPolarHBondContact CA-O 3.37Å; L71-V77 HydrophobicContact CD1-CG1 4.16Å; L71-V77 HydrophobicContact CD1-CG2 3.88Å; L71-Q86 HydrophobicContact CD1-CB 4.48Å; L71-Q86 HydrophobicContact CD2-CB 4.13Å; L71-Y89 HydrophobicContact CB-CD2 4.23Å; L71-L92 HydrophobicContact CD1-CD2 4.31Å; L71-L92 HydrophobicContact CD2-CD1 4.23Å; L71-L92 HydrophobicContact CD2-CD2 3.72Å; L71-L92 HydrophobicContact CD2-CG 3.86Å
72	R	98	Very high	98	Very high	75 Å²	75	26.4 Å²	26.4	28%	0.283	16%	0.155	S	C	.	.	H	α-helix	trans	-67.1	-24.2	175.2	76.6	-171.1	177.7	-119.8	2.2	112.5	F49 K51 E68 W69 G74 Y89 H119	F49-R72 HydrophobicContact CD1-CG 4.37Å; F49-R72 WeakPolarHBondContact CD1-O 3.26Å; F49-R72 WeakPolarHBondContact CE1-O 3.5Å; F49-R72 VanDerWaalsContact O-CZ 3.28Å; F49-R72 PolarHBondContact O-NE 3.37Å; F49-R72 PolarHBondContact O-NH2 3.28Å; K51-R72 PolarHBondContact O-NH2 2.66Å; E68-R72 WeakPolarHBondContact O-CB 3.47Å; E68-R72 VanDerWaalsContact O-CG 3.23Å; E68-R72 WeakPolarHBondContact O-CG 3.32Å; E68-R72 PolarHBondContact O-N 2.64Å; E68-R72 VanDerWaalsContact O-N 3.11Å; W69-R72 VanDerWaalsContact CA-NH1 3.26Å; W69-R72 WeakPolarHBondContact O-CG 3.45Å; W69-R72 PolarHBondContact O-N 3.42Å; R72-G74 VanDerWaalsContact C-N 3.32Å; R72-Y89 HydrophobicContact CB-CD2 4.25Å; R72-Y89 HydrophobicContact CB-CE2 4.41Å; R72-H119 PolarHBondContact NH2-CE1 3.19Å; R72-H119 PolarHBondContact NH2-NE2 3.38Å
73	C	98	Very high	97.9	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.027	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	8.2	172.8	-71.7	0	0	0	0	113.6	W69 L70 L71 S110 C111 I112	W69-C73 WeakPolarHBondContact O-CB 3.45Å; W69-C73 PolarHBondContact O-N 3.3Å; W69-C73 VanDerWaalsContact O-N 3.08Å; W69-C73 PolarHBondContact O-SG 2.83Å; L70-C73 CarbonylContact O-C 3.45Å; L70-C73 PolarHBondContact O-N 2.88Å; L71-C73 PolarHBondContact O-N 2.8Å; C73-S110 VanDerWaalsContact O-CA 3.3Å; C73-S110 WeakPolarHBondContact O-CA 3.43Å; C73-S110 WeakPolarHBondContact O-CB 3.36Å; C73-S110 PolarHBondContact O-OG 3.08Å; C73-C111 VanDerWaalsContact CA-SG 3.54Å; C73-C111 PolarHBondContact O-N 2.65Å; C73-I112 HydrophobicContact CB-CG2 3.59Å
74	G	97.8	Very high	97.9	Very high	43 Å²	43	42.3 Å²	42.3	44%	0.443	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	13.5	177.4	0	0	0	0	0	115.2	L70 L71 R72	L70-G74 PolarHBondContact O-N 3.29Å; L71-G74 PolarHBondContact O-N 2.79Å; R72-G74 VanDerWaalsContact C-N 3.32Å
75	A	98.6	Very high	97.9	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	22%	0.223	C	C	.	.			trans	-90.2	169.7	169.7	0	0	0	0	0	111.3	L70 L71 D106 A107	L70-A75 HydrophobicContact CB-CB 4.01Å; L70-A75 HydrophobicContact CD2-CB 4Å; L70-A75 WeakPolarHBondContact O-CA 3.32Å; L70-A75 WeakPolarHBondContact O-CB 3.29Å; L70-A75 PolarHBondContact O-N 2.92Å; L71-A75 WeakPolarHBondContact CA-O 3.37Å; A75-D106 CarbonylContact C-O 3.18Å; A75-D106 WeakPolarHBondContact CA-O 3.48Å; A75-A107 HydrophobicContact CB-CB 3.83Å
76	M	98.7	Very high	97.9	Very high	66 Å²	66	44.3 Å²	44.3	33%	0.325	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.3	179.9	-53.7	175.8	-173.9	0	0	109.5	W85 Q86 M87 I105 D106	M76-W85 HydrophobicContact CB-CE3 3.87Å; M76-W85 HydrophobicContact CB-CZ3 4.41Å; M76-Q86 VanDerWaalsContact CA-O 3.3Å; M76-Q86 WeakPolarHBondContact CA-O 3.33Å; M76-Q86 WeakPolarHBondContact CB-O 3.21Å; M76-M87 HydrophobicContact CB-CG 4.36Å; M76-M87 HydrophobicContact CE-CB 4.35Å; M76-M87 HydrophobicContact CE-CG 4.19Å; M76-M87 HydrophobicContact CE-SD 3.98Å; M76-M87 HydrophobicContact CG-CB 4.13Å; M76-M87 HydrophobicContact CG-CG 3.86Å; M76-M87 HydrophobicContact SD-CB 4.22Å; M76-M87 HydrophobicContact SD-CG 3.55Å; M76-M87 VanDerWaalsContact SD-CG 3.55Å; M76-M87 HydrophobicContact SD-SD 3.62Å; M76-M87 VanDerWaalsContact SD-SD 3.62Å; M76-I105 WeakPolarHBondContact O-CA 3.48Å; M76-D106 HydrophobicContact CB-CB 4.48Å; M76-D106 PolarHBondContact N-O 2.81Å; M76-D106 PolarHBondContact O-N 3.29Å
77	V	98.8	Very high	97.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.9	174.1	-55.5	0	0	0	0	111.3	L70 L71 Y79 W85 Q86 I102 A104 I105	L70-V77 HydrophobicContact CB-CG1 3.9Å; L70-V77 HydrophobicContact CD1-CG1 3.38Å; L70-V77 HydrophobicContact CG-CG1 4.25Å; L71-V77 HydrophobicContact CD1-CG1 4.16Å; L71-V77 HydrophobicContact CD1-CG2 3.88Å; V77-Y79 HydrophobicContact CG2-CE1 4.07Å; V77-W85 VanDerWaalsContact C-CE3 3.49Å; V77-Q86 HydrophobicContact CG2-CB 3.88Å; V77-Q86 HydrophobicContact CG2-CG 4.07Å; V77-Q86 PolarHBondContact N-O 3.45Å; V77-Q86 VanDerWaalsContact N-O 3.15Å; V77-Q86 WeakPolarHBondContact O-CB 3.42Å; V77-Q86 PolarHBondContact O-N 2.85Å; V77-I102 HydrophobicContact CB-CG2 4.34Å; V77-I102 HydrophobicContact CG1-CD1 4.33Å; V77-I102 HydrophobicContact CG1-CG2 4.45Å; V77-A104 CarbonylContact C-O 3.52Å; V77-A104 WeakPolarHBondContact CA-O 3.28Å; V77-I105 HydrophobicContact CG1-CG1 4.36Å
78	R	98.7	Very high	97.8	Very high	40 Å²	40	53.6 Å²	53.6	15%	0.151	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.6	169.6	-170.8	172.2	56.8	69.2	6.4	109.3	Q82 E83 W85 Q103 A104	R78-Q82 WeakPolarHBondContact CD-O 3.37Å; R78-Q82 VanDerWaalsContact CG-O 3.29Å; R78-Q82 WeakPolarHBondContact CG-O 3.2Å; R78-Q82 PolarHBondContact NH1-O 3.25Å; R78-E83 WeakPolarHBondContact CD-O 3.14Å; R78-W85 HydrophobicContact CB-CD2 3.76Å; R78-W85 HydrophobicContact CB-CE3 3.77Å; R78-W85 HydrophobicContact CB-CG 4.32Å; R78-W85 HydrophobicContact CB-CH2 4.25Å; R78-W85 HydrophobicContact CB-CZ2 4.24Å; R78-W85 HydrophobicContact CB-CZ3 4.01Å; R78-W85 HydrophobicContact CG-CD2 4.48Å; R78-Q103 PolarHBondContact O-N 3.36Å; R78-A104 HydrophobicContact CB-CB 4.26Å; R78-A104 PolarHBondContact N-O 3.24Å; R78-A104 PolarHBondContact O-N 3.49Å; R78-A104 VanDerWaalsContact O-N 3.14Å
79	Y	98.4	Very high	97.7	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	154.7	-179.4	-59.8	-54.5	0	0	0	112.1	S67 V77 G81 Q82 Q86 P93 Y100 K101 I102	S67-Y79 VanDerWaalsContact CB-OH 3.3Å; S67-Y79 WeakPolarHBondContact CB-OH 3.44Å; S67-Y79 WeakPolarHBondContact OG-CE1 3.43Å; S67-Y79 PolarHBondContact OG-OH 2.96Å; V77-Y79 HydrophobicContact CG2-CE1 4.07Å; Y79-G81 PolarHBondContact O-N 3.2Å; Y79-Q82 PolarHBondContact O-N 3.24Å; Y79-Q82 VanDerWaalsContact O-N 3.1Å; Y79-Q86 HydrophobicContact CD2-CG 4.01Å; Y79-Q86 HydrophobicContact CE2-CG 3.53Å; Y79-P93 HydrophobicContact CD2-CG 4.49Å; Y79-P93 HydrophobicContact CE2-CG 3.71Å; Y79-Y100 AromaticContact CD2-CD1 3.89Å; Y79-Y100 HydrophobicContact CD2-CD1 3.89Å; Y79-Y100 HydrophobicContact CD2-CG 4.05Å; Y79-Y100 HydrophobicContact CE2-CD1 4.44Å; Y79-Y100 HydrophobicContact CE2-CG 4.2Å; Y79-Y100 HydrophobicContact CG-CD1 4.26Å; Y79-Y100 HydrophobicContact CG-CG 4.38Å; Y79-K101 CarbonylContact C-O 3.59Å; Y79-K101 WeakPolarHBondContact CA-O 3.2Å; Y79-I102 HydrophobicContact CD1-CG1 4.19Å; Y79-I102 HydrophobicContact CE1-CG1 3.86Å
80	H	97.3	Very high	97.7	Very high	68 Å²	68	64.3 Å²	64.3	32%	0.315	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	136.8	170.5	-94.9	-74.4	0	0	0	111.6	Q82 K101 Q103 H125 E127	H80-Q82 PolarHBondContact O-N 3.02Å; H80-K101 PolarHBondContact N-O 3.34Å; H80-Q103 PolarHBondContact CE1-NE2 3.11Å; H80-H125 PolarHBondContact NE2-O 2.97Å; H80-E127 IonicContact CE1-OE1 2.81Å; H80-E127 PolarHBondContact CE1-OE1 3.15Å; H80-E127 IonicContact CE1-OE2 3.2Å; H80-E127 IonicContact NE2-OE1 3.62Å
81	G	96.2	Very high	97.5	Very high	84 Å²	84	70.1 Å²	70.1	87%	0.866	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	9.6	-177.5	0	0	0	0	0	114.8	Y79	Y79-G81 PolarHBondContact O-N 3.2Å
82	Q	96.2	Very high	97.4	Very high	55 Å²	55	69.8 Å²	69.8	26%	0.257	35%	0.35	S	S	.	.			trans	-120	136.5	175.6	-60.9	-167.7	-10.2	0	0	111.9	R78 Y79 H80 Y100	R78-Q82 WeakPolarHBondContact CD-O 3.37Å; R78-Q82 VanDerWaalsContact CG-O 3.29Å; R78-Q82 WeakPolarHBondContact CG-O 3.2Å; R78-Q82 PolarHBondContact NH1-O 3.25Å; Y79-Q82 PolarHBondContact O-N 3.24Å; Y79-Q82 VanDerWaalsContact O-N 3.1Å; H80-Q82 PolarHBondContact O-N 3.02Å; Q82-Y100 VanDerWaalsContact NE2-CE1 3.26Å
83	E	95.8	Very high	97.1	Very high	185 Å²	185	67.5 Å²	67.5	86%	0.864	35%	0.345	S	S	*	.			trans	-82.9	-32.9	170.6	-63.2	-176.8	170.9	0	0	111.6	R78	R78-E83 WeakPolarHBondContact CD-O 3.14Å
84	R	97	Very high	96.7	Very high	182 Å²	182	73.6 Å²	73.6	69%	0.687	38%	0.382	S	S	*	.	S	Bend	trans	-75.6	133.1	-175.6	-177.2	175.4	176.1	179.8	-0.2	112
85	W	98.3	Very high	96	Very high	84 Å²	84	73.2 Å²	73.2	32%	0.318	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.2	170.2	-70.7	84.1	0	0	0	112.2	M76 V77 R78 M87 A104 D106	M76-W85 HydrophobicContact CB-CE3 3.87Å; M76-W85 HydrophobicContact CB-CZ3 4.41Å; V77-W85 VanDerWaalsContact C-CE3 3.49Å; R78-W85 HydrophobicContact CB-CD2 3.76Å; R78-W85 HydrophobicContact CB-CE3 3.77Å; R78-W85 HydrophobicContact CB-CG 4.32Å; R78-W85 HydrophobicContact CB-CH2 4.25Å; R78-W85 HydrophobicContact CB-CZ2 4.24Å; R78-W85 HydrophobicContact CB-CZ3 4.01Å; R78-W85 HydrophobicContact CG-CD2 4.48Å; W85-M87 HydrophobicContact CB-CG 4.07Å; W85-A104 HydrophobicContact CH2-CB 3.59Å; W85-A104 HydrophobicContact CZ2-CB 4.17Å; W85-A104 HydrophobicContact CZ3-CB 4.25Å; W85-D106 HydrophobicContact CH2-CB 3.96Å; W85-D106 HydrophobicContact CZ3-CB 3.78Å
86	Q	98.3	Very high	95.5	Very high	17 Å²	17	77.3 Å²	77.3	8%	0.079	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.8	169.3	-48.2	-54.6	-33.5	0	0	108.3	L71 M76 V77 Y79 L92	L71-Q86 HydrophobicContact CD1-CB 4.48Å; L71-Q86 HydrophobicContact CD2-CB 4.13Å; M76-Q86 VanDerWaalsContact CA-O 3.3Å; M76-Q86 WeakPolarHBondContact CA-O 3.33Å; M76-Q86 WeakPolarHBondContact CB-O 3.21Å; V77-Q86 HydrophobicContact CG2-CB 3.88Å; V77-Q86 HydrophobicContact CG2-CG 4.07Å; V77-Q86 PolarHBondContact N-O 3.45Å; V77-Q86 VanDerWaalsContact N-O 3.15Å; V77-Q86 WeakPolarHBondContact O-CB 3.42Å; V77-Q86 PolarHBondContact O-N 2.85Å; Y79-Q86 HydrophobicContact CD2-CG 4.01Å; Y79-Q86 HydrophobicContact CE2-CG 3.53Å; Q86-L92 HydrophobicContact CB-CD2 4.12Å; Q86-L92 HydrophobicContact CG-CD2 4.42Å
87	M	97	Very high	94.8	Very high	128 Å²	128	80.3 Å²	80.3	63%	0.631	42%	0.421	S	S	*	.			trans	-125.6	-15.5	-174.6	-46.9	-175.9	-61.7	0	0	112.6	M76 W85	M76-M87 HydrophobicContact CB-CG 4.36Å; M76-M87 HydrophobicContact CE-CB 4.35Å; M76-M87 HydrophobicContact CE-CG 4.19Å; M76-M87 HydrophobicContact CE-SD 3.98Å; M76-M87 HydrophobicContact CG-CB 4.13Å; M76-M87 HydrophobicContact CG-CG 3.86Å; M76-M87 HydrophobicContact SD-CB 4.22Å; M76-M87 HydrophobicContact SD-CG 3.55Å; M76-M87 VanDerWaalsContact SD-CG 3.55Å; M76-M87 HydrophobicContact SD-SD 3.62Å; M76-M87 VanDerWaalsContact SD-SD 3.62Å; W85-M87 HydrophobicContact CB-CG 4.07Å
88	D	96.8	Very high	94.2	Very high	67 Å²	67	84.3 Å²	84.3	36%	0.358	44%	0.442	S	S	.	.			trans	-118.2	120	178.9	-176.9	-13.8	0	0	0	109.3	N90 H91	D88-N90 PolarHBondContact O-N 2.74Å; D88-N90 PolarHBondContact OD1-N 3.19Å; D88-H91 HydrophobicContact CB-CB 4.25Å; D88-H91 WeakPolarHBondContact CB-ND1 3.29Å; D88-H91 PolarHBondContact O-N 3.12Å; D88-H91 IonicContact OD1-ND1 3.64Å; D88-H91 IonicContact OD2-CE1 2.62Å; D88-H91 PolarHBondContact OD2-CE1 2.97Å; D88-H91 IonicContact OD2-CG 3.14Å; D88-H91 IonicContact OD2-ND1 3.89Å; D88-H91 PolarHBondContact OD2-ND1 3.16Å
89	Y	96.9	Very high	93.9	Very high	97 Å²	97	88.6 Å²	88.6	38%	0.38	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-53.6	-40.7	-178.9	-178.4	-87	0	0	0	112.1	E68 L71 R72 H91 L92	E68-Y89 HydrophobicContact CB-CE2 3.72Å; E68-Y89 HydrophobicContact CG-CE2 3.86Å; E68-Y89 WeakPolarHBondContact O-CE2 3.37Å; L71-Y89 HydrophobicContact CB-CD2 4.23Å; R72-Y89 HydrophobicContact CB-CD2 4.25Å; R72-Y89 HydrophobicContact CB-CE2 4.41Å; Y89-H91 PolarHBondContact O-N 3.46Å; Y89-L92 HydrophobicContact CD2-CD1 4.21Å; Y89-L92 HydrophobicContact CE2-CD1 4.45Å; Y89-L92 WeakPolarHBondContact O-CB 3.32Å; Y89-L92 WeakPolarHBondContact O-CG 3.43Å; Y89-L92 PolarHBondContact O-N 3.23Å
90	N	96.9	Very high	93.8	Very high	136 Å²	136	91.2 Å²	91.2	73%	0.727	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-72.1	-15.7	-176.5	-61.3	-49.3	0	0	0	112.8	D88	D88-N90 PolarHBondContact O-N 2.74Å; D88-N90 PolarHBondContact OD1-N 3.19Å
91	H	95.5	Very high	93.9	Very high	124 Å²	124	90.1 Å²	90.1	57%	0.574	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-100	8.7	178.6	-66.2	112.7	0	0	0	113.2	D88 Y89	D88-H91 HydrophobicContact CB-CB 4.25Å; D88-H91 WeakPolarHBondContact CB-ND1 3.29Å; D88-H91 PolarHBondContact O-N 3.12Å; D88-H91 IonicContact OD1-ND1 3.64Å; D88-H91 IonicContact OD2-CE1 2.62Å; D88-H91 PolarHBondContact OD2-CE1 2.97Å; D88-H91 IonicContact OD2-CG 3.14Å; D88-H91 IonicContact OD2-ND1 3.89Å; D88-H91 PolarHBondContact OD2-ND1 3.16Å; Y89-H91 PolarHBondContact O-N 3.46Å
92	L	96.1	Very high	94	Very high	7 Å²	7	86.1 Å²	86.1	4%	0.037	43%	0.426	C	S	.	.	S	Bend	trans	-59.6	132.7	174.2	-77.8	173.7	0	0	0	111	E68 L71 Q86 Y89 T94	E68-L92 HydrophobicContact CB-CD1 4.47Å; E68-L92 HydrophobicContact CG-CD1 3.73Å; L71-L92 HydrophobicContact CD1-CD2 4.31Å; L71-L92 HydrophobicContact CD2-CD1 4.23Å; L71-L92 HydrophobicContact CD2-CD2 3.72Å; L71-L92 HydrophobicContact CD2-CG 3.86Å; Q86-L92 HydrophobicContact CB-CD2 4.12Å; Q86-L92 HydrophobicContact CG-CD2 4.42Å; Y89-L92 HydrophobicContact CD2-CD1 4.21Å; Y89-L92 HydrophobicContact CE2-CD1 4.45Å; Y89-L92 WeakPolarHBondContact O-CB 3.32Å; Y89-L92 WeakPolarHBondContact O-CG 3.43Å; Y89-L92 PolarHBondContact O-N 3.23Å; L92-T94 PolarHBondContact O-N 3.25Å
93	P	92.3	Very high	94.1	Very high	27 Å²	27	85 Å²	85	18%	0.175	42%	0.42	C	S	.	.			trans	-68.1	124.4	-168	27.5	-35.8	0	0	0	111.9	R64 Y79 G95 Y100	R64-P93 PolarHBondContact NH1-O 3.41Å; Y79-P93 HydrophobicContact CD2-CG 4.49Å; Y79-P93 HydrophobicContact CE2-CG 3.71Å; P93-G95 PolarHBondContact O-N 3.37Å; P93-Y100 HydrophobicContact CB-CD2 4.02Å; P93-Y100 HydrophobicContact CB-CE2 3.5Å; P93-Y100 HydrophobicContact CG-CD1 4.43Å; P93-Y100 HydrophobicContact CG-CD2 3.59Å; P93-Y100 HydrophobicContact CG-CE1 4.48Å; P93-Y100 HydrophobicContact CG-CE2 3.63Å; P93-Y100 HydrophobicContact CG-CG 4Å
94	T	88.4	Confident	94.3	Very high	131 Å²	131	76.2 Å²	76.2	80%	0.804	38%	0.38	S	S	*	.			trans	-85.5	19	178.1	53.5	0	0	0	0	113.7	L92	L92-T94 PolarHBondContact O-N 3.25Å
95	G	84.1	Confident	94.3	Very high	36 Å²	36	67.8 Å²	67.8	37%	0.371	35%	0.348	S	S	.	.			trans	-66.6	-169.4	-178.4	0	0	0	0	0	113.8	P93 L97	P93-G95 PolarHBondContact O-N 3.37Å; G95-L97 PolarHBondContact O-N 2.91Å
96	P	88.1	Confident	94.4	Very high	87 Å²	87	65.6 Å²	65.6	57%	0.565	34%	0.342	S	S	*	.	S	Bend	trans	-50.4	139.6	-179	-24.9	32.5	0	0	0	112.1	D98 K99	P96-D98 PolarHBondContact O-N 3.22Å; P96-K99 HydrophobicContact CB-CB 4.24Å; P96-K99 HydrophobicContact CB-CD 4.47Å; P96-K99 HydrophobicContact CG-CD 4.11Å; P96-K99 VanDerWaalsContact O-CB 3.27Å; P96-K99 WeakPolarHBondContact O-CB 3.32Å; P96-K99 PolarHBondContact O-N 3.28Å
97	L	84.6	Confident	94.4	Very high	129 Å²	129	64.8 Å²	64.8	68%	0.675	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	140.3	176.4	-71.9	174.8	0	0	0	110.1	G95 K99	G95-L97 PolarHBondContact O-N 2.91Å; L97-K99 PolarHBondContact O-N 3.32Å
98	D	84.1	Confident	94.5	Very high	84 Å²	84	60.8 Å²	60.8	45%	0.449	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	6.4	175.5	-152.5	44.5	0	0	0	116.6	P96 K101	P96-D98 PolarHBondContact O-N 3.22Å; D98-K101 WeakPolarHBondContact O-CE 3.33Å; D98-K101 PolarHBondContact O-NZ 3.27Å; D98-K101 IonicContact OD1-NZ 3.98Å; D98-K101 PolarHBondContact OD1-NZ 3.4Å; D98-K101 IonicContact OD2-NZ 2.78Å; D98-K101 PolarHBondContact OD2-NZ 3.18Å
99	K	93.7	Very high	94.5	Very high	131 Å²	131	62.7 Å²	62.7	57%	0.57	33%	0.332	S	S	*	.			trans	-66.5	-39.7	-179.6	-179.7	178.2	179.2	-179.2	0	113.5	P96 L97	P96-K99 HydrophobicContact CB-CB 4.24Å; P96-K99 HydrophobicContact CB-CD 4.47Å; P96-K99 HydrophobicContact CG-CD 4.11Å; P96-K99 VanDerWaalsContact O-CB 3.27Å; P96-K99 WeakPolarHBondContact O-CB 3.32Å; P96-K99 PolarHBondContact O-N 3.28Å; L97-K99 PolarHBondContact O-N 3.32Å
100	Y	96.6	Very high	94.6	Very high	57 Å²	57	58.3 Å²	58.3	22%	0.224	32%	0.315	C	S	.	.			trans	-96.5	118.2	-171.3	-61.7	-73.1	0	0	0	110.2	D63 Y79 Q82 P93	D63-Y100 WeakPolarHBondContact CB-O 3.48Å; Y79-Y100 AromaticContact CD2-CD1 3.89Å; Y79-Y100 HydrophobicContact CD2-CD1 3.89Å; Y79-Y100 HydrophobicContact CD2-CG 4.05Å; Y79-Y100 HydrophobicContact CE2-CD1 4.44Å; Y79-Y100 HydrophobicContact CE2-CG 4.2Å; Y79-Y100 HydrophobicContact CG-CD1 4.26Å; Y79-Y100 HydrophobicContact CG-CG 4.38Å; Q82-Y100 VanDerWaalsContact NE2-CE1 3.26Å; P93-Y100 HydrophobicContact CB-CD2 4.02Å; P93-Y100 HydrophobicContact CB-CE2 3.5Å; P93-Y100 HydrophobicContact CG-CD1 4.43Å; P93-Y100 HydrophobicContact CG-CD2 3.59Å; P93-Y100 HydrophobicContact CG-CE1 4.48Å; P93-Y100 HydrophobicContact CG-CE2 3.63Å; P93-Y100 HydrophobicContact CG-CG 4Å
101	K	98.1	Very high	94.6	Very high	44 Å²	44	53.1 Å²	53.1	19%	0.191	29%	0.29	C	S	.	.			trans	-107.9	126	-179.4	-56.9	-55.3	-171.6	175.5	0	110.5	D63 Y79 H80 D98 Q103 H125	D63-K101 WeakPolarHBondContact OD1-CA 3.48Å; D63-K101 VanDerWaalsContact OD2-CD 3.31Å; D63-K101 WeakPolarHBondContact OD2-CD 3.45Å; D63-K101 IonicContact OD2-NZ 2.71Å; Y79-K101 CarbonylContact C-O 3.59Å; Y79-K101 WeakPolarHBondContact CA-O 3.2Å; H80-K101 PolarHBondContact N-O 3.34Å; D98-K101 WeakPolarHBondContact O-CE 3.33Å; D98-K101 PolarHBondContact O-NZ 3.27Å; D98-K101 IonicContact OD1-NZ 3.98Å; D98-K101 PolarHBondContact OD1-NZ 3.4Å; D98-K101 IonicContact OD2-NZ 2.78Å; D98-K101 PolarHBondContact OD2-NZ 3.18Å; K101-Q103 PolarHBondContact O-N 3.16Å; K101-H125 HydrophobicContact CB-CB 4.22Å
102	I	98.7	Very high	94.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123.3	-179.9	-61.4	172.8	0	0	0	108.5	D63 A66 L70 V77 Y79 I105 L123 H125 V126	D63-I102 HydrophobicContact CB-CG1 4.37Å; D63-I102 WeakPolarHBondContact O-CD1 3.26Å; D63-I102 PolarHBondContact OD1-N 3.23Å; A66-I102 HydrophobicContact CB-CD1 3.84Å; L70-I102 HydrophobicContact CD1-CD1 4.35Å; V77-I102 HydrophobicContact CB-CG2 4.34Å; V77-I102 HydrophobicContact CG1-CD1 4.33Å; V77-I102 HydrophobicContact CG1-CG2 4.45Å; Y79-I102 HydrophobicContact CD1-CG1 4.19Å; Y79-I102 HydrophobicContact CE1-CG1 3.86Å; I102-I105 HydrophobicContact CG2-CD1 4.12Å; I102-I105 HydrophobicContact CG2-CG1 3.66Å; I102-L123 HydrophobicContact CD1-CD1 4.09Å; I102-L123 HydrophobicContact CD1-CD2 4.26Å; I102-H125 CarbonylContact O-C 3.54Å; I102-H125 VanDerWaalsContact O-O 3.09Å; I102-V126 HydrophobicContact CB-CG2 4.26Å; I102-V126 HydrophobicContact CG2-CG2 4.07Å; I102-V126 PolarHBondContact O-N 3.44Å
103	Q	98.8	Very high	94.6	Very high	32 Å²	32	49.3 Å²	49.3	15%	0.15	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-42.7	173.8	-174.2	178	30.1	0	0	111.4	R78 H80 K101 E127 K128	R78-Q103 PolarHBondContact O-N 3.36Å; H80-Q103 PolarHBondContact CE1-NE2 3.11Å; K101-Q103 PolarHBondContact O-N 3.16Å; Q103-E127 HydrophobicContact CG-CB 4.29Å; Q103-E127 HydrophobicContact CG-CG 4.39Å; Q103-E127 WeakPolarHBondContact CG-OE2 3.45Å; Q103-E127 PolarHBondContact NE2-OE2 3.36Å; Q103-E127 PolarHBondContact O-N 3.15Å; Q103-K128 PolarHBondContact O-N 2.92Å; Q103-K128 VanDerWaalsContact O-N 3.12Å
104	A	98.9	Very high	94.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.3	-176.3	0	0	0	0	0	111.5	V77 R78 W85 K128	V77-A104 CarbonylContact C-O 3.52Å; V77-A104 WeakPolarHBondContact CA-O 3.28Å; R78-A104 HydrophobicContact CB-CB 4.26Å; R78-A104 PolarHBondContact N-O 3.24Å; R78-A104 PolarHBondContact O-N 3.49Å; R78-A104 VanDerWaalsContact O-N 3.14Å; W85-A104 HydrophobicContact CH2-CB 3.59Å; W85-A104 HydrophobicContact CZ2-CB 4.17Å; W85-A104 HydrophobicContact CZ3-CB 4.25Å; A104-K128 CarbonylContact C-O 3.55Å; A104-K128 WeakPolarHBondContact CA-O 3.42Å; A104-K128 HydrophobicContact CB-CB 3.86Å; A104-K128 HydrophobicContact CB-CG 4.47Å
105	I	98.9	Very high	94.7	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.5	178.2	-60.5	169.3	0	0	0	108	L70 M76 V77 I102 M120 V126 K128 I129 R130	L70-I105 HydrophobicContact CD1-CD1 3.83Å; L70-I105 HydrophobicContact CD1-CG1 3.96Å; L70-I105 HydrophobicContact CD1-CG2 4.1Å; L70-I105 HydrophobicContact CD2-CG2 3.85Å; M76-I105 WeakPolarHBondContact O-CA 3.48Å; V77-I105 HydrophobicContact CG1-CG1 4.36Å; I102-I105 HydrophobicContact CG2-CD1 4.12Å; I102-I105 HydrophobicContact CG2-CG1 3.66Å; I105-M120 HydrophobicContact CD1-CE 3.55Å; I105-M120 HydrophobicContact CD1-SD 3.94Å; I105-V126 HydrophobicContact CD1-CG1 4.01Å; I105-V126 HydrophobicContact CD1-CG2 4.43Å; I105-V126 HydrophobicContact CG1-CG1 4.49Å; I105-K128 PolarHBondContact N-O 2.76Å; I105-I129 HydrophobicContact CD1-CG1 4.47Å; I105-R130 PolarHBondContact O-N 2.99Å
106	D	98.9	Very high	95.3	Very high	37 Å²	37	46 Å²	46	20%	0.198	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	105.3	169.8	-174.3	-19.3	0	0	0	109	A75 M76 W85 T108	A75-D106 CarbonylContact C-O 3.18Å; A75-D106 WeakPolarHBondContact CA-O 3.48Å; M76-D106 HydrophobicContact CB-CB 4.48Å; M76-D106 PolarHBondContact N-O 2.81Å; M76-D106 PolarHBondContact O-N 3.29Å; W85-D106 HydrophobicContact CH2-CB 3.96Å; W85-D106 HydrophobicContact CZ3-CB 3.78Å; D106-T108 WeakPolarHBondContact OD1-CB 3.44Å; D106-T108 PolarHBondContact OD1-N 2.86Å; D106-T108 VanDerWaalsContact OD1-N 3.08Å; D106-T108 PolarHBondContact OD1-OG1 2.58Å
107	A	98.7	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	57.7	177.9	0	0	0	0	0	111.1	A75 I112 R130 L131 C132 C134	A75-A107 HydrophobicContact CB-CB 3.83Å; A107-I112 HydrophobicContact CB-CD1 3.57Å; A107-I112 HydrophobicContact CB-CG1 4.34Å; A107-R130 PolarHBondContact N-O 2.93Å; A107-L131 HydrophobicContact CB-CD2 3.98Å; A107-C132 PolarHBondContact O-N 2.85Å; A107-C134 PolarHBondContact O-SG 2.89Å
108	T	98.7	Very high	96.2	Very high	44 Å²	44	37.7 Å²	37.7	27%	0.27	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.7	176	-64.2	0	0	0	0	111.8	D106 S110 C132	D106-T108 WeakPolarHBondContact OD1-CB 3.44Å; D106-T108 PolarHBondContact OD1-N 2.86Å; D106-T108 VanDerWaalsContact OD1-N 3.08Å; D106-T108 PolarHBondContact OD1-OG1 2.58Å; T108-S110 PolarHBondContact O-N 2.81Å; T108-C132 CarbonylContact C-O 3.49Å; T108-C132 VanDerWaalsContact CA-O 3.25Å; T108-C132 WeakPolarHBondContact CA-O 3.28Å; T108-C132 HydrophobicContact CG2-CB 4.13Å; T108-C132 WeakPolarHBondContact OG1-CB 3.4Å
109	N	98.1	Very high	96.9	Very high	108 Å²	108	33.9 Å²	33.9	58%	0.578	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	33.5	-173.9	-52.8	-63	0	0	0	113.8	C132 K133	N109-C132 PolarHBondContact N-O 3.43Å; N109-K133 WeakPolarHBondContact OD1-CB 3.31Å; N109-K133 VanDerWaalsContact OD1-CD 3.23Å; N109-K133 WeakPolarHBondContact OD1-CD 3.26Å
110	S	97.9	Very high	97.1	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.028	15%	0.147	C	C	.	.			trans	-89	149.7	-176.1	-179.3	0	0	0	0	113.1	C73 T108 I112	C73-S110 VanDerWaalsContact O-CA 3.3Å; C73-S110 WeakPolarHBondContact O-CA 3.43Å; C73-S110 WeakPolarHBondContact O-CB 3.36Å; C73-S110 PolarHBondContact O-OG 3.08Å; T108-S110 PolarHBondContact O-N 2.81Å; S110-I112 VanDerWaalsContact C-N 3.34Å; S110-I112 WeakPolarHBondContact OG-CG2 3.45Å; S110-I112 PolarHBondContact OG-N 2.74Å
111	C	96.9	Very high	97.2	Very high	28 Å²	28	28.5 Å²	28.5	19%	0.189	16%	0.157	C	C	.	.			trans	-92.2	19.9	172.7	68.7	0	0	0	0	114.3	N50 C73 Y136	N50-C111 PolarHBondContact ND2-O 2.92Å; C73-C111 VanDerWaalsContact CA-SG 3.54Å; C73-C111 PolarHBondContact O-N 2.65Å; C111-Y136 HydrophobicContact CB-CD2 4.11Å; C111-Y136 HydrophobicContact CB-CE2 4.03Å
112	I	97.8	Very high	97.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	16%	0.162	C	C	.	.			trans	-61.7	142.2	172.8	57	172.1	0	0	0	111.8	N50 W69 L70 C73 A107 S110 F117 L131 I137	N50-I112 VanDerWaalsContact OD1-CA 3.32Å; N50-I112 WeakPolarHBondContact OD1-CA 3.19Å; W69-I112 HydrophobicContact CH2-CG2 4.21Å; W69-I112 HydrophobicContact CZ2-CB 3.87Å; W69-I112 HydrophobicContact CZ2-CG2 3.52Å; L70-I112 HydrophobicContact CD2-CG2 4.28Å; C73-I112 HydrophobicContact CB-CG2 3.59Å; A107-I112 HydrophobicContact CB-CD1 3.57Å; A107-I112 HydrophobicContact CB-CG1 4.34Å; S110-I112 VanDerWaalsContact C-N 3.34Å; S110-I112 WeakPolarHBondContact OG-CG2 3.45Å; S110-I112 PolarHBondContact OG-N 2.74Å; I112-F117 HydrophobicContact CD1-CZ 4.04Å; I112-L131 HydrophobicContact CD1-CD2 3.99Å; I112-I137 HydrophobicContact CD1-CD1 3.84Å; I112-I137 HydrophobicContact CG1-CD1 3.92Å; I112-I137 HydrophobicContact CG1-CG1 4.24Å
113	M	94.1	Very high	97.1	Very high	48 Å²	48	27.7 Å²	27.7	24%	0.236	16%	0.162	C	C	.	.			trans	-146.8	171.5	-179.8	70.4	-171.8	-71.1	0	0	111.3	N46 N50 I115 G116 F117	N46-M113 HydrophobicContact CB-SD 4.24Å; N50-M113 HydrophobicContact CB-CG 3.77Å; N50-M113 HydrophobicContact CB-SD 4.34Å; N50-M113 PolarHBondContact OD1-N 3.2Å; N50-M113 VanDerWaalsContact OD1-N 3.08Å; M113-I115 HydrophobicContact CG-CG1 4.16Å; M113-I115 PolarHBondContact O-N 3.35Å; M113-I115 VanDerWaalsContact O-N 3.11Å; M113-G116 PolarHBondContact O-N 2.62Å; M113-F117 WeakPolarHBondContact O-CD2 3.42Å
114	S	90.6	Very high	97.1	Very high	47 Å²	47	31.2 Å²	31.2	33%	0.329	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-40.7	-53.5	-170.1	-178.3	0	0	0	0	115	G116 F117 C141	S114-G116 PolarHBondContact O-N 2.86Å; S114-G116 VanDerWaalsContact O-N 3.07Å; S114-F117 PolarHBondContact O-N 3.19Å; S114-F117 VanDerWaalsContact O-N 3.11Å; S114-C141 WeakPolarHBondContact CA-SG 3.14Å; S114-C141 PolarHBondContact N-SG 3.23Å
115	I	92.4	Very high	97	Very high	77 Å²	77	35.1 Å²	35.1	40%	0.395	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-63.1	-20.5	-176	66.4	174.6	0	0	0	114.3	A47 N50 M113	A47-I115 HydrophobicContact CB-CD1 4.14Å; A47-I115 WeakPolarHBondContact O-CD1 3.27Å; N50-I115 HydrophobicContact CB-CD1 4.05Å; N50-I115 HydrophobicContact CB-CG1 3.65Å; M113-I115 HydrophobicContact CG-CG1 4.16Å; M113-I115 PolarHBondContact O-N 3.35Å; M113-I115 VanDerWaalsContact O-N 3.11Å
116	G	95.8	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-81.2	-21.9	179.5	0	0	0	0	0	113.8	N50 W69 M113 S114 D118 H119	N50-G116 WeakPolarHBondContact O-CA 3.29Å; W69-G116 VanDerWaalsContact CH2-C 3.46Å; W69-G116 VanDerWaalsContact CH2-O 3.29Å; W69-G116 WeakPolarHBondContact CH2-O 3.34Å; W69-G116 WeakPolarHBondContact CZ2-O 3.21Å; W69-G116 WeakPolarHBondContact CZ3-O 3.21Å; M113-G116 PolarHBondContact O-N 2.62Å; S114-G116 PolarHBondContact O-N 2.86Å; S114-G116 VanDerWaalsContact O-N 3.07Å; G116-D118 PolarHBondContact O-N 3.19Å; G116-H119 WeakPolarHBondContact O-CB 3.35Å; G116-H119 PolarHBondContact O-N 2.84Å; G116-H119 PolarHBondContact O-ND1 3.48Å
117	F	96.3	Very high	97	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.018	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-64.5	-13.1	-178.9	-78.8	-91.6	0	0	0	113.4	W69 I112 M113 S114 H119 M120 I137 C141 R144 L145	W69-F117 HydrophobicContact CH2-CD1 4.48Å; W69-F117 HydrophobicContact CH2-CD2 4.46Å; W69-F117 HydrophobicContact CH2-CG 4.35Å; I112-F117 HydrophobicContact CD1-CZ 4.04Å; M113-F117 WeakPolarHBondContact O-CD2 3.42Å; S114-F117 PolarHBondContact O-N 3.19Å; S114-F117 VanDerWaalsContact O-N 3.11Å; F117-H119 PolarHBondContact O-N 3.17Å; F117-M120 HydrophobicContact CD1-CG 4.29Å; F117-M120 WeakPolarHBondContact O-CB 3.48Å; F117-M120 VanDerWaalsContact O-CG 3.28Å; F117-M120 WeakPolarHBondContact O-CG 3.42Å; F117-M120 PolarHBondContact O-N 3.34Å; F117-I137 HydrophobicContact CZ-CD1 4.17Å; F117-C141 HydrophobicContact CD2-CB 4.05Å; F117-C141 HydrophobicContact CE2-CB 3.73Å; F117-C141 HydrophobicContact CZ-CB 4.15Å; F117-R144 HydrophobicContact CB-CG 4.17Å; F117-L145 HydrophobicContact CD1-CD1 4.19Å; F117-L145 HydrophobicContact CD1-CD2 3.54Å; F117-L145 HydrophobicContact CD1-CG 3.71Å; F117-L145 HydrophobicContact CE1-CD1 3.74Å; F117-L145 HydrophobicContact CE1-CD2 3.81Å; F117-L145 HydrophobicContact CE1-CG 3.81Å
118	D	96.8	Very high	97	Very high	39 Å²	39	38.8 Å²	38.8	21%	0.209	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-66.8	-18.6	172.2	-79.3	2.1	0	0	0	113.4	V52 G116 M120 V121 R144	V52-D118 HydrophobicContact CG2-CB 3.51Å; G116-D118 PolarHBondContact O-N 3.19Å; D118-M120 PolarHBondContact O-N 3Å; D118-V121 VanDerWaalsContact O-CG2 3.3Å; D118-V121 WeakPolarHBondContact O-CG2 3.33Å; D118-V121 PolarHBondContact O-N 2.87Å; D118-R144 IonicContact OD1-CZ 3.61Å; D118-R144 IonicContact OD1-NE 3.62Å; D118-R144 PolarHBondContact OD1-NE 2.83Å; D118-R144 IonicContact OD1-NH2 2.75Å; D118-R144 PolarHBondContact OD1-NH2 3.24Å; D118-R144 IonicContact OD2-NH2 2.78Å
119	H	98.3	Very high	97	Very high	4 Å²	4	37 Å²	37	2%	0.019	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.7	-20	166.8	-66	91.1	0	0	0	112.5	A66 W69 R72 G116 F117 V121	A66-H119 HydrophobicContact CB-CB 4.09Å; W69-H119 AromaticContact CD1-CE1 3.93Å; W69-H119 HydrophobicContact CD2-CB 4.16Å; W69-H119 AromaticContact CD2-CG 3.91Å; W69-H119 AromaticContact CD2-ND1 3.49Å; W69-H119 HydrophobicContact CE3-CB 3.56Å; W69-H119 AromaticContact CE3-CG 3.83Å; W69-H119 AromaticContact CE3-ND1 3.82Å; W69-H119 AromaticContact CG-CE1 3.62Å; W69-H119 AromaticContact CG-CG 3.99Å; W69-H119 AromaticContact CG-ND1 3.52Å; W69-H119 HydrophobicContact CZ3-CB 4.05Å; R72-H119 PolarHBondContact NH2-CE1 3.19Å; R72-H119 PolarHBondContact NH2-NE2 3.38Å; G116-H119 WeakPolarHBondContact O-CB 3.35Å; G116-H119 PolarHBondContact O-N 2.84Å; G116-H119 PolarHBondContact O-ND1 3.48Å; F117-H119 PolarHBondContact O-N 3.17Å; H119-V121 VanDerWaalsContact C-N 3.34Å
120	M	98.1	Very high	97.1	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.02	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-82	-11.6	-176.7	-53.6	-75.6	-78.6	0	0	113.1	W69 I105 F117 D118 G122 L123 I129 L145 L148 N150 L151	W69-M120 HydrophobicContact CZ3-CG 4.04Å; W69-M120 HydrophobicContact CZ3-SD 3.95Å; I105-M120 HydrophobicContact CD1-CE 3.55Å; I105-M120 HydrophobicContact CD1-SD 3.94Å; F117-M120 HydrophobicContact CD1-CG 4.29Å; F117-M120 WeakPolarHBondContact O-CB 3.48Å; F117-M120 VanDerWaalsContact O-CG 3.28Å; F117-M120 WeakPolarHBondContact O-CG 3.42Å; F117-M120 PolarHBondContact O-N 3.34Å; D118-M120 PolarHBondContact O-N 3Å; M120-G122 VanDerWaalsContact C-N 3.26Å; M120-G122 PolarHBondContact O-N 3.09Å; M120-L123 HydrophobicContact CB-CD1 4.4Å; M120-L123 HydrophobicContact CE-CD1 4.25Å; M120-L123 PolarHBondContact O-N 3.07Å; M120-L123 HydrophobicContact SD-CD1 3.51Å; M120-L123 VanDerWaalsContact SD-CD1 3.51Å; M120-I129 HydrophobicContact CE-CD1 3.85Å; M120-L145 HydrophobicContact CE-CD2 4.26Å; M120-L148 HydrophobicContact CB-CD1 3.79Å; M120-N150 PolarHBondContact O-ND2 3.36Å; M120-L151 HydrophobicContact CB-CD1 4.17Å; M120-L151 HydrophobicContact CE-CD1 4.11Å
121	V	97.6	Very high	97.1	Very high	70 Å²	70	35 Å²	35	42%	0.424	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-37	-175	172.4	0	0	0	0	112.3	D118 H119 L148 N150	D118-V121 VanDerWaalsContact O-CG2 3.3Å; D118-V121 WeakPolarHBondContact O-CG2 3.33Å; D118-V121 PolarHBondContact O-N 2.87Å; H119-V121 VanDerWaalsContact C-N 3.34Å; V121-L148 HydrophobicContact CB-CD2 4.48Å; V121-L148 HydrophobicContact CG2-CD2 3.75Å; V121-N150 PolarHBondContact O-ND2 3.11Å; V121-N150 PolarHBondContact O-OD1 3.07Å
122	G	97.3	Very high	97.2	Very high	28 Å²	28	34.1 Å²	34.1	29%	0.289	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.1	-177.4	0	0	0	0	0	115.4	M120 Q124	M120-G122 VanDerWaalsContact C-N 3.26Å; M120-G122 PolarHBondContact O-N 3.09Å; G122-Q124 PolarHBondContact O-N 2.92Å; G122-Q124 PolarHBondContact O-NE2 3.11Å
123	L	98.3	Very high	97.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.			trans	-83.6	115.8	-169.6	-54.7	-175.8	0	0	0	112.1	P62 D63 A66 I102 M120 V126 N150	P62-L123 HydrophobicContact CB-CD2 4.16Å; D63-L123 VanDerWaalsContact CA-CD2 3.5Å; D63-L123 HydrophobicContact CB-CD2 4.22Å; A66-L123 HydrophobicContact CB-CD1 3.92Å; A66-L123 HydrophobicContact CB-CD2 3.94Å; A66-L123 HydrophobicContact CB-CG 4.37Å; I102-L123 HydrophobicContact CD1-CD1 4.09Å; I102-L123 HydrophobicContact CD1-CD2 4.26Å; M120-L123 HydrophobicContact CB-CD1 4.4Å; M120-L123 HydrophobicContact CE-CD1 4.25Å; M120-L123 PolarHBondContact O-N 3.07Å; M120-L123 HydrophobicContact SD-CD1 3.51Å; M120-L123 VanDerWaalsContact SD-CD1 3.51Å; L123-V126 HydrophobicContact CB-CG2 3.76Å; L123-V126 HydrophobicContact CD1-CG2 3.76Å; L123-V126 HydrophobicContact CG-CG2 4.41Å; L123-N150 WeakPolarHBondContact O-CB 3.27Å; L123-N150 PolarHBondContact O-ND2 3.25Å
124	Q	98	Very high	97.4	Very high	106 Å²	106	36.2 Å²	36.2	50%	0.495	19%	0.185	S	C	.	.	S	Bend	trans	-95.2	-12.4	-173.3	-57.5	-54.1	-48.5	0	0	114.6	G122	G122-Q124 PolarHBondContact O-N 2.92Å; G122-Q124 PolarHBondContact O-NE2 3.11Å
125	H	98.1	Very high	97.7	Very high	82 Å²	82	39.7 Å²	39.7	38%	0.38	20%	0.196	S	C	.	.			trans	-128.1	12.7	-162.6	-57.7	-68.6	0	0	0	114.6	H80 K101 I102 E127	H80-H125 PolarHBondContact NE2-O 2.97Å; K101-H125 HydrophobicContact CB-CB 4.22Å; I102-H125 CarbonylContact O-C 3.54Å; I102-H125 VanDerWaalsContact O-O 3.09Å; H125-E127 PolarHBondContact O-N 3.11Å
126	V	98.8	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.			trans	-74.3	114.8	-179.7	-178.4	0	0	0	0	109.4	I102 I105 L123 I129 L151 S154 I155	I102-V126 HydrophobicContact CB-CG2 4.26Å; I102-V126 HydrophobicContact CG2-CG2 4.07Å; I102-V126 PolarHBondContact O-N 3.44Å; I105-V126 HydrophobicContact CD1-CG1 4.01Å; I105-V126 HydrophobicContact CD1-CG2 4.43Å; I105-V126 HydrophobicContact CG1-CG1 4.49Å; L123-V126 HydrophobicContact CB-CG2 3.76Å; L123-V126 HydrophobicContact CD1-CG2 3.76Å; L123-V126 HydrophobicContact CG-CG2 4.41Å; V126-I129 HydrophobicContact CG1-CD1 4.01Å; V126-I129 HydrophobicContact CG1-CG1 3.75Å; V126-L151 HydrophobicContact CB-CD2 4.08Å; V126-L151 HydrophobicContact CG2-CD2 4.37Å; V126-S154 CarbonylContact O-C 3.17Å; V126-S154 WeakPolarHBondContact O-CB 3.13Å; V126-S154 PolarHBondContact O-OG 2.82Å; V126-I155 WeakPolarHBondContact O-CA 3.31Å; V126-I155 PolarHBondContact O-N 2.91Å
127	E	98.8	Very high	97.9	Very high	49 Å²	49	41.3 Å²	41.3	23%	0.229	20%	0.198	C	C	.	.			trans	-103.9	-30.9	-178.1	-69.5	172.4	-177.9	0	0	112.4	H80 Q103 H125 S154 L156 E157	H80-E127 IonicContact CE1-OE1 2.81Å; H80-E127 PolarHBondContact CE1-OE1 3.15Å; H80-E127 IonicContact CE1-OE2 3.2Å; H80-E127 IonicContact NE2-OE1 3.62Å; Q103-E127 HydrophobicContact CG-CB 4.29Å; Q103-E127 HydrophobicContact CG-CG 4.39Å; Q103-E127 WeakPolarHBondContact CG-OE2 3.45Å; Q103-E127 PolarHBondContact NE2-OE2 3.36Å; Q103-E127 PolarHBondContact O-N 3.15Å; H125-E127 PolarHBondContact O-N 3.11Å; E127-S154 WeakPolarHBondContact CA-O 3.1Å; E127-L156 HydrophobicContact CB-CD1 4.23Å; E127-L156 HydrophobicContact CB-CG 4.33Å; E127-L156 HydrophobicContact CG-CD1 4.07Å; E127-L156 HydrophobicContact CG-CG 4.38Å; E127-L156 PolarHBondContact O-N 3.26Å; E127-E157 PolarHBondContact O-N 2.61Å
128	K	98.9	Very high	97.9	Very high	70 Å²	70	46.2 Å²	46.2	30%	0.304	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.5	-173.5	-50.5	-169	176.4	-146.2	0	111.9	Q103 A104 I105 E157	Q103-K128 PolarHBondContact O-N 2.92Å; Q103-K128 VanDerWaalsContact O-N 3.12Å; A104-K128 CarbonylContact C-O 3.55Å; A104-K128 WeakPolarHBondContact CA-O 3.42Å; A104-K128 HydrophobicContact CB-CB 3.86Å; A104-K128 HydrophobicContact CB-CG 4.47Å; I105-K128 PolarHBondContact N-O 2.76Å; K128-E157 WeakPolarHBondContact CA-O 3.34Å; K128-E157 HydrophobicContact CB-CB 4.49Å; K128-E157 VanDerWaalsContact CD-OE2 3.32Å; K128-E157 WeakPolarHBondContact CD-OE2 3.25Å; K128-E157 VanDerWaalsContact CE-CD 3.44Å; K128-E157 WeakPolarHBondContact CE-OE1 3.43Å; K128-E157 WeakPolarHBondContact CE-OE2 3.49Å; K128-E157 HydrophobicContact CG-CB 4.15Å; K128-E157 HydrophobicContact CG-CG 4.46Å; K128-E157 IonicContact NZ-OE1 3.94Å; K128-E157 PolarHBondContact NZ-OE1 2.75Å; K128-E157 IonicContact NZ-OE2 3.53Å; K128-E157 PolarHBondContact NZ-OE2 3.49Å
129	I	98.9	Very high	98	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.6	174	-58.7	-175.8	0	0	0	109.9	I105 M120 V126 L131 L145 I155 E157 M158 E159	I105-I129 HydrophobicContact CD1-CG1 4.47Å; M120-I129 HydrophobicContact CE-CD1 3.85Å; V126-I129 HydrophobicContact CG1-CD1 4.01Å; V126-I129 HydrophobicContact CG1-CG1 3.75Å; I129-L131 HydrophobicContact CG2-CD2 3.86Å; I129-L131 HydrophobicContact CG2-CG 4.01Å; I129-L145 HydrophobicContact CD1-CD2 4.46Å; I129-I155 HydrophobicContact CD1-CD1 3.6Å; I129-I155 HydrophobicContact CD1-CG1 4.4Å; I129-I155 HydrophobicContact CG1-CD1 4.35Å; I129-E157 PolarHBondContact N-O 2.78Å; I129-M158 HydrophobicContact CB-CG 4.45Å; I129-M158 HydrophobicContact CG2-CE 4.34Å; I129-M158 CarbonylContact O-C 3.56Å; I129-M158 VanDerWaalsContact O-CA 3.26Å; I129-M158 WeakPolarHBondContact O-CA 3.23Å; I129-E159 PolarHBondContact O-N 2.96Å
130	R	98.9	Very high	97.9	Very high	69 Å²	69	49 Å²	49	26%	0.26	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.5	169.9	177.4	178.4	-178.2	91.1	0.3	110	I105 A107 C132 E159 I161	I105-R130 PolarHBondContact O-N 2.99Å; A107-R130 PolarHBondContact N-O 2.93Å; R130-C132 HydrophobicContact CG-CB 4.41Å; R130-E159 HydrophobicContact CB-CB 4.37Å; R130-E159 WeakPolarHBondContact CD-OE2 3.24Å; R130-E159 HydrophobicContact CG-CB 4.19Å; R130-E159 WeakPolarHBondContact CG-OE2 3.47Å; R130-E159 IonicContact CZ-OE2 3.99Å; R130-E159 IonicContact NE-OE2 2.71Å; R130-E159 VanDerWaalsContact NH1-CD 3.25Å; R130-E159 IonicContact NH1-OE1 3.28Å; R130-E159 PolarHBondContact NH1-OE1 3.36Å; R130-E159 IonicContact NH1-OE2 3.45Å; R130-E159 PolarHBondContact NH1-OE2 3.4Å; R130-I161 VanDerWaalsContact CZ-CD1 3.44Å; R130-I161 VanDerWaalsContact NH1-CD1 3.25Å; R130-I161 VanDerWaalsContact NH2-CD1 3.3Å
131	L	98.8	Very high	97.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.6	173.1	-55.4	-179.8	0	0	0	107.5	A107 I112 I129 I137 L142 M158 E159 I160 I161	A107-L131 HydrophobicContact CB-CD2 3.98Å; I112-L131 HydrophobicContact CD1-CD2 3.99Å; I129-L131 HydrophobicContact CG2-CD2 3.86Å; I129-L131 HydrophobicContact CG2-CG 4.01Å; L131-I137 HydrophobicContact CB-CD1 4.32Å; L131-I137 HydrophobicContact CD1-CD1 3.8Å; L131-I137 HydrophobicContact CD2-CD1 3.76Å; L131-I137 HydrophobicContact CG-CD1 4.17Å; L131-L142 HydrophobicContact CD1-CD2 3.99Å; L131-M158 HydrophobicContact CD1-CE 3.78Å; L131-M158 HydrophobicContact CG-CE 4.42Å; L131-E159 PolarHBondContact N-O 3.45Å; L131-I160 HydrophobicContact CD1-CG1 4.45Å; L131-I160 WeakPolarHBondContact O-CA 3.46Å; L131-I161 PolarHBondContact O-N 3.03Å
132	C	98.8	Very high	97.8	Very high	10 Å²	10	45.4 Å²	45.4	7%	0.068	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.6	-177.2	-173.9	0	0	0	0	110.4	A107 T108 N109 R130 C134 I161	A107-C132 PolarHBondContact O-N 2.85Å; T108-C132 CarbonylContact C-O 3.49Å; T108-C132 VanDerWaalsContact CA-O 3.25Å; T108-C132 WeakPolarHBondContact CA-O 3.28Å; T108-C132 HydrophobicContact CG2-CB 4.13Å; T108-C132 WeakPolarHBondContact OG1-CB 3.4Å; N109-C132 PolarHBondContact N-O 3.43Å; R130-C132 HydrophobicContact CG-CB 4.41Å; C132-C134 PolarHBondContact O-N 3.48Å; C132-I161 CarbonylContact C-O 3.53Å; C132-I161 VanDerWaalsContact CA-O 3.27Å; C132-I161 WeakPolarHBondContact CA-O 3.29Å; C132-I161 HydrophobicContact CB-CB 4.25Å
133	K	98.4	Very high	97.9	Very high	94 Å²	94	47.1 Å²	47.1	41%	0.409	22%	0.217	S	C	.	.	S	Bend	trans	55.1	34.8	-178.4	-56.8	172.7	-179.9	178.9	0	112.8	N109 H135 I161	N109-K133 WeakPolarHBondContact OD1-CB 3.31Å; N109-K133 VanDerWaalsContact OD1-CD 3.23Å; N109-K133 WeakPolarHBondContact OD1-CD 3.26Å; K133-H135 PolarHBondContact O-N 2.67Å; K133-I161 PolarHBondContact N-O 3.22Å
134	C	97.9	Very high	97.8	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.231	C	C	.	.			trans	-83.3	96.1	172.3	-42.6	0	0	0	0	109.2	A107 C132 Y136 I137	A107-C134 PolarHBondContact O-SG 2.89Å; C132-C134 PolarHBondContact O-N 3.48Å; C134-Y136 VanDerWaalsContact C-N 3.26Å; C134-Y136 PolarHBondContact O-N 2.78Å; C134-I137 HydrophobicContact CB-CB 4.2Å; C134-I137 HydrophobicContact CB-CD1 3.35Å; C134-I137 HydrophobicContact CB-CG1 3.55Å; C134-I137 PolarHBondContact O-N 3.37Å
135	H	95.9	Very high	97.7	Very high	121 Å²	121	46 Å²	46	56%	0.56	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.8	-172.7	-61.9	-58.1	0	0	0	115	K133 N165	K133-H135 PolarHBondContact O-N 2.67Å; H135-N165 PolarHBondContact O-ND2 2.87Å
136	Y	95.8	Very high	97.6	Very high	110 Å²	110	42 Å²	42	43%	0.431	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	1.9	-178.1	-55.9	-79.9	0	0	0	113.6	N46 C111 C134	N46-Y136 WeakPolarHBondContact ND2-CE1 3.47Å; N46-Y136 PolarHBondContact ND2-OH 2.78Å; C111-Y136 HydrophobicContact CB-CD2 4.11Å; C111-Y136 HydrophobicContact CB-CE2 4.03Å; C134-Y136 VanDerWaalsContact C-N 3.26Å; C134-Y136 PolarHBondContact O-N 2.78Å
137	I	96.6	Very high	97.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	21%	0.214	C	C	.	.			trans	-83.9	131.4	174.9	-62	-174.8	0	0	0	108.7	I112 F117 L131 C134 C141 N165 I166	I112-I137 HydrophobicContact CD1-CD1 3.84Å; I112-I137 HydrophobicContact CG1-CD1 3.92Å; I112-I137 HydrophobicContact CG1-CG1 4.24Å; F117-I137 HydrophobicContact CZ-CD1 4.17Å; L131-I137 HydrophobicContact CB-CD1 4.32Å; L131-I137 HydrophobicContact CD1-CD1 3.8Å; L131-I137 HydrophobicContact CD2-CD1 3.76Å; L131-I137 HydrophobicContact CG-CD1 4.17Å; C134-I137 HydrophobicContact CB-CB 4.2Å; C134-I137 HydrophobicContact CB-CD1 3.35Å; C134-I137 HydrophobicContact CB-CG1 3.55Å; C134-I137 PolarHBondContact O-N 3.37Å; I137-C141 HydrophobicContact CG2-CB 3.66Å; I137-N165 WeakPolarHBondContact O-CB 3.4Å; I137-I166 HydrophobicContact CG2-CD1 3.79Å; I137-I166 HydrophobicContact CG2-CG1 4.44Å
138	E	97.3	Very high	97.5	Very high	107 Å²	107	45.6 Å²	45.6	50%	0.5	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-125.9	172.5	177.9	-63	175.6	-165.8	0	0	109.7	D140 C141 N165 I166	E138-D140 PolarHBondContact O-N 2.93Å; E138-D140 VanDerWaalsContact O-N 3.11Å; E138-C141 WeakPolarHBondContact O-CB 3.28Å; E138-C141 PolarHBondContact O-N 3.35Å; E138-N165 HydrophobicContact CG-CB 3.96Å; E138-I166 VanDerWaalsContact C-CD1 3.44Å
139	D	98.4	Very high	97.4	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.102	22%	0.219	C	C	.	.	H	α-helix	trans	-53	-35.6	-178.2	-68.3	-26.8	0	0	0	113.5	C141 L142 L143 T167 K169 G170	D139-C141 PolarHBondContact O-N 2.83Å; D139-L142 PolarHBondContact O-N 2.85Å; D139-L143 PolarHBondContact O-N 3.36Å; D139-T167 PolarHBondContact OD1-N 3.21Å; D139-T167 PolarHBondContact OD1-OG1 3.39Å; D139-T167 PolarHBondContact OD2-OG1 2.87Å; D139-K169 HydrophobicContact CB-CD 4.28Å; D139-G170 VanDerWaalsContact CG-N 3.31Å; D139-G170 VanDerWaalsContact OD1-CA 3.26Å; D139-G170 WeakPolarHBondContact OD1-CA 3.42Å; D139-G170 PolarHBondContact OD1-N 3.11Å; D139-G170 VanDerWaalsContact OD1-N 3.11Å
140	D	96.5	Very high	97.4	Very high	81 Å²	81	48.6 Å²	48.6	43%	0.433	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-27.8	179.5	-73.5	-0.3	0	0	0	112.3	E138 R144 K169	E138-D140 PolarHBondContact O-N 2.93Å; E138-D140 VanDerWaalsContact O-N 3.11Å; D140-R144 WeakPolarHBondContact O-CB 3.44Å; D140-R144 PolarHBondContact O-N 2.84Å; D140-K169 IonicContact OD1-NZ 3.61Å
141	C	96.4	Very high	97.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-45.2	173.4	-55.5	0	0	0	0	110.9	S114 F117 I137 E138 D139 R144 L145	S114-C141 WeakPolarHBondContact CA-SG 3.14Å; S114-C141 PolarHBondContact N-SG 3.23Å; F117-C141 HydrophobicContact CD2-CB 4.05Å; F117-C141 HydrophobicContact CE2-CB 3.73Å; F117-C141 HydrophobicContact CZ-CB 4.15Å; I137-C141 HydrophobicContact CG2-CB 3.66Å; E138-C141 WeakPolarHBondContact O-CB 3.28Å; E138-C141 PolarHBondContact O-N 3.35Å; D139-C141 PolarHBondContact O-N 2.83Å; C141-R144 PolarHBondContact O-N 2.93Å; C141-L145 WeakPolarHBondContact O-CG 3.43Å; C141-L145 PolarHBondContact O-N 3.49Å
142	L	98	Very high	97.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.3	-35.5	179.2	-57.5	-173.3	0	0	0	111.4	L131 D139 L145 G146 M158 I160 I166 G170 I171 L174	L131-L142 HydrophobicContact CD1-CD2 3.99Å; D139-L142 PolarHBondContact O-N 2.85Å; L142-L145 HydrophobicContact CD2-CD1 4.11Å; L142-L145 PolarHBondContact O-N 3.46Å; L142-G146 PolarHBondContact O-N 3.2Å; L142-M158 HydrophobicContact CD2-CE 3.92Å; L142-I160 HydrophobicContact CD1-CD1 3.83Å; L142-I160 HydrophobicContact CD2-CD1 4Å; L142-I166 HydrophobicContact CD1-CD1 3.61Å; L142-I166 HydrophobicContact CD1-CG1 4.21Å; L142-I166 HydrophobicContact CD1-CG2 3.79Å; L142-I166 HydrophobicContact CG-CD1 3.85Å; L142-G170 VanDerWaalsContact CB-O 3.28Å; L142-G170 WeakPolarHBondContact CB-O 3.14Å; L142-I171 HydrophobicContact CD1-CD1 3.96Å; L142-L174 HydrophobicContact CB-CD2 4.13Å; L142-L174 HydrophobicContact CD2-CD2 4.37Å
143	L	97.6	Very high	97.1	Very high	64 Å²	64	51.2 Å²	51.2	34%	0.335	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-46.8	171	-178.8	63.3	0	0	0	111.2	D139 G146 Q147 A173	D139-L143 PolarHBondContact O-N 3.36Å; L143-G146 PolarHBondContact O-N 2.94Å; L143-Q147 WeakPolarHBondContact O-CG 3.34Å; L143-Q147 PolarHBondContact O-N 3.02Å; L143-Q147 VanDerWaalsContact O-N 3.11Å; L143-A173 HydrophobicContact CB-CB 4.33Å; L143-A173 HydrophobicContact CD1-CB 4.06Å
144	R	96.9	Very high	97.1	Very high	81 Å²	81	47.4 Å²	47.4	31%	0.306	22%	0.22	S	C	.	.	H	α-helix	trans	-59.1	-48.6	176.5	-176.3	59	169.6	-176.6	0.8	110.9	F117 D118 D140 C141 G146 Q147 L148	F117-R144 HydrophobicContact CB-CG 4.17Å; D118-R144 IonicContact OD1-CZ 3.61Å; D118-R144 IonicContact OD1-NE 3.62Å; D118-R144 PolarHBondContact OD1-NE 2.83Å; D118-R144 IonicContact OD1-NH2 2.75Å; D118-R144 PolarHBondContact OD1-NH2 3.24Å; D118-R144 IonicContact OD2-NH2 2.78Å; D140-R144 WeakPolarHBondContact O-CB 3.44Å; D140-R144 PolarHBondContact O-N 2.84Å; C141-R144 PolarHBondContact O-N 2.93Å; R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 2.84Å; R144-Q147 PolarHBondContact O-N 3.26Å; R144-Q147 VanDerWaalsContact O-N 3.09Å; R144-L148 WeakPolarHBondContact O-CG 3.22Å; R144-L148 PolarHBondContact O-N 3.04Å
145	L	96.3	Very high	97.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-45.2	175	-74.2	174.5	0	0	0	112.2	F117 M120 I129 C141 L142 Q147 L148 L151 M158	F117-L145 HydrophobicContact CD1-CD1 4.19Å; F117-L145 HydrophobicContact CD1-CD2 3.54Å; F117-L145 HydrophobicContact CD1-CG 3.71Å; F117-L145 HydrophobicContact CE1-CD1 3.74Å; F117-L145 HydrophobicContact CE1-CD2 3.81Å; F117-L145 HydrophobicContact CE1-CG 3.81Å; M120-L145 HydrophobicContact CE-CD2 4.26Å; I129-L145 HydrophobicContact CD1-CD2 4.46Å; C141-L145 WeakPolarHBondContact O-CG 3.43Å; C141-L145 PolarHBondContact O-N 3.49Å; L142-L145 HydrophobicContact CD2-CD1 4.11Å; L142-L145 PolarHBondContact O-N 3.46Å; L145-Q147 PolarHBondContact O-N 3.28Å; L145-L148 PolarHBondContact O-N 3.5Å; L145-L151 HydrophobicContact CD2-CD1 3.41Å; L145-L151 VanDerWaalsContact CD2-CD1 3.41Å; L145-M158 HydrophobicContact CD1-CE 3.84Å
146	G	96.5	Very high	97.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-21.8	178.6	0	0	0	0	0	114.2	L142 L143 R144 Q152 H176	L142-G146 PolarHBondContact O-N 3.2Å; L143-G146 PolarHBondContact O-N 2.94Å; R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 2.84Å; G146-Q152 PolarHBondContact O-NE2 3.28Å; G146-H176 WeakPolarHBondContact O-CB 3.48Å
147	Q	97	Very high	97.4	Very high	109 Å²	109	42 Å²	42	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-87.5	-16	178	-71.4	172.8	-9.7	0	0	113.8	L143 R144 L145 E149	L143-Q147 WeakPolarHBondContact O-CG 3.34Å; L143-Q147 PolarHBondContact O-N 3.02Å; L143-Q147 VanDerWaalsContact O-N 3.11Å; R144-Q147 PolarHBondContact O-N 3.26Å; R144-Q147 VanDerWaalsContact O-N 3.09Å; L145-Q147 PolarHBondContact O-N 3.28Å; Q147-E149 PolarHBondContact O-N 3.3Å
148	L	97.7	Very high	97.5	Very high	14 Å²	14	42 Å²	42	7%	0.073	20%	0.2	C	C	.	.			trans	-79.5	103.8	-176.5	-68.5	-179.6	0	0	0	110.9	M120 V121 R144 L145 N150 L151 Q152	M120-L148 HydrophobicContact CB-CD1 3.79Å; V121-L148 HydrophobicContact CB-CD2 4.48Å; V121-L148 HydrophobicContact CG2-CD2 3.75Å; R144-L148 WeakPolarHBondContact O-CG 3.22Å; R144-L148 PolarHBondContact O-N 3.04Å; L145-L148 PolarHBondContact O-N 3.5Å; L148-N150 WeakPolarHBondContact CB-OD1 3.34Å; L148-N150 PolarHBondContact O-N 3.3Å; L148-N150 VanDerWaalsContact O-N 3.16Å; L148-L151 HydrophobicContact CB-CB 4.13Å; L148-L151 HydrophobicContact CB-CD1 4.08Å; L148-L151 HydrophobicContact CB-CG 3.95Å; L148-L151 HydrophobicContact CD1-CD1 3.69Å; L148-L151 HydrophobicContact CD1-CG 4.24Å; L148-L151 PolarHBondContact O-N 3.34Å; L148-Q152 WeakPolarHBondContact O-CG 3.46Å; L148-Q152 PolarHBondContact O-N 3.29Å
149	E	97.4	Very high	97.6	Very high	124 Å²	124	39.1 Å²	39.1	58%	0.579	19%	0.186	S	C	*	.	H	α-helix	trans	-55.5	-34.4	-177.1	-72.9	-166.9	-162.6	0	0	114.4	Q147 K153	Q147-E149 PolarHBondContact O-N 3.3Å; E149-K153 VanDerWaalsContact O-CD 3.32Å; E149-K153 WeakPolarHBondContact O-CD 3.37Å; E149-K153 VanDerWaalsContact O-CG 3.25Å; E149-K153 WeakPolarHBondContact O-CG 3.44Å; E149-K153 PolarHBondContact O-N 2.96Å; E149-K153 IonicContact OE2-NZ 3.64Å; E149-K153 PolarHBondContact OE2-NZ 2.69Å; E149-K153 VanDerWaalsContact OE2-NZ 3.14Å
150	N	97.8	Very high	97.6	Very high	15 Å²	15	38.2 Å²	38.2	8%	0.08	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-46.5	175.5	54.8	-58.1	0	0	0	110.4	M120 V121 L123 L148 K153 S154	M120-N150 PolarHBondContact O-ND2 3.36Å; V121-N150 PolarHBondContact O-ND2 3.11Å; V121-N150 PolarHBondContact O-OD1 3.07Å; L123-N150 WeakPolarHBondContact O-CB 3.27Å; L123-N150 PolarHBondContact O-ND2 3.25Å; L148-N150 WeakPolarHBondContact CB-OD1 3.34Å; L148-N150 PolarHBondContact O-N 3.3Å; L148-N150 VanDerWaalsContact O-N 3.16Å; N150-K153 PolarHBondContact O-N 2.67Å; N150-S154 PolarHBondContact O-N 3.24Å; N150-S154 VanDerWaalsContact O-N 3.09Å; N150-S154 PolarHBondContact O-OG 2.81Å
151	L	98	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-72.2	-35.5	178.7	-59.9	-170.1	0	0	0	112.8	M120 V126 L145 L148 K153 S154 I155 L177	M120-L151 HydrophobicContact CB-CD1 4.17Å; M120-L151 HydrophobicContact CE-CD1 4.11Å; V126-L151 HydrophobicContact CB-CD2 4.08Å; V126-L151 HydrophobicContact CG2-CD2 4.37Å; L145-L151 HydrophobicContact CD2-CD1 3.41Å; L145-L151 VanDerWaalsContact CD2-CD1 3.41Å; L148-L151 HydrophobicContact CB-CB 4.13Å; L148-L151 HydrophobicContact CB-CD1 4.08Å; L148-L151 HydrophobicContact CB-CG 3.95Å; L148-L151 HydrophobicContact CD1-CD1 3.69Å; L148-L151 HydrophobicContact CD1-CG 4.24Å; L148-L151 PolarHBondContact O-N 3.34Å; L151-K153 PolarHBondContact O-N 2.71Å; L151-K153 VanDerWaalsContact O-N 3.17Å; L151-S154 PolarHBondContact O-N 3.25Å; L151-I155 HydrophobicContact CB-CD1 3.78Å; L151-I155 HydrophobicContact CB-CG1 4.14Å; L151-I155 HydrophobicContact CD1-CD1 4.24Å; L151-I155 HydrophobicContact CD2-CD1 4.45Å; L151-I155 HydrophobicContact CG-CD1 4.39Å; L151-I155 WeakPolarHBondContact O-CG1 3.3Å; L151-I155 PolarHBondContact O-N 3.04Å; L151-L177 HydrophobicContact CB-CD2 4.46Å
152	Q	97.5	Very high	97.8	Very high	35 Å²	35	36.5 Å²	36.5	16%	0.164	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-29.3	172.8	-64.9	177.8	7.9	0	0	112.3	G146 L148 H176 L177 R178	G146-Q152 PolarHBondContact O-NE2 3.28Å; L148-Q152 WeakPolarHBondContact O-CG 3.46Å; L148-Q152 PolarHBondContact O-N 3.29Å; Q152-H176 HydrophobicContact CG-CB 4.47Å; Q152-H176 VanDerWaalsContact CG-O 3.26Å; Q152-H176 WeakPolarHBondContact CG-O 3.3Å; Q152-L177 HydrophobicContact CG-CD2 4.31Å; Q152-R178 VanDerWaalsContact O-CG 3.29Å; Q152-R178 WeakPolarHBondContact O-CG 3.47Å
153	K	95.1	Very high	97.8	Very high	100 Å²	100	36.5 Å²	36.5	44%	0.435	17%	0.174	S	C	.	.	H	α-helix	trans	-88.1	-29.4	179	-67.4	162.9	-165.9	163.3	0	112.6	E149 N150 L151 R178 N179	E149-K153 VanDerWaalsContact O-CD 3.32Å; E149-K153 WeakPolarHBondContact O-CD 3.37Å; E149-K153 VanDerWaalsContact O-CG 3.25Å; E149-K153 WeakPolarHBondContact O-CG 3.44Å; E149-K153 PolarHBondContact O-N 2.96Å; E149-K153 IonicContact OE2-NZ 3.64Å; E149-K153 PolarHBondContact OE2-NZ 2.69Å; E149-K153 VanDerWaalsContact OE2-NZ 3.14Å; N150-K153 PolarHBondContact O-N 2.67Å; L151-K153 PolarHBondContact O-N 2.71Å; L151-K153 VanDerWaalsContact O-N 3.17Å; K153-R178 VanDerWaalsContact CE-NH2 3.27Å; K153-N179 PolarHBondContact O-ND2 2.93Å
154	S	98.1	Very high	97.8	Very high	15 Å²	15	35.1 Å²	35.1	11%	0.105	18%	0.175	C	C	.	.	H	α-helix	trans	-103.8	-31.8	-169.3	70.9	0	0	0	0	114.9	V126 E127 N150 L151 L156	V126-S154 CarbonylContact O-C 3.17Å; V126-S154 WeakPolarHBondContact O-CB 3.13Å; V126-S154 PolarHBondContact O-OG 2.82Å; E127-S154 WeakPolarHBondContact CA-O 3.1Å; N150-S154 PolarHBondContact O-N 3.24Å; N150-S154 VanDerWaalsContact O-N 3.09Å; N150-S154 PolarHBondContact O-OG 2.81Å; L151-S154 PolarHBondContact O-N 3.25Å; S154-L156 PolarHBondContact O-N 3.28Å
155	I	98.5	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.			trans	-70.5	130.9	-173	-64.5	179.5	0	0	0	110.6	V126 I129 L151 L177 N179 L180	V126-I155 WeakPolarHBondContact O-CA 3.31Å; V126-I155 PolarHBondContact O-N 2.91Å; I129-I155 HydrophobicContact CD1-CD1 3.6Å; I129-I155 HydrophobicContact CD1-CG1 4.4Å; I129-I155 HydrophobicContact CG1-CD1 4.35Å; L151-I155 HydrophobicContact CB-CD1 3.78Å; L151-I155 HydrophobicContact CB-CG1 4.14Å; L151-I155 HydrophobicContact CD1-CD1 4.24Å; L151-I155 HydrophobicContact CD2-CD1 4.45Å; L151-I155 HydrophobicContact CG-CD1 4.39Å; L151-I155 WeakPolarHBondContact O-CG1 3.3Å; L151-I155 PolarHBondContact O-N 3.04Å; I155-L177 HydrophobicContact CD1-CD1 4.05Å; I155-L177 HydrophobicContact CD1-CD2 4.15Å; I155-L177 HydrophobicContact CG2-CD1 4.29Å; I155-N179 CarbonylContact O-C 3.56Å; I155-N179 VanDerWaalsContact O-C 3.22Å; I155-L180 HydrophobicContact CG2-CD1 3.62Å; I155-L180 PolarHBondContact O-N 3.08Å
156	L	98.8	Very high	97.9	Very high	45 Å²	45	35 Å²	35	24%	0.236	18%	0.181	C	C	.	.			trans	-116.8	-35.3	178.8	-57.4	179.8	0	0	0	112.1	E127 S154 N179 R181 Y182	E127-L156 HydrophobicContact CB-CD1 4.23Å; E127-L156 HydrophobicContact CB-CG 4.33Å; E127-L156 HydrophobicContact CG-CD1 4.07Å; E127-L156 HydrophobicContact CG-CG 4.38Å; E127-L156 PolarHBondContact O-N 3.26Å; S154-L156 PolarHBondContact O-N 3.28Å; L156-N179 HydrophobicContact CD2-CB 4.29Å; L156-N179 WeakPolarHBondContact CD2-O 3.41Å; L156-R181 PolarHBondContact O-N 2.98Å; L156-Y182 PolarHBondContact O-N 2.95Å; L156-Y182 VanDerWaalsContact O-N 3.13Å
157	E	98.9	Very high	98	Very high	72 Å²	72	37.3 Å²	37.3	34%	0.336	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.5	-176.8	-55.8	177.9	-164.7	0	0	110.8	E127 K128 I129 Y182	E127-E157 PolarHBondContact O-N 2.61Å; K128-E157 WeakPolarHBondContact CA-O 3.34Å; K128-E157 HydrophobicContact CB-CB 4.49Å; K128-E157 VanDerWaalsContact CD-OE2 3.32Å; K128-E157 WeakPolarHBondContact CD-OE2 3.25Å; K128-E157 VanDerWaalsContact CE-CD 3.44Å; K128-E157 WeakPolarHBondContact CE-OE1 3.43Å; K128-E157 WeakPolarHBondContact CE-OE2 3.49Å; K128-E157 HydrophobicContact CG-CB 4.15Å; K128-E157 HydrophobicContact CG-CG 4.46Å; K128-E157 IonicContact NZ-OE1 3.94Å; K128-E157 PolarHBondContact NZ-OE1 2.75Å; K128-E157 IonicContact NZ-OE2 3.53Å; K128-E157 PolarHBondContact NZ-OE2 3.49Å; I129-E157 PolarHBondContact N-O 2.78Å; E157-Y182 WeakPolarHBondContact CA-O 3.38Å; E157-Y182 HydrophobicContact CB-CD1 4.47Å
158	M	98.8	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.9	175.5	-168.3	170.5	-168.6	0	0	111.5	I129 L131 L142 L145 I160 L174 L177 L180 Y182 L183 L184	I129-M158 HydrophobicContact CB-CG 4.45Å; I129-M158 HydrophobicContact CG2-CE 4.34Å; I129-M158 CarbonylContact O-C 3.56Å; I129-M158 VanDerWaalsContact O-CA 3.26Å; I129-M158 WeakPolarHBondContact O-CA 3.23Å; L131-M158 HydrophobicContact CD1-CE 3.78Å; L131-M158 HydrophobicContact CG-CE 4.42Å; L142-M158 HydrophobicContact CD2-CE 3.92Å; L145-M158 HydrophobicContact CD1-CE 3.84Å; M158-I160 HydrophobicContact CE-CD1 3.86Å; M158-I160 HydrophobicContact CE-CG1 4.1Å; M158-I160 HydrophobicContact CG-CG1 4.28Å; M158-I160 HydrophobicContact SD-CD1 4.33Å; M158-L174 HydrophobicContact CE-CD2 4.21Å; M158-L174 HydrophobicContact SD-CD1 3.89Å; M158-L174 HydrophobicContact SD-CD2 3.82Å; M158-L174 HydrophobicContact SD-CG 4.47Å; M158-L177 HydrophobicContact SD-CD1 4.24Å; M158-L180 HydrophobicContact CB-CD1 3.82Å; M158-Y182 PolarHBondContact N-O 2.77Å; M158-L183 HydrophobicContact CB-CD1 3.98Å; M158-L183 HydrophobicContact CG-CD1 4.3Å; M158-L183 WeakPolarHBondContact O-CA 3.35Å; M158-L184 PolarHBondContact O-N 3.11Å
159	E	98.9	Very high	98.1	Very high	47 Å²	47	38.2 Å²	38.2	22%	0.22	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.7	176.7	-54.2	-177.5	118.3	0	0	109.3	I129 R130 L131 I161 Y182 L184	I129-E159 PolarHBondContact O-N 2.96Å; R130-E159 HydrophobicContact CB-CB 4.37Å; R130-E159 WeakPolarHBondContact CD-OE2 3.24Å; R130-E159 HydrophobicContact CG-CB 4.19Å; R130-E159 WeakPolarHBondContact CG-OE2 3.47Å; R130-E159 IonicContact CZ-OE2 3.99Å; R130-E159 IonicContact NE-OE2 2.71Å; R130-E159 VanDerWaalsContact NH1-CD 3.25Å; R130-E159 IonicContact NH1-OE1 3.28Å; R130-E159 PolarHBondContact NH1-OE1 3.36Å; R130-E159 IonicContact NH1-OE2 3.45Å; R130-E159 PolarHBondContact NH1-OE2 3.4Å; L131-E159 PolarHBondContact N-O 3.45Å; E159-I161 HydrophobicContact CB-CD1 4.3Å; E159-Y182 HydrophobicContact CG-CE1 4.16Å; E159-L184 WeakPolarHBondContact CA-O 3.43Å; E159-L184 HydrophobicContact CB-CB 4.26Å; E159-L184 HydrophobicContact CB-CD2 4.5Å; E159-L184 HydrophobicContact CG-CB 4.06Å; E159-L184 HydrophobicContact CG-CD2 4.35Å
160	I	98.8	Very high	98.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	112.2	178.6	-50.4	-179.6	0	0	0	108.3	L131 L142 M158 C163 I171 L174 L184 L185 S186 L188	L131-I160 HydrophobicContact CD1-CG1 4.45Å; L131-I160 WeakPolarHBondContact O-CA 3.46Å; L142-I160 HydrophobicContact CD1-CD1 3.83Å; L142-I160 HydrophobicContact CD2-CD1 4Å; M158-I160 HydrophobicContact CE-CD1 3.86Å; M158-I160 HydrophobicContact CE-CG1 4.1Å; M158-I160 HydrophobicContact CG-CG1 4.28Å; M158-I160 HydrophobicContact SD-CD1 4.33Å; I160-C163 HydrophobicContact CG2-CB 4.01Å; I160-I171 HydrophobicContact CD1-CD1 3.82Å; I160-L174 HydrophobicContact CD1-CD1 3.67Å; I160-L184 PolarHBondContact N-O 3.26Å; I160-L185 HydrophobicContact CB-CD2 4.03Å; I160-L185 HydrophobicContact CD1-CD2 4.2Å; I160-L185 HydrophobicContact CG1-CD2 4.29Å; I160-S186 PolarHBondContact O-N 2.82Å; I160-L188 HydrophobicContact CB-CD1 4.32Å; I160-L188 HydrophobicContact CG2-CD1 4.02Å; I160-L188 HydrophobicContact CG2-CD2 3.97Å
161	I	98.8	Very high	98.2	Very high	19 Å²	19	31.6 Å²	31.6	10%	0.097	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.1	-165.4	-54.1	172.5	0	0	0	110	R130 L131 C132 K133 E159 C163 L184 S186	R130-I161 VanDerWaalsContact CZ-CD1 3.44Å; R130-I161 VanDerWaalsContact NH1-CD1 3.25Å; R130-I161 VanDerWaalsContact NH2-CD1 3.3Å; L131-I161 PolarHBondContact O-N 3.03Å; C132-I161 CarbonylContact C-O 3.53Å; C132-I161 VanDerWaalsContact CA-O 3.27Å; C132-I161 WeakPolarHBondContact CA-O 3.29Å; C132-I161 HydrophobicContact CB-CB 4.25Å; K133-I161 PolarHBondContact N-O 3.22Å; E159-I161 HydrophobicContact CB-CD1 4.3Å; I161-C163 PolarHBondContact O-N 3.32Å; I161-L184 HydrophobicContact CD1-CD2 4.02Å; I161-L184 HydrophobicContact CG1-CD2 4.45Å; I161-S186 CarbonylContact C-O 3.22Å; I161-S186 VanDerWaalsContact CA-O 3.28Å; I161-S186 WeakPolarHBondContact CA-O 3.39Å
162	S	98.6	Very high	98.2	Very high	26 Å²	26	33.6 Å²	33.6	18%	0.182	18%	0.176	C	C	.	.	S	Bend	trans	55.8	33.6	176.1	-54.8	0	0	0	0	113.9	S186 D187	S162-S186 PolarHBondContact N-O 2.92Å; S162-D187 VanDerWaalsContact CA-O 3.29Å; S162-D187 WeakPolarHBondContact CA-O 3.3Å; S162-D187 WeakPolarHBondContact CB-OD2 3.26Å; S162-D187 PolarHBondContact N-O 3.37Å; S162-D187 PolarHBondContact OG-OD2 3.18Å
163	C	98.4	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.			trans	-94.7	89.2	173.9	-71	0	0	0	0	109.5	I160 I161 N165 I166 L188	I160-C163 HydrophobicContact CG2-CB 4.01Å; I161-C163 PolarHBondContact O-N 3.32Å; C163-N165 VanDerWaalsContact C-N 3.3Å; C163-N165 PolarHBondContact O-N 2.97Å; C163-N165 VanDerWaalsContact O-N 3.17Å; C163-I166 HydrophobicContact CB-CG1 3.82Å; C163-I166 PolarHBondContact O-N 3.47Å; C163-L188 HydrophobicContact CB-CD2 4.03Å
164	G	97.1	Very high	98.4	Very high	35 Å²	35	27.5 Å²	27.5	36%	0.361	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.6	-165	0	0	0	0	0	117.3
165	N	97.7	Very high	98.3	Very high	80 Å²	80	32.3 Å²	32.3	43%	0.428	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-95.4	-0.1	-179.4	-52.2	-32.1	0	0	0	113.3	H135 I137 E138 C163	H135-N165 PolarHBondContact O-ND2 2.87Å; I137-N165 WeakPolarHBondContact O-CB 3.4Å; E138-N165 HydrophobicContact CG-CB 3.96Å; C163-N165 VanDerWaalsContact C-N 3.3Å; C163-N165 PolarHBondContact O-N 2.97Å; C163-N165 VanDerWaalsContact O-N 3.17Å
166	I	98.4	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.			trans	-80.4	133.3	175.9	-64.3	-56.7	0	0	0	109.9	I137 E138 L142 C163 I171 L188 G190	I137-I166 HydrophobicContact CG2-CD1 3.79Å; I137-I166 HydrophobicContact CG2-CG1 4.44Å; E138-I166 VanDerWaalsContact C-CD1 3.44Å; L142-I166 HydrophobicContact CD1-CD1 3.61Å; L142-I166 HydrophobicContact CD1-CG1 4.21Å; L142-I166 HydrophobicContact CD1-CG2 3.79Å; L142-I166 HydrophobicContact CG-CD1 3.85Å; C163-I166 HydrophobicContact CB-CG1 3.82Å; C163-I166 PolarHBondContact O-N 3.47Å; I166-I171 HydrophobicContact CG2-CD1 3.52Å; I166-I171 HydrophobicContact CG2-CG1 3.79Å; I166-L188 HydrophobicContact CG2-CD1 4.46Å; I166-G190 CarbonylContact O-C 3.57Å; I166-G190 WeakPolarHBondContact O-CA 3.4Å
167	T	98.5	Very high	98.2	Very high	47 Å²	47	34.2 Å²	34.2	29%	0.288	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-119.4	177.6	176.5	81.7	0	0	0	0	111.5	D139 K169 G170 I171 G190	D139-T167 PolarHBondContact OD1-N 3.21Å; D139-T167 PolarHBondContact OD1-OG1 3.39Å; D139-T167 PolarHBondContact OD2-OG1 2.87Å; T167-K169 PolarHBondContact O-N 3.38Å; T167-K169 VanDerWaalsContact O-N 3.15Å; T167-K169 PolarHBondContact OG1-N 3.3Å; T167-G170 PolarHBondContact O-N 2.96Å; T167-G170 VanDerWaalsContact O-N 3.16Å; T167-I171 PolarHBondContact O-N 2.98Å; T167-G190 WeakPolarHBondContact CA-O 3.08Å
168	D	98.4	Very high	98.1	Very high	20 Å²	20	37.4 Å²	37.4	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-50.8	-35.9	173.6	-54.1	-88	0	0	0	112.1	G170 I171 I172 V191 R192 E193 L197	D168-G170 PolarHBondContact O-N 3Å; D168-I171 PolarHBondContact O-N 3.49Å; D168-I172 WeakPolarHBondContact O-CB 3.34Å; D168-I172 WeakPolarHBondContact O-CG1 3.29Å; D168-I172 PolarHBondContact O-N 3.16Å; D168-V191 WeakPolarHBondContact OD1-CG1 3.47Å; D168-R192 PolarHBondContact OD1-N 3.02Å; D168-R192 VanDerWaalsContact OD1-N 3.15Å; D168-R192 PolarHBondContact OD2-N 3.08Å; D168-E193 PolarHBondContact OD1-N 3.47Å; D168-L197 HydrophobicContact CB-CD2 4.46Å
169	K	98.1	Very high	98	Very high	123 Å²	123	40.7 Å²	40.7	54%	0.535	20%	0.201	S	C	.	.	H	α-helix	trans	-59.2	-49.5	178.6	179.6	-165.1	171.5	-158	0	112	D139 D140 T167 A173	D139-K169 HydrophobicContact CB-CD 4.28Å; D140-K169 IonicContact OD1-NZ 3.61Å; T167-K169 PolarHBondContact O-N 3.38Å; T167-K169 VanDerWaalsContact O-N 3.15Å; T167-K169 PolarHBondContact OG1-N 3.3Å; K169-A173 PolarHBondContact O-N 3.06Å
170	G	98.1	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-41	-179.7	0	0	0	0	0	111.7	D139 L142 T167 D168 A173	D139-G170 VanDerWaalsContact CG-N 3.31Å; D139-G170 VanDerWaalsContact OD1-CA 3.26Å; D139-G170 WeakPolarHBondContact OD1-CA 3.42Å; D139-G170 PolarHBondContact OD1-N 3.11Å; D139-G170 VanDerWaalsContact OD1-N 3.11Å; L142-G170 VanDerWaalsContact CB-O 3.28Å; L142-G170 WeakPolarHBondContact CB-O 3.14Å; T167-G170 PolarHBondContact O-N 2.96Å; T167-G170 VanDerWaalsContact O-N 3.16Å; D168-G170 PolarHBondContact O-N 3Å; G170-A173 WeakPolarHBondContact O-CB 3.48Å; G170-A173 PolarHBondContact O-N 2.68Å
171	I	98.6	Very high	98	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-46.5	177.8	-61.6	-52.5	0	0	0	111.4	L142 I160 I166 T167 D168 A173 L174 L185 L188 V191 L197 F201	L142-I171 HydrophobicContact CD1-CD1 3.96Å; I160-I171 HydrophobicContact CD1-CD1 3.82Å; I166-I171 HydrophobicContact CG2-CD1 3.52Å; I166-I171 HydrophobicContact CG2-CG1 3.79Å; T167-I171 PolarHBondContact O-N 2.98Å; D168-I171 PolarHBondContact O-N 3.49Å; I171-A173 PolarHBondContact O-N 3.14Å; I171-A173 VanDerWaalsContact O-N 3.16Å; I171-L174 HydrophobicContact CD1-CD1 4.44Å; I171-L174 VanDerWaalsContact O-CB 3.29Å; I171-L174 WeakPolarHBondContact O-CB 3.42Å; I171-L174 WeakPolarHBondContact O-CG 3.47Å; I171-L174 PolarHBondContact O-N 3.37Å; I171-L185 HydrophobicContact CD1-CD1 4.21Å; I171-L185 HydrophobicContact CD1-CD2 3.66Å; I171-L185 HydrophobicContact CG1-CD1 4.24Å; I171-L185 HydrophobicContact CG2-CD1 3.55Å; I171-L188 HydrophobicContact CD1-CD1 4.12Å; I171-V191 HydrophobicContact CG1-CG2 3.9Å; I171-L197 HydrophobicContact CB-CD1 4.42Å; I171-L197 HydrophobicContact CB-CD2 4.14Å; I171-L197 HydrophobicContact CG2-CD1 3.92Å; I171-L197 HydrophobicContact CG2-CD2 3.8Å; I171-L197 HydrophobicContact CG2-CG 4.45Å; I171-F201 HydrophobicContact CG2-CE2 3.68Å; I171-F201 HydrophobicContact CG2-CZ 4.02Å; I171-F201 WeakPolarHBondContact O-CZ 3.49Å
172	I	98.4	Very high	98	Very high	41 Å²	41	47.5 Å²	47.5	21%	0.21	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-32.8	178.8	-73.3	166.7	0	0	0	111.6	D168 L174 R175 L197 V200	D168-I172 WeakPolarHBondContact O-CB 3.34Å; D168-I172 WeakPolarHBondContact O-CG1 3.29Å; D168-I172 PolarHBondContact O-N 3.16Å; I172-L174 PolarHBondContact O-N 3.4Å; I172-R175 WeakPolarHBondContact O-CB 3.48Å; I172-R175 WeakPolarHBondContact O-CD 3.42Å; I172-R175 WeakPolarHBondContact O-CG 3.3Å; I172-R175 PolarHBondContact O-N 3.06Å; I172-R175 VanDerWaalsContact O-N 3.14Å; I172-L197 HydrophobicContact CD1-CD2 4.2Å; I172-L197 HydrophobicContact CG1-CD2 3.57Å; I172-V200 HydrophobicContact CG1-CG1 4.49Å; I172-V200 HydrophobicContact CG2-CG1 4.33Å
173	A	97.9	Very high	98	Very high	8 Å²	8	46.3 Å²	46.3	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-23.8	178.4	0	0	0	0	0	113.3	L143 K169 G170 I171 R175 H176	L143-A173 HydrophobicContact CB-CB 4.33Å; L143-A173 HydrophobicContact CD1-CB 4.06Å; K169-A173 PolarHBondContact O-N 3.06Å; G170-A173 WeakPolarHBondContact O-CB 3.48Å; G170-A173 PolarHBondContact O-N 2.68Å; I171-A173 PolarHBondContact O-N 3.14Å; I171-A173 VanDerWaalsContact O-N 3.16Å; A173-R175 PolarHBondContact O-N 3.3Å; A173-H176 PolarHBondContact O-CD2 3.43Å; A173-H176 VanDerWaalsContact O-CD2 3.28Å; A173-H176 PolarHBondContact O-N 3.43Å
174	L	98.1	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-69.8	-11.8	178.4	-55.3	176.8	0	0	0	113.3	L142 M158 I160 I171 I172 H176 L177 L183 F201	L142-L174 HydrophobicContact CB-CD2 4.13Å; L142-L174 HydrophobicContact CD2-CD2 4.37Å; M158-L174 HydrophobicContact CE-CD2 4.21Å; M158-L174 HydrophobicContact SD-CD1 3.89Å; M158-L174 HydrophobicContact SD-CD2 3.82Å; M158-L174 HydrophobicContact SD-CG 4.47Å; I160-L174 HydrophobicContact CD1-CD1 3.67Å; I171-L174 HydrophobicContact CD1-CD1 4.44Å; I171-L174 VanDerWaalsContact O-CB 3.29Å; I171-L174 WeakPolarHBondContact O-CB 3.42Å; I171-L174 WeakPolarHBondContact O-CG 3.47Å; I171-L174 PolarHBondContact O-N 3.37Å; I172-L174 PolarHBondContact O-N 3.4Å; L174-H176 PolarHBondContact O-N 3.45Å; L174-L177 HydrophobicContact CB-CD1 4.38Å; L174-L177 HydrophobicContact CD2-CD1 4Å; L174-L177 WeakPolarHBondContact O-CB 3.47Å; L174-L177 WeakPolarHBondContact O-CG 3.43Å; L174-L177 PolarHBondContact O-N 3.35Å; L174-L183 HydrophobicContact CD1-CD1 4.22Å; L174-L183 HydrophobicContact CD1-CD2 4.38Å; L174-F201 HydrophobicContact CB-CE1 4.33Å; L174-F201 HydrophobicContact CB-CZ 4.17Å
175	R	97.4	Very high	98.1	Very high	116 Å²	116	45.2 Å²	45.2	44%	0.438	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-56.6	-21.3	173.6	76.6	-172.6	177.7	173.1	-2.5	113.7	I172 A173 L177 V200 F201 A204	I172-R175 WeakPolarHBondContact O-CB 3.48Å; I172-R175 WeakPolarHBondContact O-CD 3.42Å; I172-R175 WeakPolarHBondContact O-CG 3.3Å; I172-R175 PolarHBondContact O-N 3.06Å; I172-R175 VanDerWaalsContact O-N 3.14Å; A173-R175 PolarHBondContact O-N 3.3Å; R175-L177 VanDerWaalsContact C-N 3.27Å; R175-V200 HydrophobicContact CB-CG1 4.46Å; R175-F201 HydrophobicContact CB-CE1 4.32Å; R175-A204 HydrophobicContact CB-CB 3.87Å
176	H	97.5	Very high	98.1	Very high	83 Å²	83	42.3 Å²	42.3	38%	0.384	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-75.5	-15.6	177.6	-65.6	-62.3	0	0	0	112.9	G146 Q152 A173 L174 R178	G146-H176 WeakPolarHBondContact O-CB 3.48Å; Q152-H176 HydrophobicContact CG-CB 4.47Å; Q152-H176 VanDerWaalsContact CG-O 3.26Å; Q152-H176 WeakPolarHBondContact CG-O 3.3Å; A173-H176 PolarHBondContact O-CD2 3.43Å; A173-H176 VanDerWaalsContact O-CD2 3.28Å; A173-H176 PolarHBondContact O-N 3.43Å; L174-H176 PolarHBondContact O-N 3.45Å; H176-R178 PolarHBondContact O-N 2.9Å
177	L	97.8	Very high	98.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	20%	0.204	C	C	.	.			trans	-76.4	71.2	174.5	-55.5	-179.6	0	0	0	110.3	L151 Q152 I155 M158 L174 R175 N179 L180	L151-L177 HydrophobicContact CB-CD2 4.46Å; Q152-L177 HydrophobicContact CG-CD2 4.31Å; I155-L177 HydrophobicContact CD1-CD1 4.05Å; I155-L177 HydrophobicContact CD1-CD2 4.15Å; I155-L177 HydrophobicContact CG2-CD1 4.29Å; M158-L177 HydrophobicContact SD-CD1 4.24Å; L174-L177 HydrophobicContact CB-CD1 4.38Å; L174-L177 HydrophobicContact CD2-CD1 4Å; L174-L177 WeakPolarHBondContact O-CB 3.47Å; L174-L177 WeakPolarHBondContact O-CG 3.43Å; L174-L177 PolarHBondContact O-N 3.35Å; R175-L177 VanDerWaalsContact C-N 3.27Å; L177-N179 PolarHBondContact O-N 3.11Å; L177-L180 HydrophobicContact CB-CB 4.03Å; L177-L180 WeakPolarHBondContact O-CB 3.23Å; L177-L180 PolarHBondContact O-N 2.88Å
178	R	95.4	Very high	98.1	Very high	140 Å²	140	43.7 Å²	43.7	53%	0.528	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.7	-170.8	59.4	178.1	172.5	-154.2	-3.4	116.3	Q152 K153 H176	Q152-R178 VanDerWaalsContact O-CG 3.29Å; Q152-R178 WeakPolarHBondContact O-CG 3.47Å; K153-R178 VanDerWaalsContact CE-NH2 3.27Å; H176-R178 PolarHBondContact O-N 2.9Å
179	N	97.1	Very high	98	Very high	68 Å²	68	47.1 Å²	47.1	36%	0.364	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	2.1	178.8	-70.5	-19	0	0	0	113.4	K153 I155 L156 L177 R181	K153-N179 PolarHBondContact O-ND2 2.93Å; I155-N179 CarbonylContact O-C 3.56Å; I155-N179 VanDerWaalsContact O-C 3.22Å; L156-N179 HydrophobicContact CD2-CB 4.29Å; L156-N179 WeakPolarHBondContact CD2-O 3.41Å; L177-N179 PolarHBondContact O-N 3.11Å; N179-R181 WeakPolarHBondContact O-CG 3.43Å; N179-R181 PolarHBondContact O-N 3.12Å
180	L	98.5	Very high	98	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.198	C	C	.	.			trans	-63.8	123.5	178.5	-170.5	72.7	0	0	0	109.8	I155 M158 L177 Y182 L183 L205 L208	I155-L180 HydrophobicContact CG2-CD1 3.62Å; I155-L180 PolarHBondContact O-N 3.08Å; M158-L180 HydrophobicContact CB-CD1 3.82Å; L177-L180 HydrophobicContact CB-CB 4.03Å; L177-L180 WeakPolarHBondContact O-CB 3.23Å; L177-L180 PolarHBondContact O-N 2.88Å; L180-Y182 WeakPolarHBondContact CD1-O 3.32Å; L180-L183 HydrophobicContact CD2-CB 4.06Å; L180-L183 HydrophobicContact CD2-CD1 4.49Å; L180-L183 HydrophobicContact CD2-CD2 4.33Å; L180-L205 HydrophobicContact CB-CD1 4.2Å; L180-L205 HydrophobicContact CD2-CD1 4.39Å; L180-L208 HydrophobicContact CB-CD1 4.28Å; L180-L208 HydrophobicContact CD2-CD1 3.92Å; L180-L208 HydrophobicContact CG-CD1 3.74Å
181	R	98.4	Very high	98	Very high	168 Å²	168	42.4 Å²	42.4	63%	0.634	20%	0.201	S	C	*	.			trans	-108.6	-24.8	-178.6	-60.2	-175.1	-179	-177.6	-1.6	112.6	L156 N179 E209	L156-R181 PolarHBondContact O-N 2.98Å; N179-R181 WeakPolarHBondContact O-CG 3.43Å; N179-R181 PolarHBondContact O-N 3.12Å; R181-E209 WeakPolarHBondContact O-CB 3.43Å; R181-E209 PolarHBondContact O-N 3.41Å
182	Y	98.9	Very high	97.8	Very high	41 Å²	41	52.2 Å²	52.2	16%	0.161	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.3	179.7	-177.1	-98.5	0	0	0	110.7	L156 E157 M158 E159 L180 L184 E209	L156-Y182 PolarHBondContact O-N 2.95Å; L156-Y182 VanDerWaalsContact O-N 3.13Å; E157-Y182 WeakPolarHBondContact CA-O 3.38Å; E157-Y182 HydrophobicContact CB-CD1 4.47Å; M158-Y182 PolarHBondContact N-O 2.77Å; E159-Y182 HydrophobicContact CG-CE1 4.16Å; L180-Y182 WeakPolarHBondContact CD1-O 3.32Å; Y182-L184 HydrophobicContact CE1-CB 3.76Å; Y182-E209 HydrophobicContact CD2-CB 4.15Å; Y182-E209 HydrophobicContact CD2-CG 4.15Å; Y182-E209 HydrophobicContact CE2-CG 4.42Å
183	L	98.8	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	116.2	172.2	-178.7	57.9	0	0	0	110.4	M158 L174 L180 L185 F201 L208 E209 L210 K211	M158-L183 HydrophobicContact CB-CD1 3.98Å; M158-L183 HydrophobicContact CG-CD1 4.3Å; M158-L183 WeakPolarHBondContact O-CA 3.35Å; L174-L183 HydrophobicContact CD1-CD1 4.22Å; L174-L183 HydrophobicContact CD1-CD2 4.38Å; L180-L183 HydrophobicContact CD2-CB 4.06Å; L180-L183 HydrophobicContact CD2-CD1 4.49Å; L180-L183 HydrophobicContact CD2-CD2 4.33Å; L183-L185 HydrophobicContact CD1-CD2 3.8Å; L183-L185 HydrophobicContact CD1-CG 4.48Å; L183-L185 HydrophobicContact CD2-CD1 4.5Å; L183-L185 HydrophobicContact CD2-CD2 4.29Å; L183-L185 HydrophobicContact CD2-CG 4.43Å; L183-L185 HydrophobicContact CG-CD2 3.97Å; L183-L185 HydrophobicContact CG-CG 4.13Å; L183-F201 HydrophobicContact CD2-CE1 4.15Å; L183-F201 HydrophobicContact CD2-CE2 3.92Å; L183-F201 HydrophobicContact CD2-CZ 3.67Å; L183-L208 HydrophobicContact CB-CD1 3.96Å; L183-L208 HydrophobicContact CB-CD2 4.14Å; L183-L208 HydrophobicContact CB-CG 4.4Å; L183-L208 HydrophobicContact CD2-CD2 4.43Å; L183-E209 PolarHBondContact N-O 2.83Å; L183-L210 HydrophobicContact CB-CD1 3.96Å; L183-L210 HydrophobicContact CD2-CD1 3.83Å; L183-L210 HydrophobicContact CG-CD1 3.9Å; L183-K211 PolarHBondContact O-N 2.91Å
184	L	98.8	Very high	97.5	Very high	13 Å²	13	57 Å²	57	7%	0.068	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.7	170.7	172.1	62.3	0	0	0	110.4	M158 E159 I160 I161 Y182 K211 Q213	M158-L184 PolarHBondContact O-N 3.11Å; E159-L184 WeakPolarHBondContact CA-O 3.43Å; E159-L184 HydrophobicContact CB-CB 4.26Å; E159-L184 HydrophobicContact CB-CD2 4.5Å; E159-L184 HydrophobicContact CG-CB 4.06Å; E159-L184 HydrophobicContact CG-CD2 4.35Å; I160-L184 PolarHBondContact N-O 3.26Å; I161-L184 HydrophobicContact CD1-CD2 4.02Å; I161-L184 HydrophobicContact CG1-CD2 4.45Å; Y182-L184 HydrophobicContact CE1-CB 3.76Å; L184-K211 WeakPolarHBondContact CA-O 3.47Å; L184-K211 HydrophobicContact CD1-CB 3.97Å; L184-K211 HydrophobicContact CD1-CD 3.94Å; L184-K211 HydrophobicContact CD1-CG 3.73Å; L184-Q213 HydrophobicContact CD1-CG 4.38Å
185	L	98.8	Very high	97.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.9	171.3	-54.3	-177.3	0	0	0	109.2	I160 I171 L183 L188 L197 L210 K211 L212 Q213 L214	I160-L185 HydrophobicContact CB-CD2 4.03Å; I160-L185 HydrophobicContact CD1-CD2 4.2Å; I160-L185 HydrophobicContact CG1-CD2 4.29Å; I171-L185 HydrophobicContact CD1-CD1 4.21Å; I171-L185 HydrophobicContact CD1-CD2 3.66Å; I171-L185 HydrophobicContact CG1-CD1 4.24Å; I171-L185 HydrophobicContact CG2-CD1 3.55Å; L183-L185 HydrophobicContact CD1-CD2 3.8Å; L183-L185 HydrophobicContact CD1-CG 4.48Å; L183-L185 HydrophobicContact CD2-CD1 4.5Å; L183-L185 HydrophobicContact CD2-CD2 4.29Å; L183-L185 HydrophobicContact CD2-CG 4.43Å; L183-L185 HydrophobicContact CG-CD2 3.97Å; L183-L185 HydrophobicContact CG-CG 4.13Å; L185-L188 HydrophobicContact CB-CD1 4.06Å; L185-L188 HydrophobicContact CD2-CD1 4.13Å; L185-L197 HydrophobicContact CD1-CD1 4.35Å; L185-L210 HydrophobicContact CD1-CD1 4.46Å; L185-K211 PolarHBondContact N-O 2.77Å; L185-L212 HydrophobicContact CB-CD2 3.84Å; L185-L212 HydrophobicContact CD1-CD2 3.69Å; L185-L212 HydrophobicContact CG-CD2 4.01Å; L185-Q213 PolarHBondContact O-N 3.47Å; L185-L214 HydrophobicContact CB-CD1 4.37Å; L185-L214 HydrophobicContact CB-CD2 4.32Å; L185-L214 HydrophobicContact CB-CG 4.48Å
186	S	98.6	Very high	97.4	Very high	18 Å²	18	60.5 Å²	60.5	13%	0.126	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.1	-176.6	179.6	0	0	0	0	112	I160 I161 S162 L188 Q213	I160-S186 PolarHBondContact O-N 2.82Å; I161-S186 CarbonylContact C-O 3.22Å; I161-S186 VanDerWaalsContact CA-O 3.28Å; I161-S186 WeakPolarHBondContact CA-O 3.39Å; S162-S186 PolarHBondContact N-O 2.92Å; S186-L188 VanDerWaalsContact C-N 3.34Å; S186-L188 PolarHBondContact O-N 2.94Å; S186-Q213 WeakPolarHBondContact CA-O 3.23Å; S186-Q213 PolarHBondContact OG-OE1 3.48Å
187	D	98.1	Very high	97.4	Very high	70 Å²	70	56.5 Å²	56.5	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	51.7	49.9	173.4	-172.8	43.3	0	0	0	113	S162 P189 Q213	S162-D187 VanDerWaalsContact CA-O 3.29Å; S162-D187 WeakPolarHBondContact CA-O 3.3Å; S162-D187 WeakPolarHBondContact CB-OD2 3.26Å; S162-D187 PolarHBondContact N-O 3.37Å; S162-D187 PolarHBondContact OG-OD2 3.18Å; D187-P189 VanDerWaalsContact O-CD 3.31Å; D187-P189 WeakPolarHBondContact O-CD 3.43Å; D187-Q213 PolarHBondContact N-O 3.07Å
188	L	98.3	Very high	97.4	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	28%	0.276	C	S	.	.			trans	-108.2	91.8	178	-53.6	180	0	0	0	109.5	I160 C163 I166 I171 L185 S186 G190 V191 L214	I160-L188 HydrophobicContact CB-CD1 4.32Å; I160-L188 HydrophobicContact CG2-CD1 4.02Å; I160-L188 HydrophobicContact CG2-CD2 3.97Å; C163-L188 HydrophobicContact CB-CD2 4.03Å; I166-L188 HydrophobicContact CG2-CD1 4.46Å; I171-L188 HydrophobicContact CD1-CD1 4.12Å; L185-L188 HydrophobicContact CB-CD1 4.06Å; L185-L188 HydrophobicContact CD2-CD1 4.13Å; S186-L188 VanDerWaalsContact C-N 3.34Å; S186-L188 PolarHBondContact O-N 2.94Å; L188-G190 PolarHBondContact O-N 3.24Å; L188-V191 HydrophobicContact CB-CB 4.14Å; L188-V191 HydrophobicContact CB-CG2 3.67Å; L188-V191 HydrophobicContact CD1-CG2 4.02Å; L188-V191 PolarHBondContact O-N 2.89Å; L188-V191 VanDerWaalsContact O-N 3.12Å; L188-L214 HydrophobicContact CB-CD2 3.71Å; L188-L214 HydrophobicContact CD1-CD2 4.35Å; L188-L214 HydrophobicContact CG-CD2 3.97Å
189	P	97.1	Very high	97.5	Very high	92 Å²	92	58.5 Å²	58.5	60%	0.597	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.2	-174.3	27.3	-36.2	0	0	0	114	D187	D187-P189 VanDerWaalsContact O-CD 3.31Å; D187-P189 WeakPolarHBondContact O-CD 3.43Å
190	G	97.1	Very high	97.5	Very high	17 Å²	17	56.6 Å²	56.6	18%	0.175	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-81.6	-12	175.7	0	0	0	0	0	114.2	I166 T167 L188	I166-G190 CarbonylContact O-C 3.57Å; I166-G190 WeakPolarHBondContact O-CA 3.4Å; T167-G190 WeakPolarHBondContact CA-O 3.08Å; L188-G190 PolarHBondContact O-N 3.24Å
191	V	97.7	Very high	97.5	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.048	27%	0.27	C	S	.	.			trans	-92	115.6	179	178.2	0	0	0	0	109.1	D168 I171 L188 L197 L214	D168-V191 WeakPolarHBondContact OD1-CG1 3.47Å; I171-V191 HydrophobicContact CG1-CG2 3.9Å; L188-V191 HydrophobicContact CB-CB 4.14Å; L188-V191 HydrophobicContact CB-CG2 3.67Å; L188-V191 HydrophobicContact CD1-CG2 4.02Å; L188-V191 PolarHBondContact O-N 2.89Å; L188-V191 VanDerWaalsContact O-N 3.12Å; V191-L197 HydrophobicContact CG1-CD1 3.37Å; V191-L214 HydrophobicContact CB-CD1 4.15Å; V191-L214 HydrophobicContact CG1-CD1 3.57Å
192	R	95.6	Very high	97.4	Very high	205 Å²	205	54.7 Å²	54.7	77%	0.774	27%	0.267	S	S	*	.			trans	-117.5	-28.1	-170.2	-63.2	-178.3	178.5	173.6	0.8	113.8	D168	D168-R192 PolarHBondContact OD1-N 3.02Å; D168-R192 VanDerWaalsContact OD1-N 3.15Å; D168-R192 PolarHBondContact OD2-N 3.08Å
193	E	95.2	Very high	97.3	Very high	104 Å²	104	58.6 Å²	58.6	49%	0.486	30%	0.295	S	S	.	.			trans	-107.2	68	-171.5	-63.8	-177.6	-133.1	0	0	111.2	D168 E195 N196 L197	D168-E193 PolarHBondContact OD1-N 3.47Å; E193-E195 VanDerWaalsContact C-N 3.3Å; E193-E195 PolarHBondContact O-N 3.32Å; E193-N196 HydrophobicContact CB-CB 3.82Å; E193-N196 WeakPolarHBondContact O-CB 3.32Å; E193-N196 PolarHBondContact O-N 3.45Å; E193-N196 PolarHBondContact OE2-ND2 3.2Å; E193-L197 PolarHBondContact O-N 2.88Å
194	K	94.9	Very high	97.3	Very high	47 Å²	47	60.7 Å²	60.7	20%	0.204	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-40.7	-174.6	-56.8	178.9	-160.7	170.2	0	112.4	N196 L197 I198 L212 L214 K215	K194-N196 VanDerWaalsContact C-N 3.34Å; K194-N196 PolarHBondContact O-N 2.95Å; K194-L197 WeakPolarHBondContact O-CB 3.43Å; K194-L197 PolarHBondContact O-N 3.03Å; K194-I198 WeakPolarHBondContact O-CG1 3.43Å; K194-I198 PolarHBondContact O-N 2.78Å; K194-L212 HydrophobicContact CB-CD1 4.37Å; K194-L214 HydrophobicContact CD-CB 4.07Å; K194-L214 HydrophobicContact CG-CB 4.5Å; K194-L214 HydrophobicContact CG-CD1 4.2Å; K194-L214 PolarHBondContact NZ-O 3.46Å; K194-K215 WeakPolarHBondContact CE-O 3.5Å; K194-K215 PolarHBondContact NZ-O 3.29Å; K194-K215 PolarHBondContact NZ-OXT 3.14Å
195	E	95.9	Very high	97.2	Very high	131 Å²	131	60.5 Å²	60.5	61%	0.612	31%	0.312	S	S	*	.	H	α-helix	trans	-65.6	-39.1	-178.9	-64.7	69.8	-152.7	0	0	111.3	E193 I198 Q199	E193-E195 VanDerWaalsContact C-N 3.3Å; E193-E195 PolarHBondContact O-N 3.32Å; E195-I198 PolarHBondContact O-N 2.71Å; E195-Q199 WeakPolarHBondContact O-CG 3.43Å; E195-Q199 PolarHBondContact O-N 3.47Å; E195-Q199 VanDerWaalsContact O-N 3.1Å
196	N	96.7	Very high	97.1	Very high	57 Å²	57	65.8 Å²	65.8	31%	0.305	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-45.8	174.4	-174.4	-14.2	0	0	0	110.4	E193 K194 I198 Q199 V200	E193-N196 HydrophobicContact CB-CB 3.82Å; E193-N196 WeakPolarHBondContact O-CB 3.32Å; E193-N196 PolarHBondContact O-N 3.45Å; E193-N196 PolarHBondContact OE2-ND2 3.2Å; K194-N196 VanDerWaalsContact C-N 3.34Å; K194-N196 PolarHBondContact O-N 2.95Å; N196-I198 VanDerWaalsContact C-N 3.34Å; N196-I198 PolarHBondContact O-N 3.47Å; N196-Q199 PolarHBondContact O-N 3.46Å; N196-V200 WeakPolarHBondContact O-CG2 3.45Å; N196-V200 PolarHBondContact O-N 2.85Å; N196-V200 WeakPolarHBondContact OD1-CG2 3.41Å
197	L	97.3	Very high	97	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-57.9	-45.6	176.2	-67.2	-177.2	0	0	0	112.4	D168 I171 I172 L185 V191 E193 K194 Q199 V200 F201	D168-L197 HydrophobicContact CB-CD2 4.46Å; I171-L197 HydrophobicContact CB-CD1 4.42Å; I171-L197 HydrophobicContact CB-CD2 4.14Å; I171-L197 HydrophobicContact CG2-CD1 3.92Å; I171-L197 HydrophobicContact CG2-CD2 3.8Å; I171-L197 HydrophobicContact CG2-CG 4.45Å; I172-L197 HydrophobicContact CD1-CD2 4.2Å; I172-L197 HydrophobicContact CG1-CD2 3.57Å; L185-L197 HydrophobicContact CD1-CD1 4.35Å; V191-L197 HydrophobicContact CG1-CD1 3.37Å; E193-L197 PolarHBondContact O-N 2.88Å; K194-L197 WeakPolarHBondContact O-CB 3.43Å; K194-L197 PolarHBondContact O-N 3.03Å; L197-Q199 PolarHBondContact O-N 3.38Å; L197-V200 PolarHBondContact O-N 3.15Å; L197-F201 WeakPolarHBondContact O-CD2 3.47Å; L197-F201 PolarHBondContact O-N 3.31Å
198	I	97.6	Very high	97	Very high	60 Å²	60	67.4 Å²	67.4	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-57.2	-51.3	177	-68.5	164.6	0	0	0	109.8	K194 E195 N196 V200 F201 E202 L210 L212	K194-I198 WeakPolarHBondContact O-CG1 3.43Å; K194-I198 PolarHBondContact O-N 2.78Å; E195-I198 PolarHBondContact O-N 2.71Å; N196-I198 VanDerWaalsContact C-N 3.34Å; N196-I198 PolarHBondContact O-N 3.47Å; I198-V200 PolarHBondContact O-N 3.01Å; I198-F201 PolarHBondContact O-N 3.46Å; I198-E202 HydrophobicContact CG2-CG 4.1Å; I198-E202 WeakPolarHBondContact CG2-OE1 3.22Å; I198-E202 WeakPolarHBondContact O-CB 3.37Å; I198-E202 WeakPolarHBondContact O-CG 3.49Å; I198-E202 PolarHBondContact O-N 2.84Å; I198-L210 HydrophobicContact CG1-CD2 4.14Å; I198-L212 HydrophobicContact CD1-CD1 3.97Å; I198-L212 HydrophobicContact CG1-CD1 3.86Å
199	Q	97.9	Very high	97	Very high	123 Å²	123	73 Å²	73	58%	0.575	39%	0.387	S	S	*	.	H	α-helix	trans	-60.2	-42.8	-179.9	-71.4	177.8	-4.4	0	0	112.9	E195 N196 L197 F201 T203	E195-Q199 WeakPolarHBondContact O-CG 3.43Å; E195-Q199 PolarHBondContact O-N 3.47Å; E195-Q199 VanDerWaalsContact O-N 3.1Å; N196-Q199 PolarHBondContact O-N 3.46Å; L197-Q199 PolarHBondContact O-N 3.38Å; Q199-F201 PolarHBondContact O-N 2.99Å; Q199-T203 WeakPolarHBondContact O-CB 3.43Å; Q199-T203 PolarHBondContact O-N 3.36Å; Q199-T203 VanDerWaalsContact O-N 3.09Å; Q199-T203 PolarHBondContact O-OG1 3.37Å
200	V	97.9	Very high	97	Very high	28 Å²	28	70.8 Å²	70.8	17%	0.17	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-46.5	177.8	168.1	0	0	0	0	110.6	I172 R175 N196 L197 I198 A204	I172-V200 HydrophobicContact CG1-CG1 4.49Å; I172-V200 HydrophobicContact CG2-CG1 4.33Å; R175-V200 HydrophobicContact CB-CG1 4.46Å; N196-V200 WeakPolarHBondContact O-CG2 3.45Å; N196-V200 PolarHBondContact O-N 2.85Å; N196-V200 WeakPolarHBondContact OD1-CG2 3.41Å; L197-V200 PolarHBondContact O-N 3.15Å; I198-V200 PolarHBondContact O-N 3.01Å; V200-A204 VanDerWaalsContact O-CB 3.23Å; V200-A204 WeakPolarHBondContact O-CB 3.44Å; V200-A204 PolarHBondContact O-N 3.15Å
201	F	98.1	Very high	97.1	Very high	3 Å²	3	74.2 Å²	74.2	1%	0.013	38%	0.38	C	S	.	.	H	α-helix	trans	-76.6	-35.5	-177.9	-77.1	-63.1	0	0	0	113.6	I171 L174 R175 L183 L197 I198 Q199 T203 A204 L205 L208 L210	I171-F201 HydrophobicContact CG2-CE2 3.68Å; I171-F201 HydrophobicContact CG2-CZ 4.02Å; I171-F201 WeakPolarHBondContact O-CZ 3.49Å; L174-F201 HydrophobicContact CB-CE1 4.33Å; L174-F201 HydrophobicContact CB-CZ 4.17Å; R175-F201 HydrophobicContact CB-CE1 4.32Å; L183-F201 HydrophobicContact CD2-CE1 4.15Å; L183-F201 HydrophobicContact CD2-CE2 3.92Å; L183-F201 HydrophobicContact CD2-CZ 3.67Å; L197-F201 WeakPolarHBondContact O-CD2 3.47Å; L197-F201 PolarHBondContact O-N 3.31Å; I198-F201 PolarHBondContact O-N 3.46Å; Q199-F201 PolarHBondContact O-N 2.99Å; F201-T203 PolarHBondContact O-N 3.36Å; F201-A204 PolarHBondContact O-N 3.05Å; F201-L205 HydrophobicContact CD1-CD1 3.93Å; F201-L205 HydrophobicContact CD1-CG 4.48Å; F201-L205 HydrophobicContact CE1-CD1 4.2Å; F201-L205 CarbonylContact O-C 3.11Å; F201-L205 VanDerWaalsContact O-CA 3.3Å; F201-L205 WeakPolarHBondContact O-CA 3.38Å; F201-L205 PolarHBondContact O-N 3.42Å; F201-L205 VanDerWaalsContact O-O 3.14Å; F201-L208 HydrophobicContact CB-CD2 3.91Å; F201-L208 HydrophobicContact CD1-CD2 3.69Å; F201-L208 HydrophobicContact CE1-CD2 4.35Å; F201-L208 HydrophobicContact CG-CD2 3.84Å; F201-L210 HydrophobicContact CB-CD2 4.28Å; F201-L210 HydrophobicContact CD2-CD1 4.49Å; F201-L210 HydrophobicContact CD2-CD2 4.03Å
202	E	96.8	Very high	97.1	Very high	126 Å²	126	76.2 Å²	76.2	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-59.5	-38.5	171.9	-76.4	178.1	166.8	0	0	111.3	I198 P206	I198-E202 HydrophobicContact CG2-CG 4.1Å; I198-E202 WeakPolarHBondContact CG2-OE1 3.22Å; I198-E202 WeakPolarHBondContact O-CB 3.37Å; I198-E202 WeakPolarHBondContact O-CG 3.49Å; I198-E202 PolarHBondContact O-N 2.84Å; E202-P206 WeakPolarHBondContact O-CA 3.15Å
203	T	97.4	Very high	97.2	Very high	122 Å²	122	71.3 Å²	71.3	75%	0.748	38%	0.376	S	S	*	.	H	α-helix	trans	-74.9	-45.4	178.3	-54.8	0	0	0	0	112	Q199 F201	Q199-T203 WeakPolarHBondContact O-CB 3.43Å; Q199-T203 PolarHBondContact O-N 3.36Å; Q199-T203 VanDerWaalsContact O-N 3.09Å; Q199-T203 PolarHBondContact O-OG1 3.37Å; F201-T203 PolarHBondContact O-N 3.36Å
204	A	97.3	Very high	97.2	Very high	45 Å²	45	67.3 Å²	67.3	37%	0.372	36%	0.358	S	S	.	.	H	α-helix	trans	-82	-36.5	-173.4	0	0	0	0	0	113.5	R175 V200 F201	R175-A204 HydrophobicContact CB-CB 3.87Å; V200-A204 VanDerWaalsContact O-CB 3.23Å; V200-A204 WeakPolarHBondContact O-CB 3.44Å; V200-A204 PolarHBondContact O-N 3.15Å; F201-A204 PolarHBondContact O-N 3.05Å
205	L	97.4	Very high	96.8	Very high	8 Å²	8	76.3 Å²	76.3	4%	0.042	40%	0.397	C	S	.	.			trans	-136.3	70.9	-172.4	-56.8	179.1	0	0	0	109.8	L180 F201 S207 L208	L180-L205 HydrophobicContact CB-CD1 4.2Å; L180-L205 HydrophobicContact CD2-CD1 4.39Å; F201-L205 HydrophobicContact CD1-CD1 3.93Å; F201-L205 HydrophobicContact CD1-CG 4.48Å; F201-L205 HydrophobicContact CE1-CD1 4.2Å; F201-L205 CarbonylContact O-C 3.11Å; F201-L205 VanDerWaalsContact O-CA 3.3Å; F201-L205 WeakPolarHBondContact O-CA 3.38Å; F201-L205 PolarHBondContact O-N 3.42Å; F201-L205 VanDerWaalsContact O-O 3.14Å; L205-S207 PolarHBondContact O-N 3.34Å; L205-L208 HydrophobicContact CB-CB 3.83Å; L205-L208 HydrophobicContact CB-CD2 4.41Å; L205-L208 HydrophobicContact CD1-CD2 4.19Å; L205-L208 WeakPolarHBondContact O-CB 3.34Å; L205-L208 PolarHBondContact O-N 3.37Å
206	P	96.3	Very high	96.8	Very high	112 Å²	112	73.6 Å²	73.6	73%	0.727	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.2	-171	25	-35.7	0	0	0	114.6	E202	E202-P206 WeakPolarHBondContact O-CA 3.15Å
207	S	95.8	Very high	96.8	Very high	98 Å²	98	74.5 Å²	74.5	69%	0.685	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	6.7	175.6	62.3	0	0	0	0	113.8	L205	L205-S207 PolarHBondContact O-N 3.34Å
208	L	98.4	Very high	96.8	Very high	24 Å²	24	78.6 Å²	78.6	13%	0.126	41%	0.413	C	S	.	.			trans	-74.4	125.1	-178.7	-179.1	69.3	0	0	0	110.8	L180 L183 F201 L205 L210	L180-L208 HydrophobicContact CB-CD1 4.28Å; L180-L208 HydrophobicContact CD2-CD1 3.92Å; L180-L208 HydrophobicContact CG-CD1 3.74Å; L183-L208 HydrophobicContact CB-CD1 3.96Å; L183-L208 HydrophobicContact CB-CD2 4.14Å; L183-L208 HydrophobicContact CB-CG 4.4Å; L183-L208 HydrophobicContact CD2-CD2 4.43Å; F201-L208 HydrophobicContact CB-CD2 3.91Å; F201-L208 HydrophobicContact CD1-CD2 3.69Å; F201-L208 HydrophobicContact CE1-CD2 4.35Å; F201-L208 HydrophobicContact CG-CD2 3.84Å; L205-L208 HydrophobicContact CB-CB 3.83Å; L205-L208 HydrophobicContact CB-CD2 4.41Å; L205-L208 HydrophobicContact CD1-CD2 4.19Å; L205-L208 WeakPolarHBondContact O-CB 3.34Å; L205-L208 PolarHBondContact O-N 3.37Å; L208-L210 HydrophobicContact CD2-CB 4.26Å; L208-L210 HydrophobicContact CD2-CD1 4.46Å; L208-L210 HydrophobicContact CG-CB 4.41Å; L208-L210 PolarHBondContact O-N 2.84Å
209	E	98.5	Very high	96.8	Very high	122 Å²	122	79.7 Å²	79.7	57%	0.57	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	98.2	161.3	-172	-174.4	156.7	0	0	109	R181 Y182 L183	R181-E209 WeakPolarHBondContact O-CB 3.43Å; R181-E209 PolarHBondContact O-N 3.41Å; Y182-E209 HydrophobicContact CD2-CB 4.15Å; Y182-E209 HydrophobicContact CD2-CG 4.15Å; Y182-E209 HydrophobicContact CE2-CG 4.42Å; L183-E209 PolarHBondContact N-O 2.83Å
210	L	98.4	Very high	96.7	Very high	46 Å²	46	77 Å²	77	24%	0.241	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.3	177.4	-178.5	61.8	0	0	0	110.7	L183 L185 I198 F201 L208 L212	L183-L210 HydrophobicContact CB-CD1 3.96Å; L183-L210 HydrophobicContact CD2-CD1 3.83Å; L183-L210 HydrophobicContact CG-CD1 3.9Å; L185-L210 HydrophobicContact CD1-CD1 4.46Å; I198-L210 HydrophobicContact CG1-CD2 4.14Å; F201-L210 HydrophobicContact CB-CD2 4.28Å; F201-L210 HydrophobicContact CD2-CD1 4.49Å; F201-L210 HydrophobicContact CD2-CD2 4.03Å; L208-L210 HydrophobicContact CD2-CB 4.26Å; L208-L210 HydrophobicContact CD2-CD1 4.46Å; L208-L210 HydrophobicContact CG-CB 4.41Å; L208-L210 PolarHBondContact O-N 2.84Å; L210-L212 HydrophobicContact CD1-CD2 3.82Å; L210-L212 HydrophobicContact CD2-CD1 4.43Å; L210-L212 HydrophobicContact CD2-CD2 4.27Å; L210-L212 HydrophobicContact CD2-CG 4.43Å; L210-L212 HydrophobicContact CG-CD2 3.92Å; L210-L212 HydrophobicContact CG-CG 4.12Å
211	K	98.5	Very high	96.6	Very high	90 Å²	90	80.3 Å²	80.3	39%	0.391	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.9	177.1	-173.3	169.2	176.8	174.9	0	110.9	L183 L184 L185	L183-K211 PolarHBondContact O-N 2.91Å; L184-K211 WeakPolarHBondContact CA-O 3.47Å; L184-K211 HydrophobicContact CD1-CB 3.97Å; L184-K211 HydrophobicContact CD1-CD 3.94Å; L184-K211 HydrophobicContact CD1-CG 3.73Å; L185-K211 PolarHBondContact N-O 2.77Å
212	L	97.9	Very high	96.5	Very high	50 Å²	50	85.8 Å²	85.8	26%	0.262	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.2	-178.9	-56	-178.4	0	0	0	111	L185 K194 I198 L210 L214	L185-L212 HydrophobicContact CB-CD2 3.84Å; L185-L212 HydrophobicContact CD1-CD2 3.69Å; L185-L212 HydrophobicContact CG-CD2 4.01Å; K194-L212 HydrophobicContact CB-CD1 4.37Å; I198-L212 HydrophobicContact CD1-CD1 3.97Å; I198-L212 HydrophobicContact CG1-CD1 3.86Å; L210-L212 HydrophobicContact CD1-CD2 3.82Å; L210-L212 HydrophobicContact CD2-CD1 4.43Å; L210-L212 HydrophobicContact CD2-CD2 4.27Å; L210-L212 HydrophobicContact CD2-CG 4.43Å; L210-L212 HydrophobicContact CG-CD2 3.92Å; L210-L212 HydrophobicContact CG-CG 4.12Å; L212-L214 HydrophobicContact CD2-CD1 4.21Å
213	Q	97.2	Very high	96.5	Very high	102 Å²	102	82.7 Å²	82.7	48%	0.477	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	55.6	173	-64.4	-177.5	-16.7	0	0	109	L184 L185 S186 D187	L184-Q213 HydrophobicContact CD1-CG 4.38Å; L185-Q213 PolarHBondContact O-N 3.47Å; S186-Q213 WeakPolarHBondContact CA-O 3.23Å; S186-Q213 PolarHBondContact OG-OE1 3.48Å; D187-Q213 PolarHBondContact N-O 3.07Å
214	L	94.7	Very high	96.4	Very high	20 Å²	20	79.4 Å²	79.4	11%	0.105	42%	0.419	C	S	.	.			trans	-107.7	143.4	-174.9	-57.8	176.7	0	0	0	109.7	L185 L188 V191 K194 L212	L185-L214 HydrophobicContact CB-CD1 4.37Å; L185-L214 HydrophobicContact CB-CD2 4.32Å; L185-L214 HydrophobicContact CB-CG 4.48Å; L188-L214 HydrophobicContact CB-CD2 3.71Å; L188-L214 HydrophobicContact CD1-CD2 4.35Å; L188-L214 HydrophobicContact CG-CD2 3.97Å; V191-L214 HydrophobicContact CB-CD1 4.15Å; V191-L214 HydrophobicContact CG1-CD1 3.57Å; K194-L214 HydrophobicContact CD-CB 4.07Å; K194-L214 HydrophobicContact CG-CB 4.5Å; K194-L214 HydrophobicContact CG-CD1 4.2Å; K194-L214 PolarHBondContact NZ-O 3.46Å; L212-L214 HydrophobicContact CD2-CD1 4.21Å
215	K	86.3	Confident	96.3	Very high	236 Å²	236	82.5 Å²	82.5	100%	1.026	42%	0.423	S	S	*	.			trans	-67.6	0	177.4	-72.8	-179	-179.2	170.1	0	111.5	K194	K194-K215 WeakPolarHBondContact CE-O 3.5Å; K194-K215 PolarHBondContact NZ-O 3.29Å; K194-K215 PolarHBondContact NZ-OXT 3.14Å

Retrieved 215 of 215 residues in 63.2 ms (Link to these results)

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