A0A087X6C0_POEFO Loading...

Peptide-methionine (R)-S-oxide reductase

Methionine-sulfoxide reductase that specifically reduces methionine (R)-sulfoxide back to methionine. While in many cases methionine oxidation is the result of random oxidation following oxidative stress, methionine oxidation is also a post-translational modification that takes place on specific residues.

AlphaFold DB , UniProt , Accession A0A087X6C0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	46.2	Very low	240 Å²	240	159 Å²	159	100%	1.182	82%	0.824	S	S	*	*				0	126.6	0	-81.9	-67	168.4	0	0	108.4
2	A	43.7	Very low	46.3	Very low	95 Å²	95	153 Å²	153	79%	0.785	82%	0.815	S	S	*	*			trans	60.6	118.5	167.7	0	0	0	0	0	118.9
3	V	41.2	Very low	46.4	Very low	119 Å²	119	156.1 Å²	156.1	72%	0.721	82%	0.818	S	S	*	*			cis	93.6	109	37.6	171.8	0	0	0	0	113.2
4	F	43.1	Very low	46.3	Very low	177 Å²	177	157.5 Å²	157.5	78%	0.776	82%	0.818	S	S	*	*			trans	64.9	162.9	145.8	-69.4	-126.5	0	0	0	118.8
5	L	45.1	Very low	46.4	Very low	137 Å²	137	162.3 Å²	162.3	72%	0.717	82%	0.821	S	S	*	*			cis	-152.7	137.6	10.8	-99.8	112.9	0	0	0	106.5
6	R	51.7	Low	46.5	Very low	209 Å²	209	160.2 Å²	160.2	79%	0.789	82%	0.819	S	S	*	*				75	134.5	79.1	-119.4	-172.8	-171.5	-138.5	-0.1	117.6
7	R	50.1	Low	46.5	Very low	227 Å²	227	162 Å²	162	86%	0.857	83%	0.829	S	S	*	*			trans	85.7	131.5	160.3	-62.9	171.3	146.5	173	-8.3	115.6
8	G	47.3	Very low	46.2	Very low	76 Å²	76	157.4 Å²	157.4	78%	0.784	83%	0.829	S	S	*	*			cis	110.6	108.2	20.4	0	0	0	0	0	109.2
9	L	51	Low	46.4	Very low	159 Å²	159	159.7 Å²	159.7	83%	0.832	84%	0.835	S	S	*	*			trans	-149.3	105.8	167.1	-164.7	66.7	0	0	0	110.4
10	L	47.6	Very low	45.9	Very low	166 Å²	166	155.5 Å²	155.5	87%	0.869	83%	0.831	S	S	*	*			trans	-75.1	134.4	162.6	-89	90	0	0	0	108.7
11	L	47.4	Very low	46.1	Very low	144 Å²	144	153.9 Å²	153.9	75%	0.754	83%	0.832	S	S	*	*			trans	-108.5	105.3	163.7	-85.2	155.9	0	0	0	108.2
12	A	47.6	Very low	46.4	Very low	87 Å²	87	150.2 Å²	150.2	72%	0.719	82%	0.818	S	S	*	*			trans	-92.6	115	168	0	0	0	0	0	108.6
13	F	47.9	Very low	46.4	Very low	193 Å²	193	152.5 Å²	152.5	85%	0.846	82%	0.822	S	S	*	*			trans	-90.5	114.9	169.9	-94	-90	0	0	0	109.5
14	H	45.4	Very low	46.8	Very low	176 Å²	176	150.7 Å²	150.7	82%	0.815	82%	0.819	S	S	*	*			trans	-74.2	137.2	162.5	-84.5	-98.4	0	0	0	109.8
15	R	47.5	Very low	47	Very low	230 Å²	230	153.2 Å²	153.2	87%	0.868	83%	0.825	S	S	*	*			trans	-166.2	107.5	144.1	-112.7	170.6	169.8	-137.9	-3.6	113.9
16	T	47.4	Very low	47.7	Very low	128 Å²	128	152.2 Å²	152.2	79%	0.785	83%	0.827	S	S	*	*				56.4	110.8	127.8	60.1	0	0	0	0	119.9
17	L	47.4	Very low	47.8	Very low	191 Å²	191	147.7 Å²	147.7	100%	1	83%	0.828	S	S	*	*			trans	-73.6	123.5	157.7	-74.2	157.3	0	0	0	110
18	G	40.8	Very low	47.9	Very low	79 Å²	79	143.6 Å²	143.6	81%	0.814	83%	0.827	S	S	*	*			trans	-125	131.4	169.9	0	0	0	0	0	110
19	Q	48.7	Very low	48.4	Very low	202 Å²	202	147.5 Å²	147.5	94%	0.944	83%	0.829	S	S	*	*			trans	-87.4	162.6	-175.3	-71.4	168.2	5.8	0	0	113.4
20	G	37.8	Very low	48.2	Very low	74 Å²	74	145.3 Å²	145.3	76%	0.763	83%	0.825	S	S	*	*			trans	109.3	141.8	159.4	0	0	0	0	0	113
21	S	49.1	Very low	48.6	Very low	122 Å²	122	141.7 Å²	141.7	85%	0.853	82%	0.819	S	S	*	*			cis	-173.5	152.6	-2.2	33	0	0	0	0	106.8
22	N	46.5	Very low	48.8	Very low	164 Å²	164	138.9 Å²	138.9	88%	0.877	82%	0.816	S	S	*	*			trans	-46.3	138.9	176	-85.5	-31.1	0	0	0	114.8
23	T	43.7	Very low	49.2	Very low	143 Å²	143	141.2 Å²	141.2	88%	0.877	82%	0.821	S	S	*	*			trans	-155.2	123.8	135.1	31.5	0	0	0	0	109.4
24	A	49.2	Very low	49.6	Very low	80 Å²	80	139.6 Å²	139.6	66%	0.661	82%	0.82	S	S	*	*			trans	-75.7	148.8	165	0	0	0	0	0	109.6
25	Y	47.3	Very low	49.8	Very low	230 Å²	230	134 Å²	134	90%	0.902	81%	0.811	S	S	*	*				-176.5	147.2	123	-87.8	-64.8	0	0	0	109.9
26	P	61.3	Low	50.3	Low	116 Å²	116	127.5 Å²	127.5	75%	0.753	81%	0.806	S	S	*	*			trans	-89.4	149.7	-170.3	36.1	-31.2	0	0	0	111.1
27	S	53.6	Low	50.3	Low	115 Å²	115	127.5 Å²	127.5	80%	0.804	81%	0.81	S	S	*	*			trans	-145.8	122.2	156.9	58.1	0	0	0	0	110.4	L29	S27-L29 PolarHBondContact O-N 2.92Å
28	V	51.1	Low	50.6	Low	140 Å²	140	129.5 Å²	129.5	85%	0.848	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-67.6	117.5	179.6	-174.1	0	0	0	0	107.4	P30	V28-P30 WeakPolarHBondContact O-CD 3.35Å
29	L	58.8	Low	51.3	Low	159 Å²	159	131.1 Å²	131.1	83%	0.832	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77	122.6	167.3	-76.8	167.2	0	0	0	108	S27 A31	S27-L29 PolarHBondContact O-N 2.92Å; L29-A31 PolarHBondContact O-N 3.32Å
30	P	46.8	Very low	52	Low	113 Å²	113	130.5 Å²	130.5	73%	0.734	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.1	128.3	171.2	26.1	-29.1	0	0	0	108.3	V28 A32	V28-P30 WeakPolarHBondContact O-CD 3.35Å; P30-A32 VanDerWaalsContact C-N 3.35Å; P30-A32 PolarHBondContact O-N 3.35Å
31	A	55	Low	53.7	Low	90 Å²	90	133.7 Å²	133.7	74%	0.744	79%	0.79	S	S	*	*			trans	-57.6	100	167.7	0	0	0	0	0	108.3	L29 V33	L29-A31 PolarHBondContact O-N 3.32Å; A31-V33 VanDerWaalsContact C-N 3.29Å; A31-V33 PolarHBondContact O-N 3.4Å
32	A	53.1	Low	55.5	Low	84 Å²	84	133.9 Å²	133.9	69%	0.694	79%	0.786	S	S	*	*			trans	-64.5	98.6	163.7	0	0	0	0	0	106.5	P30 L34	P30-A32 VanDerWaalsContact C-N 3.35Å; P30-A32 PolarHBondContact O-N 3.35Å; A32-L34 PolarHBondContact O-N 2.85Å
33	V	54.9	Low	57.8	Low	136 Å²	136	130 Å²	130	82%	0.824	76%	0.759	S	S	*	*			trans	-66	85.9	165.4	-175.9	0	0	0	0	105.8	A31 G35	A31-V33 VanDerWaalsContact C-N 3.29Å; A31-V33 PolarHBondContact O-N 3.4Å; V33-G35 PolarHBondContact O-N 3.37Å
34	L	56.4	Low	60.4	Low	159 Å²	159	127.6 Å²	127.6	83%	0.832	75%	0.746	S	S	*	*			trans	-65.9	89.4	166	-75.7	165.6	0	0	0	106.4	A32 A36	A32-L34 PolarHBondContact O-N 2.85Å; L34-A36 PolarHBondContact O-N 2.82Å
35	G	50.3	Low	62.6	Low	60 Å²	60	126.4 Å²	126.4	62%	0.619	73%	0.73	S	S	*	*			trans	-58.4	101.4	166	0	0	0	0	0	108.2	V33 C37	V33-G35 PolarHBondContact O-N 3.37Å; G35-C37 PolarHBondContact O-N 3.27Å
36	A	57.9	Low	64.9	Low	92 Å²	92	120.6 Å²	120.6	76%	0.76	72%	0.723	S	S	*	*			trans	-66.1	99.6	171.3	0	0	0	0	0	108.2	L34 R38	L34-A36 PolarHBondContact O-N 2.82Å; A36-R38 PolarHBondContact O-N 2.85Å
37	C	46.8	Very low	66.6	Low	128 Å²	128	118 Å²	118	87%	0.865	70%	0.701	S	S	*	*			trans	-61.5	100.1	164.9	-66.9	0	0	0	0	107.7	G35 S39	G35-C37 PolarHBondContact O-N 3.27Å; C37-S39 PolarHBondContact O-N 3.21Å; C37-S39 VanDerWaalsContact O-N 3.08Å
38	R	53.9	Low	68.6	Low	233 Å²	233	116.5 Å²	116.5	88%	0.879	69%	0.688	S	S	*	*			trans	-62.9	111.3	168.3	-74.5	-177.3	-155.3	-123.3	-0.1	107.3	A36 K40	A36-R38 PolarHBondContact O-N 2.85Å; R38-K40 PolarHBondContact O-N 2.89Å
39	S	55.7	Low	70.7	Confident	113 Å²	113	115.6 Å²	115.6	79%	0.79	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60.4	120.1	167.5	53	0	0	0	0	107.8	C37 K41	C37-S39 PolarHBondContact O-N 3.21Å; C37-S39 VanDerWaalsContact O-N 3.08Å; S39-K41 PolarHBondContact O-N 2.98Å
40	K	63.7	Low	72.5	Confident	190 Å²	190	113.3 Å²	113.3	83%	0.826	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-68.6	123.9	171.6	-64.8	-179.5	-178	179.9	0	106.3	R38 T42	R38-K40 PolarHBondContact O-N 2.89Å; K40-T42 PolarHBondContact O-N 2.86Å; K40-T42 VanDerWaalsContact O-N 3.17Å
41	K	72.9	Confident	74.9	Confident	141 Å²	141	111.7 Å²	111.7	61%	0.613	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-59.5	119.9	169.9	-78.9	-177.4	178.7	-178.3	0	107.7	S39 W43	S39-K41 PolarHBondContact O-N 2.98Å; K41-W43 HydrophobicContact CB-CZ2 4.39Å; K41-W43 HydrophobicContact CD-CZ2 4.27Å
42	T	87.3	Confident	77	Confident	126 Å²	126	107.6 Å²	107.6	77%	0.773	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-101.5	128.4	176.6	53.7	0	0	0	0	108.9	K40	K40-T42 PolarHBondContact O-N 2.86Å; K40-T42 VanDerWaalsContact O-N 3.17Å
43	W	94.6	Very high	79.1	Confident	81 Å²	81	109.1 Å²	109.1	31%	0.307	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-100.1	150.9	178.6	-54.8	109.5	0	0	0	110.5	K41 V45 G141	K41-W43 HydrophobicContact CB-CZ2 4.39Å; K41-W43 HydrophobicContact CD-CZ2 4.27Å; W43-V45 PolarHBondContact O-N 2.91Å; W43-G141 VanDerWaalsContact CD2-CA 3.45Å
44	P	97	Very high	81.2	Confident	93 Å²	93	111.3 Å²	111.3	60%	0.604	59%	0.594	S	S	*	*	S	Bend	trans	-54.2	-37	177	-28.8	34.4	0	0	0	114.4	S138 Q139	P44-S138 VanDerWaalsContact CD-O 3.31Å; P44-S138 WeakPolarHBondContact CD-O 3.29Å; P44-Q139 VanDerWaalsContact CD-O 3.25Å; P44-Q139 WeakPolarHBondContact CD-O 3.27Å
45	V	97.1	Very high	83.1	Confident	55 Å²	55	109 Å²	109	33%	0.333	57%	0.574	S	S	.	*			trans	-123.7	138.2	-179	-174.5	0	0	0	0	109.2	W43 F47 Q139 C140	W43-V45 PolarHBondContact O-N 2.91Å; V45-F47 HydrophobicContact CG1-CD2 4.35Å; V45-F47 HydrophobicContact CG1-CE1 4.41Å; V45-F47 HydrophobicContact CG1-CE2 3.55Å; V45-F47 HydrophobicContact CG1-CZ 3.58Å; V45-Q139 PolarHBondContact N-O 3.04Å; V45-C140 WeakPolarHBondContact O-CA 3.35Å
46	S	95.3	Very high	85.4	Confident	108 Å²	108	106.6 Å²	106.6	76%	0.755	55%	0.547	S	S	*	.			trans	-140	148.4	174.8	68.9	0	0	0	0	110.7
47	F	95.9	Very high	87.4	Confident	63 Å²	63	105.6 Å²	105.6	28%	0.276	53%	0.532	S	S	.	.			trans	-126.6	144.9	-179.1	-59	-87.5	0	0	0	109.7	V45 E51 L52 V90 C91	V45-F47 HydrophobicContact CG1-CD2 4.35Å; V45-F47 HydrophobicContact CG1-CE1 4.41Å; V45-F47 HydrophobicContact CG1-CE2 3.55Å; V45-F47 HydrophobicContact CG1-CZ 3.58Å; F47-E51 WeakPolarHBondContact CD1-OE1 3.45Å; F47-L52 HydrophobicContact CB-CD1 4.16Å; F47-L52 HydrophobicContact CB-CD2 3.72Å; F47-L52 HydrophobicContact CB-CG 3.83Å; F47-L52 HydrophobicContact CD2-CD2 4.3Å; F47-L52 HydrophobicContact CG-CD2 4.06Å; F47-V90 HydrophobicContact CD2-CG1 4.05Å; F47-V90 HydrophobicContact CE2-CG1 4.18Å; F47-C91 HydrophobicContact CE2-CB 3.88Å; F47-C91 HydrophobicContact CZ-CB 4.21Å
48	P	96.6	Very high	89.8	Confident	83 Å²	83	105 Å²	105	54%	0.539	53%	0.526	S	S	.	.			trans	-62.1	141.7	170.8	-20.2	32.5	0	0	0	111.7	E50 E51 L52	P48-E50 VanDerWaalsContact C-N 3.27Å; P48-E50 PolarHBondContact O-N 3.18Å; P48-E51 HydrophobicContact CB-CB 4.41Å; P48-E51 WeakPolarHBondContact CD-OE2 3.38Å; P48-E51 WeakPolarHBondContact O-CB 3.27Å; P48-E51 PolarHBondContact O-N 2.82Å; P48-L52 PolarHBondContact O-N 2.77Å
49	Q	94.6	Very high	91.9	Very high	120 Å²	120	98 Å²	98	56%	0.561	50%	0.502	S	S	*	.	H	α-helix	trans	-58.6	-37.7	-179.3	-70.6	-168.4	0.6	0	0	113.2	E51 L52 R53	Q49-E51 VanDerWaalsContact C-N 3.28Å; Q49-E51 PolarHBondContact O-N 3.34Å; Q49-L52 PolarHBondContact O-N 3.38Å; Q49-R53 WeakPolarHBondContact O-CG 3.49Å; Q49-R53 PolarHBondContact O-N 3Å
50	E	97.1	Very high	94	Very high	112 Å²	112	94.8 Å²	94.8	52%	0.523	48%	0.475	S	S	.	.	H	α-helix	trans	-65.5	-31.3	178.3	-66.5	-54.8	141.9	0	0	112.9	P48 R53 K54	P48-E50 VanDerWaalsContact C-N 3.27Å; P48-E50 PolarHBondContact O-N 3.18Å; E50-R53 IonicContact OE1-NH1 2.74Å; E50-R53 PolarHBondContact OE1-NH1 2.86Å; E50-K54 WeakPolarHBondContact O-CG 3.49Å; E50-K54 PolarHBondContact O-N 2.83Å
51	E	97.7	Very high	95.6	Very high	78 Å²	78	86.7 Å²	86.7	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-68.7	-46.8	172.9	-170.7	-156.9	128.3	0	0	110.1	F47 P48 Q49 R53 K54 R55	F47-E51 WeakPolarHBondContact CD1-OE1 3.45Å; P48-E51 HydrophobicContact CB-CB 4.41Å; P48-E51 WeakPolarHBondContact CD-OE2 3.38Å; P48-E51 WeakPolarHBondContact O-CB 3.27Å; P48-E51 PolarHBondContact O-N 2.82Å; Q49-E51 VanDerWaalsContact C-N 3.28Å; Q49-E51 PolarHBondContact O-N 3.34Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.26Å; E51-K54 PolarHBondContact O-N 2.88Å; E51-K54 VanDerWaalsContact O-N 3.12Å; E51-R55 PolarHBondContact O-N 3Å; E51-R55 IonicContact OE1-NE 3.72Å; E51-R55 IonicContact OE1-NH2 3.03Å
52	L	98.2	Very high	96.9	Very high	4 Å²	4	84.2 Å²	84.2	2%	0.021	43%	0.43	C	S	.	.	H	α-helix	trans	-62	-39.9	179.4	-65.4	-177.6	0	0	0	112.3	F47 P48 Q49 K54 R55 L56 F61 Q65 V90	F47-L52 HydrophobicContact CB-CD1 4.16Å; F47-L52 HydrophobicContact CB-CD2 3.72Å; F47-L52 HydrophobicContact CB-CG 3.83Å; F47-L52 HydrophobicContact CD2-CD2 4.3Å; F47-L52 HydrophobicContact CG-CD2 4.06Å; P48-L52 PolarHBondContact O-N 2.77Å; Q49-L52 PolarHBondContact O-N 3.38Å; L52-K54 VanDerWaalsContact C-N 3.26Å; L52-K54 PolarHBondContact O-N 3.36Å; L52-R55 PolarHBondContact O-N 3.35Å; L52-L56 HydrophobicContact CB-CD1 4.25Å; L52-L56 HydrophobicContact CD2-CD1 4.31Å; L52-L56 VanDerWaalsContact O-CB 3.25Å; L52-L56 WeakPolarHBondContact O-CB 3.38Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.39Å; L52-F61 HydrophobicContact CB-CD2 4.1Å; L52-F61 HydrophobicContact CB-CE2 3.93Å; L52-Q65 HydrophobicContact CD1-CG 4.23Å; L52-V90 HydrophobicContact CD2-CG1 3.88Å
53	R	97.3	Very high	97.4	Very high	116 Å²	116	78.2 Å²	78.2	44%	0.438	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-29	175.6	-74.8	-172.7	-179	115.1	8.5	113.5	Q49 E50 E51 F61	Q49-R53 WeakPolarHBondContact O-CG 3.49Å; Q49-R53 PolarHBondContact O-N 3Å; E50-R53 IonicContact OE1-NH1 2.74Å; E50-R53 PolarHBondContact OE1-NH1 2.86Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.26Å; R53-F61 HydrophobicContact CB-CE2 4.49Å; R53-F61 HydrophobicContact CG-CD2 3.9Å; R53-F61 HydrophobicContact CG-CE2 3.49Å; R53-F61 VanDerWaalsContact CG-CE2 3.49Å; R53-F61 HydrophobicContact CG-CZ 3.84Å
54	K	97.9	Very high	97.6	Very high	182 Å²	182	74.6 Å²	74.6	79%	0.791	38%	0.38	S	S	*	.	H	α-helix	trans	-81.6	-36.6	177.3	-71.2	173.4	-176	179.1	0	112.4	E50 E51 L52	E50-K54 WeakPolarHBondContact O-CG 3.49Å; E50-K54 PolarHBondContact O-N 2.83Å; E51-K54 PolarHBondContact O-N 2.88Å; E51-K54 VanDerWaalsContact O-N 3.12Å; L52-K54 VanDerWaalsContact C-N 3.26Å; L52-K54 PolarHBondContact O-N 3.36Å
55	R	98.1	Very high	97.7	Very high	110 Å²	110	73.6 Å²	73.6	42%	0.415	37%	0.367	S	S	.	.	H	α-helix	trans	-86.4	-37.5	-174.4	-178.4	163.8	59.6	90.1	-8.6	113.4	E51 L52 V89 V90	E51-R55 PolarHBondContact O-N 3Å; E51-R55 IonicContact OE1-NE 3.72Å; E51-R55 IonicContact OE1-NH2 3.03Å; L52-R55 PolarHBondContact O-N 3.35Å; R55-V89 PolarHBondContact NH1-O 3.17Å; R55-V90 VanDerWaalsContact CZ-O 3.23Å; R55-V90 PolarHBondContact NH1-O 3.12Å; R55-V90 PolarHBondContact NH2-O 3.25Å
56	L	98.4	Very high	97.7	Very high	11 Å²	11	76.2 Å²	76.2	6%	0.058	38%	0.376	C	S	.	.	S	Bend	trans	-91.9	146.8	-177.3	-57.8	179.3	0	0	0	110.7	L52 Q60 F61 V89 V90	L52-L56 HydrophobicContact CB-CD1 4.25Å; L52-L56 HydrophobicContact CD2-CD1 4.31Å; L52-L56 VanDerWaalsContact O-CB 3.25Å; L52-L56 WeakPolarHBondContact O-CB 3.38Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.39Å; L56-Q60 HydrophobicContact CB-CB 4.05Å; L56-Q60 HydrophobicContact CD2-CB 4.43Å; L56-F61 HydrophobicContact CB-CB 4.3Å; L56-F61 HydrophobicContact CD1-CD2 4.45Å; L56-V89 HydrophobicContact CD2-CG1 4.43Å; L56-V89 HydrophobicContact CD2-CG2 4.37Å; L56-V90 HydrophobicContact CD1-CG2 4.21Å
57	T	98.4	Very high	97.8	Very high	70 Å²	70	78 Å²	78	43%	0.429	37%	0.366	S	S	.	.			trans	-64.2	157.6	165.8	66.5	0	0	0	0	110.3	K59 Q60 F61	T57-K59 PolarHBondContact O-N 2.88Å; T57-Q60 PolarHBondContact O-N 2.8Å; T57-Q60 VanDerWaalsContact O-N 3.13Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.44Å; T57-Q60 VanDerWaalsContact OG1-CD 3.3Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.44Å; T57-Q60 PolarHBondContact OG1-N 2.83Å; T57-Q60 PolarHBondContact OG1-OE1 2.78Å; T57-Q60 VanDerWaalsContact OG1-OE1 3.14Å; T57-F61 PolarHBondContact O-N 3.41Å
58	P	98.4	Very high	97.9	Very high	115 Å²	115	75.3 Å²	75.3	75%	0.747	36%	0.356	S	S	*	.	H	α-helix	trans	-54.2	-37.8	176.5	-28.2	35.7	0	0	0	113.4	H62	P58-H62 WeakPolarHBondContact O-CB 3.49Å; P58-H62 PolarHBondContact O-N 3.09Å
59	K	98.4	Very high	97.9	Very high	87 Å²	87	75 Å²	75	38%	0.378	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-48.6	177.2	-163.4	-171.3	-158.4	-157.7	0	111.6	T57 F61 H62 V63 E70 T74 A164	T57-K59 PolarHBondContact O-N 2.88Å; K59-F61 VanDerWaalsContact C-N 3.33Å; K59-F61 PolarHBondContact O-N 3.05Å; K59-H62 PolarHBondContact O-N 3.41Å; K59-V63 WeakPolarHBondContact O-CB 3.41Å; K59-V63 WeakPolarHBondContact O-CG2 3.49Å; K59-V63 PolarHBondContact O-N 2.9Å; K59-E70 IonicContact NZ-OE2 2.75Å; K59-E70 PolarHBondContact NZ-OE2 3.23Å; K59-T74 PolarHBondContact NZ-OG1 3.22Å; K59-T74 VanDerWaalsContact NZ-OG1 3.17Å; K59-A164 HydrophobicContact CD-CB 4.31Å; K59-A164 HydrophobicContact CG-CB 4.28Å
60	Q	98.8	Very high	98.1	Very high	46 Å²	46	69.8 Å²	69.8	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-42.4	177.5	-70.8	166.6	-26.5	0	0	111.2	L56 T57 T64 V89 A164	L56-Q60 HydrophobicContact CB-CB 4.05Å; L56-Q60 HydrophobicContact CD2-CB 4.43Å; T57-Q60 PolarHBondContact O-N 2.8Å; T57-Q60 VanDerWaalsContact O-N 3.13Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.44Å; T57-Q60 VanDerWaalsContact OG1-CD 3.3Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.44Å; T57-Q60 PolarHBondContact OG1-N 2.83Å; T57-Q60 PolarHBondContact OG1-OE1 2.78Å; T57-Q60 VanDerWaalsContact OG1-OE1 3.14Å; Q60-T64 WeakPolarHBondContact O-CB 3.48Å; Q60-T64 WeakPolarHBondContact O-CG2 3.25Å; Q60-T64 PolarHBondContact O-N 3.23Å; Q60-T64 PolarHBondContact O-OG1 3.17Å; Q60-V89 HydrophobicContact CG-CG2 4.49Å; Q60-A164 HydrophobicContact CG-CB 4.37Å; Q60-A164 VanDerWaalsContact CG-O 3.28Å; Q60-A164 WeakPolarHBondContact CG-O 3.32Å
61	F	98.6	Very high	98.1	Very high	19 Å²	19	68.5 Å²	68.5	8%	0.083	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-51.5	176.9	-173	-84.4	0	0	0	111.2	L52 R53 L56 T57 K59 V63 T64 Q65 E66	L52-F61 HydrophobicContact CB-CD2 4.1Å; L52-F61 HydrophobicContact CB-CE2 3.93Å; R53-F61 HydrophobicContact CB-CE2 4.49Å; R53-F61 HydrophobicContact CG-CD2 3.9Å; R53-F61 HydrophobicContact CG-CE2 3.49Å; R53-F61 VanDerWaalsContact CG-CE2 3.49Å; R53-F61 HydrophobicContact CG-CZ 3.84Å; L56-F61 HydrophobicContact CB-CB 4.3Å; L56-F61 HydrophobicContact CD1-CD2 4.45Å; T57-F61 PolarHBondContact O-N 3.41Å; K59-F61 VanDerWaalsContact C-N 3.33Å; K59-F61 PolarHBondContact O-N 3.05Å; F61-V63 PolarHBondContact O-N 3Å; F61-T64 PolarHBondContact O-N 2.85Å; F61-Q65 HydrophobicContact CD1-CB 4.35Å; F61-Q65 HydrophobicContact CD1-CG 4.45Å; F61-Q65 HydrophobicContact CD2-CG 3.85Å; F61-Q65 HydrophobicContact CE1-CB 4.13Å; F61-Q65 HydrophobicContact CE1-CG 4.44Å; F61-Q65 HydrophobicContact CE2-CB 4.33Å; F61-Q65 HydrophobicContact CE2-CG 3.83Å; F61-Q65 HydrophobicContact CG-CG 4.16Å; F61-Q65 HydrophobicContact CZ-CB 4.12Å; F61-Q65 HydrophobicContact CZ-CG 4.14Å; F61-Q65 VanDerWaalsContact O-CB 3.27Å; F61-Q65 WeakPolarHBondContact O-CB 3.47Å; F61-Q65 WeakPolarHBondContact O-CG 3.44Å; F61-Q65 PolarHBondContact O-N 3.39Å; F61-E66 HydrophobicContact CD1-CG 4.49Å; F61-E66 HydrophobicContact CE1-CG 4.22Å
62	H	98.6	Very high	98.1	Very high	89 Å²	89	66.5 Å²	66.5	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-57.7	-47.3	179.4	179.1	60.3	0	0	0	112.1	P58 K59 E66 R67 G68	P58-H62 WeakPolarHBondContact O-CB 3.49Å; P58-H62 PolarHBondContact O-N 3.09Å; K59-H62 PolarHBondContact O-N 3.41Å; H62-E66 IonicContact CE1-OE2 3.51Å; H62-E66 IonicContact CG-OE2 3.31Å; H62-E66 IonicContact ND1-OE2 2.74Å; H62-E66 PolarHBondContact ND1-OE2 3.2Å; H62-E66 CarbonylContact O-C 3.52Å; H62-E66 WeakPolarHBondContact O-CA 3.39Å; H62-E66 VanDerWaalsContact O-CB 3.29Å; H62-E66 WeakPolarHBondContact O-CB 3.31Å; H62-E66 PolarHBondContact O-N 3.24Å; H62-E66 VanDerWaalsContact O-N 3.12Å; H62-R67 PolarHBondContact O-N 2.98Å; H62-G68 PolarHBondContact O-N 3.46Å
63	V	98.6	Very high	98	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-53.3	178.8	171.7	0	0	0	0	110.9	K59 F61 R67 G68 H143 N162 A164 S165	K59-V63 WeakPolarHBondContact O-CB 3.41Å; K59-V63 WeakPolarHBondContact O-CG2 3.49Å; K59-V63 PolarHBondContact O-N 2.9Å; F61-V63 PolarHBondContact O-N 3Å; V63-R67 WeakPolarHBondContact O-CA 3.25Å; V63-R67 PolarHBondContact O-N 3.26Å; V63-G68 PolarHBondContact O-N 2.6Å; V63-H143 WeakPolarHBondContact O-CB 3.33Å; V63-H143 PolarHBondContact O-CD2 3.47Å; V63-N162 HydrophobicContact CG1-CB 3.55Å; V63-A164 HydrophobicContact CB-CB 4.27Å; V63-A164 HydrophobicContact CG1-CB 4.48Å; V63-A164 HydrophobicContact CG2-CB 4.05Å; V63-S165 WeakPolarHBondContact CG1-OG 3.2Å
64	T	98.7	Very high	98	Very high	4 Å²	4	69.9 Å²	69.9	3%	0.025	35%	0.353	C	S	.	.	H	α-helix	trans	-78.7	-32.6	-169	59.1	0	0	0	0	114.3	Q60 F61 V89 V90 A142 H143	Q60-T64 WeakPolarHBondContact O-CB 3.48Å; Q60-T64 WeakPolarHBondContact O-CG2 3.25Å; Q60-T64 PolarHBondContact O-N 3.23Å; Q60-T64 PolarHBondContact O-OG1 3.17Å; F61-T64 PolarHBondContact O-N 2.85Å; T64-V89 HydrophobicContact CG2-CG1 3.85Å; T64-V90 HydrophobicContact CG2-CG2 3.9Å; T64-A142 HydrophobicContact CG2-CB 4.45Å; T64-H143 PolarHBondContact O-N 3.26Å
65	Q	98.3	Very high	98	Very high	72 Å²	72	61.7 Å²	61.7	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-102.7	-30.5	-173.8	-50.3	-50.7	-58	0	0	112.7	L52 F61	L52-Q65 HydrophobicContact CD1-CG 4.23Å; F61-Q65 HydrophobicContact CD1-CB 4.35Å; F61-Q65 HydrophobicContact CD1-CG 4.45Å; F61-Q65 HydrophobicContact CD2-CG 3.85Å; F61-Q65 HydrophobicContact CE1-CB 4.13Å; F61-Q65 HydrophobicContact CE1-CG 4.44Å; F61-Q65 HydrophobicContact CE2-CB 4.33Å; F61-Q65 HydrophobicContact CE2-CG 3.83Å; F61-Q65 HydrophobicContact CG-CG 4.16Å; F61-Q65 HydrophobicContact CZ-CB 4.12Å; F61-Q65 HydrophobicContact CZ-CG 4.14Å; F61-Q65 VanDerWaalsContact O-CB 3.27Å; F61-Q65 WeakPolarHBondContact O-CB 3.47Å; F61-Q65 WeakPolarHBondContact O-CG 3.44Å; F61-Q65 PolarHBondContact O-N 3.39Å
66	E	97.6	Very high	98	Very high	111 Å²	111	63.8 Å²	63.8	52%	0.519	34%	0.335	S	S	.	.	H	α-helix	trans	-109.7	8.8	-175.2	-51.7	177	160.7	0	0	112.3	F61 H62 G68	F61-E66 HydrophobicContact CD1-CG 4.49Å; F61-E66 HydrophobicContact CE1-CG 4.22Å; H62-E66 IonicContact CE1-OE2 3.51Å; H62-E66 IonicContact CG-OE2 3.31Å; H62-E66 IonicContact ND1-OE2 2.74Å; H62-E66 PolarHBondContact ND1-OE2 3.2Å; H62-E66 CarbonylContact O-C 3.52Å; H62-E66 WeakPolarHBondContact O-CA 3.39Å; H62-E66 VanDerWaalsContact O-CB 3.29Å; H62-E66 WeakPolarHBondContact O-CB 3.31Å; H62-E66 PolarHBondContact O-N 3.24Å; H62-E66 VanDerWaalsContact O-N 3.12Å; E66-G68 PolarHBondContact O-N 2.95Å
67	R	97.7	Very high	98	Very high	145 Å²	145	63.9 Å²	63.9	55%	0.547	34%	0.335	S	S	.	.			trans	57.4	31.9	-179.8	-56.5	170.1	167.5	-124	-23.5	112.6	H62 V63 E134 H143	H62-R67 PolarHBondContact O-N 2.98Å; V63-R67 WeakPolarHBondContact O-CA 3.25Å; V63-R67 PolarHBondContact O-N 3.26Å; R67-E134 IonicContact CZ-OE1 3.09Å; R67-E134 IonicContact CZ-OE2 3.82Å; R67-E134 IonicContact NE-OE1 3.76Å; R67-E134 IonicContact NH1-OE1 2.57Å; R67-E134 PolarHBondContact NH1-OE1 2.88Å; R67-E134 IonicContact NH1-OE2 3.26Å; R67-E134 PolarHBondContact NH1-OE2 3.11Å; R67-E134 IonicContact NH2-OE1 2.86Å; R67-E134 PolarHBondContact NH2-OE1 2.9Å; R67-E134 IonicContact NH2-OE2 2.98Å; R67-E134 PolarHBondContact NH2-OE2 2.65Å; R67-H143 HydrophobicContact CB-CB 4.46Å; R67-H143 HydrophobicContact CG-CB 4.11Å
68	G	97.4	Very high	98	Very high	7 Å²	7	61 Å²	61	7%	0.072	32%	0.317	C	S	.	.			trans	-67.2	164.3	173.1	0	0	0	0	0	112.1	H62 V63 E66	H62-G68 PolarHBondContact O-N 3.46Å; V63-G68 PolarHBondContact O-N 2.6Å; E66-G68 PolarHBondContact O-N 2.95Å
69	T	97.8	Very high	97.9	Very high	77 Å²	77	61.8 Å²	61.8	47%	0.472	31%	0.306	S	S	.	.			trans	-126.2	130.2	173.4	-54.3	0	0	0	0	108.4	W108 N162	T69-W108 HydrophobicContact CG2-CZ2 4.11Å; T69-N162 WeakPolarHBondContact CA-OD1 3.12Å
70	E	97.4	Very high	97.9	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.047	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-72.4	154.5	175.7	71.6	-177.9	168.8	0	0	111.8	K59 W108 N162 S163	K59-E70 IonicContact NZ-OE2 2.75Å; K59-E70 PolarHBondContact NZ-OE2 3.23Å; E70-W108 WeakPolarHBondContact O-CZ2 3.11Å; E70-W108 PolarHBondContact O-NE1 3.4Å; E70-N162 HydrophobicContact CG-CB 4.42Å; E70-N162 PolarHBondContact N-OD1 3.26Å; E70-S163 WeakPolarHBondContact OE1-CA 3.43Å; E70-S163 WeakPolarHBondContact OE1-CB 3.48Å; E70-S163 PolarHBondContact OE1-N 3.2Å
71	S	97.6	Very high	97.9	Very high	84 Å²	84	64.8 Å²	64.8	59%	0.587	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-62.3	138.5	175.5	-54.4	0	0	0	0	111.4	T74	S71-T74 WeakPolarHBondContact O-CB 3.09Å; S71-T74 PolarHBondContact O-N 3.14Å; S71-T74 PolarHBondContact O-OG1 2.83Å
72	A	97.4	Very high	97.9	Very high	36 Å²	36	68.9 Å²	68.9	30%	0.298	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	142.6	177.9	0	0	0	0	0	111.7	T74 W108	A72-T74 PolarHBondContact O-N 3.27Å; A72-T74 VanDerWaalsContact O-N 3.13Å; A72-W108 HydrophobicContact CB-CE3 4.5Å; A72-W108 HydrophobicContact CB-CH2 3.6Å; A72-W108 HydrophobicContact CB-CZ2 3.82Å; A72-W108 HydrophobicContact CB-CZ3 3.96Å
73	F	97.3	Very high	97.8	Very high	111 Å²	111	70 Å²	70	49%	0.487	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	6.3	177	-46.4	-74.9	0	0	0	115.6	Y79 G107	F73-Y79 WeakPolarHBondContact CD1-OH 3.3Å; F73-G107 WeakPolarHBondContact CA-O 3.39Å; F73-G107 PolarHBondContact N-O 3.42Å
74	T	97	Very high	97.8	Very high	80 Å²	80	70.3 Å²	70.3	49%	0.491	35%	0.35	S	S	.	.			trans	-98.7	-8.6	179.7	71.2	0	0	0	0	114.4	K59 S71 A72	K59-T74 PolarHBondContact NZ-OG1 3.22Å; K59-T74 VanDerWaalsContact NZ-OG1 3.17Å; S71-T74 WeakPolarHBondContact O-CB 3.09Å; S71-T74 PolarHBondContact O-N 3.14Å; S71-T74 PolarHBondContact O-OG1 2.83Å; A72-T74 PolarHBondContact O-N 3.27Å; A72-T74 VanDerWaalsContact O-N 3.13Å
75	G	97.3	Very high	97.8	Very high	10 Å²	10	71.9 Å²	71.9	10%	0.103	36%	0.36	C	S	.	.			trans	-74.5	137.4	-178.1	0	0	0	0	0	112.1	F77 T78	G75-F77 VanDerWaalsContact C-N 3.26Å; G75-F77 PolarHBondContact O-N 2.83Å; G75-T78 WeakPolarHBondContact O-CB 3.31Å; G75-T78 PolarHBondContact O-N 2.98Å; G75-T78 PolarHBondContact O-OG1 3.48Å
76	E	97.9	Very high	97.9	Very high	155 Å²	155	68.4 Å²	68.4	72%	0.724	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.8	176.3	-178	-179.9	168.2	0	0	112	S163	E76-S163 PolarHBondContact N-OG 2.73Å
77	F	98.5	Very high	97.9	Very high	13 Å²	13	64.6 Å²	64.6	6%	0.057	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	4.2	-174.9	-57.4	-51.2	0	0	0	114.4	G75 Y79 H80 Y86 K101 P109 S163 L166 F168	G75-F77 VanDerWaalsContact C-N 3.26Å; G75-F77 PolarHBondContact O-N 2.83Å; F77-Y79 PolarHBondContact O-N 2.89Å; F77-H80 HydrophobicContact CB-CB 4.29Å; F77-H80 HydrophobicContact CD1-CB 3.97Å; F77-H80 AromaticContact CD1-CD2 3.92Å; F77-H80 AromaticContact CD1-CG 3.87Å; F77-Y86 HydrophobicContact CB-CE1 3.91Å; F77-Y86 AromaticContact CD1-CE1 3.97Å; F77-Y86 HydrophobicContact CD1-CE1 3.97Å; F77-Y86 HydrophobicContact CD2-CD1 4.5Å; F77-Y86 HydrophobicContact CD2-CE1 4.35Å; F77-Y86 HydrophobicContact CG-CD1 4.39Å; F77-Y86 AromaticContact CG-CE1 3.81Å; F77-Y86 HydrophobicContact CG-CE1 3.81Å; F77-K101 WeakPolarHBondContact O-CE 3.34Å; F77-K101 PolarHBondContact O-NZ 3.09Å; F77-K101 VanDerWaalsContact O-NZ 3.09Å; F77-P109 HydrophobicContact CB-CG 4.05Å; F77-S163 WeakPolarHBondContact CB-OG 3.1Å; F77-S163 VanDerWaalsContact CD2-OG 3.22Å; F77-S163 WeakPolarHBondContact CD2-OG 3.25Å; F77-S163 PolarHBondContact N-OG 3.06Å; F77-L166 HydrophobicContact CD2-CB 3.94Å; F77-L166 HydrophobicContact CE2-CB 4.22Å; F77-F168 HydrophobicContact CD1-CB 4.43Å; F77-F168 HydrophobicContact CE1-CB 3.67Å; F77-F168 HydrophobicContact CE1-CG 4.47Å; F77-F168 HydrophobicContact CE2-CB 4.48Å; F77-F168 HydrophobicContact CZ-CB 3.7Å
78	T	98.1	Very high	98	Very high	8 Å²	8	57.7 Å²	57.7	5%	0.049	30%	0.3	C	S	.	.	S	Bend	trans	-57.1	-54	179.6	-62	0	0	0	0	110.1	G75 K101 G107	G75-T78 WeakPolarHBondContact O-CB 3.31Å; G75-T78 PolarHBondContact O-N 2.98Å; G75-T78 PolarHBondContact O-OG1 3.48Å; T78-K101 PolarHBondContact O-NZ 2.91Å; T78-G107 WeakPolarHBondContact CG2-O 3.46Å; T78-G107 PolarHBondContact OG1-O 2.9Å
79	Y	98	Very high	98	Very high	132 Å²	132	58.4 Å²	58.4	52%	0.518	30%	0.303	S	S	.	.	S	Bend	trans	-102.9	6	-178.1	-58.8	-66.8	0	0	0	114.5	F73 F77	F73-Y79 WeakPolarHBondContact CD1-OH 3.3Å; F77-Y79 PolarHBondContact O-N 2.89Å
80	H	98.2	Very high	98.1	Very high	34 Å²	34	55 Å²	55	16%	0.157	28%	0.282	C	S	.	.			trans	-64.8	137.9	177.9	-177.1	-82.6	0	0	0	111.5	F77 D82 Y86 K101 F168	F77-H80 HydrophobicContact CB-CB 4.29Å; F77-H80 HydrophobicContact CD1-CB 3.97Å; F77-H80 AromaticContact CD1-CD2 3.92Å; F77-H80 AromaticContact CD1-CG 3.87Å; H80-D82 VanDerWaalsContact CE1-CB 3.47Å; H80-D82 WeakPolarHBondContact CE1-CB 3.44Å; H80-D82 PolarHBondContact ND1-N 2.89Å; H80-D82 IonicContact NE2-OD2 3.44Å; H80-Y86 AromaticContact ND1-CZ 3.87Å; H80-Y86 PolarHBondContact ND1-OH 3.13Å; H80-K101 WeakPolarHBondContact O-CE 3.47Å; H80-K101 PolarHBondContact O-NZ 3.18Å; H80-F168 AromaticContact CE1-CD1 3.63Å; H80-F168 AromaticContact CE1-CD2 3.89Å; H80-F168 AromaticContact CE1-CE1 3.44Å; H80-F168 VanDerWaalsContact CE1-CE1 3.44Å; H80-F168 WeakPolarHBondContact CE1-CE1 3.49Å; H80-F168 AromaticContact CE1-CE2 3.7Å; H80-F168 AromaticContact CE1-CG 3.85Å; H80-F168 AromaticContact CE1-CZ 3.48Å; H80-F168 VanDerWaalsContact CE1-CZ 3.48Å; H80-F168 WeakPolarHBondContact CE1-CZ 3.48Å; H80-F168 AromaticContact NE2-CD1 3.77Å; H80-F168 AromaticContact NE2-CE1 3.82Å
81	K	97.7	Very high	98.2	Very high	163 Å²	163	56.2 Å²	56.2	71%	0.709	29%	0.291	S	S	*	.			trans	-135.6	7.4	-175.2	-65.7	-176.7	-177.7	-177.7	0	113.9
82	D	98.2	Very high	98.2	Very high	104 Å²	104	54.2 Å²	54.2	56%	0.556	28%	0.284	S	S	*	.			trans	-69	146.4	179.2	-54.7	-10.5	0	0	0	109.9	H80 F168	H80-D82 VanDerWaalsContact CE1-CB 3.47Å; H80-D82 WeakPolarHBondContact CE1-CB 3.44Å; H80-D82 PolarHBondContact ND1-N 2.89Å; H80-D82 IonicContact NE2-OD2 3.44Å; D82-F168 HydrophobicContact CB-CE1 4.1Å; D82-F168 HydrophobicContact CB-CZ 4.12Å; D82-F168 VanDerWaalsContact O-CZ 3.3Å; D82-F168 WeakPolarHBondContact O-CZ 3.19Å
83	E	98.3	Very high	98.3	Very high	113 Å²	113	53.4 Å²	53.4	53%	0.528	28%	0.277	S	S	.	.	S	Bend	trans	-73.9	131.8	-179	-62.5	-58.5	161.7	0	0	111.3	S98 F168 A170 A171	E83-S98 WeakPolarHBondContact CA-OG 3.44Å; E83-S98 WeakPolarHBondContact OE2-CB 3.19Å; E83-S98 PolarHBondContact OE2-OG 3.3Å; E83-F168 WeakPolarHBondContact O-CZ 3.23Å; E83-A170 WeakPolarHBondContact O-CA 3.22Å; E83-A171 HydrophobicContact CB-CB 4.32Å; E83-A171 PolarHBondContact O-N 3.16Å
84	G	98.3	Very high	98.3	Very high	7 Å²	7	50.3 Å²	50.3	7%	0.072	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-164.6	-177.8	0	0	0	0	0	114.2	S98 Q169	G84-S98 PolarHBondContact N-OG 3.18Å; G84-S98 WeakPolarHBondContact O-CB 3.46Å; G84-S98 PolarHBondContact O-N 3.15Å; G84-S98 PolarHBondContact O-OG 3.27Å; G84-Q169 CarbonylContact C-O 3.52Å; G84-Q169 VanDerWaalsContact CA-O 3.25Å; G84-Q169 WeakPolarHBondContact CA-O 3.44Å
85	T	98.7	Very high	98.4	Very high	37 Å²	37	46.5 Å²	46.5	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.6	-177.4	-59.3	0	0	0	0	110.9	H87 P94 L115 F168 Q169	T85-H87 WeakPolarHBondContact CB-NE2 3.44Å; T85-H87 VanDerWaalsContact CG2-NE2 3.35Å; T85-H87 WeakPolarHBondContact CG2-NE2 3.46Å; T85-H87 PolarHBondContact O-CD2 3.38Å; T85-P94 HydrophobicContact CG2-CB 3.92Å; T85-L115 HydrophobicContact CG2-CD2 4.01Å; T85-F168 WeakPolarHBondContact O-CD2 3.25Å; T85-Q169 PolarHBondContact N-O 3.33Å; T85-Q169 PolarHBondContact O-N 2.87Å
86	Y	98.8	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.2	170.4	-64.3	-89.8	0	0	0	110	F77 H80 L95 F96 K101 F111 L166 A167 F168	F77-Y86 HydrophobicContact CB-CE1 3.91Å; F77-Y86 AromaticContact CD1-CE1 3.97Å; F77-Y86 HydrophobicContact CD1-CE1 3.97Å; F77-Y86 HydrophobicContact CD2-CD1 4.5Å; F77-Y86 HydrophobicContact CD2-CE1 4.35Å; F77-Y86 HydrophobicContact CG-CD1 4.39Å; F77-Y86 AromaticContact CG-CE1 3.81Å; F77-Y86 HydrophobicContact CG-CE1 3.81Å; H80-Y86 AromaticContact ND1-CZ 3.87Å; H80-Y86 PolarHBondContact ND1-OH 3.13Å; Y86-L95 WeakPolarHBondContact O-CB 3.46Å; Y86-L95 PolarHBondContact O-N 2.88Å; Y86-F96 PolarHBondContact N-O 2.85Å; Y86-F96 PolarHBondContact O-N 2.82Å; Y86-K101 HydrophobicContact CE2-CD 3.88Å; Y86-K101 VanDerWaalsContact OH-CD 3.23Å; Y86-K101 WeakPolarHBondContact OH-CD 3.3Å; Y86-K101 WeakPolarHBondContact OH-CE 3.47Å; Y86-F111 HydrophobicContact CD1-CZ 4.22Å; Y86-F111 AromaticContact CD2-CE1 3.45Å; Y86-F111 HydrophobicContact CD2-CE1 3.45Å; Y86-F111 VanDerWaalsContact CD2-CE1 3.45Å; Y86-F111 AromaticContact CD2-CZ 3.6Å; Y86-F111 HydrophobicContact CD2-CZ 3.6Å; Y86-F111 HydrophobicContact CE1-CZ 4.4Å; Y86-F111 AromaticContact CE2-CE1 3.58Å; Y86-F111 HydrophobicContact CE2-CE1 3.58Å; Y86-F111 AromaticContact CE2-CZ 3.79Å; Y86-F111 HydrophobicContact CE2-CZ 3.79Å; Y86-F111 HydrophobicContact CG-CE1 4.13Å; Y86-F111 AromaticContact CG-CZ 3.81Å; Y86-F111 HydrophobicContact CG-CZ 3.81Å; Y86-L166 HydrophobicContact CD1-CB 4.41Å; Y86-L166 HydrophobicContact CD1-CD1 4.01Å; Y86-L166 HydrophobicContact CG-CD1 4.43Å; Y86-A167 CarbonylContact C-O 3.5Å; Y86-A167 WeakPolarHBondContact CA-O 3.47Å; Y86-F168 HydrophobicContact CD1-CB 4.38Å; Y86-F168 AromaticContact CD1-CD2 3.83Å; Y86-F168 HydrophobicContact CD1-CD2 3.83Å; Y86-F168 HydrophobicContact CD2-CD2 4.2Å; Y86-F168 HydrophobicContact CD2-CE2 4.43Å; Y86-F168 HydrophobicContact CE1-CB 4.38Å; Y86-F168 AromaticContact CE1-CD2 3.61Å; Y86-F168 HydrophobicContact CE1-CD2 3.61Å; Y86-F168 HydrophobicContact CE1-CE2 4.33Å; Y86-F168 HydrophobicContact CE1-CG 4.33Å; Y86-F168 HydrophobicContact CE2-CD2 4.01Å; Y86-F168 HydrophobicContact CE2-CE2 4.02Å; Y86-F168 HydrophobicContact CG-CD2 4.13Å; Y86-F168 AromaticContact CZ-CD2 3.72Å; Y86-F168 AromaticContact CZ-CE2 3.98Å
87	H	98.9	Very high	98.5	Very high	30 Å²	30	39.5 Å²	39.5	14%	0.139	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	155.7	-177.5	-66.1	-107.3	0	0	0	110.9	T85 V89 G92 A93 L166 A167	T85-H87 WeakPolarHBondContact CB-NE2 3.44Å; T85-H87 VanDerWaalsContact CG2-NE2 3.35Å; T85-H87 WeakPolarHBondContact CG2-NE2 3.46Å; T85-H87 PolarHBondContact O-CD2 3.38Å; H87-V89 PolarHBondContact O-N 3.17Å; H87-G92 PolarHBondContact ND1-O 3.39Å; H87-A93 CarbonylContact C-O 3.42Å; H87-A93 VanDerWaalsContact CA-O 3.31Å; H87-A93 WeakPolarHBondContact CA-O 3.28Å; H87-L166 CarbonylContact O-C 3.53Å; H87-L166 VanDerWaalsContact O-CA 3.3Å; H87-L166 WeakPolarHBondContact O-CA 3.15Å; H87-A167 PolarHBondContact N-O 2.92Å; H87-A167 PolarHBondContact O-N 2.86Å
88	C	98.9	Very high	98.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	121.9	168.2	-178.8	0	0	0	0	109.7	V90 G92 A93 L95 C137	C88-V90 PolarHBondContact O-N 2.81Å; C88-V90 VanDerWaalsContact O-N 3.09Å; C88-G92 VanDerWaalsContact O-CA 3.27Å; C88-G92 WeakPolarHBondContact O-CA 3.27Å; C88-G92 PolarHBondContact O-N 3.32Å; C88-A93 PolarHBondContact N-O 2.92Å; C88-L95 HydrophobicContact CB-CD1 3.84Å; C88-L95 HydrophobicContact CB-CG 4.25Å; C88-C137 HydrophobicContact CB-CB 4.35Å
89	V	98.8	Very high	98.5	Very high	22 Å²	22	45.1 Å²	45.1	13%	0.133	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.9	179.2	74.2	0	0	0	0	113	R55 L56 Q60 T64 H87 S165	R55-V89 PolarHBondContact NH1-O 3.17Å; L56-V89 HydrophobicContact CD2-CG1 4.43Å; L56-V89 HydrophobicContact CD2-CG2 4.37Å; Q60-V89 HydrophobicContact CG-CG2 4.49Å; T64-V89 HydrophobicContact CG2-CG1 3.85Å; H87-V89 PolarHBondContact O-N 3.17Å; V89-S165 WeakPolarHBondContact CG1-O 3.33Å; V89-S165 PolarHBondContact N-O 3.35Å
90	V	98.8	Very high	98.5	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-55.9	-177.1	-177.4	0	0	0	0	111.5	F47 L52 R55 L56 T64 C88 A142	F47-V90 HydrophobicContact CD2-CG1 4.05Å; F47-V90 HydrophobicContact CE2-CG1 4.18Å; L52-V90 HydrophobicContact CD2-CG1 3.88Å; R55-V90 VanDerWaalsContact CZ-O 3.23Å; R55-V90 PolarHBondContact NH1-O 3.12Å; R55-V90 PolarHBondContact NH2-O 3.25Å; L56-V90 HydrophobicContact CD1-CG2 4.21Å; T64-V90 HydrophobicContact CG2-CG2 3.9Å; C88-V90 PolarHBondContact O-N 2.81Å; C88-V90 VanDerWaalsContact O-N 3.09Å; V90-A142 HydrophobicContact CB-CB 4.1Å; V90-A142 HydrophobicContact CG2-CB 3.66Å
91	C	98.6	Very high	98.5	Very high	36 Å²	36	39.2 Å²	39.2	24%	0.243	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-5.9	-173.2	67.8	0	0	0	0	114.9	F47 A93 C137 C140	F47-C91 HydrophobicContact CE2-CB 3.88Å; F47-C91 HydrophobicContact CZ-CB 4.21Å; C91-A93 PolarHBondContact O-N 3.27Å; C91-A93 VanDerWaalsContact SG-CB 3.51Å; C91-C137 VanDerWaalsContact SG-SG 3.67Å; C91-C140 HydrophobicContact CB-CB 3.87Å
92	G	98.5	Very high	98.5	Very high	43 Å²	43	33.9 Å²	33.9	44%	0.443	20%	0.197	S	C	.	.			trans	76.9	2.1	-177.5	0	0	0	0	0	115.1	H87 C88	H87-G92 PolarHBondContact ND1-O 3.39Å; C88-G92 VanDerWaalsContact O-CA 3.27Å; C88-G92 WeakPolarHBondContact O-CA 3.27Å; C88-G92 PolarHBondContact O-N 3.32Å
93	A	98.6	Very high	98.5	Very high	18 Å²	18	33.7 Å²	33.7	15%	0.149	20%	0.197	C	C	.	.			trans	-62.2	136.4	178	0	0	0	0	0	111.1	H87 C88 C91 Q139	H87-A93 CarbonylContact C-O 3.42Å; H87-A93 VanDerWaalsContact CA-O 3.31Å; H87-A93 WeakPolarHBondContact CA-O 3.28Å; C88-A93 PolarHBondContact N-O 2.92Å; C91-A93 PolarHBondContact O-N 3.27Å; C91-A93 VanDerWaalsContact SG-CB 3.51Å; A93-Q139 HydrophobicContact CB-CB 4.1Å; A93-Q139 HydrophobicContact CB-CG 3.71Å
94	P	98.6	Very high	98.5	Very high	46 Å²	46	30.4 Å²	30.4	30%	0.299	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.8	-179.5	32.6	-36.6	0	0	0	111.1	T85 L115 S119	T85-P94 HydrophobicContact CG2-CB 3.92Å; P94-L115 HydrophobicContact CB-CD2 3.58Å; P94-L115 HydrophobicContact CG-CD2 4.18Å; P94-S119 PolarHBondContact O-OG 3.09Å
95	L	98.8	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-50.1	-171.6	-61.7	175.7	0	0	0	113.1	Y86 C88 L115 S119 V120 L144 L166	Y86-L95 WeakPolarHBondContact O-CB 3.46Å; Y86-L95 PolarHBondContact O-N 2.88Å; C88-L95 HydrophobicContact CB-CD1 3.84Å; C88-L95 HydrophobicContact CB-CG 4.25Å; L95-L115 WeakPolarHBondContact O-CB 3.34Å; L95-L115 PolarHBondContact O-N 3.07Å; L95-S119 WeakPolarHBondContact CD2-O 3.3Å; L95-V120 HydrophobicContact CD2-CG2 4.24Å; L95-L144 HydrophobicContact CD1-CD1 3.9Å; L95-L144 HydrophobicContact CD1-CD2 3.8Å; L95-L144 HydrophobicContact CD2-CD1 4.29Å; L95-L166 HydrophobicContact CD1-CD2 3.85Å
96	F	98.8	Very high	98.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149	-172.4	-51.1	-86.6	0	0	0	111.4	Y86 F111 L114 V120 Y159 I161 L166	Y86-F96 PolarHBondContact N-O 2.85Å; Y86-F96 PolarHBondContact O-N 2.82Å; F96-F111 HydrophobicContact CB-CB 4.49Å; F96-F111 HydrophobicContact CB-CD1 3.52Å; F96-F111 HydrophobicContact CB-CD2 4.25Å; F96-F111 HydrophobicContact CB-CE1 3.65Å; F96-F111 HydrophobicContact CB-CE2 4.38Å; F96-F111 HydrophobicContact CB-CG 3.84Å; F96-F111 HydrophobicContact CB-CZ 4.09Å; F96-F111 HydrophobicContact CD1-CB 3.6Å; F96-F111 HydrophobicContact CD1-CD1 4.2Å; F96-F111 AromaticContact CD1-CD2 3.9Å; F96-F111 HydrophobicContact CD1-CD2 3.9Å; F96-F111 AromaticContact CD1-CG 3.64Å; F96-F111 HydrophobicContact CD1-CG 3.64Å; F96-F111 HydrophobicContact CD2-CD2 4.12Å; F96-F111 HydrophobicContact CD2-CE2 4.14Å; F96-F111 HydrophobicContact CD2-CG 4.48Å; F96-F111 HydrophobicContact CE1-CB 4.08Å; F96-F111 HydrophobicContact CE1-CD2 4.24Å; F96-F111 HydrophobicContact CE1-CG 4.3Å; F96-F111 HydrophobicContact CE2-CD2 4.49Å; F96-F111 HydrophobicContact CG-CB 4.23Å; F96-F111 AromaticContact CG-CD1 3.98Å; F96-F111 HydrophobicContact CG-CD1 3.98Å; F96-F111 AromaticContact CG-CD2 3.84Å; F96-F111 HydrophobicContact CG-CD2 3.84Å; F96-F111 HydrophobicContact CG-CE1 4.28Å; F96-F111 HydrophobicContact CG-CE2 4.16Å; F96-F111 AromaticContact CG-CG 3.74Å; F96-F111 HydrophobicContact CG-CG 3.74Å; F96-F111 HydrophobicContact CG-CZ 4.37Å; F96-L114 HydrophobicContact CD1-CD2 4Å; F96-L114 HydrophobicContact CE1-CD2 3.39Å; F96-L114 HydrophobicContact CZ-CD2 4.03Å; F96-V120 HydrophobicContact CZ-CG2 4.28Å; F96-Y159 HydrophobicContact CE1-CD1 4.11Å; F96-Y159 HydrophobicContact CE1-CD2 4.45Å; F96-Y159 AromaticContact CE1-CG 3.85Å; F96-Y159 HydrophobicContact CE1-CG 3.85Å; F96-Y159 HydrophobicContact CZ-CD1 4.47Å; F96-Y159 HydrophobicContact CZ-CG 4.5Å; F96-I161 HydrophobicContact CE1-CG1 4.39Å; F96-I161 HydrophobicContact CE2-CD1 4.26Å; F96-I161 HydrophobicContact CE2-CG1 3.84Å; F96-I161 HydrophobicContact CE2-CG2 4.37Å; F96-I161 HydrophobicContact CZ-CD1 3.78Å; F96-I161 HydrophobicContact CZ-CG1 3.63Å; F96-L166 HydrophobicContact CD2-CD2 4.25Å; F96-L166 HydrophobicContact CE2-CD2 4.31Å
97	S	98.3	Very high	98.3	Very high	19 Å²	19	32.4 Å²	32.4	13%	0.133	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	152.7	169	-176.5	0	0	0	0	110.6	D99 S100	S97-D99 PolarHBondContact O-N 3.17Å; S97-D99 PolarHBondContact OG-N 3.04Å; S97-D99 PolarHBondContact OG-OD2 2.85Å; S97-S100 PolarHBondContact O-N 3.4Å; S97-S100 PolarHBondContact O-OG 3.28Å
98	S	98.4	Very high	98.3	Very high	16 Å²	16	34 Å²	34	11%	0.112	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-56.7	-34.6	164.7	51.4	0	0	0	0	111.9	E83 G84 S100 K101	E83-S98 WeakPolarHBondContact CA-OG 3.44Å; E83-S98 WeakPolarHBondContact OE2-CB 3.19Å; E83-S98 PolarHBondContact OE2-OG 3.3Å; G84-S98 PolarHBondContact N-OG 3.18Å; G84-S98 WeakPolarHBondContact O-CB 3.46Å; G84-S98 PolarHBondContact O-N 3.15Å; G84-S98 PolarHBondContact O-OG 3.27Å; S98-S100 PolarHBondContact O-N 2.95Å; S98-K101 WeakPolarHBondContact O-CB 3.42Å; S98-K101 PolarHBondContact O-N 2.87Å
99	D	98.1	Very high	98.3	Very high	123 Å²	123	34 Å²	34	66%	0.658	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-59.1	-31.6	178.5	-61.1	-50.6	0	0	0	113.1	S97 K101 F112	S97-D99 PolarHBondContact O-N 3.17Å; S97-D99 PolarHBondContact OG-N 3.04Å; S97-D99 PolarHBondContact OG-OD2 2.85Å; D99-K101 VanDerWaalsContact C-N 3.34Å; D99-F112 WeakPolarHBondContact O-CE1 3.29Å
100	S	98.1	Very high	98.3	Very high	8 Å²	8	33 Å²	33	6%	0.056	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-88.1	-5.8	179.1	77.5	0	0	0	0	113.1	S97 S98 F111 F112 D113	S97-S100 PolarHBondContact O-N 3.4Å; S97-S100 PolarHBondContact O-OG 3.28Å; S98-S100 PolarHBondContact O-N 2.95Å; S100-F111 CarbonylContact O-C 3.55Å; S100-F111 VanDerWaalsContact O-CA 3.24Å; S100-F111 WeakPolarHBondContact O-CA 3.5Å; S100-F112 VanDerWaalsContact CA-CE1 3.4Å; S100-F112 WeakPolarHBondContact O-CD1 3.33Å; S100-F112 PolarHBondContact O-N 2.97Å; S100-D113 WeakPolarHBondContact CB-O 3.26Å; S100-D113 PolarHBondContact OG-O 2.88Å
101	K	98.6	Very high	98.3	Very high	34 Å²	34	32.8 Å²	32.8	15%	0.148	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.4	-178.3	-164.3	172.5	-175.8	-72.9	0	110.9	F77 T78 H80 Y86 S98 D99 S110 F111	F77-K101 WeakPolarHBondContact O-CE 3.34Å; F77-K101 PolarHBondContact O-NZ 3.09Å; F77-K101 VanDerWaalsContact O-NZ 3.09Å; T78-K101 PolarHBondContact O-NZ 2.91Å; H80-K101 WeakPolarHBondContact O-CE 3.47Å; H80-K101 PolarHBondContact O-NZ 3.18Å; Y86-K101 HydrophobicContact CE2-CD 3.88Å; Y86-K101 VanDerWaalsContact OH-CD 3.23Å; Y86-K101 WeakPolarHBondContact OH-CD 3.3Å; Y86-K101 WeakPolarHBondContact OH-CE 3.47Å; S98-K101 WeakPolarHBondContact O-CB 3.42Å; S98-K101 PolarHBondContact O-N 2.87Å; D99-K101 VanDerWaalsContact C-N 3.34Å; K101-S110 WeakPolarHBondContact CA-O 3.4Å; K101-F111 HydrophobicContact CB-CD1 3.71Å; K101-F111 HydrophobicContact CB-CE1 3.62Å; K101-F111 HydrophobicContact CD-CE1 3.84Å; K101-F111 HydrophobicContact CD-CZ 4.05Å; K101-F111 HydrophobicContact CG-CD1 4.03Å; K101-F111 HydrophobicContact CG-CE1 3.68Å; K101-F111 HydrophobicContact CG-CZ 4.17Å
102	F	98.6	Very high	98.3	Very high	50 Å²	50	33.3 Å²	33.3	22%	0.219	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.6	173.1	71.3	-80	0	0	0	111.4	S110 F112 P152 R158	F102-S110 PolarHBondContact N-O 2.64Å; F102-F112 HydrophobicContact CD1-CB 4.14Å; F102-F112 HydrophobicContact CD1-CD1 4.29Å; F102-F112 HydrophobicContact CE1-CB 3.94Å; F102-P152 HydrophobicContact CD1-CG 4.13Å; F102-P152 HydrophobicContact CD2-CG 4.39Å; F102-P152 HydrophobicContact CE1-CG 4.05Å; F102-P152 HydrophobicContact CE2-CG 4.31Å; F102-P152 HydrophobicContact CG-CG 4.29Å; F102-P152 HydrophobicContact CZ-CG 4.13Å; F102-R158 HydrophobicContact CE1-CG 4.23Å; F102-R158 HydrophobicContact CZ-CB 4.07Å; F102-R158 HydrophobicContact CZ-CG 3.64Å
103	D	98	Very high	98.3	Very high	101 Å²	101	34.5 Å²	34.5	54%	0.54	20%	0.201	S	C	.	.			trans	-89.7	110.6	172.8	-170.4	-5.4	0	0	0	109.7	G105	D103-G105 PolarHBondContact OD1-N 3.41Å
104	S	97.4	Very high	98.2	Very high	43 Å²	43	34.7 Å²	34.7	30%	0.301	20%	0.199	S	C	.	.			trans	-90.5	-8.4	176.7	62.2	0	0	0	0	113.4	S106 S110	S104-S106 PolarHBondContact O-N 2.98Å; S104-S106 VanDerWaalsContact OG-CB 3.32Å; S104-S106 WeakPolarHBondContact OG-CB 3.5Å; S104-S106 PolarHBondContact OG-N 2.95Å; S104-S106 PolarHBondContact OG-OG 2.62Å; S104-S110 WeakPolarHBondContact CB-OG 3.44Å; S104-S110 PolarHBondContact OG-OG 3.33Å
105	G	97.6	Very high	98.2	Very high	51 Å²	51	35.8 Å²	35.8	53%	0.526	20%	0.202	S	C	.	.	S	Bend	trans	68	4	-169.3	0	0	0	0	0	114.9	D103 G107	D103-G105 PolarHBondContact OD1-N 3.41Å; G105-G107 VanDerWaalsContact C-N 3.33Å; G105-G107 PolarHBondContact O-N 3.23Å
106	S	96.1	Very high	98.1	Very high	33 Å²	33	41 Å²	41	23%	0.231	23%	0.225	C	C	.	.	S	Bend	trans	-71.7	-25.2	-176.7	64.3	0	0	0	0	114.1	S104 W108	S104-S106 PolarHBondContact O-N 2.98Å; S104-S106 VanDerWaalsContact OG-CB 3.32Å; S104-S106 WeakPolarHBondContact OG-CB 3.5Å; S104-S106 PolarHBondContact OG-N 2.95Å; S104-S106 PolarHBondContact OG-OG 2.62Å; S106-W108 WeakPolarHBondContact O-CZ3 3.08Å; S106-W108 PolarHBondContact OG-N 2.77Å; S106-W108 PolarHBondContact OG-O 3.5Å
107	G	97.9	Very high	97.9	Very high	3 Å²	3	49.5 Å²	49.5	3%	0.031	27%	0.265	C	S	.	.	S	Bend	trans	97.2	-0.6	-174.3	0	0	0	0	0	115.4	F73 T78 G105	F73-G107 WeakPolarHBondContact CA-O 3.39Å; F73-G107 PolarHBondContact N-O 3.42Å; T78-G107 WeakPolarHBondContact CG2-O 3.46Å; T78-G107 PolarHBondContact OG1-O 2.9Å; G105-G107 VanDerWaalsContact C-N 3.33Å; G105-G107 PolarHBondContact O-N 3.23Å
108	W	98.8	Very high	97.8	Very high	63 Å²	63	54.3 Å²	54.3	24%	0.239	29%	0.285	C	S	.	.	S	Bend	trans	-123.7	153.6	171.5	-64.5	-90.1	0	0	0	111.2	T69 E70 A72 S106 S110	T69-W108 HydrophobicContact CG2-CZ2 4.11Å; E70-W108 WeakPolarHBondContact O-CZ2 3.11Å; E70-W108 PolarHBondContact O-NE1 3.4Å; A72-W108 HydrophobicContact CB-CE3 4.5Å; A72-W108 HydrophobicContact CB-CH2 3.6Å; A72-W108 HydrophobicContact CB-CZ2 3.82Å; A72-W108 HydrophobicContact CB-CZ3 3.96Å; S106-W108 WeakPolarHBondContact O-CZ3 3.08Å; S106-W108 PolarHBondContact OG-N 2.77Å; S106-W108 PolarHBondContact OG-O 3.5Å; W108-S110 PolarHBondContact O-N 2.97Å; W108-S110 PolarHBondContact O-OG 2.86Å
109	P	98.6	Very high	97.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.			trans	-44.6	130.9	167.6	-24.3	26.4	0	0	0	111.8	F77 F111 I161 L166	F77-P109 HydrophobicContact CB-CG 4.05Å; P109-F111 HydrophobicContact CB-CE2 3.86Å; P109-F111 HydrophobicContact CB-CZ 4.4Å; P109-I161 WeakPolarHBondContact CD-O 3.06Å; P109-I161 WeakPolarHBondContact CG-O 3.42Å; P109-I161 PolarHBondContact O-N 3.42Å; P109-L166 HydrophobicContact CB-CD1 4.46Å
110	S	98.8	Very high	97.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.4	-178.4	-64	0	0	0	0	110.4	K101 F102 S104 W108 Y159	K101-S110 WeakPolarHBondContact CA-O 3.4Å; F102-S110 PolarHBondContact N-O 2.64Å; S104-S110 WeakPolarHBondContact CB-OG 3.44Å; S104-S110 PolarHBondContact OG-OG 3.33Å; W108-S110 PolarHBondContact O-N 2.97Å; W108-S110 PolarHBondContact O-OG 2.86Å; S110-Y159 WeakPolarHBondContact CA-O 3.24Å
111	F	98.8	Very high	97.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.1	178.1	-55.5	-91.8	0	0	0	109.5	Y86 F96 S100 K101 P109 Y159 I161 L166	Y86-F111 HydrophobicContact CD1-CZ 4.22Å; Y86-F111 AromaticContact CD2-CE1 3.45Å; Y86-F111 HydrophobicContact CD2-CE1 3.45Å; Y86-F111 VanDerWaalsContact CD2-CE1 3.45Å; Y86-F111 AromaticContact CD2-CZ 3.6Å; Y86-F111 HydrophobicContact CD2-CZ 3.6Å; Y86-F111 HydrophobicContact CE1-CZ 4.4Å; Y86-F111 AromaticContact CE2-CE1 3.58Å; Y86-F111 HydrophobicContact CE2-CE1 3.58Å; Y86-F111 AromaticContact CE2-CZ 3.79Å; Y86-F111 HydrophobicContact CE2-CZ 3.79Å; Y86-F111 HydrophobicContact CG-CE1 4.13Å; Y86-F111 AromaticContact CG-CZ 3.81Å; Y86-F111 HydrophobicContact CG-CZ 3.81Å; F96-F111 HydrophobicContact CB-CB 4.49Å; F96-F111 HydrophobicContact CB-CD1 3.52Å; F96-F111 HydrophobicContact CB-CD2 4.25Å; F96-F111 HydrophobicContact CB-CE1 3.65Å; F96-F111 HydrophobicContact CB-CE2 4.38Å; F96-F111 HydrophobicContact CB-CG 3.84Å; F96-F111 HydrophobicContact CB-CZ 4.09Å; F96-F111 HydrophobicContact CD1-CB 3.6Å; F96-F111 HydrophobicContact CD1-CD1 4.2Å; F96-F111 AromaticContact CD1-CD2 3.9Å; F96-F111 HydrophobicContact CD1-CD2 3.9Å; F96-F111 AromaticContact CD1-CG 3.64Å; F96-F111 HydrophobicContact CD1-CG 3.64Å; F96-F111 HydrophobicContact CD2-CD2 4.12Å; F96-F111 HydrophobicContact CD2-CE2 4.14Å; F96-F111 HydrophobicContact CD2-CG 4.48Å; F96-F111 HydrophobicContact CE1-CB 4.08Å; F96-F111 HydrophobicContact CE1-CD2 4.24Å; F96-F111 HydrophobicContact CE1-CG 4.3Å; F96-F111 HydrophobicContact CE2-CD2 4.49Å; F96-F111 HydrophobicContact CG-CB 4.23Å; F96-F111 AromaticContact CG-CD1 3.98Å; F96-F111 HydrophobicContact CG-CD1 3.98Å; F96-F111 AromaticContact CG-CD2 3.84Å; F96-F111 HydrophobicContact CG-CD2 3.84Å; F96-F111 HydrophobicContact CG-CE1 4.28Å; F96-F111 HydrophobicContact CG-CE2 4.16Å; F96-F111 AromaticContact CG-CG 3.74Å; F96-F111 HydrophobicContact CG-CG 3.74Å; F96-F111 HydrophobicContact CG-CZ 4.37Å; S100-F111 CarbonylContact O-C 3.55Å; S100-F111 VanDerWaalsContact O-CA 3.24Å; S100-F111 WeakPolarHBondContact O-CA 3.5Å; K101-F111 HydrophobicContact CB-CD1 3.71Å; K101-F111 HydrophobicContact CB-CE1 3.62Å; K101-F111 HydrophobicContact CD-CE1 3.84Å; K101-F111 HydrophobicContact CD-CZ 4.05Å; K101-F111 HydrophobicContact CG-CD1 4.03Å; K101-F111 HydrophobicContact CG-CE1 3.68Å; K101-F111 HydrophobicContact CG-CZ 4.17Å; P109-F111 HydrophobicContact CB-CE2 3.86Å; P109-F111 HydrophobicContact CB-CZ 4.4Å; F111-Y159 PolarHBondContact N-O 3.38Å; F111-Y159 WeakPolarHBondContact O-CD2 3.48Å; F111-Y159 PolarHBondContact O-N 3.09Å; F111-I161 HydrophobicContact CD2-CG1 4.17Å; F111-I161 HydrophobicContact CE2-CB 4.49Å; F111-I161 HydrophobicContact CE2-CG1 4.5Å; F111-L166 HydrophobicContact CE2-CD1 4.05Å; F111-L166 HydrophobicContact CZ-CD1 4.26Å
112	F	98.6	Very high	97.7	Very high	47 Å²	47	52.9 Å²	52.9	21%	0.206	28%	0.281	C	S	.	.	S	Bend	trans	-91.4	-16.3	177.6	70	-105	0	0	0	113.2	D99 S100 F102 P152 P154 T155 K157	D99-F112 WeakPolarHBondContact O-CE1 3.29Å; S100-F112 VanDerWaalsContact CA-CE1 3.4Å; S100-F112 WeakPolarHBondContact O-CD1 3.33Å; S100-F112 PolarHBondContact O-N 2.97Å; F102-F112 HydrophobicContact CD1-CB 4.14Å; F102-F112 HydrophobicContact CD1-CD1 4.29Å; F102-F112 HydrophobicContact CE1-CB 3.94Å; F112-P152 HydrophobicContact CB-CG 3.69Å; F112-P152 HydrophobicContact CD1-CG 4.23Å; F112-P152 HydrophobicContact CG-CG 4.21Å; F112-P154 HydrophobicContact CE2-CG 4.38Å; F112-T155 HydrophobicContact CD2-CG2 4.25Å; F112-T155 WeakPolarHBondContact O-CB 3.49Å; F112-T155 WeakPolarHBondContact O-CG2 3.34Å; F112-T155 PolarHBondContact O-OG1 3.41Å; F112-K157 VanDerWaalsContact CA-O 3.27Å; F112-K157 WeakPolarHBondContact CA-O 3.35Å
113	D	98.4	Very high	97.6	Very high	68 Å²	68	51.5 Å²	51.5	36%	0.364	28%	0.279	S	S	.	.	S	Bend	trans	-149.2	159.7	-179.7	-151.8	-3.8	0	0	0	112.1	S100 T155	S100-D113 WeakPolarHBondContact CB-O 3.26Å; S100-D113 PolarHBondContact OG-O 2.88Å; D113-T155 HydrophobicContact CB-CG2 4.13Å
114	L	98.1	Very high	97.5	Very high	23 Å²	23	51.7 Å²	51.7	12%	0.12	28%	0.28	C	S	.	.			trans	-84.6	156	174.9	-58.5	179.3	0	0	0	110.7	F96 K116 V120 Y159	F96-L114 HydrophobicContact CD1-CD2 4Å; F96-L114 HydrophobicContact CE1-CD2 3.39Å; F96-L114 HydrophobicContact CZ-CD2 4.03Å; L114-K116 VanDerWaalsContact C-N 3.32Å; L114-K116 VanDerWaalsContact CB-O 3.27Å; L114-K116 WeakPolarHBondContact CB-O 3.33Å; L114-V120 HydrophobicContact CD1-CB 4.06Å; L114-V120 HydrophobicContact CD1-CG2 4.45Å; L114-V120 HydrophobicContact CD2-CB 4.04Å; L114-V120 HydrophobicContact CD2-CG2 3.63Å; L114-Y159 HydrophobicContact CD1-CE1 4.31Å; L114-Y159 HydrophobicContact CD2-CD1 3.88Å; L114-Y159 HydrophobicContact CD2-CD2 4.47Å; L114-Y159 HydrophobicContact CD2-CE1 3.56Å; L114-Y159 HydrophobicContact CD2-CE2 4.21Å; L114-Y159 HydrophobicContact CD2-CG 4.34Å; L114-Y159 HydrophobicContact CG-CE1 4.01Å; L114-Y159 HydrophobicContact CG-CE2 4.21Å
115	L	96.8	Very high	97.3	Very high	68 Å²	68	50.5 Å²	50.5	36%	0.356	27%	0.27	S	S	.	.	S	Bend	trans	-67.1	-37.8	169.7	-169.7	77.5	0	0	0	111.5	T85 P94 L95	T85-L115 HydrophobicContact CG2-CD2 4.01Å; P94-L115 HydrophobicContact CB-CD2 3.58Å; P94-L115 HydrophobicContact CG-CD2 4.18Å; L95-L115 WeakPolarHBondContact O-CB 3.34Å; L95-L115 PolarHBondContact O-N 3.07Å
116	K	97.2	Very high	97.2	Very high	111 Å²	111	54.6 Å²	54.6	48%	0.483	27%	0.274	S	S	.	.	S	Bend	trans	-140.1	143.8	171.8	-57.1	-176	-179.2	-178.2	0	108.9	L114 E118 S119	L114-K116 VanDerWaalsContact C-N 3.32Å; L114-K116 VanDerWaalsContact CB-O 3.27Å; L114-K116 WeakPolarHBondContact CB-O 3.33Å; K116-E118 WeakPolarHBondContact CD-OE1 3.41Å; K116-E118 PolarHBondContact O-N 3.41Å; K116-E118 VanDerWaalsContact O-N 3.16Å; K116-S119 VanDerWaalsContact O-CB 3.3Å; K116-S119 WeakPolarHBondContact O-CB 3.41Å; K116-S119 PolarHBondContact O-N 2.94Å; K116-S119 PolarHBondContact O-OG 2.8Å
117	E	95	Very high	96.7	Very high	177 Å²	177	55 Å²	55	83%	0.827	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-56.3	-35.4	-177.8	-65.4	-175.7	174.5	0	0	112
118	E	95.3	Very high	96.2	Very high	121 Å²	121	65 Å²	65	57%	0.565	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-84.8	-0.8	-179.7	73.3	-81.4	-173	0	0	115	K116 V120 S138	K116-E118 WeakPolarHBondContact CD-OE1 3.41Å; K116-E118 PolarHBondContact O-N 3.41Å; K116-E118 VanDerWaalsContact O-N 3.16Å; E118-V120 PolarHBondContact O-N 3.08Å; E118-S138 WeakPolarHBondContact O-CB 3.47Å; E118-S138 PolarHBondContact O-OG 3.12Å
119	S	96.9	Very high	95.9	Very high	11 Å²	11	65.7 Å²	65.7	8%	0.077	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-65.6	-26.8	-177.8	-77	0	0	0	0	113.2	P94 L95 K116 S138	P94-S119 PolarHBondContact O-OG 3.09Å; L95-S119 WeakPolarHBondContact CD2-O 3.3Å; K116-S119 VanDerWaalsContact O-CB 3.3Å; K116-S119 WeakPolarHBondContact O-CB 3.41Å; K116-S119 PolarHBondContact O-N 2.94Å; K116-S119 PolarHBondContact O-OG 2.8Å; S119-S138 PolarHBondContact O-N 2.94Å; S119-S138 VanDerWaalsContact O-N 3.15Å; S119-S138 PolarHBondContact O-OG 2.91Å
120	V	98.3	Very high	95.5	Very high	13 Å²	13	70.7 Å²	70.7	8%	0.079	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.8	-174.2	173.7	0	0	0	0	110.6	L95 F96 L114 E118 L122 T135 T136 L144	L95-V120 HydrophobicContact CD2-CG2 4.24Å; F96-V120 HydrophobicContact CZ-CG2 4.28Å; L114-V120 HydrophobicContact CD1-CB 4.06Å; L114-V120 HydrophobicContact CD1-CG2 4.45Å; L114-V120 HydrophobicContact CD2-CB 4.04Å; L114-V120 HydrophobicContact CD2-CG2 3.63Å; E118-V120 PolarHBondContact O-N 3.08Å; V120-L122 HydrophobicContact CG1-CD2 4.16Å; V120-T135 HydrophobicContact CG1-CG2 3.94Å; V120-T136 CarbonylContact C-O 3.54Å; V120-T136 WeakPolarHBondContact CA-O 3.27Å; V120-L144 HydrophobicContact CG1-CD1 4.49Å; V120-L144 HydrophobicContact CG2-CD1 3.81Å
121	S	97.9	Very high	95.4	Very high	37 Å²	37	76.3 Å²	76.3	26%	0.259	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142	168.7	-59.5	0	0	0	0	110.4	T136	S121-T136 PolarHBondContact N-O 2.81Å; S121-T136 PolarHBondContact O-N 2.88Å
122	L	97.8	Very high	95.2	Very high	90 Å²	90	79.1 Å²	79.1	47%	0.471	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.5	179.2	-56	-179	0	0	0	110.8	V120 V133 E134 T135 L147	V120-L122 HydrophobicContact CG1-CD2 4.16Å; L122-V133 HydrophobicContact CB-CG1 3.86Å; L122-V133 HydrophobicContact CD1-CG1 4.37Å; L122-V133 HydrophobicContact CD2-CG1 4.07Å; L122-V133 HydrophobicContact CG-CG1 4.31Å; L122-E134 WeakPolarHBondContact CA-O 3.41Å; L122-T135 HydrophobicContact CD2-CG2 3.68Å; L122-L147 HydrophobicContact CD1-CD2 3.79Å; L122-L147 HydrophobicContact CD2-CB 4.43Å; L122-L147 HydrophobicContact CD2-CD2 4.01Å
123	A	96.7	Very high	95.2	Very high	21 Å²	21	78.9 Å²	78.9	17%	0.174	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145	173.5	0	0	0	0	0	111.1	D125 V133 E134	A123-D125 PolarHBondContact O-N 2.95Å; A123-V133 CarbonylContact O-C 3.45Å; A123-E134 PolarHBondContact N-O 2.94Å; A123-E134 PolarHBondContact O-N 2.65Å
124	D	97	Very high	95.2	Very high	104 Å²	104	75.9 Å²	75.9	56%	0.556	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.2	171.8	-65.1	-55.2	0	0	0	110.9	F126 H131	D124-F126 HydrophobicContact CB-CD2 4.3Å; D124-F126 HydrophobicContact CB-CE2 3.55Å; D124-F126 HydrophobicContact CB-CZ 3.95Å; D124-H131 IonicContact OD1-CD2 3.88Å; D124-H131 IonicContact OD1-CE1 3.55Å; D124-H131 IonicContact OD1-NE2 3.28Å; D124-H131 PolarHBondContact OD1-NE2 3.28Å
125	D	93.6	Very high	95.2	Very high	19 Å²	19	74.8 Å²	74.8	10%	0.102	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.8	175.2	173.9	21.7	0	0	0	109	A123 S127 R132 E134 H146	A123-D125 PolarHBondContact O-N 2.95Å; D125-S127 WeakPolarHBondContact OD1-CB 3.43Å; D125-S127 PolarHBondContact OD1-N 2.97Å; D125-S127 PolarHBondContact OD1-OG 3.18Å; D125-S127 PolarHBondContact OD2-OG 3.3Å; D125-S127 VanDerWaalsContact OD2-OG 3.06Å; D125-R132 HydrophobicContact CB-CB 4.37Å; D125-R132 PolarHBondContact N-O 3.17Å; D125-R132 PolarHBondContact O-N 2.8Å; D125-R132 IonicContact OD2-CZ 3.19Å; D125-R132 IonicContact OD2-NE 2.82Å; D125-R132 PolarHBondContact OD2-NE 2.68Å; D125-R132 IonicContact OD2-NH2 3.42Å; D125-R132 PolarHBondContact OD2-NH2 3.3Å; D125-E134 HydrophobicContact CB-CB 4.14Å; D125-H146 IonicContact OD2-CD2 3.72Å; D125-H146 IonicContact OD2-CE1 3.71Å; D125-H146 IonicContact OD2-NE2 2.77Å; D125-H146 PolarHBondContact OD2-NE2 3.45Å
126	F	94.1	Very high	95.3	Very high	137 Å²	137	71.8 Å²	71.8	60%	0.601	37%	0.369	S	S	*	.			trans	-105.8	13	178.1	-62.3	-78	0	0	0	112.7	D124 L130 H131	D124-F126 HydrophobicContact CB-CD2 4.3Å; D124-F126 HydrophobicContact CB-CE2 3.55Å; D124-F126 HydrophobicContact CB-CZ 3.95Å; F126-L130 CarbonylContact C-O 3.59Å; F126-L130 VanDerWaalsContact CA-O 3.25Å; F126-L130 WeakPolarHBondContact CA-O 3.18Å; F126-H131 HydrophobicContact CD1-CB 4.24Å; F126-H131 HydrophobicContact CE1-CB 4.08Å; F126-H131 AromaticContact CE1-CD2 3.47Å; F126-H131 VanDerWaalsContact CE1-CD2 3.47Å; F126-H131 WeakPolarHBondContact CE1-CD2 3.4Å; F126-H131 AromaticContact CE1-CG 3.89Å; F126-H131 AromaticContact CZ-CD2 3.78Å
127	S	87.1	Confident	95.4	Very high	42 Å²	42	66.5 Å²	66.5	29%	0.294	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-60.8	152	177	60.5	0	0	0	0	111.4	D125 G129 L130 R132	D125-S127 WeakPolarHBondContact OD1-CB 3.43Å; D125-S127 PolarHBondContact OD1-N 2.97Å; D125-S127 PolarHBondContact OD1-OG 3.18Å; D125-S127 PolarHBondContact OD2-OG 3.3Å; D125-S127 VanDerWaalsContact OD2-OG 3.06Å; S127-G129 PolarHBondContact O-N 3.47Å; S127-L130 PolarHBondContact O-N 3.42Å; S127-R132 PolarHBondContact OG-NH2 2.86Å
128	Y	87.4	Confident	95.6	Very high	213 Å²	213	58.8 Å²	58.8	84%	0.835	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	58	17.3	-179.5	-51.2	-77.9	0	0	0	115.2	L130	Y128-L130 PolarHBondContact O-N 3.4Å
129	G	91.1	Very high	95.7	Very high	77 Å²	77	56.5 Å²	56.5	79%	0.794	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	73	13.4	-179.2	0	0	0	0	0	114	S127	S127-G129 PolarHBondContact O-N 3.47Å
130	L	91.6	Very high	95.8	Very high	105 Å²	105	56.8 Å²	56.8	55%	0.55	30%	0.303	S	S	.	.			trans	-109.1	143.8	176.8	-61.3	175.9	0	0	0	109.4	F126 S127 Y128 R132	F126-L130 CarbonylContact C-O 3.59Å; F126-L130 VanDerWaalsContact CA-O 3.25Å; F126-L130 WeakPolarHBondContact CA-O 3.18Å; S127-L130 PolarHBondContact O-N 3.42Å; Y128-L130 PolarHBondContact O-N 3.4Å; L130-R132 HydrophobicContact CB-CG 4.39Å
131	H	94.9	Very high	95.8	Very high	119 Å²	119	57 Å²	57	55%	0.551	31%	0.308	S	S	*	.			trans	-90.2	119.4	166.9	177.9	-137.4	0	0	0	109.1	D124 F126	D124-H131 IonicContact OD1-CD2 3.88Å; D124-H131 IonicContact OD1-CE1 3.55Å; D124-H131 IonicContact OD1-NE2 3.28Å; D124-H131 PolarHBondContact OD1-NE2 3.28Å; F126-H131 HydrophobicContact CD1-CB 4.24Å; F126-H131 HydrophobicContact CE1-CB 4.08Å; F126-H131 AromaticContact CE1-CD2 3.47Å; F126-H131 VanDerWaalsContact CE1-CD2 3.47Å; F126-H131 WeakPolarHBondContact CE1-CD2 3.4Å; F126-H131 AromaticContact CE1-CG 3.89Å; F126-H131 AromaticContact CZ-CD2 3.78Å
132	R	96.2	Very high	95.8	Very high	59 Å²	59	55.4 Å²	55.4	22%	0.223	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.9	174.8	-57.2	-176.1	-63.7	176.2	-0.7	109.2	D125 S127 L130 H146	D125-R132 HydrophobicContact CB-CB 4.37Å; D125-R132 PolarHBondContact N-O 3.17Å; D125-R132 PolarHBondContact O-N 2.8Å; D125-R132 IonicContact OD2-CZ 3.19Å; D125-R132 IonicContact OD2-NE 2.82Å; D125-R132 PolarHBondContact OD2-NE 2.68Å; D125-R132 IonicContact OD2-NH2 3.42Å; D125-R132 PolarHBondContact OD2-NH2 3.3Å; S127-R132 PolarHBondContact OG-NH2 2.86Å; L130-R132 HydrophobicContact CB-CG 4.39Å; R132-H146 VanDerWaalsContact CZ-NE2 3.33Å; R132-H146 PolarHBondContact NE-NE2 2.74Å; R132-H146 PolarHBondContact NH1-CE1 3.13Å; R132-H146 PolarHBondContact NH2-CE1 2.76Å; R132-H146 PolarHBondContact NH2-NE2 2.93Å
133	V	98.1	Very high	95.8	Very high	41 Å²	41	51.3 Å²	51.3	25%	0.248	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	106.7	172	-177.8	0	0	0	0	108.4	L122 A123 H146 L147	L122-V133 HydrophobicContact CB-CG1 3.86Å; L122-V133 HydrophobicContact CD1-CG1 4.37Å; L122-V133 HydrophobicContact CD2-CG1 4.07Å; L122-V133 HydrophobicContact CG-CG1 4.31Å; A123-V133 CarbonylContact O-C 3.45Å; V133-H146 CarbonylContact O-C 3.2Å; V133-H146 WeakPolarHBondContact O-CA 3.47Å; V133-H146 WeakPolarHBondContact O-CB 3.43Å; V133-H146 PolarHBondContact O-CD2 2.72Å; V133-L147 HydrophobicContact CB-CB 4.21Å; V133-L147 HydrophobicContact CG1-CB 4.24Å; V133-L147 HydrophobicContact CG1-CD2 4.45Å; V133-L147 PolarHBondContact O-N 2.87Å
134	E	98.4	Very high	95.9	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.023	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.6	173.6	-179.5	-176.1	-155.9	0	0	110.4	R67 L122 A123 D125 T136 H143	R67-E134 IonicContact CZ-OE1 3.09Å; R67-E134 IonicContact CZ-OE2 3.82Å; R67-E134 IonicContact NE-OE1 3.76Å; R67-E134 IonicContact NH1-OE1 2.57Å; R67-E134 PolarHBondContact NH1-OE1 2.88Å; R67-E134 IonicContact NH1-OE2 3.26Å; R67-E134 PolarHBondContact NH1-OE2 3.11Å; R67-E134 IonicContact NH2-OE1 2.86Å; R67-E134 PolarHBondContact NH2-OE1 2.9Å; R67-E134 IonicContact NH2-OE2 2.98Å; R67-E134 PolarHBondContact NH2-OE2 2.65Å; L122-E134 WeakPolarHBondContact CA-O 3.41Å; A123-E134 PolarHBondContact N-O 2.94Å; A123-E134 PolarHBondContact O-N 2.65Å; D125-E134 HydrophobicContact CB-CB 4.14Å; E134-T136 HydrophobicContact CG-CG2 4.03Å; E134-H143 IonicContact OE1-CE1 3.59Å; E134-H143 IonicContact OE1-CG 3.9Å; E134-H143 IonicContact OE1-ND1 3.79Å; E134-H143 PolarHBondContact OE1-ND1 2.77Å
135	T	98.7	Very high	96	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.4	171.7	56.9	0	0	0	0	109.7	V120 L122 L144 G145 H146 L147 Y159	V120-T135 HydrophobicContact CG1-CG2 3.94Å; L122-T135 HydrophobicContact CD2-CG2 3.68Å; T135-L144 WeakPolarHBondContact O-CB 3.13Å; T135-L144 PolarHBondContact O-N 2.86Å; T135-G145 PolarHBondContact N-O 3.28Å; T135-G145 PolarHBondContact O-N 2.82Å; T135-G145 PolarHBondContact OG1-N 3.42Å; T135-G145 PolarHBondContact OG1-O 3.3Å; T135-H146 PolarHBondContact OG1-N 3.04Å; T135-L147 HydrophobicContact CG2-CB 3.88Å; T135-Y159 HydrophobicContact CG2-CD1 4.03Å; T135-Y159 HydrophobicContact CG2-CE1 4.37Å
136	T	98.7	Very high	96.3	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150	175.2	62.5	0	0	0	0	110.8	V120 S121 E134 S138 A142	V120-T136 CarbonylContact C-O 3.54Å; V120-T136 WeakPolarHBondContact CA-O 3.27Å; S121-T136 PolarHBondContact N-O 2.81Å; S121-T136 PolarHBondContact O-N 2.88Å; E134-T136 HydrophobicContact CG-CG2 4.03Å; T136-S138 PolarHBondContact O-N 2.84Å; T136-A142 CarbonylContact C-O 3.54Å; T136-A142 VanDerWaalsContact CA-O 3.26Å; T136-A142 WeakPolarHBondContact CA-O 3.48Å
137	C	98.7	Very high	96.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	125.5	172.1	176.3	0	0	0	0	110	C88 C91 Q139 G141 A142 L144	C88-C137 HydrophobicContact CB-CB 4.35Å; C91-C137 VanDerWaalsContact SG-SG 3.67Å; C137-Q139 PolarHBondContact O-N 2.9Å; C137-G141 VanDerWaalsContact O-CA 3.29Å; C137-G141 WeakPolarHBondContact O-CA 3.38Å; C137-G141 PolarHBondContact O-N 3.37Å; C137-A142 HydrophobicContact CB-CB 4.27Å; C137-A142 PolarHBondContact N-O 2.84Å; C137-L144 HydrophobicContact CB-CD1 4.48Å; C137-L144 HydrophobicContact CB-CD2 4.36Å
138	S	98.2	Very high	97	Very high	16 Å²	16	40.6 Å²	40.6	11%	0.112	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.8	-178.1	65.7	0	0	0	0	113.6	P44 E118 S119 T136	P44-S138 VanDerWaalsContact CD-O 3.31Å; P44-S138 WeakPolarHBondContact CD-O 3.29Å; E118-S138 WeakPolarHBondContact O-CB 3.47Å; E118-S138 PolarHBondContact O-OG 3.12Å; S119-S138 PolarHBondContact O-N 2.94Å; S119-S138 VanDerWaalsContact O-N 3.15Å; S119-S138 PolarHBondContact O-OG 2.91Å; T136-S138 PolarHBondContact O-N 2.84Å
139	Q	98.3	Very high	97.5	Very high	72 Å²	72	36.4 Å²	36.4	34%	0.336	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-37.4	-177.1	-64	-57.7	-54	0	0	113.4	P44 V45 A93 C137	P44-Q139 VanDerWaalsContact CD-O 3.25Å; P44-Q139 WeakPolarHBondContact CD-O 3.27Å; V45-Q139 PolarHBondContact N-O 3.04Å; A93-Q139 HydrophobicContact CB-CB 4.1Å; A93-Q139 HydrophobicContact CB-CG 3.71Å; C137-Q139 PolarHBondContact O-N 2.9Å
140	C	98.3	Very high	97.8	Very high	18 Å²	18	37.3 Å²	37.3	12%	0.122	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-4.4	-173.6	69.5	0	0	0	0	115.1	V45 C91 A142	V45-C140 WeakPolarHBondContact O-CA 3.35Å; C91-C140 HydrophobicContact CB-CB 3.87Å; C140-A142 VanDerWaalsContact C-N 3.27Å; C140-A142 PolarHBondContact O-N 3.45Å
141	G	98.1	Very high	98.1	Very high	18 Å²	18	33.2 Å²	33.2	19%	0.186	18%	0.176	C	C	.	.			trans	77.4	5	179.3	0	0	0	0	0	116	W43 C137 H143	W43-G141 VanDerWaalsContact CD2-CA 3.45Å; C137-G141 VanDerWaalsContact O-CA 3.29Å; C137-G141 WeakPolarHBondContact O-CA 3.38Å; C137-G141 PolarHBondContact O-N 3.37Å; G141-H143 PolarHBondContact O-N 2.98Å
142	A	98.6	Very high	98.3	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	17%	0.165	C	C	.	.			trans	-56.8	132	176.9	0	0	0	0	0	111.2	T64 V90 T136 C137 C140 L144	T64-A142 HydrophobicContact CG2-CB 4.45Å; V90-A142 HydrophobicContact CB-CB 4.1Å; V90-A142 HydrophobicContact CG2-CB 3.66Å; T136-A142 CarbonylContact C-O 3.54Å; T136-A142 VanDerWaalsContact CA-O 3.26Å; T136-A142 WeakPolarHBondContact CA-O 3.48Å; C137-A142 HydrophobicContact CB-CB 4.27Å; C137-A142 PolarHBondContact N-O 2.84Å; C140-A142 VanDerWaalsContact C-N 3.27Å; C140-A142 PolarHBondContact O-N 3.45Å; A142-L144 PolarHBondContact O-N 2.82Å
143	H	98.8	Very high	98.3	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	131.7	173.6	176.6	76.6	0	0	0	110.6	V63 T64 R67 E134 G141 S165	V63-H143 WeakPolarHBondContact O-CB 3.33Å; V63-H143 PolarHBondContact O-CD2 3.47Å; T64-H143 PolarHBondContact O-N 3.26Å; R67-H143 HydrophobicContact CB-CB 4.46Å; R67-H143 HydrophobicContact CG-CB 4.11Å; E134-H143 IonicContact OE1-CE1 3.59Å; E134-H143 IonicContact OE1-CG 3.9Å; E134-H143 IonicContact OE1-ND1 3.79Å; E134-H143 PolarHBondContact OE1-ND1 2.77Å; G141-H143 PolarHBondContact O-N 2.98Å; H143-S165 PolarHBondContact O-OG 2.82Å
144	L	98.9	Very high	98.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-49.7	-179.4	-54.3	177.9	0	0	0	111.1	L95 V120 T135 C137 A142 I161 N162	L95-L144 HydrophobicContact CD1-CD1 3.9Å; L95-L144 HydrophobicContact CD1-CD2 3.8Å; L95-L144 HydrophobicContact CD2-CD1 4.29Å; V120-L144 HydrophobicContact CG1-CD1 4.49Å; V120-L144 HydrophobicContact CG2-CD1 3.81Å; T135-L144 WeakPolarHBondContact O-CB 3.13Å; T135-L144 PolarHBondContact O-N 2.86Å; C137-L144 HydrophobicContact CB-CD1 4.48Å; C137-L144 HydrophobicContact CB-CD2 4.36Å; A142-L144 PolarHBondContact O-N 2.82Å; L144-I161 HydrophobicContact CB-CD1 4.03Å; L144-I161 HydrophobicContact CB-CG2 4.16Å; L144-N162 WeakPolarHBondContact O-CB 3.46Å; L144-N162 PolarHBondContact O-N 3.39Å; L144-N162 PolarHBondContact O-ND2 3.48Å
145	G	98.6	Very high	98.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-136.3	-176.4	0	0	0	0	0	110.7	T135 C160	T135-G145 PolarHBondContact N-O 3.28Å; T135-G145 PolarHBondContact O-N 2.82Å; T135-G145 PolarHBondContact OG1-N 3.42Å; T135-G145 PolarHBondContact OG1-O 3.3Å; G145-C160 WeakPolarHBondContact CA-O 3.33Å
146	H	98.6	Very high	98.1	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.06	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154	-175.8	-64.8	85.8	0	0	0	113.4	D125 R132 V133 T135 F148 C160	D125-H146 IonicContact OD2-CD2 3.72Å; D125-H146 IonicContact OD2-CE1 3.71Å; D125-H146 IonicContact OD2-NE2 2.77Å; D125-H146 PolarHBondContact OD2-NE2 3.45Å; R132-H146 VanDerWaalsContact CZ-NE2 3.33Å; R132-H146 PolarHBondContact NE-NE2 2.74Å; R132-H146 PolarHBondContact NH1-CE1 3.13Å; R132-H146 PolarHBondContact NH2-CE1 2.76Å; R132-H146 PolarHBondContact NH2-NE2 2.93Å; V133-H146 CarbonylContact O-C 3.2Å; V133-H146 WeakPolarHBondContact O-CA 3.47Å; V133-H146 WeakPolarHBondContact O-CB 3.43Å; V133-H146 PolarHBondContact O-CD2 2.72Å; T135-H146 PolarHBondContact OG1-N 3.04Å; H146-F148 HydrophobicContact CB-CD2 4.5Å; H146-F148 HydrophobicContact CB-CE2 3.74Å; H146-F148 HydrophobicContact CB-CZ 3.94Å; H146-C160 PolarHBondContact N-O 3.44Å; H146-C160 PolarHBondContact O-N 3.46Å
147	L	98.6	Very high	98.1	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.094	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.8	172.6	175	63.1	0	0	0	110.1	L122 V133 T135 K157 Y159	L122-L147 HydrophobicContact CD1-CD2 3.79Å; L122-L147 HydrophobicContact CD2-CB 4.43Å; L122-L147 HydrophobicContact CD2-CD2 4.01Å; V133-L147 HydrophobicContact CB-CB 4.21Å; V133-L147 HydrophobicContact CG1-CB 4.24Å; V133-L147 HydrophobicContact CG1-CD2 4.45Å; V133-L147 PolarHBondContact O-N 2.87Å; T135-L147 HydrophobicContact CG2-CB 3.88Å; L147-K157 HydrophobicContact CD1-CB 3.9Å; L147-K157 HydrophobicContact CD1-CD 4.24Å; L147-K157 HydrophobicContact CD1-CG 4.32Å; L147-Y159 HydrophobicContact CD1-CD1 4.02Å; L147-Y159 HydrophobicContact CD1-CD2 4.17Å; L147-Y159 HydrophobicContact CD1-CE1 3.84Å; L147-Y159 HydrophobicContact CD1-CE2 3.99Å; L147-Y159 HydrophobicContact CD1-CG 4.17Å; L147-Y159 HydrophobicContact CD2-CE1 4.46Å
148	F	98.3	Very high	98.1	Very high	66 Å²	66	47.3 Å²	47.3	29%	0.289	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.4	175.4	-59.9	-84.7	0	0	0	111.2	H146 D150 K157 R158 C160	H146-F148 HydrophobicContact CB-CD2 4.5Å; H146-F148 HydrophobicContact CB-CE2 3.74Å; H146-F148 HydrophobicContact CB-CZ 3.94Å; F148-D150 WeakPolarHBondContact CB-OD1 3.42Å; F148-K157 WeakPolarHBondContact O-CA 3.5Å; F148-R158 HydrophobicContact CB-CB 4.43Å; F148-R158 PolarHBondContact N-O 3.44Å; F148-R158 PolarHBondContact O-N 3.07Å; F148-C160 HydrophobicContact CD2-CB 3.82Å; F148-C160 HydrophobicContact CE2-CB 3.62Å
149	D	97.9	Very high	98.1	Very high	124 Å²	124	47.6 Å²	47.6	66%	0.663	26%	0.259	S	S	*	.	S	Bend	trans	-99.2	25.2	-178	-67.4	-24.1	0	0	0	113.2	G156 K157	D149-G156 CarbonylContact C-O 3.52Å; D149-K157 WeakPolarHBondContact OD1-CD 3.41Å; D149-K157 WeakPolarHBondContact OD1-CE 3.48Å; D149-K157 IonicContact OD1-NZ 3.81Å; D149-K157 PolarHBondContact OD1-NZ 2.81Å; D149-K157 IonicContact OD2-NZ 2.8Å
150	D	98.1	Very high	98.1	Very high	97 Å²	97	45 Å²	45	52%	0.519	25%	0.248	S	C	.	.			trans	-115.4	25	-176.9	65	-7.2	0	0	0	112.4	F148 R158	F148-D150 WeakPolarHBondContact CB-OD1 3.42Å; D150-R158 VanDerWaalsContact CG-NH2 3.33Å; D150-R158 WeakPolarHBondContact OD1-CB 3.42Å; D150-R158 IonicContact OD1-CZ 2.82Å; D150-R158 VanDerWaalsContact OD1-CZ 3.31Å; D150-R158 IonicContact OD1-NE 3.75Å; D150-R158 PolarHBondContact OD1-NE 2.75Å; D150-R158 IonicContact OD1-NH2 3.76Å; D150-R158 PolarHBondContact OD1-NH2 2.93Å; D150-R158 VanDerWaalsContact OD1-NH2 3.09Å; D150-R158 IonicContact OD2-CZ 3.35Å; D150-R158 IonicContact OD2-NE 2.86Å; D150-R158 PolarHBondContact OD2-NE 2.74Å; D150-R158 IonicContact OD2-NH2 2.73Å; D150-R158 PolarHBondContact OD2-NH2 2.9Å
151	G	97.9	Very high	98.2	Very high	18 Å²	18	44.1 Å²	44.1	19%	0.186	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-82.2	170.8	179.1	0	0	0	0	0	114.4	G156 K157	G151-G156 PolarHBondContact N-O 3.2Å; G151-G156 VanDerWaalsContact N-O 3.07Å; G151-G156 WeakPolarHBondContact O-CA 3.42Å; G151-K157 WeakPolarHBondContact CA-O 3.45Å
152	P	97.9	Very high	98.2	Very high	49 Å²	49	43.4 Å²	43.4	32%	0.318	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-72.1	166.9	174.8	32.8	-36.1	0	0	0	111.7	F102 F112 G156	F102-P152 HydrophobicContact CD1-CG 4.13Å; F102-P152 HydrophobicContact CD2-CG 4.39Å; F102-P152 HydrophobicContact CE1-CG 4.05Å; F102-P152 HydrophobicContact CE2-CG 4.31Å; F102-P152 HydrophobicContact CG-CG 4.29Å; F102-P152 HydrophobicContact CZ-CG 4.13Å; F112-P152 HydrophobicContact CB-CG 3.69Å; F112-P152 HydrophobicContact CD1-CG 4.23Å; F112-P152 HydrophobicContact CG-CG 4.21Å; P152-G156 WeakPolarHBondContact O-CA 3.36Å; P152-G156 PolarHBondContact O-N 3.45Å
153	K	96.3	Very high	98.2	Very high	195 Å²	195	43.6 Å²	43.6	85%	0.848	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	150.5	162.8	-72.3	-176	-179.3	-179	0	109.6
154	P	95.9	Very high	98.2	Very high	108 Å²	108	43.9 Å²	43.9	70%	0.701	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.6	-22.8	9.6	32	-34.7	0	0	0	115.2	F112	F112-P154 HydrophobicContact CE2-CG 4.38Å
155	T	97.7	Very high	98.2	Very high	49 Å²	49	43.9 Å²	43.9	30%	0.301	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-28.5	-169.5	62	0	0	0	0	113.4	F112 D113 K157	F112-T155 HydrophobicContact CD2-CG2 4.25Å; F112-T155 WeakPolarHBondContact O-CB 3.49Å; F112-T155 WeakPolarHBondContact O-CG2 3.34Å; F112-T155 PolarHBondContact O-OG1 3.41Å; D113-T155 HydrophobicContact CB-CG2 4.13Å; T155-K157 PolarHBondContact O-N 3.31Å; T155-K157 PolarHBondContact OG1-N 2.77Å; T155-K157 VanDerWaalsContact OG1-N 3.11Å
156	G	98.1	Very high	98.2	Very high	26 Å²	26	44 Å²	44	27%	0.268	24%	0.239	S	C	.	.			trans	68.4	9.3	-168.3	0	0	0	0	0	113.3	D149 G151 P152	D149-G156 CarbonylContact C-O 3.52Å; G151-G156 PolarHBondContact N-O 3.2Å; G151-G156 VanDerWaalsContact N-O 3.07Å; G151-G156 WeakPolarHBondContact O-CA 3.42Å; P152-G156 WeakPolarHBondContact O-CA 3.36Å; P152-G156 PolarHBondContact O-N 3.45Å
157	K	98.5	Very high	98.2	Very high	74 Å²	74	45.2 Å²	45.2	32%	0.322	25%	0.252	S	S	.	.			trans	-103.4	144.8	-176.5	-63.7	-49.1	-173.3	-171.4	0	110.9	F112 L147 F148 D149 G151 T155 Y159	F112-K157 VanDerWaalsContact CA-O 3.27Å; F112-K157 WeakPolarHBondContact CA-O 3.35Å; L147-K157 HydrophobicContact CD1-CB 3.9Å; L147-K157 HydrophobicContact CD1-CD 4.24Å; L147-K157 HydrophobicContact CD1-CG 4.32Å; F148-K157 WeakPolarHBondContact O-CA 3.5Å; D149-K157 WeakPolarHBondContact OD1-CD 3.41Å; D149-K157 WeakPolarHBondContact OD1-CE 3.48Å; D149-K157 IonicContact OD1-NZ 3.81Å; D149-K157 PolarHBondContact OD1-NZ 2.81Å; D149-K157 IonicContact OD2-NZ 2.8Å; G151-K157 WeakPolarHBondContact CA-O 3.45Å; T155-K157 PolarHBondContact O-N 3.31Å; T155-K157 PolarHBondContact OG1-N 2.77Å; T155-K157 VanDerWaalsContact OG1-N 3.11Å; K157-Y159 HydrophobicContact CB-CE2 4.11Å
158	R	98.8	Very high	98.2	Very high	25 Å²	25	46.7 Å²	46.7	9%	0.094	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109	170.9	-178.5	170.7	60.6	82.8	3.3	109.7	F102 F148 D150 C160	F102-R158 HydrophobicContact CE1-CG 4.23Å; F102-R158 HydrophobicContact CZ-CB 4.07Å; F102-R158 HydrophobicContact CZ-CG 3.64Å; F148-R158 HydrophobicContact CB-CB 4.43Å; F148-R158 PolarHBondContact N-O 3.44Å; F148-R158 PolarHBondContact O-N 3.07Å; D150-R158 VanDerWaalsContact CG-NH2 3.33Å; D150-R158 WeakPolarHBondContact OD1-CB 3.42Å; D150-R158 IonicContact OD1-CZ 2.82Å; D150-R158 VanDerWaalsContact OD1-CZ 3.31Å; D150-R158 IonicContact OD1-NE 3.75Å; D150-R158 PolarHBondContact OD1-NE 2.75Å; D150-R158 IonicContact OD1-NH2 3.76Å; D150-R158 PolarHBondContact OD1-NH2 2.93Å; D150-R158 VanDerWaalsContact OD1-NH2 3.09Å; D150-R158 IonicContact OD2-CZ 3.35Å; D150-R158 IonicContact OD2-NE 2.86Å; D150-R158 PolarHBondContact OD2-NE 2.74Å; D150-R158 IonicContact OD2-NH2 2.73Å; D150-R158 PolarHBondContact OD2-NH2 2.9Å; R158-C160 PolarHBondContact O-N 2.57Å
159	Y	98.8	Very high	98.2	Very high	22 Å²	22	49.4 Å²	49.4	9%	0.086	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	102.9	167.5	-64.6	-92.3	0	0	0	107.9	F96 S110 F111 L114 T135 L147 K157	F96-Y159 HydrophobicContact CE1-CD1 4.11Å; F96-Y159 HydrophobicContact CE1-CD2 4.45Å; F96-Y159 AromaticContact CE1-CG 3.85Å; F96-Y159 HydrophobicContact CE1-CG 3.85Å; F96-Y159 HydrophobicContact CZ-CD1 4.47Å; F96-Y159 HydrophobicContact CZ-CG 4.5Å; S110-Y159 WeakPolarHBondContact CA-O 3.24Å; F111-Y159 PolarHBondContact N-O 3.38Å; F111-Y159 WeakPolarHBondContact O-CD2 3.48Å; F111-Y159 PolarHBondContact O-N 3.09Å; L114-Y159 HydrophobicContact CD1-CE1 4.31Å; L114-Y159 HydrophobicContact CD2-CD1 3.88Å; L114-Y159 HydrophobicContact CD2-CD2 4.47Å; L114-Y159 HydrophobicContact CD2-CE1 3.56Å; L114-Y159 HydrophobicContact CD2-CE2 4.21Å; L114-Y159 HydrophobicContact CD2-CG 4.34Å; L114-Y159 HydrophobicContact CG-CE1 4.01Å; L114-Y159 HydrophobicContact CG-CE2 4.21Å; T135-Y159 HydrophobicContact CG2-CD1 4.03Å; T135-Y159 HydrophobicContact CG2-CE1 4.37Å; L147-Y159 HydrophobicContact CD1-CD1 4.02Å; L147-Y159 HydrophobicContact CD1-CD2 4.17Å; L147-Y159 HydrophobicContact CD1-CE1 3.84Å; L147-Y159 HydrophobicContact CD1-CE2 3.99Å; L147-Y159 HydrophobicContact CD1-CG 4.17Å; L147-Y159 HydrophobicContact CD2-CE1 4.46Å; K157-Y159 HydrophobicContact CB-CE2 4.11Å
160	C	98.6	Very high	98.2	Very high	16 Å²	16	46.6 Å²	46.6	11%	0.108	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	102.7	178.3	-171	0	0	0	0	108.6	G145 H146 F148 R158	G145-C160 WeakPolarHBondContact CA-O 3.33Å; H146-C160 PolarHBondContact N-O 3.44Å; H146-C160 PolarHBondContact O-N 3.46Å; F148-C160 HydrophobicContact CD2-CB 3.82Å; F148-C160 HydrophobicContact CE2-CB 3.62Å; R158-C160 PolarHBondContact O-N 2.57Å
161	I	98.9	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.7	-164.1	-54.4	-58	0	0	0	110.5	F96 P109 F111 L144 S163 L166	F96-I161 HydrophobicContact CE1-CG1 4.39Å; F96-I161 HydrophobicContact CE2-CD1 4.26Å; F96-I161 HydrophobicContact CE2-CG1 3.84Å; F96-I161 HydrophobicContact CE2-CG2 4.37Å; F96-I161 HydrophobicContact CZ-CD1 3.78Å; F96-I161 HydrophobicContact CZ-CG1 3.63Å; P109-I161 WeakPolarHBondContact CD-O 3.06Å; P109-I161 WeakPolarHBondContact CG-O 3.42Å; P109-I161 PolarHBondContact O-N 3.42Å; F111-I161 HydrophobicContact CD2-CG1 4.17Å; F111-I161 HydrophobicContact CE2-CB 4.49Å; F111-I161 HydrophobicContact CE2-CG1 4.5Å; L144-I161 HydrophobicContact CB-CD1 4.03Å; L144-I161 HydrophobicContact CB-CG2 4.16Å; I161-S163 PolarHBondContact O-N 3.2Å; I161-L166 HydrophobicContact CB-CD1 4.48Å; I161-L166 HydrophobicContact CG2-CD1 3.84Å; I161-L166 HydrophobicContact CG2-CD2 3.97Å; I161-L166 HydrophobicContact CG2-CG 3.9Å
162	N	98.9	Very high	97.2	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	27%	0.27	C	S	.	.			trans	-65.1	129	171.3	-66.5	-87.4	0	0	0	109.8	V63 T69 E70 L144 A164 S165	V63-N162 HydrophobicContact CG1-CB 3.55Å; T69-N162 WeakPolarHBondContact CA-OD1 3.12Å; E70-N162 HydrophobicContact CG-CB 4.42Å; E70-N162 PolarHBondContact N-OD1 3.26Å; L144-N162 WeakPolarHBondContact O-CB 3.46Å; L144-N162 PolarHBondContact O-N 3.39Å; L144-N162 PolarHBondContact O-ND2 3.48Å; N162-A164 PolarHBondContact O-N 2.86Å; N162-S165 WeakPolarHBondContact O-CB 3.21Å; N162-S165 PolarHBondContact O-N 3.42Å
163	S	98.8	Very high	95.8	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.042	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-57.6	-37	171.6	-174.7	0	0	0	0	111.2	E70 E76 F77 I161 S165 L166	E70-S163 WeakPolarHBondContact OE1-CA 3.43Å; E70-S163 WeakPolarHBondContact OE1-CB 3.48Å; E70-S163 PolarHBondContact OE1-N 3.2Å; E76-S163 PolarHBondContact N-OG 2.73Å; F77-S163 WeakPolarHBondContact CB-OG 3.1Å; F77-S163 VanDerWaalsContact CD2-OG 3.22Å; F77-S163 WeakPolarHBondContact CD2-OG 3.25Å; F77-S163 PolarHBondContact N-OG 3.06Å; I161-S163 PolarHBondContact O-N 3.2Å; S163-S165 PolarHBondContact O-N 2.6Å; S163-S165 VanDerWaalsContact O-N 3.09Å; S163-L166 PolarHBondContact O-N 2.81Å
164	A	98.8	Very high	94	Very high	10 Å²	10	47.7 Å²	47.7	8%	0.083	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-64.7	-7.1	176.3	0	0	0	0	0	114.3	K59 Q60 V63 N162	K59-A164 HydrophobicContact CD-CB 4.31Å; K59-A164 HydrophobicContact CG-CB 4.28Å; Q60-A164 HydrophobicContact CG-CB 4.37Å; Q60-A164 VanDerWaalsContact CG-O 3.28Å; Q60-A164 WeakPolarHBondContact CG-O 3.32Å; V63-A164 HydrophobicContact CB-CB 4.27Å; V63-A164 HydrophobicContact CG1-CB 4.48Å; V63-A164 HydrophobicContact CG2-CB 4.05Å; N162-A164 PolarHBondContact O-N 2.86Å
165	S	98.8	Very high	92	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-96.5	-4.6	172.1	-62.2	0	0	0	0	113.3	V63 V89 H143 N162 S163	V63-S165 WeakPolarHBondContact CG1-OG 3.2Å; V89-S165 WeakPolarHBondContact CG1-O 3.33Å; V89-S165 PolarHBondContact N-O 3.35Å; H143-S165 PolarHBondContact O-OG 2.82Å; N162-S165 WeakPolarHBondContact O-CB 3.21Å; N162-S165 PolarHBondContact O-N 3.42Å; S163-S165 PolarHBondContact O-N 2.6Å; S163-S165 VanDerWaalsContact O-N 3.09Å
166	L	98.9	Very high	89.8	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	149.1	-171.6	-59.6	177	0	0	0	111.9	F77 Y86 H87 L95 F96 P109 F111 I161 S163	F77-L166 HydrophobicContact CD2-CB 3.94Å; F77-L166 HydrophobicContact CE2-CB 4.22Å; Y86-L166 HydrophobicContact CD1-CB 4.41Å; Y86-L166 HydrophobicContact CD1-CD1 4.01Å; Y86-L166 HydrophobicContact CG-CD1 4.43Å; H87-L166 CarbonylContact O-C 3.53Å; H87-L166 VanDerWaalsContact O-CA 3.3Å; H87-L166 WeakPolarHBondContact O-CA 3.15Å; L95-L166 HydrophobicContact CD1-CD2 3.85Å; F96-L166 HydrophobicContact CD2-CD2 4.25Å; F96-L166 HydrophobicContact CE2-CD2 4.31Å; P109-L166 HydrophobicContact CB-CD1 4.46Å; F111-L166 HydrophobicContact CE2-CD1 4.05Å; F111-L166 HydrophobicContact CZ-CD1 4.26Å; I161-L166 HydrophobicContact CB-CD1 4.48Å; I161-L166 HydrophobicContact CG2-CD1 3.84Å; I161-L166 HydrophobicContact CG2-CD2 3.97Å; I161-L166 HydrophobicContact CG2-CG 3.9Å; S163-L166 PolarHBondContact O-N 2.81Å
167	A	98.6	Very high	87.4	Confident	39 Å²	39	62.3 Å²	62.3	32%	0.322	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.9	158.8	0	0	0	0	0	107.8	Y86 H87	Y86-A167 CarbonylContact C-O 3.5Å; Y86-A167 WeakPolarHBondContact CA-O 3.47Å; H87-A167 PolarHBondContact N-O 2.92Å; H87-A167 PolarHBondContact O-N 2.86Å
168	F	98.7	Very high	85.1	Confident	48 Å²	48	63.2 Å²	63.2	21%	0.211	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.2	-178	-178.7	-103.9	0	0	0	111.4	F77 H80 D82 E83 T85 Y86 A170	F77-F168 HydrophobicContact CD1-CB 4.43Å; F77-F168 HydrophobicContact CE1-CB 3.67Å; F77-F168 HydrophobicContact CE1-CG 4.47Å; F77-F168 HydrophobicContact CE2-CB 4.48Å; F77-F168 HydrophobicContact CZ-CB 3.7Å; H80-F168 AromaticContact CE1-CD1 3.63Å; H80-F168 AromaticContact CE1-CD2 3.89Å; H80-F168 AromaticContact CE1-CE1 3.44Å; H80-F168 VanDerWaalsContact CE1-CE1 3.44Å; H80-F168 WeakPolarHBondContact CE1-CE1 3.49Å; H80-F168 AromaticContact CE1-CE2 3.7Å; H80-F168 AromaticContact CE1-CG 3.85Å; H80-F168 AromaticContact CE1-CZ 3.48Å; H80-F168 VanDerWaalsContact CE1-CZ 3.48Å; H80-F168 WeakPolarHBondContact CE1-CZ 3.48Å; H80-F168 AromaticContact NE2-CD1 3.77Å; H80-F168 AromaticContact NE2-CE1 3.82Å; D82-F168 HydrophobicContact CB-CE1 4.1Å; D82-F168 HydrophobicContact CB-CZ 4.12Å; D82-F168 VanDerWaalsContact O-CZ 3.3Å; D82-F168 WeakPolarHBondContact O-CZ 3.19Å; E83-F168 WeakPolarHBondContact O-CZ 3.23Å; T85-F168 WeakPolarHBondContact O-CD2 3.25Å; Y86-F168 HydrophobicContact CD1-CB 4.38Å; Y86-F168 AromaticContact CD1-CD2 3.83Å; Y86-F168 HydrophobicContact CD1-CD2 3.83Å; Y86-F168 HydrophobicContact CD2-CD2 4.2Å; Y86-F168 HydrophobicContact CD2-CE2 4.43Å; Y86-F168 HydrophobicContact CE1-CB 4.38Å; Y86-F168 AromaticContact CE1-CD2 3.61Å; Y86-F168 HydrophobicContact CE1-CD2 3.61Å; Y86-F168 HydrophobicContact CE1-CE2 4.33Å; Y86-F168 HydrophobicContact CE1-CG 4.33Å; Y86-F168 HydrophobicContact CE2-CD2 4.01Å; Y86-F168 HydrophobicContact CE2-CE2 4.02Å; Y86-F168 HydrophobicContact CG-CD2 4.13Å; Y86-F168 AromaticContact CZ-CD2 3.72Å; Y86-F168 AromaticContact CZ-CE2 3.98Å; F168-A170 HydrophobicContact CE1-CB 3.94Å
169	Q	98.3	Very high	82.8	Confident	124 Å²	124	68.1 Å²	68.1	58%	0.579	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.6	171.9	-179.5	175.3	-15.6	0	0	108.5	G84 T85	G84-Q169 CarbonylContact C-O 3.52Å; G84-Q169 VanDerWaalsContact CA-O 3.25Å; G84-Q169 WeakPolarHBondContact CA-O 3.44Å; T85-Q169 PolarHBondContact N-O 3.33Å; T85-Q169 PolarHBondContact O-N 2.87Å
170	A	97.6	Very high	80.4	Confident	64 Å²	64	71.8 Å²	71.8	53%	0.529	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	145.6	178.5	0	0	0	0	0	111.5	E83 F168 G172	E83-A170 WeakPolarHBondContact O-CA 3.22Å; F168-A170 HydrophobicContact CE1-CB 3.94Å; A170-G172 PolarHBondContact O-N 3.18Å
171	A	92.3	Very high	77.8	Confident	54 Å²	54	76.5 Å²	76.5	45%	0.446	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-61	129.8	171.9	0	0	0	0	0	109.7	E83	E83-A171 HydrophobicContact CB-CB 4.32Å; E83-A171 PolarHBondContact O-N 3.16Å
172	G	83.2	Confident	75.1	Confident	35 Å²	35	82.7 Å²	82.7	36%	0.361	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-67.1	156	174.7	0	0	0	0	0	111.1	A170 D174 E175	A170-G172 PolarHBondContact O-N 3.18Å; G172-D174 PolarHBondContact O-N 3.42Å; G172-E175 PolarHBondContact O-N 3.03Å
173	P	68	Low	72.1	Confident	150 Å²	150	86.5 Å²	86.5	97%	0.974	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-4.4	-179.3	22.4	-31.5	0	0	0	115.4
174	D	58	Low	69.5	Low	143 Å²	143	91.4 Å²	91.4	77%	0.765	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-4.4	-175.2	-141.8	-13.1	0	0	0	114.3	G172 G176	G172-D174 PolarHBondContact O-N 3.42Å; D174-G176 VanDerWaalsContact C-N 3.28Å; D174-G176 PolarHBondContact O-N 3.38Å
175	E	54.7	Low	66.9	Low	173 Å²	173	95.8 Å²	95.8	81%	0.808	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	19.2	-176.9	-60.3	-157.6	145.1	0	0	113.8	G172	G172-E175 PolarHBondContact O-N 3.03Å
176	G	50.9	Low	64.5	Low	81 Å²	81	102.1 Å²	102.1	84%	0.835	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	6.8	-179.3	0	0	0	0	0	115.5	D174	D174-G176 VanDerWaalsContact C-N 3.28Å; D174-G176 PolarHBondContact O-N 3.38Å
177	R	48	Very low	62	Low	237 Å²	237	108 Å²	108	89%	0.894	73%	0.726	S	S	*	*			trans	-131.7	60.3	-175.1	-157.2	175.9	-176.1	-175.7	0.7	113.4
178	A	50.4	Low	59.6	Low	93 Å²	93	110 Å²	110	77%	0.769	75%	0.749	S	S	*	*			trans	-134.2	100.1	164.4	0	0	0	0	0	111
179	S	50.7	Low	57.5	Low	127 Å²	127	117.7 Å²	117.7	89%	0.888	78%	0.783	S	S	*	*	S	Bend	trans	134.1	59.1	151.8	68.4	0	0	0	0	115.5
180	A	48.3	Very low	55.6	Low	99 Å²	99	114.6 Å²	114.6	82%	0.818	78%	0.784	S	S	*	*	S	Bend	trans	-150.9	69	154.9	0	0	0	0	0	111.2
181	S	43.3	Very low	53.5	Low	115 Å²	115	119.1 Å²	119.1	80%	0.804	80%	0.8	S	S	*	*			trans	-176.4	107.8	153.5	56.4	0	0	0	0	112.2
182	S	42.4	Very low	51.4	Low	130 Å²	130	128.5 Å²	128.5	91%	0.909	84%	0.841	S	S	*	*			trans	-174.7	101.6	137.5	41.3	0	0	0	0	110.4
183	G	35.9	Very low	49.8	Very low	85 Å²	85	133.2 Å²	133.2	88%	0.876	87%	0.865	S	S	*	*			trans	-177.3	31	175	0	0	0	0	0	114.5
184	A	43.7	Very low	48.8	Very low	108 Å²	108	132.3 Å²	132.3	89%	0.893	86%	0.859	S	S	*	*			trans	-117	99	166.1	0	0	0	0	0	107.8
185	A	44.6	Very low	48.3	Very low	102 Å²	102	131.7 Å²	131.7	84%	0.843	86%	0.864	S	S	*	*			trans	-132.6	117.6	165.9	0	0	0	0	0	108.7
186	T	47	Very low	47.9	Very low	133 Å²	133	129.3 Å²	129.3	82%	0.816	87%	0.868	S	S	*	*			trans	-62.5	148.5	-178.4	46.2	0	0	0	0	114
187	S	46.8	Very low	47.7	Very low	129 Å²	129	132.3 Å²	132.3	90%	0.902	87%	0.87	S	S	*	*			trans	-145.4	94.4	149.2	-78	0	0	0	0	109.3
188	G	47.8	Very low	47.7	Very low	79 Å²	79	125.3 Å²	125.3	81%	0.814	87%	0.868	S	S	*	*			trans	-80	136.1	157.2	0	0	0	0	0	108.7
189	K	55.8	Low	47.5	Very low	211 Å²	211	127.6 Å²	127.6	92%	0.917	88%	0.875	S	S	*	*			trans	-138.8	103.5	166.1	-158.6	165.8	-177.1	176.3	0	107.5
190	G	57.6	Low	47.3	Very low	59 Å²	59	127.7 Å²	127.7	61%	0.608	87%	0.874	S	S	*	*			trans	-98	151.9	166.6	0	0	0	0	0	110.6
191	D	55.1	Low	47.2	Very low	159 Å²	159	130.1 Å²	130.1	85%	0.85	88%	0.879	S	S	*	*			trans	78.4	99.9	150.6	-46.3	-38.9	0	0	0	119.7
192	L	46.3	Very low	47.6	Very low	251 Å²	251	131.5 Å²	131.5	100%	1.314	89%	0.886	S	S	*	*				-172.6	0	107.7	-98.9	152.4	0	0	0	111.1

Retrieved 192 of 192 residues in 112.2 ms (Link to these results)

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