MYL9_PONAB Loading...

Myosin regulatory light polypeptide 9

Myosin regulatory subunit that plays an important role in regulation of both smooth muscle and nonmuscle cell contractile activity via its phosphorylation. Implicated in cytokinesis, receptor capping, and cell locomotion (By similarity). In myoblasts, may regulate PIEZO1-dependent cortical actomyosin assembly involved in myotube formation (By similarity).

AlphaFold DB , UniProt , Accession Q5RBA4, Species PONAB (Pongo abelii, Sumatran orangutan), Gene MYL9, Length 172 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	40.9	Very low	44.8	Very low	240 Å²	240	161.2 Å²	161.2	100%	1.182	87%	0.865	S	S	*	*				0	128.2	0	-83.2	-71.3	-165.9	0	0	108.6
2	S	45.8	Very low	44.8	Very low	120 Å²	120	164.1 Å²	164.1	84%	0.839	86%	0.864	S	S	*	*			trans	66.9	136.3	166.3	-100.6	0	0	0	0	118
3	S	46.8	Very low	44.1	Very low	109 Å²	109	167.1 Å²	167.1	76%	0.762	87%	0.865	S	S	*	*			cis	-150.9	138.8	27	-67.3	0	0	0	0	112.6
4	K	44.5	Very low	43.8	Very low	209 Å²	209	170.7 Å²	170.7	91%	0.909	86%	0.862	S	S	*	*			trans	-67.6	139.3	162.8	-70.7	172.7	175.1	175.4	0	109.9
5	R	48.3	Very low	43.8	Very low	248 Å²	248	167.5 Å²	167.5	94%	0.936	86%	0.858	S	S	*	*			trans	-147.5	99.1	149.4	-129.9	176.1	176.7	-164.6	-1.7	109.5	K7	R5-K7 PolarHBondContact O-N 2.96Å
6	A	45.5	Very low	43.8	Very low	101 Å²	101	168.7 Å²	168.7	84%	0.835	86%	0.859	S	S	*	*			trans	-67.7	117.6	169.9	0	0	0	0	0	108.5	A8	A6-A8 PolarHBondContact O-N 3.02Å
7	K	46.2	Very low	43.8	Very low	205 Å²	205	171.1 Å²	171.1	89%	0.891	86%	0.855	S	S	*	*			trans	-72.6	105.5	168.1	-90.6	-179.9	173.6	175.5	0	107.9	R5 K9	R5-K7 PolarHBondContact O-N 2.96Å; K7-K9 PolarHBondContact O-N 3.03Å; K7-K9 VanDerWaalsContact O-N 3.13Å
8	A	43.8	Very low	44.3	Very low	90 Å²	90	166 Å²	166	74%	0.744	84%	0.844	S	S	*	*			trans	-57.8	112.5	164.7	0	0	0	0	0	108.4	A6 T10	A6-A8 PolarHBondContact O-N 3.02Å; A8-T10 PolarHBondContact O-N 3.3Å; A8-T10 VanDerWaalsContact O-N 3.14Å
9	K	43.4	Very low	44.7	Very low	196 Å²	196	160.2 Å²	160.2	85%	0.852	82%	0.817	S	S	*	*			trans	-74.7	97.3	168.3	-74.2	-178.4	176.6	179.8	0	106.9	K7 T11	K7-K9 PolarHBondContact O-N 3.03Å; K7-K9 VanDerWaalsContact O-N 3.13Å; K9-T11 PolarHBondContact O-N 3.39Å
10	T	43.9	Very low	45.3	Very low	127 Å²	127	156.6 Å²	156.6	78%	0.779	81%	0.807	S	S	*	*			trans	-63.6	102.8	164.5	37.8	0	0	0	0	107.6	A8 K12	A8-T10 PolarHBondContact O-N 3.3Å; A8-T10 VanDerWaalsContact O-N 3.14Å; T10-K12 VanDerWaalsContact C-N 3.26Å; T10-K12 PolarHBondContact O-N 2.72Å
11	T	44.2	Very low	46.5	Very low	128 Å²	128	154.7 Å²	154.7	79%	0.785	80%	0.799	S	S	*	*			trans	-65.9	91	166.3	37	0	0	0	0	107.3	K9 K13	K9-T11 PolarHBondContact O-N 3.39Å; T11-K13 PolarHBondContact O-N 3.22Å
12	K	44	Very low	48.2	Very low	196 Å²	196	143.5 Å²	143.5	85%	0.852	74%	0.743	S	S	*	*			trans	-51.2	111.4	164.1	-101.4	-174.7	174.9	-176.9	0	106.3	T10 R14	T10-K12 VanDerWaalsContact C-N 3.26Å; T10-K12 PolarHBondContact O-N 2.72Å; K12-R14 PolarHBondContact O-N 2.93Å
13	K	36.5	Very low	49.8	Very low	203 Å²	203	142 Å²	142	88%	0.883	72%	0.722	S	S	*	*			trans	-52.9	112.9	170.3	-73.7	-175.5	176.2	-178.5	0	106	T11	T11-K13 PolarHBondContact O-N 3.22Å
14	R	39.2	Very low	51.4	Low	218 Å²	218	141.1 Å²	141.1	82%	0.823	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-57.6	127.5	172.1	-83.5	176.1	155	179.1	-7.9	106.6	K12 Q16	K12-R14 PolarHBondContact O-N 2.93Å; R14-Q16 PolarHBondContact O-N 3.44Å
15	P	44.3	Very low	52.9	Low	122 Å²	122	135.7 Å²	135.7	79%	0.792	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-54.1	131.8	172.2	21.6	-29.5	0	0	0	107.7
16	Q	44.2	Very low	54.6	Low	187 Å²	187	124.6 Å²	124.6	87%	0.874	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-52.8	142.2	-176.2	-84.3	-179.8	-75.4	0	0	110	R14 A18	R14-Q16 PolarHBondContact O-N 3.44Å; Q16-A18 PolarHBondContact O-N 3.1Å
17	R	43.8	Very low	56.5	Low	210 Å²	210	123.7 Å²	123.7	79%	0.792	64%	0.64	S	S	*	*	S	Bend	trans	-67.2	53.4	-177.3	-65.8	174	166.3	176.7	-7	113	T19	R17-T19 PolarHBondContact O-N 2.97Å
18	A	51.9	Low	58.4	Low	79 Å²	79	122.1 Å²	122.1	65%	0.653	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-64.8	-24.9	168.9	0	0	0	0	0	111.2	Q16 S20	Q16-A18 PolarHBondContact O-N 3.1Å; A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 3.16Å
19	T	53	Low	60.5	Low	55 Å²	55	121.2 Å²	121.2	34%	0.337	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-73.8	-13.2	-176	60.4	0	0	0	0	115.4	R17 N21 V22 T84	R17-T19 PolarHBondContact O-N 2.97Å; T19-N21 PolarHBondContact O-N 3.19Å; T19-V22 WeakPolarHBondContact O-CG1 3.34Å; T19-V22 PolarHBondContact O-N 3.3Å; T19-T84 HydrophobicContact CG2-CG2 3.94Å
20	S	55.6	Low	62.6	Low	89 Å²	89	115.2 Å²	115.2	62%	0.622	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-66	-20.4	-161.8	-164.7	0	0	0	0	114.8	A18	A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 3.16Å
21	N	70.3	Confident	64.9	Low	117 Å²	117	110.9 Å²	110.9	63%	0.626	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-120.9	7.9	-177.7	-70.8	-8.8	0	0	0	113.9	T19 F23 A24	T19-N21 PolarHBondContact O-N 3.19Å; N21-F23 PolarHBondContact O-N 3.08Å; N21-A24 WeakPolarHBondContact O-CB 3.41Å; N21-A24 PolarHBondContact O-N 3Å
22	V	76.8	Confident	67.2	Low	4 Å²	4	109.1 Å²	109.1	2%	0.024	55%	0.554	C	S	.	*	G	3₁₀ helix	trans	-61.4	-35.2	-177.3	70.9	0	0	0	0	112.3	T19 A24 M25 F26 T84 L87	T19-V22 WeakPolarHBondContact O-CG1 3.34Å; T19-V22 PolarHBondContact O-N 3.3Å; V22-A24 PolarHBondContact O-N 2.98Å; V22-M25 HydrophobicContact CG2-SD 4.39Å; V22-M25 VanDerWaalsContact O-CB 3.24Å; V22-M25 WeakPolarHBondContact O-CB 3.45Å; V22-M25 PolarHBondContact O-N 3.37Å; V22-F26 HydrophobicContact CG2-CE2 4.18Å; V22-T84 HydrophobicContact CG1-CG2 4.1Å; V22-L87 HydrophobicContact CG1-CB 4.27Å; V22-L87 HydrophobicContact CG2-CB 3.92Å; V22-L87 VanDerWaalsContact CG2-O 3.29Å; V22-L87 WeakPolarHBondContact CG2-O 3.37Å
23	F	80	Confident	69.5	Low	90 Å²	90	106.1 Å²	106.1	40%	0.395	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-65.4	-21.2	175.9	-73.1	-85.9	0	0	0	113.8	N21 M25 I31 F83 T84 L87	N21-F23 PolarHBondContact O-N 3.08Å; F23-M25 VanDerWaalsContact C-N 3.26Å; F23-I31 HydrophobicContact CD1-CD1 4.16Å; F23-F83 HydrophobicContact CE1-CD1 4.45Å; F23-F83 HydrophobicContact CE1-CE1 4.04Å; F23-F83 HydrophobicContact CZ-CD1 4.34Å; F23-F83 HydrophobicContact CZ-CE1 4.37Å; F23-T84 HydrophobicContact CE2-CG2 4.16Å; F23-L87 HydrophobicContact CD1-CD1 3.74Å; F23-L87 HydrophobicContact CE1-CD1 3.36Å; F23-L87 HydrophobicContact CE2-CD1 4.35Å; F23-L87 HydrophobicContact CG-CD1 4.39Å; F23-L87 HydrophobicContact CZ-CD1 3.7Å
24	A	80.7	Confident	72.2	Confident	90 Å²	90	97.8 Å²	97.8	74%	0.744	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-79.6	-11.7	176.1	0	0	0	0	0	112.5	N21 V22 F26	N21-A24 WeakPolarHBondContact O-CB 3.41Å; N21-A24 PolarHBondContact O-N 3Å; V22-A24 PolarHBondContact O-N 2.98Å; A24-F26 VanDerWaalsContact C-N 3.31Å
25	M	75.6	Confident	74.8	Confident	94 Å²	94	92 Å²	92	46%	0.463	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-79.4	-16	178.8	-67.4	-176.5	175.4	0	0	113.5	V22 F23 N95	V22-M25 HydrophobicContact CG2-SD 4.39Å; V22-M25 VanDerWaalsContact O-CB 3.24Å; V22-M25 WeakPolarHBondContact O-CB 3.45Å; V22-M25 PolarHBondContact O-N 3.37Å; F23-M25 VanDerWaalsContact C-N 3.26Å; M25-N95 WeakPolarHBondContact CB-ND2 3.39Å; M25-N95 HydrophobicContact SD-CB 4.39Å
26	F	83.1	Confident	77.3	Confident	15 Å²	15	91.5 Å²	91.5	7%	0.066	47%	0.474	C	S	.	.	S	Bend	trans	-127.1	143.8	-172.2	-60.7	-66.7	0	0	0	110.3	V22 A24 Q30 I31 F34 L87 F90 G91 L94	V22-F26 HydrophobicContact CG2-CE2 4.18Å; A24-F26 VanDerWaalsContact C-N 3.31Å; F26-Q30 HydrophobicContact CB-CB 4.09Å; F26-Q30 HydrophobicContact CD1-CB 4.35Å; F26-I31 HydrophobicContact CB-CD1 4.28Å; F26-I31 HydrophobicContact CB-CG1 3.73Å; F26-F34 HydrophobicContact CD1-CD2 4.47Å; F26-F34 AromaticContact CD1-CE2 3.59Å; F26-F34 HydrophobicContact CD1-CE2 3.59Å; F26-F34 HydrophobicContact CD1-CZ 4.36Å; F26-F34 HydrophobicContact CD2-CE2 4.43Å; F26-F34 AromaticContact CE1-CE2 3.54Å; F26-F34 HydrophobicContact CE1-CE2 3.54Å; F26-F34 AromaticContact CE1-CZ 3.92Å; F26-F34 HydrophobicContact CE1-CZ 3.92Å; F26-F34 HydrophobicContact CE2-CE2 4.39Å; F26-F34 HydrophobicContact CG-CD2 4.5Å; F26-F34 HydrophobicContact CG-CE2 4.02Å; F26-F34 AromaticContact CZ-CE2 3.94Å; F26-F34 HydrophobicContact CZ-CE2 3.94Å; F26-F34 HydrophobicContact CZ-CZ 4.26Å; F26-L87 HydrophobicContact CD2-CD2 4.38Å; F26-L87 HydrophobicContact CE2-CB 4.43Å; F26-L87 HydrophobicContact CE2-CD2 4.38Å; F26-F90 HydrophobicContact CZ-CB 4.46Å; F26-G91 VanDerWaalsContact CZ-CA 3.5Å; F26-L94 HydrophobicContact CE1-CD1 3.72Å; F26-L94 HydrophobicContact CZ-CD1 4.19Å
27	D	85.4	Confident	79.6	Confident	83 Å²	83	84.4 Å²	84.4	44%	0.444	45%	0.447	S	S	.	.			trans	-75.6	171.9	169.6	69.7	41.5	0	0	0	111.8	S29 Q30 I31	D27-S29 VanDerWaalsContact C-N 3.3Å; D27-S29 VanDerWaalsContact CG-OG 3.31Å; D27-S29 PolarHBondContact O-N 2.76Å; D27-S29 WeakPolarHBondContact OD1-CA 3.44Å; D27-S29 WeakPolarHBondContact OD1-CB 3.5Å; D27-S29 PolarHBondContact OD1-N 3.08Å; D27-S29 PolarHBondContact OD1-OG 3.49Å; D27-Q30 PolarHBondContact O-N 2.95Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.41Å; D27-Q30 PolarHBondContact OD1-N 3.48Å; D27-I31 WeakPolarHBondContact O-CD1 3.49Å; D27-I31 VanDerWaalsContact O-CG1 3.25Å; D27-I31 WeakPolarHBondContact O-CG1 3.21Å; D27-I31 PolarHBondContact O-N 3.2Å
28	Q	87.5	Confident	82.1	Confident	172 Å²	172	74.7 Å²	74.7	80%	0.804	41%	0.411	S	S	*	.	H	α-helix	trans	-65	-31.9	-177.1	-71.8	-172.4	-26.7	0	0	113.4	Q32	Q28-Q32 WeakPolarHBondContact O-CB 3.43Å; Q28-Q32 PolarHBondContact O-N 2.6Å; Q28-Q32 VanDerWaalsContact O-N 3.08Å
29	S	88.1	Confident	84.2	Confident	70 Å²	70	75.2 Å²	75.2	49%	0.49	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-48.9	175.8	21.4	0	0	0	0	111	D27 I31 Q32 E33	D27-S29 VanDerWaalsContact C-N 3.3Å; D27-S29 VanDerWaalsContact CG-OG 3.31Å; D27-S29 PolarHBondContact O-N 2.76Å; D27-S29 WeakPolarHBondContact OD1-CA 3.44Å; D27-S29 WeakPolarHBondContact OD1-CB 3.5Å; D27-S29 PolarHBondContact OD1-N 3.08Å; D27-S29 PolarHBondContact OD1-OG 3.49Å; S29-I31 PolarHBondContact O-N 3.4Å; S29-Q32 WeakPolarHBondContact O-CB 3.32Å; S29-Q32 PolarHBondContact O-N 2.88Å; S29-Q32 VanDerWaalsContact O-N 3.1Å; S29-E33 PolarHBondContact O-N 3.37Å
30	Q	87.2	Confident	86.1	Confident	70 Å²	70	78.7 Å²	78.7	33%	0.327	42%	0.417	S	S	.	.	H	α-helix	trans	-59.7	-45.6	176.8	-69.3	176.9	-47	0	0	111.1	F26 D27 Q32 E33 F34	F26-Q30 HydrophobicContact CB-CB 4.09Å; F26-Q30 HydrophobicContact CD1-CB 4.35Å; D27-Q30 PolarHBondContact O-N 2.95Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.41Å; D27-Q30 PolarHBondContact OD1-N 3.48Å; Q30-Q32 PolarHBondContact O-N 2.96Å; Q30-E33 PolarHBondContact O-N 3.08Å; Q30-F34 HydrophobicContact CB-CD2 4.41Å; Q30-F34 HydrophobicContact CB-CE2 4.12Å; Q30-F34 WeakPolarHBondContact O-CD2 3.12Å; Q30-F34 WeakPolarHBondContact O-CG 3.4Å; Q30-F34 PolarHBondContact O-N 2.9Å
31	I	91	Very high	88	Confident	37 Å²	37	75.6 Å²	75.6	19%	0.19	39%	0.393	C	S	.	.	H	α-helix	trans	-58.7	-39.5	176.5	-68.3	164.5	0	0	0	111	F23 F26 D27 S29 K35 F83	F23-I31 HydrophobicContact CD1-CD1 4.16Å; F26-I31 HydrophobicContact CB-CD1 4.28Å; F26-I31 HydrophobicContact CB-CG1 3.73Å; D27-I31 WeakPolarHBondContact O-CD1 3.49Å; D27-I31 VanDerWaalsContact O-CG1 3.25Å; D27-I31 WeakPolarHBondContact O-CG1 3.21Å; D27-I31 PolarHBondContact O-N 3.2Å; S29-I31 PolarHBondContact O-N 3.4Å; I31-K35 WeakPolarHBondContact O-CB 3.42Å; I31-K35 PolarHBondContact O-N 2.78Å; I31-F83 HydrophobicContact CG2-CE1 4.39Å; I31-F83 HydrophobicContact CG2-CZ 4.34Å
32	Q	92.6	Very high	89.3	Confident	91 Å²	91	70.3 Å²	70.3	43%	0.425	36%	0.364	S	S	.	.	H	α-helix	trans	-68.4	-42.5	178.5	-177.4	56.2	40.1	0	0	111.7	Q28 S29 Q30 K35 E36	Q28-Q32 WeakPolarHBondContact O-CB 3.43Å; Q28-Q32 PolarHBondContact O-N 2.6Å; Q28-Q32 VanDerWaalsContact O-N 3.08Å; S29-Q32 WeakPolarHBondContact O-CB 3.32Å; S29-Q32 PolarHBondContact O-N 2.88Å; S29-Q32 VanDerWaalsContact O-N 3.1Å; Q30-Q32 PolarHBondContact O-N 2.96Å; Q32-K35 WeakPolarHBondContact O-CB 3.25Å; Q32-K35 PolarHBondContact O-N 3.09Å; Q32-E36 PolarHBondContact NE2-OE1 3.23Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 3.48Å
33	E	93	Very high	90	Very high	132 Å²	132	75 Å²	75	62%	0.617	39%	0.386	S	S	*	.	H	α-helix	trans	-61.2	-46.4	173.9	-71.2	177	-171.1	0	0	111.7	S29 Q30 K35 E36 A37	S29-E33 PolarHBondContact O-N 3.37Å; Q30-E33 PolarHBondContact O-N 3.08Å; E33-K35 PolarHBondContact O-N 3.27Å; E33-E36 PolarHBondContact O-N 2.89Å; E33-E36 VanDerWaalsContact O-N 3.16Å; E33-A37 PolarHBondContact O-N 3.31Å
34	F	93.3	Very high	90.7	Very high	29 Å²	29	74.7 Å²	74.7	13%	0.127	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-35.2	175.4	-72.2	-55.2	0	0	0	112.1	F26 Q30 A37 F38 F83 F86 L87 F90 L94	F26-F34 HydrophobicContact CD1-CD2 4.47Å; F26-F34 AromaticContact CD1-CE2 3.59Å; F26-F34 HydrophobicContact CD1-CE2 3.59Å; F26-F34 HydrophobicContact CD1-CZ 4.36Å; F26-F34 HydrophobicContact CD2-CE2 4.43Å; F26-F34 AromaticContact CE1-CE2 3.54Å; F26-F34 HydrophobicContact CE1-CE2 3.54Å; F26-F34 AromaticContact CE1-CZ 3.92Å; F26-F34 HydrophobicContact CE1-CZ 3.92Å; F26-F34 HydrophobicContact CE2-CE2 4.39Å; F26-F34 HydrophobicContact CG-CD2 4.5Å; F26-F34 HydrophobicContact CG-CE2 4.02Å; F26-F34 AromaticContact CZ-CE2 3.94Å; F26-F34 HydrophobicContact CZ-CE2 3.94Å; F26-F34 HydrophobicContact CZ-CZ 4.26Å; Q30-F34 HydrophobicContact CB-CD2 4.41Å; Q30-F34 HydrophobicContact CB-CE2 4.12Å; Q30-F34 WeakPolarHBondContact O-CD2 3.12Å; Q30-F34 WeakPolarHBondContact O-CG 3.4Å; Q30-F34 PolarHBondContact O-N 2.9Å; F34-A37 PolarHBondContact O-N 2.94Å; F34-F38 VanDerWaalsContact O-CB 3.3Å; F34-F38 WeakPolarHBondContact O-CB 3.49Å; F34-F38 PolarHBondContact O-N 2.65Å; F34-F83 HydrophobicContact CB-CE2 4.09Å; F34-F83 HydrophobicContact CB-CZ 4.32Å; F34-F86 HydrophobicContact CB-CE1 4.32Å; F34-F86 HydrophobicContact CD1-CE1 4.2Å; F34-L87 HydrophobicContact CB-CD2 3.51Å; F34-L87 HydrophobicContact CD2-CD2 3.53Å; F34-L87 HydrophobicContact CE2-CD2 4.42Å; F34-L87 HydrophobicContact CG-CD2 3.62Å; F34-F90 HydrophobicContact CD1-CD1 4.35Å; F34-F90 HydrophobicContact CD1-CG 4.21Å; F34-F90 HydrophobicContact CE1-CB 3.97Å; F34-F90 AromaticContact CE1-CD1 3.58Å; F34-F90 HydrophobicContact CE1-CD1 3.58Å; F34-F90 HydrophobicContact CE1-CD2 4.43Å; F34-F90 HydrophobicContact CE1-CE1 4.17Å; F34-F90 AromaticContact CE1-CG 3.72Å; F34-F90 HydrophobicContact CE1-CG 3.72Å; F34-F90 HydrophobicContact CZ-CB 4.2Å; F34-F90 HydrophobicContact CZ-CD1 4.34Å; F34-F90 HydrophobicContact CZ-CG 4.42Å; F34-L94 HydrophobicContact CZ-CD1 3.91Å
35	K	94.8	Very high	91.3	Very high	97 Å²	97	80.7 Å²	80.7	42%	0.422	39%	0.392	S	S	.	.	H	α-helix	trans	-68.4	-39.1	177.1	-171.8	177.8	-179.6	-177.7	0	111.7	I31 Q32 E33 F38 N39 F83	I31-K35 WeakPolarHBondContact O-CB 3.42Å; I31-K35 PolarHBondContact O-N 2.78Å; Q32-K35 WeakPolarHBondContact O-CB 3.25Å; Q32-K35 PolarHBondContact O-N 3.09Å; E33-K35 PolarHBondContact O-N 3.27Å; K35-F38 PolarHBondContact O-N 3.3Å; K35-N39 WeakPolarHBondContact O-CB 3.2Å; K35-N39 PolarHBondContact O-N 3.49Å; K35-N39 PolarHBondContact O-ND2 2.92Å; K35-N39 VanDerWaalsContact O-ND2 3.08Å; K35-F83 VanDerWaalsContact CA-CE2 3.46Å; K35-F83 HydrophobicContact CB-CE1 4.46Å; K35-F83 HydrophobicContact CB-CE2 3.95Å; K35-F83 HydrophobicContact CB-CZ 3.72Å; K35-F83 HydrophobicContact CG-CE2 4.49Å; K35-F83 HydrophobicContact CG-CZ 4.32Å
36	E	95.2	Very high	92.3	Very high	111 Å²	111	80.6 Å²	80.6	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-43.9	174.3	-73.3	172.5	-160.7	0	0	111.4	Q32 E33 N39 M40	Q32-E36 PolarHBondContact NE2-OE1 3.23Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 3.48Å; E33-E36 PolarHBondContact O-N 2.89Å; E33-E36 VanDerWaalsContact O-N 3.16Å; E36-N39 PolarHBondContact O-N 3.44Å; E36-M40 PolarHBondContact O-N 3.42Å
37	A	93.6	Very high	93	Very high	37 Å²	37	81.3 Å²	81.3	31%	0.306	41%	0.405	S	S	.	.	H	α-helix	trans	-59.2	-49	172.9	0	0	0	0	0	111.3	E33 F34 N39 M40 I41 F86	E33-A37 PolarHBondContact O-N 3.31Å; F34-A37 PolarHBondContact O-N 2.94Å; A37-N39 VanDerWaalsContact C-N 3.34Å; A37-N39 PolarHBondContact O-N 3.5Å; A37-M40 WeakPolarHBondContact O-CB 3.47Å; A37-M40 PolarHBondContact O-N 3.43Å; A37-I41 WeakPolarHBondContact O-CG1 3.27Å; A37-I41 PolarHBondContact O-N 2.84Å; A37-I41 VanDerWaalsContact O-N 3.16Å; A37-F86 HydrophobicContact CB-CZ 4.36Å
38	F	96	Very high	93.5	Very high	7 Å²	7	81.6 Å²	81.6	3%	0.031	40%	0.402	C	S	.	.	H	α-helix	trans	-56.7	-47	178.1	-174.9	-87.2	0	0	0	111.9	F34 K35 M40 I41 D42 G47 I49 F83 F86	F34-F38 VanDerWaalsContact O-CB 3.3Å; F34-F38 WeakPolarHBondContact O-CB 3.49Å; F34-F38 PolarHBondContact O-N 2.65Å; K35-F38 PolarHBondContact O-N 3.3Å; F38-M40 PolarHBondContact O-N 2.86Å; F38-I41 PolarHBondContact O-N 3.05Å; F38-D42 HydrophobicContact CD1-CB 4.33Å; F38-D42 HydrophobicContact CE1-CB 3.97Å; F38-D42 WeakPolarHBondContact O-CB 3.43Å; F38-D42 PolarHBondContact O-N 2.85Å; F38-G47 WeakPolarHBondContact CZ-O 3.5Å; F38-I49 HydrophobicContact CD2-CD1 3.5Å; F38-I49 VanDerWaalsContact CD2-CD1 3.5Å; F38-I49 HydrophobicContact CD2-CG1 4.1Å; F38-I49 HydrophobicContact CE2-CD1 3.47Å; F38-I49 VanDerWaalsContact CE2-CD1 3.47Å; F38-I49 HydrophobicContact CE2-CG1 3.63Å; F38-I49 HydrophobicContact CG-CD1 4.33Å; F38-I49 HydrophobicContact CZ-CD1 4.27Å; F38-I49 HydrophobicContact CZ-CG1 3.96Å; F38-F83 HydrophobicContact CB-CD2 3.72Å; F38-F83 HydrophobicContact CB-CE2 4.1Å; F38-F83 HydrophobicContact CD1-CB 4.41Å; F38-F83 HydrophobicContact CD1-CD2 4.31Å; F38-F83 HydrophobicContact CD2-CB 4.33Å; F38-F83 AromaticContact CD2-CD2 3.96Å; F38-F83 HydrophobicContact CD2-CD2 3.96Å; F38-F83 HydrophobicContact CE1-CB 4.42Å; F38-F83 HydrophobicContact CE2-CB 4.31Å; F38-F83 HydrophobicContact CG-CB 4.38Å; F38-F83 AromaticContact CG-CD2 3.72Å; F38-F83 HydrophobicContact CG-CD2 3.72Å; F38-F83 HydrophobicContact CZ-CB 4.37Å; F38-F86 HydrophobicContact CB-CD1 4.29Å; F38-F86 HydrophobicContact CB-CE1 4.28Å; F38-F86 HydrophobicContact CD2-CB 3.73Å; F38-F86 HydrophobicContact CD2-CD1 4.08Å; F38-F86 AromaticContact CD2-CD2 3.98Å; F38-F86 HydrophobicContact CD2-CD2 3.98Å; F38-F86 AromaticContact CD2-CG 3.69Å; F38-F86 HydrophobicContact CD2-CG 3.69Å; F38-F86 HydrophobicContact CE2-CB 4.05Å; F38-F86 HydrophobicContact CE2-CG 4.41Å
39	N	94.8	Very high	94	Very high	89 Å²	89	73.7 Å²	73.7	48%	0.476	37%	0.366	S	S	.	.	H	α-helix	trans	-68.5	-19.8	178.4	-66	-26.5	0	0	0	113.6	K35 E36 A37	K35-N39 WeakPolarHBondContact O-CB 3.2Å; K35-N39 PolarHBondContact O-N 3.49Å; K35-N39 PolarHBondContact O-ND2 2.92Å; K35-N39 VanDerWaalsContact O-ND2 3.08Å; E36-N39 PolarHBondContact O-N 3.44Å; A37-N39 VanDerWaalsContact C-N 3.34Å; A37-N39 PolarHBondContact O-N 3.5Å
40	M	94.1	Very high	94.4	Very high	129 Å²	129	72.7 Å²	72.7	64%	0.635	36%	0.355	S	S	*	.	H	α-helix	trans	-78.3	-25.8	172.8	-170.3	-177.3	-57.6	0	0	111.3	E36 A37 F38 Q43	E36-M40 PolarHBondContact O-N 3.42Å; A37-M40 WeakPolarHBondContact O-CB 3.47Å; A37-M40 PolarHBondContact O-N 3.43Å; F38-M40 PolarHBondContact O-N 2.86Å; M40-Q43 PolarHBondContact O-NE2 2.91Å
41	I	95.8	Very high	94.8	Very high	23 Å²	23	71.7 Å²	71.7	12%	0.118	35%	0.349	C	S	.	.	H	α-helix	trans	-86.1	-51.9	177.3	-55.9	176.2	0	0	0	110.2	A37 F38 Q43 I49 D53 L54 M57 F86	A37-I41 WeakPolarHBondContact O-CG1 3.27Å; A37-I41 PolarHBondContact O-N 2.84Å; A37-I41 VanDerWaalsContact O-N 3.16Å; F38-I41 PolarHBondContact O-N 3.05Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 3.16Å; I41-I49 HydrophobicContact CB-CD1 3.81Å; I41-I49 HydrophobicContact CB-CG1 4.12Å; I41-I49 HydrophobicContact CD1-CD1 4.05Å; I41-I49 HydrophobicContact CG2-CB 4.24Å; I41-I49 HydrophobicContact CG2-CD1 3.67Å; I41-I49 HydrophobicContact CG2-CG1 3.72Å; I41-I49 HydrophobicContact CG2-CG2 3.54Å; I41-D53 HydrophobicContact CG2-CB 4.28Å; I41-D53 VanDerWaalsContact O-CB 3.32Å; I41-D53 WeakPolarHBondContact O-CB 3.44Å; I41-L54 HydrophobicContact CG2-CD2 3.93Å; I41-M57 HydrophobicContact CB-CE 4.04Å; I41-M57 HydrophobicContact CD1-CE 3.75Å; I41-M57 HydrophobicContact CG1-CE 3.45Å; I41-M57 VanDerWaalsContact CG1-CE 3.45Å; I41-M57 HydrophobicContact CG1-CG 4.43Å; I41-M57 HydrophobicContact CG1-SD 4.27Å; I41-M57 HydrophobicContact CG2-CE 3.63Å; I41-F86 HydrophobicContact CD1-CE2 3.84Å; I41-F86 HydrophobicContact CD1-CZ 4.22Å
42	D	96.6	Very high	95.1	Very high	6 Å²	6	75.6 Å²	75.6	3%	0.032	37%	0.367	C	S	.	.			trans	-67.4	82	177.5	176	9.3	0	0	0	110.5	F38 N44 R45 D46 G47 I49	F38-D42 HydrophobicContact CD1-CB 4.33Å; F38-D42 HydrophobicContact CE1-CB 3.97Å; F38-D42 WeakPolarHBondContact O-CB 3.43Å; F38-D42 PolarHBondContact O-N 2.85Å; D42-N44 PolarHBondContact OD1-OD1 3.49Å; D42-N44 VanDerWaalsContact OD1-OD1 3.08Å; D42-R45 WeakPolarHBondContact OD1-CA 3.4Å; D42-R45 PolarHBondContact OD1-N 2.8Å; D42-D46 PolarHBondContact OD1-N 3.22Å; D42-G47 VanDerWaalsContact OD2-CA 3.25Å; D42-G47 WeakPolarHBondContact OD2-CA 3.38Å; D42-G47 PolarHBondContact OD2-N 3.44Å; D42-I49 HydrophobicContact CB-CG1 4.38Å
43	Q	92.5	Very high	95.3	Very high	104 Å²	104	71.5 Å²	71.5	49%	0.486	35%	0.348	S	S	.	.	S	Bend	trans	-72.7	-35.6	-174.9	-73.1	-63.5	-52.1	0	0	110.9	M40 I41 R45 D53 D56	M40-Q43 PolarHBondContact O-NE2 2.91Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 3.16Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; Q43-D53 PolarHBondContact N-OD1 2.87Å; Q43-D56 HydrophobicContact CG-CB 4.37Å
44	N	93.8	Very high	95.4	Very high	82 Å²	82	65.7 Å²	65.7	44%	0.439	32%	0.321	S	S	.	.	S	Bend	trans	-78.3	-15.1	-179.6	75.7	32	0	0	0	112.8	D42 D46 D53	D42-N44 PolarHBondContact OD1-OD1 3.49Å; D42-N44 VanDerWaalsContact OD1-OD1 3.08Å; N44-D46 WeakPolarHBondContact OD1-CB 3.25Å; N44-D46 PolarHBondContact OD1-N 2.9Å; N44-D46 PolarHBondContact OD1-OD1 3.07Å; N44-D53 PolarHBondContact N-OD1 2.83Å
45	R	93.8	Very high	95.5	Very high	216 Å²	216	67.5 Å²	67.5	82%	0.815	33%	0.33	S	S	*	.			trans	62.7	33.2	177.8	-55.4	-177.3	177.3	-172.4	-1.5	114.2	D42 Q43 G47	D42-R45 WeakPolarHBondContact OD1-CA 3.4Å; D42-R45 PolarHBondContact OD1-N 2.8Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; R45-G47 VanDerWaalsContact C-N 3.31Å
46	D	96.9	Very high	95.5	Very high	93 Å²	93	66.9 Å²	66.9	50%	0.497	33%	0.331	S	S	.	.	S	Bend	trans	-85.3	-7.5	177.5	84.6	-2.8	0	0	0	113.1	D42 N44 F48	D42-D46 PolarHBondContact OD1-N 3.22Å; N44-D46 WeakPolarHBondContact OD1-CB 3.25Å; N44-D46 PolarHBondContact OD1-N 2.9Å; N44-D46 PolarHBondContact OD1-OD1 3.07Å; D46-F48 WeakPolarHBondContact OD1-CA 3.32Å; D46-F48 WeakPolarHBondContact OD1-CB 3.43Å; D46-F48 PolarHBondContact OD1-N 2.97Å; D46-F48 VanDerWaalsContact OD1-O 3.14Å
47	G	96.6	Very high	95.5	Very high	30 Å²	30	63 Å²	63	31%	0.309	31%	0.313	S	S	.	.	S	Bend	trans	89.5	7.6	179.9	0	0	0	0	0	114.3	F38 D42 R45	F38-G47 WeakPolarHBondContact CZ-O 3.5Å; D42-G47 VanDerWaalsContact OD2-CA 3.25Å; D42-G47 WeakPolarHBondContact OD2-CA 3.38Å; D42-G47 PolarHBondContact OD2-N 3.44Å; R45-G47 VanDerWaalsContact C-N 3.31Å
48	F	97.5	Very high	95.5	Very high	88 Å²	88	62.3 Å²	62.3	39%	0.386	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.7	174.2	-64.9	-93.8	0	0	0	109.7	D46 P80 I81 N82	D46-F48 WeakPolarHBondContact OD1-CA 3.32Å; D46-F48 WeakPolarHBondContact OD1-CB 3.43Å; D46-F48 PolarHBondContact OD1-N 2.97Å; D46-F48 VanDerWaalsContact OD1-O 3.14Å; F48-P80 HydrophobicContact CD1-CB 3.92Å; F48-P80 HydrophobicContact CE1-CB 3.99Å; F48-I81 CarbonylContact C-O 3.56Å; F48-I81 WeakPolarHBondContact CA-O 3.39Å; F48-N82 HydrophobicContact CD1-CB 3.92Å; F48-N82 HydrophobicContact CE1-CB 3.76Å; F48-N82 HydrophobicContact CZ-CB 4.35Å
49	I	97.2	Very high	95.4	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.2	169	-65.4	169.1	0	0	0	107.5	F38 I41 D42 D53 L54 I81 F86	F38-I49 HydrophobicContact CD2-CD1 3.5Å; F38-I49 VanDerWaalsContact CD2-CD1 3.5Å; F38-I49 HydrophobicContact CD2-CG1 4.1Å; F38-I49 HydrophobicContact CE2-CD1 3.47Å; F38-I49 VanDerWaalsContact CE2-CD1 3.47Å; F38-I49 HydrophobicContact CE2-CG1 3.63Å; F38-I49 HydrophobicContact CG-CD1 4.33Å; F38-I49 HydrophobicContact CZ-CD1 4.27Å; F38-I49 HydrophobicContact CZ-CG1 3.96Å; I41-I49 HydrophobicContact CB-CD1 3.81Å; I41-I49 HydrophobicContact CB-CG1 4.12Å; I41-I49 HydrophobicContact CD1-CD1 4.05Å; I41-I49 HydrophobicContact CG2-CB 4.24Å; I41-I49 HydrophobicContact CG2-CD1 3.67Å; I41-I49 HydrophobicContact CG2-CG1 3.72Å; I41-I49 HydrophobicContact CG2-CG2 3.54Å; D42-I49 HydrophobicContact CB-CG1 4.38Å; I49-D53 HydrophobicContact CG2-CB 4.32Å; I49-L54 HydrophobicContact CG2-CD2 3.97Å; I49-L54 HydrophobicContact CG2-CG 3.93Å; I49-I81 HydrophobicContact CB-CB 4.12Å; I49-I81 HydrophobicContact CB-CG2 4.09Å; I49-I81 HydrophobicContact CD1-CG2 4.19Å; I49-I81 PolarHBondContact N-O 3.47Å; I49-F86 HydrophobicContact CD1-CD2 3.81Å; I49-F86 HydrophobicContact CD1-CE2 4.02Å
50	D	96.3	Very high	95.2	Very high	48 Å²	48	64.3 Å²	64.3	26%	0.257	33%	0.329	S	S	.	.			trans	-110.4	-175	171.4	68.7	25.7	0	0	0	112.7	E52 D53 L54	D50-E52 VanDerWaalsContact C-N 3.31Å; D50-E52 WeakPolarHBondContact OD1-CA 3.3Å; D50-E52 WeakPolarHBondContact OD1-CB 3.38Å; D50-E52 PolarHBondContact OD1-N 2.99Å; D50-E52 VanDerWaalsContact OD1-N 3.08Å; D50-D53 PolarHBondContact N-OD2 3.11Å; D50-D53 VanDerWaalsContact N-OD2 3.07Å; D50-D53 PolarHBondContact OD1-N 2.98Å; D50-L54 PolarHBondContact O-N 2.86Å
51	K	96.2	Very high	95.2	Very high	50 Å²	50	63.8 Å²	63.8	22%	0.217	33%	0.328	C	S	.	.	H	α-helix	trans	-69	-35.9	-175.6	-169.9	-172.2	169.9	-171.1	0	110.9	L54 H55 D67 L70 M74	K51-L54 PolarHBondContact O-N 3.26Å; K51-H55 WeakPolarHBondContact O-CB 2.98Å; K51-H55 PolarHBondContact O-N 3.02Å; K51-D67 WeakPolarHBondContact CE-OD1 3.45Å; K51-D67 IonicContact NZ-OD1 2.75Å; K51-D67 PolarHBondContact NZ-OD1 3.38Å; K51-L70 HydrophobicContact CD-CB 4.29Å; K51-L70 HydrophobicContact CG-CB 3.72Å; K51-L70 HydrophobicContact CG-CD1 4.17Å; K51-M74 HydrophobicContact CB-CG 4.32Å
52	E	96.2	Very high	95	Very high	119 Å²	119	66.1 Å²	66.1	56%	0.556	36%	0.357	S	S	*	.	H	α-helix	trans	-67.7	-42.4	178.7	-69.4	72.1	-172.9	0	0	110.9	D50 L54 H55 D56	D50-E52 VanDerWaalsContact C-N 3.31Å; D50-E52 WeakPolarHBondContact OD1-CA 3.3Å; D50-E52 WeakPolarHBondContact OD1-CB 3.38Å; D50-E52 PolarHBondContact OD1-N 2.99Å; D50-E52 VanDerWaalsContact OD1-N 3.08Å; E52-L54 PolarHBondContact O-N 3.48Å; E52-H55 WeakPolarHBondContact O-CB 3.25Å; E52-H55 PolarHBondContact O-N 2.86Å; E52-D56 WeakPolarHBondContact O-CB 3.49Å; E52-D56 PolarHBondContact O-N 2.91Å
53	D	97.1	Very high	94.9	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.021	39%	0.385	C	S	.	.	H	α-helix	trans	-57.2	-46.4	172	-74.1	-42.9	0	0	0	112	I41 Q43 N44 I49 D50 D56 M57	I41-D53 HydrophobicContact CG2-CB 4.28Å; I41-D53 VanDerWaalsContact O-CB 3.32Å; I41-D53 WeakPolarHBondContact O-CB 3.44Å; Q43-D53 PolarHBondContact N-OD1 2.87Å; N44-D53 PolarHBondContact N-OD1 2.83Å; I49-D53 HydrophobicContact CG2-CB 4.32Å; D50-D53 PolarHBondContact N-OD2 3.11Å; D50-D53 VanDerWaalsContact N-OD2 3.07Å; D50-D53 PolarHBondContact OD1-N 2.98Å; D53-D56 PolarHBondContact O-N 3.08Å; D53-M57 VanDerWaalsContact O-CB 3.25Å; D53-M57 WeakPolarHBondContact O-CB 3.4Å; D53-M57 PolarHBondContact O-N 3.38Å
54	L	95.4	Very high	94.9	Very high	11 Å²	11	74.2 Å²	74.2	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-64.1	-41.9	176.5	-70.1	179.1	0	0	0	112	I41 I49 D50 K51 E52 M57 L58 L70 M73 M74	I41-L54 HydrophobicContact CG2-CD2 3.93Å; I49-L54 HydrophobicContact CG2-CD2 3.97Å; I49-L54 HydrophobicContact CG2-CG 3.93Å; D50-L54 PolarHBondContact O-N 2.86Å; K51-L54 PolarHBondContact O-N 3.26Å; E52-L54 PolarHBondContact O-N 3.48Å; L54-M57 HydrophobicContact CD2-CE 3.64Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.35Å; L54-L70 HydrophobicContact CB-CD2 3.71Å; L54-M73 HydrophobicContact CD1-CB 3.93Å; L54-M73 HydrophobicContact CD1-CE 4.12Å; L54-M73 HydrophobicContact CD1-SD 4.32Å; L54-M73 HydrophobicContact CD2-CE 3.87Å; L54-M74 HydrophobicContact CD1-CG 4.15Å; L54-M74 HydrophobicContact CD1-SD 3.56Å; L54-M74 VanDerWaalsContact CD1-SD 3.56Å; L54-M74 HydrophobicContact CG-SD 4.5Å
55	H	95.7	Very high	94.9	Very high	66 Å²	66	71.2 Å²	71.2	31%	0.306	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-51.1	175.5	173.6	-84.9	0	0	0	110.9	K51 E52 M57 L58 A59 L70	K51-H55 WeakPolarHBondContact O-CB 2.98Å; K51-H55 PolarHBondContact O-N 3.02Å; E52-H55 WeakPolarHBondContact O-CB 3.25Å; E52-H55 PolarHBondContact O-N 2.86Å; H55-M57 PolarHBondContact O-N 3.42Å; H55-L58 PolarHBondContact O-N 3.25Å; H55-A59 VanDerWaalsContact O-CB 3.27Å; H55-A59 WeakPolarHBondContact O-CB 3.33Å; H55-A59 PolarHBondContact O-N 3.02Å; H55-L70 HydrophobicContact CB-CD1 3.79Å
56	D	94.9	Very high	95	Very high	85 Å²	85	64.8 Å²	64.8	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-66.8	-39.7	-175.9	-73.6	-5.9	0	0	0	111.7	Q43 E52 D53 A59 S60	Q43-D56 HydrophobicContact CG-CB 4.37Å; E52-D56 WeakPolarHBondContact O-CB 3.49Å; E52-D56 PolarHBondContact O-N 2.91Å; D53-D56 PolarHBondContact O-N 3.08Å; D56-A59 PolarHBondContact O-N 2.97Å; D56-S60 WeakPolarHBondContact O-CB 3.36Å; D56-S60 PolarHBondContact O-N 2.82Å
57	M	94.5	Very high	95	Very high	29 Å²	29	65.1 Å²	65.1	14%	0.143	37%	0.369	C	S	.	.	H	α-helix	trans	-60.1	-49.5	173.1	-174.9	-121.4	-50.2	0	0	111.3	I41 D53 L54 H55 A59 S60 L61	I41-M57 HydrophobicContact CB-CE 4.04Å; I41-M57 HydrophobicContact CD1-CE 3.75Å; I41-M57 HydrophobicContact CG1-CE 3.45Å; I41-M57 VanDerWaalsContact CG1-CE 3.45Å; I41-M57 HydrophobicContact CG1-CG 4.43Å; I41-M57 HydrophobicContact CG1-SD 4.27Å; I41-M57 HydrophobicContact CG2-CE 3.63Å; D53-M57 VanDerWaalsContact O-CB 3.25Å; D53-M57 WeakPolarHBondContact O-CB 3.4Å; D53-M57 PolarHBondContact O-N 3.38Å; L54-M57 HydrophobicContact CD2-CE 3.64Å; H55-M57 PolarHBondContact O-N 3.42Å; M57-A59 PolarHBondContact O-N 2.9Å; M57-S60 WeakPolarHBondContact O-CB 3.48Å; M57-S60 PolarHBondContact O-N 2.95Å; M57-S60 PolarHBondContact O-OG 3.08Å; M57-L61 PolarHBondContact O-N 2.74Å
58	L	94.1	Very high	95	Very high	23 Å²	23	70.7 Å²	70.7	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-66.4	-38.7	179	-72.2	171.6	0	0	0	112	L54 H55 S60 L61 G62 K63 P65 Y69 L70 M73	L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.35Å; H55-L58 PolarHBondContact O-N 3.25Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.26Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.46Å; L58-L61 WeakPolarHBondContact O-CB 3.25Å; L58-L61 PolarHBondContact O-N 3.47Å; L58-L61 VanDerWaalsContact O-N 3.09Å; L58-G62 PolarHBondContact O-N 3.22Å; L58-K63 CarbonylContact C-O 3.52Å; L58-K63 VanDerWaalsContact C-O 3.22Å; L58-K63 HydrophobicContact CB-CB 4.17Å; L58-K63 WeakPolarHBondContact O-CA 3.46Å; L58-K63 WeakPolarHBondContact O-CB 3.29Å; L58-K63 PolarHBondContact O-N 3.24Å; L58-K63 VanDerWaalsContact O-O 3.07Å; L58-P65 HydrophobicContact CB-CG 3.88Å; L58-P65 HydrophobicContact CD1-CB 3.79Å; L58-P65 HydrophobicContact CD1-CG 3.77Å; L58-P65 HydrophobicContact CG-CG 4.49Å; L58-Y69 HydrophobicContact CD1-CD1 4.42Å; L58-Y69 HydrophobicContact CD1-CE1 3.93Å; L58-L70 HydrophobicContact CD1-CD2 3.98Å; L58-M73 HydrophobicContact CD1-SD 4.26Å
59	A	93.4	Very high	94.9	Very high	44 Å²	44	72.7 Å²	72.7	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-40	173.4	0	0	0	0	0	111.9	H55 D56 M57 L61 G62 K63	H55-A59 VanDerWaalsContact O-CB 3.27Å; H55-A59 WeakPolarHBondContact O-CB 3.33Å; H55-A59 PolarHBondContact O-N 3.02Å; D56-A59 PolarHBondContact O-N 2.97Å; M57-A59 PolarHBondContact O-N 2.9Å; A59-L61 PolarHBondContact O-N 3.47Å; A59-G62 WeakPolarHBondContact O-CA 3.47Å; A59-G62 PolarHBondContact O-N 3.29Å; A59-K63 WeakPolarHBondContact CA-O 3.43Å; A59-K63 PolarHBondContact N-O 2.87Å
60	S	91.5	Very high	94.8	Very high	93 Å²	93	72.4 Å²	72.4	65%	0.65	39%	0.391	S	S	*	.	H	α-helix	trans	-63.1	-28.1	175.4	83.9	0	0	0	0	113	D56 M57 L58 G62	D56-S60 WeakPolarHBondContact O-CB 3.36Å; D56-S60 PolarHBondContact O-N 2.82Å; M57-S60 WeakPolarHBondContact O-CB 3.48Å; M57-S60 PolarHBondContact O-N 2.95Å; M57-S60 PolarHBondContact O-OG 3.08Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.26Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 3.45Å
61	L	92.4	Very high	94.8	Very high	119 Å²	119	75.5 Å²	75.5	62%	0.623	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	7	173.7	-60.9	176.1	0	0	0	113	M57 L58 A59 K63	M57-L61 PolarHBondContact O-N 2.74Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.46Å; L58-L61 WeakPolarHBondContact O-CB 3.25Å; L58-L61 PolarHBondContact O-N 3.47Å; L58-L61 VanDerWaalsContact O-N 3.09Å; A59-L61 PolarHBondContact O-N 3.47Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 HydrophobicContact CB-CG 4.46Å; L61-K63 PolarHBondContact O-N 3.04Å
62	G	93.3	Very high	94.6	Very high	71 Å²	71	74.6 Å²	74.6	73%	0.732	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	16.8	-177.9	0	0	0	0	0	113.9	L58 A59 S60	L58-G62 PolarHBondContact O-N 3.22Å; A59-G62 WeakPolarHBondContact O-CA 3.47Å; A59-G62 PolarHBondContact O-N 3.29Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 3.45Å
63	K	93.4	Very high	94.5	Very high	140 Å²	140	71.4 Å²	71.4	61%	0.609	40%	0.395	S	S	*	.			trans	-96.4	137.8	173.2	-56.4	-63	-174.9	175.3	0	108.9	L58 A59 L61 P65	L58-K63 CarbonylContact C-O 3.52Å; L58-K63 VanDerWaalsContact C-O 3.22Å; L58-K63 HydrophobicContact CB-CB 4.17Å; L58-K63 WeakPolarHBondContact O-CA 3.46Å; L58-K63 WeakPolarHBondContact O-CB 3.29Å; L58-K63 PolarHBondContact O-N 3.24Å; L58-K63 VanDerWaalsContact O-O 3.07Å; A59-K63 WeakPolarHBondContact CA-O 3.43Å; A59-K63 PolarHBondContact N-O 2.87Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 HydrophobicContact CB-CG 4.46Å; L61-K63 PolarHBondContact O-N 3.04Å; K63-P65 VanDerWaalsContact O-CD 3.25Å; K63-P65 WeakPolarHBondContact O-CD 3.37Å
64	N	93.2	Very high	94.3	Very high	141 Å²	141	73.4 Å²	73.4	75%	0.754	41%	0.405	S	S	*	.			trans	-111.7	84.9	173.8	-169.9	69	0	0	0	108.8
65	P	94	Very high	94.2	Very high	19 Å²	19	77.1 Å²	77.1	12%	0.123	43%	0.431	C	S	.	.			trans	-67.3	150.7	-176.9	30.7	-36.7	0	0	0	111.3	L58 K63 Y69 L70	L58-P65 HydrophobicContact CB-CG 3.88Å; L58-P65 HydrophobicContact CD1-CB 3.79Å; L58-P65 HydrophobicContact CD1-CG 3.77Å; L58-P65 HydrophobicContact CG-CG 4.49Å; K63-P65 VanDerWaalsContact O-CD 3.25Å; K63-P65 WeakPolarHBondContact O-CD 3.37Å; P65-Y69 HydrophobicContact CB-CD1 3.79Å; P65-Y69 HydrophobicContact CB-CE1 4.45Å; P65-L70 HydrophobicContact CB-CD1 4.41Å; P65-L70 HydrophobicContact CB-CD2 3.98Å; P65-L70 HydrophobicContact CB-CG 3.98Å; P65-L70 HydrophobicContact CG-CD1 4.08Å; P65-L70 HydrophobicContact CG-CD2 3.88Å; P65-L70 HydrophobicContact CG-CG 4.08Å
66	T	95.8	Very high	93.9	Very high	80 Å²	80	80.9 Å²	80.9	49%	0.491	45%	0.449	S	S	.	.			trans	-82.9	158.7	171.2	72.6	0	0	0	0	110.6	E68 Y69 L70	T66-E68 WeakPolarHBondContact CB-OE2 3.29Å; T66-E68 PolarHBondContact O-N 2.98Å; T66-E68 PolarHBondContact OG1-OE2 2.97Å; T66-Y69 WeakPolarHBondContact O-CB 3.46Å; T66-Y69 PolarHBondContact O-N 3.39Å; T66-Y69 VanDerWaalsContact O-N 3.13Å; T66-Y69 PolarHBondContact OG1-N 3.22Å; T66-L70 WeakPolarHBondContact O-CG 3.32Å; T66-L70 PolarHBondContact O-N 3.06Å; T66-L70 VanDerWaalsContact O-N 3.11Å
67	D	96	Very high	93.5	Very high	101 Å²	101	77.5 Å²	77.5	54%	0.54	43%	0.433	S	S	.	.	H	α-helix	trans	-58.1	-37.4	176.4	-85.6	-29.2	0	0	0	112.3	K51 L70 E71	K51-D67 WeakPolarHBondContact CE-OD1 3.45Å; K51-D67 IonicContact NZ-OD1 2.75Å; K51-D67 PolarHBondContact NZ-OD1 3.38Å; D67-L70 PolarHBondContact O-N 3.29Å; D67-E71 WeakPolarHBondContact O-CB 3.39Å; D67-E71 PolarHBondContact O-N 2.99Å
68	E	96.9	Very high	93.1	Very high	146 Å²	146	81.5 Å²	81.5	68%	0.682	46%	0.461	S	S	*	.	H	α-helix	trans	-67.6	-36.3	177.8	-59.3	77.8	-169.2	0	0	112.3	T66 G72	T66-E68 WeakPolarHBondContact CB-OE2 3.29Å; T66-E68 PolarHBondContact O-N 2.98Å; T66-E68 PolarHBondContact OG1-OE2 2.97Å; E68-G72 PolarHBondContact O-N 2.75Å
69	Y	94.6	Very high	92.9	Very high	131 Å²	131	81.8 Å²	81.8	51%	0.514	47%	0.469	S	S	.	.	H	α-helix	trans	-66.5	-45.6	176.5	177.7	-102.6	0	0	0	111	L58 P65 T66 G72 M73	L58-Y69 HydrophobicContact CD1-CD1 4.42Å; L58-Y69 HydrophobicContact CD1-CE1 3.93Å; P65-Y69 HydrophobicContact CB-CD1 3.79Å; P65-Y69 HydrophobicContact CB-CE1 4.45Å; T66-Y69 WeakPolarHBondContact O-CB 3.46Å; T66-Y69 PolarHBondContact O-N 3.39Å; T66-Y69 VanDerWaalsContact O-N 3.13Å; T66-Y69 PolarHBondContact OG1-N 3.22Å; Y69-G72 PolarHBondContact O-N 3.33Å; Y69-M73 HydrophobicContact CD1-SD 4.02Å; Y69-M73 HydrophobicContact CE1-CG 4.25Å; Y69-M73 HydrophobicContact CE1-SD 3.45Å; Y69-M73 WeakPolarHBondContact CE1-SD 3.5Å; Y69-M73 WeakPolarHBondContact O-CG 3.38Å; Y69-M73 PolarHBondContact O-N 3.05Å
70	L	95.9	Very high	92.9	Very high	1 Å²	1	84.2 Å²	84.2	1%	0.005	48%	0.481	C	S	.	.	H	α-helix	trans	-64.3	-41.6	177	-65.2	170.2	0	0	0	111.8	K51 L54 H55 L58 P65 T66 D67 G72 M73 M74	K51-L70 HydrophobicContact CD-CB 4.29Å; K51-L70 HydrophobicContact CG-CB 3.72Å; K51-L70 HydrophobicContact CG-CD1 4.17Å; L54-L70 HydrophobicContact CB-CD2 3.71Å; H55-L70 HydrophobicContact CB-CD1 3.79Å; L58-L70 HydrophobicContact CD1-CD2 3.98Å; P65-L70 HydrophobicContact CB-CD1 4.41Å; P65-L70 HydrophobicContact CB-CD2 3.98Å; P65-L70 HydrophobicContact CB-CG 3.98Å; P65-L70 HydrophobicContact CG-CD1 4.08Å; P65-L70 HydrophobicContact CG-CD2 3.88Å; P65-L70 HydrophobicContact CG-CG 4.08Å; T66-L70 WeakPolarHBondContact O-CG 3.32Å; T66-L70 PolarHBondContact O-N 3.06Å; T66-L70 VanDerWaalsContact O-N 3.11Å; D67-L70 PolarHBondContact O-N 3.29Å; L70-G72 VanDerWaalsContact C-N 3.28Å; L70-G72 PolarHBondContact O-N 3.38Å; L70-M73 WeakPolarHBondContact O-CB 3.42Å; L70-M73 PolarHBondContact O-N 3.13Å; L70-M74 WeakPolarHBondContact O-CG 3.24Å; L70-M74 PolarHBondContact O-N 3.11Å
71	E	95.3	Very high	93.1	Very high	112 Å²	112	80.2 Å²	80.2	52%	0.523	45%	0.453	S	S	.	.	H	α-helix	trans	-61.9	-39.5	174.3	-168.8	66.1	-159.9	0	0	111.2	D67 M73 M74 S75	D67-E71 WeakPolarHBondContact O-CB 3.39Å; D67-E71 PolarHBondContact O-N 2.99Å; E71-M73 PolarHBondContact O-N 3.21Å; E71-M74 PolarHBondContact O-N 3.48Å; E71-S75 WeakPolarHBondContact O-CB 3.34Å; E71-S75 PolarHBondContact O-N 2.91Å
72	G	94	Very high	93.3	Very high	31 Å²	31	77.2 Å²	77.2	32%	0.32	44%	0.437	S	S	.	.	H	α-helix	trans	-55.4	-50.3	171.7	0	0	0	0	0	111.9	E68 Y69 L70 M74 S75 E76	E68-G72 PolarHBondContact O-N 2.75Å; Y69-G72 PolarHBondContact O-N 3.33Å; L70-G72 VanDerWaalsContact C-N 3.28Å; L70-G72 PolarHBondContact O-N 3.38Å; G72-M74 PolarHBondContact O-N 3.22Å; G72-S75 PolarHBondContact O-N 3.03Å; G72-S75 PolarHBondContact O-OG 2.92Å; G72-E76 PolarHBondContact O-N 3.14Å
73	M	92.2	Very high	93.4	Very high	53 Å²	53	75.8 Å²	75.8	26%	0.261	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-44.9	176.5	-65.2	178.4	70.6	0	0	112.2	L54 L58 Y69 L70 E71 S75 E76	L54-M73 HydrophobicContact CD1-CB 3.93Å; L54-M73 HydrophobicContact CD1-CE 4.12Å; L54-M73 HydrophobicContact CD1-SD 4.32Å; L54-M73 HydrophobicContact CD2-CE 3.87Å; L58-M73 HydrophobicContact CD1-SD 4.26Å; Y69-M73 HydrophobicContact CD1-SD 4.02Å; Y69-M73 HydrophobicContact CE1-CG 4.25Å; Y69-M73 HydrophobicContact CE1-SD 3.45Å; Y69-M73 WeakPolarHBondContact CE1-SD 3.5Å; Y69-M73 WeakPolarHBondContact O-CG 3.38Å; Y69-M73 PolarHBondContact O-N 3.05Å; L70-M73 WeakPolarHBondContact O-CB 3.42Å; L70-M73 PolarHBondContact O-N 3.13Å; E71-M73 PolarHBondContact O-N 3.21Å; M73-S75 VanDerWaalsContact C-N 3.26Å; M73-S75 PolarHBondContact O-N 3.13Å; M73-E76 PolarHBondContact O-N 3.3Å
74	M	94.1	Very high	93.3	Very high	46 Å²	46	71.1 Å²	71.1	23%	0.227	39%	0.394	C	S	.	.	H	α-helix	trans	-65.3	-30.7	178.7	-68.7	-55.3	-62.2	0	0	112.5	K51 L54 L70 E71 G72 E76 A77 I81	K51-M74 HydrophobicContact CB-CG 4.32Å; L54-M74 HydrophobicContact CD1-CG 4.15Å; L54-M74 HydrophobicContact CD1-SD 3.56Å; L54-M74 VanDerWaalsContact CD1-SD 3.56Å; L54-M74 HydrophobicContact CG-SD 4.5Å; L70-M74 WeakPolarHBondContact O-CG 3.24Å; L70-M74 PolarHBondContact O-N 3.11Å; E71-M74 PolarHBondContact O-N 3.48Å; G72-M74 PolarHBondContact O-N 3.22Å; M74-E76 VanDerWaalsContact C-N 3.28Å; M74-E76 PolarHBondContact O-N 3.01Å; M74-A77 PolarHBondContact O-N 2.75Å; M74-I81 HydrophobicContact CE-CD1 3.9Å; M74-I81 HydrophobicContact CE-CG1 4.42Å; M74-I81 HydrophobicContact SD-CD1 3.95Å
75	S	92.7	Very high	93.3	Very high	88 Å²	88	65.9 Å²	65.9	62%	0.615	37%	0.366	S	S	*	.	H	α-helix	trans	-73.3	-16.4	179.7	77.2	0	0	0	0	114.2	E71 G72 M73 A77	E71-S75 WeakPolarHBondContact O-CB 3.34Å; E71-S75 PolarHBondContact O-N 2.91Å; G72-S75 PolarHBondContact O-N 3.03Å; G72-S75 PolarHBondContact O-OG 2.92Å; M73-S75 VanDerWaalsContact C-N 3.26Å; M73-S75 PolarHBondContact O-N 3.13Å; S75-A77 VanDerWaalsContact C-N 3.25Å; S75-A77 PolarHBondContact O-N 3.3Å
76	E	88.8	Confident	93.2	Very high	146 Å²	146	65.5 Å²	65.5	68%	0.682	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.5	174.7	-62.9	-170.7	174.3	0	0	111.9	G72 M73 M74	G72-E76 PolarHBondContact O-N 3.14Å; M73-E76 PolarHBondContact O-N 3.3Å; M74-E76 VanDerWaalsContact C-N 3.28Å; M74-E76 PolarHBondContact O-N 3.01Å
77	A	87.7	Confident	93	Very high	13 Å²	13	61.7 Å²	61.7	11%	0.107	34%	0.339	C	S	.	.	S	Bend	trans	-82.2	130.9	178.2	0	0	0	0	0	110.9	M74 S75 G79 I81 M89	M74-A77 PolarHBondContact O-N 2.75Å; S75-A77 VanDerWaalsContact C-N 3.25Å; S75-A77 PolarHBondContact O-N 3.3Å; A77-G79 WeakPolarHBondContact CB-O 3.48Å; A77-G79 PolarHBondContact O-N 3.36Å; A77-I81 HydrophobicContact CB-CD1 3.75Å; A77-I81 HydrophobicContact CB-CG1 3.48Å; A77-I81 VanDerWaalsContact CB-CG1 3.48Å; A77-M89 HydrophobicContact CB-SD 3.78Å
78	P	86	Confident	92.5	Very high	113 Å²	113	57.5 Å²	57.5	73%	0.734	32%	0.317	S	S	*	.	S	Bend	trans	-70.6	-0.6	177.4	29.8	-36.1	0	0	0	113.5	M85	P78-M85 HydrophobicContact CG-CE 3.85Å; P78-M85 HydrophobicContact CG-SD 3.74Å
79	G	90.3	Very high	92	Very high	29 Å²	29	52.6 Å²	52.6	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	-179.9	-169.8	-179.8	0	0	0	0	0	111.9	A77 I81	A77-G79 WeakPolarHBondContact CB-O 3.48Å; A77-G79 PolarHBondContact O-N 3.36Å; G79-I81 PolarHBondContact O-N 2.93Å
80	P	93.7	Very high	91.5	Very high	95 Å²	95	50.2 Å²	50.2	62%	0.617	29%	0.287	S	S	*	.			trans	-55.3	132.2	-177.9	-25.7	34.5	0	0	0	113	F48 N82	F48-P80 HydrophobicContact CD1-CB 3.92Å; F48-P80 HydrophobicContact CE1-CB 3.99Å; P80-N82 PolarHBondContact O-N 3.29Å; P80-N82 VanDerWaalsContact O-N 3.08Å
81	I	95.4	Very high	90.7	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.046	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	81	-172.6	-50.8	175.5	0	0	0	109.8	F48 I49 M74 A77 G79 F86	F48-I81 CarbonylContact C-O 3.56Å; F48-I81 WeakPolarHBondContact CA-O 3.39Å; I49-I81 HydrophobicContact CB-CB 4.12Å; I49-I81 HydrophobicContact CB-CG2 4.09Å; I49-I81 HydrophobicContact CD1-CG2 4.19Å; I49-I81 PolarHBondContact N-O 3.47Å; M74-I81 HydrophobicContact CE-CD1 3.9Å; M74-I81 HydrophobicContact CE-CG1 4.42Å; M74-I81 HydrophobicContact SD-CD1 3.95Å; A77-I81 HydrophobicContact CB-CD1 3.75Å; A77-I81 HydrophobicContact CB-CG1 3.48Å; A77-I81 VanDerWaalsContact CB-CG1 3.48Å; G79-I81 PolarHBondContact O-N 2.93Å; I81-F86 HydrophobicContact CG2-CB 4.27Å; I81-F86 HydrophobicContact CG2-CD2 4.44Å
82	N	96.1	Very high	89.7	Confident	56 Å²	56	50.2 Å²	50.2	30%	0.299	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	173.9	162.7	63.6	38.2	0	0	0	110.7	F48 P80 T84 M85 F86	F48-N82 HydrophobicContact CD1-CB 3.92Å; F48-N82 HydrophobicContact CE1-CB 3.76Å; F48-N82 HydrophobicContact CZ-CB 4.35Å; P80-N82 PolarHBondContact O-N 3.29Å; P80-N82 VanDerWaalsContact O-N 3.08Å; N82-T84 PolarHBondContact O-N 3.21Å; N82-T84 VanDerWaalsContact O-N 3.11Å; N82-T84 WeakPolarHBondContact OD1-CA 3.49Å; N82-T84 WeakPolarHBondContact OD1-CB 3.48Å; N82-T84 PolarHBondContact OD1-N 3Å; N82-M85 WeakPolarHBondContact O-CB 3.45Å; N82-M85 PolarHBondContact O-N 3.5Å; N82-M85 PolarHBondContact OD1-N 2.7Å; N82-F86 PolarHBondContact O-N 3.44Å
83	F	95.3	Very high	88.6	Confident	41 Å²	41	57.5 Å²	57.5	18%	0.18	31%	0.31	C	S	.	.	H	α-helix	trans	-55.1	-34.7	-179.8	-174.6	-121.3	0	0	0	114.2	F23 I31 F34 K35 F38 F86 L87	F23-F83 HydrophobicContact CE1-CD1 4.45Å; F23-F83 HydrophobicContact CE1-CE1 4.04Å; F23-F83 HydrophobicContact CZ-CD1 4.34Å; F23-F83 HydrophobicContact CZ-CE1 4.37Å; I31-F83 HydrophobicContact CG2-CE1 4.39Å; I31-F83 HydrophobicContact CG2-CZ 4.34Å; F34-F83 HydrophobicContact CB-CE2 4.09Å; F34-F83 HydrophobicContact CB-CZ 4.32Å; K35-F83 VanDerWaalsContact CA-CE2 3.46Å; K35-F83 HydrophobicContact CB-CE1 4.46Å; K35-F83 HydrophobicContact CB-CE2 3.95Å; K35-F83 HydrophobicContact CB-CZ 3.72Å; K35-F83 HydrophobicContact CG-CE2 4.49Å; K35-F83 HydrophobicContact CG-CZ 4.32Å; F38-F83 HydrophobicContact CB-CD2 3.72Å; F38-F83 HydrophobicContact CB-CE2 4.1Å; F38-F83 HydrophobicContact CD1-CB 4.41Å; F38-F83 HydrophobicContact CD1-CD2 4.31Å; F38-F83 HydrophobicContact CD2-CB 4.33Å; F38-F83 AromaticContact CD2-CD2 3.96Å; F38-F83 HydrophobicContact CD2-CD2 3.96Å; F38-F83 HydrophobicContact CE1-CB 4.42Å; F38-F83 HydrophobicContact CE2-CB 4.31Å; F38-F83 HydrophobicContact CG-CB 4.38Å; F38-F83 AromaticContact CG-CD2 3.72Å; F38-F83 HydrophobicContact CG-CD2 3.72Å; F38-F83 HydrophobicContact CZ-CB 4.37Å; F83-F86 HydrophobicContact CD2-CD1 4.44Å; F83-F86 HydrophobicContact CE2-CD1 4.46Å; F83-F86 WeakPolarHBondContact O-CB 3.5Å; F83-F86 PolarHBondContact O-N 2.81Å; F83-L87 HydrophobicContact CD1-CD1 4.3Å; F83-L87 HydrophobicContact CE1-CD1 3.76Å; F83-L87 HydrophobicContact CE1-CG 4.26Å; F83-L87 HydrophobicContact CE2-CD1 4.5Å; F83-L87 HydrophobicContact CE2-CD2 4.16Å; F83-L87 HydrophobicContact CE2-CG 4.13Å; F83-L87 HydrophobicContact CZ-CD1 3.87Å; F83-L87 HydrophobicContact CZ-CD2 4.02Å; F83-L87 HydrophobicContact CZ-CG 3.97Å; F83-L87 WeakPolarHBondContact O-CG 3.23Å; F83-L87 PolarHBondContact O-N 3.28Å
84	T	92.5	Very high	87.3	Confident	43 Å²	43	59.7 Å²	59.7	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-68.2	-41.8	176.7	-51.3	0	0	0	0	111.5	T19 V22 F23 N82 L87 T88	T19-T84 HydrophobicContact CG2-CG2 3.94Å; V22-T84 HydrophobicContact CG1-CG2 4.1Å; F23-T84 HydrophobicContact CE2-CG2 4.16Å; N82-T84 PolarHBondContact O-N 3.21Å; N82-T84 VanDerWaalsContact O-N 3.11Å; N82-T84 WeakPolarHBondContact OD1-CA 3.49Å; N82-T84 WeakPolarHBondContact OD1-CB 3.48Å; N82-T84 PolarHBondContact OD1-N 3Å; T84-L87 PolarHBondContact O-N 3.43Å; T84-T88 PolarHBondContact O-N 2.94Å; T84-T88 PolarHBondContact O-OG1 3.04Å
85	M	91.9	Very high	85.8	Confident	31 Å²	31	60.4 Å²	60.4	15%	0.153	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-42	176.4	-176.3	57.4	70.3	0	0	110.7	P78 N82 L87 T88 M89	P78-M85 HydrophobicContact CG-CE 3.85Å; P78-M85 HydrophobicContact CG-SD 3.74Å; N82-M85 WeakPolarHBondContact O-CB 3.45Å; N82-M85 PolarHBondContact O-N 3.5Å; N82-M85 PolarHBondContact OD1-N 2.7Å; M85-L87 PolarHBondContact O-N 2.76Å; M85-T88 CarbonylContact O-C 3.22Å; M85-T88 WeakPolarHBondContact O-CA 3.37Å; M85-T88 WeakPolarHBondContact O-CB 3.33Å; M85-T88 PolarHBondContact O-N 2.76Å; M85-M89 HydrophobicContact CG-SD 4.38Å; M85-M89 WeakPolarHBondContact O-CG 3.2Å; M85-M89 PolarHBondContact O-N 3.24Å
86	F	92.4	Very high	84.5	Confident	11 Å²	11	59.1 Å²	59.1	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-54.8	-52.9	173.7	-173.7	-99.6	0	0	0	111	F34 A37 F38 I41 I49 I81 N82 F83 T88 M89 F90	F34-F86 HydrophobicContact CB-CE1 4.32Å; F34-F86 HydrophobicContact CD1-CE1 4.2Å; A37-F86 HydrophobicContact CB-CZ 4.36Å; F38-F86 HydrophobicContact CB-CD1 4.29Å; F38-F86 HydrophobicContact CB-CE1 4.28Å; F38-F86 HydrophobicContact CD2-CB 3.73Å; F38-F86 HydrophobicContact CD2-CD1 4.08Å; F38-F86 AromaticContact CD2-CD2 3.98Å; F38-F86 HydrophobicContact CD2-CD2 3.98Å; F38-F86 AromaticContact CD2-CG 3.69Å; F38-F86 HydrophobicContact CD2-CG 3.69Å; F38-F86 HydrophobicContact CE2-CB 4.05Å; F38-F86 HydrophobicContact CE2-CG 4.41Å; I41-F86 HydrophobicContact CD1-CE2 3.84Å; I41-F86 HydrophobicContact CD1-CZ 4.22Å; I49-F86 HydrophobicContact CD1-CD2 3.81Å; I49-F86 HydrophobicContact CD1-CE2 4.02Å; I81-F86 HydrophobicContact CG2-CB 4.27Å; I81-F86 HydrophobicContact CG2-CD2 4.44Å; N82-F86 PolarHBondContact O-N 3.44Å; F83-F86 HydrophobicContact CD2-CD1 4.44Å; F83-F86 HydrophobicContact CE2-CD1 4.46Å; F83-F86 WeakPolarHBondContact O-CB 3.5Å; F83-F86 PolarHBondContact O-N 2.81Å; F86-T88 PolarHBondContact O-N 3.47Å; F86-M89 PolarHBondContact O-N 3.39Å; F86-F90 AromaticContact CD1-CD2 3.99Å; F86-F90 HydrophobicContact CD1-CD2 3.99Å; F86-F90 HydrophobicContact CD1-CE2 4.11Å; F86-F90 HydrophobicContact CD2-CD2 4.34Å; F86-F90 AromaticContact CD2-CE2 3.94Å; F86-F90 HydrophobicContact CD2-CE2 3.94Å; F86-F90 AromaticContact CE1-CD2 3.83Å; F86-F90 HydrophobicContact CE1-CD2 3.83Å; F86-F90 AromaticContact CE1-CE2 3.6Å; F86-F90 HydrophobicContact CE1-CE2 3.6Å; F86-F90 HydrophobicContact CE1-CZ 4.42Å; F86-F90 HydrophobicContact CE2-CD2 4.21Å; F86-F90 AromaticContact CE2-CE2 3.43Å; F86-F90 HydrophobicContact CE2-CE2 3.43Å; F86-F90 VanDerWaalsContact CE2-CE2 3.43Å; F86-F90 HydrophobicContact CE2-CZ 4.29Å; F86-F90 HydrophobicContact CG-CD2 4.25Å; F86-F90 HydrophobicContact CG-CE2 4.27Å; F86-F90 AromaticContact CZ-CD2 3.95Å; F86-F90 HydrophobicContact CZ-CD2 3.95Å; F86-F90 AromaticContact CZ-CE2 3.23Å; F86-F90 HydrophobicContact CZ-CE2 3.23Å; F86-F90 AromaticContact CZ-CZ 3.9Å; F86-F90 HydrophobicContact CZ-CZ 3.9Å; F86-F90 WeakPolarHBondContact O-CD2 3.22Å; F86-F90 PolarHBondContact O-N 3.01Å
87	L	90.8	Very high	83.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-33.2	173.8	-69.5	-178.4	0	0	0	112.9	V22 F23 F26 F34 F83 T84 M85 G91	V22-L87 HydrophobicContact CG1-CB 4.27Å; V22-L87 HydrophobicContact CG2-CB 3.92Å; V22-L87 VanDerWaalsContact CG2-O 3.29Å; V22-L87 WeakPolarHBondContact CG2-O 3.37Å; F23-L87 HydrophobicContact CD1-CD1 3.74Å; F23-L87 HydrophobicContact CE1-CD1 3.36Å; F23-L87 HydrophobicContact CE2-CD1 4.35Å; F23-L87 HydrophobicContact CG-CD1 4.39Å; F23-L87 HydrophobicContact CZ-CD1 3.7Å; F26-L87 HydrophobicContact CD2-CD2 4.38Å; F26-L87 HydrophobicContact CE2-CB 4.43Å; F26-L87 HydrophobicContact CE2-CD2 4.38Å; F34-L87 HydrophobicContact CB-CD2 3.51Å; F34-L87 HydrophobicContact CD2-CD2 3.53Å; F34-L87 HydrophobicContact CE2-CD2 4.42Å; F34-L87 HydrophobicContact CG-CD2 3.62Å; F83-L87 HydrophobicContact CD1-CD1 4.3Å; F83-L87 HydrophobicContact CE1-CD1 3.76Å; F83-L87 HydrophobicContact CE1-CG 4.26Å; F83-L87 HydrophobicContact CE2-CD1 4.5Å; F83-L87 HydrophobicContact CE2-CD2 4.16Å; F83-L87 HydrophobicContact CE2-CG 4.13Å; F83-L87 HydrophobicContact CZ-CD1 3.87Å; F83-L87 HydrophobicContact CZ-CD2 4.02Å; F83-L87 HydrophobicContact CZ-CG 3.97Å; F83-L87 WeakPolarHBondContact O-CG 3.23Å; F83-L87 PolarHBondContact O-N 3.28Å; T84-L87 PolarHBondContact O-N 3.43Å; M85-L87 PolarHBondContact O-N 2.76Å; L87-G91 WeakPolarHBondContact O-CA 3.48Å; L87-G91 PolarHBondContact O-N 3.26Å
88	T	86.6	Confident	83.3	Confident	12 Å²	12	58.7 Å²	58.7	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-45	179.1	-55.6	0	0	0	0	110.3	T84 M85 F86 G91 E92	T84-T88 PolarHBondContact O-N 2.94Å; T84-T88 PolarHBondContact O-OG1 3.04Å; M85-T88 CarbonylContact O-C 3.22Å; M85-T88 WeakPolarHBondContact O-CA 3.37Å; M85-T88 WeakPolarHBondContact O-CB 3.33Å; M85-T88 PolarHBondContact O-N 2.76Å; F86-T88 PolarHBondContact O-N 3.47Å; T88-G91 CarbonylContact O-C 3.51Å; T88-G91 PolarHBondContact O-N 3.26Å; T88-E92 HydrophobicContact CG2-CG 4.32Å; T88-E92 WeakPolarHBondContact CG2-OE1 3.36Å; T88-E92 WeakPolarHBondContact O-CB 3.16Å; T88-E92 VanDerWaalsContact O-CG 3.29Å; T88-E92 WeakPolarHBondContact O-CG 3.29Å; T88-E92 PolarHBondContact O-N 3.34Å
89	M	86.2	Confident	83.1	Confident	44 Å²	44	56.7 Å²	56.7	22%	0.217	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-46.1	175.6	-69.9	168.7	43.1	0	0	111.9	A77 M85 F86 G91 K93	A77-M89 HydrophobicContact CB-SD 3.78Å; M85-M89 HydrophobicContact CG-SD 4.38Å; M85-M89 WeakPolarHBondContact O-CG 3.2Å; M85-M89 PolarHBondContact O-N 3.24Å; F86-M89 PolarHBondContact O-N 3.39Å; M89-G91 VanDerWaalsContact C-N 3.35Å; M89-K93 WeakPolarHBondContact O-CB 3.49Å; M89-K93 PolarHBondContact O-N 3.14Å
90	F	83.2	Confident	82.9	Confident	81 Å²	81	58.3 Å²	58.3	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-38.5	175.1	-82.5	-87.8	0	0	0	111.9	F26 F34 F86 K93 L94	F26-F90 HydrophobicContact CZ-CB 4.46Å; F34-F90 HydrophobicContact CD1-CD1 4.35Å; F34-F90 HydrophobicContact CD1-CG 4.21Å; F34-F90 HydrophobicContact CE1-CB 3.97Å; F34-F90 AromaticContact CE1-CD1 3.58Å; F34-F90 HydrophobicContact CE1-CD1 3.58Å; F34-F90 HydrophobicContact CE1-CD2 4.43Å; F34-F90 HydrophobicContact CE1-CE1 4.17Å; F34-F90 AromaticContact CE1-CG 3.72Å; F34-F90 HydrophobicContact CE1-CG 3.72Å; F34-F90 HydrophobicContact CZ-CB 4.2Å; F34-F90 HydrophobicContact CZ-CD1 4.34Å; F34-F90 HydrophobicContact CZ-CG 4.42Å; F86-F90 AromaticContact CD1-CD2 3.99Å; F86-F90 HydrophobicContact CD1-CD2 3.99Å; F86-F90 HydrophobicContact CD1-CE2 4.11Å; F86-F90 HydrophobicContact CD2-CD2 4.34Å; F86-F90 AromaticContact CD2-CE2 3.94Å; F86-F90 HydrophobicContact CD2-CE2 3.94Å; F86-F90 AromaticContact CE1-CD2 3.83Å; F86-F90 HydrophobicContact CE1-CD2 3.83Å; F86-F90 AromaticContact CE1-CE2 3.6Å; F86-F90 HydrophobicContact CE1-CE2 3.6Å; F86-F90 HydrophobicContact CE1-CZ 4.42Å; F86-F90 HydrophobicContact CE2-CD2 4.21Å; F86-F90 AromaticContact CE2-CE2 3.43Å; F86-F90 HydrophobicContact CE2-CE2 3.43Å; F86-F90 VanDerWaalsContact CE2-CE2 3.43Å; F86-F90 HydrophobicContact CE2-CZ 4.29Å; F86-F90 HydrophobicContact CG-CD2 4.25Å; F86-F90 HydrophobicContact CG-CE2 4.27Å; F86-F90 AromaticContact CZ-CD2 3.95Å; F86-F90 HydrophobicContact CZ-CD2 3.95Å; F86-F90 AromaticContact CZ-CE2 3.23Å; F86-F90 HydrophobicContact CZ-CE2 3.23Å; F86-F90 AromaticContact CZ-CZ 3.9Å; F86-F90 HydrophobicContact CZ-CZ 3.9Å; F86-F90 WeakPolarHBondContact O-CD2 3.22Å; F86-F90 PolarHBondContact O-N 3.01Å; F90-K93 PolarHBondContact O-N 3.29Å; F90-L94 HydrophobicContact CB-CD1 4.5Å; F90-L94 WeakPolarHBondContact O-CB 3.33Å; F90-L94 WeakPolarHBondContact O-CG 3.44Å; F90-L94 PolarHBondContact O-N 2.94Å
91	G	79.4	Confident	82.7	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-41.7	177.6	0	0	0	0	0	112.2	F26 L87 T88 M89 K93 N95	F26-G91 VanDerWaalsContact CZ-CA 3.5Å; L87-G91 WeakPolarHBondContact O-CA 3.48Å; L87-G91 PolarHBondContact O-N 3.26Å; T88-G91 CarbonylContact O-C 3.51Å; T88-G91 PolarHBondContact O-N 3.26Å; M89-G91 VanDerWaalsContact C-N 3.35Å; G91-K93 VanDerWaalsContact C-N 3.32Å; G91-N95 CarbonylContact O-C 3.59Å; G91-N95 VanDerWaalsContact O-CA 3.23Å; G91-N95 WeakPolarHBondContact O-CA 3.18Å; G91-N95 WeakPolarHBondContact O-CB 3.44Å; G91-N95 PolarHBondContact O-N 3.5Å
92	E	75.3	Confident	82.5	Confident	112 Å²	112	60 Å²	60	52%	0.523	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-32	174.2	-73	174.3	177.1	0	0	111.4	T88 G96	T88-E92 HydrophobicContact CG2-CG 4.32Å; T88-E92 WeakPolarHBondContact CG2-OE1 3.36Å; T88-E92 WeakPolarHBondContact O-CB 3.16Å; T88-E92 VanDerWaalsContact O-CG 3.29Å; T88-E92 WeakPolarHBondContact O-CG 3.29Å; T88-E92 PolarHBondContact O-N 3.34Å; E92-G96 WeakPolarHBondContact O-CA 3.4Å; E92-G96 PolarHBondContact O-N 3.21Å
93	K	70	Confident	82.2	Confident	184 Å²	184	58.2 Å²	58.2	80%	0.8	31%	0.313	S	S	*	.	H	α-helix	trans	-76.1	-37.3	175.4	-162.5	66.9	175.8	-176.2	0	113	M89 F90 G91	M89-K93 WeakPolarHBondContact O-CB 3.49Å; M89-K93 PolarHBondContact O-N 3.14Å; F90-K93 PolarHBondContact O-N 3.29Å; G91-K93 VanDerWaalsContact C-N 3.32Å
94	L	64.6	Low	82.2	Confident	98 Å²	98	60.3 Å²	60.3	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-85.3	-33	-178.7	-68.1	169.5	0	0	0	112.7	F26 F34 F90	F26-L94 HydrophobicContact CE1-CD1 3.72Å; F26-L94 HydrophobicContact CZ-CD1 4.19Å; F34-L94 HydrophobicContact CZ-CD1 3.91Å; F90-L94 HydrophobicContact CB-CD1 4.5Å; F90-L94 WeakPolarHBondContact O-CB 3.33Å; F90-L94 WeakPolarHBondContact O-CG 3.44Å; F90-L94 PolarHBondContact O-N 2.94Å
95	N	63.5	Low	82.2	Confident	61 Å²	61	62.6 Å²	62.6	33%	0.326	33%	0.33	S	S	.	.	S	Bend	trans	-120.4	27.7	-179.3	-58.5	-32.4	0	0	0	112.2	M25 G91 T97	M25-N95 WeakPolarHBondContact CB-ND2 3.39Å; M25-N95 HydrophobicContact SD-CB 4.39Å; G91-N95 CarbonylContact O-C 3.59Å; G91-N95 VanDerWaalsContact O-CA 3.23Å; G91-N95 WeakPolarHBondContact O-CA 3.18Å; G91-N95 WeakPolarHBondContact O-CB 3.44Å; G91-N95 PolarHBondContact O-N 3.5Å; N95-T97 PolarHBondContact O-N 2.86Å; N95-T97 VanDerWaalsContact O-O 3.12Å
96	G	66	Low	82.2	Confident	61 Å²	61	63.8 Å²	63.8	63%	0.629	35%	0.345	S	S	*	.			trans	-62.4	2.5	177.3	0	0	0	0	0	114.8	E92	E92-G96 WeakPolarHBondContact O-CA 3.4Å; E92-G96 PolarHBondContact O-N 3.21Å
97	T	70	Confident	82.4	Confident	46 Å²	46	64.7 Å²	64.7	28%	0.282	35%	0.349	S	S	.	.	S	Bend	trans	-120	147.3	177.7	61	0	0	0	0	109.4	N95 L163 K164	N95-T97 PolarHBondContact O-N 2.86Å; N95-T97 VanDerWaalsContact O-O 3.12Å; T97-L163 HydrophobicContact CG2-CD1 4.01Å; T97-L163 HydrophobicContact CG2-CD2 4.02Å; T97-L163 HydrophobicContact CG2-CG 3.94Å; T97-K164 PolarHBondContact O-NZ 3.25Å; T97-K164 WeakPolarHBondContact OG1-CD 3.18Å; T97-K164 WeakPolarHBondContact OG1-CE 3.34Å; T97-K164 PolarHBondContact OG1-NZ 2.82Å
98	D	81	Confident	82.6	Confident	104 Å²	104	66.5 Å²	66.5	56%	0.556	36%	0.364	S	S	*	.			trans	-55.8	162	175.7	-74.2	-44.9	0	0	0	112.3	V102 I103 K164	D98-V102 HydrophobicContact CB-CB 3.95Å; D98-V102 HydrophobicContact CB-CG1 3.72Å; D98-I103 HydrophobicContact CB-CG1 3.91Å; D98-I103 WeakPolarHBondContact O-CD1 3.46Å; D98-I103 WeakPolarHBondContact O-CG1 3.49Å; D98-K164 WeakPolarHBondContact O-CE 3.26Å; D98-K164 PolarHBondContact O-NZ 2.62Å
99	P	81.2	Confident	82.9	Confident	72 Å²	72	70.7 Å²	70.7	47%	0.468	39%	0.393	S	S	.	.			trans	-47.6	146.2	171.9	-28.3	36.2	0	0	0	112.9	D101 V102 I103	P99-D101 WeakPolarHBondContact CB-OD1 2.78Å; P99-D101 PolarHBondContact O-N 2.88Å; P99-D101 VanDerWaalsContact O-N 3.15Å; P99-V102 HydrophobicContact CB-CB 4.43Å; P99-V102 HydrophobicContact CB-CG2 4.05Å; P99-V102 HydrophobicContact CG-CG2 4.18Å; P99-V102 WeakPolarHBondContact O-CA 3.33Å; P99-V102 WeakPolarHBondContact O-CB 2.91Å; P99-V102 PolarHBondContact O-N 2.69Å; P99-I103 PolarHBondContact O-N 3.2Å
100	E	86.4	Confident	83.3	Confident	62 Å²	62	72.4 Å²	72.4	29%	0.29	40%	0.399	S	S	.	.	H	α-helix	trans	-52.9	-40.4	-175.6	171.5	169.2	-176.1	0	0	112.7	V102 I103 R104 T160 K164 H165	E100-V102 VanDerWaalsContact C-N 3.35Å; E100-I103 PolarHBondContact O-N 3.45Å; E100-R104 VanDerWaalsContact O-CB 3.26Å; E100-R104 WeakPolarHBondContact O-CB 3.45Å; E100-R104 PolarHBondContact O-N 2.74Å; E100-T160 HydrophobicContact CB-CG2 4.27Å; E100-T160 HydrophobicContact CG-CG2 3.73Å; E100-K164 HydrophobicContact CB-CG 4.21Å; E100-H165 IonicContact OE2-NE2 3.75Å
101	D	89.2	Confident	83.9	Confident	78 Å²	78	69.2 Å²	69.2	42%	0.417	39%	0.386	S	S	.	.	H	α-helix	trans	-66.1	-36.3	177	62.7	-52.9	0	0	0	112.6	P99 N105	P99-D101 WeakPolarHBondContact CB-OD1 2.78Å; P99-D101 PolarHBondContact O-N 2.88Å; P99-D101 VanDerWaalsContact O-N 3.15Å; D101-N105 WeakPolarHBondContact O-CB 3.1Å; D101-N105 PolarHBondContact O-N 2.7Å; D101-N105 PolarHBondContact O-ND2 2.88Å; D101-N105 PolarHBondContact O-OD1 3.17Å
102	V	90.1	Very high	84.4	Confident	61 Å²	61	78.4 Å²	78.4	37%	0.37	43%	0.428	S	S	.	.	H	α-helix	trans	-67	-46.5	176	176.4	0	0	0	0	110.7	D98 P99 E100 N105 A106	D98-V102 HydrophobicContact CB-CB 3.95Å; D98-V102 HydrophobicContact CB-CG1 3.72Å; P99-V102 HydrophobicContact CB-CB 4.43Å; P99-V102 HydrophobicContact CB-CG2 4.05Å; P99-V102 HydrophobicContact CG-CG2 4.18Å; P99-V102 WeakPolarHBondContact O-CA 3.33Å; P99-V102 WeakPolarHBondContact O-CB 2.91Å; P99-V102 PolarHBondContact O-N 2.69Å; E100-V102 VanDerWaalsContact C-N 3.35Å; V102-N105 PolarHBondContact O-N 3.02Å; V102-A106 PolarHBondContact O-N 3.06Å
103	I	91.7	Very high	85.3	Confident	19 Å²	19	81.2 Å²	81.2	10%	0.097	44%	0.442	C	S	.	.	H	α-helix	trans	-61.9	-47.6	177.1	-58.4	170.4	0	0	0	110.4	D98 P99 E100 N105 A106 F107 T160 L163	D98-I103 HydrophobicContact CB-CG1 3.91Å; D98-I103 WeakPolarHBondContact O-CD1 3.46Å; D98-I103 WeakPolarHBondContact O-CG1 3.49Å; P99-I103 PolarHBondContact O-N 3.2Å; E100-I103 PolarHBondContact O-N 3.45Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 2.86Å; I103-A106 WeakPolarHBondContact O-CB 3.38Å; I103-A106 PolarHBondContact O-N 2.89Å; I103-A106 VanDerWaalsContact O-N 3.11Å; I103-F107 HydrophobicContact CG2-CD2 4.07Å; I103-F107 HydrophobicContact CG2-CE2 3.83Å; I103-F107 WeakPolarHBondContact O-CD2 3.35Å; I103-F107 PolarHBondContact O-N 3.15Å; I103-T160 HydrophobicContact CB-CG2 3.66Å; I103-T160 HydrophobicContact CD1-CG2 4.16Å; I103-T160 HydrophobicContact CG2-CG2 3.68Å; I103-L163 HydrophobicContact CD1-CD2 4.04Å
104	R	93.4	Very high	86.4	Confident	86 Å²	86	76.4 Å²	76.4	33%	0.325	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-41.7	178.5	-175.4	179.1	60.5	-117.6	-5.3	111.5	E100 A106 F107 A108 Y156	E100-R104 VanDerWaalsContact O-CB 3.26Å; E100-R104 WeakPolarHBondContact O-CB 3.45Å; E100-R104 PolarHBondContact O-N 2.74Å; R104-A106 VanDerWaalsContact C-N 3.29Å; R104-A106 PolarHBondContact O-N 3.17Å; R104-F107 PolarHBondContact O-N 3.43Å; R104-A108 WeakPolarHBondContact O-CB 3.38Å; R104-A108 PolarHBondContact O-N 3.43Å; R104-Y156 HydrophobicContact CG-CD2 4.23Å; R104-Y156 HydrophobicContact CG-CE2 3.94Å
105	N	93.4	Very high	87.9	Confident	91 Å²	91	74.5 Å²	74.5	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-65.1	-33.8	176.8	-70.2	-19.3	0	0	0	111.8	D101 V102 I103 A108 C109	D101-N105 WeakPolarHBondContact O-CB 3.1Å; D101-N105 PolarHBondContact O-N 2.7Å; D101-N105 PolarHBondContact O-ND2 2.88Å; D101-N105 PolarHBondContact O-OD1 3.17Å; V102-N105 PolarHBondContact O-N 3.02Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 2.86Å; N105-A108 PolarHBondContact O-N 2.82Å; N105-C109 PolarHBondContact O-N 2.9Å; N105-C109 PolarHBondContact O-SG 2.84Å
106	A	92.8	Very high	89.5	Confident	55 Å²	55	72.1 Å²	72.1	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-63.7	-44.4	175.7	0	0	0	0	0	111.9	V102 I103 R104 C109 F110	V102-A106 PolarHBondContact O-N 3.06Å; I103-A106 WeakPolarHBondContact O-CB 3.38Å; I103-A106 PolarHBondContact O-N 2.89Å; I103-A106 VanDerWaalsContact O-N 3.11Å; R104-A106 VanDerWaalsContact C-N 3.29Å; R104-A106 PolarHBondContact O-N 3.17Å; A106-C109 WeakPolarHBondContact O-CB 3.46Å; A106-F110 WeakPolarHBondContact O-CD2 3.17Å
107	F	95.3	Very high	91	Very high	30 Å²	30	72.9 Å²	72.9	13%	0.132	41%	0.407	C	S	.	.	H	α-helix	trans	-66.5	-41.6	172.8	-75.3	-69.2	0	0	0	112.4	I103 R104 C109 F110 I118 L123 F154 Y156 F159	I103-F107 HydrophobicContact CG2-CD2 4.07Å; I103-F107 HydrophobicContact CG2-CE2 3.83Å; I103-F107 WeakPolarHBondContact O-CD2 3.35Å; I103-F107 PolarHBondContact O-N 3.15Å; R104-F107 PolarHBondContact O-N 3.43Å; F107-C109 PolarHBondContact O-N 3.02Å; F107-C109 VanDerWaalsContact O-N 3.07Å; F107-F110 PolarHBondContact O-N 3.31Å; F107-I118 HydrophobicContact CB-CD1 4.08Å; F107-I118 HydrophobicContact CD1-CD1 3.77Å; F107-I118 HydrophobicContact CG-CD1 4.41Å; F107-L123 HydrophobicContact CD1-CD1 4.42Å; F107-L123 HydrophobicContact CE1-CD1 3.92Å; F107-F154 HydrophobicContact CD1-CE1 4.39Å; F107-F154 AromaticContact CE1-CE1 3.85Å; F107-F154 HydrophobicContact CE1-CE1 3.85Å; F107-F154 HydrophobicContact CE1-CZ 4.42Å; F107-F154 AromaticContact CZ-CE1 3.99Å; F107-F154 HydrophobicContact CZ-CE1 3.99Å; F107-F154 HydrophobicContact CZ-CZ 4.26Å; F107-Y156 HydrophobicContact CB-CD1 4.01Å; F107-Y156 HydrophobicContact CB-CD2 3.44Å; F107-Y156 VanDerWaalsContact CB-CD2 3.44Å; F107-Y156 HydrophobicContact CB-CE2 4.02Å; F107-Y156 HydrophobicContact CB-CG 3.45Å; F107-Y156 VanDerWaalsContact CB-CG 3.45Å; F107-Y156 HydrophobicContact CD2-CD2 4.38Å; F107-Y156 HydrophobicContact CD2-CG 4.36Å; F107-Y156 HydrophobicContact CG-CD2 4.15Å; F107-Y156 AromaticContact CG-CG 3.91Å; F107-Y156 HydrophobicContact CG-CG 3.91Å; F107-F159 HydrophobicContact CE2-CD1 4.07Å; F107-F159 HydrophobicContact CE2-CE1 4.38Å; F107-F159 HydrophobicContact CZ-CD1 4.08Å; F107-F159 HydrophobicContact CZ-CE1 4.15Å
108	A	94.8	Very high	92.3	Very high	39 Å²	39	71 Å²	71	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-59.5	-22.7	-179.4	0	0	0	0	0	113.5	R104 N105 F110 D111	R104-A108 WeakPolarHBondContact O-CB 3.38Å; R104-A108 PolarHBondContact O-N 3.43Å; N105-A108 PolarHBondContact O-N 2.82Å; A108-F110 PolarHBondContact O-N 3.27Å; A108-D111 PolarHBondContact O-N 3.22Å
109	C	94.5	Very high	93.1	Very high	100 Å²	100	69.8 Å²	69.8	68%	0.676	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.1	171.4	-69.1	0	0	0	0	113.9	N105 A106 F107	N105-C109 PolarHBondContact O-N 2.9Å; N105-C109 PolarHBondContact O-SG 2.84Å; A106-C109 WeakPolarHBondContact O-CB 3.46Å; F107-C109 PolarHBondContact O-N 3.02Å; F107-C109 VanDerWaalsContact O-N 3.07Å
110	F	93.5	Very high	93.8	Very high	80 Å²	80	69.3 Å²	69.3	35%	0.351	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	1.7	-178.4	-55.2	-76.6	0	0	0	113.4	A106 F107 A108 I118 L126 M130	A106-F110 WeakPolarHBondContact O-CD2 3.17Å; F107-F110 PolarHBondContact O-N 3.31Å; A108-F110 PolarHBondContact O-N 3.27Å; F110-I118 HydrophobicContact CB-CD1 4.07Å; F110-L126 HydrophobicContact CB-CD1 3.73Å; F110-L126 HydrophobicContact CD1-CD1 3.46Å; F110-L126 VanDerWaalsContact CD1-CD1 3.46Å; F110-L126 HydrophobicContact CD1-CD2 3.62Å; F110-L126 HydrophobicContact CD1-CG 4.19Å; F110-L126 HydrophobicContact CD2-CD1 3.9Å; F110-L126 HydrophobicContact CE1-CD1 3.97Å; F110-L126 HydrophobicContact CE1-CD2 3.49Å; F110-L126 VanDerWaalsContact CE1-CD2 3.49Å; F110-L126 HydrophobicContact CE1-CG 4.32Å; F110-L126 HydrophobicContact CE2-CD1 4.35Å; F110-L126 HydrophobicContact CG-CD1 3.41Å; F110-L126 VanDerWaalsContact CG-CD1 3.41Å; F110-L126 HydrophobicContact CG-CD2 4.43Å; F110-L126 HydrophobicContact CZ-CD1 4.38Å; F110-L126 HydrophobicContact CZ-CD2 4.22Å; F110-M130 HydrophobicContact CE1-CE 4.35Å; F110-M130 HydrophobicContact CE1-SD 3.95Å; F110-M130 HydrophobicContact CZ-SD 4.06Å
111	D	95	Very high	94.3	Very high	13 Å²	13	71.2 Å²	71.2	7%	0.07	39%	0.389	C	S	.	.			trans	-112.1	78.9	176.7	173.5	23	0	0	0	108.6	A108 E113 A114 S115 G116 I118 Y156	A108-D111 PolarHBondContact O-N 3.22Å; D111-E113 PolarHBondContact O-N 2.92Å; D111-E113 VanDerWaalsContact O-N 3.15Å; D111-A114 PolarHBondContact O-N 2.91Å; D111-A114 PolarHBondContact OD1-N 3.35Å; D111-A114 VanDerWaalsContact OD2-C 3.29Å; D111-A114 WeakPolarHBondContact OD2-CA 3.32Å; D111-S115 VanDerWaalsContact CG-N 3.3Å; D111-S115 PolarHBondContact OD1-N 3.38Å; D111-S115 PolarHBondContact OD1-OG 3.32Å; D111-S115 PolarHBondContact OD2-N 3.05Å; D111-S115 PolarHBondContact OD2-OG 2.97Å; D111-G116 PolarHBondContact OD2-N 3.06Å; D111-I118 HydrophobicContact CB-CG1 4.3Å; D111-Y156 HydrophobicContact CB-CE1 3.78Å; D111-Y156 VanDerWaalsContact OD2-CE1 3.28Å; D111-Y156 WeakPolarHBondContact OD2-CE1 3.4Å; D111-Y156 PolarHBondContact OD2-OH 2.9Å
112	E	91.4	Very high	94.7	Very high	195 Å²	195	71.1 Å²	71.1	91%	0.911	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.2	-177.2	-63.9	-173.6	176.4	0	0	112.9	A114	E112-A114 VanDerWaalsContact C-N 3.31Å
113	E	93.6	Very high	95	Very high	171 Å²	171	68.4 Å²	68.4	80%	0.799	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.3	179.8	-60.5	-170.2	165.1	0	0	113	D111 S115	D111-E113 PolarHBondContact O-N 2.92Å; D111-E113 VanDerWaalsContact O-N 3.15Å; E113-S115 PolarHBondContact O-N 2.89Å
114	A	93.6	Very high	95.2	Very high	83 Å²	83	70 Å²	70	69%	0.686	37%	0.374	S	S	*	.			trans	49.9	37.6	-171.9	0	0	0	0	0	112.3	D111 E112 G116	D111-A114 PolarHBondContact O-N 2.91Å; D111-A114 PolarHBondContact OD1-N 3.35Å; D111-A114 VanDerWaalsContact OD2-C 3.29Å; D111-A114 WeakPolarHBondContact OD2-CA 3.32Å; E112-A114 VanDerWaalsContact C-N 3.31Å; A114-G116 VanDerWaalsContact C-N 3.29Å; A114-G116 PolarHBondContact O-N 3.47Å
115	S	96.1	Very high	95.4	Very high	58 Å²	58	71.7 Å²	71.7	41%	0.406	39%	0.386	S	S	.	.			trans	-71.4	-23.3	-177.1	66.9	0	0	0	0	113.1	D111 E113 F117	D111-S115 VanDerWaalsContact CG-N 3.3Å; D111-S115 PolarHBondContact OD1-N 3.38Å; D111-S115 PolarHBondContact OD1-OG 3.32Å; D111-S115 PolarHBondContact OD2-N 3.05Å; D111-S115 PolarHBondContact OD2-OG 2.97Å; E113-S115 PolarHBondContact O-N 2.89Å; S115-F117 VanDerWaalsContact O-CD2 3.26Å; S115-F117 WeakPolarHBondContact O-CD2 3.22Å; S115-F117 PolarHBondContact OG-N 3.36Å; S115-F117 PolarHBondContact OG-O 3.35Å
116	G	96.7	Very high	95.5	Very high	10 Å²	10	68 Å²	68	10%	0.103	37%	0.366	C	S	.	.	S	Bend	trans	87.7	4.3	-167.5	0	0	0	0	0	113.6	D111 A114 Y156	D111-G116 PolarHBondContact OD2-N 3.06Å; A114-G116 VanDerWaalsContact C-N 3.29Å; A114-G116 PolarHBondContact O-N 3.47Å; G116-Y156 VanDerWaalsContact C-CD1 3.46Å; G116-Y156 WeakPolarHBondContact CA-OH 3.38Å; G116-Y156 VanDerWaalsContact O-CD1 3.24Å; G116-Y156 WeakPolarHBondContact O-CD1 3.29Å; G116-Y156 WeakPolarHBondContact O-CE1 3.26Å; G116-Y156 PolarHBondContact O-N 3.28Å
117	F	97.7	Very high	95.6	Very high	78 Å²	78	67 Å²	67	34%	0.342	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.6	-175.5	-59.3	-91.5	0	0	0	112.7	S115 N153 F154 N155 Y156	S115-F117 VanDerWaalsContact O-CD2 3.26Å; S115-F117 WeakPolarHBondContact O-CD2 3.22Å; S115-F117 PolarHBondContact OG-N 3.36Å; S115-F117 PolarHBondContact OG-O 3.35Å; F117-N153 HydrophobicContact CB-CB 4.26Å; F117-N153 HydrophobicContact CD1-CB 3.91Å; F117-N153 HydrophobicContact CG-CB 4.35Å; F117-F154 VanDerWaalsContact CA-O 3.26Å; F117-F154 WeakPolarHBondContact CA-O 3.23Å; F117-N155 HydrophobicContact CD1-CB 3.94Å; F117-N155 HydrophobicContact CE1-CB 3.62Å; F117-N155 HydrophobicContact CZ-CB 4.48Å; F117-Y156 VanDerWaalsContact N-CE1 3.28Å
118	I	97.2	Very high	95.7	Very high	6 Å²	6	67.4 Å²	67.4	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.3	166.4	-60	165.7	0	0	0	106.8	F107 F110 D111 H122 L123 F154 Y156	F107-I118 HydrophobicContact CB-CD1 4.08Å; F107-I118 HydrophobicContact CD1-CD1 3.77Å; F107-I118 HydrophobicContact CG-CD1 4.41Å; F110-I118 HydrophobicContact CB-CD1 4.07Å; D111-I118 HydrophobicContact CB-CG1 4.3Å; I118-H122 HydrophobicContact CG2-CB 4.36Å; I118-L123 HydrophobicContact CG2-CB 3.93Å; I118-F154 PolarHBondContact N-O 3.25Å; I118-F154 WeakPolarHBondContact O-CA 3.46Å; I118-F154 VanDerWaalsContact O-CB 3.28Å; I118-F154 WeakPolarHBondContact O-CB 3.49Å; I118-F154 PolarHBondContact O-N 3.37Å; I118-Y156 HydrophobicContact CD1-CD1 4.05Å; I118-Y156 HydrophobicContact CG1-CD1 3.93Å; I118-Y156 HydrophobicContact CG1-CE1 4.2Å
119	H	97.4	Very high	95.7	Very high	79 Å²	79	68.6 Å²	68.6	37%	0.366	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.6	176.1	-164.5	63.9	0	0	0	110.7	D121 H122 L123 K151 G152	H119-D121 VanDerWaalsContact C-N 3.28Å; H119-D121 IonicContact CD2-OD2 4Å; H119-D121 IonicContact NE2-OD2 2.87Å; H119-D121 PolarHBondContact O-N 3.27Å; H119-H122 WeakPolarHBondContact O-CB 3.28Å; H119-H122 PolarHBondContact O-N 3.35Å; H119-L123 PolarHBondContact O-N 2.87Å; H119-K151 PolarHBondContact CE1-O 2.92Å; H119-G152 CarbonylContact C-O 3.56Å; H119-G152 PolarHBondContact ND1-O 3.38Å
120	E	96.7	Very high	95.5	Very high	62 Å²	62	68.6 Å²	68.6	29%	0.29	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-33.9	-171.5	70.4	-178.5	174.8	0	0	113.5	L123 R124 Y143 I148 G152	E120-L123 PolarHBondContact O-N 2.64Å; E120-R124 WeakPolarHBondContact O-CB 3.24Å; E120-R124 PolarHBondContact O-N 3.18Å; E120-Y143 HydrophobicContact CB-CE2 3.82Å; E120-Y143 PolarHBondContact O-OH 3.26Å; E120-I148 HydrophobicContact CB-CD1 4.43Å; E120-I148 WeakPolarHBondContact OE2-CG2 3.39Å; E120-G152 WeakPolarHBondContact CB-O 3.32Å; E120-G152 PolarHBondContact N-O 3.07Å
121	D	96.9	Very high	95.3	Very high	102 Å²	102	68.2 Å²	68.2	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-67.1	-42.4	175.8	-69.4	-27.1	0	0	0	111.3	H119 R124 E125	H119-D121 VanDerWaalsContact C-N 3.28Å; H119-D121 IonicContact CD2-OD2 4Å; H119-D121 IonicContact NE2-OD2 2.87Å; H119-D121 PolarHBondContact O-N 3.27Å; D121-R124 PolarHBondContact O-N 3.11Å; D121-E125 PolarHBondContact O-N 3.18Å
122	H	96.1	Very high	94.9	Very high	76 Å²	76	75.1 Å²	75.1	35%	0.352	41%	0.408	S	S	.	.	H	α-helix	trans	-66.8	-44.1	176.8	-179.2	-154.7	0	0	0	110.4	I118 H119 R124 E125 L126	I118-H122 HydrophobicContact CG2-CB 4.36Å; H119-H122 WeakPolarHBondContact O-CB 3.28Å; H119-H122 PolarHBondContact O-N 3.35Å; H122-R124 VanDerWaalsContact C-N 3.3Å; H122-R124 PolarHBondContact O-N 3.4Å; H122-E125 WeakPolarHBondContact O-CB 3.49Å; H122-E125 PolarHBondContact O-N 3.47Å; H122-L126 VanDerWaalsContact O-CG 3.29Å; H122-L126 WeakPolarHBondContact O-CG 3.35Å; H122-L126 PolarHBondContact O-N 2.64Å
123	L	96.5	Very high	95	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-60.7	-39.5	176.4	177.8	60	0	0	0	111.9	F107 I118 H119 E120 L126 L127 M142 Y143 F154	F107-L123 HydrophobicContact CD1-CD1 4.42Å; F107-L123 HydrophobicContact CE1-CD1 3.92Å; I118-L123 HydrophobicContact CG2-CB 3.93Å; H119-L123 PolarHBondContact O-N 2.87Å; E120-L123 PolarHBondContact O-N 2.64Å; L123-L126 PolarHBondContact O-N 2.86Å; L123-L127 HydrophobicContact CD1-CD1 3.92Å; L123-L127 HydrophobicContact CD1-CG 3.98Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.34Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.61Å; L123-M142 HydrophobicContact CD2-CE 4.2Å; L123-Y143 WeakPolarHBondContact CB-OH 3.5Å; L123-Y143 HydrophobicContact CD2-CE1 3.92Å; L123-Y143 HydrophobicContact CG-CE1 4.41Å; L123-Y143 WeakPolarHBondContact CG-OH 3.36Å; L123-F154 HydrophobicContact CD2-CB 4.09Å; L123-F154 HydrophobicContact CD2-CD1 3.55Å; L123-F154 HydrophobicContact CD2-CD2 3.79Å; L123-F154 HydrophobicContact CD2-CE1 3.74Å; L123-F154 HydrophobicContact CD2-CE2 3.97Å; L123-F154 HydrophobicContact CD2-CG 3.56Å; L123-F154 HydrophobicContact CD2-CZ 3.93Å
124	R	97.3	Very high	95.1	Very high	52 Å²	52	70 Å²	70	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-45.4	174.9	178.5	178.7	-59.5	-91.7	-2.9	111.6	E120 D121 H122 L126 L127 T128 D136 V139 D140 Y143	E120-R124 WeakPolarHBondContact O-CB 3.24Å; E120-R124 PolarHBondContact O-N 3.18Å; D121-R124 PolarHBondContact O-N 3.11Å; H122-R124 VanDerWaalsContact C-N 3.3Å; H122-R124 PolarHBondContact O-N 3.4Å; R124-L126 VanDerWaalsContact C-N 3.29Å; R124-L126 PolarHBondContact O-N 3.38Å; R124-L127 PolarHBondContact O-N 2.91Å; R124-T128 HydrophobicContact CG-CG2 4.29Å; R124-T128 WeakPolarHBondContact O-CB 3.37Å; R124-T128 VanDerWaalsContact O-CG2 3.3Å; R124-T128 WeakPolarHBondContact O-CG2 3.48Å; R124-T128 PolarHBondContact O-N 3.37Å; R124-T128 PolarHBondContact O-OG1 3.46Å; R124-D136 PolarHBondContact NH1-O 3.22Å; R124-D136 IonicContact NH1-OD1 3.19Å; R124-V139 HydrophobicContact CB-CG1 4.13Å; R124-V139 HydrophobicContact CG-CG1 4.07Å; R124-D140 IonicContact CZ-OD1 3.68Å; R124-D140 IonicContact NH1-OD1 3.71Å; R124-D140 PolarHBondContact NH1-OD1 2.79Å; R124-D140 IonicContact NH2-OD1 2.67Å; R124-D140 PolarHBondContact NH2-OD1 3.25Å; R124-Y143 PolarHBondContact N-OH 3.17Å
125	E	97.2	Very high	95.2	Very high	121 Å²	121	69.1 Å²	69.1	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-57.2	-45.7	175.2	-176	-179.1	178.1	0	0	110.7	D121 H122 T128 T129	D121-E125 PolarHBondContact O-N 3.18Å; H122-E125 WeakPolarHBondContact O-CB 3.49Å; H122-E125 PolarHBondContact O-N 3.47Å; E125-T128 PolarHBondContact O-N 3.39Å; E125-T128 PolarHBondContact O-OG1 3.31Å; E125-T129 HydrophobicContact CG-CG2 4.25Å; E125-T129 VanDerWaalsContact O-CB 3.26Å; E125-T129 WeakPolarHBondContact O-CB 3.47Å; E125-T129 WeakPolarHBondContact O-CG2 3.42Å; E125-T129 PolarHBondContact O-N 3.37Å; E125-T129 PolarHBondContact O-OG1 2.93Å
126	L	95.3	Very high	95.3	Very high	13 Å²	13	70.6 Å²	70.6	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-50.5	178.4	-65	173.3	0	0	0	112.1	F110 H122 L123 R124 T128 T129 M130	F110-L126 HydrophobicContact CB-CD1 3.73Å; F110-L126 HydrophobicContact CD1-CD1 3.46Å; F110-L126 VanDerWaalsContact CD1-CD1 3.46Å; F110-L126 HydrophobicContact CD1-CD2 3.62Å; F110-L126 HydrophobicContact CD1-CG 4.19Å; F110-L126 HydrophobicContact CD2-CD1 3.9Å; F110-L126 HydrophobicContact CE1-CD1 3.97Å; F110-L126 HydrophobicContact CE1-CD2 3.49Å; F110-L126 VanDerWaalsContact CE1-CD2 3.49Å; F110-L126 HydrophobicContact CE1-CG 4.32Å; F110-L126 HydrophobicContact CE2-CD1 4.35Å; F110-L126 HydrophobicContact CG-CD1 3.41Å; F110-L126 VanDerWaalsContact CG-CD1 3.41Å; F110-L126 HydrophobicContact CG-CD2 4.43Å; F110-L126 HydrophobicContact CZ-CD1 4.38Å; F110-L126 HydrophobicContact CZ-CD2 4.22Å; H122-L126 VanDerWaalsContact O-CG 3.29Å; H122-L126 WeakPolarHBondContact O-CG 3.35Å; H122-L126 PolarHBondContact O-N 2.64Å; L123-L126 PolarHBondContact O-N 2.86Å; R124-L126 VanDerWaalsContact C-N 3.29Å; R124-L126 PolarHBondContact O-N 3.38Å; L126-T128 VanDerWaalsContact C-N 3.29Å; L126-T128 PolarHBondContact O-N 3.17Å; L126-T129 PolarHBondContact O-N 3.35Å; L126-M130 HydrophobicContact CD2-CE 3.35Å; L126-M130 HydrophobicContact CD2-SD 3.75Å; L126-M130 WeakPolarHBondContact O-CB 3.37Å; L126-M130 PolarHBondContact O-N 3.36Å
127	L	95.5	Very high	95.3	Very high	36 Å²	36	76.5 Å²	76.5	19%	0.188	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-29.6	-176.8	-70.1	171.1	0	0	0	113.4	L123 R124 R133 F134 V139 M142	L123-L127 HydrophobicContact CD1-CD1 3.92Å; L123-L127 HydrophobicContact CD1-CG 3.98Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.34Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.61Å; R124-L127 PolarHBondContact O-N 2.91Å; L127-R133 WeakPolarHBondContact O-CA 3.48Å; L127-F134 HydrophobicContact CB-CB 4.37Å; L127-F134 HydrophobicContact CB-CG 4.5Å; L127-F134 PolarHBondContact O-N 3.3Å; L127-V139 HydrophobicContact CB-CG2 4.04Å; L127-V139 HydrophobicContact CD1-CG1 4.42Å; L127-V139 HydrophobicContact CD1-CG2 4.28Å; L127-M142 HydrophobicContact CD1-CE 3.45Å; L127-M142 VanDerWaalsContact CD1-CE 3.45Å; L127-M142 HydrophobicContact CD1-SD 4.14Å
128	T	96.7	Very high	95.1	Very high	37 Å²	37	77.5 Å²	77.5	23%	0.227	40%	0.396	C	S	.	.	H	α-helix	trans	-91.2	-17.4	-179.2	56.9	0	0	0	0	113.1	R124 E125 L126 R133 V139	R124-T128 HydrophobicContact CG-CG2 4.29Å; R124-T128 WeakPolarHBondContact O-CB 3.37Å; R124-T128 VanDerWaalsContact O-CG2 3.3Å; R124-T128 WeakPolarHBondContact O-CG2 3.48Å; R124-T128 PolarHBondContact O-N 3.37Å; R124-T128 PolarHBondContact O-OG1 3.46Å; E125-T128 PolarHBondContact O-N 3.39Å; E125-T128 PolarHBondContact O-OG1 3.31Å; L126-T128 VanDerWaalsContact C-N 3.29Å; L126-T128 PolarHBondContact O-N 3.17Å; T128-R133 VanDerWaalsContact O-CD 3.29Å; T128-R133 WeakPolarHBondContact O-CD 3.39Å; T128-R133 WeakPolarHBondContact O-CG 3.49Å; T128-V139 HydrophobicContact CG2-CG2 4.02Å
129	T	94.9	Very high	95.1	Very high	64 Å²	64	77.2 Å²	77.2	39%	0.393	39%	0.394	S	S	.	.	H	α-helix	trans	-109	-30	-175.5	63.5	0	0	0	0	114.2	E125 L126 R133	E125-T129 HydrophobicContact CG-CG2 4.25Å; E125-T129 VanDerWaalsContact O-CB 3.26Å; E125-T129 WeakPolarHBondContact O-CB 3.47Å; E125-T129 WeakPolarHBondContact O-CG2 3.42Å; E125-T129 PolarHBondContact O-N 3.37Å; E125-T129 PolarHBondContact O-OG1 2.93Å; L126-T129 PolarHBondContact O-N 3.35Å; T129-R133 PolarHBondContact O-NE 3.03Å; T129-R133 PolarHBondContact O-NH2 2.91Å
130	M	89.7	Confident	95	Very high	101 Å²	101	77.1 Å²	77.1	50%	0.498	40%	0.397	S	S	.	.	S	Bend	trans	-107.6	147.1	-172.7	-56.6	-168.7	-174.4	0	0	112.8	F110 L126	F110-M130 HydrophobicContact CE1-CE 4.35Å; F110-M130 HydrophobicContact CE1-SD 3.95Å; F110-M130 HydrophobicContact CZ-SD 4.06Å; L126-M130 HydrophobicContact CD2-CE 3.35Å; L126-M130 HydrophobicContact CD2-SD 3.75Å; L126-M130 WeakPolarHBondContact O-CB 3.37Å; L126-M130 PolarHBondContact O-N 3.36Å
131	G	89.1	Confident	95	Very high	72 Å²	72	79.1 Å²	79.1	74%	0.742	41%	0.406	S	S	*	.	S	Bend	trans	61.1	-139	172.7	0	0	0	0	0	114.2	R133	G131-R133 PolarHBondContact O-N 2.95Å
132	D	88.3	Confident	94.8	Very high	157 Å²	157	76.2 Å²	76.2	84%	0.84	39%	0.39	S	S	*	.	S	Bend	trans	-74.8	100.6	169.3	-67.5	-30.7	0	0	0	108.2
133	R	93.5	Very high	94.7	Very high	178 Å²	178	73.9 Å²	73.9	67%	0.672	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-74.8	129.5	-168.9	-64.4	173.4	180	165.9	-0.2	111.4	L127 T128 T129 G131	L127-R133 WeakPolarHBondContact O-CA 3.48Å; T128-R133 VanDerWaalsContact O-CD 3.29Å; T128-R133 WeakPolarHBondContact O-CD 3.39Å; T128-R133 WeakPolarHBondContact O-CG 3.49Å; T129-R133 PolarHBondContact O-NE 3.03Å; T129-R133 PolarHBondContact O-NH2 2.91Å; G131-R133 PolarHBondContact O-N 2.95Å
134	F	94.5	Very high	94.6	Very high	81 Å²	81	81.4 Å²	81.4	36%	0.355	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-77.3	148.7	171.2	-77.2	-130.1	0	0	0	109.4	L127 E138 V139	L127-F134 HydrophobicContact CB-CB 4.37Å; L127-F134 HydrophobicContact CB-CG 4.5Å; L127-F134 PolarHBondContact O-N 3.3Å; F134-E138 VanDerWaalsContact CA-OE2 3.24Å; F134-E138 WeakPolarHBondContact CA-OE2 3.46Å; F134-E138 HydrophobicContact CB-CB 4.1Å; F134-E138 HydrophobicContact CD1-CB 3.67Å; F134-E138 HydrophobicContact CG-CB 4.23Å; F134-V139 HydrophobicContact CB-CG2 3.73Å; F134-V139 HydrophobicContact CD1-CG2 4.45Å; F134-V139 HydrophobicContact CG-CG2 4.47Å
135	T	97	Very high	94.1	Very high	65 Å²	65	86.6 Å²	86.6	40%	0.399	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-75.9	161.4	161.6	82.2	0	0	0	0	110.2	E137 E138 V139	T135-E137 VanDerWaalsContact CB-OE2 3.23Å; T135-E137 WeakPolarHBondContact CB-OE2 3.47Å; T135-E137 PolarHBondContact O-N 3.04Å; T135-E137 PolarHBondContact OG1-N 3.44Å; T135-E137 PolarHBondContact OG1-OE2 3.49Å; T135-E138 PolarHBondContact N-OE2 2.81Å; T135-E138 PolarHBondContact O-N 2.96Å; T135-E138 VanDerWaalsContact O-N 3.08Å; T135-E138 PolarHBondContact OG1-N 3.05Å; T135-V139 PolarHBondContact O-N 2.8Å
136	D	96.6	Very high	93.9	Very high	89 Å²	89	81.6 Å²	81.6	48%	0.476	41%	0.411	S	S	.	.	H	α-helix	trans	-57.3	-36.1	175.5	-75.4	-61.1	0	0	0	111.8	R124 V139 D140	R124-D136 PolarHBondContact NH1-O 3.22Å; R124-D136 IonicContact NH1-OD1 3.19Å; D136-V139 PolarHBondContact O-N 2.8Å; D136-D140 WeakPolarHBondContact O-CB 3.26Å; D136-D140 PolarHBondContact O-N 3.23Å
137	E	96.8	Very high	94	Very high	134 Å²	134	82 Å²	82	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-66.4	-36.6	176.3	-58.3	79.4	-171.4	0	0	112.7	T135 D140 E141	T135-E137 VanDerWaalsContact CB-OE2 3.23Å; T135-E137 WeakPolarHBondContact CB-OE2 3.47Å; T135-E137 PolarHBondContact O-N 3.04Å; T135-E137 PolarHBondContact OG1-N 3.44Å; T135-E137 PolarHBondContact OG1-OE2 3.49Å; E137-D140 PolarHBondContact O-N 3.07Å; E137-E141 WeakPolarHBondContact O-CB 3.26Å; E137-E141 PolarHBondContact O-N 3.22Å
138	E	94.9	Very high	94	Very high	99 Å²	99	82.4 Å²	82.4	46%	0.463	42%	0.417	S	S	.	.	H	α-helix	trans	-69.2	-37.9	176.3	-68.6	175.1	140.7	0	0	111.4	F134 T135 E141 M142	F134-E138 VanDerWaalsContact CA-OE2 3.24Å; F134-E138 WeakPolarHBondContact CA-OE2 3.46Å; F134-E138 HydrophobicContact CB-CB 4.1Å; F134-E138 HydrophobicContact CD1-CB 3.67Å; F134-E138 HydrophobicContact CG-CB 4.23Å; T135-E138 PolarHBondContact N-OE2 2.81Å; T135-E138 PolarHBondContact O-N 2.96Å; T135-E138 VanDerWaalsContact O-N 3.08Å; T135-E138 PolarHBondContact OG1-N 3.05Å; E138-E141 PolarHBondContact O-N 2.87Å; E138-M142 PolarHBondContact O-N 3.22Å
139	V	96.5	Very high	93.9	Very high	0 Å²	0	83.9 Å²	83.9	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-66.1	-43.1	173.2	-179	0	0	0	0	110.7	R124 L127 T128 F134 T135 D136 E141 M142 Y143	R124-V139 HydrophobicContact CB-CG1 4.13Å; R124-V139 HydrophobicContact CG-CG1 4.07Å; L127-V139 HydrophobicContact CB-CG2 4.04Å; L127-V139 HydrophobicContact CD1-CG1 4.42Å; L127-V139 HydrophobicContact CD1-CG2 4.28Å; T128-V139 HydrophobicContact CG2-CG2 4.02Å; F134-V139 HydrophobicContact CB-CG2 3.73Å; F134-V139 HydrophobicContact CD1-CG2 4.45Å; F134-V139 HydrophobicContact CG-CG2 4.47Å; T135-V139 PolarHBondContact O-N 2.8Å; D136-V139 PolarHBondContact O-N 2.8Å; V139-E141 VanDerWaalsContact C-N 3.33Å; V139-E141 PolarHBondContact O-N 2.98Å; V139-M142 WeakPolarHBondContact O-CB 3.28Å; V139-M142 PolarHBondContact O-N 2.97Å; V139-Y143 HydrophobicContact CG1-CD1 4.25Å; V139-Y143 HydrophobicContact CG1-CD2 4.19Å; V139-Y143 HydrophobicContact CG1-CE1 3.87Å; V139-Y143 HydrophobicContact CG1-CE2 3.78Å; V139-Y143 HydrophobicContact CG1-CG 4.41Å; V139-Y143 PolarHBondContact O-N 3.15Å
140	D	96	Very high	93.9	Very high	77 Å²	77	91.3 Å²	91.3	41%	0.412	45%	0.45	S	S	.	.	H	α-helix	trans	-60.8	-42.1	177.1	-73.6	-8.5	0	0	0	111.9	R124 D136 E137 Y143 R144	R124-D140 IonicContact CZ-OD1 3.68Å; R124-D140 IonicContact NH1-OD1 3.71Å; R124-D140 PolarHBondContact NH1-OD1 2.79Å; R124-D140 IonicContact NH2-OD1 2.67Å; R124-D140 PolarHBondContact NH2-OD1 3.25Å; D136-D140 WeakPolarHBondContact O-CB 3.26Å; D136-D140 PolarHBondContact O-N 3.23Å; E137-D140 PolarHBondContact O-N 3.07Å; D140-Y143 PolarHBondContact O-N 3.41Å; D140-R144 WeakPolarHBondContact O-CG 3.49Å; D140-R144 PolarHBondContact O-N 2.91Å
141	E	95.3	Very high	94.2	Very high	103 Å²	103	94.4 Å²	94.4	48%	0.481	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-44.4	175.4	-167.7	64.8	-129.7	0	0	111.2	E137 E138 V139 Y143 R144	E137-E141 WeakPolarHBondContact O-CB 3.26Å; E137-E141 PolarHBondContact O-N 3.22Å; E138-E141 PolarHBondContact O-N 2.87Å; V139-E141 VanDerWaalsContact C-N 3.33Å; V139-E141 PolarHBondContact O-N 2.98Å; E141-Y143 VanDerWaalsContact C-N 3.29Å; E141-Y143 PolarHBondContact O-N 3.24Å; E141-R144 PolarHBondContact O-N 3.07Å; E141-R144 IonicContact OE1-CZ 3.64Å; E141-R144 IonicContact OE1-NH1 2.93Å; E141-R144 PolarHBondContact OE1-NH1 2.81Å; E141-R144 IonicContact OE2-CZ 3.03Å; E141-R144 IonicContact OE2-NE 3.89Å; E141-R144 IonicContact OE2-NH1 2.64Å; E141-R144 PolarHBondContact OE2-NH1 3Å; E141-R144 IonicContact OE2-NH2 3.17Å; E141-R144 PolarHBondContact OE2-NH2 2.93Å; E141-R144 VanDerWaalsContact OE2-NH2 3.17Å
142	M	92.8	Very high	94.5	Very high	42 Å²	42	91.2 Å²	91.2	21%	0.207	43%	0.428	C	S	.	.	H	α-helix	trans	-59.8	-40.3	176.8	-170.5	-171.3	72.8	0	0	111.8	L123 L127 E138 V139 R144 A146 F154 F159	L123-M142 HydrophobicContact CD2-CE 4.2Å; L127-M142 HydrophobicContact CD1-CE 3.45Å; L127-M142 VanDerWaalsContact CD1-CE 3.45Å; L127-M142 HydrophobicContact CD1-SD 4.14Å; E138-M142 PolarHBondContact O-N 3.22Å; V139-M142 WeakPolarHBondContact O-CB 3.28Å; V139-M142 PolarHBondContact O-N 2.97Å; M142-R144 VanDerWaalsContact C-N 3.29Å; M142-R144 PolarHBondContact O-N 2.99Å; M142-A146 WeakPolarHBondContact O-CB 3.24Å; M142-F154 HydrophobicContact CE-CE2 4.4Å; M142-F159 HydrophobicContact CG-CE2 4.2Å; M142-F159 HydrophobicContact CG-CZ 4.1Å; M142-F159 HydrophobicContact SD-CZ 4.07Å
143	Y	95	Very high	95	Very high	27 Å²	27	86 Å²	86	11%	0.106	40%	0.4	C	S	.	.	H	α-helix	trans	-70.2	-20	-177.2	-75	1.1	0	0	0	114.2	E120 L123 R124 V139 D140 E141 E145 A146 I148	E120-Y143 HydrophobicContact CB-CE2 3.82Å; E120-Y143 PolarHBondContact O-OH 3.26Å; L123-Y143 WeakPolarHBondContact CB-OH 3.5Å; L123-Y143 HydrophobicContact CD2-CE1 3.92Å; L123-Y143 HydrophobicContact CG-CE1 4.41Å; L123-Y143 WeakPolarHBondContact CG-OH 3.36Å; R124-Y143 PolarHBondContact N-OH 3.17Å; V139-Y143 HydrophobicContact CG1-CD1 4.25Å; V139-Y143 HydrophobicContact CG1-CD2 4.19Å; V139-Y143 HydrophobicContact CG1-CE1 3.87Å; V139-Y143 HydrophobicContact CG1-CE2 3.78Å; V139-Y143 HydrophobicContact CG1-CG 4.41Å; V139-Y143 PolarHBondContact O-N 3.15Å; D140-Y143 PolarHBondContact O-N 3.41Å; E141-Y143 VanDerWaalsContact C-N 3.29Å; E141-Y143 PolarHBondContact O-N 3.24Å; Y143-E145 VanDerWaalsContact C-N 3.32Å; Y143-E145 PolarHBondContact O-N 3.32Å; Y143-A146 PolarHBondContact O-N 2.87Å; Y143-I148 HydrophobicContact CD1-CD1 3.78Å; Y143-I148 HydrophobicContact CD2-CD1 3.98Å; Y143-I148 HydrophobicContact CE1-CD1 4.26Å; Y143-I148 HydrophobicContact CE2-CD1 4.47Å; Y143-I148 HydrophobicContact CG-CD1 3.63Å
144	R	92.8	Very high	95.2	Very high	161 Å²	161	77.5 Å²	77.5	61%	0.608	37%	0.368	S	S	*	.	H	α-helix	trans	-60.4	-39.9	-178.3	-71.1	-177.4	-169.9	155.2	14.1	113.6	D140 E141 M142	D140-R144 WeakPolarHBondContact O-CG 3.49Å; D140-R144 PolarHBondContact O-N 2.91Å; E141-R144 PolarHBondContact O-N 3.07Å; E141-R144 IonicContact OE1-CZ 3.64Å; E141-R144 IonicContact OE1-NH1 2.93Å; E141-R144 PolarHBondContact OE1-NH1 2.81Å; E141-R144 IonicContact OE2-CZ 3.03Å; E141-R144 IonicContact OE2-NE 3.89Å; E141-R144 IonicContact OE2-NH1 2.64Å; E141-R144 PolarHBondContact OE2-NH1 3Å; E141-R144 IonicContact OE2-NH2 3.17Å; E141-R144 PolarHBondContact OE2-NH2 2.93Å; E141-R144 VanDerWaalsContact OE2-NH2 3.17Å; M142-R144 VanDerWaalsContact C-N 3.29Å; M142-R144 PolarHBondContact O-N 2.99Å
145	E	88.7	Confident	95.3	Very high	162 Å²	162	75.1 Å²	75.1	76%	0.757	36%	0.359	S	S	*	.	S	Bend	trans	-108.3	4.6	-177.7	-58.2	-58.5	146.2	0	0	112.2	Y143	Y143-E145 VanDerWaalsContact C-N 3.32Å; Y143-E145 PolarHBondContact O-N 3.32Å
146	A	93	Very high	95.3	Very high	15 Å²	15	72.5 Å²	72.5	12%	0.124	34%	0.342	C	S	.	.	S	Bend	trans	-77.2	145.8	-179.4	0	0	0	0	0	111.9	M142 Y143 I148 F154 F159	M142-A146 WeakPolarHBondContact O-CB 3.24Å; Y143-A146 PolarHBondContact O-N 2.87Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CD1 4.04Å; A146-I148 HydrophobicContact CB-CG1 3.94Å; A146-I148 PolarHBondContact O-N 3.09Å; A146-F154 HydrophobicContact CB-CD2 3.91Å; A146-F154 HydrophobicContact CB-CE2 3.63Å; A146-F159 HydrophobicContact CB-CD2 4.29Å
147	P	95.4	Very high	95.2	Very high	23 Å²	23	71.1 Å²	71.1	15%	0.149	34%	0.337	C	S	.	.			trans	-75.7	79.9	173.8	32.7	-34.7	0	0	0	110.5	N155 E158 F159 I162	P147-N155 HydrophobicContact CB-CB 4.15Å; P147-N155 HydrophobicContact CG-CB 4.08Å; P147-N155 WeakPolarHBondContact CG-O 3.28Å; P147-N155 WeakPolarHBondContact O-CB 3.48Å; P147-N155 PolarHBondContact O-N 2.8Å; P147-E158 HydrophobicContact CB-CB 4.19Å; P147-E158 HydrophobicContact CB-CG 3.94Å; P147-E158 HydrophobicContact CG-CB 3.94Å; P147-E158 HydrophobicContact CG-CG 3.99Å; P147-F159 HydrophobicContact CG-CB 3.89Å; P147-I162 HydrophobicContact CG-CD1 4.25Å
148	I	96.3	Very high	95.1	Very high	44 Å²	44	69.3 Å²	69.3	23%	0.226	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-106.9	127	175.7	-56.1	174.9	0	0	0	109.3	E120 Y143 A146 N153 F154	E120-I148 HydrophobicContact CB-CD1 4.43Å; E120-I148 WeakPolarHBondContact OE2-CG2 3.39Å; Y143-I148 HydrophobicContact CD1-CD1 3.78Å; Y143-I148 HydrophobicContact CD2-CD1 3.98Å; Y143-I148 HydrophobicContact CE1-CD1 4.26Å; Y143-I148 HydrophobicContact CE2-CD1 4.47Å; Y143-I148 HydrophobicContact CG-CD1 3.63Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CD1 4.04Å; A146-I148 HydrophobicContact CB-CG1 3.94Å; A146-I148 PolarHBondContact O-N 3.09Å; I148-N153 WeakPolarHBondContact CA-O 3.26Å; I148-F154 HydrophobicContact CD1-CD2 4.19Å; I148-F154 HydrophobicContact CG1-CB 4.17Å; I148-F154 HydrophobicContact CG1-CD2 3.81Å; I148-F154 HydrophobicContact CG1-CG 4.47Å
149	D	95.7	Very high	95.1	Very high	68 Å²	68	66 Å²	66	36%	0.364	31%	0.312	S	S	.	.			trans	-77.2	172.4	177.8	80.6	5.2	0	0	0	112.6	K151 G152 N153	D149-K151 PolarHBondContact O-N 2.67Å; D149-K151 VanDerWaalsContact OD1-C 3.29Å; D149-K151 VanDerWaalsContact OD1-CA 3.26Å; D149-K151 WeakPolarHBondContact OD1-CA 3.3Å; D149-K151 WeakPolarHBondContact OD1-CB 3.48Å; D149-K151 PolarHBondContact OD1-N 2.87Å; D149-G152 PolarHBondContact O-N 3.19Å; D149-G152 PolarHBondContact OD1-N 3.44Å; D149-G152 VanDerWaalsContact OD1-N 3.09Å; D149-N153 PolarHBondContact N-O 3.31Å; D149-N153 WeakPolarHBondContact OD1-CB 3.47Å; D149-N153 PolarHBondContact OD1-N 3.33Å; D149-N153 PolarHBondContact OD1-ND2 3.08Å; D149-N153 PolarHBondContact OD2-ND2 2.74Å
150	K	94.3	Very high	94.8	Very high	219 Å²	219	66 Å²	66	95%	0.952	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.1	179.1	-64.3	-175.9	179.6	-179.4	0	114.5
151	K	95.8	Very high	94.5	Very high	167 Å²	167	67.9 Å²	67.9	73%	0.726	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	6.5	177.8	-59.7	178.3	178.8	178.2	0	111.4	H119 D149	H119-K151 PolarHBondContact CE1-O 2.92Å; D149-K151 PolarHBondContact O-N 2.67Å; D149-K151 VanDerWaalsContact OD1-C 3.29Å; D149-K151 VanDerWaalsContact OD1-CA 3.26Å; D149-K151 WeakPolarHBondContact OD1-CA 3.3Å; D149-K151 WeakPolarHBondContact OD1-CB 3.48Å; D149-K151 PolarHBondContact OD1-N 2.87Å
152	G	96.3	Very high	94.2	Very high	5 Å²	5	65.3 Å²	65.3	5%	0.052	30%	0.303	C	S	.	.	S	Bend	trans	77.8	19.3	-179.2	0	0	0	0	0	113.5	H119 E120 D149	H119-G152 CarbonylContact C-O 3.56Å; H119-G152 PolarHBondContact ND1-O 3.38Å; E120-G152 WeakPolarHBondContact CB-O 3.32Å; E120-G152 PolarHBondContact N-O 3.07Å; D149-G152 PolarHBondContact O-N 3.19Å; D149-G152 PolarHBondContact OD1-N 3.44Å; D149-G152 VanDerWaalsContact OD1-N 3.09Å
153	N	97.5	Very high	93.9	Very high	46 Å²	46	67 Å²	67	25%	0.246	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.8	176.6	-55.8	-51.2	0	0	0	110.1	F117 I148 D149	F117-N153 HydrophobicContact CB-CB 4.26Å; F117-N153 HydrophobicContact CD1-CB 3.91Å; F117-N153 HydrophobicContact CG-CB 4.35Å; I148-N153 WeakPolarHBondContact CA-O 3.26Å; D149-N153 PolarHBondContact N-O 3.31Å; D149-N153 WeakPolarHBondContact OD1-CB 3.47Å; D149-N153 PolarHBondContact OD1-N 3.33Å; D149-N153 PolarHBondContact OD1-ND2 3.08Å; D149-N153 PolarHBondContact OD2-ND2 2.74Å
154	F	97.6	Very high	93.2	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.1	174.7	176	-91.9	0	0	0	110.5	F107 F117 I118 L123 M142 A146 I148 Y156 F159	F107-F154 HydrophobicContact CD1-CE1 4.39Å; F107-F154 AromaticContact CE1-CE1 3.85Å; F107-F154 HydrophobicContact CE1-CE1 3.85Å; F107-F154 HydrophobicContact CE1-CZ 4.42Å; F107-F154 AromaticContact CZ-CE1 3.99Å; F107-F154 HydrophobicContact CZ-CE1 3.99Å; F107-F154 HydrophobicContact CZ-CZ 4.26Å; F117-F154 VanDerWaalsContact CA-O 3.26Å; F117-F154 WeakPolarHBondContact CA-O 3.23Å; I118-F154 PolarHBondContact N-O 3.25Å; I118-F154 WeakPolarHBondContact O-CA 3.46Å; I118-F154 VanDerWaalsContact O-CB 3.28Å; I118-F154 WeakPolarHBondContact O-CB 3.49Å; I118-F154 PolarHBondContact O-N 3.37Å; L123-F154 HydrophobicContact CD2-CB 4.09Å; L123-F154 HydrophobicContact CD2-CD1 3.55Å; L123-F154 HydrophobicContact CD2-CD2 3.79Å; L123-F154 HydrophobicContact CD2-CE1 3.74Å; L123-F154 HydrophobicContact CD2-CE2 3.97Å; L123-F154 HydrophobicContact CD2-CG 3.56Å; L123-F154 HydrophobicContact CD2-CZ 3.93Å; M142-F154 HydrophobicContact CE-CE2 4.4Å; A146-F154 HydrophobicContact CB-CD2 3.91Å; A146-F154 HydrophobicContact CB-CE2 3.63Å; I148-F154 HydrophobicContact CD1-CD2 4.19Å; I148-F154 HydrophobicContact CG1-CB 4.17Å; I148-F154 HydrophobicContact CG1-CD2 3.81Å; I148-F154 HydrophobicContact CG1-CG 4.47Å; F154-Y156 PolarHBondContact O-N 3.03Å; F154-F159 HydrophobicContact CE1-CB 4Å; F154-F159 HydrophobicContact CE1-CD1 4.24Å; F154-F159 HydrophobicContact CE1-CG 4.11Å; F154-F159 HydrophobicContact CE2-CB 4.16Å; F154-F159 HydrophobicContact CE2-CD1 4.48Å; F154-F159 AromaticContact CE2-CD2 3.75Å; F154-F159 HydrophobicContact CE2-CD2 3.75Å; F154-F159 HydrophobicContact CE2-CE2 4.22Å; F154-F159 AromaticContact CE2-CG 3.88Å; F154-F159 HydrophobicContact CE2-CG 3.88Å; F154-F159 HydrophobicContact CZ-CB 3.55Å; F154-F159 AromaticContact CZ-CD1 3.54Å; F154-F159 HydrophobicContact CZ-CD1 3.54Å; F154-F159 AromaticContact CZ-CD2 3.61Å; F154-F159 HydrophobicContact CZ-CD2 3.61Å; F154-F159 HydrophobicContact CZ-CE1 4.07Å; F154-F159 HydrophobicContact CZ-CE2 4.13Å; F154-F159 AromaticContact CZ-CG 3.27Å; F154-F159 HydrophobicContact CZ-CG 3.27Å; F154-F159 HydrophobicContact CZ-CZ 4.34Å
155	N	97.3	Very high	92.7	Very high	31 Å²	31	66.9 Å²	66.9	17%	0.166	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	89.5	176.7	-174.9	-12.7	0	0	0	110.3	F117 P147 V157 E158 F159	F117-N155 HydrophobicContact CD1-CB 3.94Å; F117-N155 HydrophobicContact CE1-CB 3.62Å; F117-N155 HydrophobicContact CZ-CB 4.48Å; P147-N155 HydrophobicContact CB-CB 4.15Å; P147-N155 HydrophobicContact CG-CB 4.08Å; P147-N155 WeakPolarHBondContact CG-O 3.28Å; P147-N155 WeakPolarHBondContact O-CB 3.48Å; P147-N155 PolarHBondContact O-N 2.8Å; N155-V157 PolarHBondContact O-N 3.2Å; N155-V157 PolarHBondContact OD1-N 2.64Å; N155-E158 HydrophobicContact CB-CB 4.1Å; N155-E158 VanDerWaalsContact CG-CB 3.44Å; N155-E158 VanDerWaalsContact ND2-CB 3.28Å; N155-E158 WeakPolarHBondContact ND2-CB 3.3Å; N155-E158 PolarHBondContact ND2-OE2 3.03Å; N155-E158 PolarHBondContact O-N 3.38Å; N155-E158 PolarHBondContact OD1-N 3.37Å; N155-F159 WeakPolarHBondContact O-CB 3.29Å; N155-F159 PolarHBondContact O-N 3.38Å
156	Y	96.2	Very high	92.3	Very high	11 Å²	11	61.2 Å²	61.2	4%	0.043	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-22.8	-177.1	65.5	-100.5	0	0	0	113.1	R104 F107 D111 G116 F117 I118 F154 T160	R104-Y156 HydrophobicContact CG-CD2 4.23Å; R104-Y156 HydrophobicContact CG-CE2 3.94Å; F107-Y156 HydrophobicContact CB-CD1 4.01Å; F107-Y156 HydrophobicContact CB-CD2 3.44Å; F107-Y156 VanDerWaalsContact CB-CD2 3.44Å; F107-Y156 HydrophobicContact CB-CE2 4.02Å; F107-Y156 HydrophobicContact CB-CG 3.45Å; F107-Y156 VanDerWaalsContact CB-CG 3.45Å; F107-Y156 HydrophobicContact CD2-CD2 4.38Å; F107-Y156 HydrophobicContact CD2-CG 4.36Å; F107-Y156 HydrophobicContact CG-CD2 4.15Å; F107-Y156 AromaticContact CG-CG 3.91Å; F107-Y156 HydrophobicContact CG-CG 3.91Å; D111-Y156 HydrophobicContact CB-CE1 3.78Å; D111-Y156 VanDerWaalsContact OD2-CE1 3.28Å; D111-Y156 WeakPolarHBondContact OD2-CE1 3.4Å; D111-Y156 PolarHBondContact OD2-OH 2.9Å; G116-Y156 VanDerWaalsContact C-CD1 3.46Å; G116-Y156 WeakPolarHBondContact CA-OH 3.38Å; G116-Y156 VanDerWaalsContact O-CD1 3.24Å; G116-Y156 WeakPolarHBondContact O-CD1 3.29Å; G116-Y156 WeakPolarHBondContact O-CE1 3.26Å; G116-Y156 PolarHBondContact O-N 3.28Å; F117-Y156 VanDerWaalsContact N-CE1 3.28Å; I118-Y156 HydrophobicContact CD1-CD1 4.05Å; I118-Y156 HydrophobicContact CG1-CD1 3.93Å; I118-Y156 HydrophobicContact CG1-CE1 4.2Å; F154-Y156 PolarHBondContact O-N 3.03Å; Y156-T160 VanDerWaalsContact O-CB 3.32Å; Y156-T160 WeakPolarHBondContact O-CB 3.48Å; Y156-T160 PolarHBondContact O-N 3.42Å; Y156-T160 PolarHBondContact O-OG1 3.23Å
157	V	95.4	Very high	91.5	Very high	60 Å²	60	64 Å²	64	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-68.5	-48.2	175.9	-179.1	0	0	0	0	110.2	N155 R161	N155-V157 PolarHBondContact O-N 3.2Å; N155-V157 PolarHBondContact OD1-N 2.64Å; V157-R161 PolarHBondContact O-N 2.91Å
158	E	94.6	Very high	90	Very high	95 Å²	95	69.8 Å²	69.8	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-39.8	175.6	-177.3	171.3	-163.1	0	0	111.9	P147 N155 T160 R161 I162	P147-E158 HydrophobicContact CB-CB 4.19Å; P147-E158 HydrophobicContact CB-CG 3.94Å; P147-E158 HydrophobicContact CG-CB 3.94Å; P147-E158 HydrophobicContact CG-CG 3.99Å; N155-E158 HydrophobicContact CB-CB 4.1Å; N155-E158 VanDerWaalsContact CG-CB 3.44Å; N155-E158 VanDerWaalsContact ND2-CB 3.28Å; N155-E158 WeakPolarHBondContact ND2-CB 3.3Å; N155-E158 PolarHBondContact ND2-OE2 3.03Å; N155-E158 PolarHBondContact O-N 3.38Å; N155-E158 PolarHBondContact OD1-N 3.37Å; E158-T160 VanDerWaalsContact C-N 3.33Å; E158-T160 PolarHBondContact O-N 3.49Å; E158-R161 WeakPolarHBondContact O-CB 3.42Å; E158-R161 PolarHBondContact O-N 2.75Å; E158-I162 HydrophobicContact CG-CD1 3.95Å; E158-I162 HydrophobicContact CG-CG1 4.45Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.35Å
159	F	94.3	Very high	88.2	Confident	30 Å²	30	74.6 Å²	74.6	13%	0.132	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-45.5	175.8	179.3	-99.3	0	0	0	111.4	F107 M142 A146 P147 F154 N155 R161 I162 L163	F107-F159 HydrophobicContact CE2-CD1 4.07Å; F107-F159 HydrophobicContact CE2-CE1 4.38Å; F107-F159 HydrophobicContact CZ-CD1 4.08Å; F107-F159 HydrophobicContact CZ-CE1 4.15Å; M142-F159 HydrophobicContact CG-CE2 4.2Å; M142-F159 HydrophobicContact CG-CZ 4.1Å; M142-F159 HydrophobicContact SD-CZ 4.07Å; A146-F159 HydrophobicContact CB-CD2 4.29Å; P147-F159 HydrophobicContact CG-CB 3.89Å; F154-F159 HydrophobicContact CE1-CB 4Å; F154-F159 HydrophobicContact CE1-CD1 4.24Å; F154-F159 HydrophobicContact CE1-CG 4.11Å; F154-F159 HydrophobicContact CE2-CB 4.16Å; F154-F159 HydrophobicContact CE2-CD1 4.48Å; F154-F159 AromaticContact CE2-CD2 3.75Å; F154-F159 HydrophobicContact CE2-CD2 3.75Å; F154-F159 HydrophobicContact CE2-CE2 4.22Å; F154-F159 AromaticContact CE2-CG 3.88Å; F154-F159 HydrophobicContact CE2-CG 3.88Å; F154-F159 HydrophobicContact CZ-CB 3.55Å; F154-F159 AromaticContact CZ-CD1 3.54Å; F154-F159 HydrophobicContact CZ-CD1 3.54Å; F154-F159 AromaticContact CZ-CD2 3.61Å; F154-F159 HydrophobicContact CZ-CD2 3.61Å; F154-F159 HydrophobicContact CZ-CE1 4.07Å; F154-F159 HydrophobicContact CZ-CE2 4.13Å; F154-F159 AromaticContact CZ-CG 3.27Å; F154-F159 HydrophobicContact CZ-CG 3.27Å; F154-F159 HydrophobicContact CZ-CZ 4.34Å; N155-F159 WeakPolarHBondContact O-CB 3.29Å; N155-F159 PolarHBondContact O-N 3.38Å; F159-R161 VanDerWaalsContact C-N 3.27Å; F159-R161 PolarHBondContact O-N 3.27Å; F159-I162 PolarHBondContact O-N 3.05Å; F159-I162 VanDerWaalsContact O-N 3.17Å; F159-L163 HydrophobicContact CE1-CD2 4.17Å; F159-L163 VanDerWaalsContact O-CB 3.29Å; F159-L163 WeakPolarHBondContact O-CB 3.5Å; F159-L163 PolarHBondContact O-N 3.48Å
160	T	91.3	Very high	86.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-60.6	-40.3	177.9	-55.4	0	0	0	0	111.2	E100 I103 Y156 E158 L163 K164	E100-T160 HydrophobicContact CB-CG2 4.27Å; E100-T160 HydrophobicContact CG-CG2 3.73Å; I103-T160 HydrophobicContact CB-CG2 3.66Å; I103-T160 HydrophobicContact CD1-CG2 4.16Å; I103-T160 HydrophobicContact CG2-CG2 3.68Å; Y156-T160 VanDerWaalsContact O-CB 3.32Å; Y156-T160 WeakPolarHBondContact O-CB 3.48Å; Y156-T160 PolarHBondContact O-N 3.42Å; Y156-T160 PolarHBondContact O-OG1 3.23Å; E158-T160 VanDerWaalsContact C-N 3.33Å; E158-T160 PolarHBondContact O-N 3.49Å; T160-L163 PolarHBondContact O-N 2.9Å; T160-K164 WeakPolarHBondContact O-CB 3.37Å; T160-K164 PolarHBondContact O-N 2.96Å
161	R	88.7	Confident	83.8	Confident	116 Å²	116	78 Å²	78	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-62.9	-46.5	174.8	-174.2	-158.9	-178.8	157.2	19.3	111.8	V157 E158 F159 L163 K164 H165 K168	V157-R161 PolarHBondContact O-N 2.91Å; E158-R161 WeakPolarHBondContact O-CB 3.42Å; E158-R161 PolarHBondContact O-N 2.75Å; F159-R161 VanDerWaalsContact C-N 3.27Å; F159-R161 PolarHBondContact O-N 3.27Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 2.97Å; R161-K164 PolarHBondContact O-N 2.94Å; R161-H165 WeakPolarHBondContact O-CB 3.29Å; R161-H165 PolarHBondContact O-N 3.21Å; R161-K168 VanDerWaalsContact CZ-CE 3.44Å
162	I	89.1	Confident	81.2	Confident	50 Å²	50	81.1 Å²	81.1	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-44.8	177.7	-68.9	165.6	0	0	0	110	P147 E158 F159 K164 G166	P147-I162 HydrophobicContact CG-CD1 4.25Å; E158-I162 HydrophobicContact CG-CD1 3.95Å; E158-I162 HydrophobicContact CG-CG1 4.45Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.35Å; F159-I162 PolarHBondContact O-N 3.05Å; F159-I162 VanDerWaalsContact O-N 3.17Å; I162-K164 PolarHBondContact O-N 3.35Å; I162-G166 CarbonylContact O-C 3.6Å; I162-G166 WeakPolarHBondContact O-CA 3.35Å; I162-G166 PolarHBondContact O-N 3.32Å
163	L	86	Confident	80.4	Confident	78 Å²	78	85 Å²	85	41%	0.408	44%	0.437	S	S	.	.	H	α-helix	trans	-60.2	-32.6	177.9	-176.6	62.9	0	0	0	112.5	T97 I103 F159 T160 R161	T97-L163 HydrophobicContact CG2-CD1 4.01Å; T97-L163 HydrophobicContact CG2-CD2 4.02Å; T97-L163 HydrophobicContact CG2-CG 3.94Å; I103-L163 HydrophobicContact CD1-CD2 4.04Å; F159-L163 HydrophobicContact CE1-CD2 4.17Å; F159-L163 VanDerWaalsContact O-CB 3.29Å; F159-L163 WeakPolarHBondContact O-CB 3.5Å; F159-L163 PolarHBondContact O-N 3.48Å; T160-L163 PolarHBondContact O-N 2.9Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 2.97Å
164	K	82	Confident	79.5	Confident	48 Å²	48	87 Å²	87	21%	0.209	45%	0.447	C	S	.	.	H	α-helix	trans	-91	-31.5	-179	-79.8	-60.1	-162.2	-169.5	0	115.7	T97 D98 E100 T160 R161 I162	T97-K164 PolarHBondContact O-NZ 3.25Å; T97-K164 WeakPolarHBondContact OG1-CD 3.18Å; T97-K164 WeakPolarHBondContact OG1-CE 3.34Å; T97-K164 PolarHBondContact OG1-NZ 2.82Å; D98-K164 WeakPolarHBondContact O-CE 3.26Å; D98-K164 PolarHBondContact O-NZ 2.62Å; E100-K164 HydrophobicContact CB-CG 4.21Å; T160-K164 WeakPolarHBondContact O-CB 3.37Å; T160-K164 PolarHBondContact O-N 2.96Å; R161-K164 PolarHBondContact O-N 2.94Å; I162-K164 PolarHBondContact O-N 3.35Å
165	H	82.3	Confident	78.5	Confident	137 Å²	137	91.8 Å²	91.8	63%	0.634	47%	0.472	S	S	*	.	H	α-helix	trans	-125.4	0	-168.8	-59.7	-55.4	0	0	0	113.6	E100 R161	E100-H165 IonicContact OE2-NE2 3.75Å; R161-H165 WeakPolarHBondContact O-CB 3.29Å; R161-H165 PolarHBondContact O-N 3.21Å
166	G	79.1	Confident	77.4	Confident	42 Å²	42	95.4 Å²	95.4	43%	0.433	49%	0.49	S	S	.	.			trans	78.6	170.2	-169.4	0	0	0	0	0	112.5	I162	I162-G166 CarbonylContact O-C 3.6Å; I162-G166 WeakPolarHBondContact O-CA 3.35Å; I162-G166 PolarHBondContact O-N 3.32Å
167	A	75.5	Confident	76.2	Confident	74 Å²	74	100.7 Å²	100.7	61%	0.612	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-64.9	140.3	170.1	0	0	0	0	0	109.5	D169	A167-D169 PolarHBondContact O-N 3Å
168	K	65.4	Low	74.9	Confident	144 Å²	144	103.4 Å²	103.4	63%	0.626	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-67.3	124.5	164.9	-80.7	-169.9	167.4	-167.7	0	108.5	R161 K170	R161-K168 VanDerWaalsContact CZ-CE 3.44Å; K168-K170 PolarHBondContact O-N 3.19Å
169	D	58.5	Low	73.5	Confident	145 Å²	145	104 Å²	104	78%	0.775	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-54.9	127.8	162.8	-66.6	-41.5	0	0	0	108	A167 D171	A167-D169 PolarHBondContact O-N 3Å; D169-D171 PolarHBondContact O-N 3.04Å
170	K	53.4	Low	71.9	Confident	205 Å²	205	109.7 Å²	109.7	89%	0.891	57%	0.566	S	S	*	*	S	Bend	trans	-76.2	21.7	-179.5	-80.4	-168.3	177.5	176.2	0	113.4	K168	K168-K170 PolarHBondContact O-N 3.19Å
171	D	44.2	Very low	70.3	Confident	154 Å²	154	118.8 Å²	118.8	82%	0.824	61%	0.613	S	S	*	*			trans	-106.8	45.6	-177.5	-71.1	-22.8	0	0	0	112.6	D169	D169-D171 PolarHBondContact O-N 3.04Å
172	D	39.5	Very low	68.6	Low	233 Å²	233	119.1 Å²	119.1	100%	1.246	63%	0.629	S	S	*	*			trans	-118.1	0	158.4	-90.8	-23.3	0	0	0	110.5

Retrieved 172 of 172 residues in 217.3 ms (Link to these results)

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