A0A096NFK1_PAPAN Loading...

Histone deacetylase complex subunit SAP18

AlphaFold DB (A0A2R9ACB7), UniProt , Accession A0A096NFK1, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, 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	35.9	Very low	35.5	Very low	234 Å²	234	130.6 Å²	130.6	100%	1.153	85%	0.853	S	S	*	*				0	125.1	0	-84.9	-177.8	171.1	0	0	108.7
2	L	33.5	Very low	36.3	Very low	162 Å²	162	139.2 Å²	139.2	85%	0.848	86%	0.855	S	S	*	*			trans	43.9	115	153.5	-74.5	110.2	0	0	0	120.1
3	A	38.4	Very low	36.5	Very low	95 Å²	95	142.1 Å²	142.1	79%	0.785	86%	0.861	S	S	*	*				86.1	144.7	87.2	0	0	0	0	0	111
4	A	38.9	Very low	36.5	Very low	105 Å²	105	138.6 Å²	138.6	87%	0.868	86%	0.855	S	S	*	*			cis	-154.3	168.8	9	0	0	0	0	0	105.4
5	G	35.4	Very low	36.8	Very low	69 Å²	69	134.4 Å²	134.4	71%	0.711	85%	0.849	S	S	*	*				128.2	108.9	50.6	0	0	0	0	0	109.4
6	V	39.3	Very low	37.4	Very low	159 Å²	159	140.8 Å²	140.8	96%	0.964	85%	0.852	S	S	*	*			trans	33.4	134.8	140.5	-172	0	0	0	0	122.5
7	G	32.8	Very low	37.9	Very low	73 Å²	73	146.6 Å²	146.6	75%	0.753	86%	0.855	S	S	*	*			trans	153.6	122.8	148.4	0	0	0	0	0	110.5
8	G	34.4	Very low	38.3	Very low	71 Å²	71	151.8 Å²	151.8	73%	0.732	86%	0.858	S	S	*	*			cis	117.2	123.4	25	0	0	0	0	0	108.6
9	Q	33.3	Very low	38.5	Very low	204 Å²	204	154.5 Å²	154.5	95%	0.953	86%	0.859	S	S	*	*			trans	77.5	122.4	172.2	-48.2	173.8	18.4	0	0	113.9
10	G	35.5	Very low	38.8	Very low	67 Å²	67	155.4 Å²	155.4	69%	0.691	86%	0.859	S	S	*	*			cis	98.9	98.7	39.8	0	0	0	0	0	107.1
11	E	33	Very low	39.3	Very low	198 Å²	198	152.2 Å²	152.2	93%	0.925	85%	0.853	S	S	*	*			trans	-179.1	132.2	145.2	-100.7	174.4	137	0	0	111.7
12	R	44.4	Very low	39.9	Very low	233 Å²	233	147 Å²	147	88%	0.879	83%	0.834	S	S	*	*			trans	-59.8	150.3	170.6	-60.8	164.9	175.5	178.2	-2.9	108.6
13	L	39.1	Very low	40.6	Very low	177 Å²	177	146.8 Å²	146.8	93%	0.927	83%	0.828	S	S	*	*				-167.6	136.5	128.4	-115.4	109.7	0	0	0	112.7
14	A	37.6	Very low	41	Very low	94 Å²	94	147 Å²	147	78%	0.777	82%	0.824	S	S	*	*			trans	-70.3	150.7	-177.1	0	0	0	0	0	113.4
15	G	39.8	Very low	41.7	Very low	75 Å²	75	152.3 Å²	152.3	77%	0.773	82%	0.822	S	S	*	*			trans	63.1	112.9	135.9	0	0	0	0	0	118.6
16	R	46.4	Very low	42.4	Very low	237 Å²	237	155.1 Å²	155.1	89%	0.894	83%	0.825	S	S	*	*			trans	-151.5	83.2	142	-142.9	161.9	176.6	172.6	-2.9	111.7	R18	R16-R18 PolarHBondContact O-N 2.85Å
17	R	46	Very low	42.9	Very low	239 Å²	239	152.3 Å²	152.3	90%	0.902	81%	0.808	S	S	*	*			trans	-49.8	110.6	156.1	-159.7	167.1	-179.2	170.4	-1.4	106.1	K19	R17-K19 VanDerWaalsContact C-N 3.34Å; R17-K19 PolarHBondContact O-N 3.04Å
18	R	45.1	Very low	44	Very low	240 Å²	240	157.2 Å²	157.2	91%	0.906	81%	0.812	S	S	*	*			trans	-59.7	99.1	176.6	-72.5	179.5	174.7	167.4	-2.1	107.2	R16 M20	R16-R18 PolarHBondContact O-N 2.85Å; R18-M20 PolarHBondContact O-N 3.12Å; R18-M20 VanDerWaalsContact O-N 3.16Å
19	K	42.8	Very low	44.9	Very low	203 Å²	203	162.6 Å²	162.6	88%	0.883	82%	0.817	S	S	*	*			trans	-66.8	108.6	167	-68.5	-173.7	177.9	-176.4	0	105.6	R17 A21	R17-K19 VanDerWaalsContact C-N 3.34Å; R17-K19 PolarHBondContact O-N 3.04Å; K19-A21 PolarHBondContact O-N 3.16Å; K19-A21 VanDerWaalsContact O-N 3.12Å
20	M	45.2	Very low	45.7	Very low	173 Å²	173	161.2 Å²	161.2	85%	0.852	81%	0.811	S	S	*	*			trans	-57	113.3	162.7	-70.7	-79.9	-79.1	0	0	106.3	R18 V22	R18-M20 PolarHBondContact O-N 3.12Å; R18-M20 VanDerWaalsContact O-N 3.16Å; M20-V22 PolarHBondContact O-N 2.95Å
21	A	48.2	Very low	46.9	Very low	89 Å²	89	164.6 Å²	164.6	74%	0.736	81%	0.812	S	S	*	*			trans	-65.5	105.3	162.4	0	0	0	0	0	105.7	K19 E23	K19-A21 PolarHBondContact O-N 3.16Å; K19-A21 VanDerWaalsContact O-N 3.12Å; A21-E23 PolarHBondContact O-N 3.07Å
22	V	47.7	Very low	47.8	Very low	124 Å²	124	164.4 Å²	164.4	75%	0.752	81%	0.808	S	S	*	*			trans	-62.9	97.5	158	152.8	0	0	0	0	104.8	M20 S24	M20-V22 PolarHBondContact O-N 2.95Å; V22-S24 PolarHBondContact O-N 3.11Å; V22-S24 VanDerWaalsContact O-N 3.11Å
23	E	49.2	Very low	48.6	Very low	157 Å²	157	160 Å²	160	73%	0.734	80%	0.795	S	S	*	*			trans	-62.6	107.7	160.4	-78.4	179.8	153.6	0	0	106.4	A21 R25	A21-E23 PolarHBondContact O-N 3.07Å; E23-R25 VanDerWaalsContact C-N 3.26Å; E23-R25 PolarHBondContact O-N 2.82Å
24	S	46.2	Very low	49.7	Very low	99 Å²	99	158.6 Å²	158.6	69%	0.692	78%	0.784	S	S	*	*			trans	-62	90.2	171.7	-57.7	0	0	0	0	108.9	V22 V26	V22-S24 PolarHBondContact O-N 3.11Å; V22-S24 VanDerWaalsContact O-N 3.11Å; S24-V26 PolarHBondContact O-N 3.03Å
25	R	54	Low	51.1	Low	217 Å²	217	159.6 Å²	159.6	82%	0.819	78%	0.783	S	S	*	*			trans	-72.3	85.9	162.6	-70.7	-177.9	-178.4	174.5	0.3	107.2	E23 T27	E23-R25 VanDerWaalsContact C-N 3.26Å; E23-R25 PolarHBondContact O-N 2.82Å; R25-T27 PolarHBondContact O-N 2.97Å
26	V	50.8	Low	52.5	Low	129 Å²	129	159.2 Å²	159.2	78%	0.782	76%	0.76	S	S	*	*			trans	-65.7	103	164.1	179.3	0	0	0	0	106.1	S24 Q28	S24-V26 PolarHBondContact O-N 3.03Å; V26-Q28 PolarHBondContact O-N 3.45Å
27	T	50.3	Low	54.1	Low	99 Å²	99	155.4 Å²	155.4	61%	0.607	75%	0.751	S	S	*	*			trans	-60.5	131	167.5	41.8	0	0	0	0	107.9	R25 E29	R25-T27 PolarHBondContact O-N 2.97Å; T27-E29 PolarHBondContact O-N 2.84Å
28	Q	54.9	Low	55.9	Low	177 Å²	177	149.6 Å²	149.6	83%	0.827	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-62.8	1.2	-172.2	-145.1	170.9	9.2	0	0	114.4	V26	V26-Q28 PolarHBondContact O-N 3.45Å
29	E	54.3	Low	57.9	Low	183 Å²	183	140.1 Å²	140.1	86%	0.855	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-88.4	-8.3	-169.8	-65.8	-166.6	136.5	0	0	115	T27	T27-E29 PolarHBondContact O-N 2.84Å
30	E	50	Low	60.2	Low	175 Å²	175	133.7 Å²	133.7	82%	0.818	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-122.2	40.9	177.5	-73	-170.1	140	0	0	113.5	K32	E30-K32 PolarHBondContact O-N 2.93Å
31	I	60.3	Low	62.5	Low	138 Å²	138	129.3 Å²	129.3	71%	0.708	66%	0.66	S	S	*	*			trans	-70.4	94.1	157.1	-56.4	171.9	0	0	0	105.8	K33	I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 2.86Å
32	K	52.5	Low	64.5	Low	195 Å²	195	133.9 Å²	133.9	85%	0.848	67%	0.666	S	S	*	*			trans	-46.5	105	160.7	-97.7	-179.9	175	177	0	106.4	E30 E34	E30-K32 PolarHBondContact O-N 2.93Å; K32-E34 VanDerWaalsContact C-N 3.32Å; K32-E34 PolarHBondContact O-N 2.82Å
33	K	59.6	Low	66.7	Low	139 Å²	139	136 Å²	136	60%	0.604	67%	0.665	S	S	*	*			trans	-63.1	101.6	174.6	-160.3	-172.5	-167.7	-160.5	0	105.2	I31 E36	I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 2.86Å; K33-E36 VanDerWaalsContact CE-OE1 3.26Å; K33-E36 WeakPolarHBondContact CE-OE1 3.44Å; K33-E36 IonicContact NZ-OE1 2.94Å; K33-E36 PolarHBondContact NZ-OE1 3.2Å
34	E	62.5	Low	68.7	Low	149 Å²	149	131.5 Å²	131.5	70%	0.696	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-52.6	140.3	173.3	-74.2	-169.7	161.7	0	0	108.1	K32 E36	K32-E34 VanDerWaalsContact C-N 3.32Å; K32-E34 PolarHBondContact O-N 2.82Å; E34-E36 PolarHBondContact O-N 3.32Å; E34-E36 VanDerWaalsContact O-N 3.15Å
35	P	67	Low	71	Confident	115 Å²	115	132.2 Å²	132.2	75%	0.747	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-54.8	126.3	179.2	22.7	-32	0	0	0	108.8	K37	P35-K37 PolarHBondContact O-N 3.15Å; P35-K37 VanDerWaalsContact O-N 3.08Å
36	E	70.4	Confident	72.9	Confident	66 Å²	66	124.9 Å²	124.9	31%	0.308	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-57.1	117.5	178.7	-77	169.9	-159.1	0	0	108.6	K33 E34 T140 Q142 S143	K33-E36 VanDerWaalsContact CE-OE1 3.26Å; K33-E36 WeakPolarHBondContact CE-OE1 3.44Å; K33-E36 IonicContact NZ-OE1 2.94Å; K33-E36 PolarHBondContact NZ-OE1 3.2Å; E34-E36 PolarHBondContact O-N 3.32Å; E34-E36 VanDerWaalsContact O-N 3.15Å; E36-T140 PolarHBondContact OE2-OG1 2.89Å; E36-Q142 HydrophobicContact CG-CG 4.45Å; E36-S143 WeakPolarHBondContact OE1-CA 3.42Å; E36-S143 WeakPolarHBondContact OE2-CA 3.43Å; E36-S143 WeakPolarHBondContact OE2-CB 3.29Å; E36-S143 PolarHBondContact OE2-N 3.34Å
37	K	79.7	Confident	75.1	Confident	158 Å²	158	119.5 Å²	119.5	69%	0.687	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-72.1	134.7	-178.2	-65.5	176	-174.8	170.9	0	108.7	P35	P35-K37 PolarHBondContact O-N 3.15Å; P35-K37 VanDerWaalsContact O-N 3.08Å
38	P	83	Confident	77.3	Confident	117 Å²	117	118.7 Å²	118.7	76%	0.76	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-60.5	144.4	174.8	24.7	-32.1	0	0	0	110.5
39	I	88.5	Confident	79.2	Confident	41 Å²	41	110.2 Å²	110.2	21%	0.21	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-86.3	133.3	-178	-65.3	176.9	0	0	0	109	R41 T44 W80 M81 D82	I39-R41 PolarHBondContact O-N 3.03Å; I39-T44 HydrophobicContact CG2-CG2 3.92Å; I39-W80 HydrophobicContact CD1-CB 4.41Å; I39-W80 HydrophobicContact CG2-CG 4.43Å; I39-M81 HydrophobicContact CD1-CB 3.75Å; I39-D82 HydrophobicContact CB-CB 4.46Å; I39-D82 HydrophobicContact CD1-CB 4.19Å; I39-D82 HydrophobicContact CG1-CB 4.21Å; I39-D82 PolarHBondContact N-OD2 3.04Å
40	D	91.2	Very high	81.2	Confident	68 Å²	68	104.7 Å²	104.7	36%	0.364	52%	0.522	S	S	.	.			trans	-73.4	95.3	170.1	-173.7	-16.9	0	0	0	108.7	E42 K43 T44	D40-E42 PolarHBondContact O-N 3.26Å; D40-E42 PolarHBondContact OD1-N 3.06Å; D40-K43 PolarHBondContact O-N 2.79Å; D40-K43 VanDerWaalsContact OD2-CD 3.32Å; D40-K43 WeakPolarHBondContact OD2-CD 3.14Å; D40-K43 WeakPolarHBondContact OD2-CE 3.46Å; D40-K43 IonicContact OD2-NZ 3.74Å; D40-K43 PolarHBondContact OD2-NZ 3.21Å; D40-T44 VanDerWaalsContact O-CB 3.22Å; D40-T44 WeakPolarHBondContact O-CB 3.19Å; D40-T44 PolarHBondContact O-N 3.4Å; D40-T44 PolarHBondContact O-OG1 3.23Å
41	R	92.1	Very high	83.4	Confident	81 Å²	81	96.3 Å²	96.3	31%	0.306	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.1	-175.6	-63.7	-174.5	175.2	-165.2	0	113.5	I39 W80 D82 E87	I39-R41 PolarHBondContact O-N 3.03Å; R41-W80 HydrophobicContact CB-CD2 4.04Å; R41-W80 HydrophobicContact CB-CE3 4.32Å; R41-W80 HydrophobicContact CB-CH2 4.05Å; R41-W80 HydrophobicContact CB-CZ2 3.73Å; R41-W80 HydrophobicContact CB-CZ3 4.34Å; R41-W80 VanDerWaalsContact CD-CE3 3.46Å; R41-W80 HydrophobicContact CG-CD2 3.6Å; R41-W80 HydrophobicContact CG-CE3 3.83Å; R41-W80 HydrophobicContact CG-CG 3.96Å; R41-W80 HydrophobicContact CG-CH2 4.45Å; R41-W80 HydrophobicContact CG-CZ2 4.25Å; R41-W80 HydrophobicContact CG-CZ3 4.25Å; R41-W80 VanDerWaalsContact O-CZ2 3.31Å; R41-W80 WeakPolarHBondContact O-CZ2 3.47Å; R41-D82 IonicContact CZ-OD1 3.11Å; R41-D82 IonicContact NE-OD1 3.98Å; R41-D82 PolarHBondContact NE-OD1 3.2Å; R41-D82 VanDerWaalsContact NE-OD1 3.16Å; R41-D82 IonicContact NE-OD2 3.51Å; R41-D82 IonicContact NH2-OD1 3.29Å; R41-D82 PolarHBondContact NH2-OD1 3.38Å; R41-E87 IonicContact CZ-OE1 3.74Å; R41-E87 IonicContact CZ-OE2 2.84Å; R41-E87 IonicContact NH1-OE1 2.74Å; R41-E87 PolarHBondContact NH1-OE1 3.24Å; R41-E87 IonicContact NH1-OE2 3.62Å; R41-E87 IonicContact NH2-OE1 2.69Å; R41-E87 IonicContact NH2-OE2 3.91Å; R41-E87 PolarHBondContact NH2-OE2 3.41Å
42	E	91.6	Very high	85.1	Confident	184 Å²	184	89.8 Å²	89.8	86%	0.86	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-32.3	176.4	-64.6	-177.2	175.8	0	0	111.9	D40	D40-E42 PolarHBondContact O-N 3.26Å; D40-E42 PolarHBondContact OD1-N 3.06Å
43	K	92.3	Very high	87	Confident	169 Å²	169	80.9 Å²	80.9	74%	0.735	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-17	-177.5	-62.6	-176.5	-166.7	129.5	0	113.9	D40	D40-K43 PolarHBondContact O-N 2.79Å; D40-K43 VanDerWaalsContact OD2-CD 3.32Å; D40-K43 WeakPolarHBondContact OD2-CD 3.14Å; D40-K43 WeakPolarHBondContact OD2-CE 3.46Å; D40-K43 IonicContact OD2-NZ 3.74Å; D40-K43 PolarHBondContact OD2-NZ 3.21Å
44	T	92	Very high	88.6	Confident	62 Å²	62	74.8 Å²	74.8	38%	0.38	39%	0.387	S	S	.	.	S	Bend	trans	-101.1	124.7	-177.3	-49.8	0	0	0	0	109.6	I39 D40 W80	I39-T44 HydrophobicContact CG2-CG2 3.92Å; D40-T44 VanDerWaalsContact O-CB 3.22Å; D40-T44 WeakPolarHBondContact O-CB 3.19Å; D40-T44 PolarHBondContact O-N 3.4Å; D40-T44 PolarHBondContact O-OG1 3.23Å; T44-W80 PolarHBondContact O-NE1 3.16Å
45	C	93.3	Very high	89.8	Confident	115 Å²	115	74 Å²	74	78%	0.777	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-62.9	134.1	174.2	-61.4	0	0	0	0	110.7
46	P	95.5	Very high	90.6	Very high	62 Å²	62	73.4 Å²	73.4	40%	0.403	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-67.1	151.2	176.6	28.2	-34.2	0	0	0	111.2	T79 W80	P46-T79 CarbonylContact C-O 3.53Å; P46-T79 WeakPolarHBondContact CA-O 3.42Å; P46-T79 WeakPolarHBondContact CB-O 3.26Å; P46-W80 HydrophobicContact CB-CD2 4.32Å; P46-W80 HydrophobicContact CB-CH2 4.31Å; P46-W80 HydrophobicContact CB-CZ2 3.9Å; P46-W80 HydrophobicContact CG-CZ2 4.31Å
47	L	95.6	Very high	91.2	Very high	17 Å²	17	71.6 Å²	71.6	9%	0.089	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	151.8	169.3	67.1	88.6	0	0	0	110.7	L49 Y78 T79 M81 F146 I148	L47-L49 HydrophobicContact CD1-CB 3.84Å; L47-Y78 WeakPolarHBondContact O-CA 3.47Å; L47-T79 HydrophobicContact CD1-CG2 4.11Å; L47-T79 WeakPolarHBondContact CG-O 3.48Å; L47-T79 PolarHBondContact N-O 3.45Å; L47-T79 PolarHBondContact O-N 3.04Å; L47-M81 HydrophobicContact CD2-CG 3.84Å; L47-M81 HydrophobicContact CD2-SD 3.37Å; L47-M81 WeakPolarHBondContact CD2-SD 3.3Å; L47-F146 HydrophobicContact CD1-CE1 4.34Å; L47-I148 HydrophobicContact CB-CD1 4.46Å; L47-I148 HydrophobicContact CB-CG1 4.47Å; L47-I148 HydrophobicContact CD2-CG1 4.4Å
48	L	96.1	Very high	91.7	Very high	81 Å²	81	73.2 Å²	73.2	42%	0.424	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	107.9	170.1	-176.2	71.1	0	0	0	109.3	Q76 Y78	L48-Q76 HydrophobicContact CD1-CB 4.07Å; L48-Y78 HydrophobicContact CB-CE1 4.41Å; L48-Y78 HydrophobicContact CD1-CD1 4.03Å; L48-Y78 HydrophobicContact CD1-CE1 3.57Å
49	L	96.3	Very high	92.1	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121.9	175.2	-179.2	67.4	0	0	0	109.5	L47 V51 I77 T79 L88 L141 F146 L152	L47-L49 HydrophobicContact CD1-CB 3.84Å; L49-V51 HydrophobicContact CD2-CG2 3.81Å; L49-V51 HydrophobicContact CG-CG2 3.79Å; L49-I77 HydrophobicContact CB-CB 4.37Å; L49-I77 WeakPolarHBondContact CB-O 2.97Å; L49-I77 PolarHBondContact N-O 3.27Å; L49-I77 PolarHBondContact O-N 3.47Å; L49-T79 HydrophobicContact CB-CG2 3.96Å; L49-T79 HydrophobicContact CD2-CG2 3.98Å; L49-L88 HydrophobicContact CD2-CD1 4.36Å; L49-L88 HydrophobicContact CD2-CD2 3.6Å; L49-L141 HydrophobicContact CD1-CD1 4.39Å; L49-L141 HydrophobicContact CD2-CD1 4.11Å; L49-F146 HydrophobicContact CD1-CE1 4.11Å; L49-F146 HydrophobicContact CD1-CE2 3.74Å; L49-F146 HydrophobicContact CD1-CZ 3.38Å; L49-L152 HydrophobicContact CD1-CB 4.14Å; L49-L152 HydrophobicContact CD2-CD2 4.09Å
50	R	95.9	Very high	92.3	Very high	66 Å²	66	68 Å²	68	25%	0.249	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.6	173.1	-65.5	174.4	70.6	-158.7	1.5	109.1	F52 E74 Y151 L152	R50-F52 HydrophobicContact CB-CE2 4.34Å; R50-E74 IonicContact CZ-OE1 3.01Å; R50-E74 IonicContact CZ-OE2 3.17Å; R50-E74 VanDerWaalsContact CZ-OE2 3.29Å; R50-E74 IonicContact NE-OE1 3.75Å; R50-E74 PolarHBondContact NE-OE1 3.15Å; R50-E74 IonicContact NE-OE2 3.51Å; R50-E74 PolarHBondContact NE-OE2 2.95Å; R50-E74 VanDerWaalsContact NE-OE2 3.11Å; R50-E74 IonicContact NH2-OE1 3.39Å; R50-E74 IonicContact NH2-OE2 3.39Å; R50-E74 PolarHBondContact NH2-OE2 2.69Å; R50-Y151 HydrophobicContact CB-CD1 4.23Å; R50-L152 PolarHBondContact O-N 3.21Å
51	V	95.9	Very high	92.2	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.7	-176.4	-174.6	0	0	0	0	109.4	L49 T53 E74 L75 I77 L152 I154	L49-V51 HydrophobicContact CD2-CG2 3.81Å; L49-V51 HydrophobicContact CG-CG2 3.79Å; V51-T53 HydrophobicContact CG1-CG2 4.35Å; V51-E74 CarbonylContact O-C 3.54Å; V51-L75 HydrophobicContact CB-CB 4.26Å; V51-L75 WeakPolarHBondContact CB-O 3.3Å; V51-L75 PolarHBondContact N-O 3.08Å; V51-L75 PolarHBondContact O-N 3.25Å; V51-I77 HydrophobicContact CG2-CD1 3.8Å; V51-I77 HydrophobicContact CG2-CG1 4.22Å; V51-L152 CarbonylContact C-O 3.58Å; V51-L152 VanDerWaalsContact CA-O 3.28Å; V51-L152 WeakPolarHBondContact CA-O 3.06Å; V51-L152 HydrophobicContact CG1-CD2 4.36Å; V51-L152 HydrophobicContact CG2-CB 4.23Å; V51-L152 HydrophobicContact CG2-CD2 4.11Å; V51-I154 HydrophobicContact CG1-CD1 3.38Å; V51-I154 HydrophobicContact CG1-CG1 3.82Å
52	F	95.4	Very high	92	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.6	172.9	-61.1	-80.4	0	0	0	109.1	R50 F65 V70 P71 E74 Y151 L152 D153 I154	R50-F52 HydrophobicContact CB-CE2 4.34Å; F52-F65 AromaticContact CD2-CE1 3.7Å; F52-F65 HydrophobicContact CD2-CE1 3.7Å; F52-F65 HydrophobicContact CD2-CZ 4.22Å; F52-F65 AromaticContact CE2-CE1 3.88Å; F52-F65 HydrophobicContact CE2-CE1 3.88Å; F52-F65 HydrophobicContact CG-CE1 4.06Å; F52-F65 HydrophobicContact CG-CZ 4.37Å; F52-F65 HydrophobicContact CZ-CE1 4.39Å; F52-V70 HydrophobicContact CE1-CB 3.82Å; F52-V70 HydrophobicContact CE1-CG2 4.23Å; F52-V70 HydrophobicContact CZ-CB 3.75Å; F52-V70 HydrophobicContact CZ-CG1 4Å; F52-V70 HydrophobicContact CZ-CG2 4.31Å; F52-P71 HydrophobicContact CD1-CB 3.94Å; F52-P71 HydrophobicContact CD1-CG 4.06Å; F52-P71 WeakPolarHBondContact CE1-O 3.47Å; F52-P71 HydrophobicContact CG-CG 4.41Å; F52-E74 HydrophobicContact CD1-CB 4.1Å; F52-E74 HydrophobicContact CD1-CG 4.44Å; F52-E74 HydrophobicContact CE1-CB 3.69Å; F52-E74 HydrophobicContact CE1-CG 3.84Å; F52-E74 WeakPolarHBondContact CE1-OE2 2.97Å; F52-E74 HydrophobicContact CZ-CB 4.46Å; F52-E74 HydrophobicContact CZ-CG 4.11Å; F52-E74 WeakPolarHBondContact CZ-OE2 3.25Å; F52-Y151 HydrophobicContact CD2-CG 4.4Å; F52-Y151 HydrophobicContact CE2-CD1 4.22Å; F52-Y151 HydrophobicContact CE2-CD2 4Å; F52-Y151 AromaticContact CE2-CG 3.72Å; F52-Y151 HydrophobicContact CE2-CG 3.72Å; F52-L152 PolarHBondContact N-O 3.15Å; F52-D153 CarbonylContact O-C 3.55Å; F52-D153 WeakPolarHBondContact O-CA 3.32Å; F52-I154 PolarHBondContact O-N 2.91Å
53	T	93.4	Very high	91.7	Very high	8 Å²	8	66.5 Å²	66.5	5%	0.049	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.9	-178.3	64	0	0	0	0	111.9	V51 H60 S73 Y96 I154 I156	V51-T53 HydrophobicContact CG1-CG2 4.35Å; T53-H60 PolarHBondContact O-CE1 2.76Å; T53-S73 PolarHBondContact N-O 3.35Å; T53-Y96 HydrophobicContact CG2-CE2 4.25Å; T53-Y96 PolarHBondContact OG1-OH 3.41Å; T53-I154 WeakPolarHBondContact CA-O 3.48Å; T53-I154 HydrophobicContact CG2-CB 4.35Å; T53-I156 HydrophobicContact CG2-CD1 4.43Å
54	T	92.1	Very high	91.4	Very high	12 Å²	12	62.2 Å²	62.2	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.6	170.9	70	0	0	0	0	110.8	N56 R58 H60 I154 A155 I156	T54-N56 WeakPolarHBondContact CB-OD1 3.45Å; T54-N56 PolarHBondContact OG1-OD1 2.88Å; T54-R58 WeakPolarHBondContact CB-O 3.17Å; T54-R58 WeakPolarHBondContact CG2-O 3.22Å; T54-R58 PolarHBondContact OG1-O 2.83Å; T54-H60 WeakPolarHBondContact CG2-CE1 3.49Å; T54-H60 VanDerWaalsContact CG2-ND1 3.32Å; T54-H60 WeakPolarHBondContact CG2-ND1 3.24Å; T54-H60 WeakPolarHBondContact CG2-NE2 3.22Å; T54-I154 PolarHBondContact N-O 3.24Å; T54-A155 WeakPolarHBondContact OG1-CA 3.34Å; T54-I156 WeakPolarHBondContact O-CA 3.23Å; T54-I156 VanDerWaalsContact O-CB 3.28Å; T54-I156 WeakPolarHBondContact O-CB 3.5Å; T54-I156 PolarHBondContact O-N 3.42Å
55	N	88.6	Confident	91	Very high	133 Å²	133	59.3 Å²	59.3	71%	0.711	30%	0.298	S	S	*	.	S	Bend	trans	-113.1	1.4	176.8	64.4	0.1	0	0	0	113.3	G57 I156	N55-G57 VanDerWaalsContact C-N 3.29Å; N55-I156 CarbonylContact C-O 3.45Å
56	N	83.8	Confident	90.5	Very high	101 Å²	101	55.5 Å²	55.5	54%	0.54	27%	0.273	S	S	.	.	S	Bend	trans	-87.1	-0.4	-179.5	64.1	7.8	0	0	0	112.6	T54 R58	T54-N56 WeakPolarHBondContact CB-OD1 3.45Å; T54-N56 PolarHBondContact OG1-OD1 2.88Å; N56-R58 VanDerWaalsContact C-N 3.32Å; N56-R58 PolarHBondContact OD1-N 2.79Å; N56-R58 PolarHBondContact OD1-O 2.85Å
57	G	82.7	Confident	89.8	Confident	29 Å²	29	63.4 Å²	63.4	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	74.2	15.9	-178	0	0	0	0	0	115	N55 T157	N55-G57 VanDerWaalsContact C-N 3.29Å; G57-T157 WeakPolarHBondContact CA-OG1 3.36Å
58	R	89.6	Confident	89	Confident	192 Å²	192	66 Å²	66	73%	0.725	33%	0.326	S	S	*	.	S	Bend	trans	-132	148.2	175.7	-62.8	-174.8	-179.2	-160	-0.6	110.5	T54 N56	T54-R58 WeakPolarHBondContact CB-O 3.17Å; T54-R58 WeakPolarHBondContact CG2-O 3.22Å; T54-R58 PolarHBondContact OG1-O 2.83Å; N56-R58 VanDerWaalsContact C-N 3.32Å; N56-R58 PolarHBondContact OD1-N 2.79Å; N56-R58 PolarHBondContact OD1-O 2.85Å
59	H	92.9	Very high	88.4	Confident	29 Å²	29	66.9 Å²	66.9	13%	0.134	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-63.3	152.5	173.1	-72.3	-67	0	0	0	111.8	N107 A109 E124 D153	H59-N107 PolarHBondContact CE1-O 2.97Å; H59-N107 VanDerWaalsContact CE1-O 3.23Å; H59-N107 VanDerWaalsContact NE2-CG 3.32Å; H59-N107 PolarHBondContact NE2-OD1 2.9Å; H59-A109 VanDerWaalsContact CE1-CB 3.46Å; H59-A109 WeakPolarHBondContact CE1-CB 3.47Å; H59-E124 IonicContact CD2-OE1 2.66Å; H59-D153 WeakPolarHBondContact CA-OD2 3.38Å; H59-D153 WeakPolarHBondContact CB-OD2 3.31Å; H59-D153 IonicContact CE1-OD2 3.98Å; H59-D153 IonicContact CG-OD2 3.36Å; H59-D153 IonicContact ND1-OD2 2.78Å; H59-D153 PolarHBondContact ND1-OD2 3.38Å
60	H	91.8	Very high	88	Confident	19 Å²	19	69.3 Å²	69.3	9%	0.088	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-58.5	145.4	172	-73.7	105.7	0	0	0	110.1	T53 T54 M62 E64 F65 P71 D153	T53-H60 PolarHBondContact O-CE1 2.76Å; T54-H60 WeakPolarHBondContact CG2-CE1 3.49Å; T54-H60 VanDerWaalsContact CG2-ND1 3.32Å; T54-H60 WeakPolarHBondContact CG2-ND1 3.24Å; T54-H60 WeakPolarHBondContact CG2-NE2 3.22Å; H60-M62 WeakPolarHBondContact O-CE 3.3Å; H60-E64 IonicContact CD2-OE1 3.42Å; H60-E64 IonicContact CD2-OE2 3.67Å; H60-E64 PolarHBondContact CD2-OE2 3.14Å; H60-F65 HydrophobicContact CB-CE2 3.45Å; H60-F65 VanDerWaalsContact CB-CE2 3.45Å; H60-F65 HydrophobicContact CB-CZ 3.76Å; H60-P71 HydrophobicContact CB-CG 4.34Å; H60-P71 WeakPolarHBondContact NE2-CB 3.18Å; H60-D153 IonicContact CE1-OD1 3.59Å; H60-D153 IonicContact CG-OD1 3.68Å; H60-D153 PolarHBondContact N-OD2 3.08Å; H60-D153 IonicContact ND1-OD1 2.68Å; H60-D153 PolarHBondContact ND1-OD1 3.32Å; H60-D153 IonicContact ND1-OD2 3.96Å
61	R	89.5	Confident	87.6	Confident	163 Å²	163	66.7 Å²	66.7	62%	0.615	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-78.9	154.5	178.5	-55.8	177.2	53.5	-175.4	-2	110.7	D63 E64 F65	R61-D63 WeakPolarHBondContact CB-OD1 3.27Å; R61-D63 IonicContact CZ-OD1 3.57Å; R61-D63 IonicContact CZ-OD2 3.82Å; R61-D63 IonicContact NE-OD1 3.89Å; R61-D63 PolarHBondContact NE-OD1 2.85Å; R61-D63 IonicContact NE-OD2 3.79Å; R61-D63 IonicContact NH1-OD2 3.66Å; R61-D63 IonicContact NH2-OD1 3.75Å; R61-D63 PolarHBondContact NH2-OD1 3.37Å; R61-D63 IonicContact NH2-OD2 2.79Å; R61-D63 PolarHBondContact O-N 2.84Å; R61-E64 HydrophobicContact CB-CG 4.39Å; R61-E64 PolarHBondContact N-OE1 2.82Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 3.31Å; R61-F65 WeakPolarHBondContact O-CD2 3.32Å
62	M	86.8	Confident	86.9	Confident	63 Å²	63	72.8 Å²	72.8	31%	0.31	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-63.7	-28.3	-177.6	-53.7	-46.5	109.7	0	0	112.5	H60 E64 F65 S66 Y120 V122	H60-M62 WeakPolarHBondContact O-CE 3.3Å; M62-E64 PolarHBondContact O-N 3.32Å; M62-F65 PolarHBondContact O-N 3.14Å; M62-S66 PolarHBondContact O-N 3.35Å; M62-S66 PolarHBondContact O-OG 3.25Å; M62-Y120 WeakPolarHBondContact CG-O 3.48Å; M62-V122 HydrophobicContact CE-CB 3.42Å; M62-V122 VanDerWaalsContact CE-CB 3.42Å; M62-V122 HydrophobicContact CE-CG1 4.41Å; M62-V122 HydrophobicContact CE-CG2 3.18Å; M62-V122 HydrophobicContact SD-CB 3.84Å; M62-V122 HydrophobicContact SD-CG2 3.44Å; M62-V122 WeakPolarHBondContact SD-CG2 3.23Å
63	D	85.8	Confident	86.4	Confident	76 Å²	76	75.5 Å²	75.5	41%	0.406	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-64.9	-26	176.6	45.3	-62.4	0	0	0	112.9	R61 F65 S66	R61-D63 WeakPolarHBondContact CB-OD1 3.27Å; R61-D63 IonicContact CZ-OD1 3.57Å; R61-D63 IonicContact CZ-OD2 3.82Å; R61-D63 IonicContact NE-OD1 3.89Å; R61-D63 PolarHBondContact NE-OD1 2.85Å; R61-D63 IonicContact NE-OD2 3.79Å; R61-D63 IonicContact NH1-OD2 3.66Å; R61-D63 IonicContact NH2-OD1 3.75Å; R61-D63 PolarHBondContact NH2-OD1 3.37Å; R61-D63 IonicContact NH2-OD2 2.79Å; R61-D63 PolarHBondContact O-N 2.84Å; D63-F65 VanDerWaalsContact C-N 3.29Å; D63-F65 PolarHBondContact O-N 3.4Å; D63-S66 WeakPolarHBondContact O-CB 3.34Å; D63-S66 PolarHBondContact O-N 2.76Å
64	E	86.3	Confident	86.3	Confident	79 Å²	79	77.9 Å²	77.9	37%	0.369	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-72.6	-25.1	177.6	-58.6	-177.1	-110.2	0	0	112.5	H60 R61 M62 N69 P71	H60-E64 IonicContact CD2-OE1 3.42Å; H60-E64 IonicContact CD2-OE2 3.67Å; H60-E64 PolarHBondContact CD2-OE2 3.14Å; R61-E64 HydrophobicContact CB-CG 4.39Å; R61-E64 PolarHBondContact N-OE1 2.82Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 3.31Å; M62-E64 PolarHBondContact O-N 3.32Å; E64-N69 CarbonylContact O-C 3.58Å; E64-P71 HydrophobicContact CB-CG 4.3Å
65	F	84.5	Confident	86.4	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-92.5	-2.3	174.5	-60.1	-80.4	0	0	0	113	F52 H60 R61 M62 D63 N69 V70 P71 V111 Y120 Y151	F52-F65 AromaticContact CD2-CE1 3.7Å; F52-F65 HydrophobicContact CD2-CE1 3.7Å; F52-F65 HydrophobicContact CD2-CZ 4.22Å; F52-F65 AromaticContact CE2-CE1 3.88Å; F52-F65 HydrophobicContact CE2-CE1 3.88Å; F52-F65 HydrophobicContact CG-CE1 4.06Å; F52-F65 HydrophobicContact CG-CZ 4.37Å; F52-F65 HydrophobicContact CZ-CE1 4.39Å; H60-F65 HydrophobicContact CB-CE2 3.45Å; H60-F65 VanDerWaalsContact CB-CE2 3.45Å; H60-F65 HydrophobicContact CB-CZ 3.76Å; R61-F65 WeakPolarHBondContact O-CD2 3.32Å; M62-F65 PolarHBondContact O-N 3.14Å; D63-F65 VanDerWaalsContact C-N 3.29Å; D63-F65 PolarHBondContact O-N 3.4Å; F65-N69 CarbonylContact C-O 3.48Å; F65-N69 VanDerWaalsContact CA-O 3.3Å; F65-N69 WeakPolarHBondContact CA-O 3.27Å; F65-V70 HydrophobicContact CD1-CG1 4.46Å; F65-P71 HydrophobicContact CD1-CG 4.45Å; F65-P71 HydrophobicContact CE1-CG 3.81Å; F65-P71 HydrophobicContact CE2-CG 4.44Å; F65-P71 HydrophobicContact CZ-CG 3.8Å; F65-V111 HydrophobicContact CD1-CG1 4.49Å; F65-V111 HydrophobicContact CD2-CG1 3.97Å; F65-V111 HydrophobicContact CE1-CG2 4.46Å; F65-V111 HydrophobicContact CE2-CG1 4.12Å; F65-V111 HydrophobicContact CE2-CG2 4.1Å; F65-V111 HydrophobicContact CG-CG1 4.16Å; F65-V111 HydrophobicContact CZ-CG1 4.47Å; F65-V111 HydrophobicContact CZ-CG2 3.94Å; F65-Y120 HydrophobicContact CB-CD1 4.27Å; F65-Y120 HydrophobicContact CB-CD2 3.66Å; F65-Y120 HydrophobicContact CB-CE2 4.08Å; F65-Y120 HydrophobicContact CB-CG 3.76Å; F65-Y120 VanDerWaalsContact O-CD2 3.25Å; F65-Y120 WeakPolarHBondContact O-CD2 3.41Å; F65-Y120 WeakPolarHBondContact O-CE2 3.36Å; F65-Y151 AromaticContact CD1-CD2 3.81Å; F65-Y151 HydrophobicContact CD1-CD2 3.81Å; F65-Y151 HydrophobicContact CD1-CE2 4.13Å; F65-Y151 HydrophobicContact CE1-CD2 4.03Å
66	S	82.7	Confident	86.7	Confident	36 Å²	36	77.4 Å²	77.4	25%	0.252	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-80.5	154.9	-173.7	-67.1	0	0	0	0	112.4	M62 D63 G68 N69	M62-S66 PolarHBondContact O-N 3.35Å; M62-S66 PolarHBondContact O-OG 3.25Å; D63-S66 WeakPolarHBondContact O-CB 3.34Å; D63-S66 PolarHBondContact O-N 2.76Å; S66-G68 VanDerWaalsContact C-N 3.29Å; S66-G68 PolarHBondContact O-N 3.46Å; S66-N69 PolarHBondContact O-N 3.27Å
67	R	79.8	Confident	87.3	Confident	227 Å²	227	73.2 Å²	73.2	86%	0.857	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	60.4	30.9	176.5	-57.7	-179.2	-72.7	-110.4	-2.5	114.8	N69	R67-N69 PolarHBondContact O-N 3.47Å
68	G	78.3	Confident	87.9	Confident	72 Å²	72	79.7 Å²	79.7	74%	0.742	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	77.1	5.8	178.8	0	0	0	0	0	114.3	S66	S66-G68 VanDerWaalsContact C-N 3.29Å; S66-G68 PolarHBondContact O-N 3.46Å
69	N	83.8	Confident	88.1	Confident	99 Å²	99	70.6 Å²	70.6	53%	0.529	36%	0.363	S	S	.	.			trans	-82.8	154.3	170.6	-66.3	-32.2	0	0	0	110.5	E64 F65 S66 R67	E64-N69 CarbonylContact O-C 3.58Å; F65-N69 CarbonylContact C-O 3.48Å; F65-N69 VanDerWaalsContact CA-O 3.3Å; F65-N69 WeakPolarHBondContact CA-O 3.27Å; S66-N69 PolarHBondContact O-N 3.27Å; R67-N69 PolarHBondContact O-N 3.47Å
70	V	87.6	Confident	88.3	Confident	51 Å²	51	71.6 Å²	71.6	31%	0.309	37%	0.366	S	S	.	.			trans	-137.8	154.3	170	-67.9	0	0	0	0	109.3	F52 F65 Y151	F52-V70 HydrophobicContact CE1-CB 3.82Å; F52-V70 HydrophobicContact CE1-CG2 4.23Å; F52-V70 HydrophobicContact CZ-CB 3.75Å; F52-V70 HydrophobicContact CZ-CG1 4Å; F52-V70 HydrophobicContact CZ-CG2 4.31Å; F65-V70 HydrophobicContact CD1-CG1 4.46Å; V70-Y151 HydrophobicContact CG1-CE2 4.33Å
71	P	88.6	Confident	88.4	Confident	11 Å²	11	72.9 Å²	72.9	7%	0.071	37%	0.372	C	S	.	.			trans	-58.8	146.2	174.3	-22.3	32.1	0	0	0	112.5	F52 H60 E64 F65 S73	F52-P71 HydrophobicContact CD1-CB 3.94Å; F52-P71 HydrophobicContact CD1-CG 4.06Å; F52-P71 WeakPolarHBondContact CE1-O 3.47Å; F52-P71 HydrophobicContact CG-CG 4.41Å; H60-P71 HydrophobicContact CB-CG 4.34Å; H60-P71 WeakPolarHBondContact NE2-CB 3.18Å; E64-P71 HydrophobicContact CB-CG 4.3Å; F65-P71 HydrophobicContact CD1-CG 4.45Å; F65-P71 HydrophobicContact CE1-CG 3.81Å; F65-P71 HydrophobicContact CE2-CG 4.44Å; F65-P71 HydrophobicContact CZ-CG 3.8Å; P71-S73 VanDerWaalsContact C-N 3.3Å; P71-S73 PolarHBondContact O-N 3.29Å
72	S	81.9	Confident	88.6	Confident	128 Å²	128	66.4 Å²	66.4	90%	0.895	35%	0.35	S	S	*	.	S	Bend	trans	-70	-23.5	-176.2	-50.3	0	0	0	0	114.3	E74	S72-E74 PolarHBondContact O-N 3.36Å
73	S	84.9	Confident	89	Confident	58 Å²	58	63.4 Å²	63.4	41%	0.406	34%	0.335	S	S	.	.			trans	-84.6	62.2	-179.2	-61	0	0	0	0	111.5	T53 P71	T53-S73 PolarHBondContact N-O 3.35Å; P71-S73 VanDerWaalsContact C-N 3.3Å; P71-S73 PolarHBondContact O-N 3.29Å
74	E	91.4	Very high	89.5	Confident	57 Å²	57	61.6 Å²	61.6	27%	0.266	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.3	177.8	-173.6	175.6	130.4	0	0	111.7	R50 V51 F52 S72 Q76	R50-E74 IonicContact CZ-OE1 3.01Å; R50-E74 IonicContact CZ-OE2 3.17Å; R50-E74 VanDerWaalsContact CZ-OE2 3.29Å; R50-E74 IonicContact NE-OE1 3.75Å; R50-E74 PolarHBondContact NE-OE1 3.15Å; R50-E74 IonicContact NE-OE2 3.51Å; R50-E74 PolarHBondContact NE-OE2 2.95Å; R50-E74 VanDerWaalsContact NE-OE2 3.11Å; R50-E74 IonicContact NH2-OE1 3.39Å; R50-E74 IonicContact NH2-OE2 3.39Å; R50-E74 PolarHBondContact NH2-OE2 2.69Å; V51-E74 CarbonylContact O-C 3.54Å; F52-E74 HydrophobicContact CD1-CB 4.1Å; F52-E74 HydrophobicContact CD1-CG 4.44Å; F52-E74 HydrophobicContact CE1-CB 3.69Å; F52-E74 HydrophobicContact CE1-CG 3.84Å; F52-E74 WeakPolarHBondContact CE1-OE2 2.97Å; F52-E74 HydrophobicContact CZ-CB 4.46Å; F52-E74 HydrophobicContact CZ-CG 4.11Å; F52-E74 WeakPolarHBondContact CZ-OE2 3.25Å; S72-E74 PolarHBondContact O-N 3.36Å; E74-Q76 HydrophobicContact CG-CG 4.37Å; E74-Q76 WeakPolarHBondContact OE1-CG 3.41Å; E74-Q76 PolarHBondContact OE1-NE2 3.4Å
75	L	93.2	Very high	90	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.2	168.9	176.1	63.5	0	0	0	108.8	V51 I77 V92 V95	V51-L75 HydrophobicContact CB-CB 4.26Å; V51-L75 WeakPolarHBondContact CB-O 3.3Å; V51-L75 PolarHBondContact N-O 3.08Å; V51-L75 PolarHBondContact O-N 3.25Å; L75-I77 HydrophobicContact CD2-CD1 3.94Å; L75-I77 HydrophobicContact CD2-CG1 4.15Å; L75-I77 HydrophobicContact CG-CD1 4.29Å; L75-I77 HydrophobicContact CG-CG1 3.97Å; L75-V92 HydrophobicContact CD2-CG2 4.24Å; L75-V95 HydrophobicContact CD1-CG2 3.87Å; L75-V95 HydrophobicContact CD2-CG2 4.38Å
76	Q	94.9	Very high	90.5	Very high	109 Å²	109	63.3 Å²	63.3	51%	0.509	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.1	177.4	-68.2	-178.4	4.1	0	0	110.1	L48 E74	L48-Q76 HydrophobicContact CD1-CB 4.07Å; E74-Q76 HydrophobicContact CG-CG 4.37Å; E74-Q76 WeakPolarHBondContact OE1-CG 3.41Å; E74-Q76 PolarHBondContact OE1-NE2 3.4Å
77	I	95.5	Very high	91.2	Very high	13 Å²	13	64.3 Å²	64.3	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.8	-176.6	-57.9	-177.9	0	0	0	109.3	L49 V51 L75 T79 L88 L91	L49-I77 HydrophobicContact CB-CB 4.37Å; L49-I77 WeakPolarHBondContact CB-O 2.97Å; L49-I77 PolarHBondContact N-O 3.27Å; L49-I77 PolarHBondContact O-N 3.47Å; V51-I77 HydrophobicContact CG2-CD1 3.8Å; V51-I77 HydrophobicContact CG2-CG1 4.22Å; L75-I77 HydrophobicContact CD2-CD1 3.94Å; L75-I77 HydrophobicContact CD2-CG1 4.15Å; L75-I77 HydrophobicContact CG-CD1 4.29Å; L75-I77 HydrophobicContact CG-CG1 3.97Å; I77-T79 HydrophobicContact CG2-CG2 4.45Å; I77-L88 HydrophobicContact CD1-CD2 4.3Å; I77-L91 HydrophobicContact CD1-CB 4.08Å; I77-L91 HydrophobicContact CD1-CD1 4.02Å; I77-L91 HydrophobicContact CG2-CD1 3.52Å
78	Y	95.5	Very high	92	Very high	164 Å²	164	53.5 Å²	53.5	64%	0.643	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.6	167.2	-65.2	-68.9	0	0	0	109.5	L47 L48	L47-Y78 WeakPolarHBondContact O-CA 3.47Å; L48-Y78 HydrophobicContact CB-CE1 4.41Å; L48-Y78 HydrophobicContact CD1-CD1 4.03Å; L48-Y78 HydrophobicContact CD1-CE1 3.57Å
79	T	95.6	Very high	92.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-170.3	-175.8	-160.8	0	0	0	0	112.4	P46 L47 L49 I77 A83 L141	P46-T79 CarbonylContact C-O 3.53Å; P46-T79 WeakPolarHBondContact CA-O 3.42Å; P46-T79 WeakPolarHBondContact CB-O 3.26Å; L47-T79 HydrophobicContact CD1-CG2 4.11Å; L47-T79 WeakPolarHBondContact CG-O 3.48Å; L47-T79 PolarHBondContact N-O 3.45Å; L47-T79 PolarHBondContact O-N 3.04Å; L49-T79 HydrophobicContact CB-CG2 3.96Å; L49-T79 HydrophobicContact CD2-CG2 3.98Å; I77-T79 HydrophobicContact CG2-CG2 4.45Å; T79-A83 HydrophobicContact CG2-CB 4.11Å; T79-A83 WeakPolarHBondContact OG1-CB 3.44Å; T79-L141 HydrophobicContact CG2-CD1 4.31Å
80	W	95.8	Very high	93.3	Very high	50 Å²	50	47.9 Å²	47.9	19%	0.189	25%	0.25	C	S	.	.			trans	-125.7	169.4	179.2	-65.7	-95.7	0	0	0	110.9	I39 R41 T44 P46 D82 A83	I39-W80 HydrophobicContact CD1-CB 4.41Å; I39-W80 HydrophobicContact CG2-CG 4.43Å; R41-W80 HydrophobicContact CB-CD2 4.04Å; R41-W80 HydrophobicContact CB-CE3 4.32Å; R41-W80 HydrophobicContact CB-CH2 4.05Å; R41-W80 HydrophobicContact CB-CZ2 3.73Å; R41-W80 HydrophobicContact CB-CZ3 4.34Å; R41-W80 VanDerWaalsContact CD-CE3 3.46Å; R41-W80 HydrophobicContact CG-CD2 3.6Å; R41-W80 HydrophobicContact CG-CE3 3.83Å; R41-W80 HydrophobicContact CG-CG 3.96Å; R41-W80 HydrophobicContact CG-CH2 4.45Å; R41-W80 HydrophobicContact CG-CZ2 4.25Å; R41-W80 HydrophobicContact CG-CZ3 4.25Å; R41-W80 VanDerWaalsContact O-CZ2 3.31Å; R41-W80 WeakPolarHBondContact O-CZ2 3.47Å; T44-W80 PolarHBondContact O-NE1 3.16Å; P46-W80 HydrophobicContact CB-CD2 4.32Å; P46-W80 HydrophobicContact CB-CH2 4.31Å; P46-W80 HydrophobicContact CB-CZ2 3.9Å; P46-W80 HydrophobicContact CG-CZ2 4.31Å; W80-D82 WeakPolarHBondContact CB-OD1 3.37Å; W80-D82 PolarHBondContact O-N 3.12Å; W80-A83 WeakPolarHBondContact O-CB 3.44Å; W80-A83 PolarHBondContact O-N 3.39Å; W80-A83 VanDerWaalsContact O-N 3.08Å
81	M	94	Very high	93.6	Very high	46 Å²	46	47.9 Å²	47.9	23%	0.227	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.2	-179.4	-61.3	-68.5	-67.7	0	0	112.9	I39 L47 A83 L141 Q142 F146	I39-M81 HydrophobicContact CD1-CB 3.75Å; L47-M81 HydrophobicContact CD2-CG 3.84Å; L47-M81 HydrophobicContact CD2-SD 3.37Å; L47-M81 WeakPolarHBondContact CD2-SD 3.3Å; M81-A83 VanDerWaalsContact C-N 3.25Å; M81-A83 PolarHBondContact O-N 3.01Å; M81-L141 WeakPolarHBondContact O-CB 3.34Å; M81-L141 PolarHBondContact O-N 3.34Å; M81-Q142 HydrophobicContact CB-CB 4.07Å; M81-Q142 VanDerWaalsContact O-CB 3.3Å; M81-Q142 WeakPolarHBondContact O-CB 3.42Å; M81-Q142 PolarHBondContact O-N 3.01Å; M81-F146 HydrophobicContact CE-CB 4.4Å; M81-F146 HydrophobicContact CE-CD1 4.11Å; M81-F146 WeakPolarHBondContact CE-O 2.93Å; M81-F146 HydrophobicContact SD-CD1 3.92Å
82	D	93.9	Very high	93.9	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.144	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.5	175.7	73.8	-9	0	0	0	113.5	I39 R41 W80 T84 T140	I39-D82 HydrophobicContact CB-CB 4.46Å; I39-D82 HydrophobicContact CD1-CB 4.19Å; I39-D82 HydrophobicContact CG1-CB 4.21Å; I39-D82 PolarHBondContact N-OD2 3.04Å; R41-D82 IonicContact CZ-OD1 3.11Å; R41-D82 IonicContact NE-OD1 3.98Å; R41-D82 PolarHBondContact NE-OD1 3.2Å; R41-D82 VanDerWaalsContact NE-OD1 3.16Å; R41-D82 IonicContact NE-OD2 3.51Å; R41-D82 IonicContact NH2-OD1 3.29Å; R41-D82 PolarHBondContact NH2-OD1 3.38Å; W80-D82 WeakPolarHBondContact CB-OD1 3.37Å; W80-D82 PolarHBondContact O-N 3.12Å; D82-T84 PolarHBondContact O-N 3.01Å; D82-T140 VanDerWaalsContact O-CG2 3.32Å; D82-T140 WeakPolarHBondContact O-CG2 3.37Å
83	A	95.6	Very high	94.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.			trans	-60.2	130.4	178.6	0	0	0	0	0	111.3	T79 W80 M81 T140 L141	T79-A83 HydrophobicContact CG2-CB 4.11Å; T79-A83 WeakPolarHBondContact OG1-CB 3.44Å; W80-A83 WeakPolarHBondContact O-CB 3.44Å; W80-A83 PolarHBondContact O-N 3.39Å; W80-A83 VanDerWaalsContact O-N 3.08Å; M81-A83 VanDerWaalsContact C-N 3.25Å; M81-A83 PolarHBondContact O-N 3.01Å; A83-T140 VanDerWaalsContact O-CA 3.27Å; A83-T140 WeakPolarHBondContact O-CA 3.42Å; A83-L141 HydrophobicContact CB-CD1 4.13Å; A83-L141 HydrophobicContact CB-CG 4.47Å; A83-L141 PolarHBondContact O-N 2.81Å; A83-L141 VanDerWaalsContact O-N 3.14Å
84	T	96.5	Very high	94.8	Very high	38 Å²	38	46.9 Å²	46.9	23%	0.233	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-91.2	156.4	-176.2	63.3	0	0	0	0	112.4	D82 K86 E87 L88 D137 M139 T140	D82-T84 PolarHBondContact O-N 3.01Å; T84-K86 PolarHBondContact O-N 2.76Å; T84-E87 WeakPolarHBondContact O-CB 3.47Å; T84-E87 PolarHBondContact O-N 2.8Å; T84-E87 VanDerWaalsContact O-N 3.08Å; T84-E87 WeakPolarHBondContact OG1-CB 3.34Å; T84-E87 PolarHBondContact OG1-N 2.99Å; T84-L88 WeakPolarHBondContact O-CG 3.45Å; T84-L88 PolarHBondContact O-N 3.24Å; T84-D137 WeakPolarHBondContact CB-O 3.2Å; T84-M139 CarbonylContact C-O 3.55Å; T84-M139 VanDerWaalsContact CA-O 3.24Å; T84-M139 WeakPolarHBondContact CA-O 3.2Å; T84-T140 HydrophobicContact CG2-CG2 4.13Å
85	L	96.4	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-35	173.9	-58.7	-169.7	0	0	0	111.9	T89 F108 I125 T128 D136 M139	L85-T89 WeakPolarHBondContact O-CB 3.46Å; L85-T89 PolarHBondContact O-N 3.48Å; L85-T89 PolarHBondContact O-OG1 2.85Å; L85-F108 HydrophobicContact CB-CD2 4.38Å; L85-F108 HydrophobicContact CB-CE2 4.19Å; L85-F108 HydrophobicContact CB-CZ 4.34Å; L85-F108 HydrophobicContact CD1-CB 4.47Å; L85-F108 HydrophobicContact CD1-CD2 4.05Å; L85-F108 HydrophobicContact CD1-CG 4.3Å; L85-F108 HydrophobicContact CD2-CB 4.14Å; L85-F108 HydrophobicContact CD2-CD1 3.86Å; L85-F108 HydrophobicContact CD2-CD2 4.26Å; L85-F108 HydrophobicContact CD2-CE1 4.32Å; L85-F108 HydrophobicContact CD2-CG 3.83Å; L85-F108 HydrophobicContact CG-CD2 4.47Å; L85-I125 HydrophobicContact CD2-CD1 3.87Å; L85-T128 HydrophobicContact CB-CG2 3.61Å; L85-D136 HydrophobicContact CD1-CB 4.08Å; L85-M139 HydrophobicContact CD1-CB 4.14Å; L85-M139 HydrophobicContact CG-CB 4.11Å; L85-M139 PolarHBondContact N-O 2.74Å
86	K	95.7	Very high	94.6	Very high	115 Å²	115	50.4 Å²	50.4	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-67.3	-40.7	176.4	-176	175.7	178.1	-175.9	0	113	T84 T89 S90 D137	T84-K86 PolarHBondContact O-N 2.76Å; K86-T89 PolarHBondContact O-N 3.23Å; K86-S90 PolarHBondContact O-N 2.78Å; K86-S90 VanDerWaalsContact O-N 3.08Å; K86-S90 PolarHBondContact O-OG 2.81Å; K86-D137 HydrophobicContact CB-CB 4.1Å; K86-D137 VanDerWaalsContact CB-O 3.3Å; K86-D137 WeakPolarHBondContact CB-O 3.41Å; K86-D137 HydrophobicContact CD-CB 4.32Å; K86-D137 PolarHBondContact N-O 2.78Å
87	E	95.8	Very high	94.3	Very high	56 Å²	56	48.9 Å²	48.9	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-60.8	-50.5	175	-175.4	175.5	-174.6	0	0	110.3	R41 T84 T89 S90 L91	R41-E87 IonicContact CZ-OE1 3.74Å; R41-E87 IonicContact CZ-OE2 2.84Å; R41-E87 IonicContact NH1-OE1 2.74Å; R41-E87 PolarHBondContact NH1-OE1 3.24Å; R41-E87 IonicContact NH1-OE2 3.62Å; R41-E87 IonicContact NH2-OE1 2.69Å; R41-E87 IonicContact NH2-OE2 3.91Å; R41-E87 PolarHBondContact NH2-OE2 3.41Å; T84-E87 WeakPolarHBondContact O-CB 3.47Å; T84-E87 PolarHBondContact O-N 2.8Å; T84-E87 VanDerWaalsContact O-N 3.08Å; T84-E87 WeakPolarHBondContact OG1-CB 3.34Å; T84-E87 PolarHBondContact OG1-N 2.99Å; E87-T89 VanDerWaalsContact C-N 3.34Å; E87-T89 PolarHBondContact O-N 2.83Å; E87-S90 WeakPolarHBondContact O-CB 3.22Å; E87-S90 PolarHBondContact O-N 2.82Å; E87-L91 PolarHBondContact O-N 3.08Å
88	L	96.1	Very high	94	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-41.7	176.9	-62.7	172.8	0	0	0	112.3	L49 I77 T84 S90 L91 V92 F108 L141 L152	L49-L88 HydrophobicContact CD2-CD1 4.36Å; L49-L88 HydrophobicContact CD2-CD2 3.6Å; I77-L88 HydrophobicContact CD1-CD2 4.3Å; T84-L88 WeakPolarHBondContact O-CG 3.45Å; T84-L88 PolarHBondContact O-N 3.24Å; L88-S90 PolarHBondContact O-N 3.04Å; L88-L91 PolarHBondContact O-N 3.16Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.94Å; L88-F108 HydrophobicContact CB-CE1 4.06Å; L88-L141 HydrophobicContact CD1-CD2 4.09Å; L88-L141 HydrophobicContact CD1-CG 4.45Å; L88-L152 HydrophobicContact CD1-CD2 3.7Å
89	T	95.3	Very high	93.7	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-35.9	174.6	-54.3	0	0	0	0	111.7	L85 K86 E87 K93 F106 F108 T128	L85-T89 WeakPolarHBondContact O-CB 3.46Å; L85-T89 PolarHBondContact O-N 3.48Å; L85-T89 PolarHBondContact O-OG1 2.85Å; K86-T89 PolarHBondContact O-N 3.23Å; E87-T89 VanDerWaalsContact C-N 3.34Å; E87-T89 PolarHBondContact O-N 2.83Å; T89-K93 HydrophobicContact CG2-CD 4.28Å; T89-K93 WeakPolarHBondContact O-CD 3.45Å; T89-K93 VanDerWaalsContact O-CG 3.28Å; T89-K93 WeakPolarHBondContact O-CG 3.15Å; T89-K93 PolarHBondContact O-N 3.28Å; T89-K93 VanDerWaalsContact O-N 3.15Å; T89-F106 HydrophobicContact CG2-CD1 4.2Å; T89-F106 HydrophobicContact CG2-CD2 3.64Å; T89-F106 HydrophobicContact CG2-CE1 4.13Å; T89-F106 HydrophobicContact CG2-CE2 3.6Å; T89-F106 HydrophobicContact CG2-CG 3.96Å; T89-F106 HydrophobicContact CG2-CZ 3.84Å; T89-F108 VanDerWaalsContact OG1-CZ 3.3Å; T89-F108 WeakPolarHBondContact OG1-CZ 3.45Å; T89-T128 PolarHBondContact OG1-OG1 2.62Å
90	S	94.8	Very high	93.5	Very high	51 Å²	51	55 Å²	55	36%	0.357	27%	0.268	S	S	.	.	H	α-helix	trans	-71	-41.2	-177.1	-55.9	0	0	0	0	110.6	K86 E87 L88 K93 E94	K86-S90 PolarHBondContact O-N 2.78Å; K86-S90 VanDerWaalsContact O-N 3.08Å; K86-S90 PolarHBondContact O-OG 2.81Å; E87-S90 WeakPolarHBondContact O-CB 3.22Å; E87-S90 PolarHBondContact O-N 2.82Å; L88-S90 PolarHBondContact O-N 3.04Å; S90-K93 WeakPolarHBondContact O-CB 3.31Å; S90-K93 PolarHBondContact O-N 3.36Å; S90-E94 PolarHBondContact O-N 2.85Å
91	L	94.6	Very high	93.3	Very high	50 Å²	50	59 Å²	59	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-42.9	173.8	-62.6	171.4	0	0	0	112.2	I77 E87 L88 K93 E94	I77-L91 HydrophobicContact CD1-CB 4.08Å; I77-L91 HydrophobicContact CD1-CD1 4.02Å; I77-L91 HydrophobicContact CG2-CD1 3.52Å; E87-L91 PolarHBondContact O-N 3.08Å; L88-L91 PolarHBondContact O-N 3.16Å; L91-K93 VanDerWaalsContact C-N 3.25Å; L91-K93 PolarHBondContact O-N 3.09Å; L91-E94 WeakPolarHBondContact O-CB 3.47Å; L91-E94 PolarHBondContact O-N 3.17Å; L91-E94 VanDerWaalsContact O-N 3.08Å
92	V	93.7	Very high	93.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-37.4	175.9	172.4	0	0	0	0	111.5	L75 L88 E94 V95 Y96 F106 I154 I156	L75-V92 HydrophobicContact CD2-CG2 4.24Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.94Å; V92-E94 VanDerWaalsContact C-N 3.27Å; V92-E94 PolarHBondContact O-N 3.25Å; V92-V95 PolarHBondContact O-N 2.96Å; V92-Y96 HydrophobicContact CG1-CD2 4.04Å; V92-Y96 PolarHBondContact O-N 3.1Å; V92-F106 HydrophobicContact CG1-CE1 4.03Å; V92-I154 HydrophobicContact CG2-CD1 3.76Å; V92-I156 HydrophobicContact CG1-CD1 3.94Å
93	K	93.6	Very high	93.1	Very high	44 Å²	44	64.3 Å²	64.3	19%	0.191	31%	0.311	C	S	.	.	H	α-helix	trans	-68.3	-23.2	177.5	-75.3	163.5	178.1	167.1	0	113.7	T89 S90 L91 V95 R100 F106 S130	T89-K93 HydrophobicContact CG2-CD 4.28Å; T89-K93 WeakPolarHBondContact O-CD 3.45Å; T89-K93 VanDerWaalsContact O-CG 3.28Å; T89-K93 WeakPolarHBondContact O-CG 3.15Å; T89-K93 PolarHBondContact O-N 3.28Å; T89-K93 VanDerWaalsContact O-N 3.15Å; S90-K93 WeakPolarHBondContact O-CB 3.31Å; S90-K93 PolarHBondContact O-N 3.36Å; L91-K93 VanDerWaalsContact C-N 3.25Å; L91-K93 PolarHBondContact O-N 3.09Å; K93-V95 VanDerWaalsContact C-N 3.35Å; K93-R100 HydrophobicContact CB-CG 3.87Å; K93-R100 HydrophobicContact CG-CG 4.02Å; K93-R100 VanDerWaalsContact O-CZ 3.28Å; K93-R100 PolarHBondContact O-NE 2.93Å; K93-R100 PolarHBondContact O-NH2 2.97Å; K93-F106 HydrophobicContact CG-CZ 4.25Å; K93-S130 WeakPolarHBondContact CE-OG 3.25Å; K93-S130 PolarHBondContact NZ-OG 3.23Å
94	E	92.8	Very high	93	Very high	133 Å²	133	64.4 Å²	64.4	62%	0.621	31%	0.312	S	S	*	.	H	α-helix	trans	-67.8	-41.4	175.5	-69.9	175.5	-170.4	0	0	110.5	S90 L91 V92	S90-E94 PolarHBondContact O-N 2.85Å; L91-E94 WeakPolarHBondContact O-CB 3.47Å; L91-E94 PolarHBondContact O-N 3.17Å; L91-E94 VanDerWaalsContact O-N 3.08Å; V92-E94 VanDerWaalsContact C-N 3.27Å; V92-E94 PolarHBondContact O-N 3.25Å
95	V	91.1	Very high	92.9	Very high	81 Å²	81	65 Å²	65	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-83.5	-38.6	-179.4	-176.3	0	0	0	0	112.5	L75 V92 K93 P97	L75-V95 HydrophobicContact CD1-CG2 3.87Å; L75-V95 HydrophobicContact CD2-CG2 4.38Å; V92-V95 PolarHBondContact O-N 2.96Å; K93-V95 VanDerWaalsContact C-N 3.35Å; V95-P97 VanDerWaalsContact O-CD 3.25Å; V95-P97 WeakPolarHBondContact O-CD 3.32Å
96	Y	89.6	Confident	92.8	Very high	76 Å²	76	65 Å²	65	30%	0.298	31%	0.312	S	S	.	.			trans	-112.4	88	-178.1	-63.8	-84.1	0	0	0	111.1	T53 V92 E98 A99	T53-Y96 HydrophobicContact CG2-CE2 4.25Å; T53-Y96 PolarHBondContact OG1-OH 3.41Å; V92-Y96 HydrophobicContact CG1-CD2 4.04Å; V92-Y96 PolarHBondContact O-N 3.1Å; Y96-E98 VanDerWaalsContact C-N 3.27Å; Y96-E98 PolarHBondContact O-N 3.18Å; Y96-A99 VanDerWaalsContact O-CB 3.31Å; Y96-A99 WeakPolarHBondContact O-CB 3.3Å; Y96-A99 PolarHBondContact O-N 2.7Å
97	P	89.3	Confident	92.8	Very high	78 Å²	78	61.8 Å²	61.8	51%	0.506	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-62.5	-31.9	-175.7	23.5	-33.6	0	0	0	113.3	V95 A99 R100	V95-P97 VanDerWaalsContact O-CD 3.25Å; V95-P97 WeakPolarHBondContact O-CD 3.32Å; P97-A99 PolarHBondContact O-N 2.66Å; P97-A99 VanDerWaalsContact O-N 3.16Å; P97-R100 VanDerWaalsContact O-CB 3.23Å; P97-R100 WeakPolarHBondContact O-CB 3.49Å; P97-R100 WeakPolarHBondContact O-CG 3.24Å; P97-R100 PolarHBondContact O-N 2.88Å
98	E	87.3	Confident	92.9	Very high	161 Å²	161	59.1 Å²	59.1	75%	0.752	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-57	-29.7	175	-66.7	-57.5	131.4	0	0	112.7	Y96 R100 K101	Y96-E98 VanDerWaalsContact C-N 3.27Å; Y96-E98 PolarHBondContact O-N 3.18Å; E98-R100 PolarHBondContact O-N 3.36Å; E98-K101 PolarHBondContact O-N 3.16Å
99	A	89.3	Confident	92.9	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.033	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-73.3	-12	-179.8	0	0	0	0	0	112.9	Y96 P97 K101 T104 F106 S130 I156	Y96-A99 VanDerWaalsContact O-CB 3.31Å; Y96-A99 WeakPolarHBondContact O-CB 3.3Å; Y96-A99 PolarHBondContact O-N 2.7Å; P97-A99 PolarHBondContact O-N 2.66Å; P97-A99 VanDerWaalsContact O-N 3.16Å; A99-K101 VanDerWaalsContact C-N 3.27Å; A99-K101 PolarHBondContact O-N 3.11Å; A99-T104 HydrophobicContact CB-CG2 4.43Å; A99-T104 WeakPolarHBondContact O-CB 3.12Å; A99-F106 HydrophobicContact CB-CE1 3.71Å; A99-F106 HydrophobicContact CB-CZ 3.6Å; A99-F106 WeakPolarHBondContact O-CZ 3.18Å; A99-S130 PolarHBondContact O-OG 3.17Å; A99-I156 HydrophobicContact CB-CD1 4.45Å; A99-I156 HydrophobicContact CB-CG2 4.19Å
100	R	91.8	Very high	92.9	Very high	141 Å²	141	59.1 Å²	59.1	53%	0.532	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-72.3	-19	177.1	-62.7	177.7	-172.5	179.8	5.2	113.3	K93 P97 E98 K102	K93-R100 HydrophobicContact CB-CG 3.87Å; K93-R100 HydrophobicContact CG-CG 4.02Å; K93-R100 VanDerWaalsContact O-CZ 3.28Å; K93-R100 PolarHBondContact O-NE 2.93Å; K93-R100 PolarHBondContact O-NH2 2.97Å; P97-R100 VanDerWaalsContact O-CB 3.23Å; P97-R100 WeakPolarHBondContact O-CB 3.49Å; P97-R100 WeakPolarHBondContact O-CG 3.24Å; P97-R100 PolarHBondContact O-N 2.88Å; E98-R100 PolarHBondContact O-N 3.36Å; R100-K102 PolarHBondContact O-N 3.42Å
101	K	92.6	Very high	92.9	Very high	136 Å²	136	56.7 Å²	56.7	59%	0.591	27%	0.271	S	S	*	.	S	Bend	trans	-53.7	131.1	-178.6	-168	173.6	-179.2	170.1	0	110.3	E98 A99 G103 T104 S130 P159	E98-K101 PolarHBondContact O-N 3.16Å; A99-K101 VanDerWaalsContact C-N 3.27Å; A99-K101 PolarHBondContact O-N 3.11Å; K101-G103 PolarHBondContact O-N 2.79Å; K101-T104 WeakPolarHBondContact O-CB 3.49Å; K101-T104 PolarHBondContact O-N 2.97Å; K101-T104 PolarHBondContact O-OG1 2.88Å; K101-S130 WeakPolarHBondContact O-CB 3.41Å; K101-P159 HydrophobicContact CD-CG 3.78Å; K101-P159 HydrophobicContact CG-CG 3.98Å
102	K	92.6	Very high	92.8	Very high	168 Å²	168	56.7 Å²	56.7	73%	0.73	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	131.5	-179.8	-173	176.2	179.8	-179.2	0	109.8	R100	R100-K102 PolarHBondContact O-N 3.42Å
103	G	90.4	Very high	92.6	Very high	15 Å²	15	60.5 Å²	60.5	16%	0.155	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	2.2	-176.4	0	0	0	0	0	115.1	K101 H105 S130 P159	K101-G103 PolarHBondContact O-N 2.79Å; G103-H105 PolarHBondContact O-CD2 2.78Å; G103-H105 VanDerWaalsContact O-CD2 3.29Å; G103-H105 PolarHBondContact O-N 2.97Å; G103-S130 PolarHBondContact N-O 3.08Å; G103-P159 WeakPolarHBondContact O-CA 3.3Å
104	T	93.2	Very high	92	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	29%	0.291	C	S	.	.			trans	-63.5	128.9	166.3	-61.6	0	0	0	0	109.6	A99 K101 F106 M129 S130 I156 T157 P159	A99-T104 HydrophobicContact CB-CG2 4.43Å; A99-T104 WeakPolarHBondContact O-CB 3.12Å; K101-T104 WeakPolarHBondContact O-CB 3.49Å; K101-T104 PolarHBondContact O-N 2.97Å; K101-T104 PolarHBondContact O-OG1 2.88Å; T104-F106 HydrophobicContact CG2-CE2 3.92Å; T104-F106 HydrophobicContact CG2-CZ 3.97Å; T104-M129 CarbonylContact O-C 3.53Å; T104-M129 VanDerWaalsContact O-CA 3.32Å; T104-M129 WeakPolarHBondContact O-CA 3.35Å; T104-S130 PolarHBondContact O-N 2.81Å; T104-I156 HydrophobicContact CG2-CG2 3.52Å; T104-T157 CarbonylContact C-O 3.49Å; T104-T157 WeakPolarHBondContact CA-O 3.48Å; T104-P159 WeakPolarHBondContact OG1-CD 3.39Å
105	H	94	Very high	91.4	Very high	52 Å²	52	60.6 Å²	60.6	24%	0.241	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	143	175.3	-77.4	-107.4	0	0	0	111.1	G103 M129 I156 T157 A162	G103-H105 PolarHBondContact O-CD2 2.78Å; G103-H105 VanDerWaalsContact O-CD2 3.29Å; G103-H105 PolarHBondContact O-N 2.97Å; H105-M129 WeakPolarHBondContact CE1-CE 3.48Å; H105-M129 WeakPolarHBondContact NE2-CE 3.45Å; H105-I156 WeakPolarHBondContact O-CA 3.44Å; H105-T157 PolarHBondContact N-O 3Å; H105-T157 PolarHBondContact O-N 3.27Å; H105-A162 WeakPolarHBondContact CD2-CB 3.11Å
106	F	95.4	Very high	91	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.2	172	-56.2	-101.1	0	0	0	106.9	T89 V92 K93 A99 T104 F108 S127 T128 S130 I154 I156	T89-F106 HydrophobicContact CG2-CD1 4.2Å; T89-F106 HydrophobicContact CG2-CD2 3.64Å; T89-F106 HydrophobicContact CG2-CE1 4.13Å; T89-F106 HydrophobicContact CG2-CE2 3.6Å; T89-F106 HydrophobicContact CG2-CG 3.96Å; T89-F106 HydrophobicContact CG2-CZ 3.84Å; V92-F106 HydrophobicContact CG1-CE1 4.03Å; K93-F106 HydrophobicContact CG-CZ 4.25Å; A99-F106 HydrophobicContact CB-CE1 3.71Å; A99-F106 HydrophobicContact CB-CZ 3.6Å; A99-F106 WeakPolarHBondContact O-CZ 3.18Å; T104-F106 HydrophobicContact CG2-CE2 3.92Å; T104-F106 HydrophobicContact CG2-CZ 3.97Å; F106-F108 HydrophobicContact CB-CD2 4.37Å; F106-F108 HydrophobicContact CB-CE2 3.6Å; F106-F108 HydrophobicContact CB-CZ 4.08Å; F106-S127 CarbonylContact O-C 3.33Å; F106-S127 WeakPolarHBondContact O-CA 3.41Å; F106-S127 VanDerWaalsContact O-CB 3.3Å; F106-S127 WeakPolarHBondContact O-CB 3.45Å; F106-T128 PolarHBondContact N-O 2.68Å; F106-T128 PolarHBondContact O-N 2.74Å; F106-S130 WeakPolarHBondContact CE2-OG 3.15Å; F106-I154 HydrophobicContact CB-CG2 4.02Å; F106-I154 HydrophobicContact CD1-CG2 4.03Å; F106-I156 HydrophobicContact CD1-CD1 4.38Å; F106-I156 HydrophobicContact CD1-CG1 3.95Å; F106-I156 HydrophobicContact CD1-CG2 4.45Å; F106-I156 HydrophobicContact CE1-CD1 4.2Å; F106-I156 HydrophobicContact CE1-CG1 4.18Å; F106-I156 HydrophobicContact CE1-CG2 4.23Å
107	N	96.1	Very high	90.5	Very high	46 Å²	46	71.2 Å²	71.2	25%	0.246	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.2	168.9	-168.5	-12.9	0	0	0	108.1	H59 E124 G126 I154 A155	H59-N107 PolarHBondContact CE1-O 2.97Å; H59-N107 VanDerWaalsContact CE1-O 3.23Å; H59-N107 VanDerWaalsContact NE2-CG 3.32Å; H59-N107 PolarHBondContact NE2-OD1 2.9Å; N107-E124 PolarHBondContact ND2-OE2 2.74Å; N107-G126 PolarHBondContact OD1-O 2.88Å; N107-I154 CarbonylContact O-C 3.58Å; N107-I154 VanDerWaalsContact O-CA 3.28Å; N107-I154 WeakPolarHBondContact O-CA 3.4Å; N107-A155 HydrophobicContact CB-CB 4.33Å; N107-A155 PolarHBondContact N-O 3.16Å; N107-A155 PolarHBondContact O-N 2.8Å
108	F	97	Very high	90.1	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.8	-177.2	-67.9	-100.3	0	0	0	109.9	L85 L88 T89 F106 I125 G126 T128 L152 I154	L85-F108 HydrophobicContact CB-CD2 4.38Å; L85-F108 HydrophobicContact CB-CE2 4.19Å; L85-F108 HydrophobicContact CB-CZ 4.34Å; L85-F108 HydrophobicContact CD1-CB 4.47Å; L85-F108 HydrophobicContact CD1-CD2 4.05Å; L85-F108 HydrophobicContact CD1-CG 4.3Å; L85-F108 HydrophobicContact CD2-CB 4.14Å; L85-F108 HydrophobicContact CD2-CD1 3.86Å; L85-F108 HydrophobicContact CD2-CD2 4.26Å; L85-F108 HydrophobicContact CD2-CE1 4.32Å; L85-F108 HydrophobicContact CD2-CG 3.83Å; L85-F108 HydrophobicContact CG-CD2 4.47Å; L88-F108 HydrophobicContact CB-CE1 4.06Å; T89-F108 VanDerWaalsContact OG1-CZ 3.3Å; T89-F108 WeakPolarHBondContact OG1-CZ 3.45Å; F106-F108 HydrophobicContact CB-CD2 4.37Å; F106-F108 HydrophobicContact CB-CE2 3.6Å; F106-F108 HydrophobicContact CB-CZ 4.08Å; F108-I125 HydrophobicContact CB-CD1 3.98Å; F108-I125 HydrophobicContact CB-CG1 3.65Å; F108-I125 VanDerWaalsContact O-CG1 3.25Å; F108-I125 WeakPolarHBondContact O-CG1 3.36Å; F108-I125 PolarHBondContact O-N 2.94Å; F108-G126 WeakPolarHBondContact CB-O 3.32Å; F108-G126 PolarHBondContact N-O 2.8Å; F108-T128 HydrophobicContact CE2-CG2 3.84Å; F108-L152 HydrophobicContact CD1-CD1 4.48Å; F108-L152 HydrophobicContact CD1-CD2 4.13Å; F108-L152 HydrophobicContact CE1-CD2 4.49Å; F108-I154 HydrophobicContact CD1-CD1 3.86Å; F108-I154 HydrophobicContact CD1-CG1 3.73Å; F108-I154 HydrophobicContact CE1-CD1 3.42Å; F108-I154 VanDerWaalsContact CE1-CD1 3.42Å; F108-I154 HydrophobicContact CE1-CG1 3.8Å; F108-I154 HydrophobicContact CE1-CG2 4.4Å; F108-I154 HydrophobicContact CZ-CD1 4.21Å; F108-I154 HydrophobicContact CZ-CG2 4.44Å
109	A	96.7	Very high	89.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.7	173	0	0	0	0	0	111.6	H59 V122 K123 E124 D153	H59-A109 VanDerWaalsContact CE1-CB 3.46Å; H59-A109 WeakPolarHBondContact CE1-CB 3.47Å; A109-V122 HydrophobicContact CB-CG1 3.5Å; A109-V122 VanDerWaalsContact CB-CG1 3.5Å; A109-K123 CarbonylContact C-O 3.48Å; A109-K123 VanDerWaalsContact CA-O 3.23Å; A109-K123 WeakPolarHBondContact CA-O 3.41Å; A109-K123 WeakPolarHBondContact CB-O 3.41Å; A109-E124 HydrophobicContact CB-CG 4.14Å; A109-D153 PolarHBondContact N-O 2.77Å; A109-D153 PolarHBondContact O-N 3.29Å
110	I	96.1	Very high	89.8	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.8	173.1	-61.9	174.6	0	0	0	107.7	F112 V122 K123 I125 Q144 F146 D150 Y151 L152	I110-F112 HydrophobicContact CG2-CB 4.37Å; I110-F112 HydrophobicContact CG2-CD1 4.28Å; I110-V122 WeakPolarHBondContact O-CA 3.19Å; I110-K123 PolarHBondContact N-O 2.93Å; I110-K123 PolarHBondContact O-N 3.08Å; I110-I125 HydrophobicContact CD1-CD1 4.28Å; I110-I125 HydrophobicContact CD1-CG2 3.75Å; I110-I125 HydrophobicContact CG1-CD1 4.03Å; I110-I125 HydrophobicContact CG1-CG2 3.83Å; I110-Q144 HydrophobicContact CD1-CB 3.9Å; I110-F146 HydrophobicContact CD1-CB 3.95Å; I110-F146 HydrophobicContact CD1-CD2 4.1Å; I110-F146 HydrophobicContact CG1-CD2 4.24Å; I110-F146 HydrophobicContact CG2-CD2 4.14Å; I110-D150 HydrophobicContact CG2-CB 3.84Å; I110-Y151 WeakPolarHBondContact CA-O 3.28Å; I110-L152 HydrophobicContact CG1-CD1 4.34Å
111	V	94.3	Very high	89.7	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.2	169.3	-161	0	0	0	0	107.6	F65 Y120 R121 V122 D150 Y151 D153	F65-V111 HydrophobicContact CD1-CG1 4.49Å; F65-V111 HydrophobicContact CD2-CG1 3.97Å; F65-V111 HydrophobicContact CE1-CG2 4.46Å; F65-V111 HydrophobicContact CE2-CG1 4.12Å; F65-V111 HydrophobicContact CE2-CG2 4.1Å; F65-V111 HydrophobicContact CG-CG1 4.16Å; F65-V111 HydrophobicContact CZ-CG1 4.47Å; F65-V111 HydrophobicContact CZ-CG2 3.94Å; V111-Y120 HydrophobicContact CG1-CD1 3.79Å; V111-Y120 HydrophobicContact CG1-CG 4.24Å; V111-R121 CarbonylContact C-O 3.59Å; V111-R121 VanDerWaalsContact CA-O 3.3Å; V111-R121 WeakPolarHBondContact CA-O 3.44Å; V111-V122 HydrophobicContact CB-CG2 4.06Å; V111-V122 HydrophobicContact CG1-CG2 3.85Å; V111-V122 HydrophobicContact CG2-CG2 3.76Å; V111-D150 WeakPolarHBondContact O-CA 3.17Å; V111-Y151 HydrophobicContact CB-CD2 4.35Å; V111-Y151 PolarHBondContact N-O 3.04Å; V111-Y151 PolarHBondContact O-N 2.6Å; V111-D153 HydrophobicContact CG2-CB 3.77Å
112	F	92.3	Very high	89.7	Confident	49 Å²	49	65.7 Å²	65.7	22%	0.215	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.8	-177.4	63.9	-81.3	0	0	0	110.5	I110 Y120 R121 K123 D150	I110-F112 HydrophobicContact CG2-CB 4.37Å; I110-F112 HydrophobicContact CG2-CD1 4.28Å; F112-Y120 CarbonylContact O-C 3.57Å; F112-Y120 WeakPolarHBondContact O-CA 3.3Å; F112-R121 HydrophobicContact CD1-CB 4.48Å; F112-R121 WeakPolarHBondContact CD1-O 3.4Å; F112-R121 HydrophobicContact CE1-CB 3.98Å; F112-R121 HydrophobicContact CE2-CB 4.05Å; F112-R121 HydrophobicContact CZ-CB 3.75Å; F112-R121 PolarHBondContact N-O 2.99Å; F112-R121 PolarHBondContact O-N 3.18Å; F112-K123 HydrophobicContact CE1-CB 3.78Å; F112-D150 HydrophobicContact CB-CB 4.43Å; F112-D150 WeakPolarHBondContact CB-OD1 3.35Å
113	T	89.4	Confident	89.8	Confident	80 Å²	80	61.5 Å²	61.5	49%	0.491	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.7	174.4	62	0	0	0	0	110.1	Y120	T113-Y120 HydrophobicContact CG2-CD1 3.75Å; T113-Y120 HydrophobicContact CG2-CE1 3.47Å; T113-Y120 VanDerWaalsContact CG2-CE1 3.47Å; T113-Y120 HydrophobicContact CG2-CE2 4.25Å; T113-Y120 HydrophobicContact CG2-CG 4.29Å
114	D	81.6	Confident	90	Very high	32 Å²	32	66.7 Å²	66.7	17%	0.171	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.3	175.2	-162.3	-32.4	0	0	0	109.7	K116 R117 G119 R121	D114-K116 PolarHBondContact O-N 2.86Å; D114-K116 WeakPolarHBondContact OD1-CB 3.28Å; D114-K116 PolarHBondContact OD1-N 3.37Å; D114-R117 HydrophobicContact CB-CB 4.26Å; D114-R117 CarbonylContact O-C 3.56Å; D114-R117 PolarHBondContact O-N 3.43Å; D114-G119 PolarHBondContact N-O 3.03Å; D114-R121 HydrophobicContact CB-CG 4.33Å; D114-R121 VanDerWaalsContact OD2-CD 3.29Å; D114-R121 WeakPolarHBondContact OD2-CD 3.36Å; D114-R121 IonicContact OD2-CZ 2.85Å; D114-R121 IonicContact OD2-NE 3.16Å; D114-R121 IonicContact OD2-NH1 3.41Å; D114-R121 PolarHBondContact OD2-NH1 2.95Å
115	V	79.4	Confident	90.1	Very high	148 Å²	148	67.2 Å²	67.2	90%	0.897	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.7	176.4	-174.2	0	0	0	0	111.2
116	K	83.4	Confident	90.2	Very high	190 Å²	190	65.2 Å²	65.2	83%	0.826	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-19.8	-176.7	-61.2	-177.7	-179.5	-178.7	0	113.6	D114	D114-K116 PolarHBondContact O-N 2.86Å; D114-K116 WeakPolarHBondContact OD1-CB 3.28Å; D114-K116 PolarHBondContact OD1-N 3.37Å
117	R	78.8	Confident	90.2	Very high	189 Å²	189	67.6 Å²	67.6	71%	0.713	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	128.3	-174.1	-66.4	-175.2	-178.6	-177	1.1	110	D114 G119	D114-R117 HydrophobicContact CB-CB 4.26Å; D114-R117 CarbonylContact O-C 3.56Å; D114-R117 PolarHBondContact O-N 3.43Å; R117-G119 PolarHBondContact O-N 2.88Å
118	P	80.2	Confident	90.1	Very high	141 Å²	141	65.7 Å²	65.7	92%	0.916	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	128.5	176.9	26.8	-33.4	0	0	0	110
119	G	83.3	Confident	90	Very high	38 Å²	38	67.6 Å²	67.6	39%	0.392	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.8	172.7	176.1	0	0	0	0	0	114	D114 R117	D114-G119 PolarHBondContact N-O 3.03Å; R117-G119 PolarHBondContact O-N 2.88Å
120	Y	88.2	Confident	89.9	Confident	54 Å²	54	67.6 Å²	67.6	21%	0.212	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147.8	175	-73.2	-91.8	0	0	0	110.9	M62 F65 V111 F112 T113 Y151	M62-Y120 WeakPolarHBondContact CG-O 3.48Å; F65-Y120 HydrophobicContact CB-CD1 4.27Å; F65-Y120 HydrophobicContact CB-CD2 3.66Å; F65-Y120 HydrophobicContact CB-CE2 4.08Å; F65-Y120 HydrophobicContact CB-CG 3.76Å; F65-Y120 VanDerWaalsContact O-CD2 3.25Å; F65-Y120 WeakPolarHBondContact O-CD2 3.41Å; F65-Y120 WeakPolarHBondContact O-CE2 3.36Å; V111-Y120 HydrophobicContact CG1-CD1 3.79Å; V111-Y120 HydrophobicContact CG1-CG 4.24Å; F112-Y120 CarbonylContact O-C 3.57Å; F112-Y120 WeakPolarHBondContact O-CA 3.3Å; T113-Y120 HydrophobicContact CG2-CD1 3.75Å; T113-Y120 HydrophobicContact CG2-CE1 3.47Å; T113-Y120 VanDerWaalsContact CG2-CE1 3.47Å; T113-Y120 HydrophobicContact CG2-CE2 4.25Å; T113-Y120 HydrophobicContact CG2-CG 4.29Å; Y120-Y151 HydrophobicContact CD1-CD2 4.49Å; Y120-Y151 HydrophobicContact CD1-CE2 4.28Å; Y120-Y151 AromaticContact CE1-CD2 3.96Å; Y120-Y151 HydrophobicContact CE1-CD2 3.96Å; Y120-Y151 AromaticContact CE1-CE2 3.38Å; Y120-Y151 HydrophobicContact CE1-CE2 3.38Å; Y120-Y151 AromaticContact CZ-CE2 3.76Å; Y120-Y151 PolarHBondContact OH-OH 2.86Å; Y120-Y151 VanDerWaalsContact OH-OH 3.12Å
121	R	89.5	Confident	89.6	Confident	128 Å²	128	70.6 Å²	70.6	48%	0.483	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.9	173.7	-65.5	-177.6	64.4	-170.2	-6.7	108.6	V111 F112 D114	V111-R121 CarbonylContact C-O 3.59Å; V111-R121 VanDerWaalsContact CA-O 3.3Å; V111-R121 WeakPolarHBondContact CA-O 3.44Å; F112-R121 HydrophobicContact CD1-CB 4.48Å; F112-R121 WeakPolarHBondContact CD1-O 3.4Å; F112-R121 HydrophobicContact CE1-CB 3.98Å; F112-R121 HydrophobicContact CE2-CB 4.05Å; F112-R121 HydrophobicContact CZ-CB 3.75Å; F112-R121 PolarHBondContact N-O 2.99Å; F112-R121 PolarHBondContact O-N 3.18Å; D114-R121 HydrophobicContact CB-CG 4.33Å; D114-R121 VanDerWaalsContact OD2-CD 3.29Å; D114-R121 WeakPolarHBondContact OD2-CD 3.36Å; D114-R121 IonicContact OD2-CZ 2.85Å; D114-R121 IonicContact OD2-NE 3.16Å; D114-R121 IonicContact OD2-NH1 3.41Å; D114-R121 PolarHBondContact OD2-NH1 2.95Å
122	V	92.1	Very high	89.5	Confident	43 Å²	43	77.9 Å²	77.9	26%	0.261	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.5	173.4	166.5	0	0	0	0	110.4	M62 A109 I110 V111	M62-V122 HydrophobicContact CE-CB 3.42Å; M62-V122 VanDerWaalsContact CE-CB 3.42Å; M62-V122 HydrophobicContact CE-CG1 4.41Å; M62-V122 HydrophobicContact CE-CG2 3.18Å; M62-V122 HydrophobicContact SD-CB 3.84Å; M62-V122 HydrophobicContact SD-CG2 3.44Å; M62-V122 WeakPolarHBondContact SD-CG2 3.23Å; A109-V122 HydrophobicContact CB-CG1 3.5Å; A109-V122 VanDerWaalsContact CB-CG1 3.5Å; I110-V122 WeakPolarHBondContact O-CA 3.19Å; V111-V122 HydrophobicContact CB-CG2 4.06Å; V111-V122 HydrophobicContact CG1-CG2 3.85Å; V111-V122 HydrophobicContact CG2-CG2 3.76Å
123	K	94.2	Very high	89.5	Confident	81 Å²	81	84.1 Å²	84.1	35%	0.352	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.1	172.2	173	-169.8	170.1	-158.6	0	108	A109 I110 F112 I125 Q144	A109-K123 CarbonylContact C-O 3.48Å; A109-K123 VanDerWaalsContact CA-O 3.23Å; A109-K123 WeakPolarHBondContact CA-O 3.41Å; A109-K123 WeakPolarHBondContact CB-O 3.41Å; I110-K123 PolarHBondContact N-O 2.93Å; I110-K123 PolarHBondContact O-N 3.08Å; F112-K123 HydrophobicContact CE1-CB 3.78Å; K123-I125 HydrophobicContact CG-CG2 4.42Å; K123-Q144 PolarHBondContact NZ-O 3.2Å
124	E	95.1	Very high	89.6	Confident	123 Å²	123	81.8 Å²	81.8	58%	0.575	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.1	169.2	-64.4	-174.4	-163.7	0	0	109.9	H59 N107 A109	H59-E124 IonicContact CD2-OE1 2.66Å; N107-E124 PolarHBondContact ND2-OE2 2.74Å; A109-E124 HydrophobicContact CB-CG 4.14Å
125	I	95.4	Very high	90.1	Very high	13 Å²	13	86.1 Å²	86.1	7%	0.067	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-24	-173.8	57.3	164.6	0	0	0	113.9	L85 F108 I110 K123 Q144 L152	L85-I125 HydrophobicContact CD2-CD1 3.87Å; F108-I125 HydrophobicContact CB-CD1 3.98Å; F108-I125 HydrophobicContact CB-CG1 3.65Å; F108-I125 VanDerWaalsContact O-CG1 3.25Å; F108-I125 WeakPolarHBondContact O-CG1 3.36Å; F108-I125 PolarHBondContact O-N 2.94Å; I110-I125 HydrophobicContact CD1-CD1 4.28Å; I110-I125 HydrophobicContact CD1-CG2 3.75Å; I110-I125 HydrophobicContact CG1-CD1 4.03Å; I110-I125 HydrophobicContact CG1-CG2 3.83Å; K123-I125 HydrophobicContact CG-CG2 4.42Å; I125-Q144 HydrophobicContact CB-CB 4.28Å; I125-Q144 HydrophobicContact CB-CG 3.82Å; I125-Q144 HydrophobicContact CD1-CB 4.48Å; I125-Q144 HydrophobicContact CD1-CG 4.22Å; I125-Q144 HydrophobicContact CG2-CB 3.85Å; I125-Q144 HydrophobicContact CG2-CG 3.95Å; I125-L152 HydrophobicContact CD1-CD1 4.14Å
126	G	95.1	Very high	90.8	Very high	11 Å²	11	80.5 Å²	80.5	11%	0.113	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	178.9	179.4	0	0	0	0	0	112.7	N107 F108 D136	N107-G126 PolarHBondContact OD1-O 2.88Å; F108-G126 WeakPolarHBondContact CB-O 3.32Å; F108-G126 PolarHBondContact N-O 2.8Å; G126-D136 WeakPolarHBondContact CA-OD2 3.38Å
127	S	95.3	Very high	91.4	Very high	50 Å²	50	72.1 Å²	72.1	35%	0.35	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.6	-179	67.2	0	0	0	0	113.8	F106 D136	F106-S127 CarbonylContact O-C 3.33Å; F106-S127 WeakPolarHBondContact O-CA 3.41Å; F106-S127 VanDerWaalsContact O-CB 3.3Å; F106-S127 WeakPolarHBondContact O-CB 3.45Å; S127-D136 PolarHBondContact N-OD2 2.88Å; S127-D136 WeakPolarHBondContact O-CB 3.48Å
128	T	95.8	Very high	92.1	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.031	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	164.2	173.4	71.5	0	0	0	0	110.6	L85 T89 F106 F108	L85-T128 HydrophobicContact CB-CG2 3.61Å; T89-T128 PolarHBondContact OG1-OG1 2.62Å; F106-T128 PolarHBondContact N-O 2.68Å; F106-T128 PolarHBondContact O-N 2.74Å; F108-T128 HydrophobicContact CE2-CG2 3.84Å
129	M	94.9	Very high	92.8	Very high	40 Å²	40	63.4 Å²	63.4	20%	0.197	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.7	178.1	-173.2	-165.5	-74.6	0	0	111.6	T104 H105 G131 R132	T104-M129 CarbonylContact O-C 3.53Å; T104-M129 VanDerWaalsContact O-CA 3.32Å; T104-M129 WeakPolarHBondContact O-CA 3.35Å; H105-M129 WeakPolarHBondContact CE1-CE 3.48Å; H105-M129 WeakPolarHBondContact NE2-CE 3.45Å; M129-G131 PolarHBondContact O-N 3.15Å; M129-R132 HydrophobicContact CB-CB 4.24Å; M129-R132 HydrophobicContact CG-CB 4.24Å; M129-R132 PolarHBondContact O-N 2.8Å; M129-R132 HydrophobicContact SD-CB 3.61Å; M129-R132 VanDerWaalsContact SD-CD 3.53Å; M129-R132 HydrophobicContact SD-CG 4.19Å
130	S	93.6	Very high	93.4	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.007	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	121.2	172.6	-81.9	0	0	0	0	112	K93 A99 K101 G103 T104 F106 R132	K93-S130 WeakPolarHBondContact CE-OG 3.25Å; K93-S130 PolarHBondContact NZ-OG 3.23Å; A99-S130 PolarHBondContact O-OG 3.17Å; K101-S130 WeakPolarHBondContact O-CB 3.41Å; G103-S130 PolarHBondContact N-O 3.08Å; T104-S130 PolarHBondContact O-N 2.81Å; F106-S130 WeakPolarHBondContact CE2-OG 3.15Å; S130-R132 VanDerWaalsContact C-N 3.32Å
131	G	90.4	Very high	93.7	Very high	66 Å²	66	60 Å²	60	68%	0.68	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	14	175.7	0	0	0	0	0	114.8	M129	M129-G131 PolarHBondContact O-N 3.15Å
132	R	91	Very high	93.9	Very high	153 Å²	153	57.3 Å²	57.3	58%	0.577	32%	0.318	S	S	*	.	B	Isolated β-bridge	trans	-140.1	134.4	173.9	-175.4	-179.8	-178.6	176.6	-0.9	109.9	M129 S130	M129-R132 HydrophobicContact CB-CB 4.24Å; M129-R132 HydrophobicContact CG-CB 4.24Å; M129-R132 PolarHBondContact O-N 2.8Å; M129-R132 HydrophobicContact SD-CB 3.61Å; M129-R132 VanDerWaalsContact SD-CD 3.53Å; M129-R132 HydrophobicContact SD-CG 4.19Å; S130-R132 VanDerWaalsContact C-N 3.32Å
133	K	92.4	Very high	94	Very high	181 Å²	181	56.7 Å²	56.7	79%	0.787	32%	0.316	S	S	*	.			trans	-73.2	125.3	173.4	-169.8	177.5	179.7	-177.8	0	109.9	D137	K133-D137 WeakPolarHBondContact CA-OD2 3.48Å
134	G	91.4	Very high	94	Very high	30 Å²	30	54.7 Å²	54.7	31%	0.309	31%	0.307	S	S	.	.			trans	-98.2	168.8	175.1	0	0	0	0	0	112.8	D136 D137	G134-D136 VanDerWaalsContact C-N 3.32Å; G134-D137 WeakPolarHBondContact CA-OD1 3.36Å; G134-D137 PolarHBondContact N-OD1 3.03Å; G134-D137 VanDerWaalsContact N-OD1 3.15Å; G134-D137 PolarHBondContact N-OD2 3.36Å
135	T	92.4	Very high	93.9	Very high	124 Å²	124	56.8 Å²	56.8	76%	0.761	32%	0.315	S	S	*	.	S	Bend	trans	-71.8	-30.6	169.9	46.9	0	0	0	0	111.8	D137	T135-D137 VanDerWaalsContact C-N 3.35Å
136	D	95.3	Very high	93.9	Very high	29 Å²	29	56.6 Å²	56.6	16%	0.155	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-91.7	-3.6	-172	-46.7	-16.9	0	0	0	111.9	L85 G126 S127 G134 S138 M139	L85-D136 HydrophobicContact CD1-CB 4.08Å; G126-D136 WeakPolarHBondContact CA-OD2 3.38Å; S127-D136 PolarHBondContact N-OD2 2.88Å; S127-D136 WeakPolarHBondContact O-CB 3.48Å; G134-D136 VanDerWaalsContact C-N 3.32Å; D136-S138 PolarHBondContact O-N 3.01Å; D136-S138 VanDerWaalsContact O-N 3.09Å; D136-M139 HydrophobicContact CB-CE 3.81Å; D136-M139 HydrophobicContact CB-CG 4.21Å; D136-M139 HydrophobicContact CB-SD 3.77Å; D136-M139 WeakPolarHBondContact O-CB 3.33Å; D136-M139 PolarHBondContact O-N 3.35Å; D136-M139 WeakPolarHBondContact OD1-CE 3.45Å
137	D	94.4	Very high	93.8	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.08	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-53.6	-33.9	-178	-77.1	11.1	0	0	0	112.9	T84 K86 K133 G134 T135	T84-D137 WeakPolarHBondContact CB-O 3.2Å; K86-D137 HydrophobicContact CB-CB 4.1Å; K86-D137 VanDerWaalsContact CB-O 3.3Å; K86-D137 WeakPolarHBondContact CB-O 3.41Å; K86-D137 HydrophobicContact CD-CB 4.32Å; K86-D137 PolarHBondContact N-O 2.78Å; K133-D137 WeakPolarHBondContact CA-OD2 3.48Å; G134-D137 WeakPolarHBondContact CA-OD1 3.36Å; G134-D137 PolarHBondContact N-OD1 3.03Å; G134-D137 VanDerWaalsContact N-OD1 3.15Å; G134-D137 PolarHBondContact N-OD2 3.36Å; T135-D137 VanDerWaalsContact C-N 3.35Å
138	S	94.6	Very high	93.8	Very high	92 Å²	92	66.4 Å²	66.4	64%	0.643	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-95.6	2.8	-179.4	59.3	0	0	0	0	113.9	D136 T140	D136-S138 PolarHBondContact O-N 3.01Å; D136-S138 VanDerWaalsContact O-N 3.09Å; S138-T140 PolarHBondContact O-N 3.4Å
139	M	95	Very high	93.6	Very high	54 Å²	54	68.8 Å²	68.8	27%	0.266	38%	0.379	S	S	.	.			trans	-67.7	132.1	174.6	-69.2	-175.6	-172.2	0	0	109.8	T84 L85 D136	T84-M139 CarbonylContact C-O 3.55Å; T84-M139 VanDerWaalsContact CA-O 3.24Å; T84-M139 WeakPolarHBondContact CA-O 3.2Å; L85-M139 HydrophobicContact CD1-CB 4.14Å; L85-M139 HydrophobicContact CG-CB 4.11Å; L85-M139 PolarHBondContact N-O 2.74Å; D136-M139 HydrophobicContact CB-CE 3.81Å; D136-M139 HydrophobicContact CB-CG 4.21Å; D136-M139 HydrophobicContact CB-SD 3.77Å; D136-M139 WeakPolarHBondContact O-CB 3.33Å; D136-M139 PolarHBondContact O-N 3.35Å; D136-M139 WeakPolarHBondContact OD1-CE 3.45Å
140	T	95.8	Very high	93.5	Very high	22 Å²	22	68 Å²	68	14%	0.135	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-100.9	157.8	-179.2	62.7	0	0	0	0	111.6	E36 D82 A83 T84 S138 Q142 S143 Q144	E36-T140 PolarHBondContact OE2-OG1 2.89Å; D82-T140 VanDerWaalsContact O-CG2 3.32Å; D82-T140 WeakPolarHBondContact O-CG2 3.37Å; A83-T140 VanDerWaalsContact O-CA 3.27Å; A83-T140 WeakPolarHBondContact O-CA 3.42Å; T84-T140 HydrophobicContact CG2-CG2 4.13Å; S138-T140 PolarHBondContact O-N 3.4Å; T140-Q142 PolarHBondContact O-N 3.3Å; T140-S143 PolarHBondContact N-OG 2.85Å; T140-S143 PolarHBondContact O-N 3.26Å; T140-S143 PolarHBondContact O-OG 2.98Å; T140-S143 VanDerWaalsContact OG1-CB 3.27Å; T140-S143 WeakPolarHBondContact OG1-CB 3.28Å; T140-S143 PolarHBondContact OG1-N 3.28Å; T140-S143 PolarHBondContact OG1-OG 3.33Å; T140-Q144 PolarHBondContact O-N 3.28Å
141	L	94.9	Very high	93.6	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-41.5	171.8	-64.2	176.1	0	0	0	111.5	L49 T79 M81 A83 L88 S143 Q144 K145 F146 L152	L49-L141 HydrophobicContact CD1-CD1 4.39Å; L49-L141 HydrophobicContact CD2-CD1 4.11Å; T79-L141 HydrophobicContact CG2-CD1 4.31Å; M81-L141 WeakPolarHBondContact O-CB 3.34Å; M81-L141 PolarHBondContact O-N 3.34Å; A83-L141 HydrophobicContact CB-CD1 4.13Å; A83-L141 HydrophobicContact CB-CG 4.47Å; A83-L141 PolarHBondContact O-N 2.81Å; A83-L141 VanDerWaalsContact O-N 3.14Å; L88-L141 HydrophobicContact CD1-CD2 4.09Å; L88-L141 HydrophobicContact CD1-CG 4.45Å; L141-S143 PolarHBondContact O-N 2.83Å; L141-Q144 PolarHBondContact O-N 3.27Å; L141-K145 PolarHBondContact O-N 3.4Å; L141-F146 HydrophobicContact CB-CB 3.91Å; L141-F146 HydrophobicContact CB-CD1 4.32Å; L141-F146 HydrophobicContact CB-CG 4.19Å; L141-F146 HydrophobicContact CD1-CD1 4.47Å; L141-F146 HydrophobicContact CD2-CD2 4.41Å; L141-F146 HydrophobicContact CD2-CG 4.37Å; L141-F146 VanDerWaalsContact O-CB 3.24Å; L141-F146 WeakPolarHBondContact O-CB 3.32Å; L141-F146 PolarHBondContact O-N 3.26Å; L141-F146 VanDerWaalsContact O-N 3.14Å; L141-L152 HydrophobicContact CD2-CD1 4.42Å
142	Q	93.8	Very high	93.9	Very high	71 Å²	71	66.2 Å²	66.2	33%	0.332	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-45	176.9	-169.8	172.3	-0.2	0	0	112.1	E36 M81 T140 Q144 K145	E36-Q142 HydrophobicContact CG-CG 4.45Å; M81-Q142 HydrophobicContact CB-CB 4.07Å; M81-Q142 VanDerWaalsContact O-CB 3.3Å; M81-Q142 WeakPolarHBondContact O-CB 3.42Å; M81-Q142 PolarHBondContact O-N 3.01Å; T140-Q142 PolarHBondContact O-N 3.3Å; Q142-Q144 PolarHBondContact O-N 3.29Å; Q142-Q144 VanDerWaalsContact O-N 3.16Å; Q142-K145 PolarHBondContact O-N 2.82Å
143	S	93.3	Very high	94.1	Very high	30 Å²	30	59 Å²	59	21%	0.21	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.1	-179.1	75.3	0	0	0	0	113.2	E36 T140 L141	E36-S143 WeakPolarHBondContact OE1-CA 3.42Å; E36-S143 WeakPolarHBondContact OE2-CA 3.43Å; E36-S143 WeakPolarHBondContact OE2-CB 3.29Å; E36-S143 PolarHBondContact OE2-N 3.34Å; T140-S143 PolarHBondContact N-OG 2.85Å; T140-S143 PolarHBondContact O-N 3.26Å; T140-S143 PolarHBondContact O-OG 2.98Å; T140-S143 VanDerWaalsContact OG1-CB 3.27Å; T140-S143 WeakPolarHBondContact OG1-CB 3.28Å; T140-S143 PolarHBondContact OG1-N 3.28Å; T140-S143 PolarHBondContact OG1-OG 3.33Å; L141-S143 PolarHBondContact O-N 2.83Å
144	Q	94.4	Very high	94.3	Very high	38 Å²	38	50.3 Å²	50.3	18%	0.178	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.8	-178.9	-62.4	-58	-32.4	0	0	114.2	I110 K123 I125 T140 L141 Q142 F146	I110-Q144 HydrophobicContact CD1-CB 3.9Å; K123-Q144 PolarHBondContact NZ-O 3.2Å; I125-Q144 HydrophobicContact CB-CB 4.28Å; I125-Q144 HydrophobicContact CB-CG 3.82Å; I125-Q144 HydrophobicContact CD1-CB 4.48Å; I125-Q144 HydrophobicContact CD1-CG 4.22Å; I125-Q144 HydrophobicContact CG2-CB 3.85Å; I125-Q144 HydrophobicContact CG2-CG 3.95Å; T140-Q144 PolarHBondContact O-N 3.28Å; L141-Q144 PolarHBondContact O-N 3.27Å; Q142-Q144 PolarHBondContact O-N 3.29Å; Q142-Q144 VanDerWaalsContact O-N 3.16Å; Q144-F146 VanDerWaalsContact C-N 3.28Å
145	K	92.9	Very high	94.5	Very high	168 Å²	168	49 Å²	49	73%	0.73	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	34.3	-177.5	-49	-177.1	178.9	-179.4	0	112.9	L141 Q142	L141-K145 PolarHBondContact O-N 3.4Å; Q142-K145 PolarHBondContact O-N 2.82Å
146	F	94.9	Very high	94.5	Very high	8 Å²	8	44 Å²	44	4%	0.035	24%	0.238	C	C	.	.			trans	-56.5	143.4	169.1	-179.5	-96.5	0	0	0	110.1	L47 L49 M81 I110 L141 Q144 D150	L47-F146 HydrophobicContact CD1-CE1 4.34Å; L49-F146 HydrophobicContact CD1-CE1 4.11Å; L49-F146 HydrophobicContact CD1-CE2 3.74Å; L49-F146 HydrophobicContact CD1-CZ 3.38Å; M81-F146 HydrophobicContact CE-CB 4.4Å; M81-F146 HydrophobicContact CE-CD1 4.11Å; M81-F146 WeakPolarHBondContact CE-O 2.93Å; M81-F146 HydrophobicContact SD-CD1 3.92Å; I110-F146 HydrophobicContact CD1-CB 3.95Å; I110-F146 HydrophobicContact CD1-CD2 4.1Å; I110-F146 HydrophobicContact CG1-CD2 4.24Å; I110-F146 HydrophobicContact CG2-CD2 4.14Å; L141-F146 HydrophobicContact CB-CB 3.91Å; L141-F146 HydrophobicContact CB-CD1 4.32Å; L141-F146 HydrophobicContact CB-CG 4.19Å; L141-F146 HydrophobicContact CD1-CD1 4.47Å; L141-F146 HydrophobicContact CD2-CD2 4.41Å; L141-F146 HydrophobicContact CD2-CG 4.37Å; L141-F146 VanDerWaalsContact O-CB 3.24Å; L141-F146 WeakPolarHBondContact O-CB 3.32Å; L141-F146 PolarHBondContact O-N 3.26Å; L141-F146 VanDerWaalsContact O-N 3.14Å; Q144-F146 VanDerWaalsContact C-N 3.28Å; F146-D150 HydrophobicContact CD2-CB 3.85Å; F146-D150 HydrophobicContact CE2-CB 3.51Å; F146-D150 HydrophobicContact CZ-CB 4.08Å; F146-D150 WeakPolarHBondContact CZ-O 3.3Å
147	Q	94.6	Very high	94.5	Very high	133 Å²	133	43.5 Å²	43.5	62%	0.621	24%	0.236	S	C	*	.			trans	-123.4	149.4	173	-63.1	-177.4	38.4	0	0	110.4	G149 D150	Q147-G149 PolarHBondContact O-N 2.89Å; Q147-D150 PolarHBondContact N-OD2 3.26Å; Q147-D150 WeakPolarHBondContact O-CB 3.28Å; Q147-D150 PolarHBondContact O-N 3.4Å
148	I	93.3	Very high	94.2	Very high	134 Å²	134	45.3 Å²	45.3	69%	0.687	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	126.5	174.9	-59.8	172.4	0	0	0	108.3	L47	L47-I148 HydrophobicContact CB-CD1 4.46Å; L47-I148 HydrophobicContact CB-CG1 4.47Å; L47-I148 HydrophobicContact CD2-CG1 4.4Å
149	G	91.4	Very high	93.8	Very high	56 Å²	56	43 Å²	43	58%	0.577	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.3	-19.7	-172.6	0	0	0	0	0	113.3	Q147 Y151	Q147-G149 PolarHBondContact O-N 2.89Å; G149-Y151 WeakPolarHBondContact O-CE1 3.41Å
150	D	94.7	Very high	92.7	Very high	24 Å²	24	48.1 Å²	48.1	13%	0.128	26%	0.26	C	S	.	.			trans	-68.1	153.6	166.6	-63.6	-20	0	0	0	110.1	I110 V111 F112 F146 Q147	I110-D150 HydrophobicContact CG2-CB 3.84Å; V111-D150 WeakPolarHBondContact O-CA 3.17Å; F112-D150 HydrophobicContact CB-CB 4.43Å; F112-D150 WeakPolarHBondContact CB-OD1 3.35Å; F146-D150 HydrophobicContact CD2-CB 3.85Å; F146-D150 HydrophobicContact CE2-CB 3.51Å; F146-D150 HydrophobicContact CZ-CB 4.08Å; F146-D150 WeakPolarHBondContact CZ-O 3.3Å; Q147-D150 PolarHBondContact N-OD2 3.26Å; Q147-D150 WeakPolarHBondContact O-CB 3.28Å; Q147-D150 PolarHBondContact O-N 3.4Å
151	Y	95.1	Very high	91.3	Very high	29 Å²	29	56 Å²	56	11%	0.114	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.7	172.4	-45.2	-40.7	0	0	0	110.5	R50 F52 F65 V70 I110 V111 Y120 G149	R50-Y151 HydrophobicContact CB-CD1 4.23Å; F52-Y151 HydrophobicContact CD2-CG 4.4Å; F52-Y151 HydrophobicContact CE2-CD1 4.22Å; F52-Y151 HydrophobicContact CE2-CD2 4Å; F52-Y151 AromaticContact CE2-CG 3.72Å; F52-Y151 HydrophobicContact CE2-CG 3.72Å; F65-Y151 AromaticContact CD1-CD2 3.81Å; F65-Y151 HydrophobicContact CD1-CD2 3.81Å; F65-Y151 HydrophobicContact CD1-CE2 4.13Å; F65-Y151 HydrophobicContact CE1-CD2 4.03Å; V70-Y151 HydrophobicContact CG1-CE2 4.33Å; I110-Y151 WeakPolarHBondContact CA-O 3.28Å; V111-Y151 HydrophobicContact CB-CD2 4.35Å; V111-Y151 PolarHBondContact N-O 3.04Å; V111-Y151 PolarHBondContact O-N 2.6Å; Y120-Y151 HydrophobicContact CD1-CD2 4.49Å; Y120-Y151 HydrophobicContact CD1-CE2 4.28Å; Y120-Y151 AromaticContact CE1-CD2 3.96Å; Y120-Y151 HydrophobicContact CE1-CD2 3.96Å; Y120-Y151 AromaticContact CE1-CE2 3.38Å; Y120-Y151 HydrophobicContact CE1-CE2 3.38Å; Y120-Y151 AromaticContact CZ-CE2 3.76Å; Y120-Y151 PolarHBondContact OH-OH 2.86Å; Y120-Y151 VanDerWaalsContact OH-OH 3.12Å; G149-Y151 WeakPolarHBondContact O-CE1 3.41Å
152	L	96.5	Very high	89.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.3	169.5	-168.8	71.9	0	0	0	108.8	L49 R50 V51 F52 L88 F108 I110 I125 L141 I154	L49-L152 HydrophobicContact CD1-CB 4.14Å; L49-L152 HydrophobicContact CD2-CD2 4.09Å; R50-L152 PolarHBondContact O-N 3.21Å; V51-L152 CarbonylContact C-O 3.58Å; V51-L152 VanDerWaalsContact CA-O 3.28Å; V51-L152 WeakPolarHBondContact CA-O 3.06Å; V51-L152 HydrophobicContact CG1-CD2 4.36Å; V51-L152 HydrophobicContact CG2-CB 4.23Å; V51-L152 HydrophobicContact CG2-CD2 4.11Å; F52-L152 PolarHBondContact N-O 3.15Å; L88-L152 HydrophobicContact CD1-CD2 3.7Å; F108-L152 HydrophobicContact CD1-CD1 4.48Å; F108-L152 HydrophobicContact CD1-CD2 4.13Å; F108-L152 HydrophobicContact CE1-CD2 4.49Å; I110-L152 HydrophobicContact CG1-CD1 4.34Å; I125-L152 HydrophobicContact CD1-CD1 4.14Å; L141-L152 HydrophobicContact CD2-CD1 4.42Å; L152-I154 HydrophobicContact CD2-CD1 4.16Å; L152-I154 HydrophobicContact CD2-CG1 4.32Å; L152-I154 HydrophobicContact CG-CG1 4.32Å
153	D	95.8	Very high	88.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.4	175.1	-171.3	51.7	0	0	0	110	F52 H59 H60 A109 V111	F52-D153 CarbonylContact O-C 3.55Å; F52-D153 WeakPolarHBondContact O-CA 3.32Å; H59-D153 WeakPolarHBondContact CA-OD2 3.38Å; H59-D153 WeakPolarHBondContact CB-OD2 3.31Å; H59-D153 IonicContact CE1-OD2 3.98Å; H59-D153 IonicContact CG-OD2 3.36Å; H59-D153 IonicContact ND1-OD2 2.78Å; H59-D153 PolarHBondContact ND1-OD2 3.38Å; H60-D153 IonicContact CE1-OD1 3.59Å; H60-D153 IonicContact CG-OD1 3.68Å; H60-D153 PolarHBondContact N-OD2 3.08Å; H60-D153 IonicContact ND1-OD1 2.68Å; H60-D153 PolarHBondContact ND1-OD1 3.32Å; H60-D153 IonicContact ND1-OD2 3.96Å; A109-D153 PolarHBondContact N-O 2.77Å; A109-D153 PolarHBondContact O-N 3.29Å; V111-D153 HydrophobicContact CG2-CB 3.77Å
154	I	95.7	Very high	86.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	110.9	-176.3	-53	177.3	0	0	0	109.6	V51 F52 T53 T54 V92 F106 N107 F108 L152 I156	V51-I154 HydrophobicContact CG1-CD1 3.38Å; V51-I154 HydrophobicContact CG1-CG1 3.82Å; F52-I154 PolarHBondContact O-N 2.91Å; T53-I154 WeakPolarHBondContact CA-O 3.48Å; T53-I154 HydrophobicContact CG2-CB 4.35Å; T54-I154 PolarHBondContact N-O 3.24Å; V92-I154 HydrophobicContact CG2-CD1 3.76Å; F106-I154 HydrophobicContact CB-CG2 4.02Å; F106-I154 HydrophobicContact CD1-CG2 4.03Å; N107-I154 CarbonylContact O-C 3.58Å; N107-I154 VanDerWaalsContact O-CA 3.28Å; N107-I154 WeakPolarHBondContact O-CA 3.4Å; F108-I154 HydrophobicContact CD1-CD1 3.86Å; F108-I154 HydrophobicContact CD1-CG1 3.73Å; F108-I154 HydrophobicContact CE1-CD1 3.42Å; F108-I154 VanDerWaalsContact CE1-CD1 3.42Å; F108-I154 HydrophobicContact CE1-CG1 3.8Å; F108-I154 HydrophobicContact CE1-CG2 4.4Å; F108-I154 HydrophobicContact CZ-CD1 4.21Å; F108-I154 HydrophobicContact CZ-CG2 4.44Å; L152-I154 HydrophobicContact CD2-CD1 4.16Å; L152-I154 HydrophobicContact CD2-CG1 4.32Å; L152-I154 HydrophobicContact CG-CG1 4.32Å; I154-I156 HydrophobicContact CG2-CG1 4.18Å
155	A	94.9	Very high	84.7	Confident	2 Å²	2	65.7 Å²	65.7	2%	0.017	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.7	173.1	0	0	0	0	0	110.4	T54 N107	T54-A155 WeakPolarHBondContact OG1-CA 3.34Å; N107-A155 HydrophobicContact CB-CB 4.33Å; N107-A155 PolarHBondContact N-O 3.16Å; N107-A155 PolarHBondContact O-N 2.8Å
156	I	94.1	Very high	83.2	Confident	18 Å²	18	63.5 Å²	63.5	9%	0.092	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.7	-179.5	-51	178.1	0	0	0	108.7	T53 T54 N55 V92 A99 T104 H105 F106 I154	T53-I156 HydrophobicContact CG2-CD1 4.43Å; T54-I156 WeakPolarHBondContact O-CA 3.23Å; T54-I156 VanDerWaalsContact O-CB 3.28Å; T54-I156 WeakPolarHBondContact O-CB 3.5Å; T54-I156 PolarHBondContact O-N 3.42Å; N55-I156 CarbonylContact C-O 3.45Å; V92-I156 HydrophobicContact CG1-CD1 3.94Å; A99-I156 HydrophobicContact CB-CD1 4.45Å; A99-I156 HydrophobicContact CB-CG2 4.19Å; T104-I156 HydrophobicContact CG2-CG2 3.52Å; H105-I156 WeakPolarHBondContact O-CA 3.44Å; F106-I156 HydrophobicContact CD1-CD1 4.38Å; F106-I156 HydrophobicContact CD1-CG1 3.95Å; F106-I156 HydrophobicContact CD1-CG2 4.45Å; F106-I156 HydrophobicContact CE1-CD1 4.2Å; F106-I156 HydrophobicContact CE1-CG1 4.18Å; F106-I156 HydrophobicContact CE1-CG2 4.23Å; I154-I156 HydrophobicContact CG2-CG1 4.18Å
157	T	93.4	Very high	81.1	Confident	19 Å²	19	66.4 Å²	66.4	12%	0.117	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.9	177.3	-51.7	0	0	0	0	109.9	G57 T104 H105 R161	G57-T157 WeakPolarHBondContact CA-OG1 3.36Å; T104-T157 CarbonylContact C-O 3.49Å; T104-T157 WeakPolarHBondContact CA-O 3.48Å; H105-T157 PolarHBondContact N-O 3Å; H105-T157 PolarHBondContact O-N 3.27Å; T157-R161 HydrophobicContact CG2-CB 3.94Å
158	P	89.8	Confident	79.3	Confident	54 Å²	54	71.8 Å²	71.8	35%	0.351	41%	0.413	S	S	.	.			trans	-65.5	156.9	178.2	27.1	-33.4	0	0	0	111.3	N160 R161 A162	P158-N160 PolarHBondContact O-N 2.74Å; P158-R161 HydrophobicContact CG-CB 4.37Å; P158-R161 PolarHBondContact O-N 3.42Å; P158-A162 PolarHBondContact O-N 2.97Å
159	P	85.1	Confident	77.4	Confident	43 Å²	43	74 Å²	74	28%	0.279	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.9	-171.8	19.1	-32.8	0	0	0	114.7	K101 G103 T104 R161	K101-P159 HydrophobicContact CD-CG 3.78Å; K101-P159 HydrophobicContact CG-CG 3.98Å; G103-P159 WeakPolarHBondContact O-CA 3.3Å; T104-P159 WeakPolarHBondContact OG1-CD 3.39Å; P159-R161 VanDerWaalsContact C-N 3.27Å; P159-R161 PolarHBondContact O-N 3.42Å
160	N	71.6	Confident	75.6	Confident	161 Å²	161	82.2 Å²	82.2	86%	0.861	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.4	-178.1	-152.9	25	0	0	0	113.9	P158	P158-N160 PolarHBondContact O-N 2.74Å
161	R	66.9	Low	74.2	Confident	189 Å²	189	86.8 Å²	86.8	71%	0.713	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-0.6	176.2	-82.3	-174.3	-175.4	167.2	1.9	113	T157 P158 P159	T157-R161 HydrophobicContact CG2-CB 3.94Å; P158-R161 HydrophobicContact CG-CB 4.37Å; P158-R161 PolarHBondContact O-N 3.42Å; P159-R161 VanDerWaalsContact C-N 3.27Å; P159-R161 PolarHBondContact O-N 3.42Å
162	A	60.2	Low	72.6	Confident	24 Å²	24	100 Å²	100	20%	0.198	52%	0.52	C	S	.	.	S	Bend	trans	-64.3	133.7	177.2	0	0	0	0	0	109.4	H105 P158	H105-A162 WeakPolarHBondContact CD2-CB 3.11Å; P158-A162 PolarHBondContact O-N 2.97Å
163	P	61.7	Low	71.4	Confident	97 Å²	97	105.1 Å²	105.1	63%	0.63	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-54.8	140.1	171.5	-3.4	7.5	0	0	0	108.9
164	P	55.9	Low	70.1	Confident	113 Å²	113	110.6 Å²	110.6	73%	0.734	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-54.1	136.3	177.4	21.3	-30.6	0	0	0	108.8	S166	P164-S166 PolarHBondContact O-N 3.04Å; P164-S166 VanDerWaalsContact O-N 3.1Å
165	P	59.5	Low	68.7	Low	107 Å²	107	116.7 Å²	116.7	70%	0.695	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-55.6	125.9	174	23.4	-31.1	0	0	0	106.8	G167	P165-G167 VanDerWaalsContact C-N 3.27Å; P165-G167 PolarHBondContact O-N 3.05Å
166	S	61.6	Low	67.1	Low	123 Å²	123	123.5 Å²	123.5	86%	0.86	64%	0.641	S	S	*	*			trans	-54.5	94.3	177.7	50	0	0	0	0	108.8	P164 R168	P164-S166 PolarHBondContact O-N 3.04Å; P164-S166 VanDerWaalsContact O-N 3.1Å; S166-R168 PolarHBondContact O-N 2.98Å
167	G	51.1	Low	65.5	Low	68 Å²	68	130.1 Å²	130.1	70%	0.701	68%	0.675	S	S	*	*			trans	-66.5	125.3	-177.3	0	0	0	0	0	108.2	P165 M169	P165-G167 VanDerWaalsContact C-N 3.27Å; P165-G167 PolarHBondContact O-N 3.05Å; G167-M169 PolarHBondContact O-N 3.32Å
168	R	56.8	Low	63.6	Low	246 Å²	246	137.5 Å²	137.5	93%	0.928	71%	0.713	S	S	*	*			trans	-47.1	124.2	164.6	-75.9	177.8	174.5	172.2	-3.1	108.5	S166 R170	S166-R168 PolarHBondContact O-N 2.98Å; R168-R170 PolarHBondContact O-N 3.31Å; R168-R170 VanDerWaalsContact O-N 3.16Å
169	M	53	Low	61.7	Low	180 Å²	180	143.4 Å²	143.4	89%	0.887	74%	0.738	S	S	*	*			trans	-43.2	117.8	168.6	-165.8	89.1	81	0	0	109.2	G167 P171	G167-M169 PolarHBondContact O-N 3.32Å; M169-P171 WeakPolarHBondContact O-CD 3.25Å
170	R	53.6	Low	59.9	Low	229 Å²	229	151.2 Å²	151.2	86%	0.864	77%	0.774	S	S	*	*			trans	-74.2	123.1	167.2	-101.4	-177.9	170.3	-138.6	-0.5	107.4	R168	R168-R170 PolarHBondContact O-N 3.31Å; R168-R170 VanDerWaalsContact O-N 3.16Å
171	P	65.8	Low	59	Low	120 Å²	120	150.3 Å²	150.3	78%	0.779	77%	0.766	S	S	*	*			trans	-69	139.4	165.2	-8.2	25	0	0	0	108.9	M169	M169-P171 WeakPolarHBondContact O-CD 3.25Å
172	Y	61.3	Low	58.2	Low	308 Å²	308	146.8 Å²	146.8	100%	1.208	77%	0.771	S	S	*	*			trans	-68.4	0	167.7	-79.8	-87.9	0	0	0	111

Retrieved 172 of 172 residues in 438.1 ms (Link to these results)

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