A0A077YUL5_TRITR Loading...

Large ribosomal subunit protein mL43

AlphaFold DB , UniProt , Accession A0A077YUL5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 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	35.6	Very low	44.4	Very low	242 Å²	242	142.6 Å²	142.6	100%	1.192	68%	0.68	S	S	*	*				0	89.2	0	-76	171	126.9	0	0	109.7
2	T	41.2	Very low	44.9	Very low	103 Å²	103	145.8 Å²	145.8	63%	0.632	68%	0.682	S	S	*	*			trans	-139.5	36	179.3	42.2	0	0	0	0	111.5	G4	T2-G4 PolarHBondContact O-N 3.07Å
3	K	40.9	Very low	45.7	Very low	221 Å²	221	136.5 Å²	136.5	96%	0.961	65%	0.646	S	S	*	*			trans	-91.4	94.7	172.5	-73	-176.1	176.8	179.8	0	108.8
4	G	49	Very low	46.6	Very low	46 Å²	46	141.5 Å²	141.5	47%	0.474	66%	0.655	S	S	.	*			trans	159.8	-10.5	167.2	0	0	0	0	0	119.4	T2 F6	T2-G4 PolarHBondContact O-N 3.07Å; G4-F6 PolarHBondContact O-N 2.79Å
5	K	48.3	Very low	48.3	Very low	98 Å²	98	145.5 Å²	145.5	43%	0.426	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	-2.6	-167.3	-68.9	-171.8	-172.2	171.9	0	116.8	G100 F101 E105	K5-G100 PolarHBondContact NZ-O 3.34Å; K5-F101 HydrophobicContact CB-CE1 3.95Å; K5-F101 HydrophobicContact CB-CZ 4.43Å; K5-F101 HydrophobicContact CD-CD1 3.99Å; K5-F101 HydrophobicContact CD-CE1 3.82Å; K5-F101 HydrophobicContact CG-CE1 4.48Å; K5-E105 IonicContact NZ-OE1 2.93Å; K5-E105 IonicContact NZ-OE2 3.71Å; K5-E105 PolarHBondContact NZ-OE2 2.96Å; K5-E105 VanDerWaalsContact NZ-OE2 3.11Å
6	F	44.7	Very low	50.4	Low	138 Å²	138	142.2 Å²	142.2	61%	0.605	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	15.6	-177.3	-91.9	-82.8	0	0	0	115.6	G4	G4-F6 PolarHBondContact O-N 2.79Å
7	R	44.5	Very low	52.7	Low	220 Å²	220	137.5 Å²	137.5	83%	0.83	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-13.1	-169.8	-72.7	-174.9	165.8	-167.9	-3.8	116.7	C9	R7-C9 PolarHBondContact O-N 3.33Å
8	D	43.4	Very low	54.9	Low	120 Å²	120	130.7 Å²	130.7	64%	0.642	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	8.1	-170.9	-75.9	-8.1	0	0	0	115.5	R10	D8-R10 PolarHBondContact O-N 3.29Å
9	C	45.7	Very low	56.9	Low	57 Å²	57	129.1 Å²	129.1	39%	0.385	60%	0.6	S	S	.	*			trans	-81.3	99.5	171.5	-65.7	0	0	0	0	109.3	R7 I11	R7-C9 PolarHBondContact O-N 3.33Å; C9-I11 HydrophobicContact CB-CD1 4.15Å; C9-I11 HydrophobicContact CB-CG1 4.11Å; C9-I11 PolarHBondContact O-N 3.48Å
10	R	42.7	Very low	58.7	Low	243 Å²	243	124.3 Å²	124.3	92%	0.917	58%	0.581	S	S	*	*			trans	-67	60.6	171.1	-65.6	-171.3	-162.3	-177.6	3.9	112	D8	D8-R10 PolarHBondContact O-N 3.29Å
11	I	52.3	Low	60.3	Low	81 Å²	81	125.7 Å²	125.7	42%	0.415	59%	0.585	S	S	.	*			trans	-100.5	114.2	172.3	-47.9	175.3	0	0	0	105.2	C9 A13 I121	C9-I11 HydrophobicContact CB-CD1 4.15Å; C9-I11 HydrophobicContact CB-CG1 4.11Å; C9-I11 PolarHBondContact O-N 3.48Å; I11-A13 HydrophobicContact CB-CB 4.08Å; I11-A13 HydrophobicContact CG2-CB 3.57Å; I11-A13 PolarHBondContact O-N 2.97Å; I11-I121 HydrophobicContact CD1-CD1 4.3Å
12	Y	50.1	Low	63	Low	181 Å²	181	116.9 Å²	116.9	71%	0.71	55%	0.55	S	S	*	*			trans	-66	38.8	163.6	-62.3	-80.2	0	0	0	111.1	W14 R15	Y12-W14 PolarHBondContact O-N 2.98Å; Y12-W14 VanDerWaalsContact O-N 3.16Å; Y12-R15 PolarHBondContact O-N 3.42Å
13	A	55.1	Low	65.4	Low	25 Å²	25	113 Å²	113	21%	0.207	53%	0.527	C	S	.	.	G	3₁₀ helix	trans	-56.9	-34.3	-170.8	0	0	0	0	0	111.6	I11 R15 L16 I121	I11-A13 HydrophobicContact CB-CB 4.08Å; I11-A13 HydrophobicContact CG2-CB 3.57Å; I11-A13 PolarHBondContact O-N 2.97Å; A13-R15 PolarHBondContact O-N 3.09Å; A13-L16 PolarHBondContact O-N 2.64Å; A13-L16 VanDerWaalsContact O-O 3.1Å; A13-I121 WeakPolarHBondContact CB-O 3.4Å
14	W	59.5	Low	67.8	Low	206 Å²	206	110.6 Å²	110.6	78%	0.78	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-66.1	-18.7	-178.7	61.8	-93.1	0	0	0	113.5	Y12	Y12-W14 PolarHBondContact O-N 2.98Å; Y12-W14 VanDerWaalsContact O-N 3.16Å
15	R	70.8	Confident	69.9	Low	202 Å²	202	115.4 Å²	115.4	76%	0.762	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-92.6	-20.8	176.1	-153.4	175.6	-147.8	-172.8	6.2	113.1	Y12 A13	Y12-R15 PolarHBondContact O-N 3.42Å; A13-R15 PolarHBondContact O-N 3.09Å
16	L	82.2	Confident	72.1	Confident	92 Å²	92	112.9 Å²	112.9	48%	0.482	52%	0.518	S	S	.	.			trans	-89.4	124	-179.6	-63.3	175.8	0	0	0	108.8	A13 I122 Y123	A13-L16 PolarHBondContact O-N 2.64Å; A13-L16 VanDerWaalsContact O-O 3.1Å; L16-I122 HydrophobicContact CB-CB 4.19Å; L16-I122 HydrophobicContact CB-CG2 3.51Å; L16-I122 HydrophobicContact CD1-CG2 4.28Å; L16-I122 WeakPolarHBondContact O-CB 3.39Å; L16-Y123 PolarHBondContact O-N 2.82Å; L16-Y123 VanDerWaalsContact O-N 3.15Å
17	S	90	Very high	74.4	Confident	63 Å²	63	109 Å²	109	44%	0.441	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.9	171.9	61.6	0	0	0	0	110.1	Y123 K125	S17-Y123 VanDerWaalsContact CA-O 3.25Å; S17-Y123 WeakPolarHBondContact CA-O 3.5Å; S17-K125 WeakPolarHBondContact OG-CE 3.39Å
18	G	91.3	Very high	76.8	Confident	14 Å²	14	105 Å²	105	14%	0.144	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	-164.7	178.9	0	0	0	0	0	112.6	Y123 F124 K125	G18-Y123 PolarHBondContact N-O 3.24Å; G18-F124 WeakPolarHBondContact O-CA 3.23Å; G18-K125 PolarHBondContact O-N 2.63Å
19	Y	93.4	Very high	79.3	Confident	100 Å²	100	103 Å²	103	39%	0.392	52%	0.519	S	S	.	.			trans	-121.6	149.2	-180	-64.1	-84.9	0	0	0	109.2	K21 K125 E126	Y19-K21 PolarHBondContact O-N 2.68Å; Y19-K125 HydrophobicContact CE1-CB 4.05Å; Y19-K125 HydrophobicContact CE2-CD 4.31Å; Y19-E126 HydrophobicContact CD1-CB 4.14Å; Y19-E126 HydrophobicContact CE1-CB 4.1Å; Y19-E126 HydrophobicContact CE1-CG 4.13Å
20	P	93.4	Very high	81.7	Confident	33 Å²	33	109.7 Å²	109.7	21%	0.214	54%	0.536	C	S	.	.			trans	-61.9	130.4	178	24.8	-33.2	0	0	0	110.6	F124 E126 T129	P20-F124 HydrophobicContact CB-CE1 4.49Å; P20-E126 WeakPolarHBondContact CD-O 3.17Å; P20-T129 WeakPolarHBondContact CD-OG1 3.44Å; P20-T129 WeakPolarHBondContact CG-OG1 3.37Å; P20-T129 WeakPolarHBondContact O-CB 3.33Å; P20-T129 PolarHBondContact O-OG1 2.79Å
21	K	91.9	Very high	84.2	Confident	154 Å²	154	105 Å²	105	67%	0.67	52%	0.523	S	S	*	.			trans	-134.6	146.6	177.1	-67.4	-176.3	-179.2	-178.3	0	109.7	Y19 F119	Y19-K21 PolarHBondContact O-N 2.68Å; K21-F119 HydrophobicContact CB-CE1 4.47Å; K21-F119 HydrophobicContact CB-CE2 4.42Å; K21-F119 HydrophobicContact CB-CZ 4.08Å; K21-F119 WeakPolarHBondContact O-CD2 3.12Å; K21-F119 WeakPolarHBondContact O-CE2 3.36Å
22	A	92.7	Very high	86.2	Confident	57 Å²	57	105.5 Å²	105.5	47%	0.471	53%	0.525	S	S	.	.			trans	-98.4	142.9	170.6	0	0	0	0	0	110.4	L24	A22-L24 PolarHBondContact O-N 3.24Å
23	V	91.5	Very high	88.4	Confident	23 Å²	23	98.4 Å²	98.4	14%	0.139	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-65.3	121.6	173.8	-179.6	0	0	0	0	107.5	R25 N26 N90 S117 F119	V23-R25 PolarHBondContact O-N 2.84Å; V23-N26 VanDerWaalsContact O-CB 3.24Å; V23-N26 WeakPolarHBondContact O-CB 3.2Å; V23-N26 PolarHBondContact O-N 3.23Å; V23-N90 HydrophobicContact CG1-CB 4.3Å; V23-N90 HydrophobicContact CG2-CB 4.23Å; V23-S117 WeakPolarHBondContact CG2-O 3.48Å; V23-F119 HydrophobicContact CB-CE2 4.44Å; V23-F119 HydrophobicContact CG2-CD2 4.17Å; V23-F119 HydrophobicContact CG2-CE2 3.48Å; V23-F119 VanDerWaalsContact CG2-CE2 3.48Å; V23-F119 HydrophobicContact CG2-CZ 3.96Å
24	L	91.9	Very high	90.3	Very high	170 Å²	170	97.8 Å²	97.8	89%	0.89	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	48.5	32.8	179.7	-61	174.2	0	0	0	114.6	A22 N26	A22-L24 PolarHBondContact O-N 3.24Å; L24-N26 PolarHBondContact O-N 3.4Å
25	R	92.7	Very high	92.1	Very high	146 Å²	146	88 Å²	88	55%	0.551	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	53.3	37.8	-175	-59.2	-179.3	172.4	169.1	1.1	113.6	V23 G27 I28 H131	V23-R25 PolarHBondContact O-N 2.84Å; R25-G27 PolarHBondContact O-N 2.9Å; R25-I28 HydrophobicContact CB-CD1 3.69Å; R25-I28 HydrophobicContact CB-CG1 4.24Å; R25-I28 HydrophobicContact CG-CD1 4.23Å; R25-I28 WeakPolarHBondContact O-CG1 3.48Å; R25-I28 PolarHBondContact O-N 3.28Å; R25-H131 PolarHBondContact NE-NE2 2.85Å; R25-H131 PolarHBondContact NH2-CD2 3.06Å; R25-H131 PolarHBondContact NH2-NE2 3.32Å; R25-H131 VanDerWaalsContact NH2-NE2 3.13Å
26	N	94.6	Very high	93.3	Very high	45 Å²	45	83.5 Å²	83.5	24%	0.241	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	134.5	175.1	-166.9	15.9	0	0	0	111.3	V23 L24 R30 F31 I32	V23-N26 VanDerWaalsContact O-CB 3.24Å; V23-N26 WeakPolarHBondContact O-CB 3.2Å; V23-N26 PolarHBondContact O-N 3.23Å; L24-N26 PolarHBondContact O-N 3.4Å; N26-R30 PolarHBondContact OD1-O 3.01Å; N26-F31 WeakPolarHBondContact OD1-CA 3.28Å; N26-I32 PolarHBondContact ND2-O 2.9Å; N26-I32 PolarHBondContact OD1-N 3.08Å
27	G	93.6	Very high	94.1	Very high	56 Å²	56	83.2 Å²	83.2	58%	0.577	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.7	-14.6	-176.9	0	0	0	0	0	115.9	R25 R30	R25-G27 PolarHBondContact O-N 2.9Å; G27-R30 PolarHBondContact N-O 2.91Å
28	I	94.6	Very high	94.4	Very high	136 Å²	136	80.2 Å²	80.2	70%	0.697	42%	0.415	S	S	*	.	S	Bend	trans	-72.6	-46.9	175.4	-63.9	-175.4	0	0	0	111.8	R25	R25-I28 HydrophobicContact CB-CD1 3.69Å; R25-I28 HydrophobicContact CB-CG1 4.24Å; R25-I28 HydrophobicContact CG-CD1 4.23Å; R25-I28 WeakPolarHBondContact O-CG1 3.48Å; R25-I28 PolarHBondContact O-N 3.28Å
29	G	95.3	Very high	94.8	Very high	79 Å²	79	79.9 Å²	79.9	81%	0.814	41%	0.41	S	S	*	.	S	Bend	trans	-103.6	-53.4	-179.7	0	0	0	0	0	112.7
30	R	95.8	Very high	95	Very high	197 Å²	197	75.1 Å²	75.1	74%	0.743	39%	0.391	S	S	*	.			trans	-145.1	160.7	172.5	68.2	179.9	70.2	-173.7	1.7	109.6	N26 G27 I32	N26-R30 PolarHBondContact OD1-O 3.01Å; G27-R30 PolarHBondContact N-O 2.91Å; R30-I32 HydrophobicContact CG-CG1 4.18Å
31	F	95.3	Very high	95.1	Very high	145 Å²	145	74.9 Å²	74.9	64%	0.636	39%	0.387	S	S	*	.			trans	-86.2	128	169.5	177.1	-106.6	0	0	0	110.3	N26 H33	N26-F31 WeakPolarHBondContact OD1-CA 3.28Å; F31-H33 HydrophobicContact CE1-CB 4.49Å
32	I	95.2	Very high	95.3	Very high	92 Å²	92	68.6 Å²	68.6	47%	0.472	36%	0.36	S	S	.	.			trans	-113.9	131	170.7	-59.5	175.7	0	0	0	107.7	N26 R30 P34 L89	N26-I32 PolarHBondContact ND2-O 2.9Å; N26-I32 PolarHBondContact OD1-N 3.08Å; R30-I32 HydrophobicContact CG-CG1 4.18Å; I32-P34 VanDerWaalsContact O-CD 3.26Å; I32-P34 WeakPolarHBondContact O-CD 3.16Å; I32-L89 HydrophobicContact CG2-CD1 3.72Å
33	H	95.3	Very high	95.5	Very high	31 Å²	31	66 Å²	66	14%	0.144	34%	0.338	C	S	.	.			trans	-67.2	119.6	178.6	-164.4	70.2	0	0	0	110.4	F31 L35 H67 V70 L89 A114	F31-H33 HydrophobicContact CE1-CB 4.49Å; H33-L35 PolarHBondContact O-N 2.93Å; H33-H67 AromaticContact CE1-CD2 3.71Å; H33-H67 AromaticContact NE2-CD2 3.89Å; H33-V70 WeakPolarHBondContact CD2-CG2 3.37Å; H33-L89 WeakPolarHBondContact O-CD1 3.25Å; H33-A114 PolarHBondContact CE1-O 3.38Å; H33-A114 PolarHBondContact NE2-O 3.14Å
34	P	95.9	Very high	95.7	Very high	13 Å²	13	72.1 Å²	72.1	8%	0.084	36%	0.363	C	S	.	.	S	Bend	trans	-72.9	-24.1	-172	-21.7	34.6	0	0	0	115.2	I32 Y88 L89	I32-P34 VanDerWaalsContact O-CD 3.26Å; I32-P34 WeakPolarHBondContact O-CD 3.16Å; P34-Y88 HydrophobicContact CB-CD1 4.34Å; P34-Y88 CarbonylContact O-C 3.54Å; P34-Y88 VanDerWaalsContact O-CA 3.25Å; P34-Y88 WeakPolarHBondContact O-CA 3.27Å; P34-L89 WeakPolarHBondContact O-CG 3.4Å; P34-L89 PolarHBondContact O-N 3.27Å
35	L	96.8	Very high	95.8	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124	178.8	-178.9	70.2	0	0	0	109.2	H33 L38 V70 Y88 A114	H33-L35 PolarHBondContact O-N 2.93Å; L35-L38 HydrophobicContact CD2-CB 4.28Å; L35-L38 HydrophobicContact CD2-CD1 3.94Å; L35-V70 HydrophobicContact CB-CG2 4.35Å; L35-V70 HydrophobicContact CD2-CG1 3.84Å; L35-V70 HydrophobicContact CD2-CG2 4.12Å; L35-V70 HydrophobicContact CG-CG1 4.07Å; L35-V70 HydrophobicContact CG-CG2 4.28Å; L35-Y88 HydrophobicContact CB-CD1 4.28Å; L35-Y88 HydrophobicContact CB-CE1 4.15Å; L35-Y88 HydrophobicContact CD1-CD1 4.22Å; L35-Y88 HydrophobicContact CD1-CE1 3.84Å; L35-A114 HydrophobicContact CD2-CB 4.3Å
36	Q	96.6	Very high	95.9	Very high	106 Å²	106	63 Å²	63	50%	0.495	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-46	-179.9	-178.6	-179.2	-5.5	0	0	111.5	A71 E87 L89	Q36-A71 PolarHBondContact O-N 3.33Å; Q36-E87 PolarHBondContact N-O 3.43Å; Q36-L89 HydrophobicContact CB-CD2 4.18Å; Q36-L89 HydrophobicContact CG-CD2 4.49Å
37	R	97.9	Very high	95.9	Very high	86 Å²	86	65.3 Å²	65.3	33%	0.325	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.2	-175.3	176	166.4	62.5	179.4	1.5	110.6	A71 Y73 G86 E87	R37-A71 CarbonylContact C-O 3.59Å; R37-A71 VanDerWaalsContact CA-O 3.29Å; R37-A71 WeakPolarHBondContact CA-O 3.39Å; R37-Y73 VanDerWaalsContact CD-CD2 3.48Å; R37-Y73 HydrophobicContact CG-CD2 3.63Å; R37-Y73 HydrophobicContact CG-CE2 3.81Å; R37-G86 CarbonylContact O-C 3.59Å; R37-G86 WeakPolarHBondContact O-CA 3.34Å; R37-E87 HydrophobicContact CB-CB 4.31Å; R37-E87 IonicContact CZ-OE1 3.26Å; R37-E87 VanDerWaalsContact CZ-OE1 3.3Å; R37-E87 IonicContact CZ-OE2 2.68Å; R37-E87 PolarHBondContact N-O 3.03Å; R37-E87 VanDerWaalsContact NE-CD 3.25Å; R37-E87 IonicContact NE-OE1 3.67Å; R37-E87 PolarHBondContact NE-OE1 3.47Å; R37-E87 IonicContact NE-OE2 3.67Å; R37-E87 PolarHBondContact NE-OE2 2.87Å; R37-E87 IonicContact NH2-OE1 3.11Å; R37-E87 PolarHBondContact NH2-OE1 2.81Å; R37-E87 IonicContact NH2-OE2 3.24Å; R37-E87 PolarHBondContact NH2-OE2 3.22Å; R37-E87 PolarHBondContact O-N 3.47Å
38	L	97.6	Very high	95.9	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.4	174.2	-165	158.7	0	0	0	109.1	L35 F40 F63 V70 A71 V72 Y73 I84 C85 V110 M113	L35-L38 HydrophobicContact CD2-CB 4.28Å; L35-L38 HydrophobicContact CD2-CD1 3.94Å; L38-F40 HydrophobicContact CD2-CD1 4.16Å; L38-F40 HydrophobicContact CD2-CD2 3.63Å; L38-F40 HydrophobicContact CD2-CE1 3.75Å; L38-F40 HydrophobicContact CD2-CE2 3.19Å; L38-F40 HydrophobicContact CD2-CG 4.1Å; L38-F40 HydrophobicContact CD2-CZ 3.23Å; L38-F63 HydrophobicContact CD1-CE1 4.39Å; L38-F63 HydrophobicContact CD1-CZ 4.28Å; L38-V70 HydrophobicContact CB-CG1 4.07Å; L38-A71 PolarHBondContact N-O 3.41Å; L38-V72 CarbonylContact O-C 3.55Å; L38-V72 WeakPolarHBondContact O-CA 3.1Å; L38-Y73 PolarHBondContact O-N 3.37Å; L38-I84 HydrophobicContact CD1-CG2 4.34Å; L38-I84 HydrophobicContact CD2-CG2 3.61Å; L38-I84 HydrophobicContact CG-CG2 3.9Å; L38-C85 WeakPolarHBondContact CA-O 3.29Å; L38-V110 HydrophobicContact CD1-CG1 4.13Å; L38-M113 HydrophobicContact CD1-CB 4.44Å
39	T	97.8	Very high	95.9	Very high	8 Å²	8	59.3 Å²	59.3	5%	0.049	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.2	-179.6	-52.2	0	0	0	0	110	F41 Y73 Q75 I84 C85	T39-F41 HydrophobicContact CG2-CD1 4.47Å; T39-F41 HydrophobicContact CG2-CD2 4.14Å; T39-F41 HydrophobicContact CG2-CE1 4.07Å; T39-F41 HydrophobicContact CG2-CE2 3.69Å; T39-F41 HydrophobicContact CG2-CZ 3.65Å; T39-Y73 CarbonylContact C-O 3.58Å; T39-Y73 WeakPolarHBondContact CA-O 3.22Å; T39-Q75 HydrophobicContact CG2-CG 3.98Å; T39-I84 WeakPolarHBondContact O-CA 3.44Å; T39-C85 PolarHBondContact N-O 3.4Å; T39-C85 PolarHBondContact O-N 2.88Å
40	F	97.5	Very high	96	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.8	169.5	-63.8	-83.5	0	0	0	109.4	L38 V52 F55 L56 L60 V72 Y73 V74 Q75 I84 V110	L38-F40 HydrophobicContact CD2-CD1 4.16Å; L38-F40 HydrophobicContact CD2-CD2 3.63Å; L38-F40 HydrophobicContact CD2-CE1 3.75Å; L38-F40 HydrophobicContact CD2-CE2 3.19Å; L38-F40 HydrophobicContact CD2-CG 4.1Å; L38-F40 HydrophobicContact CD2-CZ 3.23Å; F40-V52 HydrophobicContact CD1-CG1 4.37Å; F40-F55 HydrophobicContact CE1-CD1 4.15Å; F40-F55 AromaticContact CE1-CE1 3.94Å; F40-F55 HydrophobicContact CE1-CE1 3.94Å; F40-F55 HydrophobicContact CE2-CE1 4.35Å; F40-F55 HydrophobicContact CZ-CD1 4.16Å; F40-F55 AromaticContact CZ-CE1 3.54Å; F40-F55 HydrophobicContact CZ-CE1 3.54Å; F40-F55 HydrophobicContact CZ-CZ 4.47Å; F40-L56 HydrophobicContact CB-CD2 4.36Å; F40-L56 HydrophobicContact CD2-CD2 3.97Å; F40-L56 HydrophobicContact CE2-CD2 4.37Å; F40-L56 HydrophobicContact CG-CD2 4.06Å; F40-L60 HydrophobicContact CD2-CD1 4.34Å; F40-L60 HydrophobicContact CE2-CD1 3.73Å; F40-L60 HydrophobicContact CZ-CD1 4.43Å; F40-V72 HydrophobicContact CD2-CG1 3.95Å; F40-V72 HydrophobicContact CE2-CG1 3.64Å; F40-Y73 PolarHBondContact N-O 3.49Å; F40-V74 HydrophobicContact CD2-CG2 4.37Å; F40-Q75 PolarHBondContact O-N 3.44Å; F40-I84 HydrophobicContact CD1-CD1 4.02Å; F40-I84 HydrophobicContact CD1-CG1 3.79Å; F40-I84 HydrophobicContact CE1-CD1 3.72Å; F40-I84 HydrophobicContact CE1-CG1 3.99Å; F40-I84 HydrophobicContact CE1-CG2 4.46Å; F40-V110 HydrophobicContact CE1-CG2 3.68Å; F40-V110 HydrophobicContact CZ-CG2 3.76Å
41	F	96.8	Very high	96.1	Very high	27 Å²	27	47.9 Å²	47.9	12%	0.118	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.9	161.2	-26.8	-124.6	0	0	0	111.6	T39 Q75 K77 P82 W83 C85	T39-F41 HydrophobicContact CG2-CD1 4.47Å; T39-F41 HydrophobicContact CG2-CD2 4.14Å; T39-F41 HydrophobicContact CG2-CE1 4.07Å; T39-F41 HydrophobicContact CG2-CE2 3.69Å; T39-F41 HydrophobicContact CG2-CZ 3.65Å; F41-Q75 VanDerWaalsContact CA-O 3.28Å; F41-Q75 WeakPolarHBondContact CA-O 3.4Å; F41-Q75 HydrophobicContact CD1-CB 3.74Å; F41-Q75 HydrophobicContact CD1-CG 4.45Å; F41-Q75 HydrophobicContact CE1-CB 4.31Å; F41-Q75 HydrophobicContact CG-CB 4.33Å; F41-K77 HydrophobicContact CB-CG 4.03Å; F41-K77 HydrophobicContact CD1-CG 3.93Å; F41-P82 WeakPolarHBondContact O-CA 3.23Å; F41-W83 HydrophobicContact CD1-CZ2 4.32Å; F41-W83 AromaticContact CD1-NE1 3.6Å; F41-W83 AromaticContact CD2-CD1 3.19Å; F41-W83 HydrophobicContact CD2-CD2 4.09Å; F41-W83 AromaticContact CD2-CE2 3.53Å; F41-W83 AromaticContact CD2-CG 3.9Å; F41-W83 HydrophobicContact CD2-CG 3.9Å; F41-W83 HydrophobicContact CD2-CZ2 4.2Å; F41-W83 AromaticContact CD2-NE1 2.96Å; F41-W83 HydrophobicContact CE1-CZ2 4.14Å; F41-W83 HydrophobicContact CE2-CD2 4.3Å; F41-W83 AromaticContact CE2-CE2 3.74Å; F41-W83 HydrophobicContact CE2-CZ2 4.03Å; F41-W83 AromaticContact CE2-NE1 3.66Å; F41-W83 AromaticContact CG-CD1 3.44Å; F41-W83 VanDerWaalsContact CG-CD1 3.44Å; F41-W83 AromaticContact CG-CE2 3.79Å; F41-W83 HydrophobicContact CG-CG 4.49Å; F41-W83 HydrophobicContact CG-CZ2 4.35Å; F41-W83 AromaticContact CG-NE1 2.93Å; F41-W83 HydrophobicContact CZ-CZ2 4.01Å; F41-W83 PolarHBondContact N-O 3.21Å; F41-W83 PolarHBondContact O-N 2.97Å; F41-W83 VanDerWaalsContact O-N 3.09Å; F41-C85 HydrophobicContact CE2-CB 3.88Å
42	F	96.6	Very high	96.2	Very high	23 Å²	23	41.1 Å²	41.1	10%	0.101	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	157.1	-173.9	70.9	-74.3	0	0	0	110.2	V52 R53 L56 V74 Q75 P76 K77 P82	F42-V52 HydrophobicContact CB-CB 4.34Å; F42-V52 HydrophobicContact CB-CG1 3.92Å; F42-V52 HydrophobicContact CG-CG1 4.34Å; F42-R53 HydrophobicContact CD2-CG 3.63Å; F42-R53 HydrophobicContact CE2-CG 3.82Å; F42-L56 HydrophobicContact CD1-CD1 3.67Å; F42-L56 HydrophobicContact CD2-CD1 4.35Å; F42-L56 HydrophobicContact CE1-CD1 3.47Å; F42-L56 VanDerWaalsContact CE1-CD1 3.47Å; F42-L56 HydrophobicContact CE2-CD1 4.14Å; F42-L56 HydrophobicContact CG-CD1 4.13Å; F42-L56 HydrophobicContact CZ-CD1 3.69Å; F42-V74 HydrophobicContact CD1-CG1 4.39Å; F42-V74 HydrophobicContact CE1-CG1 3.45Å; F42-V74 VanDerWaalsContact CE1-CG1 3.45Å; F42-V74 HydrophobicContact CZ-CG1 4.11Å; F42-Q75 PolarHBondContact N-O 2.96Å; F42-P76 HydrophobicContact CE1-CB 4.33Å; F42-P76 HydrophobicContact CZ-CB 4.22Å; F42-P76 CarbonylContact O-C 3.51Å; F42-P76 WeakPolarHBondContact O-CA 3.32Å; F42-K77 PolarHBondContact O-N 3.08Å; F42-P82 HydrophobicContact CB-CB 4.43Å
43	C	95.9	Very high	96.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	22%	0.215	C	C	.	.			trans	-92.1	141.9	171.4	-171	0	0	0	0	110.4	S49 K77	C43-S49 WeakPolarHBondContact O-CB 3.39Å; C43-S49 PolarHBondContact O-OG 2.9Å; C43-K77 VanDerWaalsContact CA-O 3.23Å; C43-K77 WeakPolarHBondContact CA-O 3.41Å; C43-K77 WeakPolarHBondContact CB-O 3.08Å
44	K	96	Very high	96.4	Very high	151 Å²	151	44.1 Å²	44.1	66%	0.657	23%	0.231	S	C	*	.	S	Bend	trans	-68.3	-37.9	177.7	-66.2	-174.8	177.9	-175.8	0	112.6	R53 P76	K44-R53 WeakPolarHBondContact O-CD 3.35Å; K44-P76 HydrophobicContact CD-CB 4.46Å; K44-P76 HydrophobicContact CG-CB 4.12Å
45	S	94.7	Very high	96.5	Very high	90 Å²	90	43.6 Å²	43.6	63%	0.629	23%	0.227	S	C	*	.	S	Bend	trans	-98.9	-26.4	-173.3	54.7	0	0	0	0	114.8
46	S	93.8	Very high	96.5	Very high	36 Å²	36	44.8 Å²	44.8	25%	0.252	23%	0.233	S	C	.	.			trans	-63.9	141.6	-173.7	-169.7	0	0	0	0	112.5	N48 S49 R53	S46-N48 PolarHBondContact OG-N 2.91Å; S46-S49 PolarHBondContact O-OG 3.22Å; S46-R53 PolarHBondContact O-NH2 2.85Å
47	S	94.2	Very high	96.5	Very high	93 Å²	93	45.6 Å²	45.6	65%	0.65	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-65	-40.6	171.4	54.9	0	0	0	0	111.6	S49 A50	S47-S49 PolarHBondContact O-N 2.9Å; S47-S49 VanDerWaalsContact O-N 3.08Å; S47-A50 WeakPolarHBondContact O-CB 3.43Å; S47-A50 PolarHBondContact O-N 2.84Å
48	N	94.3	Very high	96.5	Very high	65 Å²	65	48 Å²	48	35%	0.348	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-56	-26.4	178.7	-71.4	-19.3	0	0	0	115.4	S46 N99 G100	S46-N48 PolarHBondContact OG-N 2.91Å; N48-N99 WeakPolarHBondContact CB-OD1 3.21Å; N48-N99 VanDerWaalsContact CG-OD1 3.24Å; N48-N99 PolarHBondContact ND2-OD1 2.78Å; N48-G100 PolarHBondContact O-N 2.97Å
49	S	95.7	Very high	96.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-95.9	9.8	176.9	50.1	0	0	0	0	113.4	C43 S46 S47 G51 V52 R53	C43-S49 WeakPolarHBondContact O-CB 3.39Å; C43-S49 PolarHBondContact O-OG 2.9Å; S46-S49 PolarHBondContact O-OG 3.22Å; S47-S49 PolarHBondContact O-N 2.9Å; S47-S49 VanDerWaalsContact O-N 3.08Å; S49-G51 PolarHBondContact O-N 3.45Å; S49-V52 PolarHBondContact O-N 3.4Å; S49-R53 WeakPolarHBondContact O-CG 3.26Å; S49-R53 PolarHBondContact O-N 2.83Å
50	A	96.5	Very high	96.4	Very high	32 Å²	32	50.6 Å²	50.6	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-47	-178.8	0	0	0	0	0	112.4	S47 V52 R53 Q54	S47-A50 WeakPolarHBondContact O-CB 3.43Å; S47-A50 PolarHBondContact O-N 2.84Å; A50-V52 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 2.98Å; A50-R53 PolarHBondContact O-N 3.33Å; A50-Q54 WeakPolarHBondContact O-CG 3.46Å; A50-Q54 PolarHBondContact O-N 3.28Å
51	G	97	Very high	96.4	Very high	4 Å²	4	55.4 Å²	55.4	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-38.6	178.4	0	0	0	0	0	113.1	S49 Q54 F55 F101	S49-G51 PolarHBondContact O-N 3.45Å; G51-Q54 PolarHBondContact O-N 3.1Å; G51-F55 PolarHBondContact O-N 3.08Å; G51-F101 WeakPolarHBondContact CA-O 3.47Å
52	V	97.6	Very high	96.4	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-43.1	175.3	-178.5	0	0	0	0	110.9	F40 F42 S49 A50 Q54 F55 L56 P82 V98 V106	F40-V52 HydrophobicContact CD1-CG1 4.37Å; F42-V52 HydrophobicContact CB-CB 4.34Å; F42-V52 HydrophobicContact CB-CG1 3.92Å; F42-V52 HydrophobicContact CG-CG1 4.34Å; S49-V52 PolarHBondContact O-N 3.4Å; A50-V52 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 2.98Å; V52-Q54 VanDerWaalsContact C-N 3.33Å; V52-Q54 PolarHBondContact O-N 3.31Å; V52-F55 PolarHBondContact O-N 2.91Å; V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 HydrophobicContact CG1-CG 4.27Å; V52-L56 WeakPolarHBondContact O-CB 3.28Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.5Å; V52-L56 PolarHBondContact O-N 2.94Å; V52-P82 HydrophobicContact CG2-CB 4.08Å; V52-V98 HydrophobicContact CG2-CB 4.32Å; V52-V98 HydrophobicContact CG2-CG2 3.55Å; V52-V106 HydrophobicContact CG2-CG1 4.48Å; V52-V106 HydrophobicContact CG2-CG2 3.93Å
53	R	97.1	Very high	96.4	Very high	87 Å²	87	59.1 Å²	59.1	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175.6	-73.9	-176	-73.6	140.7	-9.4	111.7	F42 K44 S46 S49 A50 L56 T57	F42-R53 HydrophobicContact CD2-CG 3.63Å; F42-R53 HydrophobicContact CE2-CG 3.82Å; K44-R53 WeakPolarHBondContact O-CD 3.35Å; S46-R53 PolarHBondContact O-NH2 2.85Å; S49-R53 WeakPolarHBondContact O-CG 3.26Å; S49-R53 PolarHBondContact O-N 2.83Å; A50-R53 PolarHBondContact O-N 3.33Å; R53-L56 PolarHBondContact O-N 3.41Å; R53-T57 PolarHBondContact O-N 3.03Å; R53-T57 VanDerWaalsContact O-N 3.08Å; R53-T57 PolarHBondContact O-OG1 2.82Å; R53-T57 VanDerWaalsContact O-OG1 3.1Å
54	Q	97.6	Very high	96.5	Very high	99 Å²	99	61.1 Å²	61.1	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-44.4	176.7	-70.8	174.1	-8.3	0	0	111.8	A50 G51 V52 T57 K58 H103	A50-Q54 WeakPolarHBondContact O-CG 3.46Å; A50-Q54 PolarHBondContact O-N 3.28Å; G51-Q54 PolarHBondContact O-N 3.1Å; V52-Q54 VanDerWaalsContact C-N 3.33Å; V52-Q54 PolarHBondContact O-N 3.31Å; Q54-T57 PolarHBondContact O-N 3.28Å; Q54-K58 PolarHBondContact O-N 2.86Å; Q54-H103 HydrophobicContact CB-CB 4.45Å
55	F	97.9	Very high	96.6	Very high	3 Å²	3	59 Å²	59	1%	0.013	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-43.6	176.9	175.9	-93	0	0	0	111.5	F40 G51 V52 T57 K58 D59 L60 H103 V106 Q107 V110	F40-F55 HydrophobicContact CE1-CD1 4.15Å; F40-F55 AromaticContact CE1-CE1 3.94Å; F40-F55 HydrophobicContact CE1-CE1 3.94Å; F40-F55 HydrophobicContact CE2-CE1 4.35Å; F40-F55 HydrophobicContact CZ-CD1 4.16Å; F40-F55 AromaticContact CZ-CE1 3.54Å; F40-F55 HydrophobicContact CZ-CE1 3.54Å; F40-F55 HydrophobicContact CZ-CZ 4.47Å; G51-F55 PolarHBondContact O-N 3.08Å; V52-F55 PolarHBondContact O-N 2.91Å; F55-T57 PolarHBondContact O-N 2.74Å; F55-K58 PolarHBondContact O-N 3.32Å; F55-D59 HydrophobicContact CD2-CB 3.74Å; F55-D59 HydrophobicContact CE2-CB 3.58Å; F55-D59 HydrophobicContact CZ-CB 4.24Å; F55-D59 PolarHBondContact O-N 2.74Å; F55-L60 HydrophobicContact CE1-CD1 4.39Å; F55-L60 PolarHBondContact O-N 2.84Å; F55-H103 PolarHBondContact N-CD2 2.9Å; F55-V106 HydrophobicContact CB-CB 4.36Å; F55-V106 HydrophobicContact CB-CG1 3.85Å; F55-V106 HydrophobicContact CD1-CG1 4.06Å; F55-V106 HydrophobicContact CD2-CG1 4.22Å; F55-V106 HydrophobicContact CG-CG1 3.76Å; F55-Q107 HydrophobicContact CD2-CB 4.27Å; F55-Q107 HydrophobicContact CE2-CB 4.2Å; F55-Q107 HydrophobicContact CE2-CG 4.3Å; F55-V110 HydrophobicContact CE1-CG2 4Å; F55-V110 HydrophobicContact CE2-CG2 4.48Å; F55-V110 HydrophobicContact CZ-CB 4.23Å; F55-V110 HydrophobicContact CZ-CG1 4.14Å; F55-V110 HydrophobicContact CZ-CG2 3.89Å
56	L	97.3	Very high	96.7	Very high	25 Å²	25	58.2 Å²	58.2	13%	0.131	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-34	177.5	-69.8	173	0	0	0	112.6	F40 F42 V52 R53 L60 V74	F40-L56 HydrophobicContact CB-CD2 4.36Å; F40-L56 HydrophobicContact CD2-CD2 3.97Å; F40-L56 HydrophobicContact CE2-CD2 4.37Å; F40-L56 HydrophobicContact CG-CD2 4.06Å; F42-L56 HydrophobicContact CD1-CD1 3.67Å; F42-L56 HydrophobicContact CD2-CD1 4.35Å; F42-L56 HydrophobicContact CE1-CD1 3.47Å; F42-L56 VanDerWaalsContact CE1-CD1 3.47Å; F42-L56 HydrophobicContact CE2-CD1 4.14Å; F42-L56 HydrophobicContact CG-CD1 4.13Å; F42-L56 HydrophobicContact CZ-CD1 3.69Å; V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 HydrophobicContact CG1-CG 4.27Å; V52-L56 WeakPolarHBondContact O-CB 3.28Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.5Å; V52-L56 PolarHBondContact O-N 2.94Å; R53-L56 PolarHBondContact O-N 3.41Å; L56-L60 HydrophobicContact CD2-CD1 3.88Å; L56-L60 HydrophobicContact CD2-CD2 3.81Å; L56-L60 HydrophobicContact CD2-CG 4.33Å; L56-L60 WeakPolarHBondContact O-CB 3.24Å; L56-V74 HydrophobicContact CD1-CG1 3.93Å; L56-V74 HydrophobicContact CD2-CG1 4.2Å; L56-V74 HydrophobicContact CD2-CG2 3.8Å
57	T	96.8	Very high	96.8	Very high	123 Å²	123	59 Å²	59	76%	0.755	33%	0.33	S	S	*	.	H	α-helix	trans	-78.4	-38.4	178.8	-58.7	0	0	0	0	113	R53 Q54 F55	R53-T57 PolarHBondContact O-N 3.03Å; R53-T57 VanDerWaalsContact O-N 3.08Å; R53-T57 PolarHBondContact O-OG1 2.82Å; R53-T57 VanDerWaalsContact O-OG1 3.1Å; Q54-T57 PolarHBondContact O-N 3.28Å; F55-T57 PolarHBondContact O-N 2.74Å
58	K	97.2	Very high	96.9	Very high	137 Å²	137	60.1 Å²	60.1	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-95.1	-51.8	-171.6	-65.7	-175.9	176.8	-172	0	113.6	Q54 F55	Q54-K58 PolarHBondContact O-N 2.86Å; F55-K58 PolarHBondContact O-N 3.32Å
59	D	97.4	Very high	97	Very high	31 Å²	31	60.6 Å²	60.6	17%	0.166	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-9.2	-160.6	-65.5	-0.1	0	0	0	113.5	F55 V61 D62 F63 H103	F55-D59 HydrophobicContact CD2-CB 3.74Å; F55-D59 HydrophobicContact CE2-CB 3.58Å; F55-D59 HydrophobicContact CZ-CB 4.24Å; F55-D59 PolarHBondContact O-N 2.74Å; D59-V61 VanDerWaalsContact C-N 3.32Å; D59-V61 PolarHBondContact O-N 3.47Å; D59-D62 PolarHBondContact O-N 3.48Å; D59-F63 WeakPolarHBondContact O-CB 3.49Å; D59-F63 PolarHBondContact O-N 2.91Å; D59-H103 IonicContact OD1-CE1 2.79Å; D59-H103 IonicContact OD1-NE2 3.05Å; D59-H103 IonicContact OD2-CE1 3.3Å; D59-H103 PolarHBondContact OD2-CE1 2.98Å; D59-H103 IonicContact OD2-NE2 2.63Å; D59-H103 PolarHBondContact OD2-NE2 3.37Å
60	L	96.9	Very high	97.1	Very high	31 Å²	31	61.1 Å²	61.1	16%	0.162	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-41.4	-174.1	-174.9	66.1	0	0	0	112.9	F40 F55 L56 S64 V72 V74	F40-L60 HydrophobicContact CD2-CD1 4.34Å; F40-L60 HydrophobicContact CE2-CD1 3.73Å; F40-L60 HydrophobicContact CZ-CD1 4.43Å; F55-L60 HydrophobicContact CE1-CD1 4.39Å; F55-L60 PolarHBondContact O-N 2.84Å; L56-L60 HydrophobicContact CD2-CD1 3.88Å; L56-L60 HydrophobicContact CD2-CD2 3.81Å; L56-L60 HydrophobicContact CD2-CG 4.33Å; L56-L60 WeakPolarHBondContact O-CB 3.24Å; L60-S64 WeakPolarHBondContact O-CB 3.4Å; L60-S64 PolarHBondContact O-N 3.26Å; L60-S64 PolarHBondContact O-OG 3.26Å; L60-V72 HydrophobicContact CD1-CG1 3.66Å; L60-V74 HydrophobicContact CD2-CG2 3.95Å
61	V	96.9	Very high	97.2	Very high	101 Å²	101	61.6 Å²	61.6	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-69.3	-43.1	-178.8	-179.6	0	0	0	0	109.9	D59 F63 S64 T65	D59-V61 VanDerWaalsContact C-N 3.32Å; D59-V61 PolarHBondContact O-N 3.47Å; V61-F63 VanDerWaalsContact C-N 3.34Å; V61-F63 PolarHBondContact O-N 3.37Å; V61-S64 PolarHBondContact O-N 2.88Å; V61-T65 WeakPolarHBondContact O-CB 3.49Å; V61-T65 PolarHBondContact O-N 3.18Å; V61-T65 PolarHBondContact O-OG1 3.34Å
62	D	97.5	Very high	97.2	Very high	107 Å²	107	63.3 Å²	63.3	57%	0.572	36%	0.36	S	S	*	.	H	α-helix	trans	-63.2	-41.5	176.6	-62.5	-12.7	0	0	0	111.5	D59 T65 S66	D59-D62 PolarHBondContact O-N 3.48Å; D62-T65 PolarHBondContact O-N 2.98Å; D62-S66 WeakPolarHBondContact O-CB 3.36Å; D62-S66 PolarHBondContact O-N 2.97Å; D62-S66 PolarHBondContact O-OG 3.32Å
63	F	97.3	Very high	97.2	Very high	21 Å²	21	68.4 Å²	68.4	9%	0.092	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-44.8	173.8	177.6	-99.3	0	0	0	111.9	L38 D59 V61 T65 S66 H67 V70 V72 V110 A114	L38-F63 HydrophobicContact CD1-CE1 4.39Å; L38-F63 HydrophobicContact CD1-CZ 4.28Å; D59-F63 WeakPolarHBondContact O-CB 3.49Å; D59-F63 PolarHBondContact O-N 2.91Å; V61-F63 VanDerWaalsContact C-N 3.34Å; V61-F63 PolarHBondContact O-N 3.37Å; F63-T65 VanDerWaalsContact C-N 3.32Å; F63-T65 PolarHBondContact O-N 3.03Å; F63-S66 WeakPolarHBondContact CA-OG 3.29Å; F63-S66 PolarHBondContact O-N 2.87Å; F63-S66 PolarHBondContact O-OG 3.48Å; F63-H67 AromaticContact CD2-ND1 3.88Å; F63-H67 AromaticContact CE2-ND1 3.7Å; F63-H67 HydrophobicContact CZ-CB 4.5Å; F63-H67 PolarHBondContact O-N 3.26Å; F63-H67 PolarHBondContact O-ND1 3.02Å; F63-V70 HydrophobicContact CE1-CG1 4.5Å; F63-V72 HydrophobicContact CD1-CG2 4.08Å; F63-V72 HydrophobicContact CE1-CG2 3.92Å; F63-V110 HydrophobicContact CD1-CG1 4.41Å; F63-V110 HydrophobicContact CD2-CG1 3.69Å; F63-V110 HydrophobicContact CE1-CG1 4.21Å; F63-V110 HydrophobicContact CE2-CG1 3.45Å; F63-V110 VanDerWaalsContact CE2-CG1 3.45Å; F63-V110 HydrophobicContact CG-CG1 4.17Å; F63-V110 HydrophobicContact CZ-CG1 3.73Å; F63-A114 HydrophobicContact CE2-CB 4.28Å; F63-A114 HydrophobicContact CZ-CB 4.44Å
64	S	97.1	Very high	97.2	Very high	44 Å²	44	67.3 Å²	67.3	31%	0.308	38%	0.383	S	S	.	.	H	α-helix	trans	-67.8	-34.4	179.9	-54.5	0	0	0	0	112	L60 V61 H67	L60-S64 WeakPolarHBondContact O-CB 3.4Å; L60-S64 PolarHBondContact O-N 3.26Å; L60-S64 PolarHBondContact O-OG 3.26Å; V61-S64 PolarHBondContact O-N 2.88Å; S64-H67 CarbonylContact O-C 3.39Å
65	T	97.4	Very high	97.2	Very high	106 Å²	106	66 Å²	66	65%	0.65	38%	0.376	S	S	*	.	H	α-helix	trans	-70.2	-39.7	176.9	-56.2	0	0	0	0	111.7	V61 D62 F63	V61-T65 WeakPolarHBondContact O-CB 3.49Å; V61-T65 PolarHBondContact O-N 3.18Å; V61-T65 PolarHBondContact O-OG1 3.34Å; D62-T65 PolarHBondContact O-N 2.98Å; F63-T65 VanDerWaalsContact C-N 3.32Å; F63-T65 PolarHBondContact O-N 3.03Å
66	S	97	Very high	97.1	Very high	74 Å²	74	69 Å²	69	52%	0.517	40%	0.397	S	S	.	.	H	α-helix	trans	-72.5	-28.1	176.8	53.1	0	0	0	0	113.5	D62 F63 P68	D62-S66 WeakPolarHBondContact O-CB 3.36Å; D62-S66 PolarHBondContact O-N 2.97Å; D62-S66 PolarHBondContact O-OG 3.32Å; F63-S66 WeakPolarHBondContact CA-OG 3.29Å; F63-S66 PolarHBondContact O-N 2.87Å; F63-S66 PolarHBondContact O-OG 3.48Å; S66-P68 VanDerWaalsContact C-CD 3.48Å; S66-P68 WeakPolarHBondContact O-CD 3.46Å
67	H	96.6	Very high	97	Very high	54 Å²	54	72.4 Å²	72.4	25%	0.25	41%	0.41	C	S	.	.			trans	-124	69.8	-178	-60.9	80	0	0	0	111.7	H33 F63 S64 S69 V70	H33-H67 AromaticContact CE1-CD2 3.71Å; H33-H67 AromaticContact NE2-CD2 3.89Å; F63-H67 AromaticContact CD2-ND1 3.88Å; F63-H67 AromaticContact CE2-ND1 3.7Å; F63-H67 HydrophobicContact CZ-CB 4.5Å; F63-H67 PolarHBondContact O-N 3.26Å; F63-H67 PolarHBondContact O-ND1 3.02Å; S64-H67 CarbonylContact O-C 3.39Å; H67-S69 PolarHBondContact O-N 3.35Å; H67-S69 VanDerWaalsContact O-N 3.09Å; H67-V70 HydrophobicContact CB-CB 4.32Å; H67-V70 HydrophobicContact CB-CG2 3.97Å; H67-V70 PolarHBondContact O-N 2.9Å; H67-V70 VanDerWaalsContact O-N 3.08Å
68	P	97.2	Very high	96.9	Very high	116 Å²	116	75.6 Å²	75.6	75%	0.753	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.8	-176.1	26.7	-35.8	0	0	0	113.8	S66 V70	S66-P68 VanDerWaalsContact C-CD 3.48Å; S66-P68 WeakPolarHBondContact O-CD 3.46Å; P68-V70 VanDerWaalsContact C-N 3.32Å
69	S	95.9	Very high	96.5	Very high	75 Å²	75	76.6 Å²	76.6	52%	0.524	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.6	176.8	55.4	0	0	0	0	114	H67	H67-S69 PolarHBondContact O-N 3.35Å; H67-S69 VanDerWaalsContact O-N 3.09Å
70	V	97.7	Very high	96.2	Very high	10 Å²	10	81.7 Å²	81.7	6%	0.061	43%	0.434	C	S	.	.	S	Bend	trans	-98	120.5	-174.9	-178.2	0	0	0	0	109.7	H33 L35 L38 F63 H67 P68 V72	H33-V70 WeakPolarHBondContact CD2-CG2 3.37Å; L35-V70 HydrophobicContact CB-CG2 4.35Å; L35-V70 HydrophobicContact CD2-CG1 3.84Å; L35-V70 HydrophobicContact CD2-CG2 4.12Å; L35-V70 HydrophobicContact CG-CG1 4.07Å; L35-V70 HydrophobicContact CG-CG2 4.28Å; L38-V70 HydrophobicContact CB-CG1 4.07Å; F63-V70 HydrophobicContact CE1-CG1 4.5Å; H67-V70 HydrophobicContact CB-CB 4.32Å; H67-V70 HydrophobicContact CB-CG2 3.97Å; H67-V70 PolarHBondContact O-N 2.9Å; H67-V70 VanDerWaalsContact O-N 3.08Å; P68-V70 VanDerWaalsContact C-N 3.32Å; V70-V72 HydrophobicContact CG1-CG2 4.3Å; V70-V72 PolarHBondContact O-N 2.93Å
71	A	97.3	Very high	96	Very high	42 Å²	42	88.2 Å²	88.2	35%	0.347	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118	172.4	0	0	0	0	0	110.3	Q36 R37 L38 Y73	Q36-A71 PolarHBondContact O-N 3.33Å; R37-A71 CarbonylContact C-O 3.59Å; R37-A71 VanDerWaalsContact CA-O 3.29Å; R37-A71 WeakPolarHBondContact CA-O 3.39Å; L38-A71 PolarHBondContact N-O 3.41Å; A71-Y73 HydrophobicContact CB-CD2 4.46Å; A71-Y73 HydrophobicContact CB-CE2 3.8Å
72	V	97.8	Very high	96	Very high	40 Å²	40	83.4 Å²	83.4	24%	0.242	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125	-177.9	-175.9	0	0	0	0	110.9	L38 F40 L60 F63 V70	L38-V72 CarbonylContact O-C 3.55Å; L38-V72 WeakPolarHBondContact O-CA 3.1Å; F40-V72 HydrophobicContact CD2-CG1 3.95Å; F40-V72 HydrophobicContact CE2-CG1 3.64Å; L60-V72 HydrophobicContact CD1-CG1 3.66Å; F63-V72 HydrophobicContact CD1-CG2 4.08Å; F63-V72 HydrophobicContact CE1-CG2 3.92Å; V70-V72 HydrophobicContact CG1-CG2 4.3Å; V70-V72 PolarHBondContact O-N 2.93Å
73	Y	97.8	Very high	95.9	Very high	111 Å²	111	84 Å²	84	44%	0.435	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.9	179.1	-71.5	-102.6	0	0	0	110.7	R37 L38 T39 F40 A71	R37-Y73 VanDerWaalsContact CD-CD2 3.48Å; R37-Y73 HydrophobicContact CG-CD2 3.63Å; R37-Y73 HydrophobicContact CG-CE2 3.81Å; L38-Y73 PolarHBondContact O-N 3.37Å; T39-Y73 CarbonylContact C-O 3.58Å; T39-Y73 WeakPolarHBondContact CA-O 3.22Å; F40-Y73 PolarHBondContact N-O 3.49Å; A71-Y73 HydrophobicContact CB-CD2 4.46Å; A71-Y73 HydrophobicContact CB-CE2 3.8Å
74	V	97.3	Very high	95.9	Very high	64 Å²	64	83 Å²	83	39%	0.388	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	108.4	-178.3	179.8	0	0	0	0	108.7	F40 F42 L56 L60	F40-V74 HydrophobicContact CD2-CG2 4.37Å; F42-V74 HydrophobicContact CD1-CG1 4.39Å; F42-V74 HydrophobicContact CE1-CG1 3.45Å; F42-V74 VanDerWaalsContact CE1-CG1 3.45Å; F42-V74 HydrophobicContact CZ-CG1 4.11Å; L56-V74 HydrophobicContact CD1-CG1 3.93Å; L56-V74 HydrophobicContact CD2-CG1 4.2Å; L56-V74 HydrophobicContact CD2-CG2 3.8Å; L60-V74 HydrophobicContact CD2-CG2 3.95Å
75	Q	96.7	Very high	95.9	Very high	70 Å²	70	82.1 Å²	82.1	33%	0.327	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	101.6	-175.5	-65.3	-165.2	3.4	0	0	111.6	T39 F40 F41 F42 K77	T39-Q75 HydrophobicContact CG2-CG 3.98Å; F40-Q75 PolarHBondContact O-N 3.44Å; F41-Q75 VanDerWaalsContact CA-O 3.28Å; F41-Q75 WeakPolarHBondContact CA-O 3.4Å; F41-Q75 HydrophobicContact CD1-CB 3.74Å; F41-Q75 HydrophobicContact CD1-CG 4.45Å; F41-Q75 HydrophobicContact CE1-CB 4.31Å; F41-Q75 HydrophobicContact CG-CB 4.33Å; F42-Q75 PolarHBondContact N-O 2.96Å; Q75-K77 PolarHBondContact O-N 3.09Å
76	P	96.3	Very high	95.9	Very high	68 Å²	68	77 Å²	77	44%	0.442	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.5	173.3	27.9	-32.4	0	0	0	110.4	F42 K44	F42-P76 HydrophobicContact CE1-CB 4.33Å; F42-P76 HydrophobicContact CZ-CB 4.22Å; F42-P76 CarbonylContact O-C 3.51Å; F42-P76 WeakPolarHBondContact O-CA 3.32Å; K44-P76 HydrophobicContact CD-CB 4.46Å; K44-P76 HydrophobicContact CG-CB 4.12Å
77	K	95.3	Very high	95.9	Very high	96 Å²	96	76.1 Å²	76.1	42%	0.417	37%	0.367	S	S	.	.			trans	-120.6	122.4	177	-63.5	-72.4	-177.5	177.6	0	109.9	F41 F42 C43 Q75 K80	F41-K77 HydrophobicContact CB-CG 4.03Å; F41-K77 HydrophobicContact CD1-CG 3.93Å; F42-K77 PolarHBondContact O-N 3.08Å; C43-K77 VanDerWaalsContact CA-O 3.23Å; C43-K77 WeakPolarHBondContact CA-O 3.41Å; C43-K77 WeakPolarHBondContact CB-O 3.08Å; Q75-K77 PolarHBondContact O-N 3.09Å; K77-K80 HydrophobicContact CB-CB 4.04Å; K77-K80 HydrophobicContact CB-CG 4.12Å
78	R	94.1	Very high	95.9	Very high	190 Å²	190	73.6 Å²	73.6	72%	0.717	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	138.7	-180	-160.3	-177.6	174.6	176.3	-5.1	110.6	K80	R78-K80 PolarHBondContact O-N 2.79Å; R78-K80 VanDerWaalsContact O-N 3.07Å
79	F	90.1	Very high	95.8	Very high	158 Å²	158	72.4 Å²	72.4	69%	0.693	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	25.7	176.1	-51.5	-59.8	0	0	0	115.6
80	K	90.5	Very high	95.6	Very high	137 Å²	137	71.1 Å²	71.1	60%	0.596	33%	0.329	S	S	*	.			trans	-110.6	144.2	174.2	-65.9	-62.4	-175.9	-179.9	0	110.5	K77 R78	K77-K80 HydrophobicContact CB-CB 4.04Å; K77-K80 HydrophobicContact CB-CG 4.12Å; R78-K80 PolarHBondContact O-N 2.79Å; R78-K80 VanDerWaalsContact O-N 3.07Å
81	R	93.2	Very high	95.4	Very high	168 Å²	168	74.2 Å²	74.2	63%	0.634	36%	0.363	S	S	*	.			trans	-63.9	142.4	171.3	-66	-179.8	-178.7	173.5	-0	108.9
82	P	96.5	Very high	95.2	Very high	1 Å²	1	77.8 Å²	77.8	1%	0.006	37%	0.368	C	S	.	.			trans	-74.7	139.9	-178	34.4	-37.9	0	0	0	110.8	F41 F42 V52 V98	F41-P82 WeakPolarHBondContact O-CA 3.23Å; F42-P82 HydrophobicContact CB-CB 4.43Å; V52-P82 HydrophobicContact CG2-CB 4.08Å; P82-V98 HydrophobicContact CB-CG2 3.92Å; P82-V98 HydrophobicContact CG-CG2 4.23Å; P82-V98 WeakPolarHBondContact CG-O 3.4Å; P82-V98 PolarHBondContact O-N 3.22Å
83	W	96	Very high	95.1	Very high	119 Å²	119	79.9 Å²	79.9	45%	0.451	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.4	-177.4	57.8	-18.2	0	0	0	109.1	F41 I96	F41-W83 HydrophobicContact CD1-CZ2 4.32Å; F41-W83 AromaticContact CD1-NE1 3.6Å; F41-W83 AromaticContact CD2-CD1 3.19Å; F41-W83 HydrophobicContact CD2-CD2 4.09Å; F41-W83 AromaticContact CD2-CE2 3.53Å; F41-W83 AromaticContact CD2-CG 3.9Å; F41-W83 HydrophobicContact CD2-CG 3.9Å; F41-W83 HydrophobicContact CD2-CZ2 4.2Å; F41-W83 AromaticContact CD2-NE1 2.96Å; F41-W83 HydrophobicContact CE1-CZ2 4.14Å; F41-W83 HydrophobicContact CE2-CD2 4.3Å; F41-W83 AromaticContact CE2-CE2 3.74Å; F41-W83 HydrophobicContact CE2-CZ2 4.03Å; F41-W83 AromaticContact CE2-NE1 3.66Å; F41-W83 AromaticContact CG-CD1 3.44Å; F41-W83 VanDerWaalsContact CG-CD1 3.44Å; F41-W83 AromaticContact CG-CE2 3.79Å; F41-W83 HydrophobicContact CG-CG 4.49Å; F41-W83 HydrophobicContact CG-CZ2 4.35Å; F41-W83 AromaticContact CG-NE1 2.93Å; F41-W83 HydrophobicContact CZ-CZ2 4.01Å; F41-W83 PolarHBondContact N-O 3.21Å; F41-W83 PolarHBondContact O-N 2.97Å; F41-W83 VanDerWaalsContact O-N 3.09Å; W83-I96 VanDerWaalsContact CA-O 3.32Å; W83-I96 WeakPolarHBondContact CA-O 3.46Å
84	I	96.9	Very high	94.8	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.8	174.3	-58.5	176.4	0	0	0	106.6	L38 T39 F40 S95 I96 V98 V106 V110	L38-I84 HydrophobicContact CD1-CG2 4.34Å; L38-I84 HydrophobicContact CD2-CG2 3.61Å; L38-I84 HydrophobicContact CG-CG2 3.9Å; T39-I84 WeakPolarHBondContact O-CA 3.44Å; F40-I84 HydrophobicContact CD1-CD1 4.02Å; F40-I84 HydrophobicContact CD1-CG1 3.79Å; F40-I84 HydrophobicContact CE1-CD1 3.72Å; F40-I84 HydrophobicContact CE1-CG1 3.99Å; F40-I84 HydrophobicContact CE1-CG2 4.46Å; I84-S95 CarbonylContact O-C 3.52Å; I84-S95 VanDerWaalsContact O-CA 3.23Å; I84-S95 WeakPolarHBondContact O-CA 3.38Å; I84-I96 PolarHBondContact N-O 3.1Å; I84-I96 PolarHBondContact O-N 2.99Å; I84-V98 HydrophobicContact CD1-CG1 3.73Å; I84-V98 HydrophobicContact CD1-CG2 4.32Å; I84-V98 HydrophobicContact CG1-CG1 4.07Å; I84-V98 HydrophobicContact CG1-CG2 4.03Å; I84-V106 HydrophobicContact CD1-CG1 4.37Å; I84-V110 HydrophobicContact CD1-CG2 3.91Å
85	C	96.5	Very high	94.7	Very high	25 Å²	25	75.7 Å²	75.7	17%	0.169	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.3	174.6	-171.6	0	0	0	0	109.2	L38 T39 F41	L38-C85 WeakPolarHBondContact CA-O 3.29Å; T39-C85 PolarHBondContact N-O 3.4Å; T39-C85 PolarHBondContact O-N 2.88Å; F41-C85 HydrophobicContact CE2-CB 3.88Å
86	G	97	Very high	94.6	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132	173.6	0	0	0	0	0	110.7	R37 S93 A94 M113	R37-G86 CarbonylContact O-C 3.59Å; R37-G86 WeakPolarHBondContact O-CA 3.34Å; G86-S93 CarbonylContact O-C 3.58Å; G86-S93 VanDerWaalsContact O-CA 3.26Å; G86-S93 WeakPolarHBondContact O-CA 3.43Å; G86-A94 PolarHBondContact N-O 2.99Å; G86-A94 PolarHBondContact O-N 2.7Å; G86-M113 VanDerWaalsContact CA-CE 3.47Å
87	E	97.1	Very high	94.5	Very high	54 Å²	54	71.5 Å²	71.5	25%	0.252	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.6	174.5	-65.5	172.4	-167	0	0	109.3	Q36 R37	Q36-E87 PolarHBondContact N-O 3.43Å; R37-E87 HydrophobicContact CB-CB 4.31Å; R37-E87 IonicContact CZ-OE1 3.26Å; R37-E87 VanDerWaalsContact CZ-OE1 3.3Å; R37-E87 IonicContact CZ-OE2 2.68Å; R37-E87 PolarHBondContact N-O 3.03Å; R37-E87 VanDerWaalsContact NE-CD 3.25Å; R37-E87 IonicContact NE-OE1 3.67Å; R37-E87 PolarHBondContact NE-OE1 3.47Å; R37-E87 IonicContact NE-OE2 3.67Å; R37-E87 PolarHBondContact NE-OE2 2.87Å; R37-E87 IonicContact NH2-OE1 3.11Å; R37-E87 PolarHBondContact NH2-OE1 2.81Å; R37-E87 IonicContact NH2-OE2 3.24Å; R37-E87 PolarHBondContact NH2-OE2 3.22Å; R37-E87 PolarHBondContact O-N 3.47Å
88	Y	96.8	Very high	94.5	Very high	2 Å²	2	67 Å²	67	1%	0.008	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	156.3	-173.6	-61.4	-85.4	0	0	0	111.1	P34 L35 N90 G91 R92 A94 M113 R116 G118	P34-Y88 HydrophobicContact CB-CD1 4.34Å; P34-Y88 CarbonylContact O-C 3.54Å; P34-Y88 VanDerWaalsContact O-CA 3.25Å; P34-Y88 WeakPolarHBondContact O-CA 3.27Å; L35-Y88 HydrophobicContact CB-CD1 4.28Å; L35-Y88 HydrophobicContact CB-CE1 4.15Å; L35-Y88 HydrophobicContact CD1-CD1 4.22Å; L35-Y88 HydrophobicContact CD1-CE1 3.84Å; Y88-N90 WeakPolarHBondContact CB-OD1 3.46Å; Y88-N90 PolarHBondContact O-N 3.04Å; Y88-G91 PolarHBondContact O-N 3.47Å; Y88-R92 WeakPolarHBondContact CD2-O 3.17Å; Y88-R92 PolarHBondContact N-O 3.22Å; Y88-A94 HydrophobicContact CE2-CB 3.85Å; Y88-M113 WeakPolarHBondContact CE1-O 3.38Å; Y88-M113 HydrophobicContact CE2-CE 4.35Å; Y88-M113 WeakPolarHBondContact OH-CE 3.26Å; Y88-M113 PolarHBondContact OH-O 3.16Å; Y88-R116 HydrophobicContact CE1-CB 4.04Å; Y88-R116 HydrophobicContact CE1-CG 4.45Å; Y88-R116 WeakPolarHBondContact CE1-O 3.42Å; Y88-G118 VanDerWaalsContact CD2-CA 3.42Å
89	L	94.6	Very high	94.6	Very high	90 Å²	90	60.2 Å²	60.2	47%	0.471	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22	-178.5	-68.4	177.7	0	0	0	114.4	I32 H33 P34 Q36 G91	I32-L89 HydrophobicContact CG2-CD1 3.72Å; H33-L89 WeakPolarHBondContact O-CD1 3.25Å; P34-L89 WeakPolarHBondContact O-CG 3.4Å; P34-L89 PolarHBondContact O-N 3.27Å; Q36-L89 HydrophobicContact CB-CD2 4.18Å; Q36-L89 HydrophobicContact CG-CD2 4.49Å; L89-G91 PolarHBondContact O-N 3.15Å
90	N	92.3	Very high	94.8	Very high	48 Å²	48	54.2 Å²	54.2	26%	0.257	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	5.5	175.4	68.5	-3.7	0	0	0	113.6	V23 Y88 R92 G118	V23-N90 HydrophobicContact CG1-CB 4.3Å; V23-N90 HydrophobicContact CG2-CB 4.23Å; Y88-N90 WeakPolarHBondContact CB-OD1 3.46Å; Y88-N90 PolarHBondContact O-N 3.04Å; N90-R92 VanDerWaalsContact C-N 3.26Å; N90-R92 PolarHBondContact O-N 3.18Å; N90-R92 VanDerWaalsContact OD1-CB 3.29Å; N90-R92 WeakPolarHBondContact OD1-CB 3.44Å; N90-R92 PolarHBondContact OD1-N 3.11Å; N90-G118 PolarHBondContact ND2-O 3.41Å
91	G	93.3	Very high	95	Very high	75 Å²	75	48.5 Å²	48.5	77%	0.773	27%	0.271	S	S	*	.	S	Bend	trans	79.5	0.6	-177.9	0	0	0	0	0	114.4	Y88 L89	Y88-G91 PolarHBondContact O-N 3.47Å; L89-G91 PolarHBondContact O-N 3.15Å
92	R	93.7	Very high	95.2	Very high	118 Å²	118	43.2 Å²	43.2	45%	0.445	26%	0.26	S	S	.	.			trans	-87.3	149.2	176.3	-64.8	-178.3	166.7	141	-4.3	110.6	Y88 N90 G118 F119	Y88-R92 WeakPolarHBondContact CD2-O 3.17Å; Y88-R92 PolarHBondContact N-O 3.22Å; N90-R92 VanDerWaalsContact C-N 3.26Å; N90-R92 PolarHBondContact O-N 3.18Å; N90-R92 VanDerWaalsContact OD1-CB 3.29Å; N90-R92 WeakPolarHBondContact OD1-CB 3.44Å; N90-R92 PolarHBondContact OD1-N 3.11Å; R92-G118 WeakPolarHBondContact CB-O 3.48Å; R92-G118 WeakPolarHBondContact CD-O 3.39Å; R92-F119 VanDerWaalsContact NH1-CD1 3.27Å
93	S	94.6	Very high	95.2	Very high	84 Å²	84	44.9 Å²	44.9	59%	0.587	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.1	171.4	58.9	0	0	0	0	110.4	G86	G86-S93 CarbonylContact O-C 3.58Å; G86-S93 VanDerWaalsContact O-CA 3.26Å; G86-S93 WeakPolarHBondContact O-CA 3.43Å
94	A	93.2	Very high	95.3	Very high	21 Å²	21	41.4 Å²	41.4	17%	0.174	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.5	166.3	0	0	0	0	0	110	G86 Y88 M113	G86-A94 PolarHBondContact N-O 2.99Å; G86-A94 PolarHBondContact O-N 2.7Å; Y88-A94 HydrophobicContact CE2-CB 3.85Å; A94-M113 HydrophobicContact CB-CE 4.09Å; A94-M113 HydrophobicContact CB-SD 4.42Å; A94-M113 VanDerWaalsContact O-CE 3.28Å; A94-M113 WeakPolarHBondContact O-CE 3.49Å
95	S	94.2	Very high	95.4	Very high	66 Å²	66	43.5 Å²	43.5	46%	0.462	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.8	174.9	57.4	0	0	0	0	110.7	I84	I84-S95 CarbonylContact O-C 3.52Å; I84-S95 VanDerWaalsContact O-CA 3.23Å; I84-S95 WeakPolarHBondContact O-CA 3.38Å
96	I	94.7	Very high	95.4	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.5	175	-61.1	-177.6	0	0	0	107.9	W83 I84 V98 Y112 M113	W83-I96 VanDerWaalsContact CA-O 3.32Å; W83-I96 WeakPolarHBondContact CA-O 3.46Å; I84-I96 PolarHBondContact N-O 3.1Å; I84-I96 PolarHBondContact O-N 2.99Å; I96-V98 HydrophobicContact CG2-CG1 4.2Å; I96-Y112 HydrophobicContact CD1-CD1 3.59Å; I96-Y112 HydrophobicContact CD1-CE1 3.88Å; I96-M113 HydrophobicContact CD1-CG 3.66Å; I96-M113 HydrophobicContact CD1-SD 3.4Å; I96-M113 WeakPolarHBondContact CD1-SD 3.43Å; I96-M113 HydrophobicContact CG1-CG 4.41Å; I96-M113 HydrophobicContact CG1-SD 3.79Å
97	S	94.7	Very high	95.4	Very high	43 Å²	43	47 Å²	47	30%	0.301	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	125	169.4	-179	0	0	0	0	108.9	F101	S97-F101 WeakPolarHBondContact O-CZ 3.42Å
98	V	94.9	Very high	95.4	Very high	1 Å²	1	51 Å²	51	1%	0.006	31%	0.307	C	S	.	.			trans	-115.3	36.1	179.5	-68.7	0	0	0	0	110.6	V52 P82 I84 I96 G100 F101 A109	V52-V98 HydrophobicContact CG2-CB 4.32Å; V52-V98 HydrophobicContact CG2-CG2 3.55Å; P82-V98 HydrophobicContact CB-CG2 3.92Å; P82-V98 HydrophobicContact CG-CG2 4.23Å; P82-V98 WeakPolarHBondContact CG-O 3.4Å; P82-V98 PolarHBondContact O-N 3.22Å; I84-V98 HydrophobicContact CD1-CG1 3.73Å; I84-V98 HydrophobicContact CD1-CG2 4.32Å; I84-V98 HydrophobicContact CG1-CG1 4.07Å; I84-V98 HydrophobicContact CG1-CG2 4.03Å; I96-V98 HydrophobicContact CG2-CG1 4.2Å; V98-G100 PolarHBondContact O-N 3.48Å; V98-F101 HydrophobicContact CB-CB 4.31Å; V98-F101 HydrophobicContact CB-CD2 3.89Å; V98-F101 HydrophobicContact CB-CE2 4.35Å; V98-F101 HydrophobicContact CB-CG 4.01Å; V98-F101 HydrophobicContact CG1-CD2 3.76Å; V98-F101 HydrophobicContact CG1-CE2 3.92Å; V98-F101 HydrophobicContact CG1-CG 4.4Å; V98-F101 PolarHBondContact O-N 3.24Å; V98-A109 HydrophobicContact CG1-CB 4.18Å
99	N	95.1	Very high	95.4	Very high	48 Å²	48	51.2 Å²	51.2	26%	0.257	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	114	-175.3	-171.7	39.8	0	0	0	111.4	N48 F101	N48-N99 WeakPolarHBondContact CB-OD1 3.21Å; N48-N99 VanDerWaalsContact CG-OD1 3.24Å; N48-N99 PolarHBondContact ND2-OD1 2.78Å; N99-F101 VanDerWaalsContact C-N 3.29Å; N99-F101 PolarHBondContact O-N 3.49Å
100	G	94.5	Very high	95.5	Very high	32 Å²	32	47 Å²	47	33%	0.33	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	28.3	-179	0	0	0	0	0	113.2	K5 N48 V98	K5-G100 PolarHBondContact NZ-O 3.34Å; N48-G100 PolarHBondContact O-N 2.97Å; V98-G100 PolarHBondContact O-N 3.48Å
101	F	96.3	Very high	95.7	Very high	16 Å²	16	48.3 Å²	48.3	7%	0.07	30%	0.3	C	S	.	.			trans	-78.9	144.9	174.5	-80.3	29	0	0	0	110.2	K5 G51 S97 V98 N99 E105 V106	K5-F101 HydrophobicContact CB-CE1 3.95Å; K5-F101 HydrophobicContact CB-CZ 4.43Å; K5-F101 HydrophobicContact CD-CD1 3.99Å; K5-F101 HydrophobicContact CD-CE1 3.82Å; K5-F101 HydrophobicContact CG-CE1 4.48Å; G51-F101 WeakPolarHBondContact CA-O 3.47Å; S97-F101 WeakPolarHBondContact O-CZ 3.42Å; V98-F101 HydrophobicContact CB-CB 4.31Å; V98-F101 HydrophobicContact CB-CD2 3.89Å; V98-F101 HydrophobicContact CB-CE2 4.35Å; V98-F101 HydrophobicContact CB-CG 4.01Å; V98-F101 HydrophobicContact CG1-CD2 3.76Å; V98-F101 HydrophobicContact CG1-CE2 3.92Å; V98-F101 HydrophobicContact CG1-CG 4.4Å; V98-F101 PolarHBondContact O-N 3.24Å; N99-F101 VanDerWaalsContact C-N 3.29Å; N99-F101 PolarHBondContact O-N 3.49Å; F101-E105 VanDerWaalsContact CA-OE2 3.22Å; F101-E105 WeakPolarHBondContact CA-OE2 3.39Å; F101-E105 HydrophobicContact CB-CB 3.92Å; F101-E105 HydrophobicContact CD2-CB 3.79Å; F101-E105 HydrophobicContact CG-CB 4.01Å; F101-V106 HydrophobicContact CB-CG2 3.71Å
102	S	97.1	Very high	95.9	Very high	57 Å²	57	49.3 Å²	49.3	40%	0.399	28%	0.281	S	S	.	.			trans	-72.5	165.6	166.9	76.9	0	0	0	0	110.8	A104 E105 V106	S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.37Å; S102-E105 PolarHBondContact N-OE2 3.11Å; S102-E105 PolarHBondContact O-N 3.49Å; S102-E105 WeakPolarHBondContact OG-CG 3.34Å; S102-E105 PolarHBondContact OG-N 3.35Å; S102-V106 WeakPolarHBondContact O-CG2 3.44Å; S102-V106 PolarHBondContact O-N 3.1Å
103	H	96.9	Very high	96	Very high	36 Å²	36	43.7 Å²	43.7	17%	0.167	26%	0.26	C	S	.	.	H	α-helix	trans	-49.7	-49.6	173.7	176.8	-88.5	0	0	0	112.8	Q54 F55 D59 E105 V106 Q107	Q54-H103 HydrophobicContact CB-CB 4.45Å; F55-H103 PolarHBondContact N-CD2 2.9Å; D59-H103 IonicContact OD1-CE1 2.79Å; D59-H103 IonicContact OD1-NE2 3.05Å; D59-H103 IonicContact OD2-CE1 3.3Å; D59-H103 PolarHBondContact OD2-CE1 2.98Å; D59-H103 IonicContact OD2-NE2 2.63Å; D59-H103 PolarHBondContact OD2-NE2 3.37Å; H103-E105 PolarHBondContact O-N 2.92Å; H103-V106 PolarHBondContact O-N 3.44Å; H103-Q107 PolarHBondContact O-N 2.93Å
104	A	97.6	Very high	96.1	Very high	47 Å²	47	40 Å²	40	39%	0.388	23%	0.234	S	C	.	.	H	α-helix	trans	-65.9	-38	-179.9	0	0	0	0	0	112.5	S102 V106 Q107 Q108	S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.37Å; A104-V106 VanDerWaalsContact C-N 3.32Å; A104-V106 PolarHBondContact O-N 2.95Å; A104-Q107 PolarHBondContact O-N 3.48Å; A104-Q108 WeakPolarHBondContact O-CG 3.46Å; A104-Q108 PolarHBondContact O-N 2.87Å
105	E	97.5	Very high	96.1	Very high	43 Å²	43	43.4 Å²	43.4	20%	0.201	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-37.2	174.9	-71.2	176.2	154.5	0	0	111.3	K5 F101 S102 H103 A109	K5-E105 IonicContact NZ-OE1 2.93Å; K5-E105 IonicContact NZ-OE2 3.71Å; K5-E105 PolarHBondContact NZ-OE2 2.96Å; K5-E105 VanDerWaalsContact NZ-OE2 3.11Å; F101-E105 VanDerWaalsContact CA-OE2 3.22Å; F101-E105 WeakPolarHBondContact CA-OE2 3.39Å; F101-E105 HydrophobicContact CB-CB 3.92Å; F101-E105 HydrophobicContact CD2-CB 3.79Å; F101-E105 HydrophobicContact CG-CB 4.01Å; S102-E105 PolarHBondContact N-OE2 3.11Å; S102-E105 PolarHBondContact O-N 3.49Å; S102-E105 WeakPolarHBondContact OG-CG 3.34Å; S102-E105 PolarHBondContact OG-N 3.35Å; H103-E105 PolarHBondContact O-N 2.92Å; E105-A109 WeakPolarHBondContact O-CB 3.45Å; E105-A109 PolarHBondContact O-N 2.89Å
106	V	97.5	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-44.6	174.3	176.1	0	0	0	0	111	V52 F55 I84 F101 S102 H103 A104 Q108 A109 V110	V52-V106 HydrophobicContact CG2-CG1 4.48Å; V52-V106 HydrophobicContact CG2-CG2 3.93Å; F55-V106 HydrophobicContact CB-CB 4.36Å; F55-V106 HydrophobicContact CB-CG1 3.85Å; F55-V106 HydrophobicContact CD1-CG1 4.06Å; F55-V106 HydrophobicContact CD2-CG1 4.22Å; F55-V106 HydrophobicContact CG-CG1 3.76Å; I84-V106 HydrophobicContact CD1-CG1 4.37Å; F101-V106 HydrophobicContact CB-CG2 3.71Å; S102-V106 WeakPolarHBondContact O-CG2 3.44Å; S102-V106 PolarHBondContact O-N 3.1Å; H103-V106 PolarHBondContact O-N 3.44Å; A104-V106 VanDerWaalsContact C-N 3.32Å; A104-V106 PolarHBondContact O-N 2.95Å; V106-Q108 VanDerWaalsContact C-N 3.31Å; V106-Q108 PolarHBondContact O-N 3.48Å; V106-A109 WeakPolarHBondContact O-CB 3.23Å; V106-A109 PolarHBondContact O-N 3.4Å; V106-A109 VanDerWaalsContact O-N 3.1Å; V106-V110 HydrophobicContact CG1-CG2 4.37Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 2.98Å
107	Q	97.3	Very high	96	Very high	98 Å²	98	43.9 Å²	43.9	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-43.2	176.6	-171.3	-176.5	10.7	0	0	111.6	F55 H103 A104 V110 S111	F55-Q107 HydrophobicContact CD2-CB 4.27Å; F55-Q107 HydrophobicContact CE2-CB 4.2Å; F55-Q107 HydrophobicContact CE2-CG 4.3Å; H103-Q107 PolarHBondContact O-N 2.93Å; A104-Q107 PolarHBondContact O-N 3.48Å; Q107-V110 PolarHBondContact O-N 2.93Å; Q107-S111 WeakPolarHBondContact O-CB 3.49Å; Q107-S111 PolarHBondContact O-N 3.42Å
108	Q	97.3	Very high	95.9	Very high	139 Å²	139	42.1 Å²	42.1	65%	0.65	24%	0.243	S	C	*	.	H	α-helix	trans	-62.3	-42.2	173.5	-72.2	174.6	4.5	0	0	112	A104 V106 V110 S111 Y112	A104-Q108 WeakPolarHBondContact O-CG 3.46Å; A104-Q108 PolarHBondContact O-N 2.87Å; V106-Q108 VanDerWaalsContact C-N 3.31Å; V106-Q108 PolarHBondContact O-N 3.48Å; Q108-V110 VanDerWaalsContact C-N 3.35Å; Q108-V110 PolarHBondContact O-N 3.34Å; Q108-S111 PolarHBondContact O-N 3.47Å; Q108-Y112 VanDerWaalsContact O-CB 3.23Å; Q108-Y112 WeakPolarHBondContact O-CB 3.5Å; Q108-Y112 PolarHBondContact O-N 2.99Å
109	A	96.5	Very high	95.8	Very high	6 Å²	6	45 Å²	45	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-38.8	177	0	0	0	0	0	112.3	V98 E105 V106 Y112 M113	V98-A109 HydrophobicContact CG1-CB 4.18Å; E105-A109 WeakPolarHBondContact O-CB 3.45Å; E105-A109 PolarHBondContact O-N 2.89Å; V106-A109 WeakPolarHBondContact O-CB 3.23Å; V106-A109 PolarHBondContact O-N 3.4Å; V106-A109 VanDerWaalsContact O-N 3.1Å; A109-Y112 PolarHBondContact O-N 2.77Å; A109-M113 VanDerWaalsContact O-CG 3.27Å; A109-M113 WeakPolarHBondContact O-CG 3.24Å; A109-M113 PolarHBondContact O-N 3.02Å
110	V	97.2	Very high	95.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-47.5	176	172.8	0	0	0	0	110.9	L38 F40 F55 F63 I84 V106 Q107 Q108 Y112 M113 A114	L38-V110 HydrophobicContact CD1-CG1 4.13Å; F40-V110 HydrophobicContact CE1-CG2 3.68Å; F40-V110 HydrophobicContact CZ-CG2 3.76Å; F55-V110 HydrophobicContact CE1-CG2 4Å; F55-V110 HydrophobicContact CE2-CG2 4.48Å; F55-V110 HydrophobicContact CZ-CB 4.23Å; F55-V110 HydrophobicContact CZ-CG1 4.14Å; F55-V110 HydrophobicContact CZ-CG2 3.89Å; F63-V110 HydrophobicContact CD1-CG1 4.41Å; F63-V110 HydrophobicContact CD2-CG1 3.69Å; F63-V110 HydrophobicContact CE1-CG1 4.21Å; F63-V110 HydrophobicContact CE2-CG1 3.45Å; F63-V110 VanDerWaalsContact CE2-CG1 3.45Å; F63-V110 HydrophobicContact CG-CG1 4.17Å; F63-V110 HydrophobicContact CZ-CG1 3.73Å; I84-V110 HydrophobicContact CD1-CG2 3.91Å; V106-V110 HydrophobicContact CG1-CG2 4.37Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 2.98Å; Q107-V110 PolarHBondContact O-N 2.93Å; Q108-V110 VanDerWaalsContact C-N 3.35Å; Q108-V110 PolarHBondContact O-N 3.34Å; V110-Y112 VanDerWaalsContact C-N 3.28Å; V110-Y112 PolarHBondContact O-N 2.92Å; V110-M113 PolarHBondContact O-N 3.44Å; V110-M113 VanDerWaalsContact O-N 3.1Å; V110-A114 PolarHBondContact O-N 3.27Å
111	S	96.6	Very high	95.2	Very high	76 Å²	76	47.3 Å²	47.3	53%	0.531	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-39.9	175.3	178.6	0	0	0	0	112.1	Q107 Q108 M113 A114 S115	Q107-S111 WeakPolarHBondContact O-CB 3.49Å; Q107-S111 PolarHBondContact O-N 3.42Å; Q108-S111 PolarHBondContact O-N 3.47Å; S111-M113 PolarHBondContact O-N 2.97Å; S111-A114 PolarHBondContact O-N 3.04Å; S111-S115 WeakPolarHBondContact O-CB 3.46Å; S111-S115 PolarHBondContact O-N 3.26Å; S111-S115 PolarHBondContact O-OG 2.9Å
112	Y	96.3	Very high	94.9	Very high	95 Å²	95	48.4 Å²	48.4	37%	0.373	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-40.6	174	176.8	-110.6	0	0	0	112.8	I96 Q108 A109 V110 S115 R116	I96-Y112 HydrophobicContact CD1-CD1 3.59Å; I96-Y112 HydrophobicContact CD1-CE1 3.88Å; Q108-Y112 VanDerWaalsContact O-CB 3.23Å; Q108-Y112 WeakPolarHBondContact O-CB 3.5Å; Q108-Y112 PolarHBondContact O-N 2.99Å; A109-Y112 PolarHBondContact O-N 2.77Å; V110-Y112 VanDerWaalsContact C-N 3.28Å; V110-Y112 PolarHBondContact O-N 2.92Å; Y112-S115 WeakPolarHBondContact CA-OG 3.1Å; Y112-S115 PolarHBondContact O-OG 2.95Å; Y112-S115 VanDerWaalsContact O-OG 3.11Å; Y112-R116 PolarHBondContact O-N 3.38Å; Y112-R116 PolarHBondContact OH-NH2 3.21Å
113	M	95.8	Very high	94.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.9	-37.8	176.5	-73.6	-66	-69.7	0	0	112.3	L38 G86 Y88 A94 I96 A109 V110 S111	L38-M113 HydrophobicContact CD1-CB 4.44Å; G86-M113 VanDerWaalsContact CA-CE 3.47Å; Y88-M113 WeakPolarHBondContact CE1-O 3.38Å; Y88-M113 HydrophobicContact CE2-CE 4.35Å; Y88-M113 WeakPolarHBondContact OH-CE 3.26Å; Y88-M113 PolarHBondContact OH-O 3.16Å; A94-M113 HydrophobicContact CB-CE 4.09Å; A94-M113 HydrophobicContact CB-SD 4.42Å; A94-M113 VanDerWaalsContact O-CE 3.28Å; A94-M113 WeakPolarHBondContact O-CE 3.49Å; I96-M113 HydrophobicContact CD1-CG 3.66Å; I96-M113 HydrophobicContact CD1-SD 3.4Å; I96-M113 WeakPolarHBondContact CD1-SD 3.43Å; I96-M113 HydrophobicContact CG1-CG 4.41Å; I96-M113 HydrophobicContact CG1-SD 3.79Å; A109-M113 VanDerWaalsContact O-CG 3.27Å; A109-M113 WeakPolarHBondContact O-CG 3.24Å; A109-M113 PolarHBondContact O-N 3.02Å; V110-M113 PolarHBondContact O-N 3.44Å; V110-M113 VanDerWaalsContact O-N 3.1Å; S111-M113 PolarHBondContact O-N 2.97Å
114	A	96	Very high	94.5	Very high	6 Å²	6	56.3 Å²	56.3	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-68.7	-37.9	177.3	0	0	0	0	0	112.9	H33 L35 F63 V110 S111 R116	H33-A114 PolarHBondContact CE1-O 3.38Å; H33-A114 PolarHBondContact NE2-O 3.14Å; L35-A114 HydrophobicContact CD2-CB 4.3Å; F63-A114 HydrophobicContact CE2-CB 4.28Å; F63-A114 HydrophobicContact CZ-CB 4.44Å; V110-A114 PolarHBondContact O-N 3.27Å; S111-A114 PolarHBondContact O-N 3.04Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.13Å
115	S	94.8	Very high	94.2	Very high	94 Å²	94	59.6 Å²	59.6	66%	0.657	30%	0.298	S	S	*	.	H	α-helix	trans	-76.4	-12.1	178.4	53.4	0	0	0	0	114.3	S111 Y112	S111-S115 WeakPolarHBondContact O-CB 3.46Å; S111-S115 PolarHBondContact O-N 3.26Å; S111-S115 PolarHBondContact O-OG 2.9Å; Y112-S115 WeakPolarHBondContact CA-OG 3.1Å; Y112-S115 PolarHBondContact O-OG 2.95Å; Y112-S115 VanDerWaalsContact O-OG 3.11Å
116	R	93.7	Very high	94	Very high	38 Å²	38	62 Å²	62	14%	0.143	31%	0.309	C	S	.	.			trans	-81.8	149.2	-177.2	-170	-174.7	-86.7	173.9	-20.2	111.9	Y88 Y112 A114	Y88-R116 HydrophobicContact CE1-CB 4.04Å; Y88-R116 HydrophobicContact CE1-CG 4.45Å; Y88-R116 WeakPolarHBondContact CE1-O 3.42Å; Y112-R116 PolarHBondContact O-N 3.38Å; Y112-R116 PolarHBondContact OH-NH2 3.21Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.13Å
117	S	92.9	Very high	93.8	Very high	44 Å²	44	67.8 Å²	67.8	31%	0.308	35%	0.347	S	S	.	.			trans	-91.2	-7.4	179.4	57.2	0	0	0	0	115.5	V23 F119	V23-S117 WeakPolarHBondContact CG2-O 3.48Å; S117-F119 WeakPolarHBondContact OG-CD2 3.25Å
118	G	92.1	Very high	93.7	Very high	6 Å²	6	70 Å²	70	6%	0.062	36%	0.357	C	S	.	.	S	Bend	trans	83	0.4	-173.8	0	0	0	0	0	115.3	Y88 N90 R92	Y88-G118 VanDerWaalsContact CD2-CA 3.42Å; N90-G118 PolarHBondContact ND2-O 3.41Å; R92-G118 WeakPolarHBondContact CB-O 3.48Å; R92-G118 WeakPolarHBondContact CD-O 3.39Å
119	F	91.9	Very high	93.5	Very high	63 Å²	63	66.9 Å²	66.9	28%	0.276	35%	0.348	S	S	.	.			trans	-68.6	150.5	168.9	-76.1	-71.9	0	0	0	111.2	K21 V23 R92 S117	K21-F119 HydrophobicContact CB-CE1 4.47Å; K21-F119 HydrophobicContact CB-CE2 4.42Å; K21-F119 HydrophobicContact CB-CZ 4.08Å; K21-F119 WeakPolarHBondContact O-CD2 3.12Å; K21-F119 WeakPolarHBondContact O-CE2 3.36Å; V23-F119 HydrophobicContact CB-CE2 4.44Å; V23-F119 HydrophobicContact CG2-CD2 4.17Å; V23-F119 HydrophobicContact CG2-CE2 3.48Å; V23-F119 VanDerWaalsContact CG2-CE2 3.48Å; V23-F119 HydrophobicContact CG2-CZ 3.96Å; R92-F119 VanDerWaalsContact NH1-CD1 3.27Å; S117-F119 WeakPolarHBondContact OG-CD2 3.25Å
120	P	89.2	Confident	93.4	Very high	50 Å²	50	70.9 Å²	70.9	33%	0.325	37%	0.372	S	S	.	.			trans	-63.3	145.1	175.2	28.9	-36.3	0	0	0	110.1	I122	P120-I122 HydrophobicContact CB-CG2 3.89Å; P120-I122 HydrophobicContact CG-CG2 3.89Å; P120-I122 PolarHBondContact O-N 3.42Å
121	I	89.6	Confident	93.2	Very high	78 Å²	78	77.4 Å²	77.4	40%	0.4	40%	0.402	S	S	.	.			trans	-74.7	110.2	170.9	-52.9	167.1	0	0	0	106.7	I11 A13	I11-I121 HydrophobicContact CD1-CD1 4.3Å; A13-I121 WeakPolarHBondContact CB-O 3.4Å
122	I	90	Very high	93.1	Very high	38 Å²	38	83.9 Å²	83.9	20%	0.195	42%	0.415	C	S	.	.			trans	-133.6	163.5	-176.1	63.4	177.7	0	0	0	109.4	L16 P120 F124	L16-I122 HydrophobicContact CB-CB 4.19Å; L16-I122 HydrophobicContact CB-CG2 3.51Å; L16-I122 HydrophobicContact CD1-CG2 4.28Å; L16-I122 WeakPolarHBondContact O-CB 3.39Å; P120-I122 HydrophobicContact CB-CG2 3.89Å; P120-I122 HydrophobicContact CG-CG2 3.89Å; P120-I122 PolarHBondContact O-N 3.42Å; I122-F124 HydrophobicContact CD1-CD1 4.49Å; I122-F124 HydrophobicContact CD1-CE1 4.28Å; I122-F124 HydrophobicContact CG1-CD1 4.14Å; I122-F124 HydrophobicContact CG1-CE1 3.92Å; I122-F124 PolarHBondContact O-N 3.26Å
123	Y	90.9	Very high	93	Very high	160 Å²	160	83.6 Å²	83.6	63%	0.627	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	125.3	168	175.9	-105.5	0	0	0	109.8	L16 S17 G18	L16-Y123 PolarHBondContact O-N 2.82Å; L16-Y123 VanDerWaalsContact O-N 3.15Å; S17-Y123 VanDerWaalsContact CA-O 3.25Å; S17-Y123 WeakPolarHBondContact CA-O 3.5Å; G18-Y123 PolarHBondContact N-O 3.24Å
124	F	92.9	Very high	93.1	Very high	100 Å²	100	85.9 Å²	85.9	44%	0.439	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.7	171.8	-65.2	-44.8	0	0	0	109.8	G18 P20 I122 E126	G18-F124 WeakPolarHBondContact O-CA 3.23Å; P20-F124 HydrophobicContact CB-CE1 4.49Å; I122-F124 HydrophobicContact CD1-CD1 4.49Å; I122-F124 HydrophobicContact CD1-CE1 4.28Å; I122-F124 HydrophobicContact CG1-CD1 4.14Å; I122-F124 HydrophobicContact CG1-CE1 3.92Å; I122-F124 PolarHBondContact O-N 3.26Å; F124-E126 VanDerWaalsContact C-N 3.28Å
125	K	92.5	Very high	93.1	Very high	115 Å²	115	93.8 Å²	93.8	50%	0.5	48%	0.478	S	S	.	.	S	Bend	trans	-65	-38.7	175.4	-65.3	-173.8	179.1	-175.7	0	111.2	S17 G18 Y19	S17-K125 WeakPolarHBondContact OG-CE 3.39Å; G18-K125 PolarHBondContact O-N 2.63Å; Y19-K125 HydrophobicContact CE1-CB 4.05Å; Y19-K125 HydrophobicContact CE2-CD 4.31Å
126	E	94.2	Very high	93.2	Very high	95 Å²	95	98.3 Å²	98.3	44%	0.444	49%	0.489	S	S	.	.	S	Bend	trans	-134.3	141.8	175.6	-71.3	166.4	-144.4	0	0	109	Y19 P20 F124 Q128	Y19-E126 HydrophobicContact CD1-CB 4.14Å; Y19-E126 HydrophobicContact CE1-CB 4.1Å; Y19-E126 HydrophobicContact CE1-CG 4.13Å; P20-E126 WeakPolarHBondContact CD-O 3.17Å; F124-E126 VanDerWaalsContact C-N 3.28Å; E126-Q128 PolarHBondContact O-N 3.22Å
127	P	93.3	Very high	93.2	Very high	121 Å²	121	98 Å²	98	79%	0.786	50%	0.498	S	S	*	.	S	Bend	trans	-75.5	-7.9	-179.6	31.5	-36.1	0	0	0	113.4
128	Q	93.4	Very high	93.4	Very high	143 Å²	143	102.5 Å²	102.5	67%	0.668	51%	0.512	S	S	*	.			trans	-126.2	156.9	-175.2	60.3	-175.3	-21.2	0	0	111.7	E126	E126-Q128 PolarHBondContact O-N 3.22Å
129	T	93.6	Very high	93.6	Very high	75 Å²	75	110.9 Å²	110.9	46%	0.46	54%	0.542	S	S	.	.			trans	-147.1	129.1	172.9	-66	0	0	0	0	108.5	P20	P20-T129 WeakPolarHBondContact CD-OG1 3.44Å; P20-T129 WeakPolarHBondContact CG-OG1 3.37Å; P20-T129 WeakPolarHBondContact O-CB 3.33Å; P20-T129 PolarHBondContact O-OG1 2.79Å
130	T	93.9	Very high	93.7	Very high	90 Å²	90	111.1 Å²	111.1	55%	0.552	55%	0.546	S	S	*	.			trans	-127	142.9	175.8	178.4	0	0	0	0	109.9	R132 P133	T130-R132 VanDerWaalsContact C-N 3.33Å; T130-R132 PolarHBondContact OG1-N 2.98Å; T130-R132 VanDerWaalsContact OG1-N 3.09Å; T130-R132 PolarHBondContact OG1-O 3.47Å; T130-P133 HydrophobicContact CG2-CB 3.94Å
131	H	92.8	Very high	94	Very high	138 Å²	138	112.9 Å²	112.9	64%	0.639	56%	0.557	S	S	*	*	S	Bend	trans	-79.6	-20.3	170.8	-68.1	-58	0	0	0	112.3	R25	R25-H131 PolarHBondContact NE-NE2 2.85Å; R25-H131 PolarHBondContact NH2-CD2 3.06Å; R25-H131 PolarHBondContact NH2-NE2 3.32Å; R25-H131 VanDerWaalsContact NH2-NE2 3.13Å
132	R	94.6	Very high	94.2	Very high	213 Å²	213	115.5 Å²	115.5	80%	0.804	57%	0.566	S	S	*	*			trans	-131.7	90.1	-179.1	-66	-173.1	-178.4	116.1	-2.9	108.5	T130 T134	T130-R132 VanDerWaalsContact C-N 3.33Å; T130-R132 PolarHBondContact OG1-N 2.98Å; T130-R132 VanDerWaalsContact OG1-N 3.09Å; T130-R132 PolarHBondContact OG1-O 3.47Å; R132-T134 VanDerWaalsContact C-N 3.29Å; R132-T134 PolarHBondContact O-N 3.09Å
133	P	95.6	Very high	94.3	Very high	88 Å²	88	118.8 Å²	118.8	57%	0.571	58%	0.577	S	S	*	*	S	Bend	trans	-72.3	-20.9	-177.2	29	-36.6	0	0	0	113.8	T130 F138	T130-P133 HydrophobicContact CG2-CB 3.94Å; P133-F138 HydrophobicContact CB-CE1 4.41Å; P133-F138 HydrophobicContact CB-CZ 4.45Å; P133-F138 HydrophobicContact CG-CE1 3.76Å; P133-F138 HydrophobicContact CG-CE2 4.37Å; P133-F138 HydrophobicContact CG-CZ 3.36Å
134	T	96.7	Very high	94.4	Very high	48 Å²	48	119.2 Å²	119.2	29%	0.294	58%	0.584	S	S	.	*			trans	-129.4	152.7	176.7	-176.7	0	0	0	0	111.4	R132 Q136 G137 F138	R132-T134 VanDerWaalsContact C-N 3.29Å; R132-T134 PolarHBondContact O-N 3.09Å; T134-Q136 PolarHBondContact OG1-N 3.03Å; T134-G137 PolarHBondContact OG1-N 2.66Å; T134-G137 VanDerWaalsContact OG1-N 3.14Å; T134-G137 PolarHBondContact OG1-O 3.5Å; T134-F138 HydrophobicContact CG2-CD1 4.23Å; T134-F138 HydrophobicContact CG2-CD2 3.72Å; T134-F138 HydrophobicContact CG2-CE1 4.34Å; T134-F138 HydrophobicContact CG2-CE2 3.84Å; T134-F138 HydrophobicContact CG2-CG 3.95Å; T134-F138 HydrophobicContact CG2-CZ 4.18Å
135	I	97.2	Very high	94.3	Very high	173 Å²	173	116.4 Å²	116.4	89%	0.887	58%	0.575	S	S	*	*	S	Bend	trans	-106.7	-43.1	174.9	-61.6	169.3	0	0	0	110.4
136	Q	96	Very high	94.2	Very high	189 Å²	189	114 Å²	114	88%	0.883	57%	0.572	S	S	*	*	S	Bend	trans	-91.5	-4.6	-175.1	-66.1	175.3	-21.5	0	0	113.6	T134	T134-Q136 PolarHBondContact OG1-N 3.03Å
137	G	94.1	Very high	94.1	Very high	32 Å²	32	114.9 Å²	114.9	33%	0.33	58%	0.583	S	S	.	*			trans	113.3	156	-173	0	0	0	0	0	111.9	T134	T134-G137 PolarHBondContact OG1-N 2.66Å; T134-G137 VanDerWaalsContact OG1-N 3.14Å; T134-G137 PolarHBondContact OG1-O 3.5Å
138	F	96.2	Very high	93.9	Very high	138 Å²	138	115.6 Å²	115.6	61%	0.605	58%	0.576	S	S	*	*			trans	-74.7	142.5	175.8	-77.8	-80.4	0	0	0	109.2	P133 T134 N140 Y143	P133-F138 HydrophobicContact CB-CE1 4.41Å; P133-F138 HydrophobicContact CB-CZ 4.45Å; P133-F138 HydrophobicContact CG-CE1 3.76Å; P133-F138 HydrophobicContact CG-CE2 4.37Å; P133-F138 HydrophobicContact CG-CZ 3.36Å; T134-F138 HydrophobicContact CG2-CD1 4.23Å; T134-F138 HydrophobicContact CG2-CD2 3.72Å; T134-F138 HydrophobicContact CG2-CE1 4.34Å; T134-F138 HydrophobicContact CG2-CE2 3.84Å; T134-F138 HydrophobicContact CG2-CG 3.95Å; T134-F138 HydrophobicContact CG2-CZ 4.18Å; F138-N140 PolarHBondContact O-N 2.93Å; F138-Y143 WeakPolarHBondContact O-CE2 3.08Å; F138-Y143 PolarHBondContact O-OH 3.14Å
139	W	96.5	Very high	93.6	Very high	182 Å²	182	112 Å²	112	69%	0.689	56%	0.56	S	S	*	*			trans	-56.6	135.3	169.2	-176.7	90.7	0	0	0	110.5	P141	W139-P141 HydrophobicContact CH2-CB 4.18Å; W139-P141 HydrophobicContact CH2-CG 3.99Å; W139-P141 HydrophobicContact CZ3-CG 4.01Å
140	N	94.7	Very high	93.2	Very high	67 Å²	67	113.7 Å²	113.7	36%	0.358	57%	0.566	S	S	.	*			trans	-130.8	157.4	169.4	75.5	43.3	0	0	0	108.4	F138 F142 Y143	F138-N140 PolarHBondContact O-N 2.93Å; N140-F142 PolarHBondContact O-N 3.3Å; N140-F142 WeakPolarHBondContact OD1-CA 3.42Å; N140-F142 WeakPolarHBondContact OD1-CB 3.4Å; N140-F142 PolarHBondContact OD1-N 3.21Å; N140-Y143 HydrophobicContact CB-CD2 3.89Å; N140-Y143 HydrophobicContact CB-CE2 3.83Å; N140-Y143 WeakPolarHBondContact ND2-CD2 2.83Å; N140-Y143 WeakPolarHBondContact ND2-CE2 3.5Å; N140-Y143 WeakPolarHBondContact O-CD2 3.47Å; N140-Y143 PolarHBondContact O-N 3.26Å; N140-Y143 WeakPolarHBondContact OD1-CD2 3.5Å; N140-Y143 PolarHBondContact OD1-N 3.36Å
141	P	95.2	Very high	93.1	Very high	87 Å²	87	115.6 Å²	115.6	57%	0.565	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-18	-176.3	-27.4	36.3	0	0	0	115.4	W139 T145	W139-P141 HydrophobicContact CH2-CB 4.18Å; W139-P141 HydrophobicContact CH2-CG 3.99Å; W139-P141 HydrophobicContact CZ3-CG 4.01Å; P141-T145 PolarHBondContact O-OG1 2.99Å
142	F	93.3	Very high	92.8	Very high	133 Å²	133	110.8 Å²	110.8	58%	0.583	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-0.6	-174.2	-55.2	-71.2	0	0	0	114.3	N140 H144 T145	N140-F142 PolarHBondContact O-N 3.3Å; N140-F142 WeakPolarHBondContact OD1-CA 3.42Å; N140-F142 WeakPolarHBondContact OD1-CB 3.4Å; N140-F142 PolarHBondContact OD1-N 3.21Å; F142-H144 VanDerWaalsContact C-N 3.28Å; F142-H144 PolarHBondContact O-N 3.45Å; F142-T145 WeakPolarHBondContact CA-OG1 3.19Å; F142-T145 HydrophobicContact CD1-CG2 4.31Å; F142-T145 WeakPolarHBondContact O-CB 3.46Å; F142-T145 PolarHBondContact O-N 3.34Å
143	Y	92	Very high	92.6	Very high	108 Å²	108	105.7 Å²	105.7	42%	0.424	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.1	-34.1	-175.3	-95.9	-88.5	0	0	0	114.6	F138 N140	F138-Y143 WeakPolarHBondContact O-CE2 3.08Å; F138-Y143 PolarHBondContact O-OH 3.14Å; N140-Y143 HydrophobicContact CB-CD2 3.89Å; N140-Y143 HydrophobicContact CB-CE2 3.83Å; N140-Y143 WeakPolarHBondContact ND2-CD2 2.83Å; N140-Y143 WeakPolarHBondContact ND2-CE2 3.5Å; N140-Y143 WeakPolarHBondContact O-CD2 3.47Å; N140-Y143 PolarHBondContact O-N 3.26Å; N140-Y143 WeakPolarHBondContact OD1-CD2 3.5Å; N140-Y143 PolarHBondContact OD1-N 3.36Å
144	H	93	Very high	92.2	Very high	168 Å²	168	107.9 Å²	107.9	78%	0.778	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	15.7	-178.4	-56.2	-50.5	0	0	0	112	F142	F142-H144 VanDerWaalsContact C-N 3.28Å; F142-H144 PolarHBondContact O-N 3.45Å
145	T	91.3	Very high	91.9	Very high	41 Å²	41	111.6 Å²	111.6	25%	0.252	58%	0.58	S	S	.	*	S	Bend	trans	-92.7	124.4	-179.5	-61.6	0	0	0	0	108	P141 F142 T147 M149	P141-T145 PolarHBondContact O-OG1 2.99Å; F142-T145 WeakPolarHBondContact CA-OG1 3.19Å; F142-T145 HydrophobicContact CD1-CG2 4.31Å; F142-T145 WeakPolarHBondContact O-CB 3.46Å; F142-T145 PolarHBondContact O-N 3.34Å; T145-T147 PolarHBondContact O-N 3.47Å; T145-M149 HydrophobicContact CG2-CB 4.19Å; T145-M149 HydrophobicContact CG2-CE 3.24Å; T145-M149 HydrophobicContact CG2-SD 4.21Å
146	P	90.1	Very high	91.3	Very high	66 Å²	66	105.4 Å²	105.4	43%	0.429	55%	0.549	S	S	.	.			trans	-56.5	134.2	171.6	22.4	-35.3	0	0	0	110.5	E148 M149	P146-E148 PolarHBondContact O-N 3.22Å; P146-M149 HydrophobicContact CG-CE 3.46Å; P146-M149 VanDerWaalsContact CG-CE 3.46Å; P146-M149 HydrophobicContact CG-CG 4.39Å; P146-M149 PolarHBondContact O-N 3.1Å; P146-M149 VanDerWaalsContact O-N 3.12Å
147	T	92.2	Very high	90.8	Very high	113 Å²	113	103 Å²	103	69%	0.693	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-56.2	-27.9	-177.2	-47.2	0	0	0	0	112.7	T145 M149 N150	T145-T147 PolarHBondContact O-N 3.47Å; T147-M149 PolarHBondContact O-N 3.08Å; T147-N150 WeakPolarHBondContact O-CB 3.44Å; T147-N150 PolarHBondContact O-N 3.2Å; T147-N150 VanDerWaalsContact O-N 3.08Å
148	E	89.4	Confident	90.4	Very high	135 Å²	135	106 Å²	106	63%	0.631	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-52.1	-37.9	177.7	-63.1	172.2	-167.7	0	0	112.6	P146 N150 V151 T152	P146-E148 PolarHBondContact O-N 3.22Å; E148-N150 PolarHBondContact O-N 3.12Å; E148-N150 VanDerWaalsContact O-N 3.1Å; E148-V151 PolarHBondContact O-N 3.21Å; E148-V151 VanDerWaalsContact O-N 3.11Å; E148-T152 VanDerWaalsContact O-CG2 3.31Å; E148-T152 WeakPolarHBondContact O-CG2 3.46Å; E148-T152 PolarHBondContact O-N 3.24Å; E148-T152 PolarHBondContact O-OG1 3.11Å
149	M	86.5	Confident	89.8	Confident	67 Å²	67	103 Å²	103	33%	0.33	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-61.9	-21.6	-178.9	-79	-164.1	-90.8	0	0	114.1	T145 P146 T147 T152 F154 L159	T145-M149 HydrophobicContact CG2-CB 4.19Å; T145-M149 HydrophobicContact CG2-CE 3.24Å; T145-M149 HydrophobicContact CG2-SD 4.21Å; P146-M149 HydrophobicContact CG-CE 3.46Å; P146-M149 VanDerWaalsContact CG-CE 3.46Å; P146-M149 HydrophobicContact CG-CG 4.39Å; P146-M149 PolarHBondContact O-N 3.1Å; P146-M149 VanDerWaalsContact O-N 3.12Å; T147-M149 PolarHBondContact O-N 3.08Å; M149-T152 PolarHBondContact O-OG1 3.06Å; M149-F154 HydrophobicContact CG-CZ 4.48Å; M149-L159 HydrophobicContact CG-CD1 4.13Å
150	N	87	Confident	89.1	Confident	111 Å²	111	97.4 Å²	97.4	59%	0.594	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-77.3	-23.8	179.7	-67.9	-19.8	0	0	0	113	T147 E148	T147-N150 WeakPolarHBondContact O-CB 3.44Å; T147-N150 PolarHBondContact O-N 3.2Å; T147-N150 VanDerWaalsContact O-N 3.08Å; E148-N150 PolarHBondContact O-N 3.12Å; E148-N150 VanDerWaalsContact O-N 3.1Å
151	V	90	Very high	88.5	Confident	131 Å²	131	102.1 Å²	102.1	79%	0.794	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-27.6	-175.5	-174.3	0	0	0	0	111	E148 S153	E148-V151 PolarHBondContact O-N 3.21Å; E148-V151 VanDerWaalsContact O-N 3.11Å; V151-S153 PolarHBondContact O-N 3.37Å
152	T	88.4	Confident	87.7	Confident	37 Å²	37	103 Å²	103	23%	0.227	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-68.9	129	-176.1	53.4	0	0	0	0	111.8	E148 M149 N156 L159	E148-T152 VanDerWaalsContact O-CG2 3.31Å; E148-T152 WeakPolarHBondContact O-CG2 3.46Å; E148-T152 PolarHBondContact O-N 3.24Å; E148-T152 PolarHBondContact O-OG1 3.11Å; M149-T152 PolarHBondContact O-OG1 3.06Å; T152-N156 VanDerWaalsContact CG2-ND2 3.28Å; T152-N156 WeakPolarHBondContact CG2-ND2 3.28Å; T152-L159 HydrophobicContact CG2-CD1 4.31Å
153	S	88.9	Confident	86.9	Confident	105 Å²	105	106.2 Å²	106.2	73%	0.734	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-74	130.8	164.1	49.9	0	0	0	0	109.6	V151	V151-S153 PolarHBondContact O-N 3.37Å
154	F	87.8	Confident	85.9	Confident	135 Å²	135	108.4 Å²	108.4	59%	0.592	59%	0.589	S	S	*	*	S	Bend	trans	-90.6	143.4	174.8	-69.1	-80.2	0	0	0	110.3	M149 L159	M149-F154 HydrophobicContact CG-CZ 4.48Å; F154-L159 HydrophobicContact CE1-CD1 3.93Å; F154-L159 HydrophobicContact CZ-CD1 4.21Å
155	P	90.2	Very high	84.9	Confident	125 Å²	125	105.2 Å²	105.2	81%	0.812	59%	0.586	S	S	*	*	S	Bend	cis	-79.8	132	2.3	31.5	-33.7	0	0	0	113.2
156	N	85	Confident	84.3	Confident	43 Å²	43	109.2 Å²	109.2	23%	0.23	61%	0.61	C	S	.	*			trans	-100.7	114.5	175.1	-176	-9.5	0	0	0	110	T152 D158 L159 G160	T152-N156 VanDerWaalsContact CG2-ND2 3.28Å; T152-N156 WeakPolarHBondContact CG2-ND2 3.28Å; N156-D158 PolarHBondContact O-N 3.4Å; N156-D158 WeakPolarHBondContact OD1-CB 3.31Å; N156-D158 PolarHBondContact OD1-N 2.98Å; N156-L159 HydrophobicContact CB-CB 4.32Å; N156-L159 HydrophobicContact CB-CD1 4.14Å; N156-L159 HydrophobicContact CB-CG 4.24Å; N156-L159 PolarHBondContact O-N 3.09Å; N156-G160 PolarHBondContact O-N 3.38Å
157	N	86.1	Confident	83.9	Confident	138 Å²	138	108.4 Å²	108.4	74%	0.738	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-33	-179.9	-74.1	-21.2	0	0	0	112.6	G160 R161	N157-G160 PolarHBondContact O-N 3.04Å; N157-R161 WeakPolarHBondContact O-CG 3.44Å; N157-R161 PolarHBondContact O-N 2.62Å; N157-R161 VanDerWaalsContact O-N 3.09Å
158	D	84.6	Confident	83.5	Confident	95 Å²	95	109.1 Å²	109.1	51%	0.508	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.8	-43.3	-176.4	-65	-10.1	0	0	0	112.2	N156 G160 R161	N156-D158 PolarHBondContact O-N 3.4Å; N156-D158 WeakPolarHBondContact OD1-CB 3.31Å; N156-D158 PolarHBondContact OD1-N 2.98Å; D158-G160 VanDerWaalsContact C-N 3.28Å; D158-R161 WeakPolarHBondContact O-CG 3.07Å; D158-R161 PolarHBondContact O-N 3.15Å; D158-R161 IonicContact OD1-CZ 3.2Å; D158-R161 IonicContact OD1-NE 3.15Å; D158-R161 PolarHBondContact OD1-NE 3.2Å; D158-R161 VanDerWaalsContact OD1-NE 3.15Å; D158-R161 IonicContact OD1-NH2 2.62Å; D158-R161 PolarHBondContact OD1-NH2 3.44Å; D158-R161 IonicContact OD2-NH2 3.96Å
159	L	83	Confident	83.3	Confident	76 Å²	76	106.1 Å²	106.1	40%	0.398	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-26.9	174.7	-62.3	177.9	0	0	0	111.8	M149 T152 F154 N156	M149-L159 HydrophobicContact CG-CD1 4.13Å; T152-L159 HydrophobicContact CG2-CD1 4.31Å; F154-L159 HydrophobicContact CE1-CD1 3.93Å; F154-L159 HydrophobicContact CZ-CD1 4.21Å; N156-L159 HydrophobicContact CB-CB 4.32Å; N156-L159 HydrophobicContact CB-CD1 4.14Å; N156-L159 HydrophobicContact CB-CG 4.24Å; N156-L159 PolarHBondContact O-N 3.09Å
160	G	81.6	Confident	83.3	Confident	64 Å²	64	106.7 Å²	106.7	66%	0.66	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-7.2	177.1	0	0	0	0	0	115.1	N156 N157 D158 C162	N156-G160 PolarHBondContact O-N 3.38Å; N157-G160 PolarHBondContact O-N 3.04Å; D158-G160 VanDerWaalsContact C-N 3.28Å; G160-C162 PolarHBondContact O-N 3.32Å
161	R	83.7	Confident	83.4	Confident	166 Å²	166	106 Å²	106	63%	0.626	61%	0.605	S	S	*	*	S	Bend	trans	-60.9	135.2	179.3	-57.1	-175	-169.9	-178.5	1.5	109.3	N157 D158 K163	N157-R161 WeakPolarHBondContact O-CG 3.44Å; N157-R161 PolarHBondContact O-N 2.62Å; N157-R161 VanDerWaalsContact O-N 3.09Å; D158-R161 WeakPolarHBondContact O-CG 3.07Å; D158-R161 PolarHBondContact O-N 3.15Å; D158-R161 IonicContact OD1-CZ 3.2Å; D158-R161 IonicContact OD1-NE 3.15Å; D158-R161 PolarHBondContact OD1-NE 3.2Å; D158-R161 VanDerWaalsContact OD1-NE 3.15Å; D158-R161 IonicContact OD1-NH2 2.62Å; D158-R161 PolarHBondContact OD1-NH2 3.44Å; D158-R161 IonicContact OD2-NH2 3.96Å; R161-K163 PolarHBondContact O-N 3Å
162	C	78.4	Confident	83.3	Confident	105 Å²	105	102.6 Å²	102.6	71%	0.709	58%	0.582	S	S	*	*			trans	-57.4	114.2	169.9	-175.5	0	0	0	0	108.1	G160 M164	G160-C162 PolarHBondContact O-N 3.32Å; C162-M164 VanDerWaalsContact C-N 3.33Å; C162-M164 PolarHBondContact O-N 3.27Å
163	K	76.8	Confident	83.3	Confident	201 Å²	201	105.4 Å²	105.4	87%	0.874	60%	0.595	S	S	*	*			trans	-65.8	99.3	172.7	-67.9	-177.5	-178.6	179.8	0	106.5	R161 S165	R161-K163 PolarHBondContact O-N 3Å; K163-S165 PolarHBondContact O-N 2.89Å
164	M	69.5	Low	83.2	Confident	155 Å²	155	103.5 Å²	103.5	76%	0.764	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-55.6	130.1	172.9	-63.5	-90.9	60.5	0	0	107.2	C162 V166	C162-M164 VanDerWaalsContact C-N 3.33Å; C162-M164 PolarHBondContact O-N 3.27Å; M164-V166 PolarHBondContact O-N 3.21Å
165	S	72.1	Confident	83.2	Confident	101 Å²	101	102.7 Å²	102.7	71%	0.706	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-53.2	129.6	175.9	51.1	0	0	0	0	108	K163	K163-S165 PolarHBondContact O-N 2.89Å
166	V	78.2	Confident	83	Confident	124 Å²	124	102.5 Å²	102.5	75%	0.752	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-47.4	129.5	165.2	-178.9	0	0	0	0	106.6	M164 L168	M164-V166 PolarHBondContact O-N 3.21Å; V166-L168 PolarHBondContact O-N 3.36Å
167	P	81.7	Confident	83.1	Confident	49 Å²	49	107.6 Å²	107.6	32%	0.318	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-53.7	138.3	-175.4	19.8	-31.6	0	0	0	109.5	E171 I172	P167-E171 HydrophobicContact CB-CB 4.13Å; P167-E171 HydrophobicContact CB-CG 4.12Å; P167-E171 WeakPolarHBondContact CB-OE2 3.43Å; P167-I172 HydrophobicContact CB-CG1 3.99Å; P167-I172 HydrophobicContact CG-CD1 4.12Å; P167-I172 HydrophobicContact CG-CG1 3.75Å; P167-I172 WeakPolarHBondContact O-CD1 3.24Å
168	L	84.3	Confident	82.7	Confident	128 Å²	128	102.5 Å²	102.5	67%	0.67	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-56.1	147.8	177.5	-77.7	145.3	0	0	0	108.7	V166 S170 E171 I172	V166-L168 PolarHBondContact O-N 3.36Å; L168-S170 PolarHBondContact O-N 2.99Å; L168-E171 WeakPolarHBondContact O-CA 3.37Å; L168-E171 WeakPolarHBondContact O-CB 3.44Å; L168-E171 PolarHBondContact O-N 3.24Å; L168-I172 PolarHBondContact O-N 2.8Å
169	A	85.9	Confident	82	Confident	72 Å²	72	101.1 Å²	101.1	60%	0.595	57%	0.57	S	S	*	*	H	α-helix	trans	-52.1	-32.7	179.2	0	0	0	0	0	112.2	I172 L173	A169-I172 PolarHBondContact O-N 2.89Å; A169-L173 WeakPolarHBondContact O-CB 3.44Å; A169-L173 VanDerWaalsContact O-CG 3.24Å; A169-L173 WeakPolarHBondContact O-CG 3.39Å; A169-L173 PolarHBondContact O-N 3.2Å
170	S	86.7	Confident	81.1	Confident	80 Å²	80	100.7 Å²	100.7	56%	0.559	57%	0.574	S	S	*	*	H	α-helix	trans	-63.5	-39.2	173.6	54.8	0	0	0	0	113.8	L168 L173 A174	L168-S170 PolarHBondContact O-N 2.99Å; S170-L173 PolarHBondContact O-N 3.06Å; S170-A174 WeakPolarHBondContact O-CB 3.14Å; S170-A174 PolarHBondContact O-N 2.95Å
171	E	87.7	Confident	80.1	Confident	95 Å²	95	101.4 Å²	101.4	44%	0.444	57%	0.569	S	S	.	*	H	α-helix	trans	-71.1	-41.8	178.3	-174.2	176.3	-173.4	0	0	110.7	P167 L168 L173 A174 Q175	P167-E171 HydrophobicContact CB-CB 4.13Å; P167-E171 HydrophobicContact CB-CG 4.12Å; P167-E171 WeakPolarHBondContact CB-OE2 3.43Å; L168-E171 WeakPolarHBondContact O-CA 3.37Å; L168-E171 WeakPolarHBondContact O-CB 3.44Å; L168-E171 PolarHBondContact O-N 3.24Å; E171-L173 VanDerWaalsContact C-N 3.34Å; E171-L173 PolarHBondContact O-N 3.47Å; E171-A174 PolarHBondContact O-N 2.91Å; E171-Q175 WeakPolarHBondContact O-CG 3.32Å; E171-Q175 PolarHBondContact O-N 3.48Å
172	I	89.2	Confident	78.9	Confident	60 Å²	60	103.2 Å²	103.2	31%	0.308	58%	0.575	S	S	.	*	H	α-helix	trans	-57.7	-49	172.2	-62.2	171.9	0	0	0	109.7	P167 L168 A169 A174 Q175 H176	P167-I172 HydrophobicContact CB-CG1 3.99Å; P167-I172 HydrophobicContact CG-CD1 4.12Å; P167-I172 HydrophobicContact CG-CG1 3.75Å; P167-I172 WeakPolarHBondContact O-CD1 3.24Å; L168-I172 PolarHBondContact O-N 2.8Å; A169-I172 PolarHBondContact O-N 2.89Å; I172-A174 PolarHBondContact O-N 2.99Å; I172-Q175 PolarHBondContact O-N 3.38Å; I172-H176 PolarHBondContact O-CD2 3.48Å; I172-H176 PolarHBondContact O-N 2.96Å
173	L	87.5	Confident	77.9	Confident	97 Å²	97	105.3 Å²	105.3	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-59.3	-45.6	176.3	-73.7	171.8	0	0	0	111.9	A169 S170 E171 Q175 H176 F177	A169-L173 WeakPolarHBondContact O-CB 3.44Å; A169-L173 VanDerWaalsContact O-CG 3.24Å; A169-L173 WeakPolarHBondContact O-CG 3.39Å; A169-L173 PolarHBondContact O-N 3.2Å; S170-L173 PolarHBondContact O-N 3.06Å; E171-L173 VanDerWaalsContact C-N 3.34Å; E171-L173 PolarHBondContact O-N 3.47Å; L173-Q175 VanDerWaalsContact C-N 3.31Å; L173-Q175 PolarHBondContact O-N 3.29Å; L173-H176 PolarHBondContact O-N 3.08Å; L173-F177 HydrophobicContact CB-CD2 4.47Å; L173-F177 HydrophobicContact CB-CE2 4.45Å; L173-F177 HydrophobicContact CD2-CE2 4.17Å; L173-F177 WeakPolarHBondContact O-CD2 3.36Å; L173-F177 PolarHBondContact O-N 3.04Å
174	A	87.6	Confident	77	Confident	64 Å²	64	104.7 Å²	104.7	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-60.3	-40	178.8	0	0	0	0	0	112.3	S170 E171 I172 G178	S170-A174 WeakPolarHBondContact O-CB 3.14Å; S170-A174 PolarHBondContact O-N 2.95Å; E171-A174 PolarHBondContact O-N 2.91Å; I172-A174 PolarHBondContact O-N 2.99Å; A174-G178 PolarHBondContact O-N 3.16Å
175	Q	86.9	Confident	76.3	Confident	118 Å²	118	106 Å²	106	55%	0.551	58%	0.578	S	S	*	*	H	α-helix	trans	-65	-42.6	175.2	-70.5	175.1	7.9	0	0	112.1	E171 I172 L173 S179	E171-Q175 WeakPolarHBondContact O-CG 3.32Å; E171-Q175 PolarHBondContact O-N 3.48Å; I172-Q175 PolarHBondContact O-N 3.38Å; L173-Q175 VanDerWaalsContact C-N 3.31Å; L173-Q175 PolarHBondContact O-N 3.29Å; Q175-S179 PolarHBondContact O-N 2.88Å; Q175-S179 VanDerWaalsContact O-N 3.16Å; Q175-S179 PolarHBondContact O-OG 3.45Å
176	H	87.5	Confident	75.2	Confident	121 Å²	121	110 Å²	110	56%	0.56	59%	0.585	S	S	*	*	H	α-helix	trans	-63.3	-45.2	176.4	-77.3	-66.9	0	0	0	112.3	I172 L173 S179 S180	I172-H176 PolarHBondContact O-CD2 3.48Å; I172-H176 PolarHBondContact O-N 2.96Å; L173-H176 PolarHBondContact O-N 3.08Å; H176-S179 PolarHBondContact O-OG 3.26Å; H176-S180 PolarHBondContact O-N 3.34Å
177	F	85.6	Confident	73.9	Confident	150 Å²	150	109.4 Å²	109.4	66%	0.658	58%	0.584	S	S	*	*	H	α-helix	trans	-74.1	-35.7	179.4	-72.4	-67.9	0	0	0	113	L173 S179 S180 S181	L173-F177 HydrophobicContact CB-CD2 4.47Å; L173-F177 HydrophobicContact CB-CE2 4.45Å; L173-F177 HydrophobicContact CD2-CE2 4.17Å; L173-F177 WeakPolarHBondContact O-CD2 3.36Å; L173-F177 PolarHBondContact O-N 3.04Å; F177-S179 VanDerWaalsContact C-N 3.32Å; F177-S179 PolarHBondContact O-N 3.26Å; F177-S180 PolarHBondContact O-N 3.41Å; F177-S181 PolarHBondContact O-N 3.28Å
178	G	78.7	Confident	72	Confident	32 Å²	32	114 Å²	114	33%	0.33	61%	0.611	S	S	.	*	H	α-helix	trans	-69.4	-25.5	179.3	0	0	0	0	0	114.3	A174 S181	A174-G178 PolarHBondContact O-N 3.16Å; G178-S181 PolarHBondContact O-OG 3.44Å
179	S	69.7	Low	70.5	Confident	65 Å²	65	112.9 Å²	112.9	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-78.3	-36.4	171.7	53.3	0	0	0	0	111.7	Q175 H176 F177 S181 R182	Q175-S179 PolarHBondContact O-N 2.88Å; Q175-S179 VanDerWaalsContact O-N 3.16Å; Q175-S179 PolarHBondContact O-OG 3.45Å; H176-S179 PolarHBondContact O-OG 3.26Å; F177-S179 VanDerWaalsContact C-N 3.32Å; F177-S179 PolarHBondContact O-N 3.26Å; S179-S181 VanDerWaalsContact C-N 3.33Å; S179-S181 PolarHBondContact O-N 3.41Å; S179-R182 PolarHBondContact O-N 2.92Å
180	S	64.3	Low	68.6	Low	67 Å²	67	117.6 Å²	117.6	47%	0.469	63%	0.629	S	S	.	*	H	α-helix	trans	-67.3	-26.7	-177.8	-159.9	0	0	0	0	114.4	H176 F177	H176-S180 PolarHBondContact O-N 3.34Å; F177-S180 PolarHBondContact O-N 3.41Å
181	S	60.6	Low	66.8	Low	80 Å²	80	122.4 Å²	122.4	56%	0.559	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-22	177.5	60.6	0	0	0	0	113.7	F177 G178 S179	F177-S181 PolarHBondContact O-N 3.28Å; G178-S181 PolarHBondContact O-OG 3.44Å; S179-S181 VanDerWaalsContact C-N 3.33Å; S179-S181 PolarHBondContact O-N 3.41Å
182	R	57.6	Low	65	Low	203 Å²	203	124.8 Å²	124.8	77%	0.766	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-75.5	-25.6	178	-104.6	178.9	-89.6	-136.2	-1.8	113.5	S179 K184	S179-R182 PolarHBondContact O-N 2.92Å; R182-K184 VanDerWaalsContact C-N 3.33Å; R182-K184 PolarHBondContact O-N 3.43Å
183	L	57.3	Low	62.8	Low	149 Å²	149	133.7 Å²	133.7	78%	0.78	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-78.2	-9.6	-177.9	-68.4	170.6	0	0	0	114.5
184	K	58.2	Low	61.5	Low	188 Å²	188	135.6 Å²	135.6	82%	0.817	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-93.6	8.1	-178.8	-70.4	-173.5	177	-178	0	114.6	R182	R182-K184 VanDerWaalsContact C-N 3.33Å; R182-K184 PolarHBondContact O-N 3.43Å
185	K	55.6	Low	60.2	Low	184 Å²	184	139.3 Å²	139.3	80%	0.8	73%	0.73	S	S	*	*			trans	-117.4	23.8	-167.5	-111.6	-175.6	-175.8	-176.8	0	115.4	P187	K185-P187 WeakPolarHBondContact O-CD 3.34Å
186	E	48.9	Very low	58.7	Low	183 Å²	183	140.5 Å²	140.5	86%	0.855	74%	0.74	S	S	*	*			trans	-89.2	115.4	169.2	-65.4	-153.7	164.4	0	0	110.6
187	P	50.5	Low	57	Low	113 Å²	113	141.6 Å²	141.6	73%	0.734	75%	0.751	S	S	*	*			trans	-80	133.3	177.4	31	-31.6	0	0	0	111.4	K185 S189	K185-P187 WeakPolarHBondContact O-CD 3.34Å; P187-S189 PolarHBondContact O-N 3.48Å
188	T	41.6	Very low	55.2	Low	145 Å²	145	141.1 Å²	141.1	89%	0.89	76%	0.756	S	S	*	*			trans	-60.8	122.5	168.5	45.2	0	0	0	0	111
189	S	52	Low	53.6	Low	105 Å²	105	148.4 Å²	148.4	73%	0.734	79%	0.785	S	S	*	*			trans	-142.3	83.1	167.1	62.9	0	0	0	0	110.4	P187	P187-S189 PolarHBondContact O-N 3.48Å
190	D	47.5	Very low	52.5	Low	170 Å²	170	154.4 Å²	154.4	91%	0.909	81%	0.809	S	S	*	*			trans	-114.9	80.2	158.5	-79.1	-22.8	0	0	0	107.4
191	E	48.5	Very low	51.6	Low	182 Å²	182	161.1 Å²	161.1	85%	0.85	84%	0.835	S	S	*	*			trans	-133.2	99.8	162	-79	-168.1	174.3	0	0	107.5
192	T	49.1	Very low	50.8	Low	144 Å²	144	167.8 Å²	167.8	88%	0.883	86%	0.858	S	S	*	*			trans	175.2	89.3	146.2	35.4	0	0	0	0	110.1
193	I	43.2	Very low	50.2	Low	248 Å²	248	164.6 Å²	164.6	100%	1.272	87%	0.866	S	S	*	*				-141.4	0	124.4	-63.7	-173.3	0	0	0	105.8

Retrieved 193 of 193 residues in 48.6 ms (Link to these results)

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