A0A087Y3W0_POEFO Loading...

E3 ubiquitin-protein ligase RNF181

E3 ubiquitin-protein ligase which accepts ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates. Catalyzes monoubiquitination of 26S proteasome subunit PSMC2/RPT1.

AlphaFold DB (A0A3P9Q5X1), UniProt , Accession A0A087Y3W0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 157 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	60.2	Low	60.9	Low	245 Å²	245	131.7 Å²	131.7	100%	1.207	67%	0.673	S	S	*	*				0	111.9	0	-74	174.5	114.7	0	0	105.7
2	A	51.7	Low	60.5	Low	68 Å²	68	131.3 Å²	131.3	56%	0.562	69%	0.685	S	S	*	*			trans	-66.8	150.5	172.6	0	0	0	0	0	108.6	D6	A2-D6 HydrophobicContact CB-CB 4.21Å
3	S	68.7	Low	60.4	Low	57 Å²	57	125.4 Å²	125.4	40%	0.399	66%	0.659	S	S	.	*			trans	-72.6	151.6	178.1	76.1	0	0	0	0	109.4	F5 D6	S3-F5 PolarHBondContact O-N 3.19Å; S3-D6 WeakPolarHBondContact CB-OD2 3.46Å; S3-D6 PolarHBondContact N-OD2 3.29Å; S3-D6 WeakPolarHBondContact O-CB 3.31Å; S3-D6 PolarHBondContact O-N 3.22Å; S3-D6 PolarHBondContact OG-N 2.86Å; S3-D6 PolarHBondContact OG-OD2 3.25Å
4	Y	66.4	Low	60.8	Low	166 Å²	166	122.7 Å²	122.7	65%	0.651	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.2	-25.6	173.9	172.9	-96	0	0	0	113.2	H8	Y4-H8 PolarHBondContact O-CD2 2.89Å
5	F	54.8	Low	60.7	Low	136 Å²	136	121.3 Å²	121.3	60%	0.596	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-27.1	177.7	-77.3	-90.5	0	0	0	113.4	S3 E7	S3-F5 PolarHBondContact O-N 3.19Å; F5-E7 VanDerWaalsContact C-N 3.34Å
6	D	62.8	Low	60.7	Low	109 Å²	109	123 Å²	123	58%	0.583	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-76.3	-21.9	176.9	-61.3	-59.5	0	0	0	112.3	A2 S3 H8	A2-D6 HydrophobicContact CB-CB 4.21Å; S3-D6 WeakPolarHBondContact CB-OD2 3.46Å; S3-D6 PolarHBondContact N-OD2 3.29Å; S3-D6 WeakPolarHBondContact O-CB 3.31Å; S3-D6 PolarHBondContact O-N 3.22Å; S3-D6 PolarHBondContact OG-N 2.86Å; S3-D6 PolarHBondContact OG-OD2 3.25Å; D6-H8 VanDerWaalsContact C-N 3.27Å; D6-H8 PolarHBondContact O-N 3.31Å
7	E	64.3	Low	60.6	Low	139 Å²	139	122.5 Å²	122.5	65%	0.65	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-78.4	-9.3	179.3	-67.5	-173.3	163.9	0	0	113.4	F5	F5-E7 VanDerWaalsContact C-N 3.34Å
8	H	67.6	Low	60.6	Low	115 Å²	115	120.7 Å²	120.7	53%	0.532	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-126.7	15.2	-170.2	-71.1	-53	0	0	0	115.2	Y4 D6 C10	Y4-H8 PolarHBondContact O-CD2 2.89Å; D6-H8 VanDerWaalsContact C-N 3.27Å; D6-H8 PolarHBondContact O-N 3.31Å; H8-C10 PolarHBondContact O-N 3.43Å
9	D	53.3	Low	60.5	Low	159 Å²	159	123.8 Å²	123.8	85%	0.85	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	46	38.4	177.6	-69.1	-38.3	0	0	0	113.6	E11	D9-E11 PolarHBondContact O-N 3.27Å
10	C	60.8	Low	60.6	Low	88 Å²	88	127.6 Å²	127.6	60%	0.595	64%	0.64	S	S	*	*			trans	-85.5	95.7	-178.6	-170.5	0	0	0	0	109.8	H8	H8-C10 PolarHBondContact O-N 3.43Å
11	E	59	Low	60.7	Low	167 Å²	167	127.5 Å²	127.5	78%	0.78	64%	0.637	S	S	*	*			trans	-81.5	142.1	171.4	-67.3	-151	160.8	0	0	112	D9 T13	D9-E11 PolarHBondContact O-N 3.27Å; E11-T13 PolarHBondContact O-N 2.8Å; E11-T13 VanDerWaalsContact O-N 3.09Å
12	P	56.9	Low	60.9	Low	126 Å²	126	119 Å²	119	82%	0.818	60%	0.597	S	S	*	*			trans	-66.5	110.8	174.4	26.7	-31.7	0	0	0	109.8
13	T	59.3	Low	61.9	Low	55 Å²	55	117.9 Å²	117.9	34%	0.337	59%	0.587	S	S	.	*			trans	-59.1	138.7	177.4	52.6	0	0	0	0	111.2	E11 Q18	E11-T13 PolarHBondContact O-N 2.8Å; E11-T13 VanDerWaalsContact O-N 3.09Å; T13-Q18 VanDerWaalsContact OG1-CD 3.25Å; T13-Q18 WeakPolarHBondContact OG1-CG 3.19Å; T13-Q18 PolarHBondContact OG1-NE2 2.97Å; T13-Q18 VanDerWaalsContact OG1-NE2 3.11Å
14	N	65.6	Low	62.1	Low	88 Å²	88	121.8 Å²	121.8	47%	0.471	60%	0.603	S	S	.	*			trans	-49.9	134.2	177	177.1	-12.1	0	0	0	111.2	E16 E17 Q18	N14-E16 PolarHBondContact O-N 3.4Å; N14-E16 PolarHBondContact OD1-N 2.98Å; N14-E17 HydrophobicContact CB-CB 4.29Å; N14-E17 WeakPolarHBondContact O-CB 3.32Å; N14-E17 PolarHBondContact O-N 3.04Å; N14-Q18 PolarHBondContact O-N 3.13Å
15	P	59.5	Low	62.2	Low	101 Å²	101	119.3 Å²	119.3	66%	0.656	60%	0.6	S	S	*	*	H	α-helix	trans	-47.9	-35.4	179.3	-30.4	33.4	0	0	0	115.6	Y19	P15-Y19 PolarHBondContact O-N 3.49Å; P15-Y19 VanDerWaalsContact O-N 3.17Å
16	E	59.9	Low	63	Low	149 Å²	149	117.7 Å²	117.7	70%	0.696	60%	0.595	S	S	*	*	H	α-helix	trans	-73.1	-31.4	178.1	-68.8	-161.9	141.9	0	0	113.3	N14 R20	N14-E16 PolarHBondContact O-N 3.4Å; N14-E16 PolarHBondContact OD1-N 2.98Å; E16-R20 PolarHBondContact O-N 2.82Å
17	E	59.5	Low	63.5	Low	114 Å²	114	117.6 Å²	117.6	53%	0.533	59%	0.593	S	S	.	*	H	α-helix	trans	-79.4	-35.2	-179.4	-147.5	158.5	-156.3	0	0	110.7	N14 R20 Q21	N14-E17 HydrophobicContact CB-CB 4.29Å; N14-E17 WeakPolarHBondContact O-CB 3.32Å; N14-E17 PolarHBondContact O-N 3.04Å; E17-R20 PolarHBondContact O-N 3.49Å; E17-Q21 WeakPolarHBondContact O-CG 3.37Å; E17-Q21 PolarHBondContact O-N 3.49Å
18	Q	61.2	Low	63.9	Low	90 Å²	90	113.1 Å²	113.1	42%	0.421	58%	0.581	S	S	.	*	H	α-helix	trans	-61.5	-42.9	169.9	-127.4	163	15.8	0	0	111.7	T13 N14 R20 Q21 N22	T13-Q18 VanDerWaalsContact OG1-CD 3.25Å; T13-Q18 WeakPolarHBondContact OG1-CG 3.19Å; T13-Q18 PolarHBondContact OG1-NE2 2.97Å; T13-Q18 VanDerWaalsContact OG1-NE2 3.11Å; N14-Q18 PolarHBondContact O-N 3.13Å; Q18-R20 VanDerWaalsContact C-N 3.34Å; Q18-R20 PolarHBondContact O-N 3.18Å; Q18-Q21 PolarHBondContact O-N 2.89Å; Q18-N22 WeakPolarHBondContact O-CB 3.39Å; Q18-N22 VanDerWaalsContact O-CG 3.23Å; Q18-N22 PolarHBondContact O-N 2.94Å; Q18-N22 PolarHBondContact O-ND2 2.89Å
19	Y	58.2	Low	63.9	Low	180 Å²	180	114.9 Å²	114.9	71%	0.706	58%	0.583	S	S	*	*	H	α-helix	trans	-62.4	-40	175.3	-177	-98.9	0	0	0	112.3	P15 N22 A23	P15-Y19 PolarHBondContact O-N 3.49Å; P15-Y19 VanDerWaalsContact O-N 3.17Å; Y19-N22 PolarHBondContact O-N 3.3Å; Y19-A23 PolarHBondContact O-N 2.88Å
20	R	61.4	Low	64.7	Low	200 Å²	200	110.8 Å²	110.8	76%	0.755	57%	0.566	S	S	*	*	H	α-helix	trans	-68.4	-41.8	176.5	-75.5	179.5	170.5	171.4	0.8	113	E16 E17 Q18 N22 A23	E16-R20 PolarHBondContact O-N 2.82Å; E17-R20 PolarHBondContact O-N 3.49Å; Q18-R20 VanDerWaalsContact C-N 3.34Å; Q18-R20 PolarHBondContact O-N 3.18Å; R20-N22 VanDerWaalsContact C-N 3.28Å; R20-N22 PolarHBondContact O-N 2.93Å; R20-A23 WeakPolarHBondContact O-CB 3.44Å; R20-A23 PolarHBondContact O-N 3.34Å
21	Q	63.3	Low	65.2	Low	126 Å²	126	112.6 Å²	112.6	59%	0.589	57%	0.569	S	S	*	*	H	α-helix	trans	-65.2	-34.7	176.7	-76.3	174.5	-22.4	0	0	111.9	E17 Q18 A23	E17-Q21 WeakPolarHBondContact O-CG 3.37Å; E17-Q21 PolarHBondContact O-N 3.49Å; Q18-Q21 PolarHBondContact O-N 2.89Å; Q21-A23 VanDerWaalsContact C-N 3.26Å; Q21-A23 PolarHBondContact O-N 2.74Å
22	N	64.7	Low	65.5	Low	67 Å²	67	111.1 Å²	111.1	36%	0.358	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-0.6	177	-67.3	-40.9	0	0	0	113.6	Q18 Y19 R20 L24 L25 E26	Q18-N22 WeakPolarHBondContact O-CB 3.39Å; Q18-N22 VanDerWaalsContact O-CG 3.23Å; Q18-N22 PolarHBondContact O-N 2.94Å; Q18-N22 PolarHBondContact O-ND2 2.89Å; Y19-N22 PolarHBondContact O-N 3.3Å; R20-N22 VanDerWaalsContact C-N 3.28Å; R20-N22 PolarHBondContact O-N 2.93Å; N22-L24 VanDerWaalsContact C-N 3.27Å; N22-L24 PolarHBondContact O-N 3.03Å; N22-L25 CarbonylContact O-C 3.54Å; N22-L25 WeakPolarHBondContact O-CA 3.5Å; N22-L25 WeakPolarHBondContact O-CB 2.9Å; N22-L25 PolarHBondContact O-N 2.8Å; N22-L25 WeakPolarHBondContact OD1-CD1 3.49Å; N22-E26 WeakPolarHBondContact O-CB 3.37Å; N22-E26 WeakPolarHBondContact O-CG 3.48Å; N22-E26 PolarHBondContact O-N 3.2Å
23	A	72.4	Confident	65.6	Low	43 Å²	43	110.4 Å²	110.4	36%	0.355	55%	0.55	S	S	.	.	H	α-helix	trans	-60.4	-36.8	-179.2	0	0	0	0	0	112.6	Y19 R20 Q21 L27	Y19-A23 PolarHBondContact O-N 2.88Å; R20-A23 WeakPolarHBondContact O-CB 3.44Å; R20-A23 PolarHBondContact O-N 3.34Å; Q21-A23 VanDerWaalsContact C-N 3.26Å; Q21-A23 PolarHBondContact O-N 2.74Å; A23-L27 VanDerWaalsContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 WeakPolarHBondContact O-CD1 3.13Å; A23-L27 VanDerWaalsContact O-CG 3.25Å; A23-L27 WeakPolarHBondContact O-CG 3.29Å; A23-L27 PolarHBondContact O-N 2.9Å
24	L	72.5	Confident	65.5	Low	139 Å²	139	109.6 Å²	109.6	73%	0.728	55%	0.553	S	S	*	*	H	α-helix	trans	-69.2	-35.7	174	-103.6	164.9	0	0	0	112.3	N22 A28	N22-L24 VanDerWaalsContact C-N 3.27Å; N22-L24 PolarHBondContact O-N 3.03Å; L24-A28 VanDerWaalsContact O-CB 3.26Å; L24-A28 WeakPolarHBondContact O-CB 3.43Å; L24-A28 PolarHBondContact O-N 3.41Å
25	L	68.3	Low	64.8	Low	114 Å²	114	111.3 Å²	111.3	60%	0.597	56%	0.561	S	S	*	*	H	α-helix	trans	-72.3	-36.5	175.9	-72.9	167.9	0	0	0	111.8	N22 A28 R29	N22-L25 CarbonylContact O-C 3.54Å; N22-L25 WeakPolarHBondContact O-CA 3.5Å; N22-L25 WeakPolarHBondContact O-CB 2.9Å; N22-L25 PolarHBondContact O-N 2.8Å; N22-L25 WeakPolarHBondContact OD1-CD1 3.49Å; L25-A28 PolarHBondContact O-N 2.7Å; L25-R29 VanDerWaalsContact O-CB 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.44Å; L25-R29 PolarHBondContact O-N 2.94Å
26	E	71.4	Confident	64.1	Low	103 Å²	103	111.7 Å²	111.7	48%	0.481	56%	0.558	S	S	.	*	H	α-helix	trans	-70.6	-39.7	173.4	-74.5	-59.1	147.4	0	0	111.5	N22 R29 S30	N22-E26 WeakPolarHBondContact O-CB 3.37Å; N22-E26 WeakPolarHBondContact O-CG 3.48Å; N22-E26 PolarHBondContact O-N 3.2Å; E26-R29 PolarHBondContact O-N 2.86Å; E26-S30 VanDerWaalsContact O-CB 3.26Å; E26-S30 WeakPolarHBondContact O-CB 3.46Å; E26-S30 PolarHBondContact O-N 3.4Å
27	L	74.1	Confident	63.6	Low	106 Å²	106	111.6 Å²	111.6	56%	0.555	56%	0.561	S	S	*	*	H	α-helix	trans	-63	-43.3	170.5	-80.4	164.1	0	0	0	111.3	A23 S30 L31	A23-L27 VanDerWaalsContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 WeakPolarHBondContact O-CD1 3.13Å; A23-L27 VanDerWaalsContact O-CG 3.25Å; A23-L27 WeakPolarHBondContact O-CG 3.29Å; A23-L27 PolarHBondContact O-N 2.9Å; L27-S30 PolarHBondContact O-N 3.01Å; L27-L31 VanDerWaalsContact O-CB 3.29Å; L27-L31 WeakPolarHBondContact O-CB 3.22Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.13Å; L27-L31 PolarHBondContact O-N 3.34Å
28	A	73.2	Confident	63	Low	46 Å²	46	113.7 Å²	113.7	38%	0.38	57%	0.574	S	S	.	*	H	α-helix	trans	-63.6	-41.7	174.7	0	0	0	0	0	111.8	L24 L25 L31 M32	L24-A28 VanDerWaalsContact O-CB 3.26Å; L24-A28 WeakPolarHBondContact O-CB 3.43Å; L24-A28 PolarHBondContact O-N 3.41Å; L25-A28 PolarHBondContact O-N 2.7Å; A28-L31 PolarHBondContact O-N 2.86Å; A28-M32 WeakPolarHBondContact O-CB 3.3Å; A28-M32 WeakPolarHBondContact O-CG 3.49Å; A28-M32 PolarHBondContact O-N 3.38Å
29	R	67.9	Low	62.1	Low	152 Å²	152	116.4 Å²	116.4	57%	0.574	59%	0.592	S	S	*	*	H	α-helix	trans	-63.4	-40.2	175	-176.7	-178.9	-83.4	-128.2	0.1	111.6	L25 E26 Q33	L25-R29 VanDerWaalsContact O-CB 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.44Å; L25-R29 PolarHBondContact O-N 2.94Å; E26-R29 PolarHBondContact O-N 2.86Å; R29-Q33 WeakPolarHBondContact O-CB 3.43Å; R29-Q33 WeakPolarHBondContact O-CG 3.48Å; R29-Q33 PolarHBondContact O-N 3.38Å
30	S	70.4	Confident	61.5	Low	73 Å²	73	111.6 Å²	111.6	51%	0.51	59%	0.585	S	S	.	*	H	α-helix	trans	-72.8	-34.4	177.2	-166.8	0	0	0	0	112.6	E26 L27 G34	E26-S30 VanDerWaalsContact O-CB 3.26Å; E26-S30 WeakPolarHBondContact O-CB 3.46Å; E26-S30 PolarHBondContact O-N 3.4Å; L27-S30 PolarHBondContact O-N 3.01Å; S30-G34 PolarHBondContact O-N 3.46Å
31	L	70.5	Confident	60.6	Low	125 Å²	125	105.5 Å²	105.5	65%	0.654	58%	0.584	S	S	*	*	H	α-helix	trans	-70.5	-38.4	172.7	-76.1	165.6	0	0	0	112.1	L27 A28 G34 L35	L27-L31 VanDerWaalsContact O-CB 3.29Å; L27-L31 WeakPolarHBondContact O-CB 3.22Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.13Å; L27-L31 PolarHBondContact O-N 3.34Å; A28-L31 PolarHBondContact O-N 2.86Å; L31-G34 PolarHBondContact O-N 3.2Å; L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 PolarHBondContact O-N 3.08Å
32	M	64.4	Low	59.9	Low	136 Å²	136	104.2 Å²	104.2	67%	0.67	60%	0.595	S	S	*	*	H	α-helix	trans	-63.6	-46.5	171.7	-69.3	-88.5	-75.6	0	0	110.4	A28 G34 L35 D36	A28-M32 WeakPolarHBondContact O-CB 3.3Å; A28-M32 WeakPolarHBondContact O-CG 3.49Å; A28-M32 PolarHBondContact O-N 3.38Å; M32-G34 VanDerWaalsContact C-N 3.28Å; M32-G34 PolarHBondContact O-N 3.46Å; M32-L35 PolarHBondContact O-N 2.82Å; M32-D36 VanDerWaalsContact O-CG 3.24Å; M32-D36 PolarHBondContact O-N 3.25Å
33	Q	60.3	Low	59	Low	111 Å²	111	109.3 Å²	109.3	52%	0.519	61%	0.614	S	S	.	*	H	α-helix	trans	-64.1	-29.8	174.2	-74.4	167.9	-8.1	0	0	113.4	R29	R29-Q33 WeakPolarHBondContact O-CB 3.43Å; R29-Q33 WeakPolarHBondContact O-CG 3.48Å; R29-Q33 PolarHBondContact O-N 3.38Å
34	G	56.6	Low	57.9	Low	39 Å²	39	112 Å²	112	40%	0.402	62%	0.622	S	S	.	*	H	α-helix	trans	-80.8	-26.4	178.5	0	0	0	0	0	114	S30 L31 M32	S30-G34 PolarHBondContact O-N 3.46Å; L31-G34 PolarHBondContact O-N 3.2Å; M32-G34 VanDerWaalsContact C-N 3.28Å; M32-G34 PolarHBondContact O-N 3.46Å
35	L	50.4	Low	56.8	Low	123 Å²	123	110.2 Å²	110.2	64%	0.644	61%	0.613	S	S	*	*	H	α-helix	trans	-79.2	-26	175.2	-159	70.7	0	0	0	111.9	L31 M32 L37	L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 PolarHBondContact O-N 3.08Å; M32-L35 PolarHBondContact O-N 2.82Å; L35-L37 PolarHBondContact O-N 3.47Å
36	D	46.3	Very low	56.3	Low	110 Å²	110	108.5 Å²	108.5	59%	0.588	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-10.6	176.8	-69.1	-26.1	0	0	0	114.4	M32	M32-D36 VanDerWaalsContact O-CG 3.24Å; M32-D36 PolarHBondContact O-N 3.25Å
37	L	48	Very low	56.2	Low	147 Å²	147	105.8 Å²	105.8	77%	0.77	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-9.3	-176.1	-70.3	173.1	0	0	0	114.9	L35	L35-L37 PolarHBondContact O-N 3.47Å
38	I	46.7	Very low	56.3	Low	157 Å²	157	102.8 Å²	102.8	81%	0.805	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	-20.1	-170.5	-55.3	179.5	0	0	0	114.1
39	D	43.3	Very low	56.3	Low	148 Å²	148	105.1 Å²	105.1	79%	0.791	59%	0.587	S	S	*	*	S	Bend	trans	-102.9	-19.7	178.8	-164.5	35.5	0	0	0	115.1
40	S	45.5	Very low	56.4	Low	79 Å²	79	105.7 Å²	105.7	55%	0.552	60%	0.596	S	S	*	*	S	Bend	trans	-113.9	98.2	179.3	40.8	0	0	0	0	110	A42	S40-A42 PolarHBondContact O-N 3.07Å
41	G	41.8	Very low	56.8	Low	71 Å²	71	106 Å²	106	73%	0.732	59%	0.586	S	S	*	*			trans	-39.3	130.2	170.2	0	0	0	0	0	111.4	F43	G41-F43 PolarHBondContact O-N 2.81Å
42	A	48.1	Very low	57.1	Low	99 Å²	99	106.9 Å²	106.9	82%	0.818	59%	0.591	S	S	*	*	S	Bend	trans	-26.6	115.4	177.2	0	0	0	0	0	113.6	S40 D44	S40-A42 PolarHBondContact O-N 3.07Å; A42-D44 PolarHBondContact O-N 3.17Å
43	F	46.8	Very low	58.1	Low	174 Å²	174	101.9 Å²	101.9	76%	0.763	57%	0.568	S	S	*	*			trans	35.3	77.9	155.4	-156.8	-118.1	0	0	0	112.8	G41 L45	G41-F43 PolarHBondContact O-N 2.81Å; F43-L45 HydrophobicContact CD1-CD2 3.28Å; F43-L45 HydrophobicContact CD1-CG 3.63Å; F43-L45 HydrophobicContact CE1-CD2 3.17Å; F43-L45 HydrophobicContact CE1-CG 4.06Å; F43-L45 HydrophobicContact CZ-CD2 4.35Å; F43-L45 PolarHBondContact O-N 3.07Å
44	D	49.5	Very low	59.6	Low	99 Å²	99	97.5 Å²	97.5	53%	0.529	55%	0.549	S	S	.	.			trans	-64.2	90.7	172.2	-173.9	11.4	0	0	0	108.9	A42 S46 D47	A42-D44 PolarHBondContact O-N 3.17Å; D44-S46 PolarHBondContact O-N 3.03Å; D44-S46 WeakPolarHBondContact OD1-CA 3.3Å; D44-S46 WeakPolarHBondContact OD1-CB 3.19Å; D44-S46 PolarHBondContact OD1-N 3.19Å; D44-S46 PolarHBondContact OD1-OG 3.38Å; D44-S46 PolarHBondContact OD2-OG 2.85Å; D44-D47 PolarHBondContact O-N 3.03Å; D44-D47 VanDerWaalsContact O-N 3.08Å
45	L	50	Low	61.5	Low	102 Å²	102	98.6 Å²	98.6	53%	0.534	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-6.6	171.1	-72.9	170.1	0	0	0	111.4	F43 R51	F43-L45 HydrophobicContact CD1-CD2 3.28Å; F43-L45 HydrophobicContact CD1-CG 3.63Å; F43-L45 HydrophobicContact CE1-CD2 3.17Å; F43-L45 HydrophobicContact CE1-CG 4.06Å; F43-L45 HydrophobicContact CZ-CD2 4.35Å; F43-L45 PolarHBondContact O-N 3.07Å; L45-R51 VanDerWaalsContact C-NH2 3.3Å; L45-R51 PolarHBondContact O-NE 3.44Å; L45-R51 PolarHBondContact O-NH1 2.99Å; L45-R51 VanDerWaalsContact O-NH1 3.1Å; L45-R51 PolarHBondContact O-NH2 3.48Å
46	S	56.3	Low	63.6	Low	78 Å²	78	93.1 Å²	93.1	55%	0.545	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-17.7	175	83.7	0	0	0	0	113.6	D44 W48	D44-S46 PolarHBondContact O-N 3.03Å; D44-S46 WeakPolarHBondContact OD1-CA 3.3Å; D44-S46 WeakPolarHBondContact OD1-CB 3.19Å; D44-S46 PolarHBondContact OD1-N 3.19Å; D44-S46 PolarHBondContact OD1-OG 3.38Å; D44-S46 PolarHBondContact OD2-OG 2.85Å; S46-W48 PolarHBondContact O-N 3.05Å
47	D	70.6	Confident	66	Low	46 Å²	46	88.1 Å²	88.1	25%	0.246	50%	0.496	C	S	.	.			trans	-83.8	89.6	179.8	-167.7	17.9	0	0	0	111.9	D44 D49 Q50	D44-D47 PolarHBondContact O-N 3.03Å; D44-D47 VanDerWaalsContact O-N 3.08Å; D47-D49 PolarHBondContact O-N 3.46Å; D47-D49 WeakPolarHBondContact OD1-CB 3.26Å; D47-D49 PolarHBondContact OD1-N 2.99Å; D47-Q50 PolarHBondContact O-N 2.94Å; D47-Q50 VanDerWaalsContact OD2-CG 3.28Å; D47-Q50 WeakPolarHBondContact OD2-CG 3.36Å; D47-Q50 PolarHBondContact OD2-NE2 3.26Å
48	W	75.8	Confident	68.1	Low	43 Å²	43	88.6 Å²	88.6	16%	0.163	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-63.1	-17.1	175.3	-69	102.9	0	0	0	113.7	S46 Q50 R51 E130 Y131 F134	S46-W48 PolarHBondContact O-N 3.05Å; W48-Q50 VanDerWaalsContact C-N 3.27Å; W48-Q50 PolarHBondContact O-N 3.32Å; W48-R51 HydrophobicContact CE3-CB 4.41Å; W48-R51 PolarHBondContact O-N 3.5Å; W48-E130 HydrophobicContact CZ2-CB 3.85Å; W48-Y131 HydrophobicContact CD2-CD2 4.45Å; W48-Y131 AromaticContact CE3-CD2 3.88Å; W48-Y131 HydrophobicContact CE3-CD2 3.88Å; W48-Y131 HydrophobicContact CZ3-CD2 4.21Å; W48-F134 HydrophobicContact CB-CD1 3.47Å; W48-F134 VanDerWaalsContact CB-CD1 3.47Å; W48-F134 HydrophobicContact CB-CD2 3.72Å; W48-F134 HydrophobicContact CB-CE1 3.38Å; W48-F134 HydrophobicContact CB-CE2 3.64Å; W48-F134 HydrophobicContact CB-CG 3.64Å; W48-F134 HydrophobicContact CB-CZ 3.47Å; W48-F134 VanDerWaalsContact CB-CZ 3.47Å; W48-F134 AromaticContact CD1-CD2 3.61Å; W48-F134 AromaticContact CD1-CG 3.63Å; W48-F134 HydrophobicContact CG-CB 4.14Å; W48-F134 AromaticContact CG-CD1 3.9Å; W48-F134 HydrophobicContact CG-CD1 3.9Å; W48-F134 AromaticContact CG-CD2 3.92Å; W48-F134 HydrophobicContact CG-CD2 3.92Å; W48-F134 HydrophobicContact CG-CE1 4.3Å; W48-F134 HydrophobicContact CG-CE2 4.32Å; W48-F134 AromaticContact CG-CG 3.69Å; W48-F134 HydrophobicContact CG-CG 3.69Å; W48-F134 HydrophobicContact CG-CZ 4.49Å
49	D	72.3	Confident	70.3	Confident	96 Å²	96	85.4 Å²	85.4	51%	0.513	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-71.6	-22.3	178	-77.1	-34.2	0	0	0	113.1	D47 F134 K138	D47-D49 PolarHBondContact O-N 3.46Å; D47-D49 WeakPolarHBondContact OD1-CB 3.26Å; D47-D49 PolarHBondContact OD1-N 2.99Å; D49-F134 WeakPolarHBondContact OD1-CZ 3.38Å; D49-K138 IonicContact OD1-NZ 3.26Å; D49-K138 PolarHBondContact OD1-NZ 2.68Å
50	Q	71	Confident	72.7	Confident	164 Å²	164	79.1 Å²	79.1	77%	0.766	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-94.9	-7.3	177.6	-65.6	174.2	28.7	0	0	113	D47 W48	D47-Q50 PolarHBondContact O-N 2.94Å; D47-Q50 VanDerWaalsContact OD2-CG 3.28Å; D47-Q50 WeakPolarHBondContact OD2-CG 3.36Å; D47-Q50 PolarHBondContact OD2-NE2 3.26Å; W48-Q50 VanDerWaalsContact C-N 3.27Å; W48-Q50 PolarHBondContact O-N 3.32Å
51	R	77.7	Confident	75	Confident	78 Å²	78	76.3 Å²	76.3	29%	0.294	43%	0.427	S	S	.	.	S	Bend	trans	-92.3	146.9	-177.4	-69.4	174.3	163.6	-163.9	-9.4	111.4	L45 W48	L45-R51 VanDerWaalsContact C-NH2 3.3Å; L45-R51 PolarHBondContact O-NE 3.44Å; L45-R51 PolarHBondContact O-NH1 2.99Å; L45-R51 VanDerWaalsContact O-NH1 3.1Å; L45-R51 PolarHBondContact O-NH2 3.48Å; W48-R51 HydrophobicContact CE3-CB 4.41Å; W48-R51 PolarHBondContact O-N 3.5Å
52	L	78.3	Confident	77.3	Confident	145 Å²	145	79.9 Å²	79.9	76%	0.759	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-64.8	136.5	164.7	-73.9	169.6	0	0	0	108.9
53	P	84.8	Confident	79.4	Confident	30 Å²	30	80.4 Å²	80.4	20%	0.195	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-63.4	144.4	178.9	29.7	-36.4	0	0	0	109.7	N115 Y131	P53-N115 VanDerWaalsContact CB-OD1 3.29Å; P53-N115 WeakPolarHBondContact CB-OD1 3.43Å; P53-Y131 HydrophobicContact CB-CE2 4.16Å; P53-Y131 VanDerWaalsContact CB-OH 3.3Å; P53-Y131 WeakPolarHBondContact CB-OH 3.28Å
54	P	92.3	Very high	81.7	Confident	19 Å²	19	72.6 Å²	72.6	12%	0.123	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.3	165.7	-177.3	22.5	-26.8	0	0	0	111.5	T114 N115 T126 N128 Y131	P54-T114 CarbonylContact O-C 3.58Å; P54-N115 WeakPolarHBondContact O-CB 3.37Å; P54-N115 PolarHBondContact O-N 3.01Å; P54-T126 HydrophobicContact CG-CG2 4.06Å; P54-N128 HydrophobicContact CB-CB 4.36Å; P54-N128 HydrophobicContact CG-CB 4.19Å; P54-Y131 VanDerWaalsContact CD-CE2 3.5Å; P54-Y131 VanDerWaalsContact CD-CG 3.41Å; P54-Y131 HydrophobicContact CG-CD1 3.43Å; P54-Y131 VanDerWaalsContact CG-CD1 3.43Å; P54-Y131 HydrophobicContact CG-CD2 3.88Å; P54-Y131 HydrophobicContact CG-CE1 3.99Å; P54-Y131 HydrophobicContact CG-CE2 4.39Å; P54-Y131 HydrophobicContact CG-CG 3.36Å
55	P	95.4	Very high	83.8	Confident	63 Å²	63	71.2 Å²	71.2	41%	0.409	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-60.2	153.1	175.3	26.3	-35.7	0	0	0	111.8	T126	P55-T126 WeakPolarHBondContact O-CG2 3.45Å
56	A	95.6	Very high	86	Confident	8 Å²	8	70.2 Å²	70.2	7%	0.066	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-63	149.2	173.9	0	0	0	0	0	111.2	K58 V61 L111 N115 L124	A56-K58 PolarHBondContact O-N 3.26Å; A56-V61 HydrophobicContact CB-CG2 3.56Å; A56-L111 HydrophobicContact CB-CB 4.23Å; A56-L111 HydrophobicContact CB-CD2 4.32Å; A56-L111 PolarHBondContact N-O 3.37Å; A56-N115 HydrophobicContact CB-CB 4.11Å; A56-L124 HydrophobicContact CB-CB 4.2Å; A56-L124 HydrophobicContact CB-CD1 4.2Å
57	A	95.8	Very high	87.8	Confident	4 Å²	4	68.4 Å²	68.4	3%	0.033	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-57.8	134.5	173.2	0	0	0	0	0	110	T59 A60 V61 P125 D127	A57-T59 PolarHBondContact O-N 2.77Å; A57-A60 HydrophobicContact CB-CB 4.05Å; A57-A60 WeakPolarHBondContact O-CB 3.45Å; A57-A60 PolarHBondContact O-N 2.94Å; A57-V61 WeakPolarHBondContact O-CG2 3.45Å; A57-V61 PolarHBondContact O-N 2.76Å; A57-P125 WeakPolarHBondContact CB-O 3.3Å; A57-P125 PolarHBondContact N-O 3.42Å; A57-D127 WeakPolarHBondContact CA-OD2 3.35Å; A57-D127 WeakPolarHBondContact CB-OD1 3.4Å
58	K	92.8	Very high	88.9	Confident	158 Å²	158	70.2 Å²	70.2	69%	0.687	38%	0.376	S	S	*	.	H	α-helix	trans	-58.8	-36.8	-176.4	-66	177.9	-176.6	173.6	0	111.9	A56 V61 Q62 D127	A56-K58 PolarHBondContact O-N 3.26Å; K58-V61 PolarHBondContact O-N 2.86Å; K58-Q62 VanDerWaalsContact O-CG 3.26Å; K58-Q62 WeakPolarHBondContact O-CG 3.16Å; K58-Q62 PolarHBondContact O-N 3.11Å; K58-D127 PolarHBondContact N-OD2 3.04Å
59	T	93.3	Very high	89.7	Confident	90 Å²	90	68.2 Å²	68.2	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-63.1	-47	175.9	51.4	0	0	0	0	111.2	A57 V61 Q62 T63	A57-T59 PolarHBondContact O-N 2.77Å; T59-V61 VanDerWaalsContact C-N 3.31Å; T59-V61 PolarHBondContact O-N 3.15Å; T59-Q62 PolarHBondContact O-N 3.06Å; T59-T63 WeakPolarHBondContact O-CG2 3.48Å; T59-T63 PolarHBondContact O-N 2.84Å; T59-T63 PolarHBondContact O-OG1 3.34Å; T59-T63 VanDerWaalsContact O-OG1 3.07Å
60	A	93.2	Very high	90.6	Very high	15 Å²	15	66.1 Å²	66.1	12%	0.124	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-42.3	178	0	0	0	0	0	111.8	A57 T63 L64	A57-A60 HydrophobicContact CB-CB 4.05Å; A57-A60 WeakPolarHBondContact O-CB 3.45Å; A57-A60 PolarHBondContact O-N 2.94Å; A60-T63 WeakPolarHBondContact CA-OG1 3.16Å; A60-T63 PolarHBondContact O-N 2.89Å; A60-T63 PolarHBondContact O-OG1 3.41Å; A60-L64 PolarHBondContact O-N 3.35Å
61	V	93.4	Very high	91.5	Very high	20 Å²	20	60.2 Å²	60.2	12%	0.121	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-41.7	176.8	-179.8	0	0	0	0	111.9	A56 A57 K58 T59 T63 L64 L108 L111	A56-V61 HydrophobicContact CB-CG2 3.56Å; A57-V61 WeakPolarHBondContact O-CG2 3.45Å; A57-V61 PolarHBondContact O-N 2.76Å; K58-V61 PolarHBondContact O-N 2.86Å; T59-V61 VanDerWaalsContact C-N 3.31Å; T59-V61 PolarHBondContact O-N 3.15Å; V61-T63 VanDerWaalsContact C-N 3.33Å; V61-T63 PolarHBondContact O-N 3.16Å; V61-L64 HydrophobicContact CG1-CD1 4.38Å; V61-L64 WeakPolarHBondContact O-CB 3.41Å; V61-L64 VanDerWaalsContact O-CG 3.31Å; V61-L64 WeakPolarHBondContact O-CG 3.31Å; V61-L64 PolarHBondContact O-N 2.9Å; V61-L108 HydrophobicContact CG1-CD2 3.29Å; V61-L111 HydrophobicContact CG1-CD1 4.29Å; V61-L111 HydrophobicContact CG2-CB 3.91Å; V61-L111 HydrophobicContact CG2-CD1 4.04Å
62	Q	90.9	Very high	92	Very high	146 Å²	146	62.8 Å²	62.8	68%	0.682	36%	0.356	S	S	*	.	H	α-helix	trans	-66.9	-34.5	179.1	-74.1	172.6	-7.2	0	0	112.6	K58 T59 L64	K58-Q62 VanDerWaalsContact O-CG 3.26Å; K58-Q62 WeakPolarHBondContact O-CG 3.16Å; K58-Q62 PolarHBondContact O-N 3.11Å; T59-Q62 PolarHBondContact O-N 3.06Å; Q62-L64 PolarHBondContact O-N 3Å
63	T	92.9	Very high	92.3	Very high	110 Å²	110	58.3 Å²	58.3	68%	0.675	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-4	178.8	53.8	0	0	0	0	114.5	T59 A60 V61 T65	T59-T63 WeakPolarHBondContact O-CG2 3.48Å; T59-T63 PolarHBondContact O-N 2.84Å; T59-T63 PolarHBondContact O-OG1 3.34Å; T59-T63 VanDerWaalsContact O-OG1 3.07Å; A60-T63 WeakPolarHBondContact CA-OG1 3.16Å; A60-T63 PolarHBondContact O-N 2.89Å; A60-T63 PolarHBondContact O-OG1 3.41Å; V61-T63 VanDerWaalsContact C-N 3.33Å; V61-T63 PolarHBondContact O-N 3.16Å; T63-T65 PolarHBondContact O-N 3.19Å
64	L	93.4	Very high	92.4	Very high	11 Å²	11	58.1 Å²	58.1	6%	0.058	33%	0.332	C	S	.	.	S	Bend	trans	-57.5	134.4	177.8	-70.8	176.6	0	0	0	111.3	A60 V61 Q62 V66 R94 M96 L111 L124	A60-L64 PolarHBondContact O-N 3.35Å; V61-L64 HydrophobicContact CG1-CD1 4.38Å; V61-L64 WeakPolarHBondContact O-CB 3.41Å; V61-L64 VanDerWaalsContact O-CG 3.31Å; V61-L64 WeakPolarHBondContact O-CG 3.31Å; V61-L64 PolarHBondContact O-N 2.9Å; Q62-L64 PolarHBondContact O-N 3Å; L64-V66 PolarHBondContact O-N 3.38Å; L64-R94 PolarHBondContact O-NH1 2.79Å; L64-M96 HydrophobicContact CD1-SD 4.06Å; L64-M96 HydrophobicContact CD2-SD 3.96Å; L64-L111 HydrophobicContact CD1-CD1 3.57Å; L64-L124 HydrophobicContact CD2-CD1 4.29Å
65	T	94.6	Very high	92.1	Very high	69 Å²	69	64 Å²	64	42%	0.423	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	126.8	-178.5	41.6	0	0	0	0	109.7	T63 E95	T63-T65 PolarHBondContact O-N 3.19Å; T65-E95 WeakPolarHBondContact CB-OE2 3.44Å; T65-E95 PolarHBondContact O-N 3.49Å; T65-E95 VanDerWaalsContact OG1-CB 3.3Å; T65-E95 WeakPolarHBondContact OG1-CB 3.26Å; T65-E95 PolarHBondContact OG1-O 3.3Å; T65-E95 PolarHBondContact OG1-OE2 2.9Å
66	V	95.1	Very high	91.7	Very high	81 Å²	81	68.1 Å²	68.1	49%	0.491	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.3	172.2	-176.7	0	0	0	0	107.1	L64 V93 R94	L64-V66 PolarHBondContact O-N 3.38Å; V66-V93 WeakPolarHBondContact CA-O 3.36Å; V66-R94 VanDerWaalsContact CG2-NH1 3.25Å
67	V	93.9	Very high	91.3	Very high	41 Å²	41	69 Å²	69	25%	0.248	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.4	179.1	-177.9	0	0	0	0	108	V93 E95	V67-V93 HydrophobicContact CB-CG2 4.12Å; V67-V93 PolarHBondContact N-O 3.04Å; V67-V93 WeakPolarHBondContact O-CG2 3.29Å; V67-V93 PolarHBondContact O-N 3.3Å; V67-E95 HydrophobicContact CG2-CB 3.89Å
68	V	94.3	Very high	91	Very high	83 Å²	83	71.9 Å²	71.9	50%	0.503	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.1	172.1	-179.1	0	0	0	0	107.8	S70 Q90 E91 T92	V68-S70 PolarHBondContact O-N 3.14Å; V68-Q90 HydrophobicContact CG1-CB 4.46Å; V68-E91 WeakPolarHBondContact CA-O 3.42Å; V68-T92 HydrophobicContact CG2-CG2 4.26Å
69	I	93.4	Very high	91.1	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.01	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-71.2	123.9	179.7	-61.4	-68.9	0	0	0	109.4	Q73 A74 F87 E88 Q90 E91 V93 L101	I69-Q73 HydrophobicContact CG2-CB 3.91Å; I69-A74 HydrophobicContact CG2-CB 4.26Å; I69-F87 HydrophobicContact CD1-CB 4.15Å; I69-F87 HydrophobicContact CD1-CD2 4.27Å; I69-F87 HydrophobicContact CD1-CG 4.14Å; I69-F87 HydrophobicContact CG1-CB 3.93Å; I69-F87 HydrophobicContact CG1-CG 4.27Å; I69-F87 HydrophobicContact CG2-CB 4.17Å; I69-E88 WeakPolarHBondContact CB-O 3.16Å; I69-E88 WeakPolarHBondContact CG2-O 3.42Å; I69-Q90 PolarHBondContact O-N 3.47Å; I69-E91 PolarHBondContact N-O 3.25Å; I69-V93 HydrophobicContact CD1-CB 4.49Å; I69-V93 HydrophobicContact CD1-CG1 4Å; I69-V93 HydrophobicContact CD1-CG2 3.66Å; I69-V93 HydrophobicContact CG1-CG1 3.77Å; I69-V93 HydrophobicContact CG1-CG2 4.02Å; I69-L101 HydrophobicContact CD1-CD1 4.44Å
70	S	91.3	Very high	91.2	Very high	52 Å²	52	65.2 Å²	65.2	36%	0.364	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-79.9	158.9	174.4	59.5	0	0	0	0	111.7	V68 E72 Q73 A74	V68-S70 PolarHBondContact O-N 3.14Å; S70-E72 VanDerWaalsContact C-N 3.28Å; S70-E72 PolarHBondContact O-N 2.99Å; S70-Q73 WeakPolarHBondContact O-CB 3.45Å; S70-Q73 PolarHBondContact O-N 2.89Å; S70-Q73 VanDerWaalsContact OG-CD 3.31Å; S70-Q73 VanDerWaalsContact OG-CG 3.32Å; S70-Q73 WeakPolarHBondContact OG-CG 3.4Å; S70-Q73 PolarHBondContact OG-OE1 3.15Å; S70-A74 PolarHBondContact O-N 2.8Å
71	A	88.3	Confident	91.2	Very high	39 Å²	39	66.8 Å²	66.8	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-54.9	-42.4	177.2	0	0	0	0	0	112.4	Q73 A74 D75 E89	A71-Q73 PolarHBondContact O-N 3.4Å; A71-A74 PolarHBondContact O-N 3.24Å; A71-D75 WeakPolarHBondContact O-CB 3.27Å; A71-D75 VanDerWaalsContact O-CG 3.24Å; A71-D75 PolarHBondContact O-N 3.01Å; A71-E89 HydrophobicContact CB-CG 4.07Å
72	E	88.2	Confident	91.3	Very high	133 Å²	133	68.7 Å²	68.7	62%	0.621	38%	0.382	S	S	*	.	H	α-helix	trans	-61.9	-30.1	176.8	-61.2	-176.8	-169.5	0	0	113.6	S70 K76	S70-E72 VanDerWaalsContact C-N 3.28Å; S70-E72 PolarHBondContact O-N 2.99Å; E72-K76 VanDerWaalsContact O-CD 3.31Å; E72-K76 WeakPolarHBondContact O-CD 3.42Å; E72-K76 WeakPolarHBondContact O-CG 3.36Å; E72-K76 PolarHBondContact O-N 3.27Å
73	Q	86.3	Confident	91.6	Very high	51 Å²	51	64 Å²	64	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-78.1	-38.6	178.4	-78.7	172.4	-48.2	0	0	111.4	I69 S70 A71 K76 L78	I69-Q73 HydrophobicContact CG2-CB 3.91Å; S70-Q73 WeakPolarHBondContact O-CB 3.45Å; S70-Q73 PolarHBondContact O-N 2.89Å; S70-Q73 VanDerWaalsContact OG-CD 3.31Å; S70-Q73 VanDerWaalsContact OG-CG 3.32Å; S70-Q73 WeakPolarHBondContact OG-CG 3.4Å; S70-Q73 PolarHBondContact OG-OE1 3.15Å; A71-Q73 PolarHBondContact O-N 3.4Å; Q73-K76 PolarHBondContact O-N 3.36Å; Q73-L78 HydrophobicContact CB-CD1 3.63Å; Q73-L78 HydrophobicContact CG-CD1 3.78Å
74	A	85.3	Confident	91.6	Very high	26 Å²	26	64.9 Å²	64.9	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-44.5	171.7	0	0	0	0	0	110.8	I69 S70 A71 K76 G77 E89	I69-A74 HydrophobicContact CG2-CB 4.26Å; S70-A74 PolarHBondContact O-N 2.8Å; A71-A74 PolarHBondContact O-N 3.24Å; A74-K76 VanDerWaalsContact C-N 3.26Å; A74-K76 PolarHBondContact O-N 3.17Å; A74-G77 WeakPolarHBondContact O-CA 3.43Å; A74-G77 PolarHBondContact O-N 3.37Å; A74-E89 HydrophobicContact CB-CB 4.39Å
75	D	86.1	Confident	91.7	Very high	142 Å²	142	69.6 Å²	69.6	76%	0.759	39%	0.389	S	S	*	.	H	α-helix	trans	-62.8	-30.2	177.9	-71.1	-21.3	0	0	0	113.1	A71 G77	A71-D75 WeakPolarHBondContact O-CB 3.27Å; A71-D75 VanDerWaalsContact O-CG 3.24Å; A71-D75 PolarHBondContact O-N 3.01Å; D75-G77 PolarHBondContact O-N 3.41Å
76	K	88.4	Confident	91.7	Very high	150 Å²	150	71.7 Å²	71.7	65%	0.652	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-5.4	173.4	-75.2	166.9	-168	165.9	0	113.2	E72 Q73 A74 L78	E72-K76 VanDerWaalsContact O-CD 3.31Å; E72-K76 WeakPolarHBondContact O-CD 3.42Å; E72-K76 WeakPolarHBondContact O-CG 3.36Å; E72-K76 PolarHBondContact O-N 3.27Å; Q73-K76 PolarHBondContact O-N 3.36Å; A74-K76 VanDerWaalsContact C-N 3.26Å; A74-K76 PolarHBondContact O-N 3.17Å; K76-L78 PolarHBondContact O-N 3.48Å
77	G	86.5	Confident	91.6	Very high	26 Å²	26	68.1 Å²	68.1	27%	0.268	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	39.6	179.7	0	0	0	0	0	112.7	A74 D75 K79	A74-G77 WeakPolarHBondContact O-CA 3.43Å; A74-G77 PolarHBondContact O-N 3.37Å; D75-G77 PolarHBondContact O-N 3.41Å; G77-K79 WeakPolarHBondContact O-CG 3.47Å; G77-K79 PolarHBondContact O-N 2.85Å
78	L	90.3	Very high	91.5	Very high	64 Å²	64	73 Å²	73	34%	0.335	39%	0.392	S	S	.	.			trans	-60.7	135.8	173	-79.3	159.7	0	0	0	109.6	Q73 K76 E86 F87	Q73-L78 HydrophobicContact CB-CD1 3.63Å; Q73-L78 HydrophobicContact CG-CD1 3.78Å; K76-L78 PolarHBondContact O-N 3.48Å; L78-E86 WeakPolarHBondContact O-CA 3.32Å; L78-F87 HydrophobicContact CB-CD2 3.79Å; L78-F87 HydrophobicContact CB-CE2 4.38Å; L78-F87 VanDerWaalsContact O-CD2 3.29Å; L78-F87 WeakPolarHBondContact O-CD2 3.32Å; L78-F87 PolarHBondContact O-N 3.46Å
79	K	93.7	Very high	91.3	Very high	109 Å²	109	74.1 Å²	74.1	47%	0.474	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-123.1	146.9	-175.4	-65.2	176.4	-162.8	-135.6	0	111.3	G77 P81 L85 E86 F87	G77-K79 WeakPolarHBondContact O-CG 3.47Å; G77-K79 PolarHBondContact O-N 2.85Å; K79-P81 WeakPolarHBondContact O-CD 3.44Å; K79-L85 CarbonylContact C-O 3.59Å; K79-L85 VanDerWaalsContact CA-O 3.26Å; K79-L85 WeakPolarHBondContact CA-O 3.41Å; K79-E86 HydrophobicContact CD-CG 4.03Å; K79-E86 WeakPolarHBondContact CE-OE1 3.23Å; K79-E86 HydrophobicContact CG-CB 4.42Å; K79-E86 HydrophobicContact CG-CG 3.59Å; K79-E86 IonicContact NZ-OE1 3.61Å; K79-E86 PolarHBondContact NZ-OE1 3.02Å; K79-F87 VanDerWaalsContact C-CE2 3.42Å
80	C	95.8	Very high	91.1	Very high	0 Å²	0	80.6 Å²	80.6	0%	0	42%	0.422	C	S	.	.			trans	-73.8	122.2	168.9	-178.7	0	0	0	0	109.9	V82 C83 L84 L85 F87 H103	C80-V82 PolarHBondContact O-N 2.88Å; C80-C83 VanDerWaalsContact CB-SG 3.58Å; C80-L84 WeakPolarHBondContact O-CA 3.26Å; C80-L84 PolarHBondContact O-N 3.38Å; C80-L85 PolarHBondContact N-O 3.23Å; C80-F87 HydrophobicContact CB-CE1 3.79Å; C80-F87 HydrophobicContact CB-CZ 3.67Å; C80-H103 WeakPolarHBondContact CB-CE1 3.45Å; C80-H103 WeakPolarHBondContact CB-ND1 3.3Å
81	P	94	Very high	91.1	Very high	47 Å²	47	80.8 Å²	80.8	31%	0.305	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.5	-178.3	-19.4	29.3	0	0	0	115	K79 F102 L119	K79-P81 WeakPolarHBondContact O-CD 3.44Å; P81-F102 HydrophobicContact CB-CE1 4.17Å; P81-F102 HydrophobicContact CG-CD1 4.34Å; P81-F102 HydrophobicContact CG-CE1 3.81Å; P81-F102 HydrophobicContact CG-CZ 4.49Å; P81-L119 HydrophobicContact CB-CD1 4.22Å; P81-L119 HydrophobicContact CB-CD2 3.84Å; P81-L119 HydrophobicContact CB-CG 4.09Å; P81-L119 HydrophobicContact CG-CD1 3.54Å; P81-L119 HydrophobicContact CG-CD2 4.08Å; P81-L119 HydrophobicContact CG-CG 3.96Å
82	V	95.2	Very high	91.4	Very high	61 Å²	61	82.8 Å²	82.8	37%	0.37	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-49.1	-175.6	176.7	0	0	0	0	111.5	C80 F102 C106 P118	C80-V82 PolarHBondContact O-N 2.88Å; V82-F102 HydrophobicContact CG2-CD1 3.75Å; V82-F102 HydrophobicContact CG2-CE1 3.98Å; V82-C106 HydrophobicContact CB-CB 3.88Å; V82-C106 HydrophobicContact CG1-CB 3.87Å; V82-C106 HydrophobicContact CG2-CB 4.42Å; V82-P118 HydrophobicContact CG2-CB 4.48Å; V82-P118 HydrophobicContact CG2-CG 4.19Å
83	C	95.9	Very high	91.7	Very high	47 Å²	47	76.5 Å²	76.5	32%	0.318	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-8.5	178	62.2	0	0	0	0	113.6	C80 L85 H103	C80-C83 VanDerWaalsContact CB-SG 3.58Å; C83-L85 HydrophobicContact CB-CD1 4.4Å; C83-L85 HydrophobicContact CB-CG 4.25Å; C83-L85 PolarHBondContact O-N 3.43Å; C83-L85 VanDerWaalsContact O-N 3.17Å; C83-H103 PolarHBondContact SG-CE1 3.23Å; C83-H103 PolarHBondContact SG-ND1 2.89Å
84	L	94.4	Very high	92.2	Very high	129 Å²	129	76.5 Å²	76.5	68%	0.675	39%	0.394	S	S	*	.			trans	62.4	13.9	-178.6	-50.2	177.8	0	0	0	114.7	C80	C80-L84 WeakPolarHBondContact O-CA 3.26Å; C80-L84 PolarHBondContact O-N 3.38Å
85	L	94.5	Very high	92.7	Very high	110 Å²	110	76.6 Å²	76.6	58%	0.576	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-87.3	148.3	176	-57.8	177.9	0	0	0	111.2	K79 C80 C83	K79-L85 CarbonylContact C-O 3.59Å; K79-L85 VanDerWaalsContact CA-O 3.26Å; K79-L85 WeakPolarHBondContact CA-O 3.41Å; C80-L85 PolarHBondContact N-O 3.23Å; C83-L85 HydrophobicContact CB-CD1 4.4Å; C83-L85 HydrophobicContact CB-CG 4.25Å; C83-L85 PolarHBondContact O-N 3.43Å; C83-L85 VanDerWaalsContact O-N 3.17Å
86	E	94.3	Very high	93.2	Very high	112 Å²	112	69.9 Å²	69.9	52%	0.523	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-69.5	146.4	172.8	-73.5	168.1	-175.8	0	0	110.6	L78 K79	L78-E86 WeakPolarHBondContact O-CA 3.32Å; K79-E86 HydrophobicContact CD-CG 4.03Å; K79-E86 WeakPolarHBondContact CE-OE1 3.23Å; K79-E86 HydrophobicContact CG-CB 4.42Å; K79-E86 HydrophobicContact CG-CG 3.59Å; K79-E86 IonicContact NZ-OE1 3.61Å; K79-E86 PolarHBondContact NZ-OE1 3.02Å
87	F	93.8	Very high	93.5	Very high	7 Å²	7	66.6 Å²	66.6	3%	0.031	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-81.3	139.7	173.1	-64	-64.7	0	0	0	110.8	I69 L78 K79 C80 E91 V93 L101 H103	I69-F87 HydrophobicContact CD1-CB 4.15Å; I69-F87 HydrophobicContact CD1-CD2 4.27Å; I69-F87 HydrophobicContact CD1-CG 4.14Å; I69-F87 HydrophobicContact CG1-CB 3.93Å; I69-F87 HydrophobicContact CG1-CG 4.27Å; I69-F87 HydrophobicContact CG2-CB 4.17Å; L78-F87 HydrophobicContact CB-CD2 3.79Å; L78-F87 HydrophobicContact CB-CE2 4.38Å; L78-F87 VanDerWaalsContact O-CD2 3.29Å; L78-F87 WeakPolarHBondContact O-CD2 3.32Å; L78-F87 PolarHBondContact O-N 3.46Å; K79-F87 VanDerWaalsContact C-CE2 3.42Å; C80-F87 HydrophobicContact CB-CE1 3.79Å; C80-F87 HydrophobicContact CB-CZ 3.67Å; F87-E91 WeakPolarHBondContact CA-OE2 3.35Å; F87-V93 HydrophobicContact CD1-CG1 3.37Å; F87-V93 HydrophobicContact CE1-CB 4.3Å; F87-V93 HydrophobicContact CE1-CG1 3.36Å; F87-V93 HydrophobicContact CG-CG1 4.18Å; F87-V93 HydrophobicContact CZ-CG1 4.17Å; F87-L101 HydrophobicContact CE2-CB 4.25Å; F87-L101 HydrophobicContact CZ-CB 4.21Å; F87-H103 AromaticContact CD1-CD2 3.63Å; F87-H103 AromaticContact CD1-CE1 3.87Å; F87-H103 AromaticContact CD1-NE2 3.16Å; F87-H103 WeakPolarHBondContact CD1-NE2 3.25Å; F87-H103 AromaticContact CE1-CD2 3.54Å; F87-H103 AromaticContact CE1-CE1 3.72Å; F87-H103 AromaticContact CE1-CG 3.98Å; F87-H103 AromaticContact CE1-NE2 3.34Å; F87-H103 VanDerWaalsContact CE1-NE2 3.34Å; F87-H103 WeakPolarHBondContact CE1-NE2 3.32Å
88	E	91.3	Very high	94	Very high	144 Å²	144	66.9 Å²	66.9	67%	0.673	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-88.8	155.7	176.6	-64.4	-177.3	-179.8	0	0	111.8	I69 Q90 E91	I69-E88 WeakPolarHBondContact CB-O 3.16Å; I69-E88 WeakPolarHBondContact CG2-O 3.42Å; E88-Q90 PolarHBondContact O-N 2.93Å; E88-E91 HydrophobicContact CB-CB 4.27Å; E88-E91 PolarHBondContact N-OE2 3.2Å; E88-E91 WeakPolarHBondContact O-CB 3.22Å; E88-E91 PolarHBondContact O-N 3.23Å
89	E	90.7	Very high	94.2	Very high	106 Å²	106	70.5 Å²	70.5	50%	0.495	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	139.6	172.5	-166.3	-164.1	154.3	0	0	110.2	A71 A74 E91	A71-E89 HydrophobicContact CB-CG 4.07Å; A74-E89 HydrophobicContact CB-CB 4.39Å; E89-E91 PolarHBondContact O-N 3.43Å; E89-E91 VanDerWaalsContact O-N 3.13Å
90	Q	89.3	Confident	94.3	Very high	138 Å²	138	68.1 Å²	68.1	65%	0.645	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	7.8	-178.2	-61	150.1	40.8	0	0	114.2	V68 I69 E88	V68-Q90 HydrophobicContact CG1-CB 4.46Å; I69-Q90 PolarHBondContact O-N 3.47Å; E88-Q90 PolarHBondContact O-N 2.93Å
91	E	91.8	Very high	94.3	Very high	56 Å²	56	69.7 Å²	69.7	26%	0.262	36%	0.357	S	S	.	.			trans	-70.3	141.7	174.3	-167.6	173.6	-171	0	0	111.5	V68 I69 F87 E88 E89 H103	V68-E91 WeakPolarHBondContact CA-O 3.42Å; I69-E91 PolarHBondContact N-O 3.25Å; F87-E91 WeakPolarHBondContact CA-OE2 3.35Å; E88-E91 HydrophobicContact CB-CB 4.27Å; E88-E91 PolarHBondContact N-OE2 3.2Å; E88-E91 WeakPolarHBondContact O-CB 3.22Å; E88-E91 PolarHBondContact O-N 3.23Å; E89-E91 PolarHBondContact O-N 3.43Å; E89-E91 VanDerWaalsContact O-N 3.13Å; E91-H103 IonicContact OE1-CD2 2.7Å; E91-H103 PolarHBondContact OE1-CD2 3.33Å; E91-H103 IonicContact OE1-NE2 3.95Å; E91-H103 PolarHBondContact OE1-NE2 3.05Å; E91-H103 IonicContact OE2-CD2 3.58Å; E91-H103 IonicContact OE2-NE2 2.79Å
92	T	93.6	Very high	94.4	Very high	81 Å²	81	67.4 Å²	67.4	50%	0.497	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.7	179.4	53.9	0	0	0	0	111.3	V68	V68-T92 HydrophobicContact CG2-CG2 4.26Å
93	V	95.3	Very high	94.4	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	158.9	179.4	-58.8	0	0	0	0	110.9	V66 V67 I69 F87 L101 F102	V66-V93 WeakPolarHBondContact CA-O 3.36Å; V67-V93 HydrophobicContact CB-CG2 4.12Å; V67-V93 PolarHBondContact N-O 3.04Å; V67-V93 WeakPolarHBondContact O-CG2 3.29Å; V67-V93 PolarHBondContact O-N 3.3Å; I69-V93 HydrophobicContact CD1-CB 4.49Å; I69-V93 HydrophobicContact CD1-CG1 4Å; I69-V93 HydrophobicContact CD1-CG2 3.66Å; I69-V93 HydrophobicContact CG1-CG1 3.77Å; I69-V93 HydrophobicContact CG1-CG2 4.02Å; F87-V93 HydrophobicContact CD1-CG1 3.37Å; F87-V93 HydrophobicContact CE1-CB 4.3Å; F87-V93 HydrophobicContact CE1-CG1 3.36Å; F87-V93 HydrophobicContact CG-CG1 4.18Å; F87-V93 HydrophobicContact CZ-CG1 4.17Å; V93-L101 HydrophobicContact CG2-CD2 4.07Å; V93-F102 WeakPolarHBondContact CB-O 3.42Å
94	R	95.9	Very high	94.3	Very high	51 Å²	51	64.9 Å²	64.9	19%	0.192	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.4	173.2	-68.9	-72.1	-179	164.3	2.2	109	L64 V66 F102 S104 I107	L64-R94 PolarHBondContact O-NH1 2.79Å; V66-R94 VanDerWaalsContact CG2-NH1 3.25Å; R94-F102 PolarHBondContact N-O 3.37Å; R94-F102 PolarHBondContact O-N 3.48Å; R94-S104 WeakPolarHBondContact CG-OG 3.24Å; R94-I107 HydrophobicContact CB-CG2 3.74Å; R94-I107 HydrophobicContact CG-CG2 3.99Å
95	E	95.9	Very high	94.3	Very high	28 Å²	28	61.8 Å²	61.8	13%	0.131	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.2	174.9	178.7	-162.3	-158.8	0	0	109.1	T65 V67 K99 H100 L101	T65-E95 WeakPolarHBondContact CB-OE2 3.44Å; T65-E95 PolarHBondContact O-N 3.49Å; T65-E95 VanDerWaalsContact OG1-CB 3.3Å; T65-E95 WeakPolarHBondContact OG1-CB 3.26Å; T65-E95 PolarHBondContact OG1-O 3.3Å; T65-E95 PolarHBondContact OG1-OE2 2.9Å; V67-E95 HydrophobicContact CG2-CB 3.89Å; E95-K99 WeakPolarHBondContact OE1-CD 3.18Å; E95-K99 WeakPolarHBondContact OE1-CE 3.49Å; E95-K99 IonicContact OE1-NZ 2.82Å; E95-K99 PolarHBondContact OE1-NZ 2.95Å; E95-K99 IonicContact OE2-NZ 3.73Å; E95-H100 WeakPolarHBondContact CA-O 3.2Å; E95-L101 HydrophobicContact CB-CD2 3.59Å; E95-L101 HydrophobicContact CG-CD2 3.86Å
96	M	96.1	Very high	94.4	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-79.1	160	173.8	-70	-69.5	-72.2	0	0	110.7	L64 C98 K99 H100 F102 I107 L111 C117 L124	L64-M96 HydrophobicContact CD1-SD 4.06Å; L64-M96 HydrophobicContact CD2-SD 3.96Å; M96-C98 WeakPolarHBondContact CB-SG 3.35Å; M96-C98 PolarHBondContact O-N 2.76Å; M96-K99 WeakPolarHBondContact O-CA 3.49Å; M96-K99 PolarHBondContact O-N 3.43Å; M96-H100 PolarHBondContact N-O 3.03Å; M96-F102 HydrophobicContact CG-CD2 3.95Å; M96-F102 HydrophobicContact CG-CE2 3.7Å; M96-I107 HydrophobicContact SD-CD1 4.26Å; M96-I107 HydrophobicContact SD-CG1 4.18Å; M96-L111 HydrophobicContact CE-CD2 4.23Å; M96-L111 HydrophobicContact SD-CD1 4.05Å; M96-C117 HydrophobicContact CE-CB 4.06Å; M96-L124 HydrophobicContact CE-CD1 3.79Å; M96-L124 HydrophobicContact CE-CD2 4.08Å; M96-L124 HydrophobicContact CE-CG 3.87Å; M96-L124 HydrophobicContact SD-CD1 4.32Å
97	P	95.7	Very high	94.5	Very high	82 Å²	82	52.5 Å²	52.5	53%	0.532	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.7	176.1	-25.5	35.2	0	0	0	114.1	K99 L122 L124	P97-K99 PolarHBondContact O-N 2.77Å; P97-L122 HydrophobicContact CB-CD2 4.12Å; P97-L124 HydrophobicContact CG-CD2 3.67Å
98	C	96.4	Very high	94.5	Very high	31 Å²	31	55.5 Å²	55.5	21%	0.209	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	8.7	172.2	54.7	0	0	0	0	114.9	M96 H100 C120 L122	M96-C98 WeakPolarHBondContact CB-SG 3.35Å; M96-C98 PolarHBondContact O-N 2.76Å; C98-H100 VanDerWaalsContact C-N 3.28Å; C98-H100 PolarHBondContact O-N 3Å; C98-H100 PolarHBondContact SG-ND1 3.47Å; C98-C120 VanDerWaalsContact CB-SG 3.53Å; C98-C120 PolarHBondContact SG-SG 3.38Å; C98-L122 HydrophobicContact CB-CB 4.19Å; C98-L122 HydrophobicContact CB-CD2 3.61Å
99	K	94.8	Very high	94.7	Very high	141 Å²	141	52.2 Å²	52.2	61%	0.613	29%	0.288	S	S	*	.	S	Bend	trans	70.9	11	178.7	-53.2	-59.9	-171.8	-178.2	0	116.3	E95 M96 P97	E95-K99 WeakPolarHBondContact OE1-CD 3.18Å; E95-K99 WeakPolarHBondContact OE1-CE 3.49Å; E95-K99 IonicContact OE1-NZ 2.82Å; E95-K99 PolarHBondContact OE1-NZ 2.95Å; E95-K99 IonicContact OE2-NZ 3.73Å; M96-K99 WeakPolarHBondContact O-CA 3.49Å; M96-K99 PolarHBondContact O-N 3.43Å; P97-K99 PolarHBondContact O-N 2.77Å
100	H	95.6	Very high	94.9	Very high	59 Å²	59	52.1 Å²	52.1	27%	0.273	28%	0.283	S	S	.	.			trans	-82.8	137.1	172.9	-65.9	117.8	0	0	0	111.9	E95 M96 C98 F102 L119	E95-H100 WeakPolarHBondContact CA-O 3.2Å; M96-H100 PolarHBondContact N-O 3.03Å; C98-H100 VanDerWaalsContact C-N 3.28Å; C98-H100 PolarHBondContact O-N 3Å; C98-H100 PolarHBondContact SG-ND1 3.47Å; H100-F102 HydrophobicContact CB-CE2 3.55Å; H100-F102 HydrophobicContact CB-CZ 3.87Å; H100-L119 HydrophobicContact CB-CD1 4.02Å; H100-L119 WeakPolarHBondContact CD2-CD1 3.12Å
101	L	95.3	Very high	95.3	Very high	32 Å²	32	45.6 Å²	45.6	17%	0.168	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.8	-175.4	-59.4	174.5	0	0	0	111.9	I69 F87 V93 E95	I69-L101 HydrophobicContact CD1-CD1 4.44Å; F87-L101 HydrophobicContact CE2-CB 4.25Å; F87-L101 HydrophobicContact CZ-CB 4.21Å; V93-L101 HydrophobicContact CG2-CD2 4.07Å; E95-L101 HydrophobicContact CB-CD2 3.59Å; E95-L101 HydrophobicContact CG-CD2 3.86Å
102	F	96.8	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152	179.2	-56.4	-86.4	0	0	0	111.3	P81 V82 V93 R94 M96 H100 I107 P118 L119	P81-F102 HydrophobicContact CB-CE1 4.17Å; P81-F102 HydrophobicContact CG-CD1 4.34Å; P81-F102 HydrophobicContact CG-CE1 3.81Å; P81-F102 HydrophobicContact CG-CZ 4.49Å; V82-F102 HydrophobicContact CG2-CD1 3.75Å; V82-F102 HydrophobicContact CG2-CE1 3.98Å; V93-F102 WeakPolarHBondContact CB-O 3.42Å; R94-F102 PolarHBondContact N-O 3.37Å; R94-F102 PolarHBondContact O-N 3.48Å; M96-F102 HydrophobicContact CG-CD2 3.95Å; M96-F102 HydrophobicContact CG-CE2 3.7Å; H100-F102 HydrophobicContact CB-CE2 3.55Å; H100-F102 HydrophobicContact CB-CZ 3.87Å; F102-I107 HydrophobicContact CB-CB 3.7Å; F102-I107 HydrophobicContact CB-CD1 4.48Å; F102-I107 HydrophobicContact CB-CG1 4.28Å; F102-I107 HydrophobicContact CB-CG2 4.26Å; F102-I107 HydrophobicContact CD1-CD1 4.47Å; F102-I107 HydrophobicContact CD2-CD1 3.89Å; F102-I107 HydrophobicContact CD2-CG1 4.18Å; F102-I107 HydrophobicContact CE2-CD1 4.23Å; F102-I107 HydrophobicContact CG-CB 4.19Å; F102-I107 HydrophobicContact CG-CD1 4.02Å; F102-I107 HydrophobicContact CG-CG1 4.3Å; F102-P118 HydrophobicContact CE1-CB 4.23Å; F102-P118 HydrophobicContact CE1-CG 3.94Å; F102-P118 HydrophobicContact CZ-CB 4.43Å; F102-P118 HydrophobicContact CZ-CG 4.1Å; F102-L119 HydrophobicContact CZ-CD1 4.25Å; F102-L119 HydrophobicContact CZ-CG 4.27Å
103	H	95.9	Very high	95.3	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.102	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	143.2	166.8	-59.8	114.5	0	0	0	110.5	C80 C83 F87 E91 G105 C106 I107	C80-H103 WeakPolarHBondContact CB-CE1 3.45Å; C80-H103 WeakPolarHBondContact CB-ND1 3.3Å; C83-H103 PolarHBondContact SG-CE1 3.23Å; C83-H103 PolarHBondContact SG-ND1 2.89Å; F87-H103 AromaticContact CD1-CD2 3.63Å; F87-H103 AromaticContact CD1-CE1 3.87Å; F87-H103 AromaticContact CD1-NE2 3.16Å; F87-H103 WeakPolarHBondContact CD1-NE2 3.25Å; F87-H103 AromaticContact CE1-CD2 3.54Å; F87-H103 AromaticContact CE1-CE1 3.72Å; F87-H103 AromaticContact CE1-CG 3.98Å; F87-H103 AromaticContact CE1-NE2 3.34Å; F87-H103 VanDerWaalsContact CE1-NE2 3.34Å; F87-H103 WeakPolarHBondContact CE1-NE2 3.32Å; E91-H103 IonicContact OE1-CD2 2.7Å; E91-H103 PolarHBondContact OE1-CD2 3.33Å; E91-H103 IonicContact OE1-NE2 3.95Å; E91-H103 PolarHBondContact OE1-NE2 3.05Å; E91-H103 IonicContact OE2-CD2 3.58Å; E91-H103 IonicContact OE2-NE2 2.79Å; H103-G105 PolarHBondContact O-N 2.98Å; H103-C106 HydrophobicContact CB-CB 4.09Å; H103-C106 PolarHBondContact O-N 2.92Å; H103-I107 PolarHBondContact O-N 3.18Å
104	S	93.9	Very high	95.2	Very high	33 Å²	33	50.2 Å²	50.2	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-53.9	-41.6	173.2	-66.2	0	0	0	0	111.5	R94 C106 L108	R94-S104 WeakPolarHBondContact CG-OG 3.24Å; S104-C106 VanDerWaalsContact C-N 3.26Å; S104-C106 PolarHBondContact O-N 2.97Å; S104-L108 WeakPolarHBondContact O-CB 3.38Å; S104-L108 WeakPolarHBondContact O-CD1 3.29Å; S104-L108 WeakPolarHBondContact O-CG 3.43Å; S104-L108 PolarHBondContact O-N 3.07Å
105	G	94.3	Very high	95.2	Very high	64 Å²	64	47.8 Å²	47.8	66%	0.66	27%	0.273	S	S	*	.	H	α-helix	trans	-67.4	-20.8	177	0	0	0	0	0	114.7	H103 P109	H103-G105 PolarHBondContact O-N 2.98Å; G105-P109 VanDerWaalsContact O-CD 3.23Å; G105-P109 WeakPolarHBondContact O-CD 3.5Å; G105-P109 VanDerWaalsContact O-CG 3.3Å; G105-P109 WeakPolarHBondContact O-CG 3.38Å
106	C	96.1	Very high	95.1	Very high	26 Å²	26	47.4 Å²	47.4	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-92.3	-44.2	179.9	-66.2	0	0	0	0	112.4	V82 H103 S104	V82-C106 HydrophobicContact CB-CB 3.88Å; V82-C106 HydrophobicContact CG1-CB 3.87Å; V82-C106 HydrophobicContact CG2-CB 4.42Å; H103-C106 HydrophobicContact CB-CB 4.09Å; H103-C106 PolarHBondContact O-N 2.92Å; S104-C106 VanDerWaalsContact C-N 3.26Å; S104-C106 PolarHBondContact O-N 2.97Å
107	I	96	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-80.4	-33.7	-172.8	-165.8	58.5	0	0	0	113.1	R94 M96 F102 H103 W110 L111 P118	R94-I107 HydrophobicContact CB-CG2 3.74Å; R94-I107 HydrophobicContact CG-CG2 3.99Å; M96-I107 HydrophobicContact SD-CD1 4.26Å; M96-I107 HydrophobicContact SD-CG1 4.18Å; F102-I107 HydrophobicContact CB-CB 3.7Å; F102-I107 HydrophobicContact CB-CD1 4.48Å; F102-I107 HydrophobicContact CB-CG1 4.28Å; F102-I107 HydrophobicContact CB-CG2 4.26Å; F102-I107 HydrophobicContact CD1-CD1 4.47Å; F102-I107 HydrophobicContact CD2-CD1 3.89Å; F102-I107 HydrophobicContact CD2-CG1 4.18Å; F102-I107 HydrophobicContact CE2-CD1 4.23Å; F102-I107 HydrophobicContact CG-CB 4.19Å; F102-I107 HydrophobicContact CG-CD1 4.02Å; F102-I107 HydrophobicContact CG-CG1 4.3Å; H103-I107 PolarHBondContact O-N 3.18Å; I107-W110 WeakPolarHBondContact O-CB 3.49Å; I107-W110 PolarHBondContact O-N 3.03Å; I107-L111 HydrophobicContact CD1-CD1 4.31Å; I107-L111 HydrophobicContact CD1-CG 4.13Å; I107-L111 HydrophobicContact CG1-CD1 3.78Å; I107-L111 HydrophobicContact CG1-CG 4.04Å; I107-L111 WeakPolarHBondContact O-CG 3.46Å; I107-L111 PolarHBondContact O-N 2.97Å; I107-P118 HydrophobicContact CD1-CG 4.24Å
108	L	94.6	Very high	95.1	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.366	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-45.4	-176.7	-63.4	174.4	0	0	0	112.6	V61 S104 W110 L111 G112	V61-L108 HydrophobicContact CG1-CD2 3.29Å; S104-L108 WeakPolarHBondContact O-CB 3.38Å; S104-L108 WeakPolarHBondContact O-CD1 3.29Å; S104-L108 WeakPolarHBondContact O-CG 3.43Å; S104-L108 PolarHBondContact O-N 3.07Å; L108-W110 VanDerWaalsContact C-N 3.27Å; L108-W110 PolarHBondContact O-N 3.28Å; L108-L111 PolarHBondContact O-N 3.35Å; L108-G112 PolarHBondContact O-N 2.87Å
109	P	95.3	Very high	95	Very high	75 Å²	75	48.3 Å²	48.3	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-33	174.6	-22.3	34.8	0	0	0	113.1	G105	G105-P109 VanDerWaalsContact O-CD 3.23Å; G105-P109 WeakPolarHBondContact O-CD 3.5Å; G105-P109 VanDerWaalsContact O-CG 3.3Å; G105-P109 WeakPolarHBondContact O-CG 3.38Å
110	W	95.3	Very high	95	Very high	104 Å²	104	44.4 Å²	44.4	39%	0.394	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-48.4	176	-176.5	-87	0	0	0	111.3	I107 L108 G112 K113 T114 S116 P118	I107-W110 WeakPolarHBondContact O-CB 3.49Å; I107-W110 PolarHBondContact O-N 3.03Å; L108-W110 VanDerWaalsContact C-N 3.27Å; L108-W110 PolarHBondContact O-N 3.28Å; W110-G112 PolarHBondContact O-N 3.06Å; W110-K113 PolarHBondContact O-N 3.49Å; W110-T114 PolarHBondContact NE1-OG1 2.97Å; W110-T114 VanDerWaalsContact NE1-OG1 3.16Å; W110-T114 PolarHBondContact O-N 2.63Å; W110-S116 PolarHBondContact NE1-O 3.13Å; W110-P118 HydrophobicContact CD2-CG 3.99Å; W110-P118 HydrophobicContact CG-CG 4.04Å; W110-P118 HydrophobicContact CZ2-CB 4.34Å; W110-P118 HydrophobicContact CZ2-CG 4.34Å
111	L	96	Very high	94.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-22.3	179.1	-68.3	178.7	0	0	0	113.6	A56 V61 L64 M96 I107 L108 K113 T114 L124	A56-L111 HydrophobicContact CB-CB 4.23Å; A56-L111 HydrophobicContact CB-CD2 4.32Å; A56-L111 PolarHBondContact N-O 3.37Å; V61-L111 HydrophobicContact CG1-CD1 4.29Å; V61-L111 HydrophobicContact CG2-CB 3.91Å; V61-L111 HydrophobicContact CG2-CD1 4.04Å; L64-L111 HydrophobicContact CD1-CD1 3.57Å; M96-L111 HydrophobicContact CE-CD2 4.23Å; M96-L111 HydrophobicContact SD-CD1 4.05Å; I107-L111 HydrophobicContact CD1-CD1 4.31Å; I107-L111 HydrophobicContact CD1-CG 4.13Å; I107-L111 HydrophobicContact CG1-CD1 3.78Å; I107-L111 HydrophobicContact CG1-CG 4.04Å; I107-L111 WeakPolarHBondContact O-CG 3.46Å; I107-L111 PolarHBondContact O-N 2.97Å; L108-L111 PolarHBondContact O-N 3.35Å; L111-K113 PolarHBondContact O-N 3.43Å; L111-T114 CarbonylContact C-O 3.57Å; L111-T114 WeakPolarHBondContact CA-O 3.45Å; L111-L124 HydrophobicContact CD1-CD1 3.96Å; L111-L124 HydrophobicContact CD2-CD1 3.97Å
112	G	93.8	Very high	94.9	Very high	53 Å²	53	53.5 Å²	53.5	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.1	169.6	0	0	0	0	0	114.5	L108 W110	L108-G112 PolarHBondContact O-N 2.87Å; W110-G112 PolarHBondContact O-N 3.06Å
113	K	92	Very high	94.8	Very high	162 Å²	162	56.8 Å²	56.8	70%	0.704	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-36.8	177	-67	179.1	-177.5	-179.6	0	112.9	W110 L111	W110-K113 PolarHBondContact O-N 3.49Å; L111-K113 PolarHBondContact O-N 3.43Å
114	T	93.7	Very high	94.7	Very high	19 Å²	19	56.1 Å²	56.1	12%	0.117	31%	0.31	C	S	.	.			trans	-140.7	154.6	-178.4	70.7	0	0	0	0	109.7	P54 W110 L111	P54-T114 CarbonylContact O-C 3.58Å; W110-T114 PolarHBondContact NE1-OG1 2.97Å; W110-T114 VanDerWaalsContact NE1-OG1 3.16Å; W110-T114 PolarHBondContact O-N 2.63Å; L111-T114 CarbonylContact C-O 3.57Å; L111-T114 WeakPolarHBondContact CA-O 3.45Å
115	N	95.3	Very high	94.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-90.5	9.5	178.8	70.3	-24.8	0	0	0	114.6	P53 P54 A56 E123 L124 T126	P53-N115 VanDerWaalsContact CB-OD1 3.29Å; P53-N115 WeakPolarHBondContact CB-OD1 3.43Å; P54-N115 WeakPolarHBondContact O-CB 3.37Å; P54-N115 PolarHBondContact O-N 3.01Å; A56-N115 HydrophobicContact CB-CB 4.11Å; N115-E123 CarbonylContact O-C 3.53Å; N115-E123 WeakPolarHBondContact O-CA 3.44Å; N115-L124 PolarHBondContact ND2-O 2.86Å; N115-L124 PolarHBondContact O-N 3.34Å; N115-T126 HydrophobicContact CB-CG2 3.52Å; N115-T126 WeakPolarHBondContact ND2-CG2 3.39Å
116	S	95	Very high	94.8	Very high	20 Å²	20	55.7 Å²	55.7	14%	0.14	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-110.5	149.6	-167.9	69.1	0	0	0	0	113.7	W110 L122	W110-S116 PolarHBondContact NE1-O 3.13Å; S116-L122 CarbonylContact C-O 3.54Å; S116-L122 WeakPolarHBondContact CA-O 3.45Å
117	C	95.9	Very high	94.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.314	C	S	.	.			trans	-65.3	130	171.8	179.5	0	0	0	0	110.9	M96 L119 R121 L122	M96-C117 HydrophobicContact CE-CB 4.06Å; C117-L119 PolarHBondContact O-N 2.91Å; C117-L119 VanDerWaalsContact O-N 3.11Å; C117-R121 VanDerWaalsContact O-CA 3.27Å; C117-R121 WeakPolarHBondContact O-CA 3.37Å; C117-R121 PolarHBondContact O-N 3.16Å; C117-L122 HydrophobicContact CB-CB 4.4Å; C117-L122 PolarHBondContact N-O 2.64Å
118	P	95.1	Very high	94.6	Very high	41 Å²	41	61.8 Å²	61.8	27%	0.266	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.8	178.1	-24.7	31	0	0	0	115.1	V82 F102 I107 W110	V82-P118 HydrophobicContact CG2-CB 4.48Å; V82-P118 HydrophobicContact CG2-CG 4.19Å; F102-P118 HydrophobicContact CE1-CB 4.23Å; F102-P118 HydrophobicContact CE1-CG 3.94Å; F102-P118 HydrophobicContact CZ-CB 4.43Å; F102-P118 HydrophobicContact CZ-CG 4.1Å; I107-P118 HydrophobicContact CD1-CG 4.24Å; W110-P118 HydrophobicContact CD2-CG 3.99Å; W110-P118 HydrophobicContact CG-CG 4.04Å; W110-P118 HydrophobicContact CZ2-CB 4.34Å; W110-P118 HydrophobicContact CZ2-CG 4.34Å
119	L	94.6	Very high	94.4	Very high	91 Å²	91	63.1 Å²	63.1	48%	0.476	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-54.9	-175.8	-75.2	178.3	0	0	0	113.2	P81 H100 F102 C117	P81-L119 HydrophobicContact CB-CD1 4.22Å; P81-L119 HydrophobicContact CB-CD2 3.84Å; P81-L119 HydrophobicContact CB-CG 4.09Å; P81-L119 HydrophobicContact CG-CD1 3.54Å; P81-L119 HydrophobicContact CG-CD2 4.08Å; P81-L119 HydrophobicContact CG-CG 3.96Å; H100-L119 HydrophobicContact CB-CD1 4.02Å; H100-L119 WeakPolarHBondContact CD2-CD1 3.12Å; F102-L119 HydrophobicContact CZ-CD1 4.25Å; F102-L119 HydrophobicContact CZ-CG 4.27Å; C117-L119 PolarHBondContact O-N 2.91Å; C117-L119 VanDerWaalsContact O-N 3.11Å
120	C	95.4	Very high	94.3	Very high	60 Å²	60	65.5 Å²	65.5	41%	0.405	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	1.4	-172.1	65.8	0	0	0	0	114.3	C98 L122	C98-C120 VanDerWaalsContact CB-SG 3.53Å; C98-C120 PolarHBondContact SG-SG 3.38Å; C120-L122 PolarHBondContact O-N 3.39Å
121	R	93.6	Very high	94.1	Very high	204 Å²	204	61.2 Å²	61.2	77%	0.77	33%	0.327	S	S	*	.			trans	59.2	15.5	-178.2	-52.5	177.5	-176.6	-104.6	0.6	114.8	C117 E123	C117-R121 VanDerWaalsContact O-CA 3.27Å; C117-R121 WeakPolarHBondContact O-CA 3.37Å; C117-R121 PolarHBondContact O-N 3.16Å; R121-E123 PolarHBondContact O-N 3.16Å; R121-E123 VanDerWaalsContact O-N 3.15Å
122	L	94.6	Very high	94	Very high	77 Å²	77	63 Å²	63	40%	0.403	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-57.6	122.5	170.2	179.8	69.7	0	0	0	109	P97 C98 S116 C117 C120	P97-L122 HydrophobicContact CB-CD2 4.12Å; C98-L122 HydrophobicContact CB-CB 4.19Å; C98-L122 HydrophobicContact CB-CD2 3.61Å; S116-L122 CarbonylContact C-O 3.54Å; S116-L122 WeakPolarHBondContact CA-O 3.45Å; C117-L122 HydrophobicContact CB-CB 4.4Å; C117-L122 PolarHBondContact N-O 2.64Å; C120-L122 PolarHBondContact O-N 3.39Å
123	E	94.4	Very high	93.9	Very high	69 Å²	69	66.7 Å²	66.7	32%	0.322	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-88.8	132.8	-178.7	-71.1	175.4	-170.9	0	0	111.9	N115 R121 Y131 K135	N115-E123 CarbonylContact O-C 3.53Å; N115-E123 WeakPolarHBondContact O-CA 3.44Å; R121-E123 PolarHBondContact O-N 3.16Å; R121-E123 VanDerWaalsContact O-N 3.15Å; E123-Y131 PolarHBondContact OE1-OH 2.87Å; E123-Y131 PolarHBondContact OE2-OH 2.94Å; E123-K135 VanDerWaalsContact CB-NZ 3.31Å; E123-K135 WeakPolarHBondContact OE2-CD 3.26Å; E123-K135 VanDerWaalsContact OE2-CE 3.22Å; E123-K135 WeakPolarHBondContact OE2-CE 3.48Å; E123-K135 IonicContact OE2-NZ 3.38Å; E123-K135 PolarHBondContact OE2-NZ 3.07Å
124	L	95	Very high	93.9	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.042	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-82.4	158.2	167.1	-61.2	-176.3	0	0	0	110.9	A56 L64 M96 P97 L111 N115	A56-L124 HydrophobicContact CB-CB 4.2Å; A56-L124 HydrophobicContact CB-CD1 4.2Å; L64-L124 HydrophobicContact CD2-CD1 4.29Å; M96-L124 HydrophobicContact CE-CD1 3.79Å; M96-L124 HydrophobicContact CE-CD2 4.08Å; M96-L124 HydrophobicContact CE-CG 3.87Å; M96-L124 HydrophobicContact SD-CD1 4.32Å; P97-L124 HydrophobicContact CG-CD2 3.67Å; L111-L124 HydrophobicContact CD1-CD1 3.96Å; L111-L124 HydrophobicContact CD2-CD1 3.97Å; N115-L124 PolarHBondContact ND2-O 2.86Å; N115-L124 PolarHBondContact O-N 3.34Å
125	P	94.8	Very high	93.8	Very high	76 Å²	76	63 Å²	63	49%	0.494	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-57.8	150.2	169.3	-21.6	33.2	0	0	0	111.9	A57	A57-P125 WeakPolarHBondContact CB-O 3.3Å; A57-P125 PolarHBondContact N-O 3.42Å
126	T	95.2	Very high	93.7	Very high	13 Å²	13	69.3 Å²	69.3	8%	0.08	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-121.9	158.4	-178.8	71.2	0	0	0	0	111	P54 P55 N115 N128 Y131 E132	P54-T126 HydrophobicContact CG-CG2 4.06Å; P55-T126 WeakPolarHBondContact O-CG2 3.45Å; N115-T126 HydrophobicContact CB-CG2 3.52Å; N115-T126 WeakPolarHBondContact ND2-CG2 3.39Å; T126-N128 PolarHBondContact O-N 2.99Å; T126-Y131 HydrophobicContact CG2-CD1 4.04Å; T126-Y131 HydrophobicContact CG2-CE1 4.12Å; T126-E132 WeakPolarHBondContact CB-OE1 3.13Å; T126-E132 PolarHBondContact N-OE1 3.39Å; T126-E132 PolarHBondContact OG1-OE1 3.46Å
127	D	93.9	Very high	93.6	Very high	108 Å²	108	70.3 Å²	70.3	58%	0.578	35%	0.352	S	S	*	.	S	Bend	trans	-82.4	3.1	175.7	-66.4	-41	0	0	0	112.2	A57 K58 P129	A57-D127 WeakPolarHBondContact CA-OD2 3.35Å; A57-D127 WeakPolarHBondContact CB-OD1 3.4Å; K58-D127 PolarHBondContact N-OD2 3.04Å; D127-P129 WeakPolarHBondContact O-CD 3.46Å
128	N	92.4	Very high	93.4	Very high	46 Å²	46	74.1 Å²	74.1	25%	0.246	37%	0.369	C	S	.	.			trans	-96.4	106.7	-179.7	-175.3	-22.7	0	0	0	110.6	P54 T126 E130 Y131 E132	P54-N128 HydrophobicContact CB-CB 4.36Å; P54-N128 HydrophobicContact CG-CB 4.19Å; T126-N128 PolarHBondContact O-N 2.99Å; N128-E130 VanDerWaalsContact C-N 3.34Å; N128-E130 PolarHBondContact O-N 3.46Å; N128-E130 WeakPolarHBondContact OD1-CB 3.38Å; N128-E130 PolarHBondContact OD1-N 3.38Å; N128-Y131 PolarHBondContact O-N 3.16Å; N128-Y131 PolarHBondContact OD1-N 3.5Å; N128-E132 PolarHBondContact O-N 3.34Å; N128-E132 VanDerWaalsContact O-N 3.16Å
129	P	92.3	Very high	93.3	Very high	97 Å²	97	77.5 Å²	77.5	63%	0.63	38%	0.381	S	S	*	.	H	α-helix	trans	-65.7	-33.9	-176.6	27.1	-34.6	0	0	0	113.3	D127 Y131 E132 E133	D127-P129 WeakPolarHBondContact O-CD 3.46Å; P129-Y131 VanDerWaalsContact C-N 3.34Å; P129-Y131 PolarHBondContact O-N 3.32Å; P129-E132 PolarHBondContact O-N 3.05Å; P129-E133 PolarHBondContact O-N 3.45Å
130	E	91.6	Very high	93.3	Very high	126 Å²	126	79.3 Å²	79.3	59%	0.589	38%	0.381	S	S	*	.	H	α-helix	trans	-64.5	-42	179.3	-61.5	176.5	-174.8	0	0	110.7	W48 N128 E133 F134	W48-E130 HydrophobicContact CZ2-CB 3.85Å; N128-E130 VanDerWaalsContact C-N 3.34Å; N128-E130 PolarHBondContact O-N 3.46Å; N128-E130 WeakPolarHBondContact OD1-CB 3.38Å; N128-E130 PolarHBondContact OD1-N 3.38Å; E130-E133 PolarHBondContact O-N 2.7Å; E130-F134 WeakPolarHBondContact O-CB 3.45Å; E130-F134 PolarHBondContact O-N 3.3Å
131	Y	91.4	Very high	93.3	Very high	13 Å²	13	84.5 Å²	84.5	5%	0.051	39%	0.392	C	S	.	.	H	α-helix	trans	-68.2	-40.4	177.6	179.9	-99.8	0	0	0	112.3	W48 P53 P54 E123 T126 N128 P129 E133 F134 K135	W48-Y131 HydrophobicContact CD2-CD2 4.45Å; W48-Y131 AromaticContact CE3-CD2 3.88Å; W48-Y131 HydrophobicContact CE3-CD2 3.88Å; W48-Y131 HydrophobicContact CZ3-CD2 4.21Å; P53-Y131 HydrophobicContact CB-CE2 4.16Å; P53-Y131 VanDerWaalsContact CB-OH 3.3Å; P53-Y131 WeakPolarHBondContact CB-OH 3.28Å; P54-Y131 VanDerWaalsContact CD-CE2 3.5Å; P54-Y131 VanDerWaalsContact CD-CG 3.41Å; P54-Y131 HydrophobicContact CG-CD1 3.43Å; P54-Y131 VanDerWaalsContact CG-CD1 3.43Å; P54-Y131 HydrophobicContact CG-CD2 3.88Å; P54-Y131 HydrophobicContact CG-CE1 3.99Å; P54-Y131 HydrophobicContact CG-CE2 4.39Å; P54-Y131 HydrophobicContact CG-CG 3.36Å; E123-Y131 PolarHBondContact OE1-OH 2.87Å; E123-Y131 PolarHBondContact OE2-OH 2.94Å; T126-Y131 HydrophobicContact CG2-CD1 4.04Å; T126-Y131 HydrophobicContact CG2-CE1 4.12Å; N128-Y131 PolarHBondContact O-N 3.16Å; N128-Y131 PolarHBondContact OD1-N 3.5Å; P129-Y131 VanDerWaalsContact C-N 3.34Å; P129-Y131 PolarHBondContact O-N 3.32Å; Y131-E133 VanDerWaalsContact C-N 3.32Å; Y131-E133 PolarHBondContact O-N 2.82Å; Y131-F134 HydrophobicContact CD2-CD1 4.42Å; Y131-F134 HydrophobicContact CE2-CD1 4.44Å; Y131-F134 PolarHBondContact O-N 3.43Å; Y131-K135 WeakPolarHBondContact O-CB 3.09Å; Y131-K135 PolarHBondContact O-N 3.21Å
132	E	93.4	Very high	93.3	Very high	39 Å²	39	80 Å²	80	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-65	-35.6	175.9	-68.5	-59.5	151.1	0	0	112.4	T126 N128 P129 K136	T126-E132 WeakPolarHBondContact CB-OE1 3.13Å; T126-E132 PolarHBondContact N-OE1 3.39Å; T126-E132 PolarHBondContact OG1-OE1 3.46Å; N128-E132 PolarHBondContact O-N 3.34Å; N128-E132 VanDerWaalsContact O-N 3.16Å; P129-E132 PolarHBondContact O-N 3.05Å; E132-K136 VanDerWaalsContact O-CG 3.32Å; E132-K136 WeakPolarHBondContact O-CG 3.48Å; E132-K136 PolarHBondContact O-N 3.36Å; E132-K136 VanDerWaalsContact O-N 3.16Å
133	E	93.2	Very high	93.4	Very high	132 Å²	132	82.9 Å²	82.9	62%	0.617	39%	0.39	S	S	*	.	H	α-helix	trans	-67.5	-46.9	172.9	-177.2	168.9	-163.8	0	0	111.6	P129 E130 Y131 K135 K136 D137	P129-E133 PolarHBondContact O-N 3.45Å; E130-E133 PolarHBondContact O-N 2.7Å; Y131-E133 VanDerWaalsContact C-N 3.32Å; Y131-E133 PolarHBondContact O-N 2.82Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 2.69Å; E133-K136 PolarHBondContact O-N 3.03Å; E133-K136 VanDerWaalsContact O-N 3.16Å; E133-D137 PolarHBondContact O-N 3.08Å
134	F	91.2	Very high	93.4	Very high	40 Å²	40	88 Å²	88	18%	0.175	41%	0.406	C	S	.	.	H	α-helix	trans	-54.7	-47.4	174.6	167.7	-102	0	0	0	111.6	W48 D49 E130 Y131 K136 D137 K138	W48-F134 HydrophobicContact CB-CD1 3.47Å; W48-F134 VanDerWaalsContact CB-CD1 3.47Å; W48-F134 HydrophobicContact CB-CD2 3.72Å; W48-F134 HydrophobicContact CB-CE1 3.38Å; W48-F134 HydrophobicContact CB-CE2 3.64Å; W48-F134 HydrophobicContact CB-CG 3.64Å; W48-F134 HydrophobicContact CB-CZ 3.47Å; W48-F134 VanDerWaalsContact CB-CZ 3.47Å; W48-F134 AromaticContact CD1-CD2 3.61Å; W48-F134 AromaticContact CD1-CG 3.63Å; W48-F134 HydrophobicContact CG-CB 4.14Å; W48-F134 AromaticContact CG-CD1 3.9Å; W48-F134 HydrophobicContact CG-CD1 3.9Å; W48-F134 AromaticContact CG-CD2 3.92Å; W48-F134 HydrophobicContact CG-CD2 3.92Å; W48-F134 HydrophobicContact CG-CE1 4.3Å; W48-F134 HydrophobicContact CG-CE2 4.32Å; W48-F134 AromaticContact CG-CG 3.69Å; W48-F134 HydrophobicContact CG-CG 3.69Å; W48-F134 HydrophobicContact CG-CZ 4.49Å; D49-F134 WeakPolarHBondContact OD1-CZ 3.38Å; E130-F134 WeakPolarHBondContact O-CB 3.45Å; E130-F134 PolarHBondContact O-N 3.3Å; Y131-F134 HydrophobicContact CD2-CD1 4.42Å; Y131-F134 HydrophobicContact CE2-CD1 4.44Å; Y131-F134 PolarHBondContact O-N 3.43Å; F134-K136 VanDerWaalsContact C-N 3.33Å; F134-K136 PolarHBondContact O-N 2.75Å; F134-D137 PolarHBondContact O-N 2.62Å; F134-D137 VanDerWaalsContact O-N 3.13Å; F134-K138 HydrophobicContact CE1-CD 4.13Å; F134-K138 HydrophobicContact CZ-CD 3.99Å; F134-K138 WeakPolarHBondContact O-CB 3.42Å; F134-K138 PolarHBondContact O-N 2.99Å
135	K	91.2	Very high	93.5	Very high	64 Å²	64	93.1 Å²	93.1	28%	0.278	43%	0.43	S	S	.	.	H	α-helix	trans	-57.2	-44.9	177.4	178	177	174.9	159.1	0	112.1	E123 Y131 E133 K138 E139	E123-K135 VanDerWaalsContact CB-NZ 3.31Å; E123-K135 WeakPolarHBondContact OE2-CD 3.26Å; E123-K135 VanDerWaalsContact OE2-CE 3.22Å; E123-K135 WeakPolarHBondContact OE2-CE 3.48Å; E123-K135 IonicContact OE2-NZ 3.38Å; E123-K135 PolarHBondContact OE2-NZ 3.07Å; Y131-K135 WeakPolarHBondContact O-CB 3.09Å; Y131-K135 PolarHBondContact O-N 3.21Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 2.69Å; K135-K138 PolarHBondContact O-N 3.22Å; K135-E139 PolarHBondContact O-N 3.1Å
136	K	93.2	Very high	93.6	Very high	132 Å²	132	94.7 Å²	94.7	57%	0.574	43%	0.43	S	S	*	.	H	α-helix	trans	-64.4	-40.5	176	-71.5	169.9	-174.3	172.6	0	111.8	E132 E133 F134 E139 R140	E132-K136 VanDerWaalsContact O-CG 3.32Å; E132-K136 WeakPolarHBondContact O-CG 3.48Å; E132-K136 PolarHBondContact O-N 3.36Å; E132-K136 VanDerWaalsContact O-N 3.16Å; E133-K136 PolarHBondContact O-N 3.03Å; E133-K136 VanDerWaalsContact O-N 3.16Å; F134-K136 VanDerWaalsContact C-N 3.33Å; F134-K136 PolarHBondContact O-N 2.75Å; K136-E139 PolarHBondContact O-N 3.37Å; K136-R140 WeakPolarHBondContact O-CG 3.41Å; K136-R140 PolarHBondContact O-N 2.85Å
137	D	93.5	Very high	93.6	Very high	41 Å²	41	102.4 Å²	102.4	22%	0.219	46%	0.458	C	S	.	.	H	α-helix	trans	-65.2	-44.5	177.5	-166.9	56.4	0	0	0	112.2	E133 F134 E139 R140 R141	E133-D137 PolarHBondContact O-N 3.08Å; F134-D137 PolarHBondContact O-N 2.62Å; F134-D137 VanDerWaalsContact O-N 3.13Å; D137-E139 VanDerWaalsContact C-N 3.3Å; D137-E139 PolarHBondContact O-N 3.21Å; D137-R140 VanDerWaalsContact CB-NH2 3.34Å; D137-R140 PolarHBondContact O-N 3.11Å; D137-R140 IonicContact OD1-CZ 3.47Å; D137-R140 IonicContact OD1-NE 3.08Å; D137-R140 IonicContact OD1-NH2 2.69Å; D137-R140 PolarHBondContact OD1-NH2 2.84Å; D137-R141 WeakPolarHBondContact O-CG 3.48Å; D137-R141 PolarHBondContact O-N 2.7Å; D137-R141 IonicContact OD2-CZ 3.57Å; D137-R141 IonicContact OD2-NE 2.77Å; D137-R141 PolarHBondContact OD2-NE 3.18Å; D137-R141 IonicContact OD2-NH2 3.04Å; D137-R141 PolarHBondContact OD2-NH2 3.01Å
138	K	90.9	Very high	93.6	Very high	80 Å²	80	101.5 Å²	101.5	35%	0.348	45%	0.453	S	S	.	.	H	α-helix	trans	-57.1	-43.6	174.8	-172.3	170.9	-175.2	169.4	0	111.7	D49 F134 K135 R141 K142	D49-K138 IonicContact OD1-NZ 3.26Å; D49-K138 PolarHBondContact OD1-NZ 2.68Å; F134-K138 HydrophobicContact CE1-CD 4.13Å; F134-K138 HydrophobicContact CZ-CD 3.99Å; F134-K138 WeakPolarHBondContact O-CB 3.42Å; F134-K138 PolarHBondContact O-N 2.99Å; K135-K138 PolarHBondContact O-N 3.22Å; K138-R141 PolarHBondContact O-N 3.28Å; K138-K142 WeakPolarHBondContact O-CG 3.37Å; K138-K142 PolarHBondContact O-N 3.4Å
139	E	93.2	Very high	93.8	Very high	111 Å²	111	104.9 Å²	104.9	52%	0.519	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-43.3	177	-169.3	57.6	-151	0	0	112.4	K135 K136 D137 R141 K142 Q143	K135-E139 PolarHBondContact O-N 3.1Å; K136-E139 PolarHBondContact O-N 3.37Å; D137-E139 VanDerWaalsContact C-N 3.3Å; D137-E139 PolarHBondContact O-N 3.21Å; E139-R141 VanDerWaalsContact C-N 3.3Å; E139-R141 PolarHBondContact O-N 3.09Å; E139-K142 PolarHBondContact O-N 3.27Å; E139-Q143 PolarHBondContact O-N 3.33Å
140	R	95.8	Very high	93.9	Very high	129 Å²	129	104.5 Å²	104.5	49%	0.487	46%	0.46	S	S	.	.	H	α-helix	trans	-59	-41.1	174.9	-72.5	-172.4	-55.8	-100.2	8.6	112.1	K136 D137 Q143 R144	K136-R140 WeakPolarHBondContact O-CG 3.41Å; K136-R140 PolarHBondContact O-N 2.85Å; D137-R140 VanDerWaalsContact CB-NH2 3.34Å; D137-R140 PolarHBondContact O-N 3.11Å; D137-R140 IonicContact OD1-CZ 3.47Å; D137-R140 IonicContact OD1-NE 3.08Å; D137-R140 IonicContact OD1-NH2 2.69Å; D137-R140 PolarHBondContact OD1-NH2 2.84Å; R140-Q143 PolarHBondContact O-N 2.86Å; R140-R144 PolarHBondContact O-N 2.82Å
141	R	93.9	Very high	94.1	Very high	169 Å²	169	103.2 Å²	103.2	64%	0.638	46%	0.457	S	S	*	.	H	α-helix	trans	-62.8	-48.2	177.2	-69.4	178.5	-166.8	-171.2	3.3	111.1	D137 K138 E139 Q143 R144 E145	D137-R141 WeakPolarHBondContact O-CG 3.48Å; D137-R141 PolarHBondContact O-N 2.7Å; D137-R141 IonicContact OD2-CZ 3.57Å; D137-R141 IonicContact OD2-NE 2.77Å; D137-R141 PolarHBondContact OD2-NE 3.18Å; D137-R141 IonicContact OD2-NH2 3.04Å; D137-R141 PolarHBondContact OD2-NH2 3.01Å; K138-R141 PolarHBondContact O-N 3.28Å; E139-R141 VanDerWaalsContact C-N 3.3Å; E139-R141 PolarHBondContact O-N 3.09Å; R141-Q143 VanDerWaalsContact C-N 3.34Å; R141-Q143 PolarHBondContact O-N 3.35Å; R141-R144 WeakPolarHBondContact O-CB 3.19Å; R141-R144 PolarHBondContact O-N 3.39Å; R141-E145 PolarHBondContact O-N 2.77Å
142	K	94	Very high	94.1	Very high	110 Å²	110	107.7 Å²	107.7	48%	0.478	48%	0.478	S	S	.	.	H	α-helix	trans	-58.3	-44.2	175.8	-71.9	177.8	179.1	-178.9	0	112.3	K138 E139 R144 E145 H146	K138-K142 WeakPolarHBondContact O-CG 3.37Å; K138-K142 PolarHBondContact O-N 3.4Å; E139-K142 PolarHBondContact O-N 3.27Å; K142-R144 VanDerWaalsContact C-N 3.32Å; K142-R144 PolarHBondContact O-N 2.94Å; K142-E145 PolarHBondContact O-N 3.34Å; K142-H146 PolarHBondContact O-N 3.45Å
143	Q	95.9	Very high	94	Very high	137 Å²	137	107.7 Å²	107.7	64%	0.64	49%	0.488	S	S	*	.	H	α-helix	trans	-63.9	-38.2	178.2	-169.4	178.1	28.7	0	0	112	E139 R140 R141 R147	E139-Q143 PolarHBondContact O-N 3.33Å; R140-Q143 PolarHBondContact O-N 2.86Å; R141-Q143 VanDerWaalsContact C-N 3.34Å; R141-Q143 PolarHBondContact O-N 3.35Å; Q143-R147 WeakPolarHBondContact O-CB 3.36Å; Q143-R147 PolarHBondContact O-N 3.46Å
144	R	96.2	Very high	93.9	Very high	177 Å²	177	104.6 Å²	104.6	67%	0.668	49%	0.485	S	S	*	.	H	α-helix	trans	-64.5	-41.9	174.3	179.2	176.6	177.3	-91.7	0.6	111.5	R140 R141 K142 R147 L148	R140-R144 PolarHBondContact O-N 2.82Å; R141-R144 WeakPolarHBondContact O-CB 3.19Å; R141-R144 PolarHBondContact O-N 3.39Å; K142-R144 VanDerWaalsContact C-N 3.32Å; K142-R144 PolarHBondContact O-N 2.94Å; R144-R147 PolarHBondContact O-N 3.48Å; R144-L148 HydrophobicContact CG-CD1 4.29Å; R144-L148 VanDerWaalsContact O-CG 3.29Å; R144-L148 WeakPolarHBondContact O-CG 3.49Å; R144-L148 PolarHBondContact O-N 3.17Å
145	E	96.1	Very high	93.8	Very high	116 Å²	116	109.5 Å²	109.5	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-53.1	177	-175.9	170.9	-154	0	0	111.5	R141 K142 R147 L148 E149	R141-E145 PolarHBondContact O-N 2.77Å; K142-E145 PolarHBondContact O-N 3.34Å; E145-R147 VanDerWaalsContact C-N 3.25Å; E145-R147 PolarHBondContact O-N 3.01Å; E145-L148 WeakPolarHBondContact O-CA 3.25Å; E145-L148 WeakPolarHBondContact O-CB 3.49Å; E145-L148 PolarHBondContact O-N 3.42Å; E145-E149 WeakPolarHBondContact O-CG 3.34Å; E145-E149 PolarHBondContact O-N 3.46Å
146	H	96.5	Very high	93.2	Very high	108 Å²	108	115.2 Å²	115.2	50%	0.5	53%	0.531	S	S	.	.	H	α-helix	trans	-53.1	-44.1	174.8	-177	-71.5	0	0	0	111.8	K142 L148 E149 D150	K142-H146 PolarHBondContact O-N 3.45Å; H146-L148 VanDerWaalsContact C-N 3.31Å; H146-L148 PolarHBondContact O-N 2.86Å; H146-E149 PolarHBondContact O-N 3.02Å; H146-D150 VanDerWaalsContact CE1-CG 3.5Å; H146-D150 IonicContact CE1-OD1 2.64Å; H146-D150 PolarHBondContact CE1-OD1 3.06Å; H146-D150 VanDerWaalsContact CE1-OD1 3.26Å; H146-D150 IonicContact CE1-OD2 2.7Å; H146-D150 PolarHBondContact CE1-OD2 3.19Å; H146-D150 IonicContact ND1-OD1 3.08Å; H146-D150 IonicContact ND1-OD2 2.82Å; H146-D150 PolarHBondContact ND1-OD2 3.27Å; H146-D150 PolarHBondContact O-N 2.91Å
147	R	95.5	Very high	91.9	Very high	175 Å²	175	117 Å²	117	66%	0.66	55%	0.554	S	S	*	*	H	α-helix	trans	-62	-37.7	176.5	-178.3	179.5	179.4	-176.6	1	112.6	Q143 R144 E145 L151	Q143-R147 WeakPolarHBondContact O-CB 3.36Å; Q143-R147 PolarHBondContact O-N 3.46Å; R144-R147 PolarHBondContact O-N 3.48Å; E145-R147 VanDerWaalsContact C-N 3.25Å; E145-R147 PolarHBondContact O-N 3.01Å; R147-L151 VanDerWaalsContact O-CG 3.26Å; R147-L151 WeakPolarHBondContact O-CG 3.47Å; R147-L151 PolarHBondContact O-N 2.86Å; R147-L151 VanDerWaalsContact O-N 3.17Å
148	L	95	Very high	91.8	Very high	89 Å²	89	120.8 Å²	120.8	47%	0.466	57%	0.57	S	S	.	*	H	α-helix	trans	-69.3	-39.7	176.4	-71.8	167.3	0	0	0	111	R144 E145 H146 L151 H152	R144-L148 HydrophobicContact CG-CD1 4.29Å; R144-L148 VanDerWaalsContact O-CG 3.29Å; R144-L148 WeakPolarHBondContact O-CG 3.49Å; R144-L148 PolarHBondContact O-N 3.17Å; E145-L148 WeakPolarHBondContact O-CA 3.25Å; E145-L148 WeakPolarHBondContact O-CB 3.49Å; E145-L148 PolarHBondContact O-N 3.42Å; H146-L148 VanDerWaalsContact C-N 3.31Å; H146-L148 PolarHBondContact O-N 2.86Å; L148-L151 PolarHBondContact O-N 3.27Å; L148-H152 WeakPolarHBondContact O-CB 3.41Å; L148-H152 PolarHBondContact O-N 2.94Å
149	E	94.9	Very high	91.9	Very high	117 Å²	117	122.9 Å²	122.9	55%	0.547	58%	0.582	S	S	.	*	H	α-helix	trans	-63.3	-43.4	174.8	-69.1	179.2	161	0	0	111.8	E145 H146 L151 H152 G153	E145-E149 WeakPolarHBondContact O-CG 3.34Å; E145-E149 PolarHBondContact O-N 3.46Å; H146-E149 PolarHBondContact O-N 3.02Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-L151 PolarHBondContact O-N 3.19Å; E149-H152 CarbonylContact O-C 3.45Å; E149-H152 WeakPolarHBondContact O-CB 3.29Å; E149-H152 PolarHBondContact O-N 3.31Å; E149-H152 VanDerWaalsContact O-N 3.15Å; E149-G153 PolarHBondContact O-N 2.82Å
150	D	95.6	Very high	91.8	Very high	89 Å²	89	123.6 Å²	123.6	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-58.7	-44.6	174.9	-68.1	-32.6	0	0	0	111.5	H146 H152 G153 A154	H146-D150 VanDerWaalsContact CE1-CG 3.5Å; H146-D150 IonicContact CE1-OD1 2.64Å; H146-D150 PolarHBondContact CE1-OD1 3.06Å; H146-D150 VanDerWaalsContact CE1-OD1 3.26Å; H146-D150 IonicContact CE1-OD2 2.7Å; H146-D150 PolarHBondContact CE1-OD2 3.19Å; H146-D150 IonicContact ND1-OD1 3.08Å; H146-D150 IonicContact ND1-OD2 2.82Å; H146-D150 PolarHBondContact ND1-OD2 3.27Å; H146-D150 PolarHBondContact O-N 2.91Å; D150-H152 VanDerWaalsContact C-N 3.34Å; D150-G153 PolarHBondContact O-N 2.8Å; D150-A154 WeakPolarHBondContact O-CB 3.23Å; D150-A154 PolarHBondContact O-N 3.34Å
151	L	95	Very high	91.6	Very high	100 Å²	100	123.3 Å²	123.3	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-65.1	-38.5	176.5	-72	171.5	0	0	0	111.7	R147 L148 E149 M155	R147-L151 VanDerWaalsContact O-CG 3.26Å; R147-L151 WeakPolarHBondContact O-CG 3.47Å; R147-L151 PolarHBondContact O-N 2.86Å; R147-L151 VanDerWaalsContact O-N 3.17Å; L148-L151 PolarHBondContact O-N 3.27Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-L151 PolarHBondContact O-N 3.19Å; L151-M155 PolarHBondContact O-N 2.85Å
152	H	91.9	Very high	91.4	Very high	107 Å²	107	120.4 Å²	120.4	50%	0.495	59%	0.588	S	S	.	*	H	α-helix	trans	-61.2	-54.4	173	-166	155.7	0	0	0	109	L148 E149 D150 A154 M155 Y156	L148-H152 WeakPolarHBondContact O-CB 3.41Å; L148-H152 PolarHBondContact O-N 2.94Å; E149-H152 CarbonylContact O-C 3.45Å; E149-H152 WeakPolarHBondContact O-CB 3.29Å; E149-H152 PolarHBondContact O-N 3.31Å; E149-H152 VanDerWaalsContact O-N 3.15Å; D150-H152 VanDerWaalsContact C-N 3.34Å; H152-A154 VanDerWaalsContact C-N 3.32Å; H152-A154 PolarHBondContact O-N 2.81Å; H152-M155 WeakPolarHBondContact O-CB 3.25Å; H152-M155 PolarHBondContact O-N 3.2Å; H152-Y156 AromaticContact CD2-CD2 3.42Å; H152-Y156 VanDerWaalsContact CD2-CD2 3.42Å; H152-Y156 WeakPolarHBondContact CD2-CD2 3.26Å; H152-Y156 AromaticContact CD2-CE2 3.12Å; H152-Y156 WeakPolarHBondContact CD2-CE2 3.45Å; H152-Y156 AromaticContact NE2-CD2 3.82Å; H152-Y156 AromaticContact NE2-CE2 3.2Å; H152-Y156 WeakPolarHBondContact NE2-CE2 3.21Å; H152-Y156 AromaticContact NE2-CZ 3.74Å; H152-Y156 VanDerWaalsContact O-CD2 3.25Å; H152-Y156 WeakPolarHBondContact O-CD2 3.26Å
153	G	91.6	Very high	91.2	Very high	39 Å²	39	121.1 Å²	121.1	40%	0.402	60%	0.596	S	S	.	*	H	α-helix	trans	-54.7	-44.6	-179.2	0	0	0	0	0	113.4	E149 D150 M155 Y156 T157	E149-G153 PolarHBondContact O-N 2.82Å; D150-G153 PolarHBondContact O-N 2.8Å; G153-M155 PolarHBondContact O-N 3.27Å; G153-Y156 PolarHBondContact O-N 2.92Å; G153-Y156 VanDerWaalsContact O-N 3.14Å; G153-T157 PolarHBondContact O-N 3.28Å
154	A	91.3	Very high	90.9	Very high	66 Å²	66	120 Å²	120	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-65.7	-19.9	179	0	0	0	0	0	114.5	D150 H152 T157	D150-A154 WeakPolarHBondContact O-CB 3.23Å; D150-A154 PolarHBondContact O-N 3.34Å; H152-A154 VanDerWaalsContact C-N 3.32Å; H152-A154 PolarHBondContact O-N 2.81Å; A154-T157 PolarHBondContact O-OG1 3.27Å
155	M	89	Confident	90.5	Very high	144 Å²	144	115.6 Å²	115.6	71%	0.709	59%	0.587	S	S	*	*	H	α-helix	trans	-79.2	-18.9	175.1	-76.8	-169.9	-76.8	0	0	113.4	L151 H152 G153	L151-M155 PolarHBondContact O-N 2.85Å; H152-M155 WeakPolarHBondContact O-CB 3.25Å; H152-M155 PolarHBondContact O-N 3.2Å; G153-M155 PolarHBondContact O-N 3.27Å
156	Y	78.4	Confident	90	Very high	183 Å²	183	115.6 Å²	115.6	72%	0.718	59%	0.59	S	S	*	*			trans	-113	10.3	-175.3	-64.7	-97	0	0	0	113.5	H152 G153	H152-Y156 AromaticContact CD2-CD2 3.42Å; H152-Y156 VanDerWaalsContact CD2-CD2 3.42Å; H152-Y156 WeakPolarHBondContact CD2-CD2 3.26Å; H152-Y156 AromaticContact CD2-CE2 3.12Å; H152-Y156 WeakPolarHBondContact CD2-CE2 3.45Å; H152-Y156 AromaticContact NE2-CD2 3.82Å; H152-Y156 AromaticContact NE2-CE2 3.2Å; H152-Y156 WeakPolarHBondContact NE2-CE2 3.21Å; H152-Y156 AromaticContact NE2-CZ 3.74Å; H152-Y156 VanDerWaalsContact O-CD2 3.25Å; H152-Y156 WeakPolarHBondContact O-CD2 3.26Å; G153-Y156 PolarHBondContact O-N 2.92Å; G153-Y156 VanDerWaalsContact O-N 3.14Å
157	T	65.7	Low	89.4	Confident	170 Å²	170	116.3 Å²	116.3	100%	1.043	60%	0.599	S	S	*	*			trans	-107.9	0	170.3	56	0	0	0	0	111	G153 A154	G153-T157 PolarHBondContact O-N 3.28Å; A154-T157 PolarHBondContact O-OG1 3.27Å

Retrieved 157 of 157 residues in 239.4 ms (Link to these results)

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