A0A068BIT8_MOUSE Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A068BIT8, Species MOUSE (Mus musculus, Mouse), Gene Psmb8, Length 276 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.8	Low	45.8	Very low	208 Å²	208	126 Å²	126	100%	1.025	74%	0.743	S	S	*	*				0	-28.1	0	-73.8	-64.5	-155.8	0	0	113.8	L3	M1-L3 PolarHBondContact O-N 3.41Å
2	A	42.9	Very low	46.3	Very low	91 Å²	91	121.6 Å²	121.6	75%	0.752	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-12.5	-178.3	0	0	0	0	0	116.3
3	L	41.3	Very low	45.6	Very low	147 Å²	147	126.6 Å²	126.6	77%	0.77	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-21.1	-173.8	-140.1	116.6	0	0	0	113.7	M1	M1-L3 PolarHBondContact O-N 3.41Å
4	L	44.2	Very low	45.2	Very low	121 Å²	121	134.6 Å²	134.6	63%	0.634	76%	0.764	S	S	*	*	S	Bend	trans	-80.7	-30.6	-177	-93	142.9	0	0	0	112.9
5	D	44.3	Very low	44.5	Very low	110 Å²	110	131.4 Å²	131.4	59%	0.588	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-21.6	178.4	-70.7	-24	0	0	0	112.4	C7 R11	D5-C7 VanDerWaalsContact C-N 3.31Å; D5-C7 PolarHBondContact O-N 3.41Å; D5-R11 IonicContact OD1-NH2 3.81Å
6	L	45.7	Very low	43.7	Very low	159 Å²	159	136.2 Å²	136.2	83%	0.832	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-22.9	177.3	-148.9	91.5	0	0	0	112.8
7	C	50.3	Low	43.4	Very low	100 Å²	100	140.6 Å²	140.6	68%	0.676	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	6.9	-173.1	-64	0	0	0	0	114.1	D5 A9	D5-C7 VanDerWaalsContact C-N 3.31Å; D5-C7 PolarHBondContact O-N 3.41Å; C7-A9 VanDerWaalsContact C-N 3.29Å; C7-A9 PolarHBondContact O-N 3.09Å
8	G	46.1	Very low	43.1	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	19.4	172.2	0	0	0	0	0	115.9	A10	G8-A10 PolarHBondContact O-N 3.21Å
9	A	45.2	Very low	42.9	Very low	68 Å²	68	134.5 Å²	134.5	56%	0.562	76%	0.758	S	S	*	*			trans	-76.3	112.5	177.3	0	0	0	0	0	110.7	C7 R11	C7-A9 VanDerWaalsContact C-N 3.29Å; C7-A9 PolarHBondContact O-N 3.09Å; A9-R11 PolarHBondContact O-N 3.39Å
10	A	41.7	Very low	42.2	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	77%	0.768	S	S	*	*			trans	-63.3	127.8	177.6	0	0	0	0	0	111.2	G8 G12	G8-A10 PolarHBondContact O-N 3.21Å; A10-G12 PolarHBondContact O-N 2.96Å
11	R	48.8	Very low	41.8	Very low	215 Å²	215	138.1 Å²	138.1	81%	0.811	77%	0.773	S	S	*	*	S	Bend	trans	-70.4	110.9	173.4	-74.8	-174.8	-170.5	-173.7	6.3	109.6	D5 A9	D5-R11 IonicContact OD1-NH2 3.81Å; A9-R11 PolarHBondContact O-N 3.39Å
12	G	51.7	Low	40.9	Very low	73 Å²	73	132.6 Å²	132.6	75%	0.753	76%	0.76	S	S	*	*	S	Bend	trans	96.3	68	160	0	0	0	0	0	115.5	A10	A10-G12 PolarHBondContact O-N 2.96Å
13	Q	37.2	Very low	40.3	Very low	187 Å²	187	132 Å²	132	87%	0.874	76%	0.763	S	S	*	*			trans	-142.8	121.9	147.8	-73.8	-169.2	-20.7	0	0	108.5
14	R	40	Very low	39.8	Very low	238 Å²	238	130.5 Å²	130.5	90%	0.898	77%	0.765	S	S	*	*			trans	-73	123.3	166.6	-88	-175.3	173.7	-177	-1.9	107.4
15	P	33.9	Very low	39.6	Very low	87 Å²	87	129.4 Å²	129.4	57%	0.565	78%	0.782	S	S	*	*			trans	-73.7	143.1	176	-6.5	22.2	0	0	0	110.8	W17	P15-W17 PolarHBondContact O-N 2.86Å
16	E	32.2	Very low	38.9	Very low	208 Å²	208	127 Å²	127	97%	0.972	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	34	-170.6	-134.8	177	-168.6	0	0	115
17	W	39.5	Very low	38.5	Very low	211 Å²	211	131.4 Å²	131.4	80%	0.799	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	1	168.4	63.4	-94.5	0	0	0	112.4	P15 A19	P15-W17 PolarHBondContact O-N 2.86Å; W17-A19 PolarHBondContact O-N 3.04Å
18	A	37.4	Very low	38.1	Very low	80 Å²	80	132.2 Å²	132.2	66%	0.661	80%	0.796	S	S	*	*			trans	-78.2	26.2	-172.6	0	0	0	0	0	115.4
19	A	38.3	Very low	37.9	Very low	86 Å²	86	134.8 Å²	134.8	71%	0.711	79%	0.793	S	S	*	*			trans	-145.1	78.5	-179.7	0	0	0	0	0	112.6	W17	W17-A19 PolarHBondContact O-N 3.04Å
20	L	29.9	Very low	37.8	Very low	182 Å²	182	136.3 Å²	136.3	95%	0.953	80%	0.797	S	S	*	*			trans	-137.1	105.3	142.7	-75.5	177.1	0	0	0	107.1
21	D	34.1	Very low	37.8	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	77%	0.771	S	S	*	*			trans	-95.5	153.3	179.4	-159.9	8.3	0	0	0	111
22	A	34.1	Very low	37.5	Very low	91 Å²	91	131.2 Å²	131.2	75%	0.752	77%	0.772	S	S	*	*			trans	74.2	110.8	158	0	0	0	0	0	120.4
23	G	30.6	Very low	37.4	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	76%	0.758	S	S	*	*				125.7	80	126.9	0	0	0	0	0	117.3
24	S	30.9	Very low	37.6	Very low	116 Å²	116	128.8 Å²	128.8	81%	0.811	75%	0.747	S	S	*	*			trans	-162.6	123.6	132.9	51.6	0	0	0	0	109.8	G26	S24-G26 PolarHBondContact O-N 2.82Å
25	G	39.7	Very low	37.7	Very low	97 Å²	97	127.7 Å²	127.7	100%	1	75%	0.749	S	S	*	*			trans	-64.1	100.9	164.8	0	0	0	0	0	108.5
26	G	30	Very low	38.3	Very low	60 Å²	60	126.1 Å²	126.1	62%	0.619	74%	0.74	S	S	*	*			trans	-139.1	115	173.7	0	0	0	0	0	107.4	S24 S28	S24-G26 PolarHBondContact O-N 2.82Å; G26-S28 PolarHBondContact O-N 2.91Å
27	R	36.5	Very low	38.9	Very low	252 Å²	252	121.7 Å²	121.7	95%	0.951	74%	0.739	S	S	*	*			trans	-42.9	124.6	166.5	-77.9	171	162.8	176.3	-5.9	108.2	D29	R27-D29 PolarHBondContact O-N 2.61Å
28	S	42.2	Very low	39.5	Very low	117 Å²	117	120.6 Å²	120.6	82%	0.818	74%	0.743	S	S	*	*			trans	-56.3	109	169.9	41.6	0	0	0	0	108.1	G26 P30	G26-S28 PolarHBondContact O-N 2.91Å; S28-P30 WeakPolarHBondContact O-CD 3.17Å
29	D	42.3	Very low	40	Very low	124 Å²	124	119.7 Å²	119.7	66%	0.663	74%	0.735	S	S	*	*			trans	-64.5	121.6	174.3	-173.7	4.3	0	0	0	108	R27 G31	R27-D29 PolarHBondContact O-N 2.61Å; D29-G31 PolarHBondContact O-N 3.27Å
30	P	42.6	Very low	40.5	Very low	100 Å²	100	122.4 Å²	122.4	65%	0.649	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	21.6	-179.3	25.9	-27.8	0	0	0	113.3	S28	S28-P30 WeakPolarHBondContact O-CD 3.17Å
31	G	41.8	Very low	41.5	Very low	23 Å²	23	121.2 Å²	121.2	24%	0.237	74%	0.735	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	-17.7	-173.2	0	0	0	0	0	116.4	D29 R46	D29-G31 PolarHBondContact O-N 3.27Å; G31-R46 PolarHBondContact O-NH2 3.3Å
32	H	43.3	Very low	42.4	Very low	181 Å²	181	120.5 Å²	120.5	84%	0.838	73%	0.731	S	S	*	*			trans	-102.4	101.1	-174	-97.9	-79.7	0	0	0	112.4
33	Y	49.6	Very low	43.3	Very low	117 Å²	117	120 Å²	120	46%	0.459	73%	0.726	S	S	.	*			trans	-88.4	121.9	165.2	-60	-78.4	0	0	0	109.1	L44	Y33-L44 PolarHBondContact OH-O 2.84Å
34	S	41.2	Very low	44.4	Very low	93 Å²	93	118 Å²	118	65%	0.65	70%	0.697	S	S	*	*			trans	-104.9	114	165.9	-179.9	0	0	0	0	107.9	S36	S34-S36 PolarHBondContact O-N 2.88Å
35	F	41.8	Very low	45.4	Very low	215 Å²	215	116.6 Å²	116.6	94%	0.943	69%	0.685	S	S	*	*			trans	-71.6	84.1	167.1	-106.1	-87.1	0	0	0	108
36	S	45.6	Very low	46	Very low	54 Å²	54	120.4 Å²	120.4	38%	0.378	67%	0.669	S	S	.	*			trans	-101.7	134.7	171.6	87.7	0	0	0	0	109.7	S34 Q38	S34-S36 PolarHBondContact O-N 2.88Å; S36-Q38 PolarHBondContact O-N 3.27Å
37	A	46.2	Very low	47.6	Very low	115 Å²	115	121.6 Å²	121.6	95%	0.95	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	3.5	176.1	0	0	0	0	0	113.6
38	Q	52.2	Low	48.6	Very low	188 Å²	188	113.8 Å²	113.8	88%	0.879	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-17.9	-175.4	-71.3	-175.2	-13.2	0	0	113.4	S36	S36-Q38 PolarHBondContact O-N 3.27Å
39	A	48.3	Very low	49.8	Very low	60 Å²	60	114.9 Å²	114.9	50%	0.496	65%	0.649	S	S	.	*	S	Bend	trans	-151.3	125.2	172	0	0	0	0	0	110.5	E41	A39-E41 PolarHBondContact O-N 2.75Å
40	P	47.4	Very low	50.6	Low	143 Å²	143	112.3 Å²	112.3	93%	0.929	64%	0.639	S	S	*	*			trans	-72.7	94.7	172.4	29.4	-30.4	0	0	0	108.7
41	E	51.2	Low	51.6	Low	157 Å²	157	111.5 Å²	111.5	73%	0.734	63%	0.633	S	S	*	*			trans	-83.2	118.1	168.7	-109.6	-177.7	168.2	0	0	109.4	A39 A43	A39-E41 PolarHBondContact O-N 2.75Å; E41-A43 PolarHBondContact O-N 2.95Å
42	L	52.5	Low	52.8	Low	149 Å²	149	113 Å²	113	78%	0.78	64%	0.642	S	S	*	*			trans	-69.1	115.2	171.5	-163.9	78.7	0	0	0	107.9	L44	L42-L44 HydrophobicContact CD2-CD2 4.23Å; L42-L44 PolarHBondContact O-N 2.83Å
43	A	53.8	Low	53.8	Low	79 Å²	79	108 Å²	108	65%	0.653	62%	0.618	S	S	*	*			trans	-63.6	108.3	176.8	0	0	0	0	0	110	E41	E41-A43 PolarHBondContact O-N 2.95Å
44	L	53.1	Low	54.4	Low	37 Å²	37	107 Å²	107	19%	0.194	62%	0.62	C	S	.	*	P	Polyproline II helix	trans	-98.6	152.5	173	-67.8	177.7	0	0	0	110.9	Y33 L42 R46 P50	Y33-L44 PolarHBondContact OH-O 2.84Å; L42-L44 HydrophobicContact CD2-CD2 4.23Å; L42-L44 PolarHBondContact O-N 2.83Å; L44-R46 PolarHBondContact O-N 2.91Å; L44-P50 HydrophobicContact CD1-CB 3.59Å; L44-P50 HydrophobicContact CD1-CG 3.63Å
45	P	52.7	Low	55.5	Low	87 Å²	87	111.8 Å²	111.8	57%	0.565	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-52.5	137.1	173.2	-23.5	32.5	0	0	0	111.7	G47 M48	P45-G47 PolarHBondContact O-N 3.42Å; P45-M48 PolarHBondContact O-N 3.22Å
46	R	52.4	Low	56.4	Low	178 Å²	178	105.7 Å²	105.7	67%	0.672	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	130	178.9	-72.8	-176.2	169.2	-179.6	-3.1	110.6	G31 L44	G31-R46 PolarHBondContact O-NH2 3.3Å; L44-R46 PolarHBondContact O-N 2.91Å
47	G	62.8	Low	57	Low	85 Å²	85	106.3 Å²	106.3	88%	0.876	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.8	-1.4	178.5	0	0	0	0	0	115.7	P45	P45-G47 PolarHBondContact O-N 3.42Å
48	M	58	Low	57.5	Low	88 Å²	88	102.6 Å²	102.6	43%	0.433	58%	0.577	S	S	.	*			trans	-107.2	117.4	-179.5	-165	173.4	-77.4	0	0	111.2	P45 F53	P45-M48 PolarHBondContact O-N 3.22Å; M48-F53 HydrophobicContact CE-CD2 4.41Å; M48-F53 HydrophobicContact CG-CB 4Å; M48-F53 HydrophobicContact CG-CD2 4.38Å; M48-F53 HydrophobicContact SD-CB 3.95Å; M48-F53 HydrophobicContact SD-CD2 3.25Å; M48-F53 WeakPolarHBondContact SD-CD2 3.47Å; M48-F53 HydrophobicContact SD-CE2 3.94Å; M48-F53 HydrophobicContact SD-CG 3.85Å
49	Q	67.9	Low	57.7	Low	140 Å²	140	94.6 Å²	94.6	65%	0.654	55%	0.545	S	S	*	.			trans	-71.3	126.7	173.1	-94.1	-169	-4.1	0	0	110.2	T51 A52 F53	Q49-T51 VanDerWaalsContact C-N 3.28Å; Q49-T51 PolarHBondContact O-N 3.5Å; Q49-A52 HydrophobicContact CB-CB 3.96Å; Q49-A52 WeakPolarHBondContact O-CB 3.48Å; Q49-A52 PolarHBondContact O-N 3.12Å; Q49-F53 PolarHBondContact O-N 3.49Å
50	P	59.1	Low	57.9	Low	69 Å²	69	98.3 Å²	98.3	45%	0.448	56%	0.556	S	S	.	*	H	α-helix	trans	-53.2	-44.1	-179.1	-17.4	18.1	0	0	0	113.1	L44 A52 F53 L54	L44-P50 HydrophobicContact CD1-CB 3.59Å; L44-P50 HydrophobicContact CD1-CG 3.63Å; P50-A52 VanDerWaalsContact C-N 3.32Å; P50-A52 PolarHBondContact O-N 2.96Å; P50-F53 PolarHBondContact O-N 2.87Å; P50-L54 WeakPolarHBondContact O-CB 3.22Å; P50-L54 WeakPolarHBondContact O-CG 3.27Å; P50-L54 PolarHBondContact O-N 3.43Å
51	T	63.4	Low	58.2	Low	84 Å²	84	101.2 Å²	101.2	52%	0.515	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-35.9	-179.8	-41.7	0	0	0	0	112.1	Q49 R55	Q49-T51 VanDerWaalsContact C-N 3.28Å; Q49-T51 PolarHBondContact O-N 3.5Å; T51-R55 WeakPolarHBondContact O-CB 3.5Å; T51-R55 VanDerWaalsContact O-CG 3.25Å; T51-R55 WeakPolarHBondContact O-CG 3.02Å; T51-R55 PolarHBondContact O-N 3.3Å
52	A	66.3	Low	58.2	Low	53 Å²	53	102.7 Å²	102.7	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-72.2	-40.4	177.6	0	0	0	0	0	111.4	Q49 P50 R55 S56	Q49-A52 HydrophobicContact CB-CB 3.96Å; Q49-A52 WeakPolarHBondContact O-CB 3.48Å; Q49-A52 PolarHBondContact O-N 3.12Å; P50-A52 VanDerWaalsContact C-N 3.32Å; P50-A52 PolarHBondContact O-N 2.96Å; A52-R55 PolarHBondContact O-N 3.08Å; A52-S56 PolarHBondContact O-N 3.08Å
53	F	65.3	Low	58.1	Low	77 Å²	77	104.4 Å²	104.4	34%	0.338	56%	0.56	S	S	.	*	H	α-helix	trans	-62.4	-46.8	173.7	177.4	-101.6	0	0	0	111.8	M48 Q49 P50 R55 S56 F57	M48-F53 HydrophobicContact CE-CD2 4.41Å; M48-F53 HydrophobicContact CG-CB 4Å; M48-F53 HydrophobicContact CG-CD2 4.38Å; M48-F53 HydrophobicContact SD-CB 3.95Å; M48-F53 HydrophobicContact SD-CD2 3.25Å; M48-F53 WeakPolarHBondContact SD-CD2 3.47Å; M48-F53 HydrophobicContact SD-CE2 3.94Å; M48-F53 HydrophobicContact SD-CG 3.85Å; Q49-F53 PolarHBondContact O-N 3.49Å; P50-F53 PolarHBondContact O-N 2.87Å; F53-R55 VanDerWaalsContact C-N 3.34Å; F53-R55 PolarHBondContact O-N 2.8Å; F53-S56 PolarHBondContact O-N 3.02Å; F53-S56 PolarHBondContact O-OG 3.07Å; F53-F57 HydrophobicContact CD1-CE2 4.23Å; F53-F57 AromaticContact CD2-CE2 3.86Å; F53-F57 HydrophobicContact CD2-CE2 3.86Å; F53-F57 HydrophobicContact CE1-CD2 4.34Å; F53-F57 AromaticContact CE1-CE2 3.86Å; F53-F57 HydrophobicContact CE1-CE2 3.86Å; F53-F57 AromaticContact CE2-CE2 3.5Å; F53-F57 HydrophobicContact CE2-CE2 3.5Å; F53-F57 HydrophobicContact CE2-CZ 4.05Å; F53-F57 HydrophobicContact CG-CE2 4.24Å; F53-F57 HydrophobicContact CZ-CD2 4.39Å; F53-F57 AromaticContact CZ-CE2 3.49Å; F53-F57 HydrophobicContact CZ-CE2 3.49Å; F53-F57 VanDerWaalsContact CZ-CE2 3.49Å; F53-F57 HydrophobicContact CZ-CZ 4.09Å; F53-F57 WeakPolarHBondContact O-CD2 3.5Å; F53-F57 WeakPolarHBondContact O-CE2 3.15Å
54	L	60.6	Low	58	Low	96 Å²	96	109 Å²	109	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-35.9	178.3	-69.3	173.8	0	0	0	112.2	P50 S56 F57 G58	P50-L54 WeakPolarHBondContact O-CB 3.22Å; P50-L54 WeakPolarHBondContact O-CG 3.27Å; P50-L54 PolarHBondContact O-N 3.43Å; L54-S56 VanDerWaalsContact C-N 3.28Å; L54-S56 PolarHBondContact O-N 2.86Å; L54-F57 PolarHBondContact O-N 2.91Å; L54-F57 VanDerWaalsContact O-N 3.09Å; L54-G58 PolarHBondContact O-N 2.88Å
55	R	64.3	Low	57.8	Low	194 Å²	194	110 Å²	110	73%	0.732	58%	0.582	S	S	*	*	H	α-helix	trans	-60.7	-33.5	174	-82.8	-179	-162.9	174	5.4	113.1	T51 A52 F53 F57 G58	T51-R55 WeakPolarHBondContact O-CB 3.5Å; T51-R55 VanDerWaalsContact O-CG 3.25Å; T51-R55 WeakPolarHBondContact O-CG 3.02Å; T51-R55 PolarHBondContact O-N 3.3Å; A52-R55 PolarHBondContact O-N 3.08Å; F53-R55 VanDerWaalsContact C-N 3.34Å; F53-R55 PolarHBondContact O-N 2.8Å; R55-F57 PolarHBondContact O-N 2.82Å; R55-G58 PolarHBondContact O-N 2.99Å; R55-G58 VanDerWaalsContact O-N 3.13Å
56	S	61.5	Low	57.9	Low	87 Å²	87	113.8 Å²	113.8	61%	0.608	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-13	177.2	59.7	0	0	0	0	113.8	A52 F53 L54	A52-S56 PolarHBondContact O-N 3.08Å; F53-S56 PolarHBondContact O-N 3.02Å; F53-S56 PolarHBondContact O-OG 3.07Å; L54-S56 VanDerWaalsContact C-N 3.28Å; L54-S56 PolarHBondContact O-N 2.86Å
57	F	59.1	Low	58.1	Low	67 Å²	67	109.2 Å²	109.2	29%	0.294	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.3	-1.7	172.5	-58.9	-79.5	0	0	0	112.7	F53 L54 R55 I67 E68	F53-F57 HydrophobicContact CD1-CE2 4.23Å; F53-F57 AromaticContact CD2-CE2 3.86Å; F53-F57 HydrophobicContact CD2-CE2 3.86Å; F53-F57 HydrophobicContact CE1-CD2 4.34Å; F53-F57 AromaticContact CE1-CE2 3.86Å; F53-F57 HydrophobicContact CE1-CE2 3.86Å; F53-F57 AromaticContact CE2-CE2 3.5Å; F53-F57 HydrophobicContact CE2-CE2 3.5Å; F53-F57 HydrophobicContact CE2-CZ 4.05Å; F53-F57 HydrophobicContact CG-CE2 4.24Å; F53-F57 HydrophobicContact CZ-CD2 4.39Å; F53-F57 AromaticContact CZ-CE2 3.49Å; F53-F57 HydrophobicContact CZ-CE2 3.49Å; F53-F57 VanDerWaalsContact CZ-CE2 3.49Å; F53-F57 HydrophobicContact CZ-CZ 4.09Å; F53-F57 WeakPolarHBondContact O-CD2 3.5Å; F53-F57 WeakPolarHBondContact O-CE2 3.15Å; L54-F57 PolarHBondContact O-N 2.91Å; L54-F57 VanDerWaalsContact O-N 3.09Å; R55-F57 PolarHBondContact O-N 2.82Å; F57-I67 HydrophobicContact CB-CG2 4.16Å; F57-I67 CarbonylContact O-C 3.45Å; F57-I67 VanDerWaalsContact O-CA 3.23Å; F57-I67 WeakPolarHBondContact O-CA 3.41Å; F57-E68 PolarHBondContact O-N 3.43Å
58	G	55.5	Low	57.8	Low	36 Å²	36	110.7 Å²	110.7	37%	0.371	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-75.4	125.7	175.4	0	0	0	0	0	111.2	L54 R55 Q66	L54-G58 PolarHBondContact O-N 2.88Å; R55-G58 PolarHBondContact O-N 2.99Å; R55-G58 VanDerWaalsContact O-N 3.13Å; G58-Q66 VanDerWaalsContact CA-O 3.26Å; G58-Q66 WeakPolarHBondContact CA-O 3.18Å
59	G	56.6	Low	57.8	Low	20 Å²	20	111.2 Å²	111.2	21%	0.206	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-64.5	166.9	170.8	0	0	0	0	0	112.1
60	D	53.5	Low	57.3	Low	138 Å²	138	106.8 Å²	106.8	74%	0.738	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-49.3	141.6	173.8	-80.3	-33	0	0	0	110.7	E62 R63	D60-E62 PolarHBondContact O-N 3.09Å; D60-R63 PolarHBondContact O-N 2.97Å; D60-R63 VanDerWaalsContact O-N 3.1Å
61	Q	52.4	Low	57.5	Low	204 Å²	204	106.2 Å²	106.2	95%	0.953	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-1.9	-172	-64.6	179.3	2.4	0	0	115.5
62	E	52.5	Low	57.9	Low	188 Å²	188	102.5 Å²	102.5	88%	0.879	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.1	177.6	-64.1	-173.2	163.1	0	0	114	D60	D60-E62 PolarHBondContact O-N 3.09Å
63	R	50	Low	59.1	Low	185 Å²	185	100.5 Å²	100.5	70%	0.698	51%	0.506	S	S	*	.	S	Bend	trans	-104.3	125.1	178.9	-60.7	-176.4	-163.8	176	8	110	D60 V65	D60-R63 PolarHBondContact O-N 2.97Å; D60-R63 VanDerWaalsContact O-N 3.1Å; R63-V65 PolarHBondContact O-N 3.39Å
64	N	50.4	Low	60.7	Low	176 Å²	176	96.8 Å²	96.8	94%	0.941	49%	0.49	S	S	*	.	S	Bend	trans	-63.8	7.7	175.2	-106.4	-17.2	0	0	0	114.5
65	V	49.8	Very low	62.5	Low	58 Å²	58	92.2 Å²	92.2	35%	0.352	47%	0.466	S	S	.	.			trans	-104.7	107.2	179.7	-177.8	0	0	0	0	108.3	R63 I67	R63-V65 PolarHBondContact O-N 3.39Å; V65-I67 VanDerWaalsContact C-N 3.31Å; V65-I67 PolarHBondContact O-N 2.88Å
66	Q	53.7	Low	64.1	Low	166 Å²	166	83 Å²	83	78%	0.776	43%	0.431	S	S	*	.			trans	-82.5	3.4	-169.7	-64.7	-168.7	-13.6	0	0	115.1	G58	G58-Q66 VanDerWaalsContact CA-O 3.26Å; G58-Q66 WeakPolarHBondContact CA-O 3.18Å
67	I	57.6	Low	65.9	Low	83 Å²	83	78.9 Å²	78.9	43%	0.426	40%	0.402	S	S	.	.			trans	-138.5	108.3	176.7	-56.9	179	0	0	0	108.9	F57 V65 M69	F57-I67 HydrophobicContact CB-CG2 4.16Å; F57-I67 CarbonylContact O-C 3.45Å; F57-I67 VanDerWaalsContact O-CA 3.23Å; F57-I67 WeakPolarHBondContact O-CA 3.41Å; V65-I67 VanDerWaalsContact C-N 3.31Å; V65-I67 PolarHBondContact O-N 2.88Å; I67-M69 HydrophobicContact CG2-CG 4.29Å; I67-M69 PolarHBondContact O-N 2.9Å
68	E	56.3	Low	67.8	Low	116 Å²	116	75.7 Å²	75.7	54%	0.542	39%	0.388	S	S	.	.			trans	-72.4	102.5	164.6	-74.2	-165.1	159.4	0	0	108.6	F57 A70	F57-E68 PolarHBondContact O-N 3.43Å; E68-A70 PolarHBondContact O-N 3.08Å
69	M	58.8	Low	69.8	Low	98 Å²	98	75 Å²	75	48%	0.483	38%	0.375	S	S	.	.			trans	-71.1	121.6	174	-64.4	-165.8	-164.7	0	0	108.9	I67 H71 C120	I67-M69 HydrophobicContact CG2-CG 4.29Å; I67-M69 PolarHBondContact O-N 2.9Å; M69-H71 VanDerWaalsContact CB-NE2 3.34Å; M69-H71 WeakPolarHBondContact CB-NE2 3.23Å; M69-H71 PolarHBondContact O-CE1 3.22Å; M69-H71 PolarHBondContact O-N 2.95Å; M69-H71 PolarHBondContact O-ND1 2.88Å; M69-C120 HydrophobicContact SD-CB 3.94Å
70	A	56.9	Low	71.8	Confident	48 Å²	48	74.4 Å²	74.4	40%	0.397	37%	0.366	S	S	.	.			trans	-72.2	112.5	171.6	0	0	0	0	0	108.9	E68 G72	E68-A70 PolarHBondContact O-N 3.08Å; A70-G72 PolarHBondContact O-N 2.84Å
71	H	63.2	Low	73.8	Confident	57 Å²	57	73.5 Å²	73.5	26%	0.264	36%	0.358	S	S	.	.			trans	-94.6	90.7	-177.7	-59	111.1	0	0	0	110.5	M69 G119 C120 S168 S202	M69-H71 VanDerWaalsContact CB-NE2 3.34Å; M69-H71 WeakPolarHBondContact CB-NE2 3.23Å; M69-H71 PolarHBondContact O-CE1 3.22Å; M69-H71 PolarHBondContact O-N 2.95Å; M69-H71 PolarHBondContact O-ND1 2.88Å; H71-G119 WeakPolarHBondContact CD2-CA 3.43Å; H71-G119 PolarHBondContact CD2-O 2.96Å; H71-C120 PolarHBondContact CD2-N 3.44Å; H71-C120 PolarHBondContact NE2-N 3.18Å; H71-S168 WeakPolarHBondContact CE1-CB 3.46Å; H71-S168 PolarHBondContact CE1-OG 3.25Å; H71-S168 PolarHBondContact ND1-OG 2.91Å; H71-S168 WeakPolarHBondContact NE2-CB 3.31Å; H71-S168 PolarHBondContact NE2-OG 3.17Å; H71-S202 WeakPolarHBondContact O-CB 3.15Å; H71-S202 PolarHBondContact O-OG 3.38Å
72	G	71.8	Confident	76	Confident	5 Å²	5	68 Å²	68	5%	0.052	33%	0.332	C	S	.	.			trans	-93.4	100.5	178.6	0	0	0	0	0	113.6	A70 Y241	A70-G72 PolarHBondContact O-N 2.84Å; G72-Y241 CarbonylContact C-O 3.59Å
73	T	92.4	Very high	78.1	Confident	11 Å²	11	59 Å²	59	7%	0.067	29%	0.29	C	S	.	.			trans	-167.7	150.8	-176.6	-71	0	0	0	0	111.7	T75 K105 G201 S202 G203 S242	T73-T75 HydrophobicContact CG2-CG2 3.6Å; T73-K105 HydrophobicContact CG2-CD 3.61Å; T73-K105 PolarHBondContact OG1-NZ 3.13Å; T73-G201 CarbonylContact O-C 3.56Å; T73-G201 WeakPolarHBondContact O-CA 3.39Å; T73-S202 PolarHBondContact N-OG 2.9Å; T73-S202 PolarHBondContact O-N 3.49Å; T73-S202 PolarHBondContact O-OG 3.46Å; T73-G203 PolarHBondContact O-N 2.86Å; T73-S242 PolarHBondContact O-OG 2.72Å
74	T	97.7	Very high	80.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.			trans	-127.1	120.3	162.2	-53.8	0	0	0	0	109.3	D89 G203 A207 I232 A235 S242	T74-D89 PolarHBondContact N-OD1 3.49Å; T74-D89 PolarHBondContact O-N 2.84Å; T74-D89 VanDerWaalsContact O-OD1 3.13Å; T74-G203 VanDerWaalsContact OG1-CA 3.24Å; T74-G203 WeakPolarHBondContact OG1-CA 3.37Å; T74-A207 HydrophobicContact CG2-CB 3.83Å; T74-I232 HydrophobicContact CG2-CD1 3.69Å; T74-A235 HydrophobicContact CG2-CB 3.77Å; T74-S242 PolarHBondContact N-OG 3.35Å; T74-S242 VanDerWaalsContact N-OG 3.15Å; T74-S242 WeakPolarHBondContact OG1-CB 3.46Å; T74-S242 PolarHBondContact OG1-OG 3Å
75	T	98.2	Very high	82.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.4	167.3	72.7	0	0	0	0	109.7	T73 V88 M172 S199 T200	T73-T75 HydrophobicContact CG2-CG2 3.6Å; T75-V88 HydrophobicContact CG2-CB 3.98Å; T75-V88 HydrophobicContact CG2-CG1 3.54Å; T75-M172 WeakPolarHBondContact OG1-CE 3.31Å; T75-S199 CarbonylContact O-C 3.58Å; T75-S199 WeakPolarHBondContact O-CA 3.43Å; T75-S199 WeakPolarHBondContact O-CB 3.33Å; T75-S199 PolarHBondContact O-OG 2.83Å; T75-T200 PolarHBondContact N-O 2.91Å; T75-T200 PolarHBondContact O-N 2.92Å; T75-T200 PolarHBondContact OG1-OG1 2.91Å
76	L	98.4	Very high	85	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.3	171.7	65.6	86.3	0	0	0	110.7	F78 A87 F198 A207 M211 A231 I232	L76-F78 HydrophobicContact CD1-CD1 3.94Å; L76-F78 HydrophobicContact CD1-CE1 4.05Å; L76-A87 HydrophobicContact CD1-CB 3.87Å; L76-A87 HydrophobicContact CG-CB 4.12Å; L76-A87 PolarHBondContact N-O 2.85Å; L76-A87 PolarHBondContact O-N 3.29Å; L76-F198 CarbonylContact C-O 3.17Å; L76-F198 VanDerWaalsContact CA-O 3.31Å; L76-F198 WeakPolarHBondContact CA-O 3.28Å; L76-A207 HydrophobicContact CD2-CB 4.06Å; L76-M211 HydrophobicContact CB-CE 4.3Å; L76-M211 HydrophobicContact CB-SD 4.11Å; L76-M211 HydrophobicContact CD1-SD 3.95Å; L76-M211 HydrophobicContact CD2-SD 4.36Å; L76-M211 HydrophobicContact CG-SD 4.37Å; L76-A231 HydrophobicContact CD2-CB 3.47Å; L76-A231 VanDerWaalsContact CD2-CB 3.47Å; L76-I232 HydrophobicContact CD2-CD1 3.57Å; L76-I232 HydrophobicContact CD2-CG1 3.79Å; L76-I232 HydrophobicContact CG-CD1 3.85Å; L76-I232 HydrophobicContact CG-CG1 4.19Å
77	A	98.7	Very high	87.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	140.2	170	0	0	0	0	0	110.3	I85 V86 M172 L183 M197 F198	A77-I85 CarbonylContact C-O 3.59Å; A77-I85 WeakPolarHBondContact CA-O 3.32Å; A77-I85 WeakPolarHBondContact CB-O 3.21Å; A77-V86 HydrophobicContact CB-CG2 4.06Å; A77-M172 HydrophobicContact CB-CE 4.23Å; A77-M172 HydrophobicContact CB-SD 3.9Å; A77-L183 HydrophobicContact CB-CD1 3.69Å; A77-L183 HydrophobicContact CB-CD2 4.02Å; A77-M197 CarbonylContact O-C 3.58Å; A77-M197 VanDerWaalsContact O-CA 3.3Å; A77-M197 WeakPolarHBondContact O-CA 3.12Å; A77-F198 PolarHBondContact N-O 3.28Å; A77-F198 PolarHBondContact O-N 3.45Å
78	F	98.7	Very high	89.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.6	175.3	63.2	-90.8	0	0	0	111.6	L76 V84 I85 Q196 M197 M211 Y215 L219 A224 L227	L76-F78 HydrophobicContact CD1-CD1 3.94Å; L76-F78 HydrophobicContact CD1-CE1 4.05Å; F78-V84 WeakPolarHBondContact O-CA 3.36Å; F78-V84 WeakPolarHBondContact O-CG1 3.22Å; F78-I85 HydrophobicContact CD1-CB 4.3Å; F78-I85 HydrophobicContact CE1-CB 3.82Å; F78-I85 HydrophobicContact CE1-CG1 4.41Å; F78-I85 HydrophobicContact CE1-CG2 3.91Å; F78-I85 HydrophobicContact CE2-CB 4.08Å; F78-I85 HydrophobicContact CE2-CG1 3.93Å; F78-I85 HydrophobicContact CZ-CB 3.7Å; F78-I85 HydrophobicContact CZ-CG1 3.78Å; F78-I85 HydrophobicContact CZ-CG2 4.04Å; F78-I85 PolarHBondContact N-O 3.11Å; F78-I85 PolarHBondContact O-N 3.47Å; F78-Q196 CarbonylContact C-O 3.58Å; F78-Q196 VanDerWaalsContact CA-O 3.3Å; F78-Q196 WeakPolarHBondContact CA-O 3.2Å; F78-M197 HydrophobicContact CB-CB 3.93Å; F78-M197 HydrophobicContact CB-CG 3.84Å; F78-M197 HydrophobicContact CB-SD 4.19Å; F78-M211 HydrophobicContact CB-SD 4.31Å; F78-M211 HydrophobicContact CD1-CG 4.23Å; F78-M211 HydrophobicContact CD1-SD 3.69Å; F78-M211 HydrophobicContact CE1-SD 4.49Å; F78-M211 HydrophobicContact CG-SD 4.37Å; F78-Y215 HydrophobicContact CB-CE2 4.35Å; F78-Y215 AromaticContact CD2-CD2 3.91Å; F78-Y215 HydrophobicContact CD2-CD2 3.91Å; F78-Y215 AromaticContact CD2-CE2 3.81Å; F78-Y215 HydrophobicContact CD2-CE2 3.81Å; F78-Y215 HydrophobicContact CE2-CD2 4.48Å; F78-Y215 HydrophobicContact CG-CD2 4.38Å; F78-Y215 HydrophobicContact CG-CE2 4.42Å; F78-L219 HydrophobicContact CE2-CD1 4.45Å; F78-A224 HydrophobicContact CE2-CB 4.1Å; F78-A224 HydrophobicContact CZ-CB 4.22Å; F78-L227 HydrophobicContact CE2-CD2 4.5Å; F78-L227 HydrophobicContact CZ-CD2 4.17Å
79	K	98.4	Very high	91.1	Very high	22 Å²	22	21.7 Å²	21.7	10%	0.096	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	149.5	174.6	-56.2	-170.2	-172.6	-176.6	0	109.7	G83 V84 P181 L183 G195 Q196 Y215	K79-G83 CarbonylContact C-O 3.52Å; K79-G83 WeakPolarHBondContact CA-O 3.34Å; K79-V84 HydrophobicContact CG-CG1 4.34Å; K79-V84 HydrophobicContact CG-CG2 4.03Å; K79-P181 WeakPolarHBondContact CE-O 3.34Å; K79-P181 PolarHBondContact NZ-O 2.79Å; K79-L183 HydrophobicContact CD-CB 4.3Å; K79-L183 HydrophobicContact CG-CB 4.08Å; K79-L183 HydrophobicContact CG-CD2 4.38Å; K79-G195 WeakPolarHBondContact CE-O 3.46Å; K79-Q196 PolarHBondContact N-O 3.46Å; K79-Y215 WeakPolarHBondContact O-CE2 3.34Å; K79-Y215 PolarHBondContact O-OH 3.1Å
80	F	97.9	Very high	93	Very high	7 Å²	7	17 Å²	17	3%	0.031	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	179.7	172.3	72.6	-64.4	0	0	0	109	H82 G83 I85 L219 A224 H250	F80-H82 HydrophobicContact CD2-CB 4.22Å; F80-H82 HydrophobicContact CE2-CB 3.54Å; F80-H82 AromaticContact CE2-CD2 3.75Å; F80-H82 HydrophobicContact CZ-CB 3.7Å; F80-H82 PolarHBondContact O-N 3.3Å; F80-H82 VanDerWaalsContact O-N 3.09Å; F80-G83 WeakPolarHBondContact CD1-O 3.3Å; F80-G83 PolarHBondContact N-O 3.46Å; F80-G83 PolarHBondContact O-N 3.03Å; F80-G83 VanDerWaalsContact O-N 3.08Å; F80-G83 VanDerWaalsContact O-O 3.09Å; F80-I85 HydrophobicContact CD1-CG1 4.15Å; F80-I85 HydrophobicContact CE1-CD1 3.73Å; F80-I85 HydrophobicContact CE1-CG1 3.68Å; F80-I85 HydrophobicContact CZ-CD1 4.06Å; F80-I85 HydrophobicContact CZ-CG1 4.29Å; F80-L219 HydrophobicContact CD2-CB 4.35Å; F80-L219 WeakPolarHBondContact CD2-O 3.22Å; F80-A224 HydrophobicContact CD2-CB 4.08Å; F80-A224 HydrophobicContact CE1-CB 4.42Å; F80-A224 HydrophobicContact CE2-CB 3.82Å; F80-A224 HydrophobicContact CG-CB 4.45Å; F80-A224 HydrophobicContact CZ-CB 4.02Å; F80-H250 AromaticContact CE1-NE2 3.75Å; F80-H250 AromaticContact CZ-CE1 3.9Å; F80-H250 AromaticContact CZ-NE2 3.57Å
81	Q	96.8	Very high	94.8	Very high	120 Å²	120	17.2 Å²	17.2	56%	0.561	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-34.9	-176	-86.6	179.3	24.5	0	0	114.4	Q217	Q81-Q217 VanDerWaalsContact CG-O 3.27Å; Q81-Q217 WeakPolarHBondContact CG-O 3.24Å; Q81-Q217 PolarHBondContact N-O 3.27Å
82	H	97.2	Very high	96.3	Very high	88 Å²	88	15.8 Å²	15.8	41%	0.407	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.7	-176.4	-52.9	-69.1	0	0	0	114.4	F80 P221 H250	F80-H82 HydrophobicContact CD2-CB 4.22Å; F80-H82 HydrophobicContact CE2-CB 3.54Å; F80-H82 AromaticContact CE2-CD2 3.75Å; F80-H82 HydrophobicContact CZ-CB 3.7Å; F80-H82 PolarHBondContact O-N 3.3Å; F80-H82 VanDerWaalsContact O-N 3.09Å; H82-P221 HydrophobicContact CB-CG 4.41Å; H82-H250 PolarHBondContact O-NE2 3.35Å; H82-H250 VanDerWaalsContact O-NE2 3.12Å
83	G	97.2	Very high	97.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.6	-132.7	173.9	0	0	0	0	0	114	K79 F80 W176 M251	K79-G83 CarbonylContact C-O 3.52Å; K79-G83 WeakPolarHBondContact CA-O 3.34Å; F80-G83 WeakPolarHBondContact CD1-O 3.3Å; F80-G83 PolarHBondContact N-O 3.46Å; F80-G83 PolarHBondContact O-N 3.03Å; F80-G83 VanDerWaalsContact O-N 3.08Å; F80-G83 VanDerWaalsContact O-O 3.09Å; G83-W176 VanDerWaalsContact CA-CZ3 3.41Å; G83-M251 WeakPolarHBondContact CA-O 3.48Å
84	V	98.6	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.1	-179	-164	0	0	0	0	110.2	F78 K79 C174 P181 L183 M251	F78-V84 WeakPolarHBondContact O-CA 3.36Å; F78-V84 WeakPolarHBondContact O-CG1 3.22Å; K79-V84 HydrophobicContact CG-CG1 4.34Å; K79-V84 HydrophobicContact CG-CG2 4.03Å; V84-C174 VanDerWaalsContact CB-SG 3.51Å; V84-C174 VanDerWaalsContact CG1-SG 3.54Å; V84-P181 HydrophobicContact CG2-CB 3.59Å; V84-L183 HydrophobicContact CG1-CD1 4.44Å; V84-L183 HydrophobicContact CG1-CD2 4.5Å; V84-M251 HydrophobicContact CB-CB 4.03Å; V84-M251 HydrophobicContact CG2-CB 4.45Å; V84-M251 PolarHBondContact N-O 3.1Å; V84-M251 VanDerWaalsContact N-O 3.08Å; V84-M251 PolarHBondContact O-N 2.7Å
85	I	98.6	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.9	168.7	-60.3	-52.5	0	0	0	108.5	A77 F78 F80 A224 Y225 M248 H250	A77-I85 CarbonylContact C-O 3.59Å; A77-I85 WeakPolarHBondContact CA-O 3.32Å; A77-I85 WeakPolarHBondContact CB-O 3.21Å; F78-I85 HydrophobicContact CD1-CB 4.3Å; F78-I85 HydrophobicContact CE1-CB 3.82Å; F78-I85 HydrophobicContact CE1-CG1 4.41Å; F78-I85 HydrophobicContact CE1-CG2 3.91Å; F78-I85 HydrophobicContact CE2-CB 4.08Å; F78-I85 HydrophobicContact CE2-CG1 3.93Å; F78-I85 HydrophobicContact CZ-CB 3.7Å; F78-I85 HydrophobicContact CZ-CG1 3.78Å; F78-I85 HydrophobicContact CZ-CG2 4.04Å; F78-I85 PolarHBondContact N-O 3.11Å; F78-I85 PolarHBondContact O-N 3.47Å; F80-I85 HydrophobicContact CD1-CG1 4.15Å; F80-I85 HydrophobicContact CE1-CD1 3.73Å; F80-I85 HydrophobicContact CE1-CG1 3.68Å; F80-I85 HydrophobicContact CZ-CD1 4.06Å; F80-I85 HydrophobicContact CZ-CG1 4.29Å; I85-A224 HydrophobicContact CD1-CB 4.42Å; I85-A224 HydrophobicContact CG1-CB 3.93Å; I85-Y225 HydrophobicContact CD1-CD1 3.7Å; I85-Y225 HydrophobicContact CD1-CE1 3.62Å; I85-M248 HydrophobicContact CG2-CG 4.04Å; I85-M248 HydrophobicContact CG2-SD 3.85Å; I85-H250 HydrophobicContact CD1-CB 4.01Å
86	V	98.7	Very high	95.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.5	169.8	-178.9	0	0	0	0	107.2	A77 V88 V106 L114 T116 C174 M248 Y249	A77-V86 HydrophobicContact CB-CG2 4.06Å; V86-V88 HydrophobicContact CG1-CG1 4.47Å; V86-V106 HydrophobicContact CG1-CG2 4.16Å; V86-L114 HydrophobicContact CG2-CD1 4.5Å; V86-T116 HydrophobicContact CG1-CG2 3.48Å; V86-T116 VanDerWaalsContact CG1-CG2 3.48Å; V86-C174 HydrophobicContact CG2-CB 3.89Å; V86-M248 CarbonylContact O-C 3.48Å; V86-M248 WeakPolarHBondContact O-CA 3.49Å; V86-Y249 PolarHBondContact N-O 3.32Å; V86-Y249 PolarHBondContact O-N 2.81Å
87	A	98.6	Very high	94.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.8	178.2	0	0	0	0	0	110.2	L76 I232 N247 M248	L76-A87 HydrophobicContact CD1-CB 3.87Å; L76-A87 HydrophobicContact CG-CB 4.12Å; L76-A87 PolarHBondContact N-O 2.85Å; L76-A87 PolarHBondContact O-N 3.29Å; A87-I232 HydrophobicContact CB-CG1 3.77Å; A87-N247 WeakPolarHBondContact CA-O 3.34Å; A87-M248 HydrophobicContact CB-CB 4.49Å; A87-M248 HydrophobicContact CB-CG 4.28Å; A87-M248 HydrophobicContact CB-SD 4.49Å
88	V	98.5	Very high	94.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.2	-177.4	-54	0	0	0	0	110.8	T75 V86 K105 V106 T116 V246 N247	T75-V88 HydrophobicContact CG2-CB 3.98Å; T75-V88 HydrophobicContact CG2-CG1 3.54Å; V86-V88 HydrophobicContact CG1-CG1 4.47Å; V88-K105 HydrophobicContact CB-CB 4.08Å; V88-K105 HydrophobicContact CG1-CB 4.49Å; V88-K105 HydrophobicContact CG2-CB 3.89Å; V88-V106 HydrophobicContact CB-CG2 4.38Å; V88-V106 HydrophobicContact CG1-CG2 3.73Å; V88-V106 HydrophobicContact CG2-CG2 3.63Å; V88-T116 HydrophobicContact CG1-CG2 4.33Å; V88-V246 WeakPolarHBondContact O-CA 3.18Å; V88-N247 HydrophobicContact CG2-CB 3.9Å; V88-N247 PolarHBondContact N-O 3.33Å; V88-N247 PolarHBondContact O-N 3.26Å
89	D	98.1	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.			trans	-76.9	178.4	164	88.8	-60.8	0	0	0	111	T74 R91 K105 I232 T236 S242 G243 V245	T74-D89 PolarHBondContact N-OD1 3.49Å; T74-D89 PolarHBondContact O-N 2.84Å; T74-D89 VanDerWaalsContact O-OD1 3.13Å; D89-R91 PolarHBondContact OD2-N 2.98Å; D89-R91 VanDerWaalsContact OD2-N 3.12Å; D89-K105 VanDerWaalsContact O-CD 3.31Å; D89-K105 WeakPolarHBondContact O-CD 3.37Å; D89-K105 IonicContact OD1-NZ 2.72Å; D89-K105 PolarHBondContact OD1-NZ 2.78Å; D89-K105 IonicContact OD2-NZ 3.08Å; D89-K105 PolarHBondContact OD2-NZ 3.02Å; D89-K105 VanDerWaalsContact OD2-NZ 3.08Å; D89-I232 HydrophobicContact CB-CG2 4.02Å; D89-T236 HydrophobicContact CB-CG2 3.87Å; D89-S242 VanDerWaalsContact OD2-CA 3.31Å; D89-S242 WeakPolarHBondContact OD2-CA 3.29Å; D89-G243 PolarHBondContact OD2-N 3.07Å; D89-V245 CarbonylContact C-O 3.49Å
90	S	97.4	Very high	94	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.			trans	-129.4	4.5	-176.9	72.3	0	0	0	0	115	L101 M103 G243 V245	S90-L101 CarbonylContact C-O 3.56Å; S90-L101 CarbonylContact O-C 3.5Å; S90-L101 PolarHBondContact OG-O 2.92Å; S90-M103 WeakPolarHBondContact CA-O 3.45Å; S90-M103 WeakPolarHBondContact CB-O 3.28Å; S90-M103 WeakPolarHBondContact O-CB 3.35Å; S90-M103 PolarHBondContact O-N 3.03Å; S90-G243 PolarHBondContact N-O 3.06Å; S90-V245 PolarHBondContact N-O 3.21Å; S90-V245 WeakPolarHBondContact OG-CG2 3.19Å; S90-V245 PolarHBondContact OG-N 2.83Å; S90-V245 PolarHBondContact OG-O 3.46Å
91	R	96.1	Very high	93.9	Very high	52 Å²	52	45.9 Å²	45.9	20%	0.196	26%	0.259	C	S	.	.			trans	-75.9	133.2	-179.3	179.1	172.4	-71.3	169.5	3.8	110.9	D89 T93 I98 K105 N240 Y241 S242 G243	D89-R91 PolarHBondContact OD2-N 2.98Å; D89-R91 VanDerWaalsContact OD2-N 3.12Å; R91-T93 HydrophobicContact CG-CG2 3.83Å; R91-I98 HydrophobicContact CG-CG2 4.22Å; R91-K105 WeakPolarHBondContact O-CE 3.47Å; R91-K105 PolarHBondContact O-NZ 2.8Å; R91-N240 PolarHBondContact NH1-O 3.13Å; R91-Y241 WeakPolarHBondContact CD-O 3.19Å; R91-S242 PolarHBondContact NH1-O 3.31Å; R91-G243 PolarHBondContact N-O 2.92Å
92	A	93.6	Very high	93.8	Very high	27 Å²	27	48.8 Å²	48.8	22%	0.223	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.6	169.4	0	0	0	0	0	109.3	S99 S100 M103	A92-S99 PolarHBondContact O-N 3.29Å; A92-S100 PolarHBondContact N-O 2.82Å; A92-S100 PolarHBondContact O-N 3.42Å; A92-S100 VanDerWaalsContact O-N 3.07Å; A92-M103 HydrophobicContact CB-CB 4.15Å; A92-M103 HydrophobicContact CB-CG 4.48Å
93	T	88.7	Confident	93.7	Very high	26 Å²	26	47 Å²	47	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.3	-175.5	58	0	0	0	0	111.6	R91 Y97 I98 Y241	R91-T93 HydrophobicContact CG-CG2 3.83Å; T93-Y97 CarbonylContact C-O 3.55Å; T93-Y97 WeakPolarHBondContact CA-O 3.35Å; T93-I98 HydrophobicContact CG2-CG1 4.42Å; T93-Y241 HydrophobicContact CG2-CD1 4.13Å
94	A	86.2	Confident	93.5	Very high	64 Å²	64	50.4 Å²	50.4	53%	0.529	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	89	169.1	0	0	0	0	0	107.6	S96 Y97	A94-S96 PolarHBondContact O-N 3.29Å; A94-Y97 PolarHBondContact N-O 3.34Å; A94-Y97 PolarHBondContact O-N 2.92Å
95	G	84	Confident	93.5	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	-130.6	-164.5	0	0	0	0	0	110.9	Y97	G95-Y97 VanDerWaalsContact C-N 3.33Å
96	S	84.6	Confident	93.4	Very high	119 Å²	119	50.6 Å²	50.6	83%	0.832	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.8	176.4	56.1	0	0	0	0	114	A94	A94-S96 PolarHBondContact O-N 3.29Å
97	Y	87.1	Confident	93.4	Very high	166 Å²	166	52 Å²	52	65%	0.651	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.7	-179.9	179.7	-102.8	0	0	0	110.8	T93 A94 G95 S99	T93-Y97 CarbonylContact C-O 3.55Å; T93-Y97 WeakPolarHBondContact CA-O 3.35Å; A94-Y97 PolarHBondContact N-O 3.34Å; A94-Y97 PolarHBondContact O-N 2.92Å; G95-Y97 VanDerWaalsContact C-N 3.33Å; Y97-S99 PolarHBondContact O-N 3.32Å
98	I	92.4	Very high	93.3	Very high	66 Å²	66	56.3 Å²	56.3	34%	0.338	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	106.4	173.2	-59.4	176.6	0	0	0	108.1	R91 T93 L101	R91-I98 HydrophobicContact CG-CG2 4.22Å; T93-I98 HydrophobicContact CG2-CG1 4.42Å; I98-L101 HydrophobicContact CD1-CD2 4.38Å; I98-L101 HydrophobicContact CG2-CD2 3.73Å; I98-L101 HydrophobicContact CG2-CG 4.14Å
99	S	90.7	Very high	93.2	Very high	78 Å²	78	57 Å²	57	55%	0.545	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-43.3	178.6	175.3	0	0	0	0	111.8	A92 Y97	A92-S99 PolarHBondContact O-N 3.29Å; Y97-S99 PolarHBondContact O-N 3.32Å
100	S	93.9	Very high	93	Very high	45 Å²	45	59.1 Å²	59.1	32%	0.315	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	140.9	175.6	-179.6	0	0	0	0	110.9	A92 R102	A92-S100 PolarHBondContact N-O 2.82Å; A92-S100 PolarHBondContact O-N 3.42Å; A92-S100 VanDerWaalsContact O-N 3.07Å; S100-R102 PolarHBondContact OG-N 2.93Å
101	L	94.9	Very high	93	Very high	95 Å²	95	63 Å²	63	50%	0.497	34%	0.344	S	S	.	.	S	Bend	trans	-85.7	-21.3	173.7	-69.1	170.4	0	0	0	112.5	S90 I98 G244	S90-L101 CarbonylContact C-O 3.56Å; S90-L101 CarbonylContact O-C 3.5Å; S90-L101 PolarHBondContact OG-O 2.92Å; I98-L101 HydrophobicContact CD1-CD2 4.38Å; I98-L101 HydrophobicContact CG2-CD2 3.73Å; I98-L101 HydrophobicContact CG2-CG 4.14Å; L101-G244 WeakPolarHBondContact O-CA 3.32Å
102	R	95.4	Very high	93	Very high	182 Å²	182	63.8 Å²	63.8	69%	0.687	35%	0.347	S	S	*	.			trans	-132.9	65	-169.7	-67.1	-175	177.6	-178.3	-1.7	111.5	S100 V245	S100-R102 PolarHBondContact OG-N 2.93Å; R102-V245 HydrophobicContact CG-CG1 4.38Å
103	M	94.5	Very high	93.2	Very high	51 Å²	51	62.7 Å²	62.7	25%	0.251	34%	0.337	S	S	.	.			trans	-87.6	134.3	169.4	-170	64.6	-175.4	0	0	110.3	S90 A92 K105 M117	S90-M103 WeakPolarHBondContact CA-O 3.45Å; S90-M103 WeakPolarHBondContact CB-O 3.28Å; S90-M103 WeakPolarHBondContact O-CB 3.35Å; S90-M103 PolarHBondContact O-N 3.03Å; A92-M103 HydrophobicContact CB-CB 4.15Å; A92-M103 HydrophobicContact CB-CG 4.48Å; M103-K105 PolarHBondContact O-N 2.93Å; M103-M117 HydrophobicContact CE-CE 3.77Å; M103-M117 HydrophobicContact CG-CE 3.77Å
104	N	93.9	Very high	93.7	Very high	70 Å²	70	61.5 Å²	61.5	37%	0.374	33%	0.33	S	S	.	.			trans	-79.3	116.4	171	-172.4	14	0	0	0	109.7	V106 M117	N104-V106 PolarHBondContact ND2-O 3.4Å; N104-V106 VanDerWaalsContact ND2-O 3.11Å; N104-V106 PolarHBondContact OD1-N 3.02Å; N104-V106 PolarHBondContact OD1-O 2.92Å; N104-M117 WeakPolarHBondContact O-CE 3.4Å
105	K	96.9	Very high	94.3	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.013	31%	0.305	C	S	.	.			trans	-104.7	8.5	179.9	-53.7	-171.6	-169.6	175.1	0	114.1	T73 V88 D89 R91 M103 T116 M117	T73-K105 HydrophobicContact CG2-CD 3.61Å; T73-K105 PolarHBondContact OG1-NZ 3.13Å; V88-K105 HydrophobicContact CB-CB 4.08Å; V88-K105 HydrophobicContact CG1-CB 4.49Å; V88-K105 HydrophobicContact CG2-CB 3.89Å; D89-K105 VanDerWaalsContact O-CD 3.31Å; D89-K105 WeakPolarHBondContact O-CD 3.37Å; D89-K105 IonicContact OD1-NZ 2.72Å; D89-K105 PolarHBondContact OD1-NZ 2.78Å; D89-K105 IonicContact OD2-NZ 3.08Å; D89-K105 PolarHBondContact OD2-NZ 3.02Å; D89-K105 VanDerWaalsContact OD2-NZ 3.08Å; R91-K105 WeakPolarHBondContact O-CE 3.47Å; R91-K105 PolarHBondContact O-NZ 2.8Å; M103-K105 PolarHBondContact O-N 2.93Å; K105-T116 WeakPolarHBondContact O-CA 3.36Å; K105-M117 HydrophobicContact CB-CB 4.24Å; K105-M117 HydrophobicContact CB-CE 4.26Å; K105-M117 HydrophobicContact CG-CE 3.85Å; K105-M117 PolarHBondContact O-N 3.23Å
106	V	98	Very high	94.9	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.1	165.7	-176.9	0	0	0	0	108.1	V86 V88 N104 L114 G115 Y249	V86-V106 HydrophobicContact CG1-CG2 4.16Å; V88-V106 HydrophobicContact CB-CG2 4.38Å; V88-V106 HydrophobicContact CG1-CG2 3.73Å; V88-V106 HydrophobicContact CG2-CG2 3.63Å; N104-V106 PolarHBondContact ND2-O 3.4Å; N104-V106 VanDerWaalsContact ND2-O 3.11Å; N104-V106 PolarHBondContact OD1-N 3.02Å; N104-V106 PolarHBondContact OD1-O 2.92Å; V106-L114 HydrophobicContact CG1-CB 4.22Å; V106-L114 HydrophobicContact CG1-CD1 4.24Å; V106-L114 HydrophobicContact CG1-CD2 3.85Å; V106-L114 HydrophobicContact CG1-CG 4.32Å; V106-G115 CarbonylContact C-O 3.55Å; V106-G115 WeakPolarHBondContact CA-O 3.48Å; V106-Y249 HydrophobicContact CB-CD2 4.03Å; V106-Y249 HydrophobicContact CB-CE2 3.7Å; V106-Y249 HydrophobicContact CG1-CD2 4.02Å; V106-Y249 HydrophobicContact CG1-CE1 4.47Å; V106-Y249 HydrophobicContact CG1-CE2 4Å; V106-Y249 HydrophobicContact CG1-CG 4.29Å; V106-Y249 HydrophobicContact CG2-CD2 3.76Å; V106-Y249 HydrophobicContact CG2-CE2 3.78Å
107	I	97.2	Very high	95.5	Very high	30 Å²	30	52.3 Å²	52.3	15%	0.154	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120	175.4	-62.3	171.4	0	0	0	107.8	I109 G115 Q125 E128	I107-I109 HydrophobicContact CG2-CG1 4.28Å; I107-I109 PolarHBondContact O-N 3.1Å; I107-G115 PolarHBondContact N-O 3.45Å; I107-G115 PolarHBondContact O-N 3.39Å; I107-Q125 HydrophobicContact CD1-CG 4.19Å; I107-E128 HydrophobicContact CB-CB 4.47Å; I107-E128 WeakPolarHBondContact CB-OE2 3.31Å; I107-E128 HydrophobicContact CD1-CB 3.85Å; I107-E128 HydrophobicContact CD1-CG 4.23Å; I107-E128 WeakPolarHBondContact CD1-OE2 3.21Å; I107-E128 HydrophobicContact CG2-CB 4.09Å
108	E	97.6	Very high	95.8	Very high	91 Å²	91	44.8 Å²	44.8	43%	0.425	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	83	178.8	-64.1	168.8	-168.1	0	0	108.9	L114 Y249 W256	E108-L114 HydrophobicContact CG-CD2 4.09Å; E108-Y249 HydrophobicContact CG-CE1 4.35Å; E108-Y249 PolarHBondContact OE1-OH 3.5Å; E108-W256 HydrophobicContact CB-CH2 4.41Å; E108-W256 HydrophobicContact CB-CZ2 3.77Å; E108-W256 VanDerWaalsContact CD-CZ2 3.5Å; E108-W256 HydrophobicContact CG-CH2 3.73Å; E108-W256 HydrophobicContact CG-CZ2 3.51Å; E108-W256 VanDerWaalsContact OE2-CH2 3.27Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.37Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.42Å
109	I	96.3	Very high	95.8	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.072	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-46.7	-175.4	-59.2	168.4	0	0	0	110.2	I107 L113 L131 A132 I173	I107-I109 HydrophobicContact CG2-CG1 4.28Å; I107-I109 PolarHBondContact O-N 3.1Å; I109-L113 HydrophobicContact CB-CB 4.33Å; I109-L113 HydrophobicContact CB-CD2 4.15Å; I109-L113 WeakPolarHBondContact CB-O 3.49Å; I109-L113 HydrophobicContact CD1-CD2 3.75Å; I109-L113 HydrophobicContact CD1-CG 4.29Å; I109-L113 HydrophobicContact CG2-CD2 3.88Å; I109-L113 PolarHBondContact N-O 3.2Å; I109-L131 HydrophobicContact CD1-CD2 3.94Å; I109-A132 HydrophobicContact CB-CB 4.47Å; I109-A132 VanDerWaalsContact CG2-CA 3.48Å; I109-A132 HydrophobicContact CG2-CB 3.62Å; I109-I173 HydrophobicContact CD1-CD1 4Å
110	N	94.6	Very high	95.8	Very high	44 Å²	44	39.3 Å²	39.3	24%	0.235	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	175.4	170.4	64.7	56	0	0	0	109.3	Y112 L113 W256	N110-Y112 PolarHBondContact O-N 2.83Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.46Å; N110-Y112 PolarHBondContact OD1-N 3.1Å; N110-L113 PolarHBondContact N-O 2.71Å; N110-L113 WeakPolarHBondContact ND2-CB 3.39Å; N110-L113 PolarHBondContact O-N 3.17Å; N110-L113 WeakPolarHBondContact OD1-CB 3.3Å; N110-L113 PolarHBondContact OD1-N 2.82Å; N110-W256 PolarHBondContact O-NE1 2.8Å
111	P	96.3	Very high	95.7	Very high	83 Å²	83	39.1 Å²	39.1	54%	0.539	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-11	-178.1	-27	36.6	0	0	0	116.4	G255 W256	P111-G255 WeakPolarHBondContact O-CA 3.28Å; P111-W256 VanDerWaalsContact C-CD1 3.41Å; P111-W256 PolarHBondContact O-N 3.09Å; P111-W256 VanDerWaalsContact O-N 3.08Å
112	Y	96.7	Very high	95.6	Very high	68 Å²	68	37.7 Å²	37.7	27%	0.267	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	5.8	-176.7	-52.3	-85.3	0	0	0	113.2	N110 R145 G175 W176 D254	N110-Y112 PolarHBondContact O-N 2.83Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.46Å; N110-Y112 PolarHBondContact OD1-N 3.1Å; Y112-R145 VanDerWaalsContact CD1-NH1 3.29Å; Y112-R145 VanDerWaalsContact CZ-CZ 3.45Å; Y112-R145 PolarHBondContact OH-NH2 3.34Å; Y112-G175 WeakPolarHBondContact O-CA 3.38Å; Y112-W176 PolarHBondContact O-N 3.24Å; Y112-D254 WeakPolarHBondContact CE1-O 3.46Å
113	L	97.9	Very high	95.6	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	124.9	-177.7	-157	87.3	0	0	0	109.8	I109 N110 V148 A151 I173 C174	I109-L113 HydrophobicContact CB-CB 4.33Å; I109-L113 HydrophobicContact CB-CD2 4.15Å; I109-L113 WeakPolarHBondContact CB-O 3.49Å; I109-L113 HydrophobicContact CD1-CD2 3.75Å; I109-L113 HydrophobicContact CD1-CG 4.29Å; I109-L113 HydrophobicContact CG2-CD2 3.88Å; I109-L113 PolarHBondContact N-O 3.2Å; N110-L113 PolarHBondContact N-O 2.71Å; N110-L113 WeakPolarHBondContact ND2-CB 3.39Å; N110-L113 PolarHBondContact O-N 3.17Å; N110-L113 WeakPolarHBondContact OD1-CB 3.3Å; N110-L113 PolarHBondContact OD1-N 2.82Å; L113-V148 HydrophobicContact CD1-CB 4.31Å; L113-V148 HydrophobicContact CD1-CG1 4.01Å; L113-V148 HydrophobicContact CD1-CG2 4.09Å; L113-A151 HydrophobicContact CD1-CB 4.4Å; L113-A151 HydrophobicContact CD2-CB 3.8Å; L113-I173 HydrophobicContact CD1-CG2 3.9Å; L113-I173 HydrophobicContact CD2-CG2 4.01Å; L113-I173 HydrophobicContact CG-CG2 4.03Å; L113-C174 CarbonylContact C-O 3.49Å; L113-C174 VanDerWaalsContact CA-O 3.31Å; L113-C174 WeakPolarHBondContact CA-O 3.34Å
114	L	98.6	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.4	173.6	-66.3	177.1	0	0	0	109.4	V86 V106 E108 C174 Y249 M251 W256	V86-L114 HydrophobicContact CG2-CD1 4.5Å; V106-L114 HydrophobicContact CG1-CB 4.22Å; V106-L114 HydrophobicContact CG1-CD1 4.24Å; V106-L114 HydrophobicContact CG1-CD2 3.85Å; V106-L114 HydrophobicContact CG1-CG 4.32Å; E108-L114 HydrophobicContact CG-CD2 4.09Å; L114-C174 HydrophobicContact CB-CB 4.4Å; L114-C174 PolarHBondContact N-O 2.89Å; L114-C174 PolarHBondContact O-N 3.1Å; L114-Y249 HydrophobicContact CD1-CD1 4.01Å; L114-Y249 HydrophobicContact CD1-CG 4.05Å; L114-Y249 HydrophobicContact CD2-CD1 4.38Å; L114-M251 HydrophobicContact CB-CE 4.23Å; L114-M251 HydrophobicContact CD1-CE 3.97Å; L114-M251 HydrophobicContact CG-CE 3.7Å; L114-W256 HydrophobicContact CD1-CB 3.76Å; L114-W256 HydrophobicContact CD1-CG 3.99Å; L114-W256 HydrophobicContact CD2-CB 4.38Å; L114-W256 HydrophobicContact CD2-CD2 3.85Å; L114-W256 HydrophobicContact CD2-CG 3.68Å; L114-W256 HydrophobicContact CG-CB 4.07Å; L114-W256 HydrophobicContact CG-CD2 4.5Å; L114-W256 HydrophobicContact CG-CG 3.85Å
115	G	98.2	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150	167.5	0	0	0	0	0	110.8	V106 I107 E128 M172	V106-G115 CarbonylContact C-O 3.55Å; V106-G115 WeakPolarHBondContact CA-O 3.48Å; I107-G115 PolarHBondContact N-O 3.45Å; I107-G115 PolarHBondContact O-N 3.39Å; G115-E128 WeakPolarHBondContact CA-OE2 3.12Å; G115-M172 WeakPolarHBondContact CA-O 3.29Å
116	T	97.9	Very high	95.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139	179.3	64.4	0	0	0	0	111	V86 V88 K105 S171 M172	V86-T116 HydrophobicContact CG1-CG2 3.48Å; V86-T116 VanDerWaalsContact CG1-CG2 3.48Å; V88-T116 HydrophobicContact CG1-CG2 4.33Å; K105-T116 WeakPolarHBondContact O-CA 3.36Å; T116-S171 PolarHBondContact N-OG 2.87Å; T116-S171 VanDerWaalsContact O-CA 3.25Å; T116-S171 WeakPolarHBondContact O-CA 3.44Å; T116-S171 VanDerWaalsContact O-CB 3.28Å; T116-S171 WeakPolarHBondContact O-CB 3.39Å; T116-S171 PolarHBondContact O-OG 2.82Å; T116-M172 HydrophobicContact CG2-CB 4.2Å; T116-M172 HydrophobicContact CG2-CE 3.82Å; T116-M172 PolarHBondContact N-O 3.31Å; T116-M172 WeakPolarHBondContact OG1-CB 3.14Å; T116-M172 WeakPolarHBondContact OG1-CE 3.41Å; T116-M172 PolarHBondContact OG1-N 3.5Å
117	M	96	Very high	95.7	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.034	20%	0.197	C	C	.	.			trans	-95.6	113.3	178.6	175.7	167.6	75.5	0	0	110.8	M103 N104 K105 A121 C124 Q125	M103-M117 HydrophobicContact CE-CE 3.77Å; M103-M117 HydrophobicContact CG-CE 3.77Å; N104-M117 WeakPolarHBondContact O-CE 3.4Å; K105-M117 HydrophobicContact CB-CB 4.24Å; K105-M117 HydrophobicContact CB-CE 4.26Å; K105-M117 HydrophobicContact CG-CE 3.85Å; K105-M117 PolarHBondContact O-N 3.23Å; M117-A121 HydrophobicContact CE-CB 4.3Å; M117-A121 VanDerWaalsContact SD-CA 3.59Å; M117-A121 HydrophobicContact SD-CB 3.84Å; M117-C124 HydrophobicContact CB-CB 3.96Å; M117-C124 HydrophobicContact CG-CB 3.49Å; M117-C124 VanDerWaalsContact CG-CB 3.49Å; M117-C124 HydrophobicContact SD-CB 4.06Å; M117-Q125 HydrophobicContact SD-CG 3.97Å
118	S	93.9	Very high	95.8	Very high	7 Å²	7	35 Å²	35	5%	0.049	19%	0.189	C	C	.	.			trans	-140.8	137.4	165.5	170.1	0	0	0	0	109	C124 M169 G170 T200 G201	S118-C124 PolarHBondContact O-SG 3.05Å; S118-C124 VanDerWaalsContact O-SG 3.37Å; S118-M169 CarbonylContact O-C 3.41Å; S118-M169 WeakPolarHBondContact O-CA 3.45Å; S118-G170 WeakPolarHBondContact CB-O 3.15Å; S118-G170 PolarHBondContact O-N 3.45Å; S118-T200 WeakPolarHBondContact CB-OG1 2.86Å; S118-T200 PolarHBondContact OG-OG1 2.81Å; S118-G201 WeakPolarHBondContact OG-CA 3.47Å; S118-G201 PolarHBondContact OG-N 3.41Å
119	G	91.8	Very high	95.8	Very high	14 Å²	14	40.2 Å²	40.2	14%	0.144	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	108	-151.6	-167.5	0	0	0	0	0	110.9	H71 A121	H71-G119 WeakPolarHBondContact CD2-CA 3.43Å; H71-G119 PolarHBondContact CD2-O 2.96Å; G119-A121 PolarHBondContact O-N 3.46Å
120	C	91.9	Very high	95.9	Very high	15 Å²	15	41.5 Å²	41.5	10%	0.101	21%	0.212	C	C	.	.			trans	-66.6	122.8	176.8	174.7	0	0	0	0	109.5	M69 H71 A122 D123 C124 S168	M69-C120 HydrophobicContact SD-CB 3.94Å; H71-C120 PolarHBondContact CD2-N 3.44Å; H71-C120 PolarHBondContact NE2-N 3.18Å; C120-A122 PolarHBondContact O-N 2.93Å; C120-D123 HydrophobicContact CB-CB 3.98Å; C120-D123 VanDerWaalsContact CB-OD2 3.31Å; C120-D123 WeakPolarHBondContact CB-OD2 3.38Å; C120-D123 PolarHBondContact O-N 2.98Å; C120-C124 PolarHBondContact O-N 3.24Å; C120-C124 VanDerWaalsContact O-N 3.11Å; C120-C124 PolarHBondContact O-SG 3.18Å; C120-S168 PolarHBondContact N-O 3.48Å
121	A	91.5	Very high	96	Very high	42 Å²	42	39.4 Å²	39.4	35%	0.347	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-34.4	-176.6	0	0	0	0	0	112.6	M117 G119 Q125	M117-A121 HydrophobicContact CE-CB 4.3Å; M117-A121 VanDerWaalsContact SD-CA 3.59Å; M117-A121 HydrophobicContact SD-CB 3.84Å; G119-A121 PolarHBondContact O-N 3.46Å; A121-Q125 WeakPolarHBondContact O-CB 3.4Å; A121-Q125 VanDerWaalsContact O-CG 3.25Å; A121-Q125 WeakPolarHBondContact O-CG 3.27Å; A121-Q125 PolarHBondContact O-N 3.35Å; A121-Q125 PolarHBondContact O-NE2 3.28Å
122	A	92.6	Very high	96.1	Very high	64 Å²	64	36.7 Å²	36.7	53%	0.529	19%	0.185	S	C	.	.	H	α-helix	trans	-69.6	-43.8	178.2	0	0	0	0	0	111.7	C120 Q125 Y126	C120-A122 PolarHBondContact O-N 2.93Å; A122-Q125 PolarHBondContact O-N 2.83Å; A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.3Å; A122-Y126 PolarHBondContact O-N 2.92Å
123	D	94.6	Very high	96.2	Very high	30 Å²	30	39.6 Å²	39.6	16%	0.16	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-50.4	-179.9	-66	-15.6	0	0	0	110.7	C120 Q125 Y126 W127 S168	C120-D123 HydrophobicContact CB-CB 3.98Å; C120-D123 VanDerWaalsContact CB-OD2 3.31Å; C120-D123 WeakPolarHBondContact CB-OD2 3.38Å; C120-D123 PolarHBondContact O-N 2.98Å; D123-Q125 PolarHBondContact O-N 3.12Å; D123-Y126 PolarHBondContact O-N 3.43Å; D123-W127 WeakPolarHBondContact O-CB 3.43Å; D123-W127 PolarHBondContact O-N 2.82Å; D123-S168 PolarHBondContact OD2-N 3.2Å
124	C	95.6	Very high	96.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-49.4	179.3	-59.4	0	0	0	0	111.2	M117 S118 C120 Y126 E128 M169	M117-C124 HydrophobicContact CB-CB 3.96Å; M117-C124 HydrophobicContact CG-CB 3.49Å; M117-C124 VanDerWaalsContact CG-CB 3.49Å; M117-C124 HydrophobicContact SD-CB 4.06Å; S118-C124 PolarHBondContact O-SG 3.05Å; S118-C124 VanDerWaalsContact O-SG 3.37Å; C120-C124 PolarHBondContact O-N 3.24Å; C120-C124 VanDerWaalsContact O-N 3.11Å; C120-C124 PolarHBondContact O-SG 3.18Å; C124-Y126 PolarHBondContact O-N 3.24Å; C124-E128 VanDerWaalsContact O-CB 3.25Å; C124-E128 WeakPolarHBondContact O-CB 3.47Å; C124-E128 WeakPolarHBondContact O-CG 3.45Å; C124-E128 PolarHBondContact O-N 2.95Å; C124-M169 HydrophobicContact CB-CG 4.39Å; C124-M169 WeakPolarHBondContact SG-CG 3.49Å
125	Q	96.1	Very high	96.2	Very high	89 Å²	89	42.1 Å²	42.1	42%	0.416	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-44	179.6	-77.7	175.3	57.9	0	0	112.7	I107 M117 A121 A122 D123 R129	I107-Q125 HydrophobicContact CD1-CG 4.19Å; M117-Q125 HydrophobicContact SD-CG 3.97Å; A121-Q125 WeakPolarHBondContact O-CB 3.4Å; A121-Q125 VanDerWaalsContact O-CG 3.25Å; A121-Q125 WeakPolarHBondContact O-CG 3.27Å; A121-Q125 PolarHBondContact O-N 3.35Å; A121-Q125 PolarHBondContact O-NE2 3.28Å; A122-Q125 PolarHBondContact O-N 2.83Å; D123-Q125 PolarHBondContact O-N 3.12Å; Q125-R129 WeakPolarHBondContact O-CB 3.44Å; Q125-R129 PolarHBondContact O-N 3.03Å; Q125-R129 VanDerWaalsContact O-N 3.11Å
126	Y	97.6	Very high	96.1	Very high	143 Å²	143	49.1 Å²	49.1	56%	0.561	24%	0.238	S	C	*	.	H	α-helix	trans	-66.4	-52.2	-178.6	178.2	-94.8	0	0	0	111.3	A122 D123 C124 R129 L130	A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.3Å; A122-Y126 PolarHBondContact O-N 2.92Å; D123-Y126 PolarHBondContact O-N 3.43Å; C124-Y126 PolarHBondContact O-N 3.24Å; Y126-R129 PolarHBondContact O-N 2.93Å; Y126-L130 WeakPolarHBondContact O-CB 3.49Å; Y126-L130 PolarHBondContact O-N 2.88Å
127	W	97.8	Very high	96.2	Very high	19 Å²	19	51.6 Å²	51.6	7%	0.072	25%	0.251	C	S	.	.	H	α-helix	trans	-72	-35.9	-173.6	-72.3	114.5	0	0	0	113	D123 L130 L131 L155 M158 M159 Y162 L167	D123-W127 WeakPolarHBondContact O-CB 3.43Å; D123-W127 PolarHBondContact O-N 2.82Å; W127-L130 HydrophobicContact CE3-CD2 3.62Å; W127-L130 HydrophobicContact CZ3-CD2 3.43Å; W127-L130 VanDerWaalsContact CZ3-CD2 3.43Å; W127-L130 PolarHBondContact O-N 2.77Å; W127-L131 WeakPolarHBondContact O-CB 3.37Å; W127-L131 PolarHBondContact O-N 3.22Å; W127-L155 HydrophobicContact CB-CD1 4.11Å; W127-M158 HydrophobicContact CE3-CB 3.93Å; W127-M158 HydrophobicContact CE3-CG 4.38Å; W127-M158 HydrophobicContact CE3-SD 4.12Å; W127-M158 HydrophobicContact CZ3-CB 3.85Å; W127-M158 HydrophobicContact CZ3-CG 4.21Å; W127-M158 HydrophobicContact CZ3-SD 4.38Å; W127-M159 HydrophobicContact CB-CE 3.87Å; W127-M159 HydrophobicContact CD2-CE 3.34Å; W127-M159 HydrophobicContact CE3-CE 3.86Å; W127-M159 HydrophobicContact CG-CE 3.31Å; W127-M159 HydrophobicContact CZ2-CE 4.38Å; W127-Y162 AromaticContact CH2-CD2 3.74Å; W127-Y162 HydrophobicContact CH2-CD2 3.74Å; W127-Y162 AromaticContact CH2-CE2 3.42Å; W127-Y162 HydrophobicContact CH2-CE2 3.42Å; W127-Y162 VanDerWaalsContact CH2-CE2 3.42Å; W127-Y162 AromaticContact CH2-CZ 3.97Å; W127-Y162 AromaticContact CZ2-CD2 3.8Å; W127-Y162 HydrophobicContact CZ2-CD2 3.8Å; W127-Y162 AromaticContact CZ2-CE2 3.81Å; W127-Y162 HydrophobicContact CZ2-CE2 3.81Å; W127-Y162 HydrophobicContact CZ2-CG 4.19Å; W127-L167 HydrophobicContact CZ2-CD1 4.45Å
128	E	97.8	Very high	96.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.2	-31.7	174.7	-66.8	-173.3	-147.5	0	0	112.3	I107 G115 C124 L131 A132 S171	I107-E128 HydrophobicContact CB-CB 4.47Å; I107-E128 WeakPolarHBondContact CB-OE2 3.31Å; I107-E128 HydrophobicContact CD1-CB 3.85Å; I107-E128 HydrophobicContact CD1-CG 4.23Å; I107-E128 WeakPolarHBondContact CD1-OE2 3.21Å; I107-E128 HydrophobicContact CG2-CB 4.09Å; G115-E128 WeakPolarHBondContact CA-OE2 3.12Å; C124-E128 VanDerWaalsContact O-CB 3.25Å; C124-E128 WeakPolarHBondContact O-CB 3.47Å; C124-E128 WeakPolarHBondContact O-CG 3.45Å; C124-E128 PolarHBondContact O-N 2.95Å; E128-L131 WeakPolarHBondContact O-CB 3.19Å; E128-L131 PolarHBondContact O-N 3.43Å; E128-A132 PolarHBondContact O-N 3.13Å; E128-S171 VanDerWaalsContact OE1-CB 3.26Å; E128-S171 WeakPolarHBondContact OE1-CB 3.41Å; E128-S171 PolarHBondContact OE1-OG 3.5Å
129	R	97.9	Very high	96.4	Very high	201 Å²	201	59.8 Å²	59.8	76%	0.758	28%	0.281	S	S	*	.	H	α-helix	trans	-68	-37	170.1	-175	174.2	-177.6	150.4	1.3	111.9	Q125 Y126 L131 A132 K133	Q125-R129 WeakPolarHBondContact O-CB 3.44Å; Q125-R129 PolarHBondContact O-N 3.03Å; Q125-R129 VanDerWaalsContact O-N 3.11Å; Y126-R129 PolarHBondContact O-N 2.93Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-A132 WeakPolarHBondContact O-CB 3.28Å; R129-A132 PolarHBondContact O-N 2.9Å; R129-K133 PolarHBondContact O-N 2.89Å; R129-K133 VanDerWaalsContact O-N 3.1Å
130	L	98.2	Very high	96.7	Very high	41 Å²	41	64.7 Å²	64.7	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-42.1	172.3	-175.5	65.2	0	0	0	110.9	Y126 W127 A132 K133 E134 M158	Y126-L130 WeakPolarHBondContact O-CB 3.49Å; Y126-L130 PolarHBondContact O-N 2.88Å; W127-L130 HydrophobicContact CE3-CD2 3.62Å; W127-L130 HydrophobicContact CZ3-CD2 3.43Å; W127-L130 VanDerWaalsContact CZ3-CD2 3.43Å; W127-L130 PolarHBondContact O-N 2.77Å; L130-A132 VanDerWaalsContact C-N 3.32Å; L130-A132 PolarHBondContact O-N 3.21Å; L130-K133 HydrophobicContact CD1-CD 4.21Å; L130-K133 WeakPolarHBondContact O-CB 3.36Å; L130-K133 PolarHBondContact O-N 2.87Å; L130-E134 PolarHBondContact O-N 2.86Å; L130-M158 HydrophobicContact CD2-CE 4.17Å; L130-M158 HydrophobicContact CD2-SD 4.09Å; L130-M158 HydrophobicContact CG-CE 4.16Å; L130-M158 HydrophobicContact CG-SD 4.43Å
131	L	98.1	Very high	97	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.7	-45.1	172.3	177.6	64.6	0	0	0	111.1	I109 W127 E128 R129 K133 E134 C135 A151 L154 L155 I173	I109-L131 HydrophobicContact CD1-CD2 3.94Å; W127-L131 WeakPolarHBondContact O-CB 3.37Å; W127-L131 PolarHBondContact O-N 3.22Å; E128-L131 WeakPolarHBondContact O-CB 3.19Å; E128-L131 PolarHBondContact O-N 3.43Å; R129-L131 VanDerWaalsContact C-N 3.35Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.92Å; L131-E134 PolarHBondContact O-N 3.07Å; L131-E134 VanDerWaalsContact O-N 3.12Å; L131-C135 WeakPolarHBondContact O-CB 3.42Å; L131-C135 PolarHBondContact O-N 3.5Å; L131-C135 PolarHBondContact O-SG 2.77Å; L131-A151 HydrophobicContact CD1-CB 4.39Å; L131-A151 WeakPolarHBondContact CD1-O 3.44Å; L131-L154 HydrophobicContact CD1-CB 4.22Å; L131-L154 HydrophobicContact CD1-CD2 4.03Å; L131-L154 HydrophobicContact CD1-CG 4.3Å; L131-L155 HydrophobicContact CD1-CB 4.46Å; L131-L155 HydrophobicContact CD2-CB 4.15Å; L131-L155 HydrophobicContact CD2-CD2 4.22Å; L131-I173 HydrophobicContact CD2-CD1 4.04Å
132	A	98	Very high	97.4	Very high	25 Å²	25	75 Å²	75	21%	0.207	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-44.5	176.1	0	0	0	0	0	112.3	I109 E128 R129 L130 C135 R136	I109-A132 HydrophobicContact CB-CB 4.47Å; I109-A132 VanDerWaalsContact CG2-CA 3.48Å; I109-A132 HydrophobicContact CG2-CB 3.62Å; E128-A132 PolarHBondContact O-N 3.13Å; R129-A132 WeakPolarHBondContact O-CB 3.28Å; R129-A132 PolarHBondContact O-N 2.9Å; L130-A132 VanDerWaalsContact C-N 3.32Å; L130-A132 PolarHBondContact O-N 3.21Å; A132-C135 PolarHBondContact O-N 3.08Å; A132-R136 WeakPolarHBondContact O-CB 3.49Å; A132-R136 PolarHBondContact O-N 3.36Å
133	K	98.3	Very high	97.6	Very high	130 Å²	130	74.9 Å²	74.9	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-58.8	-49.2	174.7	171	-170.8	163.1	-166.4	0	111.2	R129 L130 L131 R136 L137	R129-K133 PolarHBondContact O-N 2.89Å; R129-K133 VanDerWaalsContact O-N 3.1Å; L130-K133 HydrophobicContact CD1-CD 4.21Å; L130-K133 WeakPolarHBondContact O-CB 3.36Å; L130-K133 PolarHBondContact O-N 2.87Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.92Å; K133-R136 PolarHBondContact O-N 3.05Å; K133-L137 PolarHBondContact O-N 2.97Å
134	E	98.3	Very high	97.7	Very high	51 Å²	51	77.5 Å²	77.5	24%	0.238	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-38.2	-179.1	-65.5	-54.4	136	0	0	112.4	L130 L131 R136 L137 Y138 L154 M158	L130-E134 PolarHBondContact O-N 2.86Å; L131-E134 PolarHBondContact O-N 3.07Å; L131-E134 VanDerWaalsContact O-N 3.12Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 2.9Å; E134-L137 PolarHBondContact O-N 3.45Å; E134-Y138 WeakPolarHBondContact O-CB 3.2Å; E134-Y138 PolarHBondContact O-N 3.28Å; E134-L154 HydrophobicContact CB-CD2 3.46Å; E134-L154 VanDerWaalsContact CB-CD2 3.46Å; E134-L154 HydrophobicContact CG-CD2 4.07Å; E134-M158 HydrophobicContact CG-CE 3.74Å
135	C	97.8	Very high	97.6	Very high	5 Å²	5	83.6 Å²	83.6	3%	0.034	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-40.6	172.6	-66	0	0	0	0	111.6	L131 A132 Y138 Y139 I146	L131-C135 WeakPolarHBondContact O-CB 3.42Å; L131-C135 PolarHBondContact O-N 3.5Å; L131-C135 PolarHBondContact O-SG 2.77Å; A132-C135 PolarHBondContact O-N 3.08Å; C135-Y138 PolarHBondContact O-N 3.24Å; C135-Y139 PolarHBondContact O-N 2.74Å; C135-Y139 VanDerWaalsContact O-N 3.11Å; C135-I146 HydrophobicContact CB-CG2 3.94Å
136	R	97.3	Very high	97.7	Very high	147 Å²	147	80.6 Å²	80.6	56%	0.555	36%	0.364	S	S	*	.	H	α-helix	trans	-67.4	-41.2	176.3	-174.8	59.1	173.6	163.1	-0.8	111.7	A132 K133 E134 Y138 Y139 L140	A132-R136 WeakPolarHBondContact O-CB 3.49Å; A132-R136 PolarHBondContact O-N 3.36Å; K133-R136 PolarHBondContact O-N 3.05Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 2.9Å; R136-Y138 VanDerWaalsContact C-N 3.35Å; R136-Y139 WeakPolarHBondContact O-CB 3.41Å; R136-Y139 PolarHBondContact O-N 3.35Å; R136-L140 WeakPolarHBondContact O-CG 3.32Å; R136-L140 PolarHBondContact O-N 2.74Å; R136-L140 VanDerWaalsContact O-N 3.1Å
137	L	98.3	Very high	97.7	Very high	53 Å²	53	75.6 Å²	75.6	28%	0.277	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-39.9	176.2	-177.5	58.8	0	0	0	111.7	K133 E134 Y139 L140 R141	K133-L137 PolarHBondContact O-N 2.97Å; E134-L137 PolarHBondContact O-N 3.45Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; L137-Y139 PolarHBondContact O-N 3.31Å; L137-L140 PolarHBondContact O-N 2.96Å; L137-R141 HydrophobicContact CD1-CG 4.44Å; L137-R141 WeakPolarHBondContact O-CG 3.37Å; L137-R141 PolarHBondContact O-N 3.15Å
138	Y	98.4	Very high	97.8	Very high	88 Å²	88	74.8 Å²	74.8	35%	0.345	35%	0.348	S	S	.	.	H	α-helix	trans	-57.6	-45.4	173	-178.2	-85.7	0	0	0	111.4	E134 C135 R136 L140 R141 N142 I146	E134-Y138 WeakPolarHBondContact O-CB 3.2Å; E134-Y138 PolarHBondContact O-N 3.28Å; C135-Y138 PolarHBondContact O-N 3.24Å; R136-Y138 VanDerWaalsContact C-N 3.35Å; Y138-L140 PolarHBondContact O-N 3.33Å; Y138-R141 PolarHBondContact O-N 2.98Å; Y138-N142 VanDerWaalsContact CD2-ND2 3.32Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.42Å; Y138-N142 HydrophobicContact CE1-CB 4.32Å; Y138-N142 VanDerWaalsContact CE2-ND2 3.3Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.47Å; Y138-N142 PolarHBondContact O-N 2.94Å; Y138-N142 PolarHBondContact O-ND2 2.98Å; Y138-I146 HydrophobicContact CD1-CB 3.69Å; Y138-I146 HydrophobicContact CD1-CG1 4.14Å; Y138-I146 HydrophobicContact CE1-CB 4.07Å; Y138-I146 HydrophobicContact CE1-CG1 4.33Å; Y138-I146 HydrophobicContact CG-CB 4.19Å; Y138-I146 HydrophobicContact CG-CD1 4.28Å; Y138-I146 HydrophobicContact CG-CG1 4.28Å
139	Y	97.4	Very high	97.8	Very high	98 Å²	98	76 Å²	76	38%	0.384	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-44.6	177	-179.9	-94	0	0	0	112.3	C135 R136 L137 R141 G143 E144 R145	C135-Y139 PolarHBondContact O-N 2.74Å; C135-Y139 VanDerWaalsContact O-N 3.11Å; R136-Y139 WeakPolarHBondContact O-CB 3.41Å; R136-Y139 PolarHBondContact O-N 3.35Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; L137-Y139 PolarHBondContact O-N 3.31Å; Y139-R141 VanDerWaalsContact C-N 3.32Å; Y139-R141 PolarHBondContact O-N 3.12Å; Y139-G143 WeakPolarHBondContact O-CA 3.41Å; Y139-G143 PolarHBondContact O-N 3.45Å; Y139-E144 WeakPolarHBondContact CA-O 3.49Å; Y139-R145 HydrophobicContact CD2-CG 4.17Å; Y139-R145 HydrophobicContact CE2-CG 4.19Å
140	L	98.1	Very high	97.8	Very high	118 Å²	118	68.2 Å²	68.2	62%	0.618	34%	0.335	S	S	*	.	H	α-helix	trans	-65.9	-33.8	179.2	-67.2	173.9	0	0	0	113	R136 L137 Y138	R136-L140 WeakPolarHBondContact O-CG 3.32Å; R136-L140 PolarHBondContact O-N 2.74Å; R136-L140 VanDerWaalsContact O-N 3.1Å; L137-L140 PolarHBondContact O-N 2.96Å; Y138-L140 PolarHBondContact O-N 3.33Å
141	R	98.3	Very high	97.8	Very high	179 Å²	179	66.3 Å²	66.3	68%	0.675	33%	0.325	S	S	*	.	H	α-helix	trans	-75.9	-40.8	179.6	-74.4	172.9	171.3	164.8	-2.9	113.1	L137 Y138 Y139	L137-R141 HydrophobicContact CD1-CG 4.44Å; L137-R141 WeakPolarHBondContact O-CG 3.37Å; L137-R141 PolarHBondContact O-N 3.15Å; Y138-R141 PolarHBondContact O-N 2.98Å; Y139-R141 VanDerWaalsContact C-N 3.32Å; Y139-R141 PolarHBondContact O-N 3.12Å
142	N	98.1	Very high	97.8	Very high	93 Å²	93	66.3 Å²	66.3	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-104	-13.9	-169.9	-58.7	-75.5	0	0	0	113.4	Y138 E144	Y138-N142 VanDerWaalsContact CD2-ND2 3.32Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.42Å; Y138-N142 HydrophobicContact CE1-CB 4.32Å; Y138-N142 VanDerWaalsContact CE2-ND2 3.3Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.47Å; Y138-N142 PolarHBondContact O-N 2.94Å; Y138-N142 PolarHBondContact O-ND2 2.98Å; N142-E144 PolarHBondContact O-N 3.35Å
143	G	97.1	Very high	97.8	Very high	62 Å²	62	69.9 Å²	69.9	64%	0.639	34%	0.336	S	S	*	.	S	Bend	trans	67.3	9.6	-171.4	0	0	0	0	0	113.8	Y139	Y139-G143 WeakPolarHBondContact O-CA 3.41Å; Y139-G143 PolarHBondContact O-N 3.45Å
144	E	96.3	Very high	97.8	Very high	85 Å²	85	66.3 Å²	66.3	40%	0.397	32%	0.323	S	S	.	.	S	Bend	trans	-130	147.8	-177.4	-163	-173.3	135.8	0	0	110.9	Y139 N142 K178	Y139-E144 WeakPolarHBondContact CA-O 3.49Å; N142-E144 PolarHBondContact O-N 3.35Å; E144-K178 WeakPolarHBondContact OE1-CE 3.45Å; E144-K178 IonicContact OE1-NZ 2.91Å; E144-K178 PolarHBondContact OE1-NZ 2.82Å; E144-K178 IonicContact OE2-NZ 3.72Å; E144-K178 PolarHBondContact OE2-NZ 3.2Å
145	R	95.4	Very high	97.8	Very high	129 Å²	129	63.9 Å²	63.9	49%	0.487	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-66.9	144.5	174.6	-54.6	-179.7	-155.2	169.5	3.4	110.4	Y112 Y139	Y112-R145 VanDerWaalsContact CD1-NH1 3.29Å; Y112-R145 VanDerWaalsContact CZ-CZ 3.45Å; Y112-R145 PolarHBondContact OH-NH2 3.34Å; Y139-R145 HydrophobicContact CD2-CG 4.17Å; Y139-R145 HydrophobicContact CE2-CG 4.19Å
146	I	97.6	Very high	97.8	Very high	25 Å²	25	63.7 Å²	63.7	13%	0.128	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-69.3	144.4	174.4	-164.8	168.9	0	0	0	110.6	C135 Y138 A150 A151	C135-I146 HydrophobicContact CB-CG2 3.94Å; Y138-I146 HydrophobicContact CD1-CB 3.69Å; Y138-I146 HydrophobicContact CD1-CG1 4.14Å; Y138-I146 HydrophobicContact CE1-CB 4.07Å; Y138-I146 HydrophobicContact CE1-CG1 4.33Å; Y138-I146 HydrophobicContact CG-CB 4.19Å; Y138-I146 HydrophobicContact CG-CD1 4.28Å; Y138-I146 HydrophobicContact CG-CG1 4.28Å; I146-A150 HydrophobicContact CD1-CB 4.08Å; I146-A150 HydrophobicContact CG1-CB 3.71Å; I146-A151 HydrophobicContact CD1-CB 4.25Å; I146-A151 HydrophobicContact CG2-CB 4.32Å
147	S	98.1	Very high	97.9	Very high	38 Å²	38	59.9 Å²	59.9	27%	0.266	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-74.1	153.8	172.1	71	0	0	0	0	111.5	S149 A150 A151 D177	S147-S149 PolarHBondContact O-N 2.97Å; S147-S149 PolarHBondContact OG-OG 2.96Å; S147-A150 PolarHBondContact O-N 2.92Å; S147-A150 VanDerWaalsContact O-N 3.13Å; S147-A150 VanDerWaalsContact OG-CB 3.29Å; S147-A150 WeakPolarHBondContact OG-CB 3.17Å; S147-A150 PolarHBondContact OG-N 3.2Å; S147-A150 VanDerWaalsContact OG-N 3.09Å; S147-A151 PolarHBondContact O-N 2.84Å; S147-D177 WeakPolarHBondContact CB-OD2 3.28Å
148	V	98.3	Very high	97.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-35	177.3	-168.1	0	0	0	0	110	L113 S152 I173 D177 Y184	L113-V148 HydrophobicContact CD1-CB 4.31Å; L113-V148 HydrophobicContact CD1-CG1 4.01Å; L113-V148 HydrophobicContact CD1-CG2 4.09Å; V148-S152 WeakPolarHBondContact O-CB 3.27Å; V148-S152 PolarHBondContact O-N 3.29Å; V148-S152 PolarHBondContact O-OG 2.82Å; V148-I173 HydrophobicContact CG1-CG2 4.09Å; V148-D177 HydrophobicContact CG2-CB 4.09Å; V148-D177 PolarHBondContact N-OD2 3.04Å; V148-Y184 HydrophobicContact CB-CD2 4.49Å; V148-Y184 HydrophobicContact CB-CE2 4.36Å; V148-Y184 HydrophobicContact CG1-CD2 3.84Å; V148-Y184 HydrophobicContact CG1-CE2 4.18Å
149	S	98.1	Very high	97.7	Very high	27 Å²	27	54 Å²	54	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-41	176.1	72.8	0	0	0	0	112.8	S147 S152 K153 Y184 R192	S147-S149 PolarHBondContact O-N 2.97Å; S147-S149 PolarHBondContact OG-OG 2.96Å; S149-S152 PolarHBondContact O-OG 3.32Å; S149-K153 WeakPolarHBondContact O-CB 3.42Å; S149-K153 PolarHBondContact O-N 3.11Å; S149-K153 VanDerWaalsContact O-N 3.13Å; S149-Y184 WeakPolarHBondContact CB-OH 3.25Å; S149-R192 VanDerWaalsContact CA-NH2 3.35Å; S149-R192 PolarHBondContact O-NH2 3.34Å
150	A	98.3	Very high	97.7	Very high	37 Å²	37	53 Å²	53	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-71.5	-42.6	177.5	0	0	0	0	0	111.8	I146 S147 K153 L154	I146-A150 HydrophobicContact CD1-CB 4.08Å; I146-A150 HydrophobicContact CG1-CB 3.71Å; S147-A150 PolarHBondContact O-N 2.92Å; S147-A150 VanDerWaalsContact O-N 3.13Å; S147-A150 VanDerWaalsContact OG-CB 3.29Å; S147-A150 WeakPolarHBondContact OG-CB 3.17Å; S147-A150 PolarHBondContact OG-N 3.2Å; S147-A150 VanDerWaalsContact OG-N 3.09Å; A150-K153 PolarHBondContact O-N 3.26Å; A150-L154 WeakPolarHBondContact O-CB 3.38Å; A150-L154 PolarHBondContact O-N 2.96Å
151	A	98.4	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-48.8	177.8	0	0	0	0	0	111.9	L113 L131 I146 S147 K153 L154 L155	L113-A151 HydrophobicContact CD1-CB 4.4Å; L113-A151 HydrophobicContact CD2-CB 3.8Å; L131-A151 HydrophobicContact CD1-CB 4.39Å; L131-A151 WeakPolarHBondContact CD1-O 3.44Å; I146-A151 HydrophobicContact CD1-CB 4.25Å; I146-A151 HydrophobicContact CG2-CB 4.32Å; S147-A151 PolarHBondContact O-N 2.84Å; A151-K153 VanDerWaalsContact C-N 3.3Å; A151-K153 PolarHBondContact O-N 2.89Å; A151-L154 PolarHBondContact O-N 3.37Å; A151-L155 PolarHBondContact O-N 3.21Å; A151-L155 VanDerWaalsContact O-N 3.08Å
152	S	98.3	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-35.9	175.8	54	0	0	0	0	112.8	V148 S149 S156 R192	V148-S152 WeakPolarHBondContact O-CB 3.27Å; V148-S152 PolarHBondContact O-N 3.29Å; V148-S152 PolarHBondContact O-OG 2.82Å; S149-S152 PolarHBondContact O-OG 3.32Å; S152-S156 PolarHBondContact O-N 2.81Å; S152-R192 PolarHBondContact OG-NE 2.87Å; S152-R192 PolarHBondContact OG-NH2 3.44Å
153	K	98.5	Very high	97.1	Very high	101 Å²	101	53.2 Å²	53.2	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-68.4	-40.5	177	-172.3	63.6	-175.9	166.2	0	111.5	S149 A150 A151 S156 N157	S149-K153 WeakPolarHBondContact O-CB 3.42Å; S149-K153 PolarHBondContact O-N 3.11Å; S149-K153 VanDerWaalsContact O-N 3.13Å; A150-K153 PolarHBondContact O-N 3.26Å; A151-K153 VanDerWaalsContact C-N 3.3Å; A151-K153 PolarHBondContact O-N 2.89Å; K153-S156 WeakPolarHBondContact CA-OG 3.29Å; K153-S156 PolarHBondContact O-N 3.11Å; K153-S156 PolarHBondContact O-OG 2.93Å; K153-N157 WeakPolarHBondContact CE-OD1 3.17Å; K153-N157 VanDerWaalsContact O-CG 3.28Å; K153-N157 PolarHBondContact O-N 3.35Å; K153-N157 PolarHBondContact O-OD1 3.1Å
154	L	98.3	Very high	96.6	Very high	55 Å²	55	53.8 Å²	53.8	29%	0.288	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-46.1	176.6	-176.4	61.5	0	0	0	111.4	L131 E134 A150 A151 S156 N157 M158	L131-L154 HydrophobicContact CD1-CB 4.22Å; L131-L154 HydrophobicContact CD1-CD2 4.03Å; L131-L154 HydrophobicContact CD1-CG 4.3Å; E134-L154 HydrophobicContact CB-CD2 3.46Å; E134-L154 VanDerWaalsContact CB-CD2 3.46Å; E134-L154 HydrophobicContact CG-CD2 4.07Å; A150-L154 WeakPolarHBondContact O-CB 3.38Å; A150-L154 PolarHBondContact O-N 2.96Å; A151-L154 PolarHBondContact O-N 3.37Å; L154-S156 PolarHBondContact O-N 2.87Å; L154-N157 PolarHBondContact O-N 3.11Å; L154-M158 HydrophobicContact CD1-CE 4.1Å; L154-M158 HydrophobicContact CD2-CE 4.08Å; L154-M158 HydrophobicContact CG-CE 3.76Å; L154-M158 WeakPolarHBondContact O-CG 3.48Å; L154-M158 PolarHBondContact O-N 3.35Å
155	L	98.1	Very high	96.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-45.3	175.5	-173.7	60.7	0	0	0	111.9	W127 L131 A151 N157 M158 M159 M169 I173 V186	W127-L155 HydrophobicContact CB-CD1 4.11Å; L131-L155 HydrophobicContact CD1-CB 4.46Å; L131-L155 HydrophobicContact CD2-CB 4.15Å; L131-L155 HydrophobicContact CD2-CD2 4.22Å; A151-L155 PolarHBondContact O-N 3.21Å; A151-L155 VanDerWaalsContact O-N 3.08Å; L155-N157 VanDerWaalsContact C-N 3.27Å; L155-N157 PolarHBondContact O-N 2.89Å; L155-M158 HydrophobicContact CD1-SD 4.49Å; L155-M158 WeakPolarHBondContact O-CB 3.31Å; L155-M158 PolarHBondContact O-N 3.36Å; L155-M158 VanDerWaalsContact O-N 3.1Å; L155-M159 HydrophobicContact CD1-CE 4.47Å; L155-M159 WeakPolarHBondContact O-CG 3.46Å; L155-M159 PolarHBondContact O-N 3.47Å; L155-M169 HydrophobicContact CD1-CE 3.8Å; L155-M169 HydrophobicContact CD2-CE 3.83Å; L155-M169 HydrophobicContact CG-CE 3.87Å; L155-I173 HydrophobicContact CD2-CD1 3.83Å; L155-I173 HydrophobicContact CD2-CG1 4.07Å; L155-V186 HydrophobicContact CB-CG1 4.45Å; L155-V186 HydrophobicContact CD2-CB 4.28Å; L155-V186 HydrophobicContact CD2-CG1 4.2Å; L155-V186 HydrophobicContact CG-CG1 4.08Å
156	S	98.1	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-36	177.6	70.5	0	0	0	0	112.6	S152 K153 L154 M159 L160	S152-S156 PolarHBondContact O-N 2.81Å; K153-S156 WeakPolarHBondContact CA-OG 3.29Å; K153-S156 PolarHBondContact O-N 3.11Å; K153-S156 PolarHBondContact O-OG 2.93Å; L154-S156 PolarHBondContact O-N 2.87Å; S156-M159 PolarHBondContact O-N 2.9Å; S156-L160 WeakPolarHBondContact O-CG 3.45Å; S156-L160 PolarHBondContact O-N 2.73Å
157	N	98.2	Very high	95.7	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	28%	0.281	S	S	.	.	H	α-helix	trans	-68.9	-35.9	176.2	-70.5	-8.1	0	0	0	111.7	K153 L154 L155 Q161	K153-N157 WeakPolarHBondContact CE-OD1 3.17Å; K153-N157 VanDerWaalsContact O-CG 3.28Å; K153-N157 PolarHBondContact O-N 3.35Å; K153-N157 PolarHBondContact O-OD1 3.1Å; L154-N157 PolarHBondContact O-N 3.11Å; L155-N157 VanDerWaalsContact C-N 3.27Å; L155-N157 PolarHBondContact O-N 2.89Å; N157-Q161 WeakPolarHBondContact O-CG 3.28Å; N157-Q161 PolarHBondContact O-N 2.74Å
158	M	97.3	Very high	95.4	Very high	18 Å²	18	51 Å²	51	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-44.5	172.1	-66.9	167	178.5	0	0	110.6	W127 L130 E134 L154 L155 L160 Q161	W127-M158 HydrophobicContact CE3-CB 3.93Å; W127-M158 HydrophobicContact CE3-CG 4.38Å; W127-M158 HydrophobicContact CE3-SD 4.12Å; W127-M158 HydrophobicContact CZ3-CB 3.85Å; W127-M158 HydrophobicContact CZ3-CG 4.21Å; W127-M158 HydrophobicContact CZ3-SD 4.38Å; L130-M158 HydrophobicContact CD2-CE 4.17Å; L130-M158 HydrophobicContact CD2-SD 4.09Å; L130-M158 HydrophobicContact CG-CE 4.16Å; L130-M158 HydrophobicContact CG-SD 4.43Å; E134-M158 HydrophobicContact CG-CE 3.74Å; L154-M158 HydrophobicContact CD1-CE 4.1Å; L154-M158 HydrophobicContact CD2-CE 4.08Å; L154-M158 HydrophobicContact CG-CE 3.76Å; L154-M158 WeakPolarHBondContact O-CG 3.48Å; L154-M158 PolarHBondContact O-N 3.35Å; L155-M158 HydrophobicContact CD1-SD 4.49Å; L155-M158 WeakPolarHBondContact O-CB 3.31Å; L155-M158 PolarHBondContact O-N 3.36Å; L155-M158 VanDerWaalsContact O-N 3.1Å; M158-L160 PolarHBondContact O-N 2.62Å; M158-Q161 PolarHBondContact O-N 2.86Å
159	M	96.4	Very high	95.1	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-42.7	178.8	-66.8	-55.9	96.1	0	0	112.3	W127 L155 S156 Q161 Y162 R163 L167 M169	W127-M159 HydrophobicContact CB-CE 3.87Å; W127-M159 HydrophobicContact CD2-CE 3.34Å; W127-M159 HydrophobicContact CE3-CE 3.86Å; W127-M159 HydrophobicContact CG-CE 3.31Å; W127-M159 HydrophobicContact CZ2-CE 4.38Å; L155-M159 HydrophobicContact CD1-CE 4.47Å; L155-M159 WeakPolarHBondContact O-CG 3.46Å; L155-M159 PolarHBondContact O-N 3.47Å; S156-M159 PolarHBondContact O-N 2.9Å; M159-Q161 PolarHBondContact O-N 2.97Å; M159-Y162 CarbonylContact O-C 3.57Å; M159-Y162 PolarHBondContact O-N 3.46Å; M159-R163 PolarHBondContact O-N 3.33Å; M159-R163 VanDerWaalsContact O-N 3.12Å; M159-L167 HydrophobicContact CE-CD1 4.21Å; M159-L167 HydrophobicContact SD-CD1 4.05Å; M159-M169 HydrophobicContact CE-CE 4.04Å; M159-M169 HydrophobicContact CG-CE 3.69Å; M159-M169 HydrophobicContact SD-CE 3.42Å; M159-M169 WeakPolarHBondContact SD-CE 3.35Å
160	L	96.4	Very high	95	Very high	78 Å²	78	50 Å²	50	41%	0.408	27%	0.271	S	S	.	.	H	α-helix	trans	-57.7	-32.6	177.7	-77.6	169.3	0	0	0	113.4	S156 M158 Y162 R163	S156-L160 WeakPolarHBondContact O-CG 3.45Å; S156-L160 PolarHBondContact O-N 2.73Å; M158-L160 PolarHBondContact O-N 2.62Å; L160-Y162 PolarHBondContact O-N 2.96Å; L160-R163 WeakPolarHBondContact O-CB 3.1Å; L160-R163 PolarHBondContact O-N 3.42Å
161	Q	96.1	Very high	94.9	Very high	138 Å²	138	48.3 Å²	48.3	65%	0.645	26%	0.256	S	S	*	.	H	α-helix	trans	-67.3	-24.9	177.9	-69.8	173.7	19.4	0	0	113	N157 M158 M159	N157-Q161 WeakPolarHBondContact O-CG 3.28Å; N157-Q161 PolarHBondContact O-N 2.74Å; M158-Q161 PolarHBondContact O-N 2.86Å; M159-Q161 PolarHBondContact O-N 2.97Å
162	Y	93.8	Very high	94.9	Very high	96 Å²	96	48.3 Å²	48.3	38%	0.376	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	15.2	-177.7	-69.6	-97.1	0	0	0	112.2	W127 M159 L160 G164 M165 L167	W127-Y162 AromaticContact CH2-CD2 3.74Å; W127-Y162 HydrophobicContact CH2-CD2 3.74Å; W127-Y162 AromaticContact CH2-CE2 3.42Å; W127-Y162 HydrophobicContact CH2-CE2 3.42Å; W127-Y162 VanDerWaalsContact CH2-CE2 3.42Å; W127-Y162 AromaticContact CH2-CZ 3.97Å; W127-Y162 AromaticContact CZ2-CD2 3.8Å; W127-Y162 HydrophobicContact CZ2-CD2 3.8Å; W127-Y162 AromaticContact CZ2-CE2 3.81Å; W127-Y162 HydrophobicContact CZ2-CE2 3.81Å; W127-Y162 HydrophobicContact CZ2-CG 4.19Å; M159-Y162 CarbonylContact O-C 3.57Å; M159-Y162 PolarHBondContact O-N 3.46Å; L160-Y162 PolarHBondContact O-N 2.96Å; Y162-G164 PolarHBondContact O-N 3.48Å; Y162-M165 HydrophobicContact CD1-SD 3.54Å; Y162-M165 VanDerWaalsContact CD1-SD 3.54Å; Y162-M165 HydrophobicContact CE1-SD 4.28Å; Y162-M165 HydrophobicContact CG-SD 4.2Å; Y162-M165 VanDerWaalsContact O-CB 3.29Å; Y162-M165 WeakPolarHBondContact O-CB 3.31Å; Y162-M165 WeakPolarHBondContact O-CG 3.31Å; Y162-M165 PolarHBondContact O-N 3.41Å; Y162-L167 VanDerWaalsContact CB-CD1 3.43Å; Y162-L167 HydrophobicContact CG-CD1 4.19Å
163	R	92.1	Very high	95	Very high	159 Å²	159	48.3 Å²	48.3	60%	0.6	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	129.4	-180	-174.9	178.5	178.8	-164.1	-0.4	110.5	M159 L160 M165	M159-R163 PolarHBondContact O-N 3.33Å; M159-R163 VanDerWaalsContact O-N 3.12Å; L160-R163 WeakPolarHBondContact O-CB 3.1Å; L160-R163 PolarHBondContact O-N 3.42Å; R163-M165 VanDerWaalsContact C-N 3.3Å
164	G	87.2	Confident	94.9	Very high	74 Å²	74	43.6 Å²	43.6	76%	0.763	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	3.3	-179	0	0	0	0	0	114.9	Y162 G166	Y162-G164 PolarHBondContact O-N 3.48Å; G164-G166 VanDerWaalsContact C-N 3.3Å
165	M	91.1	Very high	94.9	Very high	127 Å²	127	41 Å²	41	63%	0.626	22%	0.222	S	C	*	.	S	Bend	trans	-89.2	9.8	175.8	-57.1	-171.2	-173.3	0	0	113.6	Y162 R163	Y162-M165 HydrophobicContact CD1-SD 3.54Å; Y162-M165 VanDerWaalsContact CD1-SD 3.54Å; Y162-M165 HydrophobicContact CE1-SD 4.28Å; Y162-M165 HydrophobicContact CG-SD 4.2Å; Y162-M165 VanDerWaalsContact O-CB 3.29Å; Y162-M165 WeakPolarHBondContact O-CB 3.31Å; Y162-M165 WeakPolarHBondContact O-CG 3.31Å; Y162-M165 PolarHBondContact O-N 3.41Å; R163-M165 VanDerWaalsContact C-N 3.3Å
166	G	87.4	Confident	94.9	Very high	36 Å²	36	43.7 Å²	43.7	37%	0.371	23%	0.233	S	C	.	.			trans	80.4	21.3	177.6	0	0	0	0	0	115.2	G164	G164-G166 VanDerWaalsContact C-N 3.3Å
167	L	91	Very high	94.8	Very high	31 Å²	31	45.1 Å²	45.1	16%	0.162	24%	0.24	C	C	.	.			trans	-65.3	146.1	166	-64.3	-174.2	0	0	0	110	W127 M159 Y162 D188	W127-L167 HydrophobicContact CZ2-CD1 4.45Å; M159-L167 HydrophobicContact CE-CD1 4.21Å; M159-L167 HydrophobicContact SD-CD1 4.05Å; Y162-L167 VanDerWaalsContact CB-CD1 3.43Å; Y162-L167 HydrophobicContact CG-CD1 4.19Å; L167-D188 HydrophobicContact CB-CB 4.11Å
168	S	92.3	Very high	94.6	Very high	25 Å²	25	50.1 Å²	50.1	18%	0.175	26%	0.259	C	S	.	.			trans	-131.4	111.3	168.7	-173.7	0	0	0	0	110.9	H71 C120 D123	H71-S168 WeakPolarHBondContact CE1-CB 3.46Å; H71-S168 PolarHBondContact CE1-OG 3.25Å; H71-S168 PolarHBondContact ND1-OG 2.91Å; H71-S168 WeakPolarHBondContact NE2-CB 3.31Å; H71-S168 PolarHBondContact NE2-OG 3.17Å; C120-S168 PolarHBondContact N-O 3.48Å; D123-S168 PolarHBondContact OD2-N 3.2Å
169	M	92.9	Very high	94.5	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-153.4	131.9	179.6	-178.7	-99	-86.1	0	0	110.1	S118 C124 L155 M159 S171 D187 D188	S118-M169 CarbonylContact O-C 3.41Å; S118-M169 WeakPolarHBondContact O-CA 3.45Å; C124-M169 HydrophobicContact CB-CG 4.39Å; C124-M169 WeakPolarHBondContact SG-CG 3.49Å; L155-M169 HydrophobicContact CD1-CE 3.8Å; L155-M169 HydrophobicContact CD2-CE 3.83Å; L155-M169 HydrophobicContact CG-CE 3.87Å; M159-M169 HydrophobicContact CE-CE 4.04Å; M159-M169 HydrophobicContact CG-CE 3.69Å; M159-M169 HydrophobicContact SD-CE 3.42Å; M159-M169 WeakPolarHBondContact SD-CE 3.35Å; M169-S171 WeakPolarHBondContact SD-CB 3.38Å; M169-S171 PolarHBondContact SD-N 3.23Å; M169-D187 CarbonylContact O-C 3.48Å; M169-D187 WeakPolarHBondContact O-CA 3.46Å; M169-D188 PolarHBondContact N-OD1 3.45Å; M169-D188 PolarHBondContact O-N 2.92Å; M169-D188 VanDerWaalsContact O-OD1 3.11Å
170	G	95.1	Very high	94.4	Very high	7 Å²	7	58.5 Å²	58.5	7%	0.072	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	84.9	170.7	0	0	0	0	0	109.4	S118 V186 T200	S118-G170 WeakPolarHBondContact CB-O 3.15Å; S118-G170 PolarHBondContact O-N 3.45Å; G170-V186 CarbonylContact C-O 3.54Å; G170-T200 PolarHBondContact O-OG1 2.63Å
171	S	96.9	Very high	94.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.2	-174.6	-175.4	0	0	0	0	112.2	T116 E128 M169 V186	T116-S171 PolarHBondContact N-OG 2.87Å; T116-S171 VanDerWaalsContact O-CA 3.25Å; T116-S171 WeakPolarHBondContact O-CA 3.44Å; T116-S171 VanDerWaalsContact O-CB 3.28Å; T116-S171 WeakPolarHBondContact O-CB 3.39Å; T116-S171 PolarHBondContact O-OG 2.82Å; E128-S171 VanDerWaalsContact OE1-CB 3.26Å; E128-S171 WeakPolarHBondContact OE1-CB 3.41Å; E128-S171 PolarHBondContact OE1-OG 3.5Å; M169-S171 WeakPolarHBondContact SD-CB 3.38Å; M169-S171 PolarHBondContact SD-N 3.23Å; S171-V186 PolarHBondContact N-O 2.99Å; S171-V186 PolarHBondContact O-N 2.85Å
172	M	98.5	Very high	94.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.9	169.1	-64.4	173.8	-68.8	0	0	108.7	T75 A77 G115 T116 L183 Y184 Y185 F198 T200	T75-M172 WeakPolarHBondContact OG1-CE 3.31Å; A77-M172 HydrophobicContact CB-CE 4.23Å; A77-M172 HydrophobicContact CB-SD 3.9Å; G115-M172 WeakPolarHBondContact CA-O 3.29Å; T116-M172 HydrophobicContact CG2-CB 4.2Å; T116-M172 HydrophobicContact CG2-CE 3.82Å; T116-M172 PolarHBondContact N-O 3.31Å; T116-M172 WeakPolarHBondContact OG1-CB 3.14Å; T116-M172 WeakPolarHBondContact OG1-CE 3.41Å; T116-M172 PolarHBondContact OG1-N 3.5Å; M172-L183 HydrophobicContact CB-CD1 4.22Å; M172-Y184 CarbonylContact C-O 3.43Å; M172-Y184 VanDerWaalsContact CA-O 3.29Å; M172-Y184 WeakPolarHBondContact CA-O 3.32Å; M172-Y185 HydrophobicContact CG-CD2 4.34Å; M172-F198 HydrophobicContact CG-CB 4.16Å; M172-F198 HydrophobicContact SD-CB 3.42Å; M172-F198 WeakPolarHBondContact SD-CB 3.1Å; M172-T200 HydrophobicContact CE-CG2 4.27Å; M172-T200 HydrophobicContact CG-CG2 4.05Å; M172-T200 HydrophobicContact SD-CG2 4.08Å
173	I	98.5	Very high	94.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.2	174.2	-55.2	-55.4	0	0	0	108.6	I109 L113 L131 V148 L155 L183 Y184 V186	I109-I173 HydrophobicContact CD1-CD1 4Å; L113-I173 HydrophobicContact CD1-CG2 3.9Å; L113-I173 HydrophobicContact CD2-CG2 4.01Å; L113-I173 HydrophobicContact CG-CG2 4.03Å; L131-I173 HydrophobicContact CD2-CD1 4.04Å; V148-I173 HydrophobicContact CG1-CG2 4.09Å; L155-I173 HydrophobicContact CD2-CD1 3.83Å; L155-I173 HydrophobicContact CD2-CG1 4.07Å; I173-L183 WeakPolarHBondContact O-CA 3.17Å; I173-Y184 PolarHBondContact N-O 2.98Å; I173-Y184 PolarHBondContact O-N 3.31Å; I173-V186 HydrophobicContact CG1-CG2 4.47Å
174	C	98.1	Very high	95.2	Very high	1 Å²	1	40 Å²	40	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.8	-179.1	173.3	0	0	0	0	110	V84 V86 L113 L114 G182 L183	V84-C174 VanDerWaalsContact CB-SG 3.51Å; V84-C174 VanDerWaalsContact CG1-SG 3.54Å; V86-C174 HydrophobicContact CG2-CB 3.89Å; L113-C174 CarbonylContact C-O 3.49Å; L113-C174 VanDerWaalsContact CA-O 3.31Å; L113-C174 WeakPolarHBondContact CA-O 3.34Å; L114-C174 HydrophobicContact CB-CB 4.4Å; L114-C174 PolarHBondContact N-O 2.89Å; L114-C174 PolarHBondContact O-N 3.1Å; C174-G182 WeakPolarHBondContact CA-O 3.25Å; C174-L183 HydrophobicContact CB-CD1 4.06Å
175	G	98	Very high	95.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	178.2	175.2	0	0	0	0	0	112.9	Y112 G182	Y112-G175 WeakPolarHBondContact O-CA 3.38Å; G175-G182 PolarHBondContact N-O 3.33Å; G175-G182 PolarHBondContact O-N 3.07Å
176	W	97.4	Very high	96	Very high	57 Å²	57	32.9 Å²	32.9	22%	0.216	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.5	169.9	-158.7	-68.3	0	0	0	109.5	G83 Y112 P181 M251 K252 E253	G83-W176 VanDerWaalsContact CA-CZ3 3.41Å; Y112-W176 PolarHBondContact O-N 3.24Å; W176-P181 HydrophobicContact CE3-CB 4.11Å; W176-P181 HydrophobicContact CZ3-CB 4.29Å; W176-P181 HydrophobicContact CZ3-CG 4.49Å; W176-M251 HydrophobicContact CB-CG 4.4Å; W176-K252 WeakPolarHBondContact CB-O 3.31Å; W176-E253 VanDerWaalsContact CD2-CA 3.49Å; W176-E253 HydrophobicContact CD2-CB 4.01Å; W176-E253 HydrophobicContact CE3-CB 4.45Å; W176-E253 HydrophobicContact CG-CB 4.39Å; W176-E253 HydrophobicContact CH2-CB 4.35Å; W176-E253 HydrophobicContact CZ2-CB 3.9Å; W176-E253 HydrophobicContact CZ2-CG 4.4Å
177	D	95.4	Very high	96.4	Very high	30 Å²	30	32 Å²	32	16%	0.16	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	-171.4	176.6	70.7	27.7	0	0	0	111.9	S147 V148 K179 G180	S147-D177 WeakPolarHBondContact CB-OD2 3.28Å; V148-D177 HydrophobicContact CG2-CB 4.09Å; V148-D177 PolarHBondContact N-OD2 3.04Å; D177-K179 PolarHBondContact O-N 3.08Å; D177-K179 WeakPolarHBondContact OD1-CA 3.04Å; D177-K179 WeakPolarHBondContact OD1-CB 3.38Å; D177-K179 PolarHBondContact OD1-N 3.03Å; D177-G180 PolarHBondContact N-O 2.95Å; D177-G180 VanDerWaalsContact N-O 3.07Å; D177-G180 WeakPolarHBondContact O-CA 3.26Å; D177-G180 PolarHBondContact O-N 3.49Å
178	K	94.8	Very high	96.6	Very high	172 Å²	172	32.2 Å²	32.2	75%	0.748	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.9	-179.9	-68.1	177.4	171.6	172.7	0	113.9	E144	E144-K178 WeakPolarHBondContact OE1-CE 3.45Å; E144-K178 IonicContact OE1-NZ 2.91Å; E144-K178 PolarHBondContact OE1-NZ 2.82Å; E144-K178 IonicContact OE2-NZ 3.72Å; E144-K178 PolarHBondContact OE2-NZ 3.2Å
179	K	94.4	Very high	96.6	Very high	181 Å²	181	34.9 Å²	34.9	79%	0.787	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	1.2	176.6	-61.4	-179.2	176.8	179.5	0	112.7	D177	D177-K179 PolarHBondContact O-N 3.08Å; D177-K179 WeakPolarHBondContact OD1-CA 3.04Å; D177-K179 WeakPolarHBondContact OD1-CB 3.38Å; D177-K179 PolarHBondContact OD1-N 3.03Å
180	G	96	Very high	96.6	Very high	13 Å²	13	35.5 Å²	35.5	13%	0.134	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.7	-152.2	-176	0	0	0	0	0	113	D177 G182	D177-G180 PolarHBondContact N-O 2.95Å; D177-G180 VanDerWaalsContact N-O 3.07Å; D177-G180 WeakPolarHBondContact O-CA 3.26Å; D177-G180 PolarHBondContact O-N 3.49Å; G180-G182 PolarHBondContact O-N 3.27Å
181	P	97.6	Very high	96.7	Very high	41 Å²	41	37.7 Å²	37.7	27%	0.266	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.2	-177.3	24.8	-32.1	0	0	0	112.3	K79 V84 W176	K79-P181 WeakPolarHBondContact CE-O 3.34Å; K79-P181 PolarHBondContact NZ-O 2.79Å; V84-P181 HydrophobicContact CG2-CB 3.59Å; W176-P181 HydrophobicContact CE3-CB 4.11Å; W176-P181 HydrophobicContact CZ3-CB 4.29Å; W176-P181 HydrophobicContact CZ3-CG 4.49Å
182	G	98.1	Very high	96.7	Very high	7 Å²	7	41 Å²	41	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.3	176.8	0	0	0	0	0	112	C174 G175 G180	C174-G182 WeakPolarHBondContact CA-O 3.25Å; G175-G182 PolarHBondContact N-O 3.33Å; G175-G182 PolarHBondContact O-N 3.07Å; G180-G182 PolarHBondContact O-N 3.27Å
183	L	98.7	Very high	96.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	122.3	172.9	-177.2	63.7	0	0	0	108.3	A77 K79 V84 M172 I173 C174 G195 F198	A77-L183 HydrophobicContact CB-CD1 3.69Å; A77-L183 HydrophobicContact CB-CD2 4.02Å; K79-L183 HydrophobicContact CD-CB 4.3Å; K79-L183 HydrophobicContact CG-CB 4.08Å; K79-L183 HydrophobicContact CG-CD2 4.38Å; V84-L183 HydrophobicContact CG1-CD1 4.44Å; V84-L183 HydrophobicContact CG1-CD2 4.5Å; M172-L183 HydrophobicContact CB-CD1 4.22Å; I173-L183 WeakPolarHBondContact O-CA 3.17Å; C174-L183 HydrophobicContact CB-CD1 4.06Å; L183-G195 PolarHBondContact O-N 2.96Å; L183-F198 HydrophobicContact CD2-CD2 3.91Å; L183-F198 HydrophobicContact CG-CD2 3.94Å; L183-F198 HydrophobicContact CG-CE2 4.36Å
184	Y	98.8	Very high	96.7	Very high	35 Å²	35	48.8 Å²	48.8	14%	0.137	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.4	179.4	-71	-90.3	0	0	0	110.6	V148 S149 M172 I173 R192 L193 S194	V148-Y184 HydrophobicContact CB-CD2 4.49Å; V148-Y184 HydrophobicContact CB-CE2 4.36Å; V148-Y184 HydrophobicContact CG1-CD2 3.84Å; V148-Y184 HydrophobicContact CG1-CE2 4.18Å; S149-Y184 WeakPolarHBondContact CB-OH 3.25Å; M172-Y184 CarbonylContact C-O 3.43Å; M172-Y184 VanDerWaalsContact CA-O 3.29Å; M172-Y184 WeakPolarHBondContact CA-O 3.32Å; I173-Y184 PolarHBondContact N-O 2.98Å; I173-Y184 PolarHBondContact O-N 3.31Å; Y184-R192 HydrophobicContact CD1-CG 4.43Å; Y184-R192 VanDerWaalsContact CE1-CZ 3.46Å; Y184-L193 CarbonylContact C-O 3.47Å; Y184-L193 WeakPolarHBondContact CA-O 3.17Å; Y184-S194 VanDerWaalsContact CE1-CB 3.48Å
185	Y	98.6	Very high	96.7	Very high	52 Å²	52	49.6 Å²	49.6	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133	166	172.1	-105.3	0	0	0	109.6	M172 D187 T191 R192 L193 T200	M172-Y185 HydrophobicContact CG-CD2 4.34Å; Y185-D187 HydrophobicContact CE1-CB 4Å; Y185-D187 WeakPolarHBondContact OH-CB 3.17Å; Y185-T191 HydrophobicContact CE1-CG2 4.47Å; Y185-R192 CarbonylContact O-C 3.52Å; Y185-R192 VanDerWaalsContact O-CA 3.31Å; Y185-R192 WeakPolarHBondContact O-CA 3.44Å; Y185-L193 HydrophobicContact CD1-CD1 4.25Å; Y185-L193 PolarHBondContact N-O 3.42Å; Y185-L193 PolarHBondContact O-N 2.77Å; Y185-T200 HydrophobicContact CD2-CG2 3.64Å; Y185-T200 HydrophobicContact CE2-CG2 3.46Å; Y185-T200 VanDerWaalsContact CE2-CG2 3.46Å
186	V	98.4	Very high	96.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.8	176	-177.6	0	0	0	0	109.2	L155 G170 S171 I173 T191 R192	L155-V186 HydrophobicContact CB-CG1 4.45Å; L155-V186 HydrophobicContact CD2-CB 4.28Å; L155-V186 HydrophobicContact CD2-CG1 4.2Å; L155-V186 HydrophobicContact CG-CG1 4.08Å; G170-V186 CarbonylContact C-O 3.54Å; S171-V186 PolarHBondContact N-O 2.99Å; S171-V186 PolarHBondContact O-N 2.85Å; I173-V186 HydrophobicContact CG1-CG2 4.47Å; V186-T191 VanDerWaalsContact CA-O 3.31Å; V186-T191 WeakPolarHBondContact CA-O 3.48Å; V186-R192 HydrophobicContact CG2-CG 4.3Å
187	D	95.9	Very high	96.7	Very high	16 Å²	16	53.4 Å²	53.4	9%	0.086	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	170.4	176.3	74.7	13.2	0	0	0	114	M169 Y185 N189 G190 T191	M169-D187 CarbonylContact O-C 3.48Å; M169-D187 WeakPolarHBondContact O-CA 3.46Å; Y185-D187 HydrophobicContact CE1-CB 4Å; Y185-D187 WeakPolarHBondContact OH-CB 3.17Å; D187-N189 PolarHBondContact O-N 3.22Å; D187-N189 WeakPolarHBondContact OD1-CA 3.34Å; D187-N189 WeakPolarHBondContact OD1-CB 3.31Å; D187-N189 PolarHBondContact OD1-N 2.96Å; D187-G190 PolarHBondContact O-N 3.38Å; D187-G190 PolarHBondContact OD1-N 3.35Å; D187-G190 VanDerWaalsContact OD1-N 3.08Å; D187-T191 VanDerWaalsContact CG-OG1 3.29Å; D187-T191 PolarHBondContact N-O 3Å; D187-T191 WeakPolarHBondContact OD1-CA 3.49Å; D187-T191 WeakPolarHBondContact OD1-CB 3.39Å; D187-T191 PolarHBondContact OD1-N 3.35Å; D187-T191 PolarHBondContact OD1-OG1 3.36Å; D187-T191 VanDerWaalsContact OD1-OG1 3.07Å; D187-T191 WeakPolarHBondContact OD2-CB 3.42Å; D187-T191 PolarHBondContact OD2-OG1 3.2Å
188	D	94.1	Very high	96.8	Very high	37 Å²	37	53.1 Å²	53.1	20%	0.198	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.9	176.7	55.4	-99.2	0	0	0	114.3	L167 M169 G190	L167-D188 HydrophobicContact CB-CB 4.11Å; M169-D188 PolarHBondContact N-OD1 3.45Å; M169-D188 PolarHBondContact O-N 2.92Å; M169-D188 VanDerWaalsContact O-OD1 3.11Å; D188-G190 VanDerWaalsContact C-N 3.25Å; D188-G190 PolarHBondContact O-N 3.45Å
189	N	93.3	Very high	97	Very high	81 Å²	81	45.2 Å²	45.2	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.1	172.8	-71.5	-63.2	0	0	0	112.9	D187 T191	D187-N189 PolarHBondContact O-N 3.22Å; D187-N189 WeakPolarHBondContact OD1-CA 3.34Å; D187-N189 WeakPolarHBondContact OD1-CB 3.31Å; D187-N189 PolarHBondContact OD1-N 2.96Å; N189-T191 VanDerWaalsContact C-N 3.35Å
190	G	91.5	Very high	97.1	Very high	15 Å²	15	37 Å²	37	16%	0.155	20%	0.204	C	C	.	.			trans	83.9	9.9	-175.6	0	0	0	0	0	113.9	D187 D188	D187-G190 PolarHBondContact O-N 3.38Å; D187-G190 PolarHBondContact OD1-N 3.35Å; D187-G190 VanDerWaalsContact OD1-N 3.08Å; D188-G190 VanDerWaalsContact C-N 3.25Å; D188-G190 PolarHBondContact O-N 3.45Å
191	T	97.3	Very high	97	Very high	52 Å²	52	37.3 Å²	37.3	32%	0.319	21%	0.208	S	C	.	.			trans	-59.5	138	170.5	-54.2	0	0	0	0	108.7	Y185 V186 D187 N189 L193	Y185-T191 HydrophobicContact CE1-CG2 4.47Å; V186-T191 VanDerWaalsContact CA-O 3.31Å; V186-T191 WeakPolarHBondContact CA-O 3.48Å; D187-T191 VanDerWaalsContact CG-OG1 3.29Å; D187-T191 PolarHBondContact N-O 3Å; D187-T191 WeakPolarHBondContact OD1-CA 3.49Å; D187-T191 WeakPolarHBondContact OD1-CB 3.39Å; D187-T191 PolarHBondContact OD1-N 3.35Å; D187-T191 PolarHBondContact OD1-OG1 3.36Å; D187-T191 VanDerWaalsContact OD1-OG1 3.07Å; D187-T191 WeakPolarHBondContact OD2-CB 3.42Å; D187-T191 PolarHBondContact OD2-OG1 3.2Å; N189-T191 VanDerWaalsContact C-N 3.35Å; T191-L193 HydrophobicContact CG2-CD1 3.96Å; T191-L193 HydrophobicContact CG2-CD2 4.28Å; T191-L193 HydrophobicContact CG2-CG 3.78Å
192	R	98.2	Very high	96.9	Very high	70 Å²	70	37.3 Å²	37.3	26%	0.264	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	109.8	176.3	-179	-177.3	171.1	-77.7	1.9	110	S149 S152 Y184 Y185 V186	S149-R192 VanDerWaalsContact CA-NH2 3.35Å; S149-R192 PolarHBondContact O-NH2 3.34Å; S152-R192 PolarHBondContact OG-NE 2.87Å; S152-R192 PolarHBondContact OG-NH2 3.44Å; Y184-R192 HydrophobicContact CD1-CG 4.43Å; Y184-R192 VanDerWaalsContact CE1-CZ 3.46Å; Y185-R192 CarbonylContact O-C 3.52Å; Y185-R192 VanDerWaalsContact O-CA 3.31Å; Y185-R192 WeakPolarHBondContact O-CA 3.44Å; V186-R192 HydrophobicContact CG2-CG 4.3Å
193	L	98.4	Very high	96.8	Very high	88 Å²	88	37 Å²	37	46%	0.461	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.1	-175.4	-58.7	174.6	0	0	0	110.7	Y184 Y185 T191 F198	Y184-L193 CarbonylContact C-O 3.47Å; Y184-L193 WeakPolarHBondContact CA-O 3.17Å; Y185-L193 HydrophobicContact CD1-CD1 4.25Å; Y185-L193 PolarHBondContact N-O 3.42Å; Y185-L193 PolarHBondContact O-N 2.77Å; T191-L193 HydrophobicContact CG2-CD1 3.96Å; T191-L193 HydrophobicContact CG2-CD2 4.28Å; T191-L193 HydrophobicContact CG2-CG 3.78Å; L193-F198 HydrophobicContact CB-CE1 4.35Å; L193-F198 HydrophobicContact CB-CZ 3.96Å
194	S	98.3	Very high	96.6	Very high	77 Å²	77	39.4 Å²	39.4	54%	0.538	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.3	167.3	-173.1	0	0	0	0	108.2	Y184	Y184-S194 VanDerWaalsContact CE1-CB 3.48Å
195	G	96.7	Very high	96.6	Very high	18 Å²	18	41.9 Å²	41.9	19%	0.186	24%	0.238	C	C	.	.			trans	-153.1	169.4	-178.5	0	0	0	0	0	112.7	K79 L183	K79-G195 WeakPolarHBondContact CE-O 3.46Å; L183-G195 PolarHBondContact O-N 2.96Å
196	Q	97.4	Very high	96.5	Very high	105 Å²	105	44.5 Å²	44.5	49%	0.491	25%	0.248	S	C	.	.	S	Bend	trans	-82.7	-27.9	171.6	-65.6	-61.2	-29.7	0	0	111.4	F78 K79	F78-Q196 CarbonylContact C-O 3.58Å; F78-Q196 VanDerWaalsContact CA-O 3.3Å; F78-Q196 WeakPolarHBondContact CA-O 3.2Å; K79-Q196 PolarHBondContact N-O 3.46Å
197	M	98.1	Very high	96.5	Very high	31 Å²	31	44.5 Å²	44.5	15%	0.153	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	141.3	-171.8	176.6	168.3	78.3	0	0	110.2	A77 F78 Y208 M211 D212 Y215	A77-M197 CarbonylContact O-C 3.58Å; A77-M197 VanDerWaalsContact O-CA 3.3Å; A77-M197 WeakPolarHBondContact O-CA 3.12Å; F78-M197 HydrophobicContact CB-CB 3.93Å; F78-M197 HydrophobicContact CB-CG 3.84Å; F78-M197 HydrophobicContact CB-SD 4.19Å; M197-Y208 HydrophobicContact CE-CD1 4.41Å; M197-M211 HydrophobicContact CE-CE 4.2Å; M197-M211 HydrophobicContact CG-CE 3.3Å; M197-M211 HydrophobicContact CG-CG 4.34Å; M197-M211 HydrophobicContact CG-SD 3.56Å; M197-M211 VanDerWaalsContact CG-SD 3.56Å; M197-M211 HydrophobicContact SD-CB 4.3Å; M197-M211 HydrophobicContact SD-CE 3.43Å; M197-M211 WeakPolarHBondContact SD-CE 3.37Å; M197-M211 HydrophobicContact SD-CG 3.38Å; M197-M211 WeakPolarHBondContact SD-CG 3.47Å; M197-M211 HydrophobicContact SD-SD 3.43Å; M197-D212 WeakPolarHBondContact CE-OD1 3.36Å; M197-Y215 HydrophobicContact SD-CG 4.49Å
198	F	98.6	Very high	96.7	Very high	25 Å²	25	46.8 Å²	46.8	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.4	175.9	-67.2	-64.5	0	0	0	110.3	L76 A77 M172 L183 L193 Y208	L76-F198 CarbonylContact C-O 3.17Å; L76-F198 VanDerWaalsContact CA-O 3.31Å; L76-F198 WeakPolarHBondContact CA-O 3.28Å; A77-F198 PolarHBondContact N-O 3.28Å; A77-F198 PolarHBondContact O-N 3.45Å; M172-F198 HydrophobicContact CG-CB 4.16Å; M172-F198 HydrophobicContact SD-CB 3.42Å; M172-F198 WeakPolarHBondContact SD-CB 3.1Å; L183-F198 HydrophobicContact CD2-CD2 3.91Å; L183-F198 HydrophobicContact CG-CD2 3.94Å; L183-F198 HydrophobicContact CG-CE2 4.36Å; L193-F198 HydrophobicContact CB-CE1 4.35Å; L193-F198 HydrophobicContact CB-CZ 3.96Å; F198-Y208 WeakPolarHBondContact CA-OH 3.45Å
199	S	98.1	Very high	96.8	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.1	164.5	-176.9	0	0	0	0	110	T75 N204 A207 Y208	T75-S199 CarbonylContact O-C 3.58Å; T75-S199 WeakPolarHBondContact O-CA 3.43Å; T75-S199 WeakPolarHBondContact O-CB 3.33Å; T75-S199 PolarHBondContact O-OG 2.83Å; S199-N204 WeakPolarHBondContact OG-CA 3.32Å; S199-A207 WeakPolarHBondContact OG-CB 3.12Å; S199-Y208 PolarHBondContact N-OH 3.29Å
200	T	96.9	Very high	97.1	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.043	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	159.9	-176.1	80.6	0	0	0	0	111.2	T75 S118 G170 M172 Y185	T75-T200 PolarHBondContact N-O 2.91Å; T75-T200 PolarHBondContact O-N 2.92Å; T75-T200 PolarHBondContact OG1-OG1 2.91Å; S118-T200 WeakPolarHBondContact CB-OG1 2.86Å; S118-T200 PolarHBondContact OG-OG1 2.81Å; G170-T200 PolarHBondContact O-OG1 2.63Å; M172-T200 HydrophobicContact CE-CG2 4.27Å; M172-T200 HydrophobicContact CG-CG2 4.05Å; M172-T200 HydrophobicContact SD-CG2 4.08Å; Y185-T200 HydrophobicContact CD2-CG2 3.64Å; Y185-T200 HydrophobicContact CE2-CG2 3.46Å; Y185-T200 VanDerWaalsContact CE2-CG2 3.46Å
201	G	94.6	Very high	97.4	Very high	21 Å²	21	44.5 Å²	44.5	22%	0.216	25%	0.253	C	S	.	.	S	Bend	trans	95.3	-178.9	-177.7	0	0	0	0	0	113.6	T73 S118 G203 N204	T73-G201 CarbonylContact O-C 3.56Å; T73-G201 WeakPolarHBondContact O-CA 3.39Å; S118-G201 WeakPolarHBondContact OG-CA 3.47Å; S118-G201 PolarHBondContact OG-N 3.41Å; G201-G203 VanDerWaalsContact C-N 3.32Å; G201-G203 PolarHBondContact O-N 2.67Å; G201-N204 VanDerWaalsContact O-CB 3.32Å; G201-N204 WeakPolarHBondContact O-CB 3.48Å; G201-N204 VanDerWaalsContact O-CG 3.27Å; G201-N204 PolarHBondContact O-N 3.28Å; G201-N204 PolarHBondContact O-OD1 3.09Å
202	S	94.2	Very high	97.4	Very high	41 Å²	41	46.6 Å²	46.6	29%	0.287	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-34.7	-176.5	49.5	0	0	0	0	114.2	H71 T73 D239	H71-S202 WeakPolarHBondContact O-CB 3.15Å; H71-S202 PolarHBondContact O-OG 3.38Å; T73-S202 PolarHBondContact N-OG 2.9Å; T73-S202 PolarHBondContact O-N 3.49Å; T73-S202 PolarHBondContact O-OG 3.46Å; S202-D239 WeakPolarHBondContact CB-OD2 3.49Å; S202-D239 PolarHBondContact OG-OD2 3.01Å
203	G	95.8	Very high	97.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	12.3	-179.4	0	0	0	0	0	114.8	T73 T74 G201 T205 Y206 A207 D239	T73-G203 PolarHBondContact O-N 2.86Å; T74-G203 VanDerWaalsContact OG1-CA 3.24Å; T74-G203 WeakPolarHBondContact OG1-CA 3.37Å; G201-G203 VanDerWaalsContact C-N 3.32Å; G201-G203 PolarHBondContact O-N 2.67Å; G203-T205 VanDerWaalsContact C-N 3.34Å; G203-T205 PolarHBondContact O-N 2.82Å; G203-Y206 PolarHBondContact O-N 2.72Å; G203-A207 PolarHBondContact O-N 3.18Å; G203-A207 VanDerWaalsContact O-N 3.17Å; G203-D239 PolarHBondContact N-OD2 3Å
204	N	96.2	Very high	97.3	Very high	50 Å²	50	45.3 Å²	45.3	27%	0.267	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-38.9	-173	72.3	-27.2	0	0	0	113.9	S199 G201 Y206 A207 Y208	S199-N204 WeakPolarHBondContact OG-CA 3.32Å; G201-N204 VanDerWaalsContact O-CB 3.32Å; G201-N204 WeakPolarHBondContact O-CB 3.48Å; G201-N204 VanDerWaalsContact O-CG 3.27Å; G201-N204 PolarHBondContact O-N 3.28Å; G201-N204 PolarHBondContact O-OD1 3.09Å; N204-Y206 VanDerWaalsContact C-N 3.34Å; N204-Y206 PolarHBondContact O-N 2.97Å; N204-A207 PolarHBondContact O-N 3.47Å; N204-Y208 WeakPolarHBondContact O-CD2 3.34Å; N204-Y208 PolarHBondContact O-N 3.46Å
205	T	97.3	Very high	97.3	Very high	88 Å²	88	44.5 Å²	44.5	54%	0.54	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-39.7	-179.2	52.1	0	0	0	0	112	G203 G209	G203-T205 VanDerWaalsContact C-N 3.34Å; G203-T205 PolarHBondContact O-N 2.82Å; T205-G209 PolarHBondContact O-N 3.42Å
206	Y	98.1	Very high	97.3	Very high	106 Å²	106	49 Å²	49	42%	0.416	27%	0.272	S	S	.	.	H	α-helix	trans	-68	-39.8	175.7	-53.9	-62.8	0	0	0	111.7	G203 N204 G209 V210 R238 D239	G203-Y206 PolarHBondContact O-N 2.72Å; N204-Y206 VanDerWaalsContact C-N 3.34Å; N204-Y206 PolarHBondContact O-N 2.97Å; Y206-G209 PolarHBondContact O-N 3.03Å; Y206-V210 PolarHBondContact O-N 3.27Å; Y206-R238 HydrophobicContact CD1-CB 3.77Å; Y206-R238 HydrophobicContact CD1-CG 4.1Å; Y206-R238 HydrophobicContact CD2-CB 3.95Å; Y206-R238 HydrophobicContact CE1-CB 3.71Å; Y206-R238 HydrophobicContact CE1-CG 4.21Å; Y206-R238 HydrophobicContact CE2-CB 3.9Å; Y206-R238 HydrophobicContact CG-CB 3.89Å; Y206-D239 HydrophobicContact CD2-CB 4.08Å; Y206-D239 HydrophobicContact CE2-CB 3.99Å
207	A	98.2	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.3	-45.7	176.2	0	0	0	0	0	111.5	T74 L76 S199 G203 N204 G209 V210 M211 A235	T74-A207 HydrophobicContact CG2-CB 3.83Å; L76-A207 HydrophobicContact CD2-CB 4.06Å; S199-A207 WeakPolarHBondContact OG-CB 3.12Å; G203-A207 PolarHBondContact O-N 3.18Å; G203-A207 VanDerWaalsContact O-N 3.17Å; N204-A207 PolarHBondContact O-N 3.47Å; A207-G209 VanDerWaalsContact C-N 3.35Å; A207-G209 PolarHBondContact O-N 3.35Å; A207-V210 PolarHBondContact O-N 3.24Å; A207-M211 WeakPolarHBondContact O-CB 3.21Å; A207-M211 PolarHBondContact O-N 3.15Å; A207-A235 HydrophobicContact CB-CB 4.2Å
208	Y	98.6	Very high	97.2	Very high	65 Å²	65	53.2 Å²	53.2	26%	0.255	30%	0.295	S	S	.	.	H	α-helix	trans	-55.9	-46.7	175.3	-83.1	-62.9	0	0	0	111.9	M197 F198 S199 N204 V210 M211 D212	M197-Y208 HydrophobicContact CE-CD1 4.41Å; F198-Y208 WeakPolarHBondContact CA-OH 3.45Å; S199-Y208 PolarHBondContact N-OH 3.29Å; N204-Y208 WeakPolarHBondContact O-CD2 3.34Å; N204-Y208 PolarHBondContact O-N 3.46Å; Y208-V210 VanDerWaalsContact C-N 3.3Å; Y208-V210 PolarHBondContact O-N 2.92Å; Y208-M211 HydrophobicContact CD1-CE 3.7Å; Y208-M211 HydrophobicContact CE1-CE 3.94Å; Y208-M211 HydrophobicContact CG-CE 4.48Å; Y208-M211 PolarHBondContact O-N 3.44Å; Y208-M211 VanDerWaalsContact O-N 3.13Å; Y208-D212 VanDerWaalsContact O-CB 3.27Å; Y208-D212 WeakPolarHBondContact O-CB 3.34Å; Y208-D212 PolarHBondContact O-N 2.85Å
209	G	98.2	Very high	97.1	Very high	50 Å²	50	52.2 Å²	52.2	52%	0.515	29%	0.291	S	S	.	.	H	α-helix	trans	-56.3	-40.7	-178.9	0	0	0	0	0	114.3	T205 Y206 A207 S213	T205-G209 PolarHBondContact O-N 3.42Å; Y206-G209 PolarHBondContact O-N 3.03Å; A207-G209 VanDerWaalsContact C-N 3.35Å; A207-G209 PolarHBondContact O-N 3.35Å; G209-S213 WeakPolarHBondContact O-CB 3.23Å; G209-S213 PolarHBondContact O-OG 2.98Å; G209-S213 VanDerWaalsContact O-OG 3.07Å
210	V	98.1	Very high	97.1	Very high	34 Å²	34	54 Å²	54	21%	0.206	30%	0.303	C	S	.	.	H	α-helix	trans	-76.8	-42.3	176.5	179.3	0	0	0	0	111.1	Y206 A207 Y208 S213 G214 R230 A231 Y234	Y206-V210 PolarHBondContact O-N 3.27Å; A207-V210 PolarHBondContact O-N 3.24Å; Y208-V210 VanDerWaalsContact C-N 3.3Å; Y208-V210 PolarHBondContact O-N 2.92Å; V210-S213 PolarHBondContact O-N 3.08Å; V210-S213 PolarHBondContact O-OG 2.73Å; V210-G214 PolarHBondContact O-N 3.15Å; V210-R230 HydrophobicContact CG1-CB 4.24Å; V210-A231 HydrophobicContact CB-CB 4.09Å; V210-A231 HydrophobicContact CG1-CB 4.05Å; V210-Y234 HydrophobicContact CG1-CD2 4.27Å; V210-Y234 HydrophobicContact CG2-CD2 4Å; V210-Y234 HydrophobicContact CG2-CG 4.36Å
211	M	97.8	Very high	97.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-48.9	-176.4	-166.7	173.8	44.5	0	0	111.7	L76 F78 M197 A207 Y208 S213 G214 Y215 A231	L76-M211 HydrophobicContact CB-CE 4.3Å; L76-M211 HydrophobicContact CB-SD 4.11Å; L76-M211 HydrophobicContact CD1-SD 3.95Å; L76-M211 HydrophobicContact CD2-SD 4.36Å; L76-M211 HydrophobicContact CG-SD 4.37Å; F78-M211 HydrophobicContact CB-SD 4.31Å; F78-M211 HydrophobicContact CD1-CG 4.23Å; F78-M211 HydrophobicContact CD1-SD 3.69Å; F78-M211 HydrophobicContact CE1-SD 4.49Å; F78-M211 HydrophobicContact CG-SD 4.37Å; M197-M211 HydrophobicContact CE-CE 4.2Å; M197-M211 HydrophobicContact CG-CE 3.3Å; M197-M211 HydrophobicContact CG-CG 4.34Å; M197-M211 HydrophobicContact CG-SD 3.56Å; M197-M211 VanDerWaalsContact CG-SD 3.56Å; M197-M211 HydrophobicContact SD-CB 4.3Å; M197-M211 HydrophobicContact SD-CE 3.43Å; M197-M211 WeakPolarHBondContact SD-CE 3.37Å; M197-M211 HydrophobicContact SD-CG 3.38Å; M197-M211 WeakPolarHBondContact SD-CG 3.47Å; M197-M211 HydrophobicContact SD-SD 3.43Å; A207-M211 WeakPolarHBondContact O-CB 3.21Å; A207-M211 PolarHBondContact O-N 3.15Å; Y208-M211 HydrophobicContact CD1-CE 3.7Å; Y208-M211 HydrophobicContact CE1-CE 3.94Å; Y208-M211 HydrophobicContact CG-CE 4.48Å; Y208-M211 PolarHBondContact O-N 3.44Å; Y208-M211 VanDerWaalsContact O-N 3.13Å; M211-S213 VanDerWaalsContact C-N 3.28Å; M211-S213 PolarHBondContact O-N 2.9Å; M211-G214 PolarHBondContact O-N 3.48Å; M211-Y215 WeakPolarHBondContact O-CB 3.43Å; M211-Y215 PolarHBondContact O-N 2.84Å; M211-A231 HydrophobicContact CB-CB 4.31Å
212	D	98.2	Very high	97.4	Very high	97 Å²	97	60.9 Å²	60.9	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-34.7	178.4	-77.3	-52.3	0	0	0	112.6	M197 Y208	M197-D212 WeakPolarHBondContact CE-OD1 3.36Å; Y208-D212 VanDerWaalsContact O-CB 3.27Å; Y208-D212 WeakPolarHBondContact O-CB 3.34Å; Y208-D212 PolarHBondContact O-N 2.85Å
213	S	97.8	Very high	97.6	Very high	103 Å²	103	62.8 Å²	62.8	72%	0.72	34%	0.337	S	S	*	.	H	α-helix	trans	-75.1	-28.5	-178.8	61.8	0	0	0	0	113.8	G209 V210 M211	G209-S213 WeakPolarHBondContact O-CB 3.23Å; G209-S213 PolarHBondContact O-OG 2.98Å; G209-S213 VanDerWaalsContact O-OG 3.07Å; V210-S213 PolarHBondContact O-N 3.08Å; V210-S213 PolarHBondContact O-OG 2.73Å; M211-S213 VanDerWaalsContact C-N 3.28Å; M211-S213 PolarHBondContact O-N 2.9Å
214	G	95.9	Very high	97.7	Very high	27 Å²	27	62.8 Å²	62.8	28%	0.278	34%	0.337	S	S	.	.	H	α-helix	trans	-105.8	-9.7	-178.5	0	0	0	0	0	115.2	V210 M211 R216	V210-G214 PolarHBondContact O-N 3.15Å; M211-G214 PolarHBondContact O-N 3.48Å; G214-R216 PolarHBondContact O-N 3.27Å
215	Y	98.1	Very high	97.8	Very high	61 Å²	61	61.5 Å²	61.5	24%	0.239	33%	0.329	C	S	.	.			trans	-69.8	131.1	-173.9	176.9	-102.9	0	0	0	112.6	F78 K79 M197 M211 L219	F78-Y215 HydrophobicContact CB-CE2 4.35Å; F78-Y215 AromaticContact CD2-CD2 3.91Å; F78-Y215 HydrophobicContact CD2-CD2 3.91Å; F78-Y215 AromaticContact CD2-CE2 3.81Å; F78-Y215 HydrophobicContact CD2-CE2 3.81Å; F78-Y215 HydrophobicContact CE2-CD2 4.48Å; F78-Y215 HydrophobicContact CG-CD2 4.38Å; F78-Y215 HydrophobicContact CG-CE2 4.42Å; K79-Y215 WeakPolarHBondContact O-CE2 3.34Å; K79-Y215 PolarHBondContact O-OH 3.1Å; M197-Y215 HydrophobicContact SD-CG 4.49Å; M211-Y215 WeakPolarHBondContact O-CB 3.43Å; M211-Y215 PolarHBondContact O-N 2.84Å; Y215-L219 HydrophobicContact CD2-CD1 4.43Å
216	R	97.5	Very high	97.8	Very high	112 Å²	112	59.4 Å²	59.4	42%	0.423	31%	0.314	S	S	.	.			trans	-138.4	149.3	165.4	-50.7	-173.1	-60	-84.8	2.8	109.2	G214 D218 L219 E223	G214-R216 PolarHBondContact O-N 3.27Å; R216-D218 WeakPolarHBondContact CB-OD1 3.34Å; R216-D218 IonicContact NE-OD1 3.99Å; R216-D218 PolarHBondContact O-N 3.37Å; R216-L219 HydrophobicContact CB-CD2 4.42Å; R216-L219 HydrophobicContact CB-CG 4.12Å; R216-L219 VanDerWaalsContact O-CD1 3.28Å; R216-L219 WeakPolarHBondContact O-CD1 3.48Å; R216-L219 WeakPolarHBondContact O-CG 3.36Å; R216-E223 IonicContact CZ-OE1 3.17Å; R216-E223 IonicContact NH2-OE1 2.86Å; R216-E223 PolarHBondContact NH2-OE1 2.92Å; R216-E223 IonicContact NH2-OE2 2.83Å
217	Q	95.6	Very high	97.9	Very high	128 Å²	128	55.1 Å²	55.1	60%	0.598	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.7	-179.7	-168.2	173.1	-0.3	0	0	112	Q81	Q81-Q217 VanDerWaalsContact CG-O 3.27Å; Q81-Q217 WeakPolarHBondContact CG-O 3.24Å; Q81-Q217 PolarHBondContact N-O 3.27Å
218	D	96.9	Very high	97.9	Very high	97 Å²	97	55.1 Å²	55.1	52%	0.519	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	22.7	-176.7	66.5	-25.6	0	0	0	114.2	R216 S220	R216-D218 WeakPolarHBondContact CB-OD1 3.34Å; R216-D218 IonicContact NE-OD1 3.99Å; R216-D218 PolarHBondContact O-N 3.37Å; D218-S220 PolarHBondContact O-N 3.28Å
219	L	97.9	Very high	97.9	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	29%	0.293	C	S	.	.			trans	-59.4	137.2	173.7	-72	165.8	0	0	0	111.2	F78 F80 Y215 R216 E223 A224 L227	F78-L219 HydrophobicContact CE2-CD1 4.45Å; F80-L219 HydrophobicContact CD2-CB 4.35Å; F80-L219 WeakPolarHBondContact CD2-O 3.22Å; Y215-L219 HydrophobicContact CD2-CD1 4.43Å; R216-L219 HydrophobicContact CB-CD2 4.42Å; R216-L219 HydrophobicContact CB-CG 4.12Å; R216-L219 VanDerWaalsContact O-CD1 3.28Å; R216-L219 WeakPolarHBondContact O-CD1 3.48Å; R216-L219 WeakPolarHBondContact O-CG 3.36Å; L219-E223 HydrophobicContact CB-CB 4.46Å; L219-E223 HydrophobicContact CD2-CB 3.74Å; L219-A224 HydrophobicContact CB-CB 4.25Å; L219-A224 HydrophobicContact CD1-CB 4.49Å; L219-L227 HydrophobicContact CD1-CD2 3.89Å
220	S	98.4	Very high	97.8	Very high	43 Å²	43	56.1 Å²	56.1	30%	0.301	29%	0.286	S	S	.	.			trans	-66.5	158	163.9	65.5	0	0	0	0	110.6	D218 E222 E223 A224	D218-S220 PolarHBondContact O-N 3.28Å; S220-E222 VanDerWaalsContact C-N 3.28Å; S220-E222 PolarHBondContact O-N 3.32Å; S220-E223 WeakPolarHBondContact CB-OE2 3.31Å; S220-E223 PolarHBondContact N-OE2 3.01Å; S220-E223 PolarHBondContact O-N 3.27Å; S220-E223 VanDerWaalsContact OG-CG 3.23Å; S220-E223 WeakPolarHBondContact OG-CG 3.28Å; S220-E223 PolarHBondContact OG-N 3.18Å; S220-E223 PolarHBondContact OG-OE2 3.12Å; S220-A224 PolarHBondContact O-N 3.11Å
221	P	98	Very high	97.9	Very high	41 Å²	41	54.5 Å²	54.5	27%	0.266	28%	0.276	S	S	.	.	H	α-helix	trans	-54.7	-42.1	178.6	-27.8	36.2	0	0	0	113.4	H82 A224 Y225	H82-P221 HydrophobicContact CB-CG 4.41Å; P221-A224 PolarHBondContact O-N 2.95Å; P221-Y225 HydrophobicContact CB-CE2 4.17Å; P221-Y225 WeakPolarHBondContact O-CD1 3.1Å; P221-Y225 VanDerWaalsContact O-CD2 3.28Å; P221-Y225 WeakPolarHBondContact O-CD2 3.25Å; P221-Y225 PolarHBondContact O-N 3.28Å
222	E	98.2	Very high	97.9	Very high	132 Å²	132	54.5 Å²	54.5	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-67.5	-39.3	180	-62.6	-55.3	138.1	0	0	112.8	S220 A224 Y225 D226	S220-E222 VanDerWaalsContact C-N 3.28Å; S220-E222 PolarHBondContact O-N 3.32Å; E222-A224 VanDerWaalsContact C-N 3.35Å; E222-Y225 PolarHBondContact O-N 3.29Å; E222-D226 PolarHBondContact O-N 3.38Å
223	E	98.3	Very high	97.9	Very high	81 Å²	81	49.9 Å²	49.9	38%	0.379	25%	0.252	S	S	.	.	H	α-helix	trans	-66.2	-38.9	174.1	-69.6	170.8	115.4	0	0	111.6	R216 L219 S220 D226 L227	R216-E223 IonicContact CZ-OE1 3.17Å; R216-E223 IonicContact NH2-OE1 2.86Å; R216-E223 PolarHBondContact NH2-OE1 2.92Å; R216-E223 IonicContact NH2-OE2 2.83Å; L219-E223 HydrophobicContact CB-CB 4.46Å; L219-E223 HydrophobicContact CD2-CB 3.74Å; S220-E223 WeakPolarHBondContact CB-OE2 3.31Å; S220-E223 PolarHBondContact N-OE2 3.01Å; S220-E223 PolarHBondContact O-N 3.27Å; S220-E223 VanDerWaalsContact OG-CG 3.23Å; S220-E223 WeakPolarHBondContact OG-CG 3.28Å; S220-E223 PolarHBondContact OG-N 3.18Å; S220-E223 PolarHBondContact OG-OE2 3.12Å; E223-D226 PolarHBondContact O-N 2.79Å; E223-L227 WeakPolarHBondContact O-CB 3.05Å; E223-L227 PolarHBondContact O-N 3.37Å
224	A	98.5	Very high	97.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-39.8	176.1	0	0	0	0	0	111.6	F78 F80 I85 L219 S220 P221 E222 L227 G228	F78-A224 HydrophobicContact CE2-CB 4.1Å; F78-A224 HydrophobicContact CZ-CB 4.22Å; F80-A224 HydrophobicContact CD2-CB 4.08Å; F80-A224 HydrophobicContact CE1-CB 4.42Å; F80-A224 HydrophobicContact CE2-CB 3.82Å; F80-A224 HydrophobicContact CG-CB 4.45Å; F80-A224 HydrophobicContact CZ-CB 4.02Å; I85-A224 HydrophobicContact CD1-CB 4.42Å; I85-A224 HydrophobicContact CG1-CB 3.93Å; L219-A224 HydrophobicContact CB-CB 4.25Å; L219-A224 HydrophobicContact CD1-CB 4.49Å; S220-A224 PolarHBondContact O-N 3.11Å; P221-A224 PolarHBondContact O-N 2.95Å; E222-A224 VanDerWaalsContact C-N 3.35Å; A224-L227 PolarHBondContact O-N 3.29Å; A224-G228 PolarHBondContact O-N 3.43Å
225	Y	98.5	Very high	98	Very high	23 Å²	23	47.9 Å²	47.9	9%	0.09	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-46.4	173.4	-60.4	-19.1	0	0	0	111.4	I85 P221 E222 L227 G228 R229 M248 H250 V259	I85-Y225 HydrophobicContact CD1-CD1 3.7Å; I85-Y225 HydrophobicContact CD1-CE1 3.62Å; P221-Y225 HydrophobicContact CB-CE2 4.17Å; P221-Y225 WeakPolarHBondContact O-CD1 3.1Å; P221-Y225 VanDerWaalsContact O-CD2 3.28Å; P221-Y225 WeakPolarHBondContact O-CD2 3.25Å; P221-Y225 PolarHBondContact O-N 3.28Å; E222-Y225 PolarHBondContact O-N 3.29Å; Y225-L227 PolarHBondContact O-N 3.26Å; Y225-G228 PolarHBondContact O-N 2.92Å; Y225-R229 WeakPolarHBondContact O-CB 3.35Å; Y225-R229 PolarHBondContact O-N 3.12Å; Y225-M248 HydrophobicContact CD1-CE 4.18Å; Y225-M248 HydrophobicContact CD1-SD 4.41Å; Y225-M248 HydrophobicContact CG-CE 4.02Å; Y225-M248 WeakPolarHBondContact O-CE 3.42Å; Y225-H250 HydrophobicContact CE1-CB 4.02Å; Y225-H250 AromaticContact CE1-CG 3.99Å; Y225-H250 AromaticContact CE1-ND1 3.56Å; Y225-H250 AromaticContact CZ-ND1 3.62Å; Y225-H250 PolarHBondContact OH-ND1 2.77Å; Y225-V259 HydrophobicContact CD1-CG1 4.2Å; Y225-V259 HydrophobicContact CD1-CG2 4.35Å; Y225-V259 HydrophobicContact CD2-CG1 4Å; Y225-V259 HydrophobicContact CE1-CG1 4.29Å; Y225-V259 HydrophobicContact CE1-CG2 3.9Å; Y225-V259 HydrophobicContact CE2-CG1 4.09Å; Y225-V259 HydrophobicContact CG-CG1 4.07Å
226	D	98.2	Very high	98	Very high	44 Å²	44	45.7 Å²	45.7	24%	0.235	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-41	178.7	-163.9	51.9	0	0	0	112.1	E222 E223 R229 R230	E222-D226 PolarHBondContact O-N 3.38Å; E223-D226 PolarHBondContact O-N 2.79Å; D226-R229 PolarHBondContact O-N 3.5Å; D226-R229 IonicContact OD1-NH1 2.61Å; D226-R229 PolarHBondContact OD1-NH1 2.68Å; D226-R229 VanDerWaalsContact OD1-NH1 3.1Å; D226-R230 WeakPolarHBondContact O-CB 3.08Å; D226-R230 VanDerWaalsContact O-CG 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.48Å; D226-R230 PolarHBondContact O-N 2.83Å; D226-R230 IonicContact OD1-NE 3.71Å; D226-R230 IonicContact OD2-CZ 2.72Å; D226-R230 IonicContact OD2-NE 3.36Å; D226-R230 PolarHBondContact OD2-NE 2.99Å; D226-R230 IonicContact OD2-NH2 3.1Å; D226-R230 PolarHBondContact OD2-NH2 3.18Å
227	L	98.4	Very high	98	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-51.3	175.8	-177	63.2	0	0	0	111.8	F78 L219 E223 A224 Y225 R229 R230 A231	F78-L227 HydrophobicContact CE2-CD2 4.5Å; F78-L227 HydrophobicContact CZ-CD2 4.17Å; L219-L227 HydrophobicContact CD1-CD2 3.89Å; E223-L227 WeakPolarHBondContact O-CB 3.05Å; E223-L227 PolarHBondContact O-N 3.37Å; A224-L227 PolarHBondContact O-N 3.29Å; Y225-L227 PolarHBondContact O-N 3.26Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.08Å; L227-R230 PolarHBondContact O-N 3.18Å; L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.45Å; L227-A231 PolarHBondContact O-N 2.79Å
228	G	98.3	Very high	98.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-42.8	179.3	0	0	0	0	0	112.2	A224 Y225 A231 I232	A224-G228 PolarHBondContact O-N 3.43Å; Y225-G228 PolarHBondContact O-N 2.92Å; G228-A231 PolarHBondContact O-N 3.24Å; G228-I232 PolarHBondContact O-N 2.99Å
229	R	98.3	Very high	98.1	Very high	39 Å²	39	44.5 Å²	44.5	15%	0.147	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-48.8	176.9	-173.7	-166.1	-59.3	131.1	-3.8	112.3	Y225 D226 L227 A233 E260 L267 Y271	Y225-R229 WeakPolarHBondContact O-CB 3.35Å; Y225-R229 PolarHBondContact O-N 3.12Å; D226-R229 PolarHBondContact O-N 3.5Å; D226-R229 IonicContact OD1-NH1 2.61Å; D226-R229 PolarHBondContact OD1-NH1 2.68Å; D226-R229 VanDerWaalsContact OD1-NH1 3.1Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.08Å; R229-A233 VanDerWaalsContact O-CB 3.31Å; R229-A233 WeakPolarHBondContact O-CB 3.34Å; R229-A233 PolarHBondContact O-N 2.57Å; R229-E260 WeakPolarHBondContact CG-OE1 3.39Å; R229-E260 IonicContact CZ-OE1 3.76Å; R229-E260 IonicContact CZ-OE2 2.71Å; R229-E260 IonicContact NE-OE1 3.56Å; R229-E260 PolarHBondContact NE-OE1 3.24Å; R229-E260 IonicContact NE-OE2 3.72Å; R229-E260 PolarHBondContact NE-OE2 3.01Å; R229-E260 VanDerWaalsContact NE-OE2 3.17Å; R229-E260 IonicContact NH2-OE1 2.8Å; R229-E260 IonicContact NH2-OE2 3.17Å; R229-E260 PolarHBondContact NH2-OE2 3.48Å; R229-L267 HydrophobicContact CG-CD1 3.56Å; R229-L267 HydrophobicContact CG-CD2 4.27Å; R229-Y271 WeakPolarHBondContact CD-OH 3.48Å
230	R	98.1	Very high	97.9	Very high	98 Å²	98	49.2 Å²	49.2	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-42.6	178.1	-75.2	179.5	-169.1	-139.1	11.4	111.8	V210 D226 L227 I232 A233 Y234 Y271	V210-R230 HydrophobicContact CG1-CB 4.24Å; D226-R230 WeakPolarHBondContact O-CB 3.08Å; D226-R230 VanDerWaalsContact O-CG 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.48Å; D226-R230 PolarHBondContact O-N 2.83Å; D226-R230 IonicContact OD1-NE 3.71Å; D226-R230 IonicContact OD2-CZ 2.72Å; D226-R230 IonicContact OD2-NE 3.36Å; D226-R230 PolarHBondContact OD2-NE 2.99Å; D226-R230 IonicContact OD2-NH2 3.1Å; D226-R230 PolarHBondContact OD2-NH2 3.18Å; L227-R230 PolarHBondContact O-N 3.18Å; R230-I232 PolarHBondContact O-N 3.31Å; R230-A233 PolarHBondContact O-N 3.34Å; R230-Y234 HydrophobicContact CB-CD2 4.15Å; R230-Y234 HydrophobicContact CB-CE2 4.07Å; R230-Y234 HydrophobicContact CG-CE2 4.32Å; R230-Y234 WeakPolarHBondContact O-CD2 3.24Å; R230-Y234 PolarHBondContact O-N 3.37Å; R230-Y271 HydrophobicContact CG-CE1 4.34Å; R230-Y271 HydrophobicContact CG-CE2 4Å
231	A	98.4	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-45	-179	0	0	0	0	0	111.9	L76 V210 M211 L227 G228 A235	L76-A231 HydrophobicContact CD2-CB 3.47Å; L76-A231 VanDerWaalsContact CD2-CB 3.47Å; V210-A231 HydrophobicContact CB-CB 4.09Å; V210-A231 HydrophobicContact CG1-CB 4.05Å; M211-A231 HydrophobicContact CB-CB 4.31Å; L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.45Å; L227-A231 PolarHBondContact O-N 2.79Å; G228-A231 PolarHBondContact O-N 3.24Å; A231-A235 VanDerWaalsContact O-CB 3.29Å; A231-A235 WeakPolarHBondContact O-CB 3.46Å; A231-A235 PolarHBondContact O-N 3.36Å; A231-A235 VanDerWaalsContact O-N 3.11Å
232	I	98.5	Very high	97.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-47.5	172.8	-63.3	-62.1	0	0	0	111.2	T74 L76 A87 D89 G228 R230 Y234 A235 T236 V246	T74-I232 HydrophobicContact CG2-CD1 3.69Å; L76-I232 HydrophobicContact CD2-CD1 3.57Å; L76-I232 HydrophobicContact CD2-CG1 3.79Å; L76-I232 HydrophobicContact CG-CD1 3.85Å; L76-I232 HydrophobicContact CG-CG1 4.19Å; A87-I232 HydrophobicContact CB-CG1 3.77Å; D89-I232 HydrophobicContact CB-CG2 4.02Å; G228-I232 PolarHBondContact O-N 2.99Å; R230-I232 PolarHBondContact O-N 3.31Å; I232-Y234 PolarHBondContact O-N 3.32Å; I232-A235 PolarHBondContact O-N 3.36Å; I232-A235 VanDerWaalsContact O-N 3.15Å; I232-T236 HydrophobicContact CG2-CG2 4.04Å; I232-T236 VanDerWaalsContact O-CG2 3.28Å; I232-T236 WeakPolarHBondContact O-CG2 3.11Å; I232-T236 PolarHBondContact O-N 3.24Å; I232-T236 PolarHBondContact O-OG1 3.28Å; I232-V246 HydrophobicContact CB-CG1 4.06Å; I232-V246 HydrophobicContact CB-CG2 4.17Å; I232-V246 HydrophobicContact CG1-CG1 4.35Å; I232-V246 HydrophobicContact CG2-CB 4.4Å; I232-V246 HydrophobicContact CG2-CG1 4.13Å; I232-V246 HydrophobicContact CG2-CG2 3.74Å
233	A	98.2	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-46.9	-177.3	0	0	0	0	0	112.3	R229 R230 T236 H237 L268 Y271	R229-A233 VanDerWaalsContact O-CB 3.31Å; R229-A233 WeakPolarHBondContact O-CB 3.34Å; R229-A233 PolarHBondContact O-N 2.57Å; R230-A233 PolarHBondContact O-N 3.34Å; A233-T236 PolarHBondContact O-N 2.62Å; A233-T236 PolarHBondContact O-OG1 3.26Å; A233-H237 PolarHBondContact O-N 3Å; A233-H237 VanDerWaalsContact O-N 3.09Å; A233-L268 HydrophobicContact CB-CD2 4.2Å; A233-Y271 HydrophobicContact CB-CE2 4.12Å
234	Y	98.1	Very high	97.5	Very high	87 Å²	87	39.4 Å²	39.4	34%	0.341	18%	0.175	S	C	.	.	H	α-helix	trans	-71.2	-31.7	177.8	-69.8	-57.6	0	0	0	113.2	V210 R230 I232 H237 R238 L268	V210-Y234 HydrophobicContact CG1-CD2 4.27Å; V210-Y234 HydrophobicContact CG2-CD2 4Å; V210-Y234 HydrophobicContact CG2-CG 4.36Å; R230-Y234 HydrophobicContact CB-CD2 4.15Å; R230-Y234 HydrophobicContact CB-CE2 4.07Å; R230-Y234 HydrophobicContact CG-CE2 4.32Å; R230-Y234 WeakPolarHBondContact O-CD2 3.24Å; R230-Y234 PolarHBondContact O-N 3.37Å; I232-Y234 PolarHBondContact O-N 3.32Å; Y234-H237 WeakPolarHBondContact O-CB 3.44Å; Y234-H237 PolarHBondContact O-N 3.41Å; Y234-R238 PolarHBondContact O-N 3.44Å; Y234-L268 HydrophobicContact CD1-CD2 4.32Å; Y234-L268 HydrophobicContact CE1-CD2 4.47Å
235	A	98.1	Very high	97.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-47	171.6	0	0	0	0	0	111.3	T74 A207 A231 I232 H237 R238 D239	T74-A235 HydrophobicContact CG2-CB 3.77Å; A207-A235 HydrophobicContact CB-CB 4.2Å; A231-A235 VanDerWaalsContact O-CB 3.29Å; A231-A235 WeakPolarHBondContact O-CB 3.46Å; A231-A235 PolarHBondContact O-N 3.36Å; A231-A235 VanDerWaalsContact O-N 3.11Å; I232-A235 PolarHBondContact O-N 3.36Å; I232-A235 VanDerWaalsContact O-N 3.15Å; A235-H237 PolarHBondContact O-N 3.19Å; A235-R238 PolarHBondContact O-N 2.85Å; A235-R238 VanDerWaalsContact O-N 3.08Å; A235-D239 WeakPolarHBondContact O-CB 3.18Å; A235-D239 PolarHBondContact O-N 3.4Å
236	T	97.6	Very high	97.4	Very high	15 Å²	15	38.7 Å²	38.7	9%	0.092	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-21.3	176.6	62.1	0	0	0	0	113.9	D89 I232 A233 R238 V264	D89-T236 HydrophobicContact CB-CG2 3.87Å; I232-T236 HydrophobicContact CG2-CG2 4.04Å; I232-T236 VanDerWaalsContact O-CG2 3.28Å; I232-T236 WeakPolarHBondContact O-CG2 3.11Å; I232-T236 PolarHBondContact O-N 3.24Å; I232-T236 PolarHBondContact O-OG1 3.28Å; A233-T236 PolarHBondContact O-N 2.62Å; A233-T236 PolarHBondContact O-OG1 3.26Å; T236-R238 VanDerWaalsContact C-N 3.33Å; T236-V264 HydrophobicContact CG2-CG2 4.3Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.48Å
237	H	97.5	Very high	97.4	Very high	121 Å²	121	37 Å²	37	56%	0.56	16%	0.164	S	C	*	.	H	α-helix	trans	-73	-27.6	174.3	-172.6	63.9	0	0	0	112.5	A233 Y234 A235 L268	A233-H237 PolarHBondContact O-N 3Å; A233-H237 VanDerWaalsContact O-N 3.09Å; Y234-H237 WeakPolarHBondContact O-CB 3.44Å; Y234-H237 PolarHBondContact O-N 3.41Å; A235-H237 PolarHBondContact O-N 3.19Å; H237-L268 HydrophobicContact CB-CD1 4.07Å; H237-L268 HydrophobicContact CB-CD2 4.25Å
238	R	97.3	Very high	97.5	Very high	180 Å²	180	36.2 Å²	36.2	68%	0.679	16%	0.16	S	C	*	.	H	α-helix	trans	-102.8	-40.4	-177.4	-66.7	-63.1	-172.3	168	-0.8	113.2	Y206 Y234 A235 T236	Y206-R238 HydrophobicContact CD1-CB 3.77Å; Y206-R238 HydrophobicContact CD1-CG 4.1Å; Y206-R238 HydrophobicContact CD2-CB 3.95Å; Y206-R238 HydrophobicContact CE1-CB 3.71Å; Y206-R238 HydrophobicContact CE1-CG 4.21Å; Y206-R238 HydrophobicContact CE2-CB 3.9Å; Y206-R238 HydrophobicContact CG-CB 3.89Å; Y234-R238 PolarHBondContact O-N 3.44Å; A235-R238 PolarHBondContact O-N 2.85Å; A235-R238 VanDerWaalsContact O-N 3.08Å; T236-R238 VanDerWaalsContact C-N 3.33Å
239	D	96.7	Very high	97.5	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.064	16%	0.16	C	C	.	.			trans	-84.4	119.6	179.4	-179.7	32.4	0	0	0	111	S202 G203 Y206 A235 Y241 S242	S202-D239 WeakPolarHBondContact CB-OD2 3.49Å; S202-D239 PolarHBondContact OG-OD2 3.01Å; G203-D239 PolarHBondContact N-OD2 3Å; Y206-D239 HydrophobicContact CD2-CB 4.08Å; Y206-D239 HydrophobicContact CE2-CB 3.99Å; A235-D239 WeakPolarHBondContact O-CB 3.18Å; A235-D239 PolarHBondContact O-N 3.4Å; D239-Y241 PolarHBondContact O-N 2.97Å; D239-Y241 PolarHBondContact OD1-N 2.99Å; D239-S242 PolarHBondContact O-N 3.49Å; D239-S242 VanDerWaalsContact OD2-CB 3.31Å; D239-S242 WeakPolarHBondContact OD2-CB 3.41Å; D239-S242 PolarHBondContact OD2-N 3.04Å; D239-S242 PolarHBondContact OD2-OG 2.82Å
240	N	93.4	Very high	97.5	Very high	102 Å²	102	34.5 Å²	34.5	55%	0.545	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.8	-177.1	60.6	-37.2	0	0	0	112.9	R91	R91-N240 PolarHBondContact NH1-O 3.13Å
241	Y	94.4	Very high	97.5	Very high	74 Å²	74	29.9 Å²	29.9	29%	0.29	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.5	-177.3	-53.1	-71.8	0	0	0	114.6	G72 R91 T93 D239	G72-Y241 CarbonylContact C-O 3.59Å; R91-Y241 WeakPolarHBondContact CD-O 3.19Å; T93-Y241 HydrophobicContact CG2-CD1 4.13Å; D239-Y241 PolarHBondContact O-N 2.97Å; D239-Y241 PolarHBondContact OD1-N 2.99Å
242	S	96.5	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.151	C	C	.	.			trans	-103.9	145.8	174	-62	0	0	0	0	111.1	T73 T74 D89 R91 D239	T73-S242 PolarHBondContact O-OG 2.72Å; T74-S242 PolarHBondContact N-OG 3.35Å; T74-S242 VanDerWaalsContact N-OG 3.15Å; T74-S242 WeakPolarHBondContact OG1-CB 3.46Å; T74-S242 PolarHBondContact OG1-OG 3Å; D89-S242 VanDerWaalsContact OD2-CA 3.31Å; D89-S242 WeakPolarHBondContact OD2-CA 3.29Å; R91-S242 PolarHBondContact NH1-O 3.31Å; D239-S242 PolarHBondContact O-N 3.49Å; D239-S242 VanDerWaalsContact OD2-CB 3.31Å; D239-S242 WeakPolarHBondContact OD2-CB 3.41Å; D239-S242 PolarHBondContact OD2-N 3.04Å; D239-S242 PolarHBondContact OD2-OG 2.82Å
243	G	96.6	Very high	97.4	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.031	18%	0.183	C	C	.	.			trans	163.6	-159.1	176.6	0	0	0	0	0	114.7	D89 S90 R91	D89-G243 PolarHBondContact OD2-N 3.07Å; S90-G243 PolarHBondContact N-O 3.06Å; R91-G243 PolarHBondContact N-O 2.92Å
244	G	97.1	Very high	97.3	Very high	14 Å²	14	46 Å²	46	14%	0.144	21%	0.214	C	C	.	.	S	Bend	trans	85.8	-117.1	-179.6	0	0	0	0	0	111.6	L101 V264	L101-G244 WeakPolarHBondContact O-CA 3.32Å; G244-V264 VanDerWaalsContact O-CB 3.23Å; G244-V264 WeakPolarHBondContact O-CB 3.33Å; G244-V264 WeakPolarHBondContact O-CG2 3.09Å; G244-V264 PolarHBondContact O-N 3.24Å
245	V	98.2	Very high	97.2	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.7	178.4	-54.7	0	0	0	0	110.5	D89 S90 R102 S262	D89-V245 CarbonylContact C-O 3.49Å; S90-V245 PolarHBondContact N-O 3.21Å; S90-V245 WeakPolarHBondContact OG-CG2 3.19Å; S90-V245 PolarHBondContact OG-N 2.83Å; S90-V245 PolarHBondContact OG-O 3.46Å; R102-V245 HydrophobicContact CG-CG1 4.38Å; V245-S262 CarbonylContact C-O 3.59Å; V245-S262 VanDerWaalsContact CA-O 3.24Å; V245-S262 WeakPolarHBondContact CA-O 3.29Å; V245-S262 WeakPolarHBondContact CB-O 3.41Å
246	V	98.4	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.4	167.2	-174	0	0	0	0	107.8	V88 I232 S261 S262 V264 L267	V88-V246 WeakPolarHBondContact O-CA 3.18Å; I232-V246 HydrophobicContact CB-CG1 4.06Å; I232-V246 HydrophobicContact CB-CG2 4.17Å; I232-V246 HydrophobicContact CG1-CG1 4.35Å; I232-V246 HydrophobicContact CG2-CB 4.4Å; I232-V246 HydrophobicContact CG2-CG1 4.13Å; I232-V246 HydrophobicContact CG2-CG2 3.74Å; V246-S261 CarbonylContact O-C 3.51Å; V246-S261 VanDerWaalsContact O-CA 3.28Å; V246-S261 WeakPolarHBondContact O-CA 3.34Å; V246-S262 PolarHBondContact N-O 3.46Å; V246-S262 PolarHBondContact O-N 3.43Å; V246-V264 HydrophobicContact CG2-CG2 3.68Å; V246-L267 HydrophobicContact CG2-CD1 3.9Å
247	N	98.4	Very high	97.2	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.1	167.7	-69.4	-68.2	0	0	0	108.7	A87 V88 Y249 S261	A87-N247 WeakPolarHBondContact CA-O 3.34Å; V88-N247 HydrophobicContact CG2-CB 3.9Å; V88-N247 PolarHBondContact N-O 3.33Å; V88-N247 PolarHBondContact O-N 3.26Å; N247-Y249 HydrophobicContact CB-CE2 4.35Å; N247-S261 WeakPolarHBondContact OD1-CB 3.34Å; N247-S261 PolarHBondContact OD1-OG 3.23Å
248	M	98.5	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136	-179.8	-173	162.9	55.3	0	0	111.3	I85 V86 A87 Y225 V259 E260	I85-M248 HydrophobicContact CG2-CG 4.04Å; I85-M248 HydrophobicContact CG2-SD 3.85Å; V86-M248 CarbonylContact O-C 3.48Å; V86-M248 WeakPolarHBondContact O-CA 3.49Å; A87-M248 HydrophobicContact CB-CB 4.49Å; A87-M248 HydrophobicContact CB-CG 4.28Å; A87-M248 HydrophobicContact CB-SD 4.49Å; Y225-M248 HydrophobicContact CD1-CE 4.18Å; Y225-M248 HydrophobicContact CD1-SD 4.41Å; Y225-M248 HydrophobicContact CG-CE 4.02Å; Y225-M248 WeakPolarHBondContact O-CE 3.42Å; M248-V259 HydrophobicContact CB-CB 4.44Å; M248-V259 HydrophobicContact CE-CB 4.35Å; M248-V259 HydrophobicContact CE-CG1 3.94Å; M248-V259 HydrophobicContact CG-CB 4.39Å; M248-V259 PolarHBondContact O-N 3.13Å; M248-E260 HydrophobicContact CB-CG 3.89Å; M248-E260 HydrophobicContact CE-CG 3.72Å; M248-E260 PolarHBondContact N-O 3.19Å; M248-E260 VanDerWaalsContact N-O 3.1Å; M248-E260 PolarHBondContact O-N 3.25Å
249	Y	98.8	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.3	178.7	-70.8	-108	0	0	0	109.2	V86 V106 E108 L114 N247 W256 V257 K258	V86-Y249 PolarHBondContact N-O 3.32Å; V86-Y249 PolarHBondContact O-N 2.81Å; V106-Y249 HydrophobicContact CB-CD2 4.03Å; V106-Y249 HydrophobicContact CB-CE2 3.7Å; V106-Y249 HydrophobicContact CG1-CD2 4.02Å; V106-Y249 HydrophobicContact CG1-CE1 4.47Å; V106-Y249 HydrophobicContact CG1-CE2 4Å; V106-Y249 HydrophobicContact CG1-CG 4.29Å; V106-Y249 HydrophobicContact CG2-CD2 3.76Å; V106-Y249 HydrophobicContact CG2-CE2 3.78Å; E108-Y249 HydrophobicContact CG-CE1 4.35Å; E108-Y249 PolarHBondContact OE1-OH 3.5Å; L114-Y249 HydrophobicContact CD1-CD1 4.01Å; L114-Y249 HydrophobicContact CD1-CG 4.05Å; L114-Y249 HydrophobicContact CD2-CD1 4.38Å; N247-Y249 HydrophobicContact CB-CE2 4.35Å; Y249-W256 HydrophobicContact CD1-CD2 4.28Å; Y249-W256 AromaticContact CD1-CE3 3.59Å; Y249-W256 HydrophobicContact CD1-CE3 3.59Å; Y249-W256 AromaticContact CD1-CZ3 3.99Å; Y249-W256 HydrophobicContact CD1-CZ3 3.99Å; Y249-W256 AromaticContact CE1-CE3 3.74Å; Y249-W256 HydrophobicContact CE1-CE3 3.74Å; Y249-W256 HydrophobicContact CE1-CH2 4.34Å; Y249-W256 AromaticContact CE1-CZ3 3.63Å; Y249-W256 HydrophobicContact CE1-CZ3 3.63Å; Y249-V257 WeakPolarHBondContact CA-O 3.36Å; Y249-K258 HydrophobicContact CD1-CB 4.13Å; Y249-K258 HydrophobicContact CD1-CG 4.44Å; Y249-K258 HydrophobicContact CE1-CB 3.89Å; Y249-K258 HydrophobicContact CE1-CD 4.32Å; Y249-K258 HydrophobicContact CE1-CG 4.07Å; Y249-K258 HydrophobicContact CE2-CD 4.4Å; Y249-K258 HydrophobicContact CE2-CG 4.24Å
250	H	98.7	Very high	97.2	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115	175.5	178.7	-175.4	0	0	0	108.7	F80 H82 I85 Y225 K252 W256 V257 V259	F80-H250 AromaticContact CE1-NE2 3.75Å; F80-H250 AromaticContact CZ-CE1 3.9Å; F80-H250 AromaticContact CZ-NE2 3.57Å; H82-H250 PolarHBondContact O-NE2 3.35Å; H82-H250 VanDerWaalsContact O-NE2 3.12Å; I85-H250 HydrophobicContact CD1-CB 4.01Å; Y225-H250 HydrophobicContact CE1-CB 4.02Å; Y225-H250 AromaticContact CE1-CG 3.99Å; Y225-H250 AromaticContact CE1-ND1 3.56Å; Y225-H250 AromaticContact CZ-ND1 3.62Å; Y225-H250 PolarHBondContact OH-ND1 2.77Å; H250-K252 WeakPolarHBondContact ND1-CE 3.32Å; H250-W256 CarbonylContact O-C 3.55Å; H250-W256 WeakPolarHBondContact O-CA 3.48Å; H250-V257 HydrophobicContact CB-CG2 3.94Å; H250-V257 PolarHBondContact N-O 3.2Å; H250-V257 PolarHBondContact O-N 3.24Å; H250-V259 HydrophobicContact CB-CG2 3.57Å
251	M	98.5	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.5	172.6	-175	63.5	64.6	0	0	110.2	G83 V84 L114 W176 W256	G83-M251 WeakPolarHBondContact CA-O 3.48Å; V84-M251 HydrophobicContact CB-CB 4.03Å; V84-M251 HydrophobicContact CG2-CB 4.45Å; V84-M251 PolarHBondContact N-O 3.1Å; V84-M251 VanDerWaalsContact N-O 3.08Å; V84-M251 PolarHBondContact O-N 2.7Å; L114-M251 HydrophobicContact CB-CE 4.23Å; L114-M251 HydrophobicContact CD1-CE 3.97Å; L114-M251 HydrophobicContact CG-CE 3.7Å; W176-M251 HydrophobicContact CB-CG 4.4Å; M251-W256 HydrophobicContact CE-CB 3.72Å; M251-W256 HydrophobicContact CE-CG 4.27Å; M251-W256 HydrophobicContact SD-CB 4.05Å
252	K	97.9	Very high	97.5	Very high	75 Å²	75	36.7 Å²	36.7	33%	0.326	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	177.8	174.8	-61.4	-179.6	-178.8	-178.9	0	110.4	W176 H250 D254 G255	W176-K252 WeakPolarHBondContact CB-O 3.31Å; H250-K252 WeakPolarHBondContact ND1-CE 3.32Å; K252-D254 VanDerWaalsContact C-N 3.29Å; K252-D254 VanDerWaalsContact CB-OD1 3.22Å; K252-D254 WeakPolarHBondContact CB-OD1 3.35Å; K252-D254 PolarHBondContact O-N 2.86Å; K252-G255 WeakPolarHBondContact CA-O 3.31Å; K252-G255 WeakPolarHBondContact CB-O 3.31Å; K252-G255 PolarHBondContact N-O 2.73Å; K252-G255 PolarHBondContact O-N 3.49Å
253	E	96.3	Very high	97.6	Very high	142 Å²	142	39.1 Å²	39.1	66%	0.664	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.6	177.5	-176.1	168	-156.6	0	0	113.2	W176 G255	W176-E253 VanDerWaalsContact CD2-CA 3.49Å; W176-E253 HydrophobicContact CD2-CB 4.01Å; W176-E253 HydrophobicContact CE3-CB 4.45Å; W176-E253 HydrophobicContact CG-CB 4.39Å; W176-E253 HydrophobicContact CH2-CB 4.35Å; W176-E253 HydrophobicContact CZ2-CB 3.9Å; W176-E253 HydrophobicContact CZ2-CG 4.4Å; E253-G255 VanDerWaalsContact C-N 3.33Å
254	D	95.6	Very high	97.7	Very high	122 Å²	122	39.5 Å²	39.5	65%	0.652	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2.6	180	64.2	-32.3	0	0	0	114	Y112 K252	Y112-D254 WeakPolarHBondContact CE1-O 3.46Å; K252-D254 VanDerWaalsContact C-N 3.29Å; K252-D254 VanDerWaalsContact CB-OD1 3.22Å; K252-D254 WeakPolarHBondContact CB-OD1 3.35Å; K252-D254 PolarHBondContact O-N 2.86Å
255	G	96.7	Very high	97.7	Very high	7 Å²	7	41.4 Å²	41.4	7%	0.072	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.2	-174.5	179.4	0	0	0	0	0	112.7	P111 K252 E253	P111-G255 WeakPolarHBondContact O-CA 3.28Å; K252-G255 WeakPolarHBondContact CA-O 3.31Å; K252-G255 WeakPolarHBondContact CB-O 3.31Å; K252-G255 PolarHBondContact N-O 2.73Å; K252-G255 PolarHBondContact O-N 3.49Å; E253-G255 VanDerWaalsContact C-N 3.33Å
256	W	98.3	Very high	97.6	Very high	58 Å²	58	46.1 Å²	46.1	22%	0.22	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	149.7	176.9	59.3	-98.5	0	0	0	112.4	E108 N110 P111 L114 Y249 H250 M251	E108-W256 HydrophobicContact CB-CH2 4.41Å; E108-W256 HydrophobicContact CB-CZ2 3.77Å; E108-W256 VanDerWaalsContact CD-CZ2 3.5Å; E108-W256 HydrophobicContact CG-CH2 3.73Å; E108-W256 HydrophobicContact CG-CZ2 3.51Å; E108-W256 VanDerWaalsContact OE2-CH2 3.27Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.37Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.42Å; N110-W256 PolarHBondContact O-NE1 2.8Å; P111-W256 VanDerWaalsContact C-CD1 3.41Å; P111-W256 PolarHBondContact O-N 3.09Å; P111-W256 VanDerWaalsContact O-N 3.08Å; L114-W256 HydrophobicContact CD1-CB 3.76Å; L114-W256 HydrophobicContact CD1-CG 3.99Å; L114-W256 HydrophobicContact CD2-CB 4.38Å; L114-W256 HydrophobicContact CD2-CD2 3.85Å; L114-W256 HydrophobicContact CD2-CG 3.68Å; L114-W256 HydrophobicContact CG-CB 4.07Å; L114-W256 HydrophobicContact CG-CD2 4.5Å; L114-W256 HydrophobicContact CG-CG 3.85Å; Y249-W256 HydrophobicContact CD1-CD2 4.28Å; Y249-W256 AromaticContact CD1-CE3 3.59Å; Y249-W256 HydrophobicContact CD1-CE3 3.59Å; Y249-W256 AromaticContact CD1-CZ3 3.99Å; Y249-W256 HydrophobicContact CD1-CZ3 3.99Å; Y249-W256 AromaticContact CE1-CE3 3.74Å; Y249-W256 HydrophobicContact CE1-CE3 3.74Å; Y249-W256 HydrophobicContact CE1-CH2 4.34Å; Y249-W256 AromaticContact CE1-CZ3 3.63Å; Y249-W256 HydrophobicContact CE1-CZ3 3.63Å; H250-W256 CarbonylContact O-C 3.55Å; H250-W256 WeakPolarHBondContact O-CA 3.48Å; M251-W256 HydrophobicContact CE-CB 3.72Å; M251-W256 HydrophobicContact CE-CG 4.27Å; M251-W256 HydrophobicContact SD-CB 4.05Å
257	V	98.3	Very high	97.6	Very high	56 Å²	56	46.9 Å²	46.9	34%	0.339	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.8	168.4	-61.7	0	0	0	0	109.6	Y249 H250 V259	Y249-V257 WeakPolarHBondContact CA-O 3.36Å; H250-V257 HydrophobicContact CB-CG2 3.94Å; H250-V257 PolarHBondContact N-O 3.2Å; H250-V257 PolarHBondContact O-N 3.24Å; V257-V259 HydrophobicContact CG2-CG2 4.48Å; V257-V259 PolarHBondContact O-N 3.35Å
258	K	98.1	Very high	97.5	Very high	98 Å²	98	48.4 Å²	48.4	43%	0.426	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.1	169.1	-171.6	171.8	-173.9	168.7	0	108.1	Y249	Y249-K258 HydrophobicContact CD1-CB 4.13Å; Y249-K258 HydrophobicContact CD1-CG 4.44Å; Y249-K258 HydrophobicContact CE1-CB 3.89Å; Y249-K258 HydrophobicContact CE1-CD 4.32Å; Y249-K258 HydrophobicContact CE1-CG 4.07Å; Y249-K258 HydrophobicContact CE2-CD 4.4Å; Y249-K258 HydrophobicContact CE2-CG 4.24Å
259	V	97.8	Very high	97.5	Very high	46 Å²	46	55 Å²	55	28%	0.279	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-52.1	-175.6	-179.1	0	0	0	0	110	Y225 M248 H250 V257	Y225-V259 HydrophobicContact CD1-CG1 4.2Å; Y225-V259 HydrophobicContact CD1-CG2 4.35Å; Y225-V259 HydrophobicContact CD2-CG1 4Å; Y225-V259 HydrophobicContact CE1-CG1 4.29Å; Y225-V259 HydrophobicContact CE1-CG2 3.9Å; Y225-V259 HydrophobicContact CE2-CG1 4.09Å; Y225-V259 HydrophobicContact CG-CG1 4.07Å; M248-V259 HydrophobicContact CB-CB 4.44Å; M248-V259 HydrophobicContact CE-CB 4.35Å; M248-V259 HydrophobicContact CE-CG1 3.94Å; M248-V259 HydrophobicContact CG-CB 4.39Å; M248-V259 PolarHBondContact O-N 3.13Å; H250-V259 HydrophobicContact CB-CG2 3.57Å; V257-V259 HydrophobicContact CG2-CG2 4.48Å; V257-V259 PolarHBondContact O-N 3.35Å
260	E	95.1	Very high	97.4	Very high	32 Å²	32	61.3 Å²	61.3	15%	0.15	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	166.7	-176	59.7	176.9	-137.3	0	0	113.3	R229 M248 S262	R229-E260 WeakPolarHBondContact CG-OE1 3.39Å; R229-E260 IonicContact CZ-OE1 3.76Å; R229-E260 IonicContact CZ-OE2 2.71Å; R229-E260 IonicContact NE-OE1 3.56Å; R229-E260 PolarHBondContact NE-OE1 3.24Å; R229-E260 IonicContact NE-OE2 3.72Å; R229-E260 PolarHBondContact NE-OE2 3.01Å; R229-E260 VanDerWaalsContact NE-OE2 3.17Å; R229-E260 IonicContact NH2-OE1 2.8Å; R229-E260 IonicContact NH2-OE2 3.17Å; R229-E260 PolarHBondContact NH2-OE2 3.48Å; M248-E260 HydrophobicContact CB-CG 3.89Å; M248-E260 HydrophobicContact CE-CG 3.72Å; M248-E260 PolarHBondContact N-O 3.19Å; M248-E260 VanDerWaalsContact N-O 3.1Å; M248-E260 PolarHBondContact O-N 3.25Å; E260-S262 VanDerWaalsContact CD-OG 3.3Å; E260-S262 PolarHBondContact OE1-OG 3.02Å
261	S	97.4	Very high	97.2	Very high	70 Å²	70	62.3 Å²	62.3	49%	0.49	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	81.5	170.2	-163.6	0	0	0	0	107.5	V246 N247	V246-S261 CarbonylContact O-C 3.51Å; V246-S261 VanDerWaalsContact O-CA 3.28Å; V246-S261 WeakPolarHBondContact O-CA 3.34Å; N247-S261 WeakPolarHBondContact OD1-CB 3.34Å; N247-S261 PolarHBondContact OD1-OG 3.23Å
262	S	97.3	Very high	97	Very high	28 Å²	28	70.8 Å²	70.8	20%	0.196	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.9	-168	-60.4	0	0	0	0	111	V245 V246 E260 V264	V245-S262 CarbonylContact C-O 3.59Å; V245-S262 VanDerWaalsContact CA-O 3.24Å; V245-S262 WeakPolarHBondContact CA-O 3.29Å; V245-S262 WeakPolarHBondContact CB-O 3.41Å; V246-S262 PolarHBondContact N-O 3.46Å; V246-S262 PolarHBondContact O-N 3.43Å; E260-S262 VanDerWaalsContact CD-OG 3.3Å; E260-S262 PolarHBondContact OE1-OG 3.02Å; S262-V264 PolarHBondContact O-N 3.35Å
263	D	98.3	Very high	96.9	Very high	51 Å²	51	73.8 Å²	73.8	27%	0.273	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.4	177.7	-163.3	-74	0	0	0	111.2	S265 D266 L267	D263-S265 VanDerWaalsContact C-N 3.25Å; D263-S265 PolarHBondContact O-N 2.97Å; D263-S265 WeakPolarHBondContact OD1-CB 3.44Å; D263-S265 PolarHBondContact OD1-N 2.89Å; D263-D266 HydrophobicContact CB-CB 4.41Å; D263-D266 PolarHBondContact O-N 3.43Å; D263-L267 VanDerWaalsContact O-CG 3.31Å; D263-L267 WeakPolarHBondContact O-CG 3.49Å; D263-L267 PolarHBondContact O-N 2.89Å
264	V	97.5	Very high	96.6	Very high	11 Å²	11	71 Å²	71	7%	0.067	36%	0.364	C	S	.	.	H	α-helix	trans	-61.1	-37.2	-178.6	166.2	0	0	0	0	111.3	T236 G244 V246 S262 L267 L268	T236-V264 HydrophobicContact CG2-CG2 4.3Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.48Å; G244-V264 VanDerWaalsContact O-CB 3.23Å; G244-V264 WeakPolarHBondContact O-CB 3.33Å; G244-V264 WeakPolarHBondContact O-CG2 3.09Å; G244-V264 PolarHBondContact O-N 3.24Å; V246-V264 HydrophobicContact CG2-CG2 3.68Å; S262-V264 PolarHBondContact O-N 3.35Å; V264-L267 PolarHBondContact O-N 3.3Å; V264-L268 HydrophobicContact CG1-CD1 3.76Å; V264-L268 HydrophobicContact CG1-CG 4.19Å; V264-L268 WeakPolarHBondContact O-CG 3.23Å; V264-L268 PolarHBondContact O-N 3Å
265	S	97.1	Very high	95.9	Very high	54 Å²	54	69.4 Å²	69.4	38%	0.378	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-50	-178.7	-175.9	0	0	0	0	110.3	D263 L267 L268 Y269	D263-S265 VanDerWaalsContact C-N 3.25Å; D263-S265 PolarHBondContact O-N 2.97Å; D263-S265 WeakPolarHBondContact OD1-CB 3.44Å; D263-S265 PolarHBondContact OD1-N 2.89Å; S265-L267 VanDerWaalsContact C-N 3.28Å; S265-L267 PolarHBondContact O-N 2.97Å; S265-L268 PolarHBondContact O-N 3.3Å; S265-Y269 WeakPolarHBondContact O-CD2 3.26Å; S265-Y269 PolarHBondContact O-N 3.45Å; S265-Y269 WeakPolarHBondContact OG-CE2 3.25Å
266	D	97.8	Very high	94.3	Very high	109 Å²	109	78.6 Å²	78.6	58%	0.583	41%	0.413	S	S	*	.	H	α-helix	trans	-60.2	-40.7	179.6	-62.9	-17.6	0	0	0	111.4	D263 K270	D263-D266 HydrophobicContact CB-CB 4.41Å; D263-D266 PolarHBondContact O-N 3.43Å; D266-K270 VanDerWaalsContact O-CB 3.31Å; D266-K270 WeakPolarHBondContact O-CB 3.37Å; D266-K270 PolarHBondContact O-N 3.32Å
267	L	97.1	Very high	94.1	Very high	15 Å²	15	79.6 Å²	79.6	8%	0.079	42%	0.423	C	S	.	.	H	α-helix	trans	-63.2	-46.5	176.6	-67.1	176.6	0	0	0	112.4	R229 V246 D263 V264 S265 K270 Y271	R229-L267 HydrophobicContact CG-CD1 3.56Å; R229-L267 HydrophobicContact CG-CD2 4.27Å; V246-L267 HydrophobicContact CG2-CD1 3.9Å; D263-L267 VanDerWaalsContact O-CG 3.31Å; D263-L267 WeakPolarHBondContact O-CG 3.49Å; D263-L267 PolarHBondContact O-N 2.89Å; V264-L267 PolarHBondContact O-N 3.3Å; S265-L267 VanDerWaalsContact C-N 3.28Å; S265-L267 PolarHBondContact O-N 2.97Å; L267-K270 PolarHBondContact O-N 3.29Å; L267-Y271 HydrophobicContact CB-CE2 4.02Å; L267-Y271 WeakPolarHBondContact O-CD2 3.25Å; L267-Y271 PolarHBondContact O-N 3.39Å
268	L	97.1	Very high	93.9	Very high	39 Å²	39	80.8 Å²	80.8	20%	0.204	43%	0.428	C	S	.	.	H	α-helix	trans	-66.4	-39.2	-179.7	-70.8	175.4	0	0	0	112	A233 Y234 H237 V264 S265 Y271 R272	A233-L268 HydrophobicContact CB-CD2 4.2Å; Y234-L268 HydrophobicContact CD1-CD2 4.32Å; Y234-L268 HydrophobicContact CE1-CD2 4.47Å; H237-L268 HydrophobicContact CB-CD1 4.07Å; H237-L268 HydrophobicContact CB-CD2 4.25Å; V264-L268 HydrophobicContact CG1-CD1 3.76Å; V264-L268 HydrophobicContact CG1-CG 4.19Å; V264-L268 WeakPolarHBondContact O-CG 3.23Å; V264-L268 PolarHBondContact O-N 3Å; S265-L268 PolarHBondContact O-N 3.3Å; L268-Y271 PolarHBondContact O-N 3.02Å; L268-R272 WeakPolarHBondContact O-CB 3.36Å; L268-R272 PolarHBondContact O-N 3.25Å
269	Y	97.1	Very high	93.6	Very high	138 Å²	138	79.9 Å²	79.9	54%	0.541	43%	0.428	S	S	.	.	H	α-helix	trans	-62.9	-46.8	173.3	-78.3	-65.8	0	0	0	111.3	S265 Y271 R272 E273	S265-Y269 WeakPolarHBondContact O-CD2 3.26Å; S265-Y269 PolarHBondContact O-N 3.45Å; S265-Y269 WeakPolarHBondContact OG-CE2 3.25Å; Y269-Y271 VanDerWaalsContact C-N 3.33Å; Y269-Y271 PolarHBondContact O-N 3.23Å; Y269-R272 PolarHBondContact O-N 3.18Å; Y269-R272 VanDerWaalsContact O-N 3.15Å; Y269-E273 WeakPolarHBondContact O-CG 3.5Å; Y269-E273 PolarHBondContact O-N 2.94Å
270	K	96.6	Very high	93.4	Very high	134 Å²	134	81.9 Å²	81.9	58%	0.583	44%	0.436	S	S	*	.	H	α-helix	trans	-55.9	-45.1	175.8	-178.5	-176.1	178.2	-176.9	0	112.4	D266 L267 A274	D266-K270 VanDerWaalsContact O-CB 3.31Å; D266-K270 WeakPolarHBondContact O-CB 3.37Å; D266-K270 PolarHBondContact O-N 3.32Å; L267-K270 PolarHBondContact O-N 3.29Å; K270-A274 WeakPolarHBondContact O-CB 3.44Å; K270-A274 PolarHBondContact O-N 3.01Å; K270-A274 VanDerWaalsContact O-N 3.12Å
271	Y	95.8	Very high	93.3	Very high	23 Å²	23	85 Å²	85	9%	0.09	45%	0.454	C	S	.	.	H	α-helix	trans	-70.5	-32.4	179.4	-59.4	-34.3	0	0	0	113	R229 R230 A233 L267 L268 Y269 A275	R229-Y271 WeakPolarHBondContact CD-OH 3.48Å; R230-Y271 HydrophobicContact CG-CE1 4.34Å; R230-Y271 HydrophobicContact CG-CE2 4Å; A233-Y271 HydrophobicContact CB-CE2 4.12Å; L267-Y271 HydrophobicContact CB-CE2 4.02Å; L267-Y271 WeakPolarHBondContact O-CD2 3.25Å; L267-Y271 PolarHBondContact O-N 3.39Å; L268-Y271 PolarHBondContact O-N 3.02Å; Y269-Y271 VanDerWaalsContact C-N 3.33Å; Y269-Y271 PolarHBondContact O-N 3.23Å; Y271-A275 PolarHBondContact O-N 2.99Å
272	R	95	Very high	93	Very high	179 Å²	179	86 Å²	86	68%	0.675	45%	0.452	S	S	*	.	H	α-helix	trans	-68.5	-42.5	176.2	-174.1	177.7	-178.7	175.2	0	111.5	L268 Y269 A275	L268-R272 WeakPolarHBondContact O-CB 3.36Å; L268-R272 PolarHBondContact O-N 3.25Å; Y269-R272 PolarHBondContact O-N 3.18Å; Y269-R272 VanDerWaalsContact O-N 3.15Å; R272-A275 PolarHBondContact O-N 2.85Å
273	E	94.7	Very high	92.7	Very high	137 Å²	137	90.1 Å²	90.1	64%	0.64	47%	0.47	S	S	*	.	H	α-helix	trans	-65.8	-38	176.6	-71.9	176.6	-176.4	0	0	112.2	Y269 A275 L276	Y269-E273 WeakPolarHBondContact O-CG 3.5Å; Y269-E273 PolarHBondContact O-N 2.94Å; E273-A275 PolarHBondContact O-N 2.89Å; E273-L276 PolarHBondContact O-N 3.18Å
274	A	90.8	Very high	92.3	Very high	85 Å²	85	93.2 Å²	93.2	70%	0.702	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-14.1	177.4	0	0	0	0	0	114.5	K270	K270-A274 WeakPolarHBondContact O-CB 3.44Å; K270-A274 PolarHBondContact O-N 3.01Å; K270-A274 VanDerWaalsContact O-N 3.12Å
275	A	80.8	Confident	91.8	Very high	88 Å²	88	100 Å²	100	73%	0.727	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-6.7	178.3	0	0	0	0	0	113.4	Y271 R272 E273	Y271-A275 PolarHBondContact O-N 2.99Å; R272-A275 PolarHBondContact O-N 2.85Å; E273-A275 PolarHBondContact O-N 2.89Å
276	L	62.1	Low	91.3	Very high	199 Å²	199	104.2 Å²	104.2	100%	1.042	53%	0.533	S	S	*	.			trans	-90.4	0	173.5	-69.5	170.6	0	0	0	110.4	E273	E273-L276 PolarHBondContact O-N 3.18Å

Retrieved 276 of 276 residues in 146.5 ms (Link to these results)

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