A0A087Y423_POEFO Loading...

RNA methyltransferase

O-methyltransferase that specifically monomethylates 5'-monophosphate of cytoplasmic histidyl tRNA (tRNA(His)), acting as a capping enzyme by protecting tRNA(His) from cleavage by DICER1. Also able, with less efficiently, to methylate the 5' monophosphate of a subset of pre-miRNAs, acting as a negative regulator of miRNA processing. The 5' monophosphate of pre-miRNAs is recognized by DICER1 and is required for pre-miRNAs processing: methylation at this position reduces the processing of pre-miRNAs by DICER1. Was also reported to mediate dimethylation of pre-miR-145; however dimethylation cannot be reproduced by another group which observes a monomethylation of pre-miR-145.

AlphaFold DB , UniProt , Accession A0A087Y423, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 279 aa.

Structure Viewer

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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	41.1	Very low	34.9	Very low	252 Å²	252	162.2 Å²	162.2	100%	1.241	88%	0.877	S	S	*	*				0	105.7	0	-80.4	-175.4	-84.7	0	0	107.9
2	A	32.2	Very low	34.8	Very low	105 Å²	105	164.2 Å²	164.2	87%	0.868	88%	0.876	S	S	*	*			trans	-143.9	131.8	174.9	0	0	0	0	0	107.9
3	A	33.2	Very low	34.4	Very low	95 Å²	95	166.5 Å²	166.5	79%	0.785	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-75.3	161.4	-171.7	0	0	0	0	0	113.1
4	P	37.5	Very low	34.1	Very low	130 Å²	130	167.2 Å²	167.2	84%	0.844	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-88	138.4	-177.9	33.9	-30.6	0	0	0	112.5
5	T	35.7	Very low	33.9	Very low	142 Å²	142	165.1 Å²	165.1	87%	0.871	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-85.4	119.3	174.5	-10.3	0	0	0	0	110.5
6	A	34.4	Very low	33.7	Very low	94 Å²	94	165.2 Å²	165.2	78%	0.777	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-77.6	127	173.1	0	0	0	0	0	111.1
7	R	36	Very low	33.5	Very low	251 Å²	251	162.2 Å²	162.2	95%	0.947	86%	0.86	S	S	*	*			trans	-87	115.5	168.4	-81.1	-177.5	174	-178.9	-1.9	109.7
8	V	34.6	Very low	33.5	Very low	127 Å²	127	162.1 Å²	162.1	77%	0.77	86%	0.858	S	S	*	*			trans	-78.5	122.7	171	174.7	0	0	0	0	109.2
9	K	32.8	Very low	33.3	Very low	203 Å²	203	165 Å²	165	88%	0.883	86%	0.858	S	S	*	*			trans	-78.3	114.9	166.7	-92.4	-179.5	174.5	178.2	0	108.9
10	I	33.9	Very low	32.9	Very low	152 Å²	152	163.9 Å²	163.9	78%	0.779	85%	0.853	S	S	*	*			trans	-78	119.4	168	-59.9	173.8	0	0	0	107.3
11	R	32.4	Very low	33.1	Very low	233 Å²	233	163.6 Å²	163.6	88%	0.879	85%	0.851	S	S	*	*			trans	-85.4	115.1	166.4	-85.4	-178.5	168.8	-179.3	-3.3	107.7	K13	R11-K13 PolarHBondContact O-N 2.96Å
12	E	33.4	Very low	32.4	Very low	186 Å²	186	156 Å²	156	87%	0.869	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.9	118.4	164.2	-76.2	177.8	155.3	0	0	108.9
13	K	30.1	Very low	32.3	Very low	194 Å²	194	158 Å²	158	84%	0.843	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-82.7	117.4	167.9	-76.9	-177.1	-179.8	-178.5	0	107.4	R11 V15	R11-K13 PolarHBondContact O-N 2.96Å; K13-V15 PolarHBondContact O-N 3.2Å
14	L	30.3	Very low	32.3	Very low	177 Å²	177	164.3 Å²	164.3	93%	0.927	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-63.4	126.2	162.2	-90.4	112.6	0	0	0	108.9
15	V	30.3	Very low	32	Very low	135 Å²	135	164.9 Å²	164.9	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-84.3	117.1	174.5	177.9	0	0	0	0	107.4	K13	K13-V15 PolarHBondContact O-N 3.2Å
16	E	31.1	Very low	31.6	Very low	167 Å²	167	164.9 Å²	164.9	78%	0.78	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-82	142	164.6	-69.7	-163.1	166.8	0	0	109.7	I18	E16-I18 PolarHBondContact O-N 3.48Å
17	P	31.4	Very low	31.3	Very low	114 Å²	114	169.6 Å²	169.6	74%	0.74	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.2	122.8	178.3	28.6	-32.6	0	0	0	111
18	I	32.3	Very low	30.9	Very low	160 Å²	160	162.7 Å²	162.7	82%	0.821	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-75.9	120	171.3	-62.3	170.7	0	0	0	107.9	E16 D20	E16-I18 PolarHBondContact O-N 3.48Å; I18-D20 PolarHBondContact O-N 3.02Å
19	Y	29.1	Very low	30.5	Very low	218 Å²	218	161.3 Å²	161.3	86%	0.855	81%	0.807	S	S	*	*			trans	-78.9	108.8	164	-80.6	-88.3	0	0	0	108.6
20	D	27.2	Very low	30.3	Very low	142 Å²	142	158.2 Å²	158.2	76%	0.759	81%	0.805	S	S	*	*			trans	-87.4	120.3	169.5	-168.2	4.4	0	0	0	109.5	I18	I18-D20 PolarHBondContact O-N 3.02Å
21	I	35.1	Very low	30	Very low	159 Å²	159	159.9 Å²	159.9	82%	0.815	81%	0.809	S	S	*	*			trans	-118	96.2	170.8	-60.3	172	0	0	0	105.8
22	S	27.9	Very low	29.8	Very low	93 Å²	93	155.7 Å²	155.7	65%	0.65	81%	0.81	S	S	*	*			trans	-176.5	113.3	153.1	176.8	0	0	0	0	111.3
23	T	30	Very low	29.5	Very low	147 Å²	147	152.9 Å²	152.9	90%	0.902	81%	0.805	S	S	*	*				-151.5	112.9	127.9	41.4	0	0	0	0	109.2
24	R	33.3	Very low	29.3	Very low	227 Å²	227	152.6 Å²	152.6	86%	0.857	81%	0.809	S	S	*	*			trans	-93.2	140	162.8	-87	-177.8	170.6	167	-2.5	109.6
25	N	30	Very low	29	Very low	141 Å²	141	147.8 Å²	147.8	75%	0.754	80%	0.795	S	S	*	*				149.1	133.6	119.8	-79.8	-28	0	0	0	111.3
26	L	27.9	Very low	28.8	Very low	142 Å²	142	147.7 Å²	147.7	74%	0.743	80%	0.795	S	S	*	*				179.3	125.1	109.8	-111.4	81.3	0	0	0	112.5
27	F	28.5	Very low	28.5	Very low	193 Å²	193	145.2 Å²	145.2	85%	0.846	80%	0.795	S	S	*	*			trans	66.9	141.6	155.9	-64.6	-71.9	0	0	0	120.2
28	S	27.5	Very low	28.6	Very low	107 Å²	107	145.5 Å²	145.5	75%	0.748	80%	0.797	S	S	*	*			cis	-160.9	143.7	15.4	176.7	0	0	0	0	112
29	S	26.4	Very low	28.5	Very low	97 Å²	97	145.5 Å²	145.5	68%	0.678	80%	0.798	S	S	*	*			trans	24.7	122.3	150.1	-156.4	0	0	0	0	123.3
30	T	27.6	Very low	28.8	Very low	138 Å²	138	143.1 Å²	143.1	85%	0.847	80%	0.8	S	S	*	*				179	143.1	106.6	30.5	0	0	0	0	111.2
31	H	28.5	Very low	29.2	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.866	80%	0.8	S	S	*	*			trans	-77.2	133.4	-178.5	-86.3	-36.6	0	0	0	113.4
32	V	27.6	Very low	29.2	Very low	146 Å²	146	142.7 Å²	142.7	89%	0.885	79%	0.79	S	S	*	*			trans	-148.4	129.2	139.5	-179.3	0	0	0	0	108.8
33	T	28.2	Very low	29.9	Very low	126 Å²	126	143.2 Å²	143.2	77%	0.773	79%	0.792	S	S	*	*			trans	-99.3	135.8	170.8	-19.6	0	0	0	0	109.1
34	M	25.3	Very low	30.3	Very low	189 Å²	189	142.2 Å²	142.2	93%	0.931	78%	0.78	S	S	*	*			trans	175.2	160.7	140.2	-92.4	-82.6	-103.5	0	0	111.1
35	A	24.7	Very low	30.5	Very low	76 Å²	76	136.3 Å²	136.3	63%	0.628	77%	0.766	S	S	*	*			trans	-86.7	168	-151.1	0	0	0	0	0	117
36	T	26.1	Very low	31	Very low	133 Å²	133	131.1 Å²	131.1	82%	0.816	74%	0.743	S	S	*	*			trans	70.4	105.3	148	46.3	0	0	0	0	120.4
37	C	24.2	Very low	31.8	Very low	114 Å²	114	128.4 Å²	128.4	77%	0.77	73%	0.732	S	S	*	*				174.4	134.6	107	-90.1	0	0	0	0	108.4	N39	C37-N39 PolarHBondContact O-N 3.21Å
38	P	32.3	Very low	32.5	Very low	121 Å²	121	125.4 Å²	125.4	79%	0.786	72%	0.724	S	S	*	*			trans	-70.7	120.1	169.5	28.6	-28.1	0	0	0	107.7	L40	P38-L40 PolarHBondContact O-N 3.32Å
39	N	31.1	Very low	33.8	Very low	159 Å²	159	123.8 Å²	123.8	85%	0.85	71%	0.707	S	S	*	*			trans	-53.6	107.8	165.8	-87	-24.9	0	0	0	107.7	C37 K41	C37-N39 PolarHBondContact O-N 3.21Å; N39-K41 PolarHBondContact O-N 2.82Å; N39-K41 VanDerWaalsContact O-N 3.1Å
40	L	35.3	Very low	35.2	Very low	169 Å²	169	123.6 Å²	123.6	89%	0.885	70%	0.704	S	S	*	*			trans	-60.7	109.4	161.1	-73.6	159	0	0	0	105.1	P38 D42	P38-L40 PolarHBondContact O-N 3.32Å; L40-D42 PolarHBondContact O-N 3.31Å
41	K	35.8	Very low	36.7	Very low	179 Å²	179	118.7 Å²	118.7	78%	0.778	68%	0.681	S	S	*	*			trans	-60.6	135	168.2	-74.2	-174.9	174.5	-170.4	0	107.4	N39	N39-K41 PolarHBondContact O-N 2.82Å; N39-K41 VanDerWaalsContact O-N 3.1Å
42	D	35	Very low	38.6	Very low	113 Å²	113	109.9 Å²	109.9	60%	0.604	64%	0.64	S	S	*	*			trans	-55.2	139.1	174.2	-98	-45.2	0	0	0	109.5	L40 D44 D45	L40-D42 PolarHBondContact O-N 3.31Å; D42-D44 PolarHBondContact O-N 3.44Å; D42-D44 VanDerWaalsContact O-N 3.14Å; D42-D45 PolarHBondContact O-N 3.14Å; D42-D45 VanDerWaalsContact O-N 3.09Å
43	P	43.4	Very low	41.2	Very low	104 Å²	104	103.1 Å²	103.1	68%	0.675	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-29.6	178.4	-22.8	32.3	0	0	0	113	A46	P43-A46 PolarHBondContact O-N 2.84Å
44	D	37.8	Very low	44	Very low	125 Å²	125	97.3 Å²	97.3	67%	0.668	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-30.4	179	-77.3	-18.5	0	0	0	113.1	D42 A46 V47	D42-D44 PolarHBondContact O-N 3.44Å; D42-D44 VanDerWaalsContact O-N 3.14Å; D44-A46 PolarHBondContact O-N 2.94Å; D44-V47 WeakPolarHBondContact O-CB 3.25Å; D44-V47 PolarHBondContact O-N 2.86Å; D44-V47 VanDerWaalsContact O-N 3.15Å
45	D	37.7	Very low	47	Very low	104 Å²	104	93.4 Å²	93.4	56%	0.556	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-21	176.6	-83.3	-20.1	0	0	0	112.5	D42 V47	D42-D45 PolarHBondContact O-N 3.14Å; D42-D45 VanDerWaalsContact O-N 3.09Å; D45-V47 VanDerWaalsContact C-N 3.31Å
46	A	40.8	Very low	50.2	Low	32 Å²	32	90.3 Å²	90.3	26%	0.264	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.2	175.2	0	0	0	0	0	113.2	P43 D44	P43-A46 PolarHBondContact O-N 2.84Å; D44-A46 PolarHBondContact O-N 2.94Å
47	V	44.9	Very low	53.3	Low	84 Å²	84	85.5 Å²	85.5	51%	0.509	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-29.1	172.9	-176.3	0	0	0	0	110.4	D44 D45	D44-V47 WeakPolarHBondContact O-CB 3.25Å; D44-V47 PolarHBondContact O-N 2.86Å; D44-V47 VanDerWaalsContact O-N 3.15Å; D45-V47 VanDerWaalsContact C-N 3.31Å
48	N	42.6	Very low	56.6	Low	130 Å²	130	81.2 Å²	81.2	70%	0.695	45%	0.453	S	S	*	.	S	Bend	trans	-97.2	9.3	-175.8	-73.6	-30.1	0	0	0	115.4	P50	N48-P50 WeakPolarHBondContact O-CD 3.38Å
49	D	54.7	Low	59.4	Low	73 Å²	73	79.1 Å²	79.1	39%	0.39	43%	0.434	S	S	.	.			trans	-78.7	110.2	166.5	-176.5	-11.8	0	0	0	108.6	G51 A52	D49-G51 PolarHBondContact O-N 3.15Å; D49-G51 PolarHBondContact OD1-N 2.93Å; D49-A52 HydrophobicContact CB-CB 4.26Å; D49-A52 WeakPolarHBondContact O-CB 3.45Å; D49-A52 PolarHBondContact O-N 3.48Å
50	P	55	Low	62.1	Low	93 Å²	93	76 Å²	76	60%	0.604	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.4	-178.9	23.5	-32.3	0	0	0	113.2	N48 I59	N48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-I59 HydrophobicContact CB-CD1 4.24Å
51	G	60.1	Low	64.9	Low	35 Å²	35	69.2 Å²	69.2	36%	0.361	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.5	171.9	0	0	0	0	0	115.1	D49 R223	D49-G51 PolarHBondContact O-N 3.15Å; D49-G51 PolarHBondContact OD1-N 2.93Å; G51-R223 WeakPolarHBondContact O-CD 3.34Å
52	A	67.3	Low	67.6	Low	2 Å²	2	61.6 Å²	61.6	2%	0.017	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-53.8	-175.2	0	0	0	0	0	112.7	D49 L224 L227	D49-A52 HydrophobicContact CB-CB 4.26Å; D49-A52 WeakPolarHBondContact O-CB 3.45Å; D49-A52 PolarHBondContact O-N 3.48Å; A52-L224 WeakPolarHBondContact O-CD2 3.14Å; A52-L227 VanDerWaalsContact CA-CD1 3.41Å; A52-L227 HydrophobicContact CB-CD1 3.62Å
53	A	83.9	Confident	70.4	Confident	5 Å²	5	60.8 Å²	60.8	4%	0.041	35%	0.35	C	S	.	.			trans	32.9	66.4	180	0	0	0	0	0	113	Y55 G56 N57 F58	A53-Y55 PolarHBondContact O-N 3.32Å; A53-G56 PolarHBondContact O-N 3.02Å; A53-N57 VanDerWaalsContact CA-OD1 3.28Å; A53-N57 WeakPolarHBondContact CA-OD1 3.47Å; A53-F58 HydrophobicContact CB-CD1 3.65Å; A53-F58 HydrophobicContact CB-CD2 4.36Å; A53-F58 HydrophobicContact CB-CE1 3.31Å; A53-F58 HydrophobicContact CB-CE2 4.07Å; A53-F58 HydrophobicContact CB-CG 4.1Å; A53-F58 HydrophobicContact CB-CZ 3.44Å; A53-F58 VanDerWaalsContact CB-CZ 3.44Å
54	P	85.5	Confident	72.6	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.026	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.1	-175.8	22.4	-32.2	0	0	0	112.4	G56 W183 N187 L224 F232	P54-G56 VanDerWaalsContact C-N 3.34Å; P54-W183 VanDerWaalsContact O-CE3 3.29Å; P54-W183 WeakPolarHBondContact O-CZ3 3.46Å; P54-N187 PolarHBondContact O-ND2 3.21Å; P54-L224 HydrophobicContact CB-CD2 4.32Å; P54-F232 HydrophobicContact CB-CE2 3.58Å; P54-F232 HydrophobicContact CB-CZ 3.91Å; P54-F232 WeakPolarHBondContact O-CZ 3.24Å
55	Y	89.8	Confident	75.1	Confident	107 Å²	107	54.8 Å²	54.8	42%	0.42	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	5.1	178.9	-53	-68.4	0	0	0	113.2	A53 N57 L128 W183 N187	A53-Y55 PolarHBondContact O-N 3.32Å; Y55-N57 VanDerWaalsContact C-N 3.31Å; Y55-L128 HydrophobicContact CD1-CD2 3.98Å; Y55-L128 HydrophobicContact CD2-CD2 3.82Å; Y55-L128 HydrophobicContact CE1-CD2 4.31Å; Y55-L128 HydrophobicContact CE2-CD2 4.15Å; Y55-L128 HydrophobicContact CG-CD2 3.72Å; Y55-W183 WeakPolarHBondContact O-CB 3.33Å; Y55-W183 VanDerWaalsContact O-CG 3.25Å; Y55-N187 HydrophobicContact CE1-CB 4.5Å; Y55-N187 VanDerWaalsContact CE1-OD1 3.31Å; Y55-N187 WeakPolarHBondContact CE1-OD1 3.36Å
56	G	90.1	Very high	77.9	Confident	10 Å²	10	52 Å²	52	10%	0.103	30%	0.295	C	S	.	.	S	Bend	trans	80.9	10.2	-174.9	0	0	0	0	0	115	A53 P54 F58 W183	A53-G56 PolarHBondContact O-N 3.02Å; P54-G56 VanDerWaalsContact C-N 3.34Å; G56-F58 WeakPolarHBondContact O-CD2 3.47Å; G56-F58 PolarHBondContact O-N 3.47Å; G56-W183 VanDerWaalsContact CA-CD2 3.43Å
57	N	91.9	Very high	80.5	Confident	32 Å²	32	51.1 Å²	51.1	17%	0.171	29%	0.287	C	S	.	.			trans	-69.2	56.5	175.8	56.6	-40.1	0	0	0	112.6	A53 Y55 I59 D129 L132	A53-N57 VanDerWaalsContact CA-OD1 3.28Å; A53-N57 WeakPolarHBondContact CA-OD1 3.47Å; Y55-N57 VanDerWaalsContact C-N 3.31Å; N57-I59 PolarHBondContact O-N 3.17Å; N57-D129 HydrophobicContact CB-CB 4.08Å; N57-D129 PolarHBondContact ND2-OD2 2.72Å; N57-L132 HydrophobicContact CB-CD1 3.68Å
58	F	92.8	Very high	82.9	Confident	24 Å²	24	52.7 Å²	52.7	11%	0.105	29%	0.289	C	S	.	.			trans	-72.2	119.7	175.4	-60.9	-76.9	0	0	0	110.3	A53 G56 N60 Y61 F64 N100 W183	A53-F58 HydrophobicContact CB-CD1 3.65Å; A53-F58 HydrophobicContact CB-CD2 4.36Å; A53-F58 HydrophobicContact CB-CE1 3.31Å; A53-F58 HydrophobicContact CB-CE2 4.07Å; A53-F58 HydrophobicContact CB-CG 4.1Å; A53-F58 HydrophobicContact CB-CZ 3.44Å; A53-F58 VanDerWaalsContact CB-CZ 3.44Å; G56-F58 WeakPolarHBondContact O-CD2 3.47Å; G56-F58 PolarHBondContact O-N 3.47Å; F58-N60 PolarHBondContact O-N 3.44Å; F58-N60 VanDerWaalsContact O-N 3.1Å; F58-Y61 HydrophobicContact CD2-CD2 4.43Å; F58-Y61 WeakPolarHBondContact O-CB 3.28Å; F58-Y61 PolarHBondContact O-N 3.35Å; F58-Y61 VanDerWaalsContact O-N 3.12Å; F58-F64 HydrophobicContact CB-CE1 4.22Å; F58-F64 HydrophobicContact CB-CZ 4.13Å; F58-F64 HydrophobicContact CD2-CZ 4.26Å; F58-F64 HydrophobicContact CG-CE1 4.45Å; F58-F64 HydrophobicContact CG-CZ 4.09Å; F58-N100 PolarHBondContact O-ND2 2.84Å; F58-N100 VanDerWaalsContact O-ND2 3.16Å; F58-N100 PolarHBondContact O-OD1 3.28Å; F58-W183 HydrophobicContact CE2-CH2 4.1Å; F58-W183 AromaticContact CE2-CZ2 3.63Å; F58-W183 HydrophobicContact CE2-CZ2 3.63Å; F58-W183 HydrophobicContact CZ-CH2 4.18Å; F58-W183 HydrophobicContact CZ-CZ2 4.17Å
59	I	91.2	Very high	85.4	Confident	77 Å²	77	48.9 Å²	48.9	40%	0.395	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.3	176.8	-62	173.2	0	0	0	113	P50 N57 L132 R135	P50-I59 HydrophobicContact CB-CD1 4.24Å; N57-I59 PolarHBondContact O-N 3.17Å; I59-L132 HydrophobicContact CG1-CD2 4.27Å; I59-R135 VanDerWaalsContact CG2-NH1 3.3Å; I59-R135 PolarHBondContact O-NH1 3.11Å
60	N	89.3	Confident	87.3	Confident	95 Å²	95	45.4 Å²	45.4	51%	0.508	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	26.9	-177.6	-62.7	-30.3	0	0	0	112.5	F58 Y62 S63 F64	F58-N60 PolarHBondContact O-N 3.44Å; F58-N60 VanDerWaalsContact O-N 3.1Å; N60-Y62 VanDerWaalsContact C-N 3.27Å; N60-Y62 PolarHBondContact O-N 2.89Å; N60-S63 WeakPolarHBondContact O-CB 3.38Å; N60-S63 PolarHBondContact O-N 3.4Å; N60-F64 WeakPolarHBondContact O-CD1 3.44Å; N60-F64 VanDerWaalsContact O-CE1 3.25Å; N60-F64 WeakPolarHBondContact O-CE1 3.28Å
61	Y	92.4	Very high	89.3	Confident	25 Å²	25	42 Å²	42	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-50.9	-47	-175.2	-178.3	-113.5	0	0	0	112.8	F58 S63 F64 N65 R70 A179	F58-Y61 HydrophobicContact CD2-CD2 4.43Å; F58-Y61 WeakPolarHBondContact O-CB 3.28Å; F58-Y61 PolarHBondContact O-N 3.35Å; F58-Y61 VanDerWaalsContact O-N 3.12Å; Y61-S63 VanDerWaalsContact C-N 3.32Å; Y61-S63 PolarHBondContact O-N 2.84Å; Y61-F64 AromaticContact CD2-CE2 3.66Å; Y61-F64 HydrophobicContact CD2-CE2 3.66Å; Y61-F64 AromaticContact CD2-CZ 3.63Å; Y61-F64 HydrophobicContact CD2-CZ 3.63Å; Y61-F64 HydrophobicContact CE2-CE2 4.07Å; Y61-F64 HydrophobicContact CE2-CZ 4.44Å; Y61-F64 HydrophobicContact CG-CZ 4.38Å; Y61-F64 PolarHBondContact O-N 3.19Å; Y61-N65 HydrophobicContact CE2-CB 4.48Å; Y61-N65 PolarHBondContact O-N 3.18Å; Y61-N65 PolarHBondContact OH-ND2 3.04Å; Y61-R70 PolarHBondContact OH-NH2 2.87Å; Y61-A179 VanDerWaalsContact OH-CB 3.28Å; Y61-A179 WeakPolarHBondContact OH-CB 3.4Å
62	Y	93.9	Very high	91	Very high	20 Å²	20	44.9 Å²	44.9	8%	0.078	24%	0.241	C	C	.	.	H	α-helix	trans	-76	-16.1	-176.8	-58.4	-65.7	0	0	0	114	N60 F64 N65 P66 P67 C99 N100 S101 D103 L104	N60-Y62 VanDerWaalsContact C-N 3.27Å; N60-Y62 PolarHBondContact O-N 2.89Å; Y62-F64 VanDerWaalsContact C-N 3.33Å; Y62-F64 PolarHBondContact O-N 2.84Å; Y62-N65 CarbonylContact O-C 3.45Å; Y62-P66 WeakPolarHBondContact O-CA 3.46Å; Y62-P67 HydrophobicContact CD1-CG 4.24Å; Y62-C99 PolarHBondContact OH-O 3.27Å; Y62-N100 HydrophobicContact CE2-CB 4.03Å; Y62-S101 WeakPolarHBondContact CD2-OG 3.34Å; Y62-D103 HydrophobicContact CD1-CB 4.26Å; Y62-D103 HydrophobicContact CD2-CB 3.41Å; Y62-D103 VanDerWaalsContact CD2-CB 3.41Å; Y62-D103 WeakPolarHBondContact CD2-OD2 3.46Å; Y62-D103 HydrophobicContact CE2-CB 3.69Å; Y62-D103 WeakPolarHBondContact CE2-OD2 3.5Å; Y62-D103 HydrophobicContact CG-CB 3.69Å; Y62-L104 HydrophobicContact CD1-CB 4.31Å; Y62-L104 HydrophobicContact CE1-CB 3.39Å; Y62-L104 HydrophobicContact CE1-CD2 4.44Å; Y62-L104 WeakPolarHBondContact OH-CB 3.19Å
63	S	92.8	Very high	92.4	Very high	96 Å²	96	46.9 Å²	46.9	67%	0.671	25%	0.251	S	S	*	.	H	α-helix	trans	-67.8	-34.2	173.1	-51.6	0	0	0	0	112.4	N60 Y61	N60-S63 WeakPolarHBondContact O-CB 3.38Å; N60-S63 PolarHBondContact O-N 3.4Å; Y61-S63 VanDerWaalsContact C-N 3.32Å; Y61-S63 PolarHBondContact O-N 2.84Å
64	F	89.9	Confident	93	Very high	100 Å²	100	47 Å²	47	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-105.6	-8.8	179.6	61	-104.6	0	0	0	113.3	F58 N60 Y61 Y62 W269	F58-F64 HydrophobicContact CB-CE1 4.22Å; F58-F64 HydrophobicContact CB-CZ 4.13Å; F58-F64 HydrophobicContact CD2-CZ 4.26Å; F58-F64 HydrophobicContact CG-CE1 4.45Å; F58-F64 HydrophobicContact CG-CZ 4.09Å; N60-F64 WeakPolarHBondContact O-CD1 3.44Å; N60-F64 VanDerWaalsContact O-CE1 3.25Å; N60-F64 WeakPolarHBondContact O-CE1 3.28Å; Y61-F64 AromaticContact CD2-CE2 3.66Å; Y61-F64 HydrophobicContact CD2-CE2 3.66Å; Y61-F64 AromaticContact CD2-CZ 3.63Å; Y61-F64 HydrophobicContact CD2-CZ 3.63Å; Y61-F64 HydrophobicContact CE2-CE2 4.07Å; Y61-F64 HydrophobicContact CE2-CZ 4.44Å; Y61-F64 HydrophobicContact CG-CZ 4.38Å; Y61-F64 PolarHBondContact O-N 3.19Å; Y62-F64 VanDerWaalsContact C-N 3.33Å; Y62-F64 PolarHBondContact O-N 2.84Å; F64-W269 AromaticContact CD2-CH2 3.82Å; F64-W269 HydrophobicContact CD2-CH2 3.82Å; F64-W269 HydrophobicContact CD2-CZ2 4.42Å; F64-W269 HydrophobicContact CE2-CH2 4.14Å; F64-W269 WeakPolarHBondContact O-CZ2 3.28Å
65	N	91	Very high	93.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.011	26%	0.26	C	S	.	.	S	Bend	trans	-140.5	74	174.1	-164.6	11.9	0	0	0	111.6	Y61 Y62 N69 R70 W269	Y61-N65 HydrophobicContact CE2-CB 4.48Å; Y61-N65 PolarHBondContact O-N 3.18Å; Y61-N65 PolarHBondContact OH-ND2 3.04Å; Y62-N65 CarbonylContact O-C 3.45Å; N65-N69 PolarHBondContact OD1-ND2 3.31Å; N65-N69 VanDerWaalsContact OD1-ND2 3.11Å; N65-R70 PolarHBondContact ND2-NH1 3.49Å; N65-R70 PolarHBondContact ND2-NH2 2.93Å; N65-R70 PolarHBondContact O-NH1 3.1Å; N65-R70 PolarHBondContact OD1-NH1 2.87Å; N65-W269 HydrophobicContact CB-CH2 3.49Å; N65-W269 VanDerWaalsContact CB-CH2 3.49Å; N65-W269 HydrophobicContact CB-CZ2 4.03Å; N65-W269 HydrophobicContact CB-CZ3 3.88Å; N65-W269 VanDerWaalsContact CG-CZ3 3.46Å; N65-W269 WeakPolarHBondContact ND2-CZ3 3.36Å
66	P	95	Very high	93.9	Very high	45 Å²	45	45.6 Å²	45.6	29%	0.292	26%	0.259	S	S	.	.			trans	-57.8	149.6	-173.1	-25.7	34.9	0	0	0	113.5	Y62 E68 N69	Y62-P66 WeakPolarHBondContact O-CA 3.46Å; P66-E68 WeakPolarHBondContact CB-OE2 3.34Å; P66-E68 PolarHBondContact O-N 2.89Å; P66-N69 WeakPolarHBondContact O-CB 3.33Å; P66-N69 PolarHBondContact O-N 3.22Å
67	P	96.7	Very high	94.2	Very high	14 Å²	14	48 Å²	48	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.7	178	-29.2	37.2	0	0	0	114.3	Y62 N69 R70 L71 D103 L104 A107	Y62-P67 HydrophobicContact CD1-CG 4.24Å; P67-N69 PolarHBondContact O-N 2.95Å; P67-R70 PolarHBondContact O-N 2.94Å; P67-L71 HydrophobicContact CB-CD1 4.32Å; P67-L71 WeakPolarHBondContact O-CG 3.48Å; P67-L71 PolarHBondContact O-N 3.21Å; P67-L71 VanDerWaalsContact O-N 3.07Å; P67-D103 HydrophobicContact CG-CB 4.44Å; P67-L104 HydrophobicContact CB-CD1 3.83Å; P67-A107 HydrophobicContact CB-CB 3.76Å; P67-A107 HydrophobicContact CG-CB 4.24Å
68	E	95.6	Very high	94.5	Very high	118 Å²	118	46.6 Å²	46.6	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-57	-28.3	-177.8	-63.1	72.4	-158.7	0	0	112.5	P66 R70 L71 S72	P66-E68 WeakPolarHBondContact CB-OE2 3.34Å; P66-E68 PolarHBondContact O-N 2.89Å; E68-R70 PolarHBondContact O-N 3.18Å; E68-L71 PolarHBondContact O-N 3.01Å; E68-S72 WeakPolarHBondContact O-CB 3.46Å; E68-S72 PolarHBondContact O-N 3.42Å; E68-S72 PolarHBondContact O-OG 3.24Å
69	N	93.9	Very high	94.7	Very high	49 Å²	49	45.9 Å²	45.9	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-28.7	175.3	-70.5	-17.5	0	0	0	112.8	N65 P66 P67 S72	N65-N69 PolarHBondContact OD1-ND2 3.31Å; N65-N69 VanDerWaalsContact OD1-ND2 3.11Å; P66-N69 WeakPolarHBondContact O-CB 3.33Å; P66-N69 PolarHBondContact O-N 3.22Å; P67-N69 PolarHBondContact O-N 2.95Å; N69-S72 PolarHBondContact O-OG 3.31Å
70	R	95.9	Very high	94.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-94.6	-44.6	173.7	-74	81	173.9	-161.8	-4.1	111.3	Y61 N65 P67 E68 S72 L73 I74 L104 E210	Y61-R70 PolarHBondContact OH-NH2 2.87Å; N65-R70 PolarHBondContact ND2-NH1 3.49Å; N65-R70 PolarHBondContact ND2-NH2 2.93Å; N65-R70 PolarHBondContact O-NH1 3.1Å; N65-R70 PolarHBondContact OD1-NH1 2.87Å; P67-R70 PolarHBondContact O-N 2.94Å; E68-R70 PolarHBondContact O-N 3.18Å; R70-S72 PolarHBondContact O-N 3.07Å; R70-L73 WeakPolarHBondContact O-CB 3.27Å; R70-L73 PolarHBondContact O-N 2.88Å; R70-I74 HydrophobicContact CB-CD1 4.29Å; R70-I74 PolarHBondContact O-N 2.95Å; R70-L104 HydrophobicContact CB-CD1 4.42Å; R70-E210 IonicContact CZ-OE1 3.83Å; R70-E210 IonicContact CZ-OE2 3.76Å; R70-E210 IonicContact NE-OE1 3.82Å; R70-E210 IonicContact NE-OE2 3.74Å; R70-E210 PolarHBondContact NE-OE2 3.23Å; R70-E210 IonicContact NH2-OE1 3.95Å; R70-E210 PolarHBondContact NH2-OE1 3.04Å; R70-E210 VanDerWaalsContact NH2-OE1 3.14Å; R70-E210 IonicContact NH2-OE2 2.6Å; R70-E210 PolarHBondContact NH2-OE2 2.89Å
71	L	96.3	Very high	95.2	Very high	23 Å²	23	47.7 Å²	47.7	12%	0.12	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-31	-175.2	-61.2	-178.6	0	0	0	112.6	P67 E68 L73 I74 A107 I108 H111	P67-L71 HydrophobicContact CB-CD1 4.32Å; P67-L71 WeakPolarHBondContact O-CG 3.48Å; P67-L71 PolarHBondContact O-N 3.21Å; P67-L71 VanDerWaalsContact O-N 3.07Å; E68-L71 PolarHBondContact O-N 3.01Å; L71-L73 PolarHBondContact O-N 3.06Å; L71-L73 VanDerWaalsContact O-N 3.15Å; L71-I74 PolarHBondContact O-N 3.18Å; L71-I74 VanDerWaalsContact O-O 3.07Å; L71-A107 HydrophobicContact CD1-CB 3.85Å; L71-I108 HydrophobicContact CD2-CB 4.42Å; L71-I108 HydrophobicContact CD2-CG1 3.62Å; L71-H111 HydrophobicContact CD1-CB 4.38Å; L71-H111 HydrophobicContact CD2-CB 3.91Å
72	S	95.6	Very high	95.4	Very high	95 Å²	95	47.9 Å²	47.9	66%	0.664	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.4	173.8	53.4	0	0	0	0	114.6	E68 N69 R70	E68-S72 WeakPolarHBondContact O-CB 3.46Å; E68-S72 PolarHBondContact O-N 3.42Å; E68-S72 PolarHBondContact O-OG 3.24Å; N69-S72 PolarHBondContact O-OG 3.31Å; R70-S72 PolarHBondContact O-N 3.07Å
73	L	96.8	Very high	95.4	Very high	43 Å²	43	49.7 Å²	49.7	23%	0.225	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-28.9	178.4	-58.4	-179.9	0	0	0	112.4	R70 L71 P75 F264 T267 L273	R70-L73 WeakPolarHBondContact O-CB 3.27Å; R70-L73 PolarHBondContact O-N 2.88Å; L71-L73 PolarHBondContact O-N 3.06Å; L71-L73 VanDerWaalsContact O-N 3.15Å; L73-P75 WeakPolarHBondContact O-CD 3.46Å; L73-F264 HydrophobicContact CB-CB 4.18Å; L73-F264 WeakPolarHBondContact O-CB 3.43Å; L73-T267 HydrophobicContact CD1-CG2 3.93Å; L73-L273 HydrophobicContact CB-CD1 3.81Å; L73-L273 HydrophobicContact CD1-CD1 3.97Å; L73-L273 HydrophobicContact CD1-CG 4.37Å
74	I	97.5	Very high	95.4	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	27%	0.27	C	S	.	.	S	Bend	trans	-81	122.9	-178.4	-62.6	169.4	0	0	0	108.4	R70 L71 A76 L78 H111 L112 L208 L273	R70-I74 HydrophobicContact CB-CD1 4.29Å; R70-I74 PolarHBondContact O-N 2.95Å; L71-I74 PolarHBondContact O-N 3.18Å; L71-I74 VanDerWaalsContact O-O 3.07Å; I74-A76 PolarHBondContact O-N 2.84Å; I74-L78 HydrophobicContact CG2-CB 4.41Å; I74-L78 HydrophobicContact CG2-CD2 3.91Å; I74-H111 PolarHBondContact O-CE1 3.1Å; I74-H111 PolarHBondContact O-NE2 2.98Å; I74-L112 HydrophobicContact CG2-CD2 4.22Å; I74-L208 HydrophobicContact CD1-CD2 3.83Å; I74-L208 HydrophobicContact CG1-CD2 4.15Å; I74-L273 HydrophobicContact CD1-CD1 4.3Å; I74-L273 HydrophobicContact CG1-CD1 3.87Å
75	P	97.1	Very high	95.1	Very high	34 Å²	34	52 Å²	52	22%	0.221	29%	0.287	C	S	.	.			trans	-64.6	136.5	174	-19.8	32.1	0	0	0	110.8	L73 T77 L78 F264	L73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-T77 PolarHBondContact O-N 3.24Å; P75-L78 VanDerWaalsContact O-CB 3.28Å; P75-L78 WeakPolarHBondContact O-CB 3.32Å; P75-L78 PolarHBondContact O-N 3.43Å; P75-F264 HydrophobicContact CG-CD1 4.08Å; P75-F264 HydrophobicContact CG-CE1 3.56Å; P75-F264 HydrophobicContact CG-CZ 4.41Å
76	A	96.7	Very high	94.7	Very high	49 Å²	49	55.1 Å²	55.1	41%	0.405	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.6	171.7	0	0	0	0	0	111.9	I74 L78 H111	I74-A76 PolarHBondContact O-N 2.84Å; A76-L78 VanDerWaalsContact C-N 3.29Å; A76-L78 PolarHBondContact O-N 3.13Å; A76-H111 WeakPolarHBondContact CB-O 3.46Å; A76-H111 PolarHBondContact N-NE2 2.94Å
77	T	96.3	Very high	93.9	Very high	59 Å²	59	55.7 Å²	55.7	36%	0.362	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	3.1	175.8	55.4	0	0	0	0	114	P75 L79 Q80 D81	P75-T77 PolarHBondContact O-N 3.24Å; T77-L79 VanDerWaalsContact C-N 3.31Å; T77-L79 PolarHBondContact O-N 3.13Å; T77-L79 VanDerWaalsContact O-N 3.14Å; T77-Q80 CarbonylContact O-C 3.6Å; T77-Q80 WeakPolarHBondContact O-CA 3.29Å; T77-Q80 WeakPolarHBondContact O-CB 3.39Å; T77-Q80 PolarHBondContact O-N 3.08Å; T77-D81 PolarHBondContact O-N 3.39Å; T77-D81 PolarHBondContact OG1-OD2 3.19Å
78	L	97.8	Very high	92.9	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-51.3	-46	-169.7	175.4	64.1	0	0	0	113	I74 P75 A76 Q80 D81 L82 L112 L174 F264 L275	I74-L78 HydrophobicContact CG2-CB 4.41Å; I74-L78 HydrophobicContact CG2-CD2 3.91Å; P75-L78 VanDerWaalsContact O-CB 3.28Å; P75-L78 WeakPolarHBondContact O-CB 3.32Å; P75-L78 PolarHBondContact O-N 3.43Å; A76-L78 VanDerWaalsContact C-N 3.29Å; A76-L78 PolarHBondContact O-N 3.13Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-Q80 PolarHBondContact O-N 3.35Å; L78-D81 PolarHBondContact O-N 3.18Å; L78-L82 HydrophobicContact CD1-CD1 4.03Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CG-CD1 4.17Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.15Å; L78-L82 PolarHBondContact O-N 3.01Å; L78-L112 HydrophobicContact CB-CD2 3.75Å; L78-L112 HydrophobicContact CD2-CD2 4.44Å; L78-L174 HydrophobicContact CD2-CD2 3.99Å; L78-F264 HydrophobicContact CD1-CZ 3.89Å; L78-L275 HydrophobicContact CD1-CD2 3.89Å
79	L	96.6	Very high	92.2	Very high	9 Å²	9	59 Å²	59	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-43	179.3	-65.3	-178	0	0	0	111.8	T77 L82 G83 Y84 T92 I94 L112 V113 V121 L174	T77-L79 VanDerWaalsContact C-N 3.31Å; T77-L79 PolarHBondContact O-N 3.13Å; T77-L79 VanDerWaalsContact O-N 3.14Å; L79-L82 CarbonylContact O-C 3.53Å; L79-L82 PolarHBondContact O-N 3.24Å; L79-G83 PolarHBondContact O-N 3.47Å; L79-Y84 CarbonylContact C-O 3.37Å; L79-Y84 HydrophobicContact CD2-CD2 4.32Å; L79-Y84 WeakPolarHBondContact O-CB 3.32Å; L79-Y84 PolarHBondContact O-N 3.47Å; L79-T92 HydrophobicContact CD2-CG2 4.3Å; L79-I94 HydrophobicContact CD1-CD1 4.39Å; L79-I94 HydrophobicContact CD2-CD1 4.28Å; L79-L112 HydrophobicContact CD1-CB 3.96Å; L79-L112 HydrophobicContact CD2-CD1 4.39Å; L79-L112 HydrophobicContact CG-CB 4.19Å; L79-L112 HydrophobicContact CG-CD1 4.23Å; L79-V113 HydrophobicContact CD1-CG2 4.5Å; L79-V121 HydrophobicContact CD1-CG1 4.09Å; L79-V121 HydrophobicContact CD1-CG2 4.01Å; L79-L174 HydrophobicContact CD2-CD2 4.22Å
80	Q	94.8	Very high	92	Very high	118 Å²	118	63.4 Å²	63.4	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-65.5	-41.6	177.8	-60.9	163	2.8	0	0	111.4	T77 L78 L82 G83	T77-Q80 CarbonylContact O-C 3.6Å; T77-Q80 WeakPolarHBondContact O-CA 3.29Å; T77-Q80 WeakPolarHBondContact O-CB 3.39Å; T77-Q80 PolarHBondContact O-N 3.08Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-Q80 PolarHBondContact O-N 3.35Å; Q80-L82 PolarHBondContact O-N 3.33Å; Q80-G83 PolarHBondContact O-N 3.1Å
81	D	96.4	Very high	92	Very high	93 Å²	93	64.4 Å²	64.4	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-28.6	176.7	-67.1	-29.6	0	0	0	112	T77 L78 G83	T77-D81 PolarHBondContact O-N 3.39Å; T77-D81 PolarHBondContact OG1-OD2 3.19Å; L78-D81 PolarHBondContact O-N 3.18Å; D81-G83 VanDerWaalsContact C-N 3.33Å
82	L	96.4	Very high	92	Very high	28 Å²	28	63.6 Å²	63.6	15%	0.147	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4	173.8	-65.9	-178.2	0	0	0	113.5	L78 L79 Q80 Y84 L174 H206 I261 L275	L78-L82 HydrophobicContact CD1-CD1 4.03Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CG-CD1 4.17Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.15Å; L78-L82 PolarHBondContact O-N 3.01Å; L79-L82 CarbonylContact O-C 3.53Å; L79-L82 PolarHBondContact O-N 3.24Å; Q80-L82 PolarHBondContact O-N 3.33Å; L82-Y84 HydrophobicContact CB-CD2 3.66Å; L82-Y84 HydrophobicContact CB-CE2 3.66Å; L82-Y84 HydrophobicContact CD1-CD2 4.41Å; L82-Y84 HydrophobicContact CD1-CE2 4.1Å; L82-L174 HydrophobicContact CD1-CD1 4.47Å; L82-H206 HydrophobicContact CD1-CB 4.14Å; L82-H206 VanDerWaalsContact CD2-CD2 3.48Å; L82-H206 WeakPolarHBondContact CD2-CD2 3.5Å; L82-H206 WeakPolarHBondContact CD2-NE2 3.47Å; L82-I261 HydrophobicContact CD2-CD1 4.07Å; L82-L275 HydrophobicContact CD2-CD2 4.07Å
83	G	94.5	Very high	92.2	Very high	58 Å²	58	59 Å²	59	60%	0.598	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	8.5	179.7	0	0	0	0	0	114.9	L79 Q80 D81	L79-G83 PolarHBondContact O-N 3.47Å; Q80-G83 PolarHBondContact O-N 3.1Å; D81-G83 VanDerWaalsContact C-N 3.33Å
84	Y	93.4	Very high	92.3	Very high	35 Å²	35	57 Å²	57	14%	0.137	33%	0.325	C	S	.	.			trans	-88.6	126.3	175.6	-53.5	-51.4	0	0	0	110.1	L79 L82 T92 H173 S205 H206	L79-Y84 CarbonylContact C-O 3.37Å; L79-Y84 HydrophobicContact CD2-CD2 4.32Å; L79-Y84 WeakPolarHBondContact O-CB 3.32Å; L79-Y84 PolarHBondContact O-N 3.47Å; L82-Y84 HydrophobicContact CB-CD2 3.66Å; L82-Y84 HydrophobicContact CB-CE2 3.66Å; L82-Y84 HydrophobicContact CD1-CD2 4.41Å; L82-Y84 HydrophobicContact CD1-CE2 4.1Å; Y84-T92 HydrophobicContact CD2-CG2 4.29Å; Y84-T92 HydrophobicContact CG-CG2 4.01Å; Y84-H173 HydrophobicContact CD1-CB 4.37Å; Y84-H173 AromaticContact CD1-CD2 3.86Å; Y84-H173 HydrophobicContact CD2-CB 4.31Å; Y84-H173 HydrophobicContact CE1-CB 3.98Å; Y84-H173 AromaticContact CE1-CD2 3.34Å; Y84-H173 WeakPolarHBondContact CE1-CD2 3.44Å; Y84-H173 AromaticContact CE1-CG 3.99Å; Y84-H173 HydrophobicContact CE2-CB 3.86Å; Y84-H173 AromaticContact CZ-CD2 3.83Å; Y84-H173 PolarHBondContact OH-O 2.87Å; Y84-S205 VanDerWaalsContact OH-CB 3.25Å; Y84-S205 WeakPolarHBondContact OH-CB 3.16Å; Y84-H206 AromaticContact CE2-CE1 3.95Å; Y84-H206 AromaticContact CE2-ND1 3.6Å; Y84-H206 AromaticContact CZ-CE1 3.84Å; Y84-H206 AromaticContact CZ-ND1 3.66Å; Y84-H206 PolarHBondContact OH-CE1 3.42Å; Y84-H206 PolarHBondContact OH-ND1 2.94Å
85	R	83.2	Confident	92.3	Very high	210 Å²	210	56.7 Å²	56.7	79%	0.792	32%	0.324	S	S	*	.			trans	-107.7	128.1	-179.2	-64.3	-175.9	-179.1	-168.3	-0	109.3
86	D	82.8	Confident	92.4	Very high	67 Å²	67	55.2 Å²	55.2	36%	0.358	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	144.5	169.4	-166.6	13.9	0	0	0	110.2	G88 S119 T120 V121	D86-G88 VanDerWaalsContact C-N 3.34Å; D86-S119 WeakPolarHBondContact OD1-CA 3.23Å; D86-S119 WeakPolarHBondContact OD1-CB 3.48Å; D86-S119 PolarHBondContact OD1-OG 3.26Å; D86-T120 PolarHBondContact OD1-N 2.86Å; D86-T120 VanDerWaalsContact OD1-N 3.1Å; D86-V121 HydrophobicContact CB-CG2 4.31Å
87	G	76.6	Confident	92.5	Very high	58 Å²	58	52.9 Å²	52.9	60%	0.598	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	17.8	-177.9	0	0	0	0	0	115.3
88	G	77.3	Confident	92.6	Very high	32 Å²	32	51.2 Å²	51.2	33%	0.33	29%	0.289	S	S	.	.	S	Bend	trans	-85.2	172.3	170	0	0	0	0	0	113	D86 E90 T120	D86-G88 VanDerWaalsContact C-N 3.34Å; G88-E90 PolarHBondContact O-N 2.78Å; G88-T120 VanDerWaalsContact O-CG2 3.32Å; G88-T120 WeakPolarHBondContact O-CG2 3.44Å
89	D	81	Confident	92.6	Very high	170 Å²	170	51.1 Å²	51.1	91%	0.909	29%	0.289	S	S	*	.	S	Bend	trans	-66.6	-23.6	178	-64.6	-34.7	0	0	0	113.2
90	E	88.8	Confident	92.7	Very high	140 Å²	140	51 Å²	51	65%	0.654	29%	0.288	S	S	*	.	S	Bend	trans	-104	136.4	-177	-64.2	-66.2	157.9	0	0	111.3	G88	G88-E90 PolarHBondContact O-N 2.78Å
91	P	95.3	Very high	92.8	Very high	21 Å²	21	45.5 Å²	45.5	14%	0.136	26%	0.263	C	S	.	.			trans	-74.3	146.5	179.9	29.8	-33.4	0	0	0	112.2	L93 T120 H167 H173	P91-L93 HydrophobicContact CB-CD2 4.18Å; P91-T120 CarbonylContact C-O 3.55Å; P91-T120 WeakPolarHBondContact CA-O 3.3Å; P91-T120 WeakPolarHBondContact CB-O 3.34Å; P91-H167 HydrophobicContact CG-CB 4.16Å; P91-H167 WeakPolarHBondContact CG-O 3.31Å; P91-H173 PolarHBondContact O-CE1 3.29Å
92	T	97.6	Very high	92.9	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.6	168.1	-60.4	0	0	0	0	109.1	L79 Y84 T120 V121 H122 H173	L79-T92 HydrophobicContact CD2-CG2 4.3Å; Y84-T92 HydrophobicContact CD2-CG2 4.29Å; Y84-T92 HydrophobicContact CG-CG2 4.01Å; T92-T120 PolarHBondContact N-O 2.93Å; T92-V121 HydrophobicContact CG2-CG1 4.46Å; T92-V121 CarbonylContact O-C 3.57Å; T92-V121 VanDerWaalsContact O-CA 3.28Å; T92-V121 WeakPolarHBondContact O-CA 3.25Å; T92-H122 PolarHBondContact O-N 3.37Å; T92-H173 HydrophobicContact CG2-CB 3.95Å
93	L	98.6	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.6	-173.3	-55.5	-174.1	0	0	0	111.3	P91 H122 F163 L164 H167 C169 F172 H173 L174	P91-L93 HydrophobicContact CB-CD2 4.18Å; L93-H122 CarbonylContact C-O 3.44Å; L93-H122 WeakPolarHBondContact CA-O 3.46Å; L93-H122 HydrophobicContact CD2-CB 3.86Å; L93-F163 HydrophobicContact CD1-CE1 4.33Å; L93-F163 HydrophobicContact CD2-CE1 4.15Å; L93-L164 HydrophobicContact CD1-CD2 3.69Å; L93-H167 HydrophobicContact CD1-CB 3.82Å; L93-H167 HydrophobicContact CD2-CB 3.85Å; L93-H167 HydrophobicContact CG-CB 4.39Å; L93-C169 HydrophobicContact CD1-CB 3.42Å; L93-C169 VanDerWaalsContact CD1-CB 3.42Å; L93-C169 VanDerWaalsContact CD1-SG 3.57Å; L93-C169 HydrophobicContact CG-CB 4.4Å; L93-F172 HydrophobicContact CB-CD1 3.88Å; L93-F172 HydrophobicContact CB-CE1 4.47Å; L93-H173 PolarHBondContact N-ND1 3.2Å; L93-H173 WeakPolarHBondContact O-CA 3.36Å; L93-H173 WeakPolarHBondContact O-CB 3.5Å; L93-H173 PolarHBondContact O-N 2.94Å; L93-L174 PolarHBondContact O-N 3.23Å; L93-L174 VanDerWaalsContact O-N 3.16Å
94	I	98.8	Very high	93.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.9	176.7	-52.7	177.6	0	0	0	108.6	L79 L112 V121 H122 L123 L124 L174 L176	L79-I94 HydrophobicContact CD1-CD1 4.39Å; L79-I94 HydrophobicContact CD2-CD1 4.28Å; I94-L112 HydrophobicContact CD1-CD1 4.16Å; I94-V121 HydrophobicContact CD1-CG1 3.75Å; I94-V121 HydrophobicContact CG1-CG1 4.15Å; I94-H122 PolarHBondContact N-O 2.6Å; I94-L123 HydrophobicContact CB-CB 4.14Å; I94-L123 HydrophobicContact CB-CD1 4.19Å; I94-L123 HydrophobicContact CB-CG 4.03Å; I94-L123 HydrophobicContact CG2-CD1 3.83Å; I94-L123 HydrophobicContact CG2-CG 4.02Å; I94-L123 CarbonylContact O-C 3.59Å; I94-L123 WeakPolarHBondContact O-CA 3.41Å; I94-L124 PolarHBondContact O-N 2.89Å; I94-L174 CarbonylContact C-O 3.58Å; I94-L174 VanDerWaalsContact CA-O 3.22Å; I94-L174 WeakPolarHBondContact CA-O 3.12Å; I94-L174 HydrophobicContact CG1-CB 4.43Å; I94-L176 HydrophobicContact CG2-CD1 3.75Å; I94-L176 HydrophobicContact CG2-CG 3.92Å
95	L	98.9	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.4	170.7	-176.8	66.1	0	0	0	109.1	V97 L124 F126 L160 F172 L174 C175 L176 I203	L95-V97 HydrophobicContact CD2-CG2 4.35Å; L95-V97 HydrophobicContact CG-CG2 4.4Å; L95-L124 CarbonylContact C-O 3.6Å; L95-L124 WeakPolarHBondContact CA-O 3.12Å; L95-L124 HydrophobicContact CD1-CB 4.24Å; L95-L124 HydrophobicContact CD1-CD2 4.06Å; L95-L124 HydrophobicContact CD1-CG 4.22Å; L95-F126 HydrophobicContact CD1-CD1 3.78Å; L95-F126 HydrophobicContact CD1-CE1 3.87Å; L95-F126 HydrophobicContact CD2-CE1 4.13Å; L95-F126 HydrophobicContact CG-CD1 4.43Å; L95-F126 HydrophobicContact CG-CE1 4.08Å; L95-L160 HydrophobicContact CD1-CD2 3.81Å; L95-L160 HydrophobicContact CD2-CD1 4.35Å; L95-F172 HydrophobicContact CB-CB 4.36Å; L95-F172 HydrophobicContact CB-CD1 3.65Å; L95-F172 HydrophobicContact CB-CD2 4.16Å; L95-F172 HydrophobicContact CB-CE1 3.9Å; L95-F172 HydrophobicContact CB-CE2 4.39Å; L95-F172 HydrophobicContact CB-CG 3.78Å; L95-F172 HydrophobicContact CB-CZ 4.27Å; L95-F172 HydrophobicContact CD1-CE1 4.07Å; L95-F172 HydrophobicContact CD1-CE2 4.27Å; L95-F172 HydrophobicContact CD1-CZ 3.87Å; L95-F172 HydrophobicContact CD2-CD2 4.04Å; L95-F172 HydrophobicContact CD2-CE2 4Å; L95-F172 HydrophobicContact CD2-CZ 4.42Å; L95-F172 HydrophobicContact CG-CE1 4.49Å; L95-F172 HydrophobicContact CG-CE2 4.47Å; L95-F172 HydrophobicContact CG-CZ 4.43Å; L95-L174 PolarHBondContact N-O 3.08Å; L95-C175 VanDerWaalsContact CD2-SG 3.59Å; L95-C175 CarbonylContact O-C 3.47Å; L95-C175 WeakPolarHBondContact O-CA 3.43Å; L95-L176 PolarHBondContact O-N 3.29Å; L95-I203 HydrophobicContact CD2-CD1 3.73Å
96	D	98.9	Very high	94.2	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.4	171.8	-169.2	20.6	0	0	0	111.2	S105 L123 L124 G125 F126 L176	D96-S105 VanDerWaalsContact OD2-CB 3.31Å; D96-S105 WeakPolarHBondContact OD2-CB 3.42Å; D96-S105 PolarHBondContact OD2-OG 3.29Å; D96-L123 HydrophobicContact CB-CD2 4.17Å; D96-L124 PolarHBondContact N-O 2.94Å; D96-G125 WeakPolarHBondContact O-CA 3.08Å; D96-F126 PolarHBondContact O-N 2.83Å; D96-L176 HydrophobicContact CB-CB 4.5Å; D96-L176 HydrophobicContact CB-CD1 4.17Å
97	V	98.6	Very high	94.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.8	-176.8	176.3	0	0	0	0	108.9	L95 F126 L176 V180 L196 L200	L95-V97 HydrophobicContact CD2-CG2 4.35Å; L95-V97 HydrophobicContact CG-CG2 4.4Å; V97-F126 HydrophobicContact CB-CE1 4.22Å; V97-F126 HydrophobicContact CB-CZ 3.89Å; V97-F126 HydrophobicContact CG1-CE1 4.44Å; V97-F126 HydrophobicContact CG1-CE2 4.09Å; V97-F126 HydrophobicContact CG1-CZ 3.63Å; V97-F126 HydrophobicContact CG2-CE1 3.81Å; V97-F126 HydrophobicContact CG2-CZ 3.77Å; V97-L176 WeakPolarHBondContact CB-O 3.11Å; V97-L176 WeakPolarHBondContact CG2-O 3.4Å; V97-L176 PolarHBondContact N-O 3.41Å; V97-V180 HydrophobicContact CG1-CB 4.47Å; V97-V180 HydrophobicContact CG1-CG1 4.11Å; V97-V180 HydrophobicContact CG1-CG2 4.42Å; V97-V180 WeakPolarHBondContact O-CG2 3.33Å; V97-L196 HydrophobicContact CG1-CD1 4.45Å; V97-L200 HydrophobicContact CG2-CD1 4.1Å; V97-L200 HydrophobicContact CG2-CD2 3.53Å; V97-L200 HydrophobicContact CG2-CG 4.47Å
98	G	98.2	Very high	95.9	Very high	24 Å²	24	24.7 Å²	24.7	25%	0.247	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	55.1	-179.4	0	0	0	0	0	112.1	N100 F126	G98-N100 PolarHBondContact O-N 3.14Å; G98-N100 VanDerWaalsContact O-N 3.12Å; G98-F126 CarbonylContact C-O 3.53Å; G98-F126 WeakPolarHBondContact CA-O 3.4Å; G98-F126 PolarHBondContact N-O 2.92Å
99	C	98.3	Very high	96.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.			trans	-64.8	-14.3	-172.8	64.7	0	0	0	0	114.1	Y62 S101 G102 S105 F126 F148	Y62-C99 PolarHBondContact OH-O 3.27Å; C99-S101 PolarHBondContact O-N 2.81Å; C99-G102 PolarHBondContact O-N 2.95Å; C99-S105 WeakPolarHBondContact CB-OG 3.23Å; C99-F126 PolarHBondContact N-O 3.12Å; C99-F148 HydrophobicContact CB-CD1 4.17Å; C99-F148 HydrophobicContact CB-CE1 4.14Å
100	N	98.2	Very high	97.7	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-132.2	-172.9	-167.6	-95.9	0	0	0	109.5	F58 Y62 G98 G102 D127 L132	F58-N100 PolarHBondContact O-ND2 2.84Å; F58-N100 VanDerWaalsContact O-ND2 3.16Å; F58-N100 PolarHBondContact O-OD1 3.28Å; Y62-N100 HydrophobicContact CE2-CB 4.03Å; G98-N100 PolarHBondContact O-N 3.14Å; G98-N100 VanDerWaalsContact O-N 3.12Å; N100-G102 PolarHBondContact O-N 2.81Å; N100-D127 VanDerWaalsContact CA-OD2 3.23Å; N100-D127 WeakPolarHBondContact CA-OD2 3.41Å; N100-D127 PolarHBondContact N-OD2 3.46Å; N100-L132 VanDerWaalsContact ND2-CD1 3.3Å; N100-L132 WeakPolarHBondContact ND2-CD1 3.39Å
101	S	97.4	Very high	98.1	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.014	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	13	175.1	54.5	0	0	0	0	115.3	Y62 C99 D103 A136	Y62-S101 WeakPolarHBondContact CD2-OG 3.34Å; C99-S101 PolarHBondContact O-N 2.81Å; S101-D103 VanDerWaalsContact C-N 3.28Å; S101-D103 WeakPolarHBondContact CB-OD2 3.39Å; S101-D103 PolarHBondContact O-N 2.79Å; S101-D103 PolarHBondContact OG-OD2 2.82Å; S101-A136 WeakPolarHBondContact O-CA 3.38Å
102	G	98.2	Very high	98.1	Very high	2 Å²	2	16 Å²	16	2%	0.021	9%	0.088	C	C	.	.	S	Bend	trans	78.4	-3.8	172.2	0	0	0	0	0	116.2	C99 N100 L104 S105 V106	C99-G102 PolarHBondContact O-N 2.95Å; N100-G102 PolarHBondContact O-N 2.81Å; G102-L104 PolarHBondContact O-N 3.14Å; G102-S105 WeakPolarHBondContact O-CB 3.31Å; G102-S105 PolarHBondContact O-N 3.49Å; G102-S105 VanDerWaalsContact O-N 3.13Å; G102-V106 PolarHBondContact O-N 3.23Å
103	D	98.4	Very high	98	Very high	66 Å²	66	15.8 Å²	15.8	35%	0.353	9%	0.087	S	C	.	.	H	α-helix	trans	-58.4	-45.4	-175.3	-53.7	-127	0	0	0	112.4	Y62 P67 S101 A107	Y62-D103 HydrophobicContact CD1-CB 4.26Å; Y62-D103 HydrophobicContact CD2-CB 3.41Å; Y62-D103 VanDerWaalsContact CD2-CB 3.41Å; Y62-D103 WeakPolarHBondContact CD2-OD2 3.46Å; Y62-D103 HydrophobicContact CE2-CB 3.69Å; Y62-D103 WeakPolarHBondContact CE2-OD2 3.5Å; Y62-D103 HydrophobicContact CG-CB 3.69Å; P67-D103 HydrophobicContact CG-CB 4.44Å; S101-D103 VanDerWaalsContact C-N 3.28Å; S101-D103 WeakPolarHBondContact CB-OD2 3.39Å; S101-D103 PolarHBondContact O-N 2.79Å; S101-D103 PolarHBondContact OG-OD2 2.82Å; D103-A107 WeakPolarHBondContact O-CB 3.5Å; D103-A107 PolarHBondContact O-N 3.16Å
104	L	98.4	Very high	97.2	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-70.4	-35.9	177.4	177.9	62.8	0	0	0	111.9	Y62 P67 R70 G102 A107 I108 L178	Y62-L104 HydrophobicContact CD1-CB 4.31Å; Y62-L104 HydrophobicContact CE1-CB 3.39Å; Y62-L104 HydrophobicContact CE1-CD2 4.44Å; Y62-L104 WeakPolarHBondContact OH-CB 3.19Å; P67-L104 HydrophobicContact CB-CD1 3.83Å; R70-L104 HydrophobicContact CB-CD1 4.42Å; G102-L104 PolarHBondContact O-N 3.14Å; L104-A107 PolarHBondContact O-N 3.04Å; L104-I108 HydrophobicContact CD1-CD1 3.8Å; L104-I108 HydrophobicContact CD1-CG1 3.82Å; L104-I108 HydrophobicContact CD2-CD1 4.39Å; L104-I108 HydrophobicContact CG-CD1 3.75Å; L104-I108 HydrophobicContact CG-CG1 4.18Å; L104-I108 WeakPolarHBondContact O-CB 3.46Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 2.91Å; L104-L178 HydrophobicContact CD2-CB 4.31Å; L104-L178 HydrophobicContact CD2-CD1 3.79Å; L104-L178 HydrophobicContact CG-CD1 4.48Å
105	S	98.7	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-50	177.6	-35.6	0	0	0	0	110.7	D96 C99 G102 A107 I108 Y109	D96-S105 VanDerWaalsContact OD2-CB 3.31Å; D96-S105 WeakPolarHBondContact OD2-CB 3.42Å; D96-S105 PolarHBondContact OD2-OG 3.29Å; C99-S105 WeakPolarHBondContact CB-OG 3.23Å; G102-S105 WeakPolarHBondContact O-CB 3.31Å; G102-S105 PolarHBondContact O-N 3.49Å; G102-S105 VanDerWaalsContact O-N 3.13Å; S105-A107 PolarHBondContact O-N 3.41Å; S105-I108 PolarHBondContact O-N 2.8Å; S105-Y109 PolarHBondContact O-N 3.39Å
106	V	98.4	Very high	95.6	Very high	18 Å²	18	31.6 Å²	31.6	11%	0.109	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-41.5	176.2	172.2	0	0	0	0	111.1	G102 Y109 K110 P141 L142 V146 F148	G102-V106 PolarHBondContact O-N 3.23Å; V106-Y109 PolarHBondContact O-N 3.4Å; V106-K110 HydrophobicContact CG1-CD 4.21Å; V106-K110 WeakPolarHBondContact O-CG 3.5Å; V106-K110 PolarHBondContact O-N 3.11Å; V106-P141 HydrophobicContact CG1-CG 3.93Å; V106-L142 HydrophobicContact CG1-CD1 4.26Å; V106-V146 HydrophobicContact CG2-CG1 4.48Å; V106-F148 HydrophobicContact CG2-CZ 4.21Å
107	A	98.3	Very high	94.5	Very high	21 Å²	21	35.2 Å²	35.2	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-39.6	-179.7	0	0	0	0	0	112.1	P67 L71 D103 L104 S105 H111	P67-A107 HydrophobicContact CB-CB 3.76Å; P67-A107 HydrophobicContact CG-CB 4.24Å; L71-A107 HydrophobicContact CD1-CB 3.85Å; D103-A107 WeakPolarHBondContact O-CB 3.5Å; D103-A107 PolarHBondContact O-N 3.16Å; L104-A107 PolarHBondContact O-N 3.04Å; S105-A107 PolarHBondContact O-N 3.41Å; A107-H111 VanDerWaalsContact O-CB 3.23Å; A107-H111 WeakPolarHBondContact O-CB 3.4Å; A107-H111 PolarHBondContact O-N 3.21Å
108	I	98.4	Very high	93.7	Very high	2 Å²	2	43 Å²	43	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-46.2	172.1	-75.2	174.8	0	0	0	110.2	L71 L104 S105 K110 H111 L112 L176 L178	L71-I108 HydrophobicContact CD2-CB 4.42Å; L71-I108 HydrophobicContact CD2-CG1 3.62Å; L104-I108 HydrophobicContact CD1-CD1 3.8Å; L104-I108 HydrophobicContact CD1-CG1 3.82Å; L104-I108 HydrophobicContact CD2-CD1 4.39Å; L104-I108 HydrophobicContact CG-CD1 3.75Å; L104-I108 HydrophobicContact CG-CG1 4.18Å; L104-I108 WeakPolarHBondContact O-CB 3.46Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 2.91Å; S105-I108 PolarHBondContact O-N 2.8Å; I108-K110 PolarHBondContact O-N 2.8Å; I108-H111 WeakPolarHBondContact O-CB 3.43Å; I108-H111 PolarHBondContact O-N 3.34Å; I108-H111 VanDerWaalsContact O-N 3.1Å; I108-L112 HydrophobicContact CG2-CD1 3.63Å; I108-L112 HydrophobicContact CG2-CG 4.15Å; I108-L112 WeakPolarHBondContact O-CG 3.45Å; I108-L112 PolarHBondContact O-N 3.32Å; I108-L176 HydrophobicContact CD1-CD1 3.79Å; I108-L176 HydrophobicContact CG2-CD1 3.96Å; I108-L178 HydrophobicContact CD1-CD1 3.56Å
109	Y	98.2	Very high	93.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-51.6	178.4	-173.6	-81.2	0	0	0	111	S105 V106 H111 L112 V113 P116 S119 V121 L123 L142 N145 V146	S105-Y109 PolarHBondContact O-N 3.39Å; V106-Y109 PolarHBondContact O-N 3.4Å; Y109-H111 PolarHBondContact O-N 2.89Å; Y109-L112 PolarHBondContact O-N 2.78Å; Y109-V113 HydrophobicContact CD1-CB 4.1Å; Y109-V113 HydrophobicContact CD1-CG2 4.26Å; Y109-V113 HydrophobicContact CD2-CG2 4.27Å; Y109-V113 HydrophobicContact CE1-CB 3.72Å; Y109-V113 HydrophobicContact CE1-CG1 3.81Å; Y109-V113 HydrophobicContact CE1-CG2 3.95Å; Y109-V113 HydrophobicContact CE2-CG2 3.96Å; Y109-V113 HydrophobicContact CG-CG2 4.42Å; Y109-V113 VanDerWaalsContact O-CB 3.31Å; Y109-V113 WeakPolarHBondContact O-CB 3.28Å; Y109-V113 PolarHBondContact O-N 2.95Å; Y109-P116 HydrophobicContact CE1-CB 3.96Å; Y109-P116 HydrophobicContact CE1-CG 4.1Å; Y109-S119 WeakPolarHBondContact OH-CB 3.36Å; Y109-S119 PolarHBondContact OH-OG 2.85Å; Y109-V121 HydrophobicContact CE2-CB 4.16Å; Y109-V121 HydrophobicContact CE2-CG1 4.06Å; Y109-V121 WeakPolarHBondContact CE2-O 3.25Å; Y109-V121 PolarHBondContact OH-O 2.83Å; Y109-V121 VanDerWaalsContact OH-O 3.08Å; Y109-L123 HydrophobicContact CD2-CB 3.99Å; Y109-L142 HydrophobicContact CD1-CD1 3.48Å; Y109-L142 VanDerWaalsContact CD1-CD1 3.48Å; Y109-L142 HydrophobicContact CE1-CD1 4.05Å; Y109-L142 HydrophobicContact CG-CD1 4.19Å; Y109-N145 HydrophobicContact CE1-CB 4.25Å; Y109-N145 HydrophobicContact CE2-CB 3.74Å; Y109-N145 VanDerWaalsContact CZ-CB 3.45Å; Y109-N145 WeakPolarHBondContact OH-CB 3.44Å; Y109-N145 PolarHBondContact OH-ND2 2.96Å; Y109-N145 VanDerWaalsContact OH-ND2 3.13Å; Y109-V146 HydrophobicContact CD1-CG2 4.24Å; Y109-V146 HydrophobicContact CD2-CG2 3.68Å; Y109-V146 HydrophobicContact CE2-CG2 4.25Å; Y109-V146 HydrophobicContact CG-CG2 3.67Å
110	K	97	Very high	93.2	Very high	114 Å²	114	44 Å²	44	50%	0.496	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-27.8	177.6	-71.1	178	177.3	178.4	0	113.7	V106 I108 L142	V106-K110 HydrophobicContact CG1-CD 4.21Å; V106-K110 WeakPolarHBondContact O-CG 3.5Å; V106-K110 PolarHBondContact O-N 3.11Å; I108-K110 PolarHBondContact O-N 2.8Å; K110-L142 HydrophobicContact CG-CD1 3.96Å
111	H	97.2	Very high	93.1	Very high	52 Å²	52	43.6 Å²	43.6	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-76.4	-33.6	178	-178	81.2	0	0	0	112.5	L71 I74 A76 A107 I108 Y109	L71-H111 HydrophobicContact CD1-CB 4.38Å; L71-H111 HydrophobicContact CD2-CB 3.91Å; I74-H111 PolarHBondContact O-CE1 3.1Å; I74-H111 PolarHBondContact O-NE2 2.98Å; A76-H111 WeakPolarHBondContact CB-O 3.46Å; A76-H111 PolarHBondContact N-NE2 2.94Å; A107-H111 VanDerWaalsContact O-CB 3.23Å; A107-H111 WeakPolarHBondContact O-CB 3.4Å; A107-H111 PolarHBondContact O-N 3.21Å; I108-H111 WeakPolarHBondContact O-CB 3.43Å; I108-H111 PolarHBondContact O-N 3.34Å; I108-H111 VanDerWaalsContact O-N 3.1Å; Y109-H111 PolarHBondContact O-N 2.89Å
112	L	96.3	Very high	93.1	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-92.9	-25.1	-177.8	-63.1	-177.4	0	0	0	113.4	I74 L78 L79 I94 I108 Y109 L174	I74-L112 HydrophobicContact CG2-CD2 4.22Å; L78-L112 HydrophobicContact CB-CD2 3.75Å; L78-L112 HydrophobicContact CD2-CD2 4.44Å; L79-L112 HydrophobicContact CD1-CB 3.96Å; L79-L112 HydrophobicContact CD2-CD1 4.39Å; L79-L112 HydrophobicContact CG-CB 4.19Å; L79-L112 HydrophobicContact CG-CD1 4.23Å; I94-L112 HydrophobicContact CD1-CD1 4.16Å; I108-L112 HydrophobicContact CG2-CD1 3.63Å; I108-L112 HydrophobicContact CG2-CG 4.15Å; I108-L112 WeakPolarHBondContact O-CG 3.45Å; I108-L112 PolarHBondContact O-N 3.32Å; Y109-L112 PolarHBondContact O-N 2.78Å; L112-L174 HydrophobicContact CD1-CD2 4.46Å
113	V	94.8	Very high	93.2	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	25%	0.245	C	C	.	.			trans	-118.8	114.8	-174	-178.5	0	0	0	0	109.4	L79 Y109 P116 S119 V121	L79-V113 HydrophobicContact CD1-CG2 4.5Å; Y109-V113 HydrophobicContact CD1-CB 4.1Å; Y109-V113 HydrophobicContact CD1-CG2 4.26Å; Y109-V113 HydrophobicContact CD2-CG2 4.27Å; Y109-V113 HydrophobicContact CE1-CB 3.72Å; Y109-V113 HydrophobicContact CE1-CG1 3.81Å; Y109-V113 HydrophobicContact CE1-CG2 3.95Å; Y109-V113 HydrophobicContact CE2-CG2 3.96Å; Y109-V113 HydrophobicContact CG-CG2 4.42Å; Y109-V113 VanDerWaalsContact O-CB 3.31Å; Y109-V113 WeakPolarHBondContact O-CB 3.28Å; Y109-V113 PolarHBondContact O-N 2.95Å; V113-P116 HydrophobicContact CG1-CG 4.45Å; V113-S119 WeakPolarHBondContact CG1-OG 3.48Å; V113-V121 HydrophobicContact CG2-CB 3.81Å; V113-V121 HydrophobicContact CG2-CG1 3.95Å; V113-V121 HydrophobicContact CG2-CG2 3.89Å
114	Q	81.5	Confident	93.2	Very high	163 Å²	163	42.2 Å²	42.2	76%	0.762	23%	0.229	S	C	*	.	S	Bend	trans	-79.1	-36.2	-176.1	-63.7	-173.6	8.7	0	0	112.7	P116	Q114-P116 WeakPolarHBondContact O-CD 3.2Å
115	E	84.9	Confident	93.2	Very high	134 Å²	134	42 Å²	42	63%	0.626	23%	0.228	S	C	*	.			trans	-127.4	79.1	-174.7	-64.4	-172.6	173	0	0	111.5	G117 E118 S119	E115-G117 VanDerWaalsContact C-N 3.26Å; E115-G117 PolarHBondContact O-N 3.37Å; E115-G117 VanDerWaalsContact O-N 3.11Å; E115-E118 PolarHBondContact O-N 3.44Å; E115-S119 PolarHBondContact O-N 3Å
116	P	79.5	Confident	93.2	Very high	35 Å²	35	42.2 Å²	42.2	23%	0.227	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57.9	-29.9	-172.2	-28.9	36.2	0	0	0	116.1	Y109 V113 Q114 E118 S119 L142 N145	Y109-P116 HydrophobicContact CE1-CB 3.96Å; Y109-P116 HydrophobicContact CE1-CG 4.1Å; V113-P116 HydrophobicContact CG1-CG 4.45Å; Q114-P116 WeakPolarHBondContact O-CD 3.2Å; P116-E118 VanDerWaalsContact C-N 3.27Å; P116-E118 PolarHBondContact O-N 3.49Å; P116-S119 PolarHBondContact O-N 2.95Å; P116-L142 HydrophobicContact CB-CD2 3.87Å; P116-L142 HydrophobicContact CG-CD2 4.15Å; P116-N145 PolarHBondContact O-OD1 3.02Å
117	G	76.7	Confident	93.2	Very high	79 Å²	79	42.2 Å²	42.2	81%	0.814	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-69.8	-20.1	-172.9	0	0	0	0	0	115	E115	E115-G117 VanDerWaalsContact C-N 3.26Å; E115-G117 PolarHBondContact O-N 3.37Å; E115-G117 VanDerWaalsContact O-N 3.11Å
118	E	81.8	Confident	93.1	Very high	164 Å²	164	44 Å²	44	77%	0.766	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-119.1	6.6	178.2	-60	-174.3	-179.6	0	0	111.7	E115 P116	E115-E118 PolarHBondContact O-N 3.44Å; P116-E118 VanDerWaalsContact C-N 3.27Å; P116-E118 PolarHBondContact O-N 3.49Å
119	S	90.1	Very high	93	Very high	11 Å²	11	45.7 Å²	45.7	8%	0.077	24%	0.243	C	C	.	.			trans	-74.5	137.3	-173.2	164	0	0	0	0	112.1	D86 Y109 V113 E115 P116 V121 N145	D86-S119 WeakPolarHBondContact OD1-CA 3.23Å; D86-S119 WeakPolarHBondContact OD1-CB 3.48Å; D86-S119 PolarHBondContact OD1-OG 3.26Å; Y109-S119 WeakPolarHBondContact OH-CB 3.36Å; Y109-S119 PolarHBondContact OH-OG 2.85Å; V113-S119 WeakPolarHBondContact CG1-OG 3.48Å; E115-S119 PolarHBondContact O-N 3Å; P116-S119 PolarHBondContact O-N 2.95Å; S119-V121 VanDerWaalsContact C-N 3.32Å; S119-V121 VanDerWaalsContact OG-CB 3.29Å; S119-V121 WeakPolarHBondContact OG-CB 3.4Å; S119-V121 PolarHBondContact OG-N 3.5Å; S119-N145 PolarHBondContact O-ND2 2.93Å; S119-N145 VanDerWaalsContact O-ND2 3.13Å
120	T	94.1	Very high	93	Very high	33 Å²	33	50.8 Å²	50.8	20%	0.202	27%	0.267	C	S	.	.			trans	-95.6	8	170	62.3	0	0	0	0	112.2	D86 G88 P91 T92 H122	D86-T120 PolarHBondContact OD1-N 2.86Å; D86-T120 VanDerWaalsContact OD1-N 3.1Å; G88-T120 VanDerWaalsContact O-CG2 3.32Å; G88-T120 WeakPolarHBondContact O-CG2 3.44Å; P91-T120 CarbonylContact C-O 3.55Å; P91-T120 WeakPolarHBondContact CA-O 3.3Å; P91-T120 WeakPolarHBondContact CB-O 3.34Å; T92-T120 PolarHBondContact N-O 2.93Å; T120-H122 PolarHBondContact O-CD2 2.92Å
121	V	97.3	Very high	92.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.5	170.2	-170.4	0	0	0	0	109.4	L79 D86 T92 I94 Y109 V113 S119 N145	L79-V121 HydrophobicContact CD1-CG1 4.09Å; L79-V121 HydrophobicContact CD1-CG2 4.01Å; D86-V121 HydrophobicContact CB-CG2 4.31Å; T92-V121 HydrophobicContact CG2-CG1 4.46Å; T92-V121 CarbonylContact O-C 3.57Å; T92-V121 VanDerWaalsContact O-CA 3.28Å; T92-V121 WeakPolarHBondContact O-CA 3.25Å; I94-V121 HydrophobicContact CD1-CG1 3.75Å; I94-V121 HydrophobicContact CG1-CG1 4.15Å; Y109-V121 HydrophobicContact CE2-CB 4.16Å; Y109-V121 HydrophobicContact CE2-CG1 4.06Å; Y109-V121 WeakPolarHBondContact CE2-O 3.25Å; Y109-V121 PolarHBondContact OH-O 2.83Å; Y109-V121 VanDerWaalsContact OH-O 3.08Å; V113-V121 HydrophobicContact CG2-CB 3.81Å; V113-V121 HydrophobicContact CG2-CG1 3.95Å; V113-V121 HydrophobicContact CG2-CG2 3.89Å; S119-V121 VanDerWaalsContact C-N 3.32Å; S119-V121 VanDerWaalsContact OG-CB 3.29Å; S119-V121 WeakPolarHBondContact OG-CB 3.4Å; S119-V121 PolarHBondContact OG-N 3.5Å; V121-N145 PolarHBondContact O-ND2 2.88Å
122	H	98	Very high	93	Very high	37 Å²	37	47.6 Å²	47.6	17%	0.171	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.3	172.2	-58.5	-87.3	0	0	0	110.2	T92 L93 I94 T120 N145 F163 H167	T92-H122 PolarHBondContact O-N 3.37Å; L93-H122 CarbonylContact C-O 3.44Å; L93-H122 WeakPolarHBondContact CA-O 3.46Å; L93-H122 HydrophobicContact CD2-CB 3.86Å; I94-H122 PolarHBondContact N-O 2.6Å; T120-H122 PolarHBondContact O-CD2 2.92Å; H122-N145 CarbonylContact C-O 3.52Å; H122-N145 VanDerWaalsContact CA-O 3.25Å; H122-N145 WeakPolarHBondContact CA-O 3.2Å; H122-F163 HydrophobicContact CB-CZ 4.12Å; H122-H167 AromaticContact CD2-CE1 3.4Å; H122-H167 PolarHBondContact CD2-CE1 3.5Å; H122-H167 AromaticContact CD2-ND1 3.54Å; H122-H167 AromaticContact CE1-CE1 3.65Å; H122-H167 AromaticContact CG-CE1 3.39Å; H122-H167 AromaticContact CG-ND1 3.96Å; H122-H167 AromaticContact CG-NE2 3.97Å; H122-H167 AromaticContact ND1-CE1 3.54Å; H122-H167 AromaticContact NE2-CE1 3.55Å; H122-H167 AromaticContact NE2-ND1 3.75Å
123	L	98.8	Very high	93	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.2	175.2	-173.3	154.2	0	0	0	109.6	I94 D96 Y109 N145 V146 S147 L176	I94-L123 HydrophobicContact CB-CB 4.14Å; I94-L123 HydrophobicContact CB-CD1 4.19Å; I94-L123 HydrophobicContact CB-CG 4.03Å; I94-L123 HydrophobicContact CG2-CD1 3.83Å; I94-L123 HydrophobicContact CG2-CG 4.02Å; I94-L123 CarbonylContact O-C 3.59Å; I94-L123 WeakPolarHBondContact O-CA 3.41Å; D96-L123 HydrophobicContact CB-CD2 4.17Å; Y109-L123 HydrophobicContact CD2-CB 3.99Å; L123-N145 PolarHBondContact N-O 3.47Å; L123-V146 HydrophobicContact CB-CG2 4.33Å; L123-V146 HydrophobicContact CD2-CG1 3.98Å; L123-V146 WeakPolarHBondContact O-CA 3.24Å; L123-S147 PolarHBondContact O-N 3.03Å; L123-L176 HydrophobicContact CD1-CD1 4.49Å
124	L	98.9	Very high	93.2	Very high	3 Å²	3	52 Å²	52	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.2	167	-179.8	65.8	0	0	0	108.9	I94 L95 D96 S147 I149 L160 F163 F172	I94-L124 PolarHBondContact O-N 2.89Å; L95-L124 CarbonylContact C-O 3.6Å; L95-L124 WeakPolarHBondContact CA-O 3.12Å; L95-L124 HydrophobicContact CD1-CB 4.24Å; L95-L124 HydrophobicContact CD1-CD2 4.06Å; L95-L124 HydrophobicContact CD1-CG 4.22Å; D96-L124 PolarHBondContact N-O 2.94Å; L124-S147 WeakPolarHBondContact CA-O 3.35Å; L124-I149 HydrophobicContact CD1-CD1 4.25Å; L124-I149 HydrophobicContact CD1-CG1 4.07Å; L124-I149 HydrophobicContact CD1-CG2 4.04Å; L124-I149 HydrophobicContact CD2-CD1 4.06Å; L124-I149 HydrophobicContact CG-CD1 4.49Å; L124-L160 HydrophobicContact CD2-CD2 3.77Å; L124-F163 HydrophobicContact CB-CD1 4.15Å; L124-F163 HydrophobicContact CB-CD2 4.21Å; L124-F163 HydrophobicContact CB-CE1 3.9Å; L124-F163 HydrophobicContact CB-CE2 3.96Å; L124-F163 HydrophobicContact CB-CG 4.29Å; L124-F163 HydrophobicContact CB-CZ 3.81Å; L124-F163 HydrophobicContact CD1-CD2 4.05Å; L124-F163 HydrophobicContact CD1-CE2 4.22Å; L124-F163 HydrophobicContact CD2-CB 3.85Å; L124-F163 HydrophobicContact CD2-CD1 4.03Å; L124-F163 HydrophobicContact CD2-CD2 4.01Å; L124-F163 HydrophobicContact CD2-CG 3.69Å; L124-F163 HydrophobicContact CG-CD2 4.32Å; L124-F163 HydrophobicContact CG-CE2 4.49Å; L124-F163 HydrophobicContact CG-CG 4.41Å; L124-F172 HydrophobicContact CB-CE1 4.43Å; L124-F172 HydrophobicContact CD2-CZ 4.23Å
125	G	98.8	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	146.6	166.5	0	0	0	0	0	110.7	D96 S147 F148 I149	D96-G125 WeakPolarHBondContact O-CA 3.08Å; G125-S147 PolarHBondContact N-O 3.44Å; G125-F148 CarbonylContact O-C 3.59Å; G125-F148 VanDerWaalsContact O-CA 3.25Å; G125-F148 WeakPolarHBondContact O-CA 3.27Å; G125-I149 PolarHBondContact O-N 3.37Å
126	F	98.7	Very high	94.6	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152	166.1	72	-98.3	0	0	0	112.6	L95 D96 V97 G98 C99 I149 L151 I153 L160	L95-F126 HydrophobicContact CD1-CD1 3.78Å; L95-F126 HydrophobicContact CD1-CE1 3.87Å; L95-F126 HydrophobicContact CD2-CE1 4.13Å; L95-F126 HydrophobicContact CG-CD1 4.43Å; L95-F126 HydrophobicContact CG-CE1 4.08Å; D96-F126 PolarHBondContact O-N 2.83Å; V97-F126 HydrophobicContact CB-CE1 4.22Å; V97-F126 HydrophobicContact CB-CZ 3.89Å; V97-F126 HydrophobicContact CG1-CE1 4.44Å; V97-F126 HydrophobicContact CG1-CE2 4.09Å; V97-F126 HydrophobicContact CG1-CZ 3.63Å; V97-F126 HydrophobicContact CG2-CE1 3.81Å; V97-F126 HydrophobicContact CG2-CZ 3.77Å; G98-F126 CarbonylContact C-O 3.53Å; G98-F126 WeakPolarHBondContact CA-O 3.4Å; G98-F126 PolarHBondContact N-O 2.92Å; C99-F126 PolarHBondContact N-O 3.12Å; F126-I149 WeakPolarHBondContact CA-O 3.5Å; F126-I149 HydrophobicContact CB-CD1 4.39Å; F126-I149 HydrophobicContact CB-CG1 3.63Å; F126-I149 VanDerWaalsContact CB-O 3.29Å; F126-I149 WeakPolarHBondContact CB-O 3.46Å; F126-L151 HydrophobicContact CB-CB 3.93Å; F126-L151 HydrophobicContact CD1-CD2 4.31Å; F126-L151 HydrophobicContact CD2-CB 3.93Å; F126-L151 HydrophobicContact CD2-CD2 3.57Å; F126-L151 HydrophobicContact CD2-CG 4.37Å; F126-L151 HydrophobicContact CE1-CD2 4.29Å; F126-L151 HydrophobicContact CE2-CD2 3.59Å; F126-L151 HydrophobicContact CG-CB 4.03Å; F126-L151 HydrophobicContact CG-CD2 3.96Å; F126-L151 HydrophobicContact CZ-CD2 3.94Å; F126-I153 HydrophobicContact CE1-CD1 4.21Å; F126-I153 HydrophobicContact CE2-CB 3.83Å; F126-I153 HydrophobicContact CE2-CD1 4.35Å; F126-I153 HydrophobicContact CE2-CG1 4.35Å; F126-I153 HydrophobicContact CZ-CB 3.87Å; F126-I153 HydrophobicContact CZ-CD1 3.6Å; F126-I153 HydrophobicContact CZ-CG1 3.86Å; F126-L160 HydrophobicContact CD1-CD2 4.22Å; F126-L160 HydrophobicContact CE1-CD2 4.47Å
127	D	98.5	Very high	95.5	Very high	17 Å²	17	43.3 Å²	43.3	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160.2	171.4	-153.1	-73.8	0	0	0	110.5	N100 D129 V133 I149 Q150 L151	N100-D127 VanDerWaalsContact CA-OD2 3.23Å; N100-D127 WeakPolarHBondContact CA-OD2 3.41Å; N100-D127 PolarHBondContact N-OD2 3.46Å; D127-D129 PolarHBondContact OD1-N 2.89Å; D127-D129 VanDerWaalsContact OD1-N 3.11Å; D127-V133 HydrophobicContact CB-CG2 3.77Å; D127-I149 PolarHBondContact N-O 2.74Å; D127-Q150 CarbonylContact O-C 3.6Å; D127-Q150 WeakPolarHBondContact O-CA 3.34Å; D127-L151 CarbonylContact C-O 3.49Å; D127-L151 PolarHBondContact O-N 2.8Å
128	L	96.6	Very high	96.5	Very high	60 Å²	60	46.9 Å²	46.9	31%	0.314	23%	0.23	S	C	.	.	S	Bend	trans	-74.3	-32.4	175.9	178.3	68	0	0	0	111.2	Y55 E130 Q150 D152	Y55-L128 HydrophobicContact CD1-CD2 3.98Å; Y55-L128 HydrophobicContact CD2-CD2 3.82Å; Y55-L128 HydrophobicContact CE1-CD2 4.31Å; Y55-L128 HydrophobicContact CE2-CD2 4.15Å; Y55-L128 HydrophobicContact CG-CD2 3.72Å; L128-E130 PolarHBondContact O-N 3.2Å; L128-Q150 PolarHBondContact O-NE2 2.94Å; L128-D152 HydrophobicContact CD1-CB 3.56Å
129	D	96.5	Very high	97.1	Very high	37 Å²	37	43.3 Å²	43.3	20%	0.198	22%	0.219	C	C	.	.			trans	-86.8	108	-175	-170.8	-41.4	0	0	0	111.2	N57 D127 T131 L132 V133	N57-D129 HydrophobicContact CB-CB 4.08Å; N57-D129 PolarHBondContact ND2-OD2 2.72Å; D127-D129 PolarHBondContact OD1-N 2.89Å; D127-D129 VanDerWaalsContact OD1-N 3.11Å; D129-T131 VanDerWaalsContact C-N 3.28Å; D129-T131 PolarHBondContact O-N 3.48Å; D129-T131 WeakPolarHBondContact OD1-CB 3.4Å; D129-T131 PolarHBondContact OD1-N 2.97Å; D129-L132 HydrophobicContact CB-CB 4.12Å; D129-L132 HydrophobicContact CB-CD1 3.89Å; D129-L132 HydrophobicContact CB-CG 3.97Å; D129-L132 PolarHBondContact O-N 3.12Å; D129-L132 VanDerWaalsContact O-N 3.13Å; D129-L132 PolarHBondContact OD1-N 3.38Å; D129-V133 WeakPolarHBondContact O-CG2 3.39Å; D129-V133 PolarHBondContact O-N 3.4Å; D129-V133 VanDerWaalsContact O-N 3.07Å
130	E	96.4	Very high	97.5	Very high	106 Å²	106	42.9 Å²	42.9	50%	0.495	22%	0.216	S	C	.	.	H	α-helix	trans	-56	-40.5	-179.6	-167.2	173.5	-164.9	0	0	112.6	L128 L132 V133 E134 Q150	L128-E130 PolarHBondContact O-N 3.2Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.3Å; E130-V133 PolarHBondContact O-N 3.39Å; E130-E134 WeakPolarHBondContact O-CG 3.25Å; E130-E134 PolarHBondContact O-N 2.98Å; E130-Q150 HydrophobicContact CB-CG 4.33Å
131	T	96.4	Very high	97.6	Very high	97 Å²	97	45 Å²	45	60%	0.595	23%	0.23	S	C	*	.	H	α-helix	trans	-65.9	-34.5	-179.1	-59.3	0	0	0	0	111.5	D129 R135	D129-T131 VanDerWaalsContact C-N 3.28Å; D129-T131 PolarHBondContact O-N 3.48Å; D129-T131 WeakPolarHBondContact OD1-CB 3.4Å; D129-T131 PolarHBondContact OD1-N 2.97Å; T131-R135 WeakPolarHBondContact O-CB 3.39Å; T131-R135 PolarHBondContact O-N 3.1Å; T131-R135 VanDerWaalsContact O-N 3.13Å
132	L	97.6	Very high	97.5	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-71.7	-38.9	174.4	-66	-178.2	0	0	0	112.1	N57 I59 N100 D129 E130 R135 A136	N57-L132 HydrophobicContact CB-CD1 3.68Å; I59-L132 HydrophobicContact CG1-CD2 4.27Å; N100-L132 VanDerWaalsContact ND2-CD1 3.3Å; N100-L132 WeakPolarHBondContact ND2-CD1 3.39Å; D129-L132 HydrophobicContact CB-CB 4.12Å; D129-L132 HydrophobicContact CB-CD1 3.89Å; D129-L132 HydrophobicContact CB-CG 3.97Å; D129-L132 PolarHBondContact O-N 3.12Å; D129-L132 VanDerWaalsContact O-N 3.13Å; D129-L132 PolarHBondContact OD1-N 3.38Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.3Å; L132-R135 WeakPolarHBondContact O-CB 3.32Å; L132-R135 PolarHBondContact O-N 3.38Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 3.34Å
133	V	98.3	Very high	97.4	Very high	11 Å²	11	49.8 Å²	49.8	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-45.9	174.8	172.7	0	0	0	0	111	D127 D129 E130 R135 A136 E137 F148 I149 Q150	D127-V133 HydrophobicContact CB-CG2 3.77Å; D129-V133 WeakPolarHBondContact O-CG2 3.39Å; D129-V133 PolarHBondContact O-N 3.4Å; D129-V133 VanDerWaalsContact O-N 3.07Å; E130-V133 PolarHBondContact O-N 3.39Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 3.05Å; V133-A136 WeakPolarHBondContact O-CB 3.47Å; V133-A136 PolarHBondContact O-N 3.38Å; V133-A136 VanDerWaalsContact O-N 3.08Å; V133-E137 PolarHBondContact O-N 3.48Å; V133-F148 HydrophobicContact CG1-CB 4.06Å; V133-I149 WeakPolarHBondContact CG2-O 3.28Å; V133-Q150 HydrophobicContact CG2-CB 4.47Å
134	E	98.1	Very high	97.2	Very high	96 Å²	96	53.9 Å²	53.9	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-57.5	-41.8	174.9	-74.4	179.9	162.7	0	0	111.4	E130 E137 Q138	E130-E134 WeakPolarHBondContact O-CG 3.25Å; E130-E134 PolarHBondContact O-N 2.98Å; E134-E137 PolarHBondContact O-N 3.08Å; E134-Q138 WeakPolarHBondContact O-CB 3.49Å; E134-Q138 WeakPolarHBondContact O-CG 3.41Å; E134-Q138 PolarHBondContact O-N 3Å
135	R	97.4	Very high	97	Very high	90 Å²	90	54.1 Å²	54.1	34%	0.34	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-40.2	175.2	-178.6	175.6	175.8	-170	-4.8	112.2	I59 T131 L132 V133 E137 Q138 T139	I59-R135 VanDerWaalsContact CG2-NH1 3.3Å; I59-R135 PolarHBondContact O-NH1 3.11Å; T131-R135 WeakPolarHBondContact O-CB 3.39Å; T131-R135 PolarHBondContact O-N 3.1Å; T131-R135 VanDerWaalsContact O-N 3.13Å; L132-R135 WeakPolarHBondContact O-CB 3.32Å; L132-R135 PolarHBondContact O-N 3.38Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 3.05Å; R135-E137 VanDerWaalsContact C-N 3.34Å; R135-Q138 PolarHBondContact O-N 3.24Å; R135-T139 WeakPolarHBondContact O-CG2 3.42Å; R135-T139 PolarHBondContact O-N 2.71Å; R135-T139 VanDerWaalsContact O-N 3.12Å; R135-T139 PolarHBondContact O-OG1 2.65Å
136	A	98.2	Very high	97	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-47.7	175.6	0	0	0	0	0	110.2	S101 L132 V133 T139 N140 F148	S101-A136 WeakPolarHBondContact O-CA 3.38Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 3.34Å; V133-A136 WeakPolarHBondContact O-CB 3.47Å; V133-A136 PolarHBondContact O-N 3.38Å; V133-A136 VanDerWaalsContact O-N 3.08Å; A136-T139 PolarHBondContact O-N 3.47Å; A136-T139 PolarHBondContact O-OG1 3.37Å; A136-N140 WeakPolarHBondContact O-CB 3.19Å; A136-N140 PolarHBondContact O-N 2.87Å; A136-N140 VanDerWaalsContact O-N 3.08Å; A136-F148 HydrophobicContact CB-CB 4.24Å; A136-F148 HydrophobicContact CB-CD1 3.89Å; A136-F148 HydrophobicContact CB-CD2 3.74Å; A136-F148 HydrophobicContact CB-CE1 4.13Å; A136-F148 HydrophobicContact CB-CE2 3.98Å; A136-F148 HydrophobicContact CB-CG 3.68Å; A136-F148 HydrophobicContact CB-CZ 4.17Å
137	E	97.9	Very high	97	Very high	59 Å²	59	56 Å²	56	28%	0.276	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-48.7	175.3	-80.1	-59.1	157.9	0	0	112.8	V133 E134 R135 T139 N140 H143 F148	V133-E137 PolarHBondContact O-N 3.48Å; E134-E137 PolarHBondContact O-N 3.08Å; R135-E137 VanDerWaalsContact C-N 3.34Å; E137-T139 PolarHBondContact O-N 2.91Å; E137-T139 VanDerWaalsContact O-N 3.16Å; E137-N140 WeakPolarHBondContact O-CB 3.41Å; E137-N140 PolarHBondContact O-N 3.31Å; E137-H143 PolarHBondContact O-CE1 3.1Å; E137-H143 VanDerWaalsContact O-CE1 3.29Å; E137-H143 IonicContact OE2-ND1 3.09Å; E137-F148 HydrophobicContact CG-CB 4.1Å; E137-F148 HydrophobicContact CG-CD2 4.37Å; E137-F148 WeakPolarHBondContact OE1-CA 3.43Å; E137-F148 WeakPolarHBondContact OE1-CB 2.88Å; E137-F148 PolarHBondContact OE1-N 2.99Å
138	Q	97.4	Very high	97	Very high	154 Å²	154	55.7 Å²	55.7	72%	0.72	30%	0.295	S	S	*	.	H	α-helix	trans	-61	-28	-178.4	-74.7	170.4	14.8	0	0	113.7	E134 R135	E134-Q138 WeakPolarHBondContact O-CB 3.49Å; E134-Q138 WeakPolarHBondContact O-CG 3.41Å; E134-Q138 PolarHBondContact O-N 3Å; R135-Q138 PolarHBondContact O-N 3.24Å
139	T	95.7	Very high	97.1	Very high	89 Å²	89	54.9 Å²	54.9	55%	0.546	29%	0.29	S	S	.	.	H	α-helix	trans	-104.1	-0.3	-176.5	60.7	0	0	0	0	113.6	R135 A136 E137 P141	R135-T139 WeakPolarHBondContact O-CG2 3.42Å; R135-T139 PolarHBondContact O-N 2.71Å; R135-T139 VanDerWaalsContact O-N 3.12Å; R135-T139 PolarHBondContact O-OG1 2.65Å; A136-T139 PolarHBondContact O-N 3.47Å; A136-T139 PolarHBondContact O-OG1 3.37Å; E137-T139 PolarHBondContact O-N 2.91Å; E137-T139 VanDerWaalsContact O-N 3.16Å; T139-P141 VanDerWaalsContact O-CD 3.24Å; T139-P141 WeakPolarHBondContact O-CD 3.47Å
140	N	97.4	Very high	97.2	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	30%	0.3	C	S	.	.			trans	-71.4	112.5	-177.1	-178.3	6.8	0	0	0	111.7	A136 E137 L142 H143 V146 F148	A136-N140 WeakPolarHBondContact O-CB 3.19Å; A136-N140 PolarHBondContact O-N 2.87Å; A136-N140 VanDerWaalsContact O-N 3.08Å; E137-N140 WeakPolarHBondContact O-CB 3.41Å; E137-N140 PolarHBondContact O-N 3.31Å; N140-L142 PolarHBondContact O-N 3.38Å; N140-L142 WeakPolarHBondContact OD1-CA 3.22Å; N140-L142 PolarHBondContact OD1-N 2.88Å; N140-H143 PolarHBondContact O-CD2 2.83Å; N140-H143 VanDerWaalsContact O-CD2 3.29Å; N140-H143 PolarHBondContact O-CE1 2.91Å; N140-H143 PolarHBondContact O-NE2 2.85Å; N140-V146 PolarHBondContact ND2-O 3.14Å; N140-F148 HydrophobicContact CB-CE2 3.98Å
141	P	96.3	Very high	97.2	Very high	76 Å²	76	52.5 Å²	52.5	49%	0.494	28%	0.278	S	S	.	.	S	Bend	trans	-83	0.9	177.4	32.4	-28.6	0	0	0	113.4	V106 T139	V106-P141 HydrophobicContact CG1-CG 3.93Å; T139-P141 VanDerWaalsContact O-CD 3.24Å; T139-P141 WeakPolarHBondContact O-CD 3.47Å
142	L	96	Very high	97.2	Very high	22 Å²	22	49.8 Å²	49.8	12%	0.115	26%	0.26	C	S	.	.			trans	-129	40.5	-168	-62.5	172.6	0	0	0	112.2	V106 Y109 K110 P116 N140 S144 N145 V146	V106-L142 HydrophobicContact CG1-CD1 4.26Å; Y109-L142 HydrophobicContact CD1-CD1 3.48Å; Y109-L142 VanDerWaalsContact CD1-CD1 3.48Å; Y109-L142 HydrophobicContact CE1-CD1 4.05Å; Y109-L142 HydrophobicContact CG-CD1 4.19Å; K110-L142 HydrophobicContact CG-CD1 3.96Å; P116-L142 HydrophobicContact CB-CD2 3.87Å; P116-L142 HydrophobicContact CG-CD2 4.15Å; N140-L142 PolarHBondContact O-N 3.38Å; N140-L142 WeakPolarHBondContact OD1-CA 3.22Å; N140-L142 PolarHBondContact OD1-N 2.88Å; L142-S144 PolarHBondContact O-N 3.06Å; L142-N145 PolarHBondContact O-N 3.14Å; L142-V146 HydrophobicContact CB-CB 4.2Å; L142-V146 HydrophobicContact CB-CG2 3.85Å; L142-V146 HydrophobicContact CD1-CG2 4.11Å; L142-V146 PolarHBondContact O-N 2.91Å
143	H	94.8	Very high	97	Very high	116 Å²	116	50.1 Å²	50.1	54%	0.537	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-21.9	-174.2	-60.3	-76.3	0	0	0	115.7	E137 N140	E137-H143 PolarHBondContact O-CE1 3.1Å; E137-H143 VanDerWaalsContact O-CE1 3.29Å; E137-H143 IonicContact OE2-ND1 3.09Å; N140-H143 PolarHBondContact O-CD2 2.83Å; N140-H143 VanDerWaalsContact O-CD2 3.29Å; N140-H143 PolarHBondContact O-CE1 2.91Å; N140-H143 PolarHBondContact O-NE2 2.85Å
144	S	94.1	Very high	96.5	Very high	87 Å²	87	52 Å²	52	61%	0.608	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.4	176.8	49.8	0	0	0	0	113.9	L142	L142-S144 PolarHBondContact O-N 3.06Å
145	N	96.6	Very high	96.3	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.043	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-23.7	-171.1	-63.2	85.8	0	0	0	113.1	Y109 P116 S119 V121 H122 L123 L142	Y109-N145 HydrophobicContact CE1-CB 4.25Å; Y109-N145 HydrophobicContact CE2-CB 3.74Å; Y109-N145 VanDerWaalsContact CZ-CB 3.45Å; Y109-N145 WeakPolarHBondContact OH-CB 3.44Å; Y109-N145 PolarHBondContact OH-ND2 2.96Å; Y109-N145 VanDerWaalsContact OH-ND2 3.13Å; P116-N145 PolarHBondContact O-OD1 3.02Å; S119-N145 PolarHBondContact O-ND2 2.93Å; S119-N145 VanDerWaalsContact O-ND2 3.13Å; V121-N145 PolarHBondContact O-ND2 2.88Å; H122-N145 CarbonylContact C-O 3.52Å; H122-N145 VanDerWaalsContact CA-O 3.25Å; H122-N145 WeakPolarHBondContact CA-O 3.2Å; L123-N145 PolarHBondContact N-O 3.47Å; L142-N145 PolarHBondContact O-N 3.14Å
146	V	98.2	Very high	95.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128	178.6	-175.9	0	0	0	0	108	V106 Y109 L123 N140 L142 F148	V106-V146 HydrophobicContact CG2-CG1 4.48Å; Y109-V146 HydrophobicContact CD1-CG2 4.24Å; Y109-V146 HydrophobicContact CD2-CG2 3.68Å; Y109-V146 HydrophobicContact CE2-CG2 4.25Å; Y109-V146 HydrophobicContact CG-CG2 3.67Å; L123-V146 HydrophobicContact CB-CG2 4.33Å; L123-V146 HydrophobicContact CD2-CG1 3.98Å; L123-V146 WeakPolarHBondContact O-CA 3.24Å; N140-V146 PolarHBondContact ND2-O 3.14Å; L142-V146 HydrophobicContact CB-CB 4.2Å; L142-V146 HydrophobicContact CB-CG2 3.85Å; L142-V146 HydrophobicContact CD1-CG2 4.11Å; L142-V146 PolarHBondContact O-N 2.91Å; V146-F148 HydrophobicContact CG1-CE1 4.27Å; V146-F148 HydrophobicContact CG1-CE2 3.74Å; V146-F148 HydrophobicContact CG1-CZ 3.55Å
147	S	98.4	Very high	95.6	Very high	44 Å²	44	56.6 Å²	56.6	31%	0.308	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153	177.1	-52.6	0	0	0	0	110.2	L123 L124 G125	L123-S147 PolarHBondContact O-N 3.03Å; L124-S147 WeakPolarHBondContact CA-O 3.35Å; G125-S147 PolarHBondContact N-O 3.44Å
148	F	98.8	Very high	95.4	Very high	11 Å²	11	58.5 Å²	58.5	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.1	-179.4	-57.2	-80	0	0	0	111.3	C99 V106 G125 V133 A136 E137 N140 V146	C99-F148 HydrophobicContact CB-CD1 4.17Å; C99-F148 HydrophobicContact CB-CE1 4.14Å; V106-F148 HydrophobicContact CG2-CZ 4.21Å; G125-F148 CarbonylContact O-C 3.59Å; G125-F148 VanDerWaalsContact O-CA 3.25Å; G125-F148 WeakPolarHBondContact O-CA 3.27Å; V133-F148 HydrophobicContact CG1-CB 4.06Å; A136-F148 HydrophobicContact CB-CB 4.24Å; A136-F148 HydrophobicContact CB-CD1 3.89Å; A136-F148 HydrophobicContact CB-CD2 3.74Å; A136-F148 HydrophobicContact CB-CE1 4.13Å; A136-F148 HydrophobicContact CB-CE2 3.98Å; A136-F148 HydrophobicContact CB-CG 3.68Å; A136-F148 HydrophobicContact CB-CZ 4.17Å; E137-F148 HydrophobicContact CG-CB 4.1Å; E137-F148 HydrophobicContact CG-CD2 4.37Å; E137-F148 WeakPolarHBondContact OE1-CA 3.43Å; E137-F148 WeakPolarHBondContact OE1-CB 2.88Å; E137-F148 PolarHBondContact OE1-N 2.99Å; N140-F148 HydrophobicContact CB-CE2 3.98Å; V146-F148 HydrophobicContact CG1-CE1 4.27Å; V146-F148 HydrophobicContact CG1-CE2 3.74Å; V146-F148 HydrophobicContact CG1-CZ 3.55Å
149	I	98.4	Very high	95.4	Very high	43 Å²	43	55 Å²	55	22%	0.221	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.1	176.2	62.9	172.5	0	0	0	111.2	L124 G125 F126 D127 V133 L151 Q159 L160	L124-I149 HydrophobicContact CD1-CD1 4.25Å; L124-I149 HydrophobicContact CD1-CG1 4.07Å; L124-I149 HydrophobicContact CD1-CG2 4.04Å; L124-I149 HydrophobicContact CD2-CD1 4.06Å; L124-I149 HydrophobicContact CG-CD1 4.49Å; G125-I149 PolarHBondContact O-N 3.37Å; F126-I149 WeakPolarHBondContact CA-O 3.5Å; F126-I149 HydrophobicContact CB-CD1 4.39Å; F126-I149 HydrophobicContact CB-CG1 3.63Å; F126-I149 VanDerWaalsContact CB-O 3.29Å; F126-I149 WeakPolarHBondContact CB-O 3.46Å; D127-I149 PolarHBondContact N-O 2.74Å; V133-I149 WeakPolarHBondContact CG2-O 3.28Å; I149-L151 HydrophobicContact CD1-CB 4.34Å; I149-L151 HydrophobicContact CD1-CD1 4.03Å; I149-L151 HydrophobicContact CG1-CB 4.4Å; I149-Q159 HydrophobicContact CD1-CB 3.72Å; I149-L160 HydrophobicContact CD1-CD2 4.37Å
150	Q	97.9	Very high	95.5	Very high	86 Å²	86	50.9 Å²	50.9	40%	0.402	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.8	165.3	-171.5	-169.5	6.6	0	0	109.2	D127 L128 E130 V133 Q159	D127-Q150 CarbonylContact O-C 3.6Å; D127-Q150 WeakPolarHBondContact O-CA 3.34Å; L128-Q150 PolarHBondContact O-NE2 2.94Å; E130-Q150 HydrophobicContact CB-CG 4.33Å; V133-Q150 HydrophobicContact CG2-CB 4.47Å; Q150-Q159 PolarHBondContact O-NE2 2.95Å
151	L	97.3	Very high	95.5	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.031	29%	0.291	C	S	.	.			trans	-158	133.4	-179.9	-176.9	142.4	0	0	0	111.7	F126 D127 I149 I153 T157 Q159 L160	F126-L151 HydrophobicContact CB-CB 3.93Å; F126-L151 HydrophobicContact CD1-CD2 4.31Å; F126-L151 HydrophobicContact CD2-CB 3.93Å; F126-L151 HydrophobicContact CD2-CD2 3.57Å; F126-L151 HydrophobicContact CD2-CG 4.37Å; F126-L151 HydrophobicContact CE1-CD2 4.29Å; F126-L151 HydrophobicContact CE2-CD2 3.59Å; F126-L151 HydrophobicContact CG-CB 4.03Å; F126-L151 HydrophobicContact CG-CD2 3.96Å; F126-L151 HydrophobicContact CZ-CD2 3.94Å; D127-L151 CarbonylContact C-O 3.49Å; D127-L151 PolarHBondContact O-N 2.8Å; I149-L151 HydrophobicContact CD1-CB 4.34Å; I149-L151 HydrophobicContact CD1-CD1 4.03Å; I149-L151 HydrophobicContact CG1-CB 4.4Å; L151-I153 HydrophobicContact CD2-CB 4.13Å; L151-I153 HydrophobicContact CD2-CD1 4.1Å; L151-T157 HydrophobicContact CD1-CG2 4.36Å; L151-T157 HydrophobicContact CD2-CG2 4.05Å; L151-T157 HydrophobicContact CG-CG2 4.49Å; L151-Q159 HydrophobicContact CD1-CB 4.23Å; L151-L160 HydrophobicContact CD1-CD2 4.02Å; L151-L160 HydrophobicContact CD1-CG 3.91Å
152	D	95.6	Very high	95.5	Very high	40 Å²	40	56.6 Å²	56.6	21%	0.214	29%	0.293	C	S	.	.			trans	-92	113	163.1	-167.4	-28	0	0	0	109.8	L128 T154 E155	L128-D152 HydrophobicContact CD1-CB 3.56Å; D152-T154 VanDerWaalsContact CG-OG1 3.28Å; D152-T154 PolarHBondContact O-N 2.86Å; D152-T154 VanDerWaalsContact O-N 3.17Å; D152-T154 WeakPolarHBondContact OD1-CA 3.43Å; D152-T154 VanDerWaalsContact OD1-CB 3.32Å; D152-T154 WeakPolarHBondContact OD1-CB 3.36Å; D152-T154 PolarHBondContact OD1-N 3.31Å; D152-T154 PolarHBondContact OD1-OG1 3.36Å; D152-T154 PolarHBondContact OD2-OG1 2.88Å; D152-E155 HydrophobicContact CB-CB 4.34Å; D152-E155 HydrophobicContact CB-CG 4.06Å; D152-E155 PolarHBondContact O-N 3.29Å; D152-E155 VanDerWaalsContact O-N 3.16Å
153	I	93.8	Very high	95.6	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.056	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	-179.2	-163.5	59.5	0	0	0	113.2	F126 L151 T157 L160 L196 R199	F126-I153 HydrophobicContact CE1-CD1 4.21Å; F126-I153 HydrophobicContact CE2-CB 3.83Å; F126-I153 HydrophobicContact CE2-CD1 4.35Å; F126-I153 HydrophobicContact CE2-CG1 4.35Å; F126-I153 HydrophobicContact CZ-CB 3.87Å; F126-I153 HydrophobicContact CZ-CD1 3.6Å; F126-I153 HydrophobicContact CZ-CG1 3.86Å; L151-I153 HydrophobicContact CD2-CB 4.13Å; L151-I153 HydrophobicContact CD2-CD1 4.1Å; I153-T157 HydrophobicContact CD1-CG2 4.14Å; I153-L160 HydrophobicContact CD1-CD1 4.1Å; I153-L196 HydrophobicContact CB-CD1 4.48Å; I153-L196 HydrophobicContact CG1-CD1 3.82Å; I153-L196 HydrophobicContact CG2-CD1 3.79Å; I153-R199 PolarHBondContact O-NE 3.04Å
154	T	89.2	Confident	95.8	Very high	49 Å²	49	50.9 Å²	50.9	30%	0.301	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.7	177.3	74.1	0	0	0	0	113.1	D152	D152-T154 VanDerWaalsContact CG-OG1 3.28Å; D152-T154 PolarHBondContact O-N 2.86Å; D152-T154 VanDerWaalsContact O-N 3.17Å; D152-T154 WeakPolarHBondContact OD1-CA 3.43Å; D152-T154 VanDerWaalsContact OD1-CB 3.32Å; D152-T154 WeakPolarHBondContact OD1-CB 3.36Å; D152-T154 PolarHBondContact OD1-N 3.31Å; D152-T154 PolarHBondContact OD1-OG1 3.36Å; D152-T154 PolarHBondContact OD2-OG1 2.88Å
155	E	92.6	Very high	95.9	Very high	131 Å²	131	49 Å²	49	61%	0.612	26%	0.26	S	S	*	.	S	Bend	trans	-100.3	-159.7	175.8	-60.4	-160.6	166.1	0	0	112.1	D152 T157 R199	D152-E155 HydrophobicContact CB-CB 4.34Å; D152-E155 HydrophobicContact CB-CG 4.06Å; D152-E155 PolarHBondContact O-N 3.29Å; D152-E155 VanDerWaalsContact O-N 3.16Å; E155-T157 WeakPolarHBondContact O-CG2 3.33Å; E155-R199 PolarHBondContact O-NH2 2.9Å
156	E	88.9	Confident	95.9	Very high	142 Å²	142	55.7 Å²	55.7	66%	0.664	29%	0.291	S	S	*	.			trans	-71.3	132.7	172.7	-70.5	-59.8	140.7	0	0	110.5
157	T	92.6	Very high	95.8	Very high	11 Å²	11	57.5 Å²	57.5	7%	0.067	30%	0.3	C	S	.	.			trans	-120.7	44.1	-169.6	64.7	0	0	0	0	111.9	L151 I153 E155 Q159 L160 R199	L151-T157 HydrophobicContact CD1-CG2 4.36Å; L151-T157 HydrophobicContact CD2-CG2 4.05Å; L151-T157 HydrophobicContact CG-CG2 4.49Å; I153-T157 HydrophobicContact CD1-CG2 4.14Å; E155-T157 WeakPolarHBondContact O-CG2 3.33Å; T157-Q159 PolarHBondContact O-N 2.87Å; T157-L160 WeakPolarHBondContact O-CB 3.12Å; T157-L160 PolarHBondContact O-N 3.13Å; T157-L160 VanDerWaalsContact O-N 3.13Å; T157-R199 PolarHBondContact OG1-NH1 2.95Å
158	N	94.6	Very high	95.7	Very high	100 Å²	100	60.8 Å²	60.8	54%	0.535	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-32.9	-177.6	-68.2	-33.3	0	0	0	111.9	L160 Q161 D162	N158-L160 PolarHBondContact O-N 2.53Å; N158-L160 VanDerWaalsContact O-N 3.15Å; N158-Q161 WeakPolarHBondContact O-CA 3.46Å; N158-Q161 WeakPolarHBondContact O-CB 3.31Å; N158-Q161 PolarHBondContact O-N 2.79Å; N158-D162 PolarHBondContact O-N 3.02Å
159	Q	96.8	Very high	95.6	Very high	81 Å²	81	61.4 Å²	61.4	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-58.8	-30.1	177.7	-56.5	104.3	-57.4	0	0	113.1	I149 Q150 L151 T157 D162 F163	I149-Q159 HydrophobicContact CD1-CB 3.72Å; Q150-Q159 PolarHBondContact O-NE2 2.95Å; L151-Q159 HydrophobicContact CD1-CB 4.23Å; T157-Q159 PolarHBondContact O-N 2.87Å; Q159-D162 PolarHBondContact O-N 3.4Å; Q159-F163 PolarHBondContact O-N 3.41Å
160	L	97.6	Very high	95.5	Very high	2 Å²	2	64 Å²	64	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-68.7	-38.2	175.9	-59.2	-174.8	0	0	0	111.3	L95 L124 F126 I149 L151 I153 T157 N158 L164 F172 I203	L95-L160 HydrophobicContact CD1-CD2 3.81Å; L95-L160 HydrophobicContact CD2-CD1 4.35Å; L124-L160 HydrophobicContact CD2-CD2 3.77Å; F126-L160 HydrophobicContact CD1-CD2 4.22Å; F126-L160 HydrophobicContact CE1-CD2 4.47Å; I149-L160 HydrophobicContact CD1-CD2 4.37Å; L151-L160 HydrophobicContact CD1-CD2 4.02Å; L151-L160 HydrophobicContact CD1-CG 3.91Å; I153-L160 HydrophobicContact CD1-CD1 4.1Å; T157-L160 WeakPolarHBondContact O-CB 3.12Å; T157-L160 PolarHBondContact O-N 3.13Å; T157-L160 VanDerWaalsContact O-N 3.13Å; N158-L160 PolarHBondContact O-N 2.53Å; N158-L160 VanDerWaalsContact O-N 3.15Å; L160-L164 VanDerWaalsContact O-CG 3.27Å; L160-L164 WeakPolarHBondContact O-CG 3.44Å; L160-L164 PolarHBondContact O-N 3.35Å; L160-L164 VanDerWaalsContact O-N 3.08Å; L160-F172 HydrophobicContact CB-CE2 4.31Å; L160-I203 HydrophobicContact CD1-CD1 3.98Å
161	Q	96.7	Very high	95.5	Very high	98 Å²	98	62.2 Å²	62.2	46%	0.458	34%	0.342	S	S	.	.	H	α-helix	trans	-71.1	-37.1	176.2	-62.6	-60.8	-17.9	0	0	111.5	N158 F163 L164 G165	N158-Q161 WeakPolarHBondContact O-CA 3.46Å; N158-Q161 WeakPolarHBondContact O-CB 3.31Å; N158-Q161 PolarHBondContact O-N 2.79Å; Q161-F163 VanDerWaalsContact C-N 3.35Å; Q161-L164 PolarHBondContact O-N 3.25Å; Q161-G165 PolarHBondContact O-N 2.95Å
162	D	97.4	Very high	95.5	Very high	100 Å²	100	61.9 Å²	61.9	54%	0.535	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-45.1	174.6	-64.7	-27.3	0	0	0	111	N158 Q159 G165 Q166	N158-D162 PolarHBondContact O-N 3.02Å; Q159-D162 PolarHBondContact O-N 3.4Å; D162-G165 PolarHBondContact O-N 2.93Å; D162-Q166 VanDerWaalsContact O-CG 3.29Å; D162-Q166 WeakPolarHBondContact O-CG 3.45Å; D162-Q166 PolarHBondContact O-N 3.35Å
163	F	98.1	Very high	95.7	Very high	15 Å²	15	61.4 Å²	61.4	7%	0.066	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-46.1	175.3	-175.6	-92.4	0	0	0	112.1	L93 H122 L124 Q159 Q161 G165 Q166 H167 F172	L93-F163 HydrophobicContact CD1-CE1 4.33Å; L93-F163 HydrophobicContact CD2-CE1 4.15Å; H122-F163 HydrophobicContact CB-CZ 4.12Å; L124-F163 HydrophobicContact CB-CD1 4.15Å; L124-F163 HydrophobicContact CB-CD2 4.21Å; L124-F163 HydrophobicContact CB-CE1 3.9Å; L124-F163 HydrophobicContact CB-CE2 3.96Å; L124-F163 HydrophobicContact CB-CG 4.29Å; L124-F163 HydrophobicContact CB-CZ 3.81Å; L124-F163 HydrophobicContact CD1-CD2 4.05Å; L124-F163 HydrophobicContact CD1-CE2 4.22Å; L124-F163 HydrophobicContact CD2-CB 3.85Å; L124-F163 HydrophobicContact CD2-CD1 4.03Å; L124-F163 HydrophobicContact CD2-CD2 4.01Å; L124-F163 HydrophobicContact CD2-CG 3.69Å; L124-F163 HydrophobicContact CG-CD2 4.32Å; L124-F163 HydrophobicContact CG-CE2 4.49Å; L124-F163 HydrophobicContact CG-CG 4.41Å; Q159-F163 PolarHBondContact O-N 3.41Å; Q161-F163 VanDerWaalsContact C-N 3.35Å; F163-G165 VanDerWaalsContact C-N 3.3Å; F163-G165 PolarHBondContact O-N 2.77Å; F163-Q166 PolarHBondContact O-N 3.23Å; F163-H167 AromaticContact CE1-CD2 3.78Å; F163-H167 AromaticContact CE2-NE2 3.68Å; F163-H167 AromaticContact CZ-CD2 3.72Å; F163-H167 AromaticContact CZ-NE2 3.55Å; F163-H167 PolarHBondContact O-CD2 2.56Å; F163-H167 VanDerWaalsContact O-CD2 3.31Å; F163-H167 PolarHBondContact O-N 3.05Å; F163-F172 AromaticContact CD1-CE1 3.68Å; F163-F172 HydrophobicContact CD1-CE1 3.68Å; F163-F172 AromaticContact CD1-CZ 3.91Å; F163-F172 HydrophobicContact CD1-CZ 3.91Å; F163-F172 AromaticContact CE1-CE1 3.85Å; F163-F172 HydrophobicContact CE1-CE1 3.85Å
164	L	98	Very high	95.9	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-44.1	175.2	-72.5	173.5	0	0	0	111.7	L93 L160 Q161 H167 S168 C169 H171 F172	L93-L164 HydrophobicContact CD1-CD2 3.69Å; L160-L164 VanDerWaalsContact O-CG 3.27Å; L160-L164 WeakPolarHBondContact O-CG 3.44Å; L160-L164 PolarHBondContact O-N 3.35Å; L160-L164 VanDerWaalsContact O-N 3.08Å; Q161-L164 PolarHBondContact O-N 3.25Å; L164-H167 CarbonylContact O-C 3.52Å; L164-H167 PolarHBondContact O-N 3.18Å; L164-S168 PolarHBondContact O-N 3.49Å; L164-S168 VanDerWaalsContact O-N 3.14Å; L164-C169 CarbonylContact C-O 3.57Å; L164-C169 WeakPolarHBondContact CB-O 3.42Å; L164-C169 HydrophobicContact CD2-CB 4.12Å; L164-C169 PolarHBondContact O-N 3.4Å; L164-H171 WeakPolarHBondContact CD2-O 3.34Å; L164-F172 HydrophobicContact CD1-CD2 4.24Å; L164-F172 HydrophobicContact CD1-CE2 3.96Å; L164-F172 HydrophobicContact CD2-CD1 4.25Å; L164-F172 HydrophobicContact CD2-CD2 3.92Å; L164-F172 HydrophobicContact CD2-CE1 4.23Å; L164-F172 HydrophobicContact CD2-CE2 3.89Å; L164-F172 HydrophobicContact CD2-CG 4.1Å; L164-F172 HydrophobicContact CD2-CZ 4.04Å; L164-F172 HydrophobicContact CG-CD2 4.3Å; L164-F172 HydrophobicContact CG-CE2 3.85Å; L164-F172 HydrophobicContact CG-CZ 4.08Å
165	G	97.3	Very high	96.4	Very high	49 Å²	49	58.6 Å²	58.6	51%	0.505	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-38.8	177.9	0	0	0	0	0	113.6	Q161 D162 F163 H167 S168	Q161-G165 PolarHBondContact O-N 2.95Å; D162-G165 PolarHBondContact O-N 2.93Å; F163-G165 VanDerWaalsContact C-N 3.3Å; F163-G165 PolarHBondContact O-N 2.77Å; G165-H167 PolarHBondContact O-N 2.9Å; G165-S168 PolarHBondContact O-N 2.81Å; G165-S168 VanDerWaalsContact O-N 3.1Å
166	Q	96.8	Very high	96.7	Very high	147 Å²	147	52.4 Å²	52.4	69%	0.687	29%	0.291	S	S	*	.	H	α-helix	trans	-59.5	-32	175	-73.3	168.1	7.1	0	0	112.4	D162 F163	D162-Q166 VanDerWaalsContact O-CG 3.29Å; D162-Q166 WeakPolarHBondContact O-CG 3.45Å; D162-Q166 PolarHBondContact O-N 3.35Å; F163-Q166 PolarHBondContact O-N 3.23Å
167	H	96.2	Very high	97.1	Very high	38 Å²	38	45.6 Å²	45.6	18%	0.176	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	12.8	178.7	-68.3	-76.4	0	0	0	113.5	P91 L93 H122 F163 L164 G165 C169	P91-H167 HydrophobicContact CG-CB 4.16Å; P91-H167 WeakPolarHBondContact CG-O 3.31Å; L93-H167 HydrophobicContact CD1-CB 3.82Å; L93-H167 HydrophobicContact CD2-CB 3.85Å; L93-H167 HydrophobicContact CG-CB 4.39Å; H122-H167 AromaticContact CD2-CE1 3.4Å; H122-H167 PolarHBondContact CD2-CE1 3.5Å; H122-H167 AromaticContact CD2-ND1 3.54Å; H122-H167 AromaticContact CE1-CE1 3.65Å; H122-H167 AromaticContact CG-CE1 3.39Å; H122-H167 AromaticContact CG-ND1 3.96Å; H122-H167 AromaticContact CG-NE2 3.97Å; H122-H167 AromaticContact ND1-CE1 3.54Å; H122-H167 AromaticContact NE2-CE1 3.55Å; H122-H167 AromaticContact NE2-ND1 3.75Å; F163-H167 AromaticContact CE1-CD2 3.78Å; F163-H167 AromaticContact CE2-NE2 3.68Å; F163-H167 AromaticContact CZ-CD2 3.72Å; F163-H167 AromaticContact CZ-NE2 3.55Å; F163-H167 PolarHBondContact O-CD2 2.56Å; F163-H167 VanDerWaalsContact O-CD2 3.31Å; F163-H167 PolarHBondContact O-N 3.05Å; L164-H167 CarbonylContact O-C 3.52Å; L164-H167 PolarHBondContact O-N 3.18Å; G165-H167 PolarHBondContact O-N 2.9Å; H167-C169 PolarHBondContact O-N 3.12Å; H167-C169 PolarHBondContact O-SG 3.16Å; H167-C169 VanDerWaalsContact O-SG 3.38Å
168	S	96	Very high	97.4	Very high	114 Å²	114	45.6 Å²	45.6	80%	0.797	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.1	-178.3	-57.1	0	0	0	0	114.2	L164 G165	L164-S168 PolarHBondContact O-N 3.49Å; L164-S168 VanDerWaalsContact O-N 3.14Å; G165-S168 PolarHBondContact O-N 2.81Å; G165-S168 VanDerWaalsContact O-N 3.1Å
169	C	96.4	Very high	97.5	Very high	24 Å²	24	41.1 Å²	41.1	16%	0.162	24%	0.235	C	C	.	.			trans	-103.5	154.7	179.2	-73.4	0	0	0	0	110.9	L93 L164 H167	L93-C169 HydrophobicContact CD1-CB 3.42Å; L93-C169 VanDerWaalsContact CD1-CB 3.42Å; L93-C169 VanDerWaalsContact CD1-SG 3.57Å; L93-C169 HydrophobicContact CG-CB 4.4Å; L164-C169 CarbonylContact C-O 3.57Å; L164-C169 WeakPolarHBondContact CB-O 3.42Å; L164-C169 HydrophobicContact CD2-CB 4.12Å; L164-C169 PolarHBondContact O-N 3.4Å; H167-C169 PolarHBondContact O-N 3.12Å; H167-C169 PolarHBondContact O-SG 3.16Å; H167-C169 VanDerWaalsContact O-SG 3.38Å
170	S	95.9	Very high	97.5	Very high	98 Å²	98	38.1 Å²	38.1	69%	0.685	22%	0.223	S	C	*	.	S	Bend	trans	-102.2	-11.9	175.8	58.3	0	0	0	0	113.7
171	H	97.3	Very high	97.5	Very high	47 Å²	47	38 Å²	38	22%	0.218	22%	0.222	C	C	.	.	S	Bend	trans	-161.1	161.3	-176.4	63.3	-71.5	0	0	0	110.2	L164 S205	L164-H171 WeakPolarHBondContact CD2-O 3.34Å; H171-S205 PolarHBondContact CD2-OG 3.33Å; H171-S205 PolarHBondContact NE2-OG 3.08Å
172	F	98.6	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141	171.2	-68.6	-85.5	0	0	0	110.5	L93 L95 L124 L160 F163 L164 I203 S204 S205	L93-F172 HydrophobicContact CB-CD1 3.88Å; L93-F172 HydrophobicContact CB-CE1 4.47Å; L95-F172 HydrophobicContact CB-CB 4.36Å; L95-F172 HydrophobicContact CB-CD1 3.65Å; L95-F172 HydrophobicContact CB-CD2 4.16Å; L95-F172 HydrophobicContact CB-CE1 3.9Å; L95-F172 HydrophobicContact CB-CE2 4.39Å; L95-F172 HydrophobicContact CB-CG 3.78Å; L95-F172 HydrophobicContact CB-CZ 4.27Å; L95-F172 HydrophobicContact CD1-CE1 4.07Å; L95-F172 HydrophobicContact CD1-CE2 4.27Å; L95-F172 HydrophobicContact CD1-CZ 3.87Å; L95-F172 HydrophobicContact CD2-CD2 4.04Å; L95-F172 HydrophobicContact CD2-CE2 4Å; L95-F172 HydrophobicContact CD2-CZ 4.42Å; L95-F172 HydrophobicContact CG-CE1 4.49Å; L95-F172 HydrophobicContact CG-CE2 4.47Å; L95-F172 HydrophobicContact CG-CZ 4.43Å; L124-F172 HydrophobicContact CB-CE1 4.43Å; L124-F172 HydrophobicContact CD2-CZ 4.23Å; L160-F172 HydrophobicContact CB-CE2 4.31Å; F163-F172 AromaticContact CD1-CE1 3.68Å; F163-F172 HydrophobicContact CD1-CE1 3.68Å; F163-F172 AromaticContact CD1-CZ 3.91Å; F163-F172 HydrophobicContact CD1-CZ 3.91Å; F163-F172 AromaticContact CE1-CE1 3.85Å; F163-F172 HydrophobicContact CE1-CE1 3.85Å; L164-F172 HydrophobicContact CD1-CD2 4.24Å; L164-F172 HydrophobicContact CD1-CE2 3.96Å; L164-F172 HydrophobicContact CD2-CD1 4.25Å; L164-F172 HydrophobicContact CD2-CD2 3.92Å; L164-F172 HydrophobicContact CD2-CE1 4.23Å; L164-F172 HydrophobicContact CD2-CE2 3.89Å; L164-F172 HydrophobicContact CD2-CG 4.1Å; L164-F172 HydrophobicContact CD2-CZ 4.04Å; L164-F172 HydrophobicContact CG-CD2 4.3Å; L164-F172 HydrophobicContact CG-CE2 3.85Å; L164-F172 HydrophobicContact CG-CZ 4.08Å; F172-I203 HydrophobicContact CD2-CD1 4.43Å; F172-I203 HydrophobicContact CD2-CG1 4.43Å; F172-I203 PolarHBondContact N-O 3.3Å; F172-S204 CarbonylContact O-C 3.58Å; F172-S204 WeakPolarHBondContact O-CA 3.17Å; F172-S205 PolarHBondContact O-N 3.41Å
173	H	98.6	Very high	97.4	Very high	30 Å²	30	30.2 Å²	30.2	14%	0.139	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-37.7	178.5	-66.3	93.7	0	0	0	111.1	Y84 P91 T92 L93 H206	Y84-H173 HydrophobicContact CD1-CB 4.37Å; Y84-H173 AromaticContact CD1-CD2 3.86Å; Y84-H173 HydrophobicContact CD2-CB 4.31Å; Y84-H173 HydrophobicContact CE1-CB 3.98Å; Y84-H173 AromaticContact CE1-CD2 3.34Å; Y84-H173 WeakPolarHBondContact CE1-CD2 3.44Å; Y84-H173 AromaticContact CE1-CG 3.99Å; Y84-H173 HydrophobicContact CE2-CB 3.86Å; Y84-H173 AromaticContact CZ-CD2 3.83Å; Y84-H173 PolarHBondContact OH-O 2.87Å; P91-H173 PolarHBondContact O-CE1 3.29Å; T92-H173 HydrophobicContact CG2-CB 3.95Å; L93-H173 PolarHBondContact N-ND1 3.2Å; L93-H173 WeakPolarHBondContact O-CA 3.36Å; L93-H173 WeakPolarHBondContact O-CB 3.5Å; L93-H173 PolarHBondContact O-N 2.94Å; H173-H206 WeakPolarHBondContact O-CB 3.3Å; H173-H206 PolarHBondContact O-N 2.91Å; H173-H206 VanDerWaalsContact O-N 3.14Å; H173-H206 PolarHBondContact O-ND1 2.85Å
174	L	98.8	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	120.8	175.7	177	61.3	0	0	0	111.1	L78 L79 L82 L93 I94 L95 L112 L176 H206 L208 L275	L78-L174 HydrophobicContact CD2-CD2 3.99Å; L79-L174 HydrophobicContact CD2-CD2 4.22Å; L82-L174 HydrophobicContact CD1-CD1 4.47Å; L93-L174 PolarHBondContact O-N 3.23Å; L93-L174 VanDerWaalsContact O-N 3.16Å; I94-L174 CarbonylContact C-O 3.58Å; I94-L174 VanDerWaalsContact CA-O 3.22Å; I94-L174 WeakPolarHBondContact CA-O 3.12Å; I94-L174 HydrophobicContact CG1-CB 4.43Å; L95-L174 PolarHBondContact N-O 3.08Å; L112-L174 HydrophobicContact CD1-CD2 4.46Å; L174-L176 HydrophobicContact CD1-CD2 4.35Å; L174-L176 HydrophobicContact CD2-CD2 3.9Å; L174-L176 HydrophobicContact CG-CD2 3.9Å; L174-H206 CarbonylContact C-O 3.5Å; L174-H206 HydrophobicContact CD1-CB 3.88Å; L174-L208 HydrophobicContact CD1-CB 4.25Å; L174-L275 HydrophobicContact CD1-CD1 4.33Å
175	C	98.9	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.7	165.8	-85.3	0	0	0	0	110.6	L95 S204 H206 L207 L208	L95-C175 VanDerWaalsContact CD2-SG 3.59Å; L95-C175 CarbonylContact O-C 3.47Å; L95-C175 WeakPolarHBondContact O-CA 3.43Å; C175-S204 WeakPolarHBondContact SG-CB 3.25Å; C175-H206 PolarHBondContact N-O 2.72Å; C175-L207 HydrophobicContact CB-CD1 3.84Å; C175-L207 CarbonylContact O-C 3.49Å; C175-L207 WeakPolarHBondContact O-CA 3.36Å; C175-L208 PolarHBondContact O-N 2.91Å
176	L	98.9	Very high	97	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.2	173.4	-48.6	173.6	0	0	0	107.6	I94 L95 D96 V97 I108 L123 L174 L178 L208	I94-L176 HydrophobicContact CG2-CD1 3.75Å; I94-L176 HydrophobicContact CG2-CG 3.92Å; L95-L176 PolarHBondContact O-N 3.29Å; D96-L176 HydrophobicContact CB-CB 4.5Å; D96-L176 HydrophobicContact CB-CD1 4.17Å; V97-L176 WeakPolarHBondContact CB-O 3.11Å; V97-L176 WeakPolarHBondContact CG2-O 3.4Å; V97-L176 PolarHBondContact N-O 3.41Å; I108-L176 HydrophobicContact CD1-CD1 3.79Å; I108-L176 HydrophobicContact CG2-CD1 3.96Å; L123-L176 HydrophobicContact CD1-CD1 4.49Å; L174-L176 HydrophobicContact CD1-CD2 4.35Å; L174-L176 HydrophobicContact CD2-CD2 3.9Å; L174-L176 HydrophobicContact CG-CD2 3.9Å; L176-L178 HydrophobicContact CB-CD1 4.3Å; L176-L178 HydrophobicContact CB-CG 4.2Å; L176-L208 HydrophobicContact CD2-CB 4.05Å; L176-L208 HydrophobicContact CD2-CD2 4.01Å
177	C	98.8	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	78.5	173.4	-171.7	0	0	0	0	108.4	L200 L207 L208 L209 E210	C177-L200 HydrophobicContact CB-CD1 3.7Å; C177-L207 HydrophobicContact CB-CD1 3.91Å; C177-L208 PolarHBondContact N-O 3.42Å; C177-L209 HydrophobicContact CB-CD1 3.88Å; C177-E210 PolarHBondContact O-N 3.3Å
178	L	98.1	Very high	96.6	Very high	11 Å²	11	23.6 Å²	23.6	6%	0.058	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	103.8	-167.4	-57.3	-179.8	0	0	0	111	L104 I108 L176 V180 L208 E210 L273	L104-L178 HydrophobicContact CD2-CB 4.31Å; L104-L178 HydrophobicContact CD2-CD1 3.79Å; L104-L178 HydrophobicContact CG-CD1 4.48Å; I108-L178 HydrophobicContact CD1-CD1 3.56Å; L176-L178 HydrophobicContact CB-CD1 4.3Å; L176-L178 HydrophobicContact CB-CG 4.2Å; L178-V180 VanDerWaalsContact C-N 3.35Å; L178-V180 PolarHBondContact O-N 3.27Å; L178-L208 HydrophobicContact CD2-CD2 4.35Å; L178-L208 HydrophobicContact CD2-CG 4.16Å; L178-E210 HydrophobicContact CB-CB 4.4Å; L178-E210 HydrophobicContact CD2-CB 3.88Å; L178-L273 HydrophobicContact CD2-CD2 3.83Å
179	A	96.3	Very high	96.5	Very high	6 Å²	6	18.6 Å²	18.6	5%	0.05	11%	0.105	C	C	.	.	S	Bend	trans	59.9	38.7	-179.5	0	0	0	0	0	114.6	Y61 E210 Q212	Y61-A179 VanDerWaalsContact OH-CB 3.28Å; Y61-A179 WeakPolarHBondContact OH-CB 3.4Å; A179-E210 WeakPolarHBondContact CA-O 3.49Å; A179-E210 PolarHBondContact N-O 3.22Å; A179-Q212 VanDerWaalsContact CA-CD 3.45Å; A179-Q212 HydrophobicContact CB-CG 4.1Å; A179-Q212 PolarHBondContact O-NE2 2.95Å
180	V	96.9	Very high	96.5	Very high	18 Å²	18	18.9 Å²	18.9	11%	0.109	11%	0.105	C	C	.	.			trans	-106.7	-34.9	173.4	174.4	0	0	0	0	113	V97 L178 M182 W183 V184	V97-V180 HydrophobicContact CG1-CB 4.47Å; V97-V180 HydrophobicContact CG1-CG1 4.11Å; V97-V180 HydrophobicContact CG1-CG2 4.42Å; V97-V180 WeakPolarHBondContact O-CG2 3.33Å; L178-V180 VanDerWaalsContact C-N 3.35Å; L178-V180 PolarHBondContact O-N 3.27Å; V180-M182 VanDerWaalsContact C-N 3.27Å; V180-M182 PolarHBondContact O-N 2.97Å; V180-W183 PolarHBondContact O-N 3.36Å; V180-V184 HydrophobicContact CG1-CG2 3.86Å; V180-V184 PolarHBondContact O-N 2.89Å
181	T	97.3	Very high	96.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-47.6	-43.7	-172.4	56	0	0	0	0	114.4	W183 V184 H185 L193 L209 A211 Q212	T181-W183 VanDerWaalsContact C-N 3.34Å; T181-W183 PolarHBondContact O-N 3.34Å; T181-V184 PolarHBondContact O-N 3.23Å; T181-H185 WeakPolarHBondContact O-CB 3.35Å; T181-H185 PolarHBondContact O-N 3.39Å; T181-L193 HydrophobicContact CG2-CD1 4.09Å; T181-L209 HydrophobicContact CG2-CD1 3.69Å; T181-A211 WeakPolarHBondContact OG1-CA 3.46Å; T181-Q212 PolarHBondContact OG1-OE1 3.05Å
182	M	96.2	Very high	96.5	Very high	6 Å²	6	15.7 Å²	15.7	3%	0.03	9%	0.089	C	C	.	.	H	α-helix	trans	-60.7	-40.2	178.6	177.9	-174	80.2	0	0	113.5	V180 H185 L186 Q212 C216 Y217 A220	V180-M182 VanDerWaalsContact C-N 3.27Å; V180-M182 PolarHBondContact O-N 2.97Å; M182-H185 PolarHBondContact O-N 2.93Å; M182-L186 HydrophobicContact CG-CD1 3.8Å; M182-L186 HydrophobicContact CG-CG 4.25Å; M182-L186 WeakPolarHBondContact O-CB 3.4Å; M182-L186 VanDerWaalsContact O-CG 3.27Å; M182-L186 WeakPolarHBondContact O-CG 3.39Å; M182-L186 PolarHBondContact O-N 3.49Å; M182-L186 HydrophobicContact SD-CD1 4.44Å; M182-Q212 HydrophobicContact CB-CB 4.05Å; M182-Q212 HydrophobicContact CB-CG 4.31Å; M182-Q212 VanDerWaalsContact N-OE1 3.09Å; M182-Q212 HydrophobicContact SD-CB 4.25Å; M182-C216 HydrophobicContact CE-CB 4.45Å; M182-C216 HydrophobicContact SD-CB 3.49Å; M182-C216 WeakPolarHBondContact SD-CB 3.47Å; M182-Y217 WeakPolarHBondContact CA-OH 3.42Å; M182-Y217 HydrophobicContact CB-CD2 4.2Å; M182-Y217 HydrophobicContact CB-CE1 4.27Å; M182-Y217 HydrophobicContact CB-CE2 3.64Å; M182-Y217 HydrophobicContact CG-CD1 3.87Å; M182-Y217 HydrophobicContact CG-CD2 3.56Å; M182-Y217 HydrophobicContact CG-CE1 3.81Å; M182-Y217 HydrophobicContact CG-CE2 3.5Å; M182-Y217 HydrophobicContact CG-CG 3.74Å; M182-Y217 HydrophobicContact SD-CD2 3.85Å; M182-Y217 HydrophobicContact SD-CE2 4.25Å; M182-Y217 HydrophobicContact SD-CG 4.15Å; M182-Y217 PolarHBondContact SD-N 2.87Å; M182-Y217 VanDerWaalsContact SD-N 3.42Å; M182-A220 HydrophobicContact CE-CB 4.12Å
183	W	95.6	Very high	96.5	Very high	27 Å²	27	15.7 Å²	15.7	10%	0.102	9%	0.089	C	C	.	.	H	α-helix	trans	-70	-44.6	-177.1	-64.5	118.6	0	0	0	110.9	P54 Y55 G56 F58 V180 T181 H185 L186 N187 A220	P54-W183 VanDerWaalsContact O-CE3 3.29Å; P54-W183 WeakPolarHBondContact O-CZ3 3.46Å; Y55-W183 WeakPolarHBondContact O-CB 3.33Å; Y55-W183 VanDerWaalsContact O-CG 3.25Å; G56-W183 VanDerWaalsContact CA-CD2 3.43Å; F58-W183 HydrophobicContact CE2-CH2 4.1Å; F58-W183 AromaticContact CE2-CZ2 3.63Å; F58-W183 HydrophobicContact CE2-CZ2 3.63Å; F58-W183 HydrophobicContact CZ-CH2 4.18Å; F58-W183 HydrophobicContact CZ-CZ2 4.17Å; V180-W183 PolarHBondContact O-N 3.36Å; T181-W183 VanDerWaalsContact C-N 3.34Å; T181-W183 PolarHBondContact O-N 3.34Å; W183-H185 VanDerWaalsContact C-N 3.33Å; W183-H185 PolarHBondContact O-N 2.99Å; W183-L186 HydrophobicContact CZ3-CD1 4.49Å; W183-L186 PolarHBondContact O-N 3.41Å; W183-N187 WeakPolarHBondContact O-CB 3.35Å; W183-N187 PolarHBondContact O-N 3.23Å; W183-N187 VanDerWaalsContact O-N 3.1Å; W183-N187 PolarHBondContact O-ND2 3.39Å; W183-A220 HydrophobicContact CH2-CB 3.77Å; W183-A220 HydrophobicContact CZ3-CB 4.05Å
184	V	95.8	Very high	96.5	Very high	12 Å²	12	16.9 Å²	16.9	7%	0.073	10%	0.096	C	C	.	.	H	α-helix	trans	-61.7	-44.6	173.5	176.5	0	0	0	0	110.6	V180 T181 L186 N187 H188 L196	V180-V184 HydrophobicContact CG1-CG2 3.86Å; V180-V184 PolarHBondContact O-N 2.89Å; T181-V184 PolarHBondContact O-N 3.23Å; V184-L186 PolarHBondContact O-N 3.11Å; V184-N187 PolarHBondContact O-N 3.41Å; V184-H188 WeakPolarHBondContact O-CB 3.41Å; V184-H188 PolarHBondContact O-CD2 3.13Å; V184-H188 PolarHBondContact O-N 2.94Å; V184-L196 HydrophobicContact CB-CD2 4.13Å; V184-L196 HydrophobicContact CG1-CB 4.22Å; V184-L196 HydrophobicContact CG1-CD2 4.27Å; V184-L196 HydrophobicContact CG2-CD2 3.98Å
185	H	95.9	Very high	96.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-40.6	-179.5	-168.5	-174.6	0	0	0	113	T181 M182 W183 G189 D190 L193 Y217 I240	T181-H185 WeakPolarHBondContact O-CB 3.35Å; T181-H185 PolarHBondContact O-N 3.39Å; M182-H185 PolarHBondContact O-N 2.93Å; W183-H185 VanDerWaalsContact C-N 3.33Å; W183-H185 PolarHBondContact O-N 2.99Å; H185-G189 VanDerWaalsContact CD2-C 3.49Å; H185-G189 PolarHBondContact CD2-O 3.41Å; H185-G189 VanDerWaalsContact O-CA 3.23Å; H185-G189 WeakPolarHBondContact O-CA 3.47Å; H185-G189 PolarHBondContact O-N 3Å; H185-D190 IonicContact CE1-OD1 2.68Å; H185-D190 IonicContact NE2-OD1 3.97Å; H185-D190 PolarHBondContact NE2-OD1 3.33Å; H185-D190 VanDerWaalsContact NE2-OD1 3.09Å; H185-L193 HydrophobicContact CB-CB 4.02Å; H185-L193 HydrophobicContact CB-CD2 4.37Å; H185-Y217 HydrophobicContact CB-CE1 3.93Å; H185-Y217 AromaticContact CG-CE1 3.79Å; H185-Y217 AromaticContact ND1-CE1 3.34Å; H185-Y217 VanDerWaalsContact ND1-CE1 3.34Å; H185-Y217 WeakPolarHBondContact ND1-CE1 3.42Å; H185-Y217 AromaticContact ND1-CZ 3.5Å; H185-Y217 PolarHBondContact ND1-OH 2.87Å; H185-I240 PolarHBondContact CE1-O 2.73Å; H185-I240 VanDerWaalsContact CE1-O 3.23Å
186	L	93.1	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.8	-31.8	177.4	-75	172.8	0	0	0	113	M182 W183 V184 Y217 A220 F232 H234 F235 L238	M182-L186 HydrophobicContact CG-CD1 3.8Å; M182-L186 HydrophobicContact CG-CG 4.25Å; M182-L186 WeakPolarHBondContact O-CB 3.4Å; M182-L186 VanDerWaalsContact O-CG 3.27Å; M182-L186 WeakPolarHBondContact O-CG 3.39Å; M182-L186 PolarHBondContact O-N 3.49Å; M182-L186 HydrophobicContact SD-CD1 4.44Å; W183-L186 HydrophobicContact CZ3-CD1 4.49Å; W183-L186 PolarHBondContact O-N 3.41Å; V184-L186 PolarHBondContact O-N 3.11Å; L186-Y217 HydrophobicContact CD1-CD1 4.35Å; L186-Y217 HydrophobicContact CD2-CD1 3.7Å; L186-Y217 HydrophobicContact CD2-CE1 4.38Å; L186-Y217 HydrophobicContact CG-CD1 3.8Å; L186-Y217 HydrophobicContact CG-CE1 4.15Å; L186-A220 HydrophobicContact CD1-CB 3.83Å; L186-F232 HydrophobicContact CB-CD1 4.13Å; L186-F232 HydrophobicContact CB-CE1 3.79Å; L186-H234 WeakPolarHBondContact O-CB 3.33Å; L186-F235 HydrophobicContact CD2-CB 4.21Å; L186-F235 HydrophobicContact CD2-CD2 3.85Å; L186-F235 HydrophobicContact CD2-CG 4.48Å; L186-L238 HydrophobicContact CD2-CD1 4.34Å
187	N	91.9	Very high	96.4	Very high	27 Å²	27	22.7 Å²	22.7	14%	0.144	12%	0.123	C	C	.	.	H	α-helix	trans	-86.8	-36.5	-178.2	-77.1	-78.2	0	0	0	112.9	P54 Y55 W183 V184 F232 H234	P54-N187 PolarHBondContact O-ND2 3.21Å; Y55-N187 HydrophobicContact CE1-CB 4.5Å; Y55-N187 VanDerWaalsContact CE1-OD1 3.31Å; Y55-N187 WeakPolarHBondContact CE1-OD1 3.36Å; W183-N187 WeakPolarHBondContact O-CB 3.35Å; W183-N187 PolarHBondContact O-N 3.23Å; W183-N187 VanDerWaalsContact O-N 3.1Å; W183-N187 PolarHBondContact O-ND2 3.39Å; V184-N187 PolarHBondContact O-N 3.41Å; N187-F232 WeakPolarHBondContact ND2-CZ 3.43Å; N187-F232 WeakPolarHBondContact OD1-CZ 3.32Å; N187-H234 PolarHBondContact O-CE1 2.9Å; N187-H234 VanDerWaalsContact O-CE1 3.3Å; N187-H234 PolarHBondContact O-ND1 3.11Å
188	H	93.2	Very high	96.4	Very high	75 Å²	75	25 Å²	25	35%	0.347	14%	0.139	S	C	.	.	H	α-helix	trans	-121.1	9.3	-170	-53.4	-87.5	0	0	0	113.6	V184 G192	V184-H188 WeakPolarHBondContact O-CB 3.41Å; V184-H188 PolarHBondContact O-CD2 3.13Å; V184-H188 PolarHBondContact O-N 2.94Å; H188-G192 PolarHBondContact O-N 3.39Å; H188-G192 VanDerWaalsContact O-N 3.14Å
189	G	94.6	Very high	96.4	Very high	8 Å²	8	28.1 Å²	28.1	8%	0.082	15%	0.15	C	C	.	.	H	α-helix	trans	67.3	-171	177.3	0	0	0	0	0	114.3	H185 S191 G192 L193	H185-G189 VanDerWaalsContact CD2-C 3.49Å; H185-G189 PolarHBondContact CD2-O 3.41Å; H185-G189 VanDerWaalsContact O-CA 3.23Å; H185-G189 WeakPolarHBondContact O-CA 3.47Å; H185-G189 PolarHBondContact O-N 3Å; G189-S191 PolarHBondContact O-N 3.27Å; G189-G192 PolarHBondContact O-N 3.12Å; G189-G192 VanDerWaalsContact O-N 3.15Å; G189-L193 PolarHBondContact O-N 3.23Å
190	D	96.6	Very high	96.5	Very high	31 Å²	31	27.8 Å²	27.8	17%	0.166	15%	0.148	C	C	.	.	H	α-helix	trans	-55	-39.8	-180	-58	-43.5	0	0	0	110.9	H185 G192 L193 L194 K239 I240	H185-D190 IonicContact CE1-OD1 2.68Å; H185-D190 IonicContact NE2-OD1 3.97Å; H185-D190 PolarHBondContact NE2-OD1 3.33Å; H185-D190 VanDerWaalsContact NE2-OD1 3.09Å; D190-G192 PolarHBondContact O-N 2.92Å; D190-L193 PolarHBondContact O-N 3.03Å; D190-L194 WeakPolarHBondContact O-CG 3.41Å; D190-L194 PolarHBondContact O-N 3.08Å; D190-K239 VanDerWaalsContact CG-N 3.3Å; D190-K239 PolarHBondContact OD1-N 3.27Å; D190-K239 VanDerWaalsContact OD2-CB 3.24Å; D190-K239 WeakPolarHBondContact OD2-CB 3.48Å; D190-K239 WeakPolarHBondContact OD2-CG 3.49Å; D190-K239 PolarHBondContact OD2-N 2.82Å; D190-I240 HydrophobicContact CB-CD1 3.89Å; D190-I240 HydrophobicContact CB-CG1 4.23Å; D190-I240 WeakPolarHBondContact OD1-CB 3.23Å; D190-I240 PolarHBondContact OD1-N 2.79Å
191	S	96.3	Very high	96.6	Very high	71 Å²	71	27.1 Å²	27.1	50%	0.497	14%	0.144	S	C	.	.	H	α-helix	trans	-60.6	-45.6	179.7	-172.7	0	0	0	0	112	G189 L193 L194 Q195	G189-S191 PolarHBondContact O-N 3.27Å; S191-L193 PolarHBondContact O-N 3.34Å; S191-L194 PolarHBondContact O-N 3.2Å; S191-Q195 WeakPolarHBondContact O-CB 3.35Å; S191-Q195 VanDerWaalsContact O-CG 3.22Å; S191-Q195 WeakPolarHBondContact O-CG 3.27Å; S191-Q195 PolarHBondContact O-N 3.18Å; S191-Q195 PolarHBondContact OG-NE2 2.87Å
192	G	96.6	Very high	96.6	Very high	6 Å²	6	30.2 Å²	30.2	6%	0.062	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-39.3	178.2	0	0	0	0	0	113	H188 G189 D190 Q195 L196	H188-G192 PolarHBondContact O-N 3.39Å; H188-G192 VanDerWaalsContact O-N 3.14Å; G189-G192 PolarHBondContact O-N 3.12Å; G189-G192 VanDerWaalsContact O-N 3.15Å; D190-G192 PolarHBondContact O-N 2.92Å; G192-Q195 PolarHBondContact O-N 3.31Å; G192-L196 WeakPolarHBondContact O-CB 3.46Å; G192-L196 PolarHBondContact O-N 3.19Å
193	L	98.1	Very high	96.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-50	174.2	174.5	61.3	0	0	0	111.4	T181 H185 G189 D190 S191 L196 L197 I240 V244	T181-L193 HydrophobicContact CG2-CD1 4.09Å; H185-L193 HydrophobicContact CB-CB 4.02Å; H185-L193 HydrophobicContact CB-CD2 4.37Å; G189-L193 PolarHBondContact O-N 3.23Å; D190-L193 PolarHBondContact O-N 3.03Å; S191-L193 PolarHBondContact O-N 3.34Å; L193-L196 PolarHBondContact O-N 2.99Å; L193-L197 HydrophobicContact CD1-CD1 4.22Å; L193-L197 HydrophobicContact CD1-CG 4.38Å; L193-L197 HydrophobicContact CG-CD1 4.29Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.44Å; L193-L197 VanDerWaalsContact O-N 3.11Å; L193-I240 HydrophobicContact CD2-CD1 4.15Å; L193-I240 HydrophobicContact CD2-CG2 4.08Å; L193-V244 HydrophobicContact CD2-CG1 4.08Å
194	L	98.5	Very high	96.8	Very high	55 Å²	55	29.6 Å²	29.6	29%	0.288	17%	0.168	S	C	.	.	H	α-helix	trans	-67.3	-37.4	-178.4	-61	-178.5	0	0	0	111.8	D190 S191 L197 S198 I240 H251	D190-L194 WeakPolarHBondContact O-CG 3.41Å; D190-L194 PolarHBondContact O-N 3.08Å; S191-L194 PolarHBondContact O-N 3.2Å; L194-L197 PolarHBondContact O-N 3.19Å; L194-S198 WeakPolarHBondContact O-CB 3.14Å; L194-S198 PolarHBondContact O-N 3.05Å; L194-S198 PolarHBondContact O-OG 2.87Å; L194-I240 HydrophobicContact CD1-CD1 4.33Å; L194-I240 HydrophobicContact CD2-CD1 3.86Å; L194-I240 HydrophobicContact CG-CD1 4.05Å; L194-H251 HydrophobicContact CD2-CB 3.9Å; L194-H251 PolarHBondContact O-NE2 3.06Å
195	Q	98.3	Very high	97	Very high	116 Å²	116	30.2 Å²	30.2	54%	0.542	17%	0.173	S	C	.	.	H	α-helix	trans	-64.9	-42.6	175.4	-75.4	176.3	27.9	0	0	112.2	S191 G192 S198 R199	S191-Q195 WeakPolarHBondContact O-CB 3.35Å; S191-Q195 VanDerWaalsContact O-CG 3.22Å; S191-Q195 WeakPolarHBondContact O-CG 3.27Å; S191-Q195 PolarHBondContact O-N 3.18Å; S191-Q195 PolarHBondContact OG-NE2 2.87Å; G192-Q195 PolarHBondContact O-N 3.31Å; Q195-S198 PolarHBondContact O-N 3.3Å; Q195-R199 WeakPolarHBondContact O-CB 3.48Å; Q195-R199 PolarHBondContact O-N 2.99Å
196	L	98.5	Very high	97.1	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-55.3	-53.7	172.7	173.8	70.8	0	0	0	110.5	V97 I153 V184 G192 L193 S198 R199 L200	V97-L196 HydrophobicContact CG1-CD1 4.45Å; I153-L196 HydrophobicContact CB-CD1 4.48Å; I153-L196 HydrophobicContact CG1-CD1 3.82Å; I153-L196 HydrophobicContact CG2-CD1 3.79Å; V184-L196 HydrophobicContact CB-CD2 4.13Å; V184-L196 HydrophobicContact CG1-CB 4.22Å; V184-L196 HydrophobicContact CG1-CD2 4.27Å; V184-L196 HydrophobicContact CG2-CD2 3.98Å; G192-L196 WeakPolarHBondContact O-CB 3.46Å; G192-L196 PolarHBondContact O-N 3.19Å; L193-L196 PolarHBondContact O-N 2.99Å; L196-S198 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 2.88Å; L196-R199 PolarHBondContact O-N 3.42Å; L196-L200 HydrophobicContact CD1-CD1 3.99Å; L196-L200 HydrophobicContact CD1-CG 4.12Å; L196-L200 HydrophobicContact CG-CD1 4.11Å; L196-L200 HydrophobicContact CG-CG 4.46Å; L196-L200 VanDerWaalsContact O-CG 3.32Å; L196-L200 WeakPolarHBondContact O-CG 3.32Å; L196-L200 PolarHBondContact O-N 2.89Å
197	L	98.8	Very high	97.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-44.5	-178.8	-67.3	172.2	0	0	0	111.9	L193 L194 L200 A201 L209 A248 L252	L193-L197 HydrophobicContact CD1-CD1 4.22Å; L193-L197 HydrophobicContact CD1-CG 4.38Å; L193-L197 HydrophobicContact CG-CD1 4.29Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.44Å; L193-L197 VanDerWaalsContact O-N 3.11Å; L194-L197 PolarHBondContact O-N 3.19Å; L197-L200 PolarHBondContact O-N 2.86Å; L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 2.68Å; L197-L209 HydrophobicContact CD2-CD1 4.23Å; L197-L209 HydrophobicContact CD2-CD2 4.34Å; L197-A248 HydrophobicContact CD1-CB 3.69Å; L197-A248 HydrophobicContact CD2-CB 4.31Å; L197-L252 HydrophobicContact CB-CD2 4.08Å; L197-L252 HydrophobicContact CB-CG 4.48Å; L197-L252 HydrophobicContact CD2-CD1 4.25Å; L197-L252 HydrophobicContact CD2-CD2 4.43Å; L197-L252 HydrophobicContact CD2-CG 4.4Å
198	S	98.6	Very high	97.7	Very high	48 Å²	48	29.5 Å²	29.5	34%	0.336	17%	0.169	S	C	.	.	H	α-helix	trans	-61.5	-43.2	176.1	-65.9	0	0	0	0	112.5	L194 Q195 L196 A202 H251	L194-S198 WeakPolarHBondContact O-CB 3.14Å; L194-S198 PolarHBondContact O-N 3.05Å; L194-S198 PolarHBondContact O-OG 2.87Å; Q195-S198 PolarHBondContact O-N 3.3Å; L196-S198 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 2.88Å; S198-A202 WeakPolarHBondContact O-CB 3.29Å; S198-A202 PolarHBondContact O-N 2.84Å; S198-H251 PolarHBondContact OG-NE2 3.44Å
199	R	98.1	Very high	98	Very high	77 Å²	77	26 Å²	26	29%	0.291	15%	0.152	S	C	.	.	H	α-helix	trans	-63.8	-49.6	178.8	-174	-176.6	-69.9	-92.8	3.9	110.7	I153 E155 T157 Q195 L196 A201 A202 I203	I153-R199 PolarHBondContact O-NE 3.04Å; E155-R199 PolarHBondContact O-NH2 2.9Å; T157-R199 PolarHBondContact OG1-NH1 2.95Å; Q195-R199 WeakPolarHBondContact O-CB 3.48Å; Q195-R199 PolarHBondContact O-N 2.99Å; L196-R199 PolarHBondContact O-N 3.42Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-A201 PolarHBondContact O-N 3.12Å; R199-A202 PolarHBondContact O-N 3.01Å; R199-A202 VanDerWaalsContact O-N 3.13Å; R199-I203 WeakPolarHBondContact O-CG1 3.19Å; R199-I203 PolarHBondContact O-N 3.28Å; R199-I203 VanDerWaalsContact O-N 3.12Å
200	L	98.6	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-40.6	179.9	-64.2	-176.1	0	0	0	112.1	V97 C177 L196 L197 I203 S204 L207	V97-L200 HydrophobicContact CG2-CD1 4.1Å; V97-L200 HydrophobicContact CG2-CD2 3.53Å; V97-L200 HydrophobicContact CG2-CG 4.47Å; C177-L200 HydrophobicContact CB-CD1 3.7Å; L196-L200 HydrophobicContact CD1-CD1 3.99Å; L196-L200 HydrophobicContact CD1-CG 4.12Å; L196-L200 HydrophobicContact CG-CD1 4.11Å; L196-L200 HydrophobicContact CG-CG 4.46Å; L196-L200 VanDerWaalsContact O-CG 3.32Å; L196-L200 WeakPolarHBondContact O-CG 3.32Å; L196-L200 PolarHBondContact O-N 2.89Å; L197-L200 PolarHBondContact O-N 2.86Å; L200-I203 HydrophobicContact CD2-CD1 4.32Å; L200-S204 WeakPolarHBondContact O-CB 3.25Å; L200-S204 PolarHBondContact O-N 3.16Å; L200-S204 PolarHBondContact O-OG 3.12Å; L200-L207 HydrophobicContact CB-CD1 4.23Å; L200-L207 HydrophobicContact CB-CD2 4.32Å; L200-L207 HydrophobicContact CD1-CD1 4.09Å
201	A	98.6	Very high	98.2	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-37.8	174.4	0	0	0	0	0	112.7	L197 R199 L252 C256 M258	L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 2.68Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-A201 PolarHBondContact O-N 3.12Å; A201-L252 HydrophobicContact CB-CD2 4.05Å; A201-C256 HydrophobicContact CB-CB 3.56Å; A201-M258 HydrophobicContact CB-CG 3.72Å; A201-M258 HydrophobicContact CB-SD 4.02Å
202	A	97.8	Very high	98.2	Very high	64 Å²	64	21.1 Å²	21.1	53%	0.529	12%	0.12	S	C	.	.	H	α-helix	trans	-68.5	-34.8	-179.6	0	0	0	0	0	113.1	S198 R199 R278	S198-A202 WeakPolarHBondContact O-CB 3.29Å; S198-A202 PolarHBondContact O-N 2.84Å; R199-A202 PolarHBondContact O-N 3.01Å; R199-A202 VanDerWaalsContact O-N 3.13Å; A202-R278 PolarHBondContact O-NH1 3.1Å
203	I	97.6	Very high	98.1	Very high	20 Å²	20	22.1 Å²	22.1	10%	0.103	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	4.8	-175.6	70.8	-179.6	0	0	0	113.7	L95 L160 F172 R199 L200	L95-I203 HydrophobicContact CD2-CD1 3.73Å; L160-I203 HydrophobicContact CD1-CD1 3.98Å; F172-I203 HydrophobicContact CD2-CD1 4.43Å; F172-I203 HydrophobicContact CD2-CG1 4.43Å; F172-I203 PolarHBondContact N-O 3.3Å; R199-I203 WeakPolarHBondContact O-CG1 3.19Å; R199-I203 PolarHBondContact O-N 3.28Å; R199-I203 VanDerWaalsContact O-N 3.12Å; L200-I203 HydrophobicContact CD2-CD1 4.32Å
204	S	98.4	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.8	-176.5	68.7	0	0	0	0	115.4	F172 C175 L200 H206	F172-S204 CarbonylContact O-C 3.58Å; F172-S204 WeakPolarHBondContact O-CA 3.17Å; C175-S204 WeakPolarHBondContact SG-CB 3.25Å; L200-S204 WeakPolarHBondContact O-CB 3.25Å; L200-S204 PolarHBondContact O-N 3.16Å; L200-S204 PolarHBondContact O-OG 3.12Å; S204-H206 PolarHBondContact OG-O 3.1Å
205	S	98.6	Very high	97.7	Very high	25 Å²	25	25.7 Å²	25.7	18%	0.175	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-40.3	168	-88	0	0	0	0	111.7	Y84 H171 F172 R278	Y84-S205 VanDerWaalsContact OH-CB 3.25Å; Y84-S205 WeakPolarHBondContact OH-CB 3.16Å; H171-S205 PolarHBondContact CD2-OG 3.33Å; H171-S205 PolarHBondContact NE2-OG 3.08Å; F172-S205 PolarHBondContact O-N 3.41Å; S205-R278 PolarHBondContact O-N 3.14Å
206	H	98.9	Very high	97.4	Very high	12 Å²	12	21.3 Å²	21.3	6%	0.056	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.4	177.5	-61.1	89.1	0	0	0	111.3	L82 Y84 H173 L174 C175 S204 L275 F276 R277	L82-H206 HydrophobicContact CD1-CB 4.14Å; L82-H206 VanDerWaalsContact CD2-CD2 3.48Å; L82-H206 WeakPolarHBondContact CD2-CD2 3.5Å; L82-H206 WeakPolarHBondContact CD2-NE2 3.47Å; Y84-H206 AromaticContact CE2-CE1 3.95Å; Y84-H206 AromaticContact CE2-ND1 3.6Å; Y84-H206 AromaticContact CZ-CE1 3.84Å; Y84-H206 AromaticContact CZ-ND1 3.66Å; Y84-H206 PolarHBondContact OH-CE1 3.42Å; Y84-H206 PolarHBondContact OH-ND1 2.94Å; H173-H206 WeakPolarHBondContact O-CB 3.3Å; H173-H206 PolarHBondContact O-N 2.91Å; H173-H206 VanDerWaalsContact O-N 3.14Å; H173-H206 PolarHBondContact O-ND1 2.85Å; L174-H206 CarbonylContact C-O 3.5Å; L174-H206 HydrophobicContact CD1-CB 3.88Å; C175-H206 PolarHBondContact N-O 2.72Å; S204-H206 PolarHBondContact OG-O 3.1Å; H206-L275 HydrophobicContact CB-CD1 4.32Å; H206-F276 CarbonylContact C-O 3.55Å; H206-F276 VanDerWaalsContact CA-O 3.23Å; H206-F276 WeakPolarHBondContact CA-O 3.11Å; H206-R277 WeakPolarHBondContact NE2-CG 3.24Å
207	L	98.9	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118	175.3	173.5	62.2	0	0	0	109.8	C175 C177 L200 L252 M258 L275 F276	C175-L207 HydrophobicContact CB-CD1 3.84Å; C175-L207 CarbonylContact O-C 3.49Å; C175-L207 WeakPolarHBondContact O-CA 3.36Å; C177-L207 HydrophobicContact CB-CD1 3.91Å; L200-L207 HydrophobicContact CB-CD1 4.23Å; L200-L207 HydrophobicContact CB-CD2 4.32Å; L200-L207 HydrophobicContact CD1-CD1 4.09Å; L207-L252 HydrophobicContact CD2-CD1 3.96Å; L207-L252 HydrophobicContact CD2-CD2 3.92Å; L207-M258 HydrophobicContact CB-CE 3.77Å; L207-L275 WeakPolarHBondContact O-CA 3.43Å; L207-F276 HydrophobicContact CB-CB 4.34Å; L207-F276 PolarHBondContact N-O 3.42Å; L207-F276 PolarHBondContact O-N 3.41Å
208	L	98.9	Very high	96.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113	169.3	-176.3	63.5	0	0	0	109.7	I74 L174 C175 L176 C177 L178 F264 L273 L275	I74-L208 HydrophobicContact CD1-CD2 3.83Å; I74-L208 HydrophobicContact CG1-CD2 4.15Å; L174-L208 HydrophobicContact CD1-CB 4.25Å; C175-L208 PolarHBondContact O-N 2.91Å; L176-L208 HydrophobicContact CD2-CB 4.05Å; L176-L208 HydrophobicContact CD2-CD2 4.01Å; C177-L208 PolarHBondContact N-O 3.42Å; L178-L208 HydrophobicContact CD2-CD2 4.35Å; L178-L208 HydrophobicContact CD2-CG 4.16Å; L208-F264 HydrophobicContact CD1-CD2 3.89Å; L208-F264 HydrophobicContact CD1-CE2 3.8Å; L208-L273 HydrophobicContact CD1-CB 4.39Å; L208-L275 HydrophobicContact CB-CD1 4.32Å; L208-L275 HydrophobicContact CD1-CB 4.24Å; L208-L275 HydrophobicContact CD1-CD1 4.43Å
209	L	98.8	Very high	96.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.3	-172.2	-176.1	68	0	0	0	111.8	C177 T181 L197 A248 L252 L274 F276	C177-L209 HydrophobicContact CB-CD1 3.88Å; T181-L209 HydrophobicContact CG2-CD1 3.69Å; L197-L209 HydrophobicContact CD2-CD1 4.23Å; L197-L209 HydrophobicContact CD2-CD2 4.34Å; L209-A248 HydrophobicContact CD2-CB 3.81Å; L209-L252 HydrophobicContact CD2-CD1 4.16Å; L209-L274 PolarHBondContact N-O 3.3Å; L209-L274 PolarHBondContact O-N 3.15Å; L209-F276 HydrophobicContact CB-CD2 4.41Å; L209-F276 HydrophobicContact CB-CE2 4.08Å; L209-F276 HydrophobicContact CD2-CE2 4.03Å
210	E	98.1	Very high	96.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	91.6	165	-170.1	-163.3	134.4	0	0	109.1	R70 C177 L178 A179 R271 L273	R70-E210 IonicContact CZ-OE1 3.83Å; R70-E210 IonicContact CZ-OE2 3.76Å; R70-E210 IonicContact NE-OE1 3.82Å; R70-E210 IonicContact NE-OE2 3.74Å; R70-E210 PolarHBondContact NE-OE2 3.23Å; R70-E210 IonicContact NH2-OE1 3.95Å; R70-E210 PolarHBondContact NH2-OE1 3.04Å; R70-E210 VanDerWaalsContact NH2-OE1 3.14Å; R70-E210 IonicContact NH2-OE2 2.6Å; R70-E210 PolarHBondContact NH2-OE2 2.89Å; C177-E210 PolarHBondContact O-N 3.3Å; L178-E210 HydrophobicContact CB-CB 4.4Å; L178-E210 HydrophobicContact CD2-CB 3.88Å; A179-E210 WeakPolarHBondContact CA-O 3.49Å; A179-E210 PolarHBondContact N-O 3.22Å; E210-R271 HydrophobicContact CG-CB 3.83Å; E210-R271 WeakPolarHBondContact OE1-CD 3.18Å; E210-R271 IonicContact OE1-CZ 2.88Å; E210-R271 IonicContact OE1-NE 3.9Å; E210-R271 IonicContact OE1-NH1 3.14Å; E210-R271 PolarHBondContact OE1-NH1 2.65Å; E210-L273 HydrophobicContact CB-CD2 3.65Å; E210-L273 HydrophobicContact CG-CD2 3.97Å
211	A	97.4	Very high	95.6	Very high	5 Å²	5	25.8 Å²	25.8	4%	0.041	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-80.9	129.6	175	0	0	0	0	0	111.1	T181 A245	T181-A211 WeakPolarHBondContact OG1-CA 3.46Å; A211-A245 HydrophobicContact CB-CB 4Å
212	Q	95.7	Very high	95.1	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-75.1	141.2	178.1	-56.4	100.3	-49.7	0	0	111.5	A179 T181 M182 C216 Y217	A179-Q212 VanDerWaalsContact CA-CD 3.45Å; A179-Q212 HydrophobicContact CB-CG 4.1Å; A179-Q212 PolarHBondContact O-NE2 2.95Å; T181-Q212 PolarHBondContact OG1-OE1 3.05Å; M182-Q212 HydrophobicContact CB-CB 4.05Å; M182-Q212 HydrophobicContact CB-CG 4.31Å; M182-Q212 VanDerWaalsContact N-OE1 3.09Å; M182-Q212 HydrophobicContact SD-CB 4.25Å; Q212-C216 HydrophobicContact CB-CB 4.12Å; Q212-Y217 WeakPolarHBondContact O-CE2 3.34Å
213	P	94.4	Very high	94.6	Very high	28 Å²	28	33.1 Å²	33.1	18%	0.182	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-70.4	156.9	179.8	26.9	-35.5	0	0	0	112	K215 C216	P213-K215 HydrophobicContact CB-CG 4.19Å; P213-K215 HydrophobicContact CG-CD 4.26Å; P213-K215 HydrophobicContact CG-CG 3.89Å; P213-K215 PolarHBondContact O-N 3.31Å; P213-C216 VanDerWaalsContact O-CB 3.32Å; P213-C216 WeakPolarHBondContact O-CB 3.5Å; P213-C216 PolarHBondContact O-N 3.41Å
214	W	94.9	Very high	93.8	Very high	38 Å²	38	32.1 Å²	32.1	14%	0.144	15%	0.149	C	C	.	.	H	α-helix	trans	-55.4	-26.3	-178.5	-161.6	-115.3	0	0	0	115	C216 Y217 R218 F235 L238 I240 R241 G242 V244	W214-C216 PolarHBondContact O-N 3.09Å; W214-Y217 HydrophobicContact CD2-CG 4.35Å; W214-Y217 AromaticContact CE3-CD1 3.96Å; W214-Y217 HydrophobicContact CE3-CD1 3.96Å; W214-Y217 AromaticContact CE3-CD2 3.81Å; W214-Y217 HydrophobicContact CE3-CD2 3.81Å; W214-Y217 HydrophobicContact CE3-CE1 4.33Å; W214-Y217 HydrophobicContact CE3-CE2 4.19Å; W214-Y217 AromaticContact CE3-CG 3.69Å; W214-Y217 HydrophobicContact CE3-CG 3.69Å; W214-Y217 HydrophobicContact CH2-CD1 4.22Å; W214-Y217 AromaticContact CZ3-CD1 3.59Å; W214-Y217 HydrophobicContact CZ3-CD1 3.59Å; W214-Y217 HydrophobicContact CZ3-CD2 4.28Å; W214-Y217 AromaticContact CZ3-CE1 3.85Å; W214-Y217 HydrophobicContact CZ3-CE1 3.85Å; W214-Y217 HydrophobicContact CZ3-CE2 4.49Å; W214-Y217 AromaticContact CZ3-CG 3.83Å; W214-Y217 HydrophobicContact CZ3-CG 3.83Å; W214-Y217 WeakPolarHBondContact O-CB 3.44Å; W214-Y217 PolarHBondContact O-N 3.47Å; W214-R218 PolarHBondContact O-N 3.04Å; W214-F235 AromaticContact CE2-CE2 3.99Å; W214-F235 HydrophobicContact CH2-CD2 4.44Å; W214-F235 AromaticContact CH2-CE2 3.94Å; W214-F235 HydrophobicContact CH2-CE2 3.94Å; W214-F235 HydrophobicContact CZ2-CD2 4.35Å; W214-F235 AromaticContact CZ2-CE2 3.51Å; W214-F235 HydrophobicContact CZ2-CE2 3.51Å; W214-F235 AromaticContact CZ2-CZ 3.94Å; W214-F235 HydrophobicContact CZ2-CZ 3.94Å; W214-L238 HydrophobicContact CH2-CB 4.23Å; W214-L238 HydrophobicContact CH2-CD1 3.77Å; W214-L238 HydrophobicContact CZ3-CD1 4.16Å; W214-I240 WeakPolarHBondContact CZ3-O 3.34Å; W214-R241 HydrophobicContact CD2-CB 4.36Å; W214-R241 HydrophobicContact CE3-CB 4.43Å; W214-R241 HydrophobicContact CH2-CB 3.84Å; W214-R241 HydrophobicContact CH2-CG 3.53Å; W214-R241 HydrophobicContact CZ2-CB 3.74Å; W214-R241 HydrophobicContact CZ2-CG 3.57Å; W214-R241 HydrophobicContact CZ3-CB 4.19Å; W214-R241 HydrophobicContact CZ3-CG 4.26Å; W214-G242 WeakPolarHBondContact CB-O 3.29Å; W214-V244 HydrophobicContact CE3-CG2 3.94Å; W214-V244 HydrophobicContact CZ3-CG2 4.34Å
215	K	93.4	Very high	93.1	Very high	92 Å²	92	40.1 Å²	40.1	40%	0.4	18%	0.179	S	C	.	.	H	α-helix	trans	-58.3	-35.7	173.4	67.9	-174.4	-179	-166.8	0	112	P213 S219 W269	P213-K215 HydrophobicContact CB-CG 4.19Å; P213-K215 HydrophobicContact CG-CD 4.26Å; P213-K215 HydrophobicContact CG-CG 3.89Å; P213-K215 PolarHBondContact O-N 3.31Å; K215-S219 PolarHBondContact O-N 3.48Å; K215-S219 PolarHBondContact O-OG 2.88Å; K215-W269 WeakPolarHBondContact CE-O 3.46Å; K215-W269 PolarHBondContact NZ-O 3.36Å
216	C	92.8	Very high	92.3	Very high	25 Å²	25	47 Å²	47	17%	0.169	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-39.2	177	-63.9	0	0	0	0	111.6	M182 Q212 P213 W214 R218 S219 A220	M182-C216 HydrophobicContact CE-CB 4.45Å; M182-C216 HydrophobicContact SD-CB 3.49Å; M182-C216 WeakPolarHBondContact SD-CB 3.47Å; Q212-C216 HydrophobicContact CB-CB 4.12Å; P213-C216 VanDerWaalsContact O-CB 3.32Å; P213-C216 WeakPolarHBondContact O-CB 3.5Å; P213-C216 PolarHBondContact O-N 3.41Å; W214-C216 PolarHBondContact O-N 3.09Å; C216-R218 PolarHBondContact O-N 3.49Å; C216-S219 PolarHBondContact O-N 3.23Å; C216-A220 WeakPolarHBondContact O-CB 3.46Å; C216-A220 PolarHBondContact O-N 2.94Å
217	Y	93.4	Very high	91.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-48.1	175.2	-74.3	-110.8	0	0	0	111.2	M182 H185 L186 Q212 W214 S219 A220 A221 L238 V244	M182-Y217 WeakPolarHBondContact CA-OH 3.42Å; M182-Y217 HydrophobicContact CB-CD2 4.2Å; M182-Y217 HydrophobicContact CB-CE1 4.27Å; M182-Y217 HydrophobicContact CB-CE2 3.64Å; M182-Y217 HydrophobicContact CG-CD1 3.87Å; M182-Y217 HydrophobicContact CG-CD2 3.56Å; M182-Y217 HydrophobicContact CG-CE1 3.81Å; M182-Y217 HydrophobicContact CG-CE2 3.5Å; M182-Y217 HydrophobicContact CG-CG 3.74Å; M182-Y217 HydrophobicContact SD-CD2 3.85Å; M182-Y217 HydrophobicContact SD-CE2 4.25Å; M182-Y217 HydrophobicContact SD-CG 4.15Å; M182-Y217 PolarHBondContact SD-N 2.87Å; M182-Y217 VanDerWaalsContact SD-N 3.42Å; H185-Y217 HydrophobicContact CB-CE1 3.93Å; H185-Y217 AromaticContact CG-CE1 3.79Å; H185-Y217 AromaticContact ND1-CE1 3.34Å; H185-Y217 VanDerWaalsContact ND1-CE1 3.34Å; H185-Y217 WeakPolarHBondContact ND1-CE1 3.42Å; H185-Y217 AromaticContact ND1-CZ 3.5Å; H185-Y217 PolarHBondContact ND1-OH 2.87Å; L186-Y217 HydrophobicContact CD1-CD1 4.35Å; L186-Y217 HydrophobicContact CD2-CD1 3.7Å; L186-Y217 HydrophobicContact CD2-CE1 4.38Å; L186-Y217 HydrophobicContact CG-CD1 3.8Å; L186-Y217 HydrophobicContact CG-CE1 4.15Å; Q212-Y217 WeakPolarHBondContact O-CE2 3.34Å; W214-Y217 HydrophobicContact CD2-CG 4.35Å; W214-Y217 AromaticContact CE3-CD1 3.96Å; W214-Y217 HydrophobicContact CE3-CD1 3.96Å; W214-Y217 AromaticContact CE3-CD2 3.81Å; W214-Y217 HydrophobicContact CE3-CD2 3.81Å; W214-Y217 HydrophobicContact CE3-CE1 4.33Å; W214-Y217 HydrophobicContact CE3-CE2 4.19Å; W214-Y217 AromaticContact CE3-CG 3.69Å; W214-Y217 HydrophobicContact CE3-CG 3.69Å; W214-Y217 HydrophobicContact CH2-CD1 4.22Å; W214-Y217 AromaticContact CZ3-CD1 3.59Å; W214-Y217 HydrophobicContact CZ3-CD1 3.59Å; W214-Y217 HydrophobicContact CZ3-CD2 4.28Å; W214-Y217 AromaticContact CZ3-CE1 3.85Å; W214-Y217 HydrophobicContact CZ3-CE1 3.85Å; W214-Y217 HydrophobicContact CZ3-CE2 4.49Å; W214-Y217 AromaticContact CZ3-CG 3.83Å; W214-Y217 HydrophobicContact CZ3-CG 3.83Å; W214-Y217 WeakPolarHBondContact O-CB 3.44Å; W214-Y217 PolarHBondContact O-N 3.47Å; Y217-S219 VanDerWaalsContact C-N 3.31Å; Y217-S219 PolarHBondContact O-N 3Å; Y217-A220 PolarHBondContact O-N 3.23Å; Y217-A221 WeakPolarHBondContact O-CB 3.2Å; Y217-A221 PolarHBondContact O-N 3.42Å; Y217-L238 HydrophobicContact CD1-CD1 4.17Å; Y217-L238 HydrophobicContact CE1-CD1 4.18Å; Y217-V244 HydrophobicContact CE2-CG2 3.91Å
218	R	91.6	Very high	90.1	Very high	151 Å²	151	52.6 Å²	52.6	57%	0.57	25%	0.25	S	S	*	.	H	α-helix	trans	-59.5	-41.7	177.6	-68.6	-171.3	-66.1	-144.2	-0.6	112.2	W214 C216 R222 F235	W214-R218 PolarHBondContact O-N 3.04Å; C216-R218 PolarHBondContact O-N 3.49Å; R218-R222 VanDerWaalsContact O-CB 3.24Å; R218-R222 WeakPolarHBondContact O-CB 3.36Å; R218-R222 PolarHBondContact O-N 3.45Å; R218-F235 HydrophobicContact CG-CZ 3.89Å
219	S	91.3	Very high	88.7	Confident	61 Å²	61	54.5 Å²	54.5	43%	0.427	26%	0.257	S	S	.	.	H	α-helix	trans	-66.2	-45.5	178.1	-69.2	0	0	0	0	112.1	K215 C216 Y217 R222 R223	K215-S219 PolarHBondContact O-N 3.48Å; K215-S219 PolarHBondContact O-OG 2.88Å; C216-S219 PolarHBondContact O-N 3.23Å; Y217-S219 VanDerWaalsContact C-N 3.31Å; Y217-S219 PolarHBondContact O-N 3Å; S219-R222 PolarHBondContact O-N 2.9Å; S219-R223 PolarHBondContact O-N 3.46Å
220	A	90.1	Very high	87	Confident	3 Å²	3	59.5 Å²	59.5	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-52.1	177.4	0	0	0	0	0	111.5	M182 W183 L186 C216 Y217 R222 R223 L224	M182-A220 HydrophobicContact CE-CB 4.12Å; W183-A220 HydrophobicContact CH2-CB 3.77Å; W183-A220 HydrophobicContact CZ3-CB 4.05Å; L186-A220 HydrophobicContact CD1-CB 3.83Å; C216-A220 WeakPolarHBondContact O-CB 3.46Å; C216-A220 PolarHBondContact O-N 2.94Å; Y217-A220 PolarHBondContact O-N 3.23Å; A220-R222 VanDerWaalsContact C-N 3.28Å; A220-R222 PolarHBondContact O-N 3.44Å; A220-R223 WeakPolarHBondContact O-CB 3.39Å; A220-R223 PolarHBondContact O-N 3.41Å; A220-L224 WeakPolarHBondContact O-CG 3.38Å; A220-L224 PolarHBondContact O-N 3.49Å
221	A	87.9	Confident	85.4	Confident	9 Å²	9	63.4 Å²	63.4	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-37.3	178.5	0	0	0	0	0	112.5	Y217 R225 F235	Y217-A221 WeakPolarHBondContact O-CB 3.2Å; Y217-A221 PolarHBondContact O-N 3.42Å; A221-R225 WeakPolarHBondContact O-CB 3.5Å; A221-R225 PolarHBondContact O-N 2.95Å; A221-F235 HydrophobicContact CB-CB 4.13Å; A221-F235 HydrophobicContact CB-CD1 4.06Å; A221-F235 HydrophobicContact CB-CD2 4.13Å; A221-F235 HydrophobicContact CB-CG 3.81Å
222	R	87.6	Confident	83.7	Confident	137 Å²	137	64 Å²	64	52%	0.517	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-41.4	174.7	-179.4	176.4	63.4	-164.9	-1.5	112	R218 S219 A220 K226	R218-R222 VanDerWaalsContact O-CB 3.24Å; R218-R222 WeakPolarHBondContact O-CB 3.36Å; R218-R222 PolarHBondContact O-N 3.45Å; S219-R222 PolarHBondContact O-N 2.9Å; A220-R222 VanDerWaalsContact C-N 3.28Å; A220-R222 PolarHBondContact O-N 3.44Å; R222-K226 WeakPolarHBondContact O-CG 3.36Å; R222-K226 PolarHBondContact O-N 3.13Å
223	R	87.8	Confident	82.1	Confident	85 Å²	85	68 Å²	68	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-49.7	177.7	179	174.7	59	-150.7	-16	110.7	G51 S219 A220 R225 K226 L227	G51-R223 WeakPolarHBondContact O-CD 3.34Å; S219-R223 PolarHBondContact O-N 3.46Å; A220-R223 WeakPolarHBondContact O-CB 3.39Å; A220-R223 PolarHBondContact O-N 3.41Å; R223-R225 PolarHBondContact O-N 3.15Å; R223-K226 WeakPolarHBondContact O-CB 3.47Å; R223-K226 PolarHBondContact O-N 3.31Å; R223-K226 VanDerWaalsContact O-N 3.13Å; R223-L227 HydrophobicContact CG-CD1 4.26Å; R223-L227 PolarHBondContact O-N 3.29Å
224	L	82	Confident	80.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-41.9	-177.8	-65.4	166.8	0	0	0	112	A52 P54 A220 K226 L227 R229 F232	A52-L224 WeakPolarHBondContact O-CD2 3.14Å; P54-L224 HydrophobicContact CB-CD2 4.32Å; A220-L224 WeakPolarHBondContact O-CG 3.38Å; A220-L224 PolarHBondContact O-N 3.49Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-K226 PolarHBondContact O-N 2.96Å; L224-L227 PolarHBondContact O-N 3.48Å; L224-R229 PolarHBondContact O-N 3.38Å; L224-F232 HydrophobicContact CB-CB 4.44Å; L224-F232 HydrophobicContact CB-CD2 4.43Å; L224-F232 HydrophobicContact CB-CG 4.3Å; L224-F232 HydrophobicContact CD1-CB 4.4Å; L224-F232 HydrophobicContact CD1-CD1 3.38Å; L224-F232 HydrophobicContact CD1-CD2 3.76Å; L224-F232 HydrophobicContact CD1-CE1 3.39Å; L224-F232 HydrophobicContact CD1-CE2 3.79Å; L224-F232 HydrophobicContact CD1-CG 3.54Å; L224-F232 HydrophobicContact CD1-CZ 3.6Å; L224-F232 HydrophobicContact CD2-CE2 4.42Å; L224-F232 HydrophobicContact CG-CD2 4.46Å; L224-F232 HydrophobicContact CG-CG 4.46Å
225	R	82.5	Confident	80.1	Confident	168 Å²	168	70.7 Å²	70.7	63%	0.634	35%	0.348	S	S	*	.	H	α-helix	trans	-59.9	-38.9	173.8	-176.5	173.7	63.7	-110.8	4.5	113.2	A221 R223 L227 G228	A221-R225 WeakPolarHBondContact O-CB 3.5Å; A221-R225 PolarHBondContact O-N 2.95Å; R223-R225 PolarHBondContact O-N 3.15Å; R225-L227 PolarHBondContact O-N 3.04Å; R225-G228 PolarHBondContact O-N 2.88Å; R225-G228 VanDerWaalsContact O-N 3.15Å
226	K	82.6	Confident	79.6	Confident	170 Å²	170	73.1 Å²	73.1	74%	0.739	36%	0.358	S	S	*	.	H	α-helix	trans	-65.2	-25.2	177.6	-78.6	-176.5	175.2	-169.2	0	112.6	R222 R223 L224 G228	R222-K226 WeakPolarHBondContact O-CG 3.36Å; R222-K226 PolarHBondContact O-N 3.13Å; R223-K226 WeakPolarHBondContact O-CB 3.47Å; R223-K226 PolarHBondContact O-N 3.31Å; R223-K226 VanDerWaalsContact O-N 3.13Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-K226 PolarHBondContact O-N 2.96Å; K226-G228 VanDerWaalsContact C-N 3.27Å
227	L	78.8	Confident	79.4	Confident	66 Å²	66	76.2 Å²	76.2	35%	0.346	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.4	177.6	-63.2	169.1	0	0	0	112.7	A52 R223 L224 R225 R229	A52-L227 VanDerWaalsContact CA-CD1 3.41Å; A52-L227 HydrophobicContact CB-CD1 3.62Å; R223-L227 HydrophobicContact CG-CD1 4.26Å; R223-L227 PolarHBondContact O-N 3.29Å; L224-L227 PolarHBondContact O-N 3.48Å; R225-L227 PolarHBondContact O-N 3.04Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 2.79Å
228	G	72.4	Confident	79.5	Confident	63 Å²	63	76.3 Å²	76.3	65%	0.649	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	7.1	177.8	0	0	0	0	0	114.6	R225 K226 S230	R225-G228 PolarHBondContact O-N 2.88Å; R225-G228 VanDerWaalsContact O-N 3.15Å; K226-G228 VanDerWaalsContact C-N 3.27Å; G228-S230 PolarHBondContact O-N 3.1Å
229	R	68.6	Low	79.7	Confident	40 Å²	40	77.7 Å²	77.7	15%	0.151	39%	0.387	C	S	.	.			trans	-79	102.3	179.4	-68.4	-67.5	-68	-98.8	2.6	110.1	L224 L227 D231	L224-R229 PolarHBondContact O-N 3.38Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 2.79Å; R229-D231 WeakPolarHBondContact CA-OD1 3.46Å; R229-D231 VanDerWaalsContact CB-OD1 3.24Å; R229-D231 WeakPolarHBondContact CB-OD1 3.5Å; R229-D231 IonicContact CZ-OD1 3.98Å; R229-D231 IonicContact CZ-OD2 3.29Å; R229-D231 VanDerWaalsContact CZ-OD2 3.29Å; R229-D231 IonicContact NE-OD1 3.02Å; R229-D231 PolarHBondContact NE-OD1 3.04Å; R229-D231 IonicContact NE-OD2 3.05Å; R229-D231 PolarHBondContact NE-OD2 3.45Å; R229-D231 IonicContact NH2-OD2 2.69Å; R229-D231 PolarHBondContact NH2-OD2 2.97Å
230	S	63.7	Low	80	Confident	105 Å²	105	75.8 Å²	75.8	73%	0.734	37%	0.371	S	S	*	.			trans	-94.3	-10.1	179.8	57.1	0	0	0	0	113.5	G228 F232 D233	G228-S230 PolarHBondContact O-N 3.1Å; S230-F232 PolarHBondContact O-N 3.05Å; S230-D233 PolarHBondContact O-N 3.27Å
231	D	64.3	Low	80.2	Confident	84 Å²	84	81.3 Å²	81.3	45%	0.449	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-15	169.3	54.1	-33.2	0	0	0	113.3	R229 D233	R229-D231 WeakPolarHBondContact CA-OD1 3.46Å; R229-D231 VanDerWaalsContact CB-OD1 3.24Å; R229-D231 WeakPolarHBondContact CB-OD1 3.5Å; R229-D231 IonicContact CZ-OD1 3.98Å; R229-D231 IonicContact CZ-OD2 3.29Å; R229-D231 VanDerWaalsContact CZ-OD2 3.29Å; R229-D231 IonicContact NE-OD1 3.02Å; R229-D231 PolarHBondContact NE-OD1 3.04Å; R229-D231 IonicContact NE-OD2 3.05Å; R229-D231 PolarHBondContact NE-OD2 3.45Å; R229-D231 IonicContact NH2-OD2 2.69Å; R229-D231 PolarHBondContact NH2-OD2 2.97Å; D231-D233 VanDerWaalsContact C-N 3.34Å; D231-D233 PolarHBondContact O-N 2.98Å
232	F	61.6	Low	80.5	Confident	16 Å²	16	82.7 Å²	82.7	7%	0.07	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	26.5	175.2	-93.2	-91.5	0	0	0	115.3	P54 L186 N187 L224 S230 H234	P54-F232 HydrophobicContact CB-CE2 3.58Å; P54-F232 HydrophobicContact CB-CZ 3.91Å; P54-F232 WeakPolarHBondContact O-CZ 3.24Å; L186-F232 HydrophobicContact CB-CD1 4.13Å; L186-F232 HydrophobicContact CB-CE1 3.79Å; N187-F232 WeakPolarHBondContact ND2-CZ 3.43Å; N187-F232 WeakPolarHBondContact OD1-CZ 3.32Å; L224-F232 HydrophobicContact CB-CB 4.44Å; L224-F232 HydrophobicContact CB-CD2 4.43Å; L224-F232 HydrophobicContact CB-CG 4.3Å; L224-F232 HydrophobicContact CD1-CB 4.4Å; L224-F232 HydrophobicContact CD1-CD1 3.38Å; L224-F232 HydrophobicContact CD1-CD2 3.76Å; L224-F232 HydrophobicContact CD1-CE1 3.39Å; L224-F232 HydrophobicContact CD1-CE2 3.79Å; L224-F232 HydrophobicContact CD1-CG 3.54Å; L224-F232 HydrophobicContact CD1-CZ 3.6Å; L224-F232 HydrophobicContact CD2-CE2 4.42Å; L224-F232 HydrophobicContact CG-CD2 4.46Å; L224-F232 HydrophobicContact CG-CG 4.46Å; S230-F232 PolarHBondContact O-N 3.05Å; F232-H234 PolarHBondContact O-N 2.8Å
233	D	63.2	Low	80.9	Confident	88 Å²	88	79.5 Å²	79.5	47%	0.471	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.1	-175.7	-139	20.5	0	0	0	114.1	S230 D231 F235 K236	S230-D233 PolarHBondContact O-N 3.27Å; D231-D233 VanDerWaalsContact C-N 3.34Å; D231-D233 PolarHBondContact O-N 2.98Å; D233-F235 PolarHBondContact O-N 3.26Å; D233-F235 VanDerWaalsContact O-N 3.13Å; D233-K236 PolarHBondContact O-N 2.83Å; D233-K236 VanDerWaalsContact O-N 3.14Å; D233-K236 VanDerWaalsContact OD1-CD 3.31Å; D233-K236 WeakPolarHBondContact OD1-CD 3.27Å; D233-K236 WeakPolarHBondContact OD1-CE 3.45Å; D233-K236 IonicContact OD1-NZ 3.23Å; D233-K236 PolarHBondContact OD1-NZ 3.13Å; D233-K236 IonicContact OD2-NZ 3.41Å; D233-K236 PolarHBondContact OD2-NZ 3.25Å
234	H	65.7	Low	81.4	Confident	72 Å²	72	75.5 Å²	75.5	33%	0.333	39%	0.385	S	S	.	.	H	α-helix	trans	-55.3	-30.8	174.6	-68.7	108.6	0	0	0	112.9	L186 N187 F232 K236 T237 L238	L186-H234 WeakPolarHBondContact O-CB 3.33Å; N187-H234 PolarHBondContact O-CE1 2.9Å; N187-H234 VanDerWaalsContact O-CE1 3.3Å; N187-H234 PolarHBondContact O-ND1 3.11Å; F232-H234 PolarHBondContact O-N 2.8Å; H234-K236 PolarHBondContact O-N 3.36Å; H234-T237 WeakPolarHBondContact CA-OG1 3.34Å; H234-T237 CarbonylContact O-C 3.59Å; H234-T237 WeakPolarHBondContact O-CA 3.36Å; H234-T237 PolarHBondContact O-N 3.3Å; H234-T237 PolarHBondContact O-OG1 3.07Å; H234-L238 HydrophobicContact CB-CD2 4.27Å; H234-L238 VanDerWaalsContact O-CG 3.26Å; H234-L238 WeakPolarHBondContact O-CG 3.44Å; H234-L238 PolarHBondContact O-N 3.18Å
235	F	81.1	Confident	82.1	Confident	50 Å²	50	76 Å²	76	22%	0.219	39%	0.39	C	S	.	.	H	α-helix	trans	-53.7	-32.5	179.6	-177.3	-104	0	0	0	112.8	L186 W214 R218 A221 D233 L238	L186-F235 HydrophobicContact CD2-CB 4.21Å; L186-F235 HydrophobicContact CD2-CD2 3.85Å; L186-F235 HydrophobicContact CD2-CG 4.48Å; W214-F235 AromaticContact CE2-CE2 3.99Å; W214-F235 HydrophobicContact CH2-CD2 4.44Å; W214-F235 AromaticContact CH2-CE2 3.94Å; W214-F235 HydrophobicContact CH2-CE2 3.94Å; W214-F235 HydrophobicContact CZ2-CD2 4.35Å; W214-F235 AromaticContact CZ2-CE2 3.51Å; W214-F235 HydrophobicContact CZ2-CE2 3.51Å; W214-F235 AromaticContact CZ2-CZ 3.94Å; W214-F235 HydrophobicContact CZ2-CZ 3.94Å; R218-F235 HydrophobicContact CG-CZ 3.89Å; A221-F235 HydrophobicContact CB-CB 4.13Å; A221-F235 HydrophobicContact CB-CD1 4.06Å; A221-F235 HydrophobicContact CB-CD2 4.13Å; A221-F235 HydrophobicContact CB-CG 3.81Å; D233-F235 PolarHBondContact O-N 3.26Å; D233-F235 VanDerWaalsContact O-N 3.13Å; F235-L238 HydrophobicContact CD2-CD1 4.45Å
236	K	83.6	Confident	82.8	Confident	143 Å²	143	74 Å²	74	62%	0.622	39%	0.388	S	S	*	.	H	α-helix	trans	-76	-25.4	177.2	-63.8	178.9	-169.7	148.1	0	113.1	D233 H234 R241	D233-K236 PolarHBondContact O-N 2.83Å; D233-K236 VanDerWaalsContact O-N 3.14Å; D233-K236 VanDerWaalsContact OD1-CD 3.31Å; D233-K236 WeakPolarHBondContact OD1-CD 3.27Å; D233-K236 WeakPolarHBondContact OD1-CE 3.45Å; D233-K236 IonicContact OD1-NZ 3.23Å; D233-K236 PolarHBondContact OD1-NZ 3.13Å; D233-K236 IonicContact OD2-NZ 3.41Å; D233-K236 PolarHBondContact OD2-NZ 3.25Å; H234-K236 PolarHBondContact O-N 3.36Å; K236-R241 PolarHBondContact O-NH2 3.41Å
237	T	89	Confident	83.6	Confident	90 Å²	90	69 Å²	69	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-99.9	-16.2	-173.7	64.1	0	0	0	0	113.8	H234 K239	H234-T237 WeakPolarHBondContact CA-OG1 3.34Å; H234-T237 CarbonylContact O-C 3.59Å; H234-T237 WeakPolarHBondContact O-CA 3.36Å; H234-T237 PolarHBondContact O-N 3.3Å; H234-T237 PolarHBondContact O-OG1 3.07Å; T237-K239 PolarHBondContact O-N 3.36Å
238	L	93.9	Very high	84.5	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.35	C	S	.	.			trans	-51.3	134.6	177.4	-59.3	-172	0	0	0	110.8	L186 W214 Y217 H234 F235 R241	L186-L238 HydrophobicContact CD2-CD1 4.34Å; W214-L238 HydrophobicContact CH2-CB 4.23Å; W214-L238 HydrophobicContact CH2-CD1 3.77Å; W214-L238 HydrophobicContact CZ3-CD1 4.16Å; Y217-L238 HydrophobicContact CD1-CD1 4.17Å; Y217-L238 HydrophobicContact CE1-CD1 4.18Å; H234-L238 HydrophobicContact CB-CD2 4.27Å; H234-L238 VanDerWaalsContact O-CG 3.26Å; H234-L238 WeakPolarHBondContact O-CG 3.44Å; H234-L238 PolarHBondContact O-N 3.18Å; F235-L238 HydrophobicContact CD2-CD1 4.45Å; L238-R241 PolarHBondContact O-NE 2.82Å; L238-R241 PolarHBondContact O-NH2 2.83Å
239	K	96.3	Very high	85.8	Confident	181 Å²	181	63.9 Å²	63.9	79%	0.787	33%	0.325	S	S	*	.			trans	-100.6	-31.3	173.3	-60.5	174.4	-175.9	172.4	0	110.9	D190 T237 R241	D190-K239 VanDerWaalsContact CG-N 3.3Å; D190-K239 PolarHBondContact OD1-N 3.27Å; D190-K239 VanDerWaalsContact OD2-CB 3.24Å; D190-K239 WeakPolarHBondContact OD2-CB 3.48Å; D190-K239 WeakPolarHBondContact OD2-CG 3.49Å; D190-K239 PolarHBondContact OD2-N 2.82Å; T237-K239 PolarHBondContact O-N 3.36Å; K239-R241 PolarHBondContact O-N 3.13Å
240	I	96.9	Very high	87.2	Confident	20 Å²	20	65.5 Å²	65.5	10%	0.103	34%	0.335	C	S	.	.			trans	-74.2	107.2	172.1	-61.2	172.2	0	0	0	107.2	H185 D190 L193 L194 W214 H247	H185-I240 PolarHBondContact CE1-O 2.73Å; H185-I240 VanDerWaalsContact CE1-O 3.23Å; D190-I240 HydrophobicContact CB-CD1 3.89Å; D190-I240 HydrophobicContact CB-CG1 4.23Å; D190-I240 WeakPolarHBondContact OD1-CB 3.23Å; D190-I240 PolarHBondContact OD1-N 2.79Å; L193-I240 HydrophobicContact CD2-CD1 4.15Å; L193-I240 HydrophobicContact CD2-CG2 4.08Å; L194-I240 HydrophobicContact CD1-CD1 4.33Å; L194-I240 HydrophobicContact CD2-CD1 3.86Å; L194-I240 HydrophobicContact CG-CD1 4.05Å; W214-I240 WeakPolarHBondContact CZ3-O 3.34Å; I240-H247 HydrophobicContact CG2-CB 3.72Å
241	R	95.3	Very high	88.9	Confident	119 Å²	119	61.5 Å²	61.5	45%	0.449	30%	0.304	S	S	.	.			trans	-141	161	-176.6	-52.2	-170.6	178.6	176.6	2.5	110.1	W214 K236 L238 K239 H247	W214-R241 HydrophobicContact CD2-CB 4.36Å; W214-R241 HydrophobicContact CE3-CB 4.43Å; W214-R241 HydrophobicContact CH2-CB 3.84Å; W214-R241 HydrophobicContact CH2-CG 3.53Å; W214-R241 HydrophobicContact CZ2-CB 3.74Å; W214-R241 HydrophobicContact CZ2-CG 3.57Å; W214-R241 HydrophobicContact CZ3-CB 4.19Å; W214-R241 HydrophobicContact CZ3-CG 4.26Å; K236-R241 PolarHBondContact O-NH2 3.41Å; L238-R241 PolarHBondContact O-NE 2.82Å; L238-R241 PolarHBondContact O-NH2 2.83Å; K239-R241 PolarHBondContact O-N 3.13Å; R241-H247 PolarHBondContact O-NE2 3.4Å
242	G	94.9	Very high	90.5	Very high	39 Å²	39	57.5 Å²	57.5	40%	0.402	28%	0.283	S	S	.	.	S	Bend	trans	84.8	-117	177.4	0	0	0	0	0	111.9	W214 V244	W214-G242 WeakPolarHBondContact CB-O 3.29Å; G242-V244 PolarHBondContact O-N 3.14Å; G242-V244 VanDerWaalsContact O-N 3.08Å
243	D	95.8	Very high	92.3	Very high	69 Å²	69	59.9 Å²	59.9	37%	0.369	29%	0.294	S	S	.	.			trans	-82.1	84.7	178.6	-162.6	-24.4	0	0	0	110.5	A245 E246 H247	D243-A245 PolarHBondContact O-N 2.95Å; D243-A245 WeakPolarHBondContact OD1-CB 3.49Å; D243-A245 PolarHBondContact OD1-N 3.4Å; D243-A245 VanDerWaalsContact OD1-N 3.1Å; D243-E246 HydrophobicContact CB-CB 3.84Å; D243-E246 WeakPolarHBondContact O-CB 3.42Å; D243-E246 PolarHBondContact O-N 3.23Å; D243-E246 PolarHBondContact OD1-N 3.15Å; D243-H247 PolarHBondContact O-CD2 2.85Å; D243-H247 VanDerWaalsContact O-CD2 3.23Å; D243-H247 PolarHBondContact O-N 3.02Å; D243-H247 VanDerWaalsContact O-N 3.12Å
244	V	96.6	Very high	93.9	Very high	1 Å²	1	64 Å²	64	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-29	178.2	-179.2	0	0	0	0	111.5	L193 W214 Y217 G242 H247 A248	L193-V244 HydrophobicContact CD2-CG1 4.08Å; W214-V244 HydrophobicContact CE3-CG2 3.94Å; W214-V244 HydrophobicContact CZ3-CG2 4.34Å; Y217-V244 HydrophobicContact CE2-CG2 3.91Å; G242-V244 PolarHBondContact O-N 3.14Å; G242-V244 VanDerWaalsContact O-N 3.08Å; V244-H247 PolarHBondContact O-N 3.13Å; V244-A248 WeakPolarHBondContact O-CB 3.49Å; V244-A248 PolarHBondContact O-N 2.91Å
245	A	97.3	Very high	95.5	Very high	11 Å²	11	67 Å²	67	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-40	177.1	0	0	0	0	0	110.8	A211 D243 A248 T249 L274	A211-A245 HydrophobicContact CB-CB 4Å; D243-A245 PolarHBondContact O-N 2.95Å; D243-A245 WeakPolarHBondContact OD1-CB 3.49Å; D243-A245 PolarHBondContact OD1-N 3.4Å; D243-A245 VanDerWaalsContact OD1-N 3.1Å; A245-A248 PolarHBondContact O-N 3.28Å; A245-T249 WeakPolarHBondContact O-CB 3.48Å; A245-T249 PolarHBondContact O-N 3.37Å; A245-T249 PolarHBondContact O-OG1 3.17Å; A245-L274 HydrophobicContact CB-CD1 4.17Å
246	E	97.9	Very high	96.3	Very high	127 Å²	127	65.8 Å²	65.8	59%	0.593	32%	0.315	S	S	*	.	H	α-helix	trans	-62.7	-47.9	173.4	-174.3	174.5	-160	0	0	111.6	D243 A248 T249 E250	D243-E246 HydrophobicContact CB-CB 3.84Å; D243-E246 WeakPolarHBondContact O-CB 3.42Å; D243-E246 PolarHBondContact O-N 3.23Å; D243-E246 PolarHBondContact OD1-N 3.15Å; E246-A248 VanDerWaalsContact C-N 3.34Å; E246-A248 PolarHBondContact O-N 3.14Å; E246-T249 WeakPolarHBondContact O-CB 3.24Å; E246-T249 PolarHBondContact O-N 2.68Å; E246-E250 PolarHBondContact O-N 3.16Å
247	H	98.4	Very high	97	Very high	65 Å²	65	60.6 Å²	60.6	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-40.3	176.4	-73.3	-61.2	0	0	0	113.2	I240 R241 D243 V244 E250 H251	I240-H247 HydrophobicContact CG2-CB 3.72Å; R241-H247 PolarHBondContact O-NE2 3.4Å; D243-H247 PolarHBondContact O-CD2 2.85Å; D243-H247 VanDerWaalsContact O-CD2 3.23Å; D243-H247 PolarHBondContact O-N 3.02Å; D243-H247 VanDerWaalsContact O-N 3.12Å; V244-H247 PolarHBondContact O-N 3.13Å; H247-E250 PolarHBondContact O-N 3.35Å; H247-H251 PolarHBondContact O-N 2.98Å
248	A	98.5	Very high	97.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-41.6	175.8	0	0	0	0	0	111.5	L197 L209 V244 A245 E246 H251 L252	L197-A248 HydrophobicContact CD1-CB 3.69Å; L197-A248 HydrophobicContact CD2-CB 4.31Å; L209-A248 HydrophobicContact CD2-CB 3.81Å; V244-A248 WeakPolarHBondContact O-CB 3.49Å; V244-A248 PolarHBondContact O-N 2.91Å; A245-A248 PolarHBondContact O-N 3.28Å; E246-A248 VanDerWaalsContact C-N 3.34Å; E246-A248 PolarHBondContact O-N 3.14Å; A248-H251 PolarHBondContact O-N 3.3Å; A248-L252 WeakPolarHBondContact O-CB 3.23Å; A248-L252 VanDerWaalsContact O-CG 3.25Å; A248-L252 WeakPolarHBondContact O-CG 3.35Å; A248-L252 PolarHBondContact O-N 3.28Å
249	T	98.7	Very high	97.7	Very high	20 Å²	20	59.9 Å²	59.9	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-49.7	175	-57.2	0	0	0	0	110.4	A245 E246 H251 L252 E253 L260 F276	A245-T249 WeakPolarHBondContact O-CB 3.48Å; A245-T249 PolarHBondContact O-N 3.37Å; A245-T249 PolarHBondContact O-OG1 3.17Å; E246-T249 WeakPolarHBondContact O-CB 3.24Å; E246-T249 PolarHBondContact O-N 2.68Å; T249-H251 VanDerWaalsContact C-N 3.34Å; T249-H251 PolarHBondContact O-N 2.82Å; T249-L252 PolarHBondContact O-N 3.48Å; T249-E253 HydrophobicContact CG2-CG 4.46Å; T249-E253 WeakPolarHBondContact O-CG 3.33Å; T249-E253 PolarHBondContact O-N 3.13Å; T249-L260 HydrophobicContact CG2-CD2 4.19Å; T249-F276 HydrophobicContact CG2-CE1 3.9Å; T249-F276 HydrophobicContact CG2-CZ 4.06Å
250	E	98.6	Very high	97.8	Very high	74 Å²	74	54.1 Å²	54.1	35%	0.346	27%	0.269	S	S	.	.	H	α-helix	trans	-57.2	-46.4	178.7	-175.8	-174.4	163.6	0	0	111.8	E246 H247 E253 R254	E246-E250 PolarHBondContact O-N 3.16Å; H247-E250 PolarHBondContact O-N 3.35Å; E250-E253 PolarHBondContact O-N 3.47Å; E250-R254 VanDerWaalsContact CD-NH1 3.26Å; E250-R254 HydrophobicContact CG-CG 4.36Å; E250-R254 VanDerWaalsContact O-CB 3.27Å; E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 WeakPolarHBondContact O-CG 3.26Å; E250-R254 PolarHBondContact O-N 2.85Å; E250-R254 IonicContact OE1-CZ 3.79Å; E250-R254 IonicContact OE1-NH1 2.84Å; E250-R254 PolarHBondContact OE1-NH1 3.24Å
251	H	98.8	Very high	97.9	Very high	22 Å²	22	55.9 Å²	55.9	10%	0.102	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-47.6	179.1	-178.6	72.6	0	0	0	112.1	L194 S198 H247 A248 T249 E253 R254 H255 C256	L194-H251 HydrophobicContact CD2-CB 3.9Å; L194-H251 PolarHBondContact O-NE2 3.06Å; S198-H251 PolarHBondContact OG-NE2 3.44Å; H247-H251 PolarHBondContact O-N 2.98Å; A248-H251 PolarHBondContact O-N 3.3Å; T249-H251 VanDerWaalsContact C-N 3.34Å; T249-H251 PolarHBondContact O-N 2.82Å; H251-E253 VanDerWaalsContact C-N 3.31Å; H251-E253 PolarHBondContact O-N 3.3Å; H251-R254 PolarHBondContact O-N 2.76Å; H251-H255 AromaticContact ND1-CD2 3.5Å; H251-H255 AromaticContact ND1-CG 3.98Å; H251-H255 WeakPolarHBondContact O-CA 3.45Å; H251-H255 WeakPolarHBondContact O-CB 3.46Å; H251-H255 PolarHBondContact O-N 3.01Å; H251-C256 VanDerWaalsContact CD2-SG 3.51Å; H251-C256 PolarHBondContact NE2-SG 3.22Å; H251-C256 VanDerWaalsContact NE2-SG 3.39Å; H251-C256 PolarHBondContact O-N 2.93Å
252	L	98.8	Very high	98	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-42.6	179.2	-74	169.8	0	0	0	111.7	L197 A201 L207 L209 A248 T249 C256 G257 M258 F276	L197-L252 HydrophobicContact CB-CD2 4.08Å; L197-L252 HydrophobicContact CB-CG 4.48Å; L197-L252 HydrophobicContact CD2-CD1 4.25Å; L197-L252 HydrophobicContact CD2-CD2 4.43Å; L197-L252 HydrophobicContact CD2-CG 4.4Å; A201-L252 HydrophobicContact CB-CD2 4.05Å; L207-L252 HydrophobicContact CD2-CD1 3.96Å; L207-L252 HydrophobicContact CD2-CD2 3.92Å; L209-L252 HydrophobicContact CD2-CD1 4.16Å; A248-L252 WeakPolarHBondContact O-CB 3.23Å; A248-L252 VanDerWaalsContact O-CG 3.25Å; A248-L252 WeakPolarHBondContact O-CG 3.35Å; A248-L252 PolarHBondContact O-N 3.28Å; T249-L252 PolarHBondContact O-N 3.48Å; L252-C256 HydrophobicContact CD2-CB 4.24Å; L252-C256 CarbonylContact O-C 3.52Å; L252-C256 WeakPolarHBondContact O-CB 3.22Å; L252-C256 PolarHBondContact O-N 2.94Å; L252-G257 PolarHBondContact O-N 2.97Å; L252-M258 HydrophobicContact CB-CB 4.14Å; L252-M258 HydrophobicContact CB-CG 4.49Å; L252-M258 HydrophobicContact CD2-CG 4.22Å; L252-M258 WeakPolarHBondContact O-CB 3.32Å; L252-M258 PolarHBondContact O-N 3.21Å; L252-F276 HydrophobicContact CB-CD1 4.18Å; L252-F276 HydrophobicContact CB-CE1 4.11Å; L252-F276 HydrophobicContact CD1-CD1 4Å; L252-F276 HydrophobicContact CD1-CD2 3.85Å; L252-F276 HydrophobicContact CD1-CE1 3.84Å; L252-F276 HydrophobicContact CD1-CE2 3.71Å; L252-F276 HydrophobicContact CD1-CG 4Å; L252-F276 HydrophobicContact CD1-CZ 3.71Å
253	E	98.6	Very high	98.2	Very high	66 Å²	66	57.5 Å²	57.5	31%	0.308	28%	0.282	S	S	.	.	H	α-helix	trans	-76.7	-39.1	-178.1	-68.1	-171.5	140.8	0	0	113.9	T249 E250 H251 M258 L260	T249-E253 HydrophobicContact CG2-CG 4.46Å; T249-E253 WeakPolarHBondContact O-CG 3.33Å; T249-E253 PolarHBondContact O-N 3.13Å; E250-E253 PolarHBondContact O-N 3.47Å; H251-E253 VanDerWaalsContact C-N 3.31Å; H251-E253 PolarHBondContact O-N 3.3Å; E253-M258 WeakPolarHBondContact CA-O 3.48Å; E253-L260 PolarHBondContact OE1-N 3.4Å
254	R	98.4	Very high	98.2	Very high	175 Å²	175	55.4 Å²	55.4	66%	0.66	27%	0.27	S	S	*	.	H	α-helix	trans	-88.1	-28.9	-174.9	-65.4	-174.7	-179.3	166.1	2.2	113.6	E250 H251	E250-R254 VanDerWaalsContact CD-NH1 3.26Å; E250-R254 HydrophobicContact CG-CG 4.36Å; E250-R254 VanDerWaalsContact O-CB 3.27Å; E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 WeakPolarHBondContact O-CG 3.26Å; E250-R254 PolarHBondContact O-N 2.85Å; E250-R254 IonicContact OE1-CZ 3.79Å; E250-R254 IonicContact OE1-NH1 2.84Å; E250-R254 PolarHBondContact OE1-NH1 3.24Å; H251-R254 PolarHBondContact O-N 2.76Å
255	H	98.4	Very high	98	Very high	133 Å²	133	56.9 Å²	56.9	62%	0.616	29%	0.286	S	S	*	.	H	α-helix	trans	-123.2	-21.2	-169	-57.4	-57.7	0	0	0	114.2	H251	H251-H255 AromaticContact ND1-CD2 3.5Å; H251-H255 AromaticContact ND1-CG 3.98Å; H251-H255 WeakPolarHBondContact O-CA 3.45Å; H251-H255 WeakPolarHBondContact O-CB 3.46Å; H251-H255 PolarHBondContact O-N 3.01Å
256	C	98.6	Very high	97.8	Very high	26 Å²	26	58.7 Å²	58.7	18%	0.176	30%	0.298	C	S	.	.	S	Bend	trans	-109.9	1.5	-176	-51	0	0	0	0	114.2	A201 H251 L252 M258	A201-C256 HydrophobicContact CB-CB 3.56Å; H251-C256 VanDerWaalsContact CD2-SG 3.51Å; H251-C256 PolarHBondContact NE2-SG 3.22Å; H251-C256 VanDerWaalsContact NE2-SG 3.39Å; H251-C256 PolarHBondContact O-N 2.93Å; L252-C256 HydrophobicContact CD2-CB 4.24Å; L252-C256 CarbonylContact O-C 3.52Å; L252-C256 WeakPolarHBondContact O-CB 3.22Å; L252-C256 PolarHBondContact O-N 2.94Å; C256-M258 VanDerWaalsContact C-N 3.27Å; C256-M258 HydrophobicContact CB-CG 4.25Å; C256-M258 PolarHBondContact O-N 3.3Å
257	G	98.3	Very high	97.2	Very high	34 Å²	34	53.2 Å²	53.2	35%	0.351	27%	0.273	S	S	.	.			trans	66.9	28	179.5	0	0	0	0	0	113.5	L252 R279	L252-G257 PolarHBondContact O-N 2.97Å; G257-R279 WeakPolarHBondContact O-CB 3.39Å; G257-R279 WeakPolarHBondContact O-CG 3.43Å; G257-R279 PolarHBondContact O-N 2.92Å
258	M	98.7	Very high	96.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	165.5	175.5	-58.9	-70	-85.3	0	0	111	A201 L207 L252 E253 C256 F276 R277 R278 R279	A201-M258 HydrophobicContact CB-CG 3.72Å; A201-M258 HydrophobicContact CB-SD 4.02Å; L207-M258 HydrophobicContact CB-CE 3.77Å; L252-M258 HydrophobicContact CB-CB 4.14Å; L252-M258 HydrophobicContact CB-CG 4.49Å; L252-M258 HydrophobicContact CD2-CG 4.22Å; L252-M258 WeakPolarHBondContact O-CB 3.32Å; L252-M258 PolarHBondContact O-N 3.21Å; E253-M258 WeakPolarHBondContact CA-O 3.48Å; C256-M258 VanDerWaalsContact C-N 3.27Å; C256-M258 HydrophobicContact CB-CG 4.25Å; C256-M258 PolarHBondContact O-N 3.3Å; M258-F276 HydrophobicContact CB-CB 4.25Å; M258-F276 HydrophobicContact CB-CD1 4.42Å; M258-F276 HydrophobicContact CE-CB 3.79Å; M258-R277 CarbonylContact C-O 3.54Å; M258-R277 VanDerWaalsContact CA-O 3.31Å; M258-R277 WeakPolarHBondContact CA-O 3.31Å; M258-R278 VanDerWaalsContact SD-CA 3.53Å; M258-R278 HydrophobicContact SD-CB 3.84Å; M258-R278 HydrophobicContact SD-CG 4.45Å; M258-R279 PolarHBondContact O-NE 3.48Å; M258-R279 VanDerWaalsContact O-NE 3.1Å; M258-R279 PolarHBondContact O-NH2 3.27Å
259	E	98.6	Very high	95.3	Very high	76 Å²	76	58.6 Å²	58.6	36%	0.355	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.4	174.4	177.7	-174.8	-150.9	0	0	108.4	I261 F276 R277 R279	E259-I261 HydrophobicContact CB-CG2 4.47Å; E259-I261 HydrophobicContact CG-CG2 4.14Å; E259-I261 PolarHBondContact O-N 3.39Å; E259-F276 CarbonylContact O-C 3.58Å; E259-F276 WeakPolarHBondContact O-CA 2.98Å; E259-R277 PolarHBondContact N-O 3.33Å; E259-R277 PolarHBondContact O-N 3.09Å; E259-R277 IonicContact OE2-CZ 3.49Å; E259-R277 IonicContact OE2-NE 3.52Å; E259-R277 IonicContact OE2-NH2 2.8Å; E259-R277 PolarHBondContact OE2-NH2 2.68Å; E259-R279 HydrophobicContact CB-CG 4.22Å
260	L	98.6	Very high	94.6	Very high	59 Å²	59	62.5 Å²	62.5	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	108.8	170.4	178.3	64.6	0	0	0	109.5	T249 E253 R262 L274 F276	T249-L260 HydrophobicContact CG2-CD2 4.19Å; E253-L260 PolarHBondContact OE1-N 3.4Å; L260-R262 WeakPolarHBondContact CD1-O 3.46Å; L260-L274 HydrophobicContact CD1-CB 3.88Å; L260-L274 HydrophobicContact CD1-CD2 4.21Å; L260-F276 HydrophobicContact CB-CD1 4Å; L260-F276 HydrophobicContact CB-CE1 3.79Å; L260-F276 HydrophobicContact CB-CZ 4.47Å; L260-F276 HydrophobicContact CD1-CD1 4.33Å; L260-F276 HydrophobicContact CD1-CD2 4.46Å; L260-F276 HydrophobicContact CD1-CE1 4.02Å; L260-F276 HydrophobicContact CD1-CE2 4.15Å; L260-F276 HydrophobicContact CD1-CZ 3.91Å; L260-F276 HydrophobicContact CG-CE1 4.44Å
261	I	98.3	Very high	94.2	Very high	57 Å²	57	59.7 Å²	59.7	29%	0.292	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-20.8	-177.2	58.9	160.5	0	0	0	113.3	L82 E259 L275 R277	L82-I261 HydrophobicContact CD2-CD1 4.07Å; E259-I261 HydrophobicContact CB-CG2 4.47Å; E259-I261 HydrophobicContact CG-CG2 4.14Å; E259-I261 PolarHBondContact O-N 3.39Å; I261-L275 HydrophobicContact CD1-CD2 3.83Å; I261-L275 HydrophobicContact CD1-CG 3.98Å; I261-L275 HydrophobicContact CG1-CB 4.4Å; I261-L275 HydrophobicContact CG1-CD2 4.11Å; I261-L275 HydrophobicContact CG1-CG 3.9Å; I261-L275 VanDerWaalsContact CG1-O 3.28Å; I261-L275 WeakPolarHBondContact CG1-O 3.31Å; I261-L275 PolarHBondContact N-O 3.18Å; I261-R277 HydrophobicContact CD1-CB 3.95Å; I261-R277 HydrophobicContact CG1-CB 4.21Å; I261-R277 HydrophobicContact CG2-CB 3.76Å
262	R	97.9	Very high	94	Very high	127 Å²	127	62.9 Å²	62.9	48%	0.479	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	147.6	179.2	-164.8	165.9	-71.8	-144.5	6.5	112.7	L260 F264 L275	L260-R262 WeakPolarHBondContact CD1-O 3.46Å; R262-F264 HydrophobicContact CB-CZ 4.4Å; R262-F264 HydrophobicContact CG-CD1 4.15Å; R262-F264 HydrophobicContact CG-CE1 3.85Å; R262-F264 HydrophobicContact CG-CZ 4.08Å; R262-L275 HydrophobicContact CB-CB 4.13Å; R262-L275 HydrophobicContact CB-CD2 4.29Å; R262-L275 PolarHBondContact N-O 3.15Å; R262-L275 PolarHBondContact O-N 3.33Å
263	S	97.5	Very high	94	Very high	65 Å²	65	62.9 Å²	62.9	46%	0.455	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.6	161.2	-179.4	0	0	0	0	109	G265 L273	S263-G265 VanDerWaalsContact C-N 3.27Å; S263-G265 PolarHBondContact O-N 3.24Å; S263-L273 WeakPolarHBondContact CA-O 3.36Å
264	F	96	Very high	94	Very high	25 Å²	25	60.2 Å²	60.2	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	14.1	179.9	-61.2	-71	0	0	0	113.1	L73 P75 L78 L208 R262 L273 L275	L73-F264 HydrophobicContact CB-CB 4.18Å; L73-F264 WeakPolarHBondContact O-CB 3.43Å; P75-F264 HydrophobicContact CG-CD1 4.08Å; P75-F264 HydrophobicContact CG-CE1 3.56Å; P75-F264 HydrophobicContact CG-CZ 4.41Å; L78-F264 HydrophobicContact CD1-CZ 3.89Å; L208-F264 HydrophobicContact CD1-CD2 3.89Å; L208-F264 HydrophobicContact CD1-CE2 3.8Å; R262-F264 HydrophobicContact CB-CZ 4.4Å; R262-F264 HydrophobicContact CG-CD1 4.15Å; R262-F264 HydrophobicContact CG-CE1 3.85Å; R262-F264 HydrophobicContact CG-CZ 4.08Å; F264-L273 HydrophobicContact CB-CB 4.01Å; F264-L273 HydrophobicContact CD2-CB 4.26Å; F264-L273 PolarHBondContact N-O 3.02Å; F264-L275 HydrophobicContact CE2-CB 3.78Å; F264-L275 HydrophobicContact CE2-CD2 3.96Å; F264-L275 HydrophobicContact CE2-CG 4.42Å; F264-L275 HydrophobicContact CZ-CB 4.41Å; F264-L275 HydrophobicContact CZ-CD2 3.84Å
265	G	93.3	Very high	94	Very high	32 Å²	32	52 Å²	52	33%	0.33	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.9	-165.7	-175.6	0	0	0	0	0	113.1	S263 K272 L273	S263-G265 VanDerWaalsContact C-N 3.27Å; S263-G265 PolarHBondContact O-N 3.24Å; G265-K272 WeakPolarHBondContact O-CA 3.37Å; G265-L273 PolarHBondContact O-N 3.31Å
266	S	92.4	Very high	94	Very high	50 Å²	50	45.7 Å²	45.7	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.8	-175.8	-66.6	0	0	0	0	111.8	R271	S266-R271 CarbonylContact C-O 3.58Å; S266-R271 VanDerWaalsContact CA-O 3.27Å; S266-R271 WeakPolarHBondContact CA-O 3.08Å
267	T	85.8	Confident	94	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	27%	0.27	C	S	.	.			trans	-65.7	169.4	166.4	68	0	0	0	0	111	L73 W269 D270 R271	L73-T267 HydrophobicContact CD1-CG2 3.93Å; T267-W269 PolarHBondContact O-N 3.06Å; T267-W269 PolarHBondContact OG1-N 2.69Å; T267-D270 PolarHBondContact O-N 3.34Å; T267-R271 PolarHBondContact N-O 3.38Å; T267-R271 WeakPolarHBondContact OG1-CB 3.38Å; T267-R271 PolarHBondContact OG1-N 3.05Å
268	A	78.6	Confident	94	Very high	94 Å²	94	54.2 Å²	54.2	78%	0.777	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-17.8	174.3	0	0	0	0	0	114	D270	A268-D270 VanDerWaalsContact C-N 3.33Å
269	W	79.3	Confident	93.8	Very high	85 Å²	85	64.2 Å²	64.2	32%	0.322	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	8	177.1	-67.9	-1	0	0	0	113.9	F64 N65 K215 T267 R271	F64-W269 AromaticContact CD2-CH2 3.82Å; F64-W269 HydrophobicContact CD2-CH2 3.82Å; F64-W269 HydrophobicContact CD2-CZ2 4.42Å; F64-W269 HydrophobicContact CE2-CH2 4.14Å; F64-W269 WeakPolarHBondContact O-CZ2 3.28Å; N65-W269 HydrophobicContact CB-CH2 3.49Å; N65-W269 VanDerWaalsContact CB-CH2 3.49Å; N65-W269 HydrophobicContact CB-CZ2 4.03Å; N65-W269 HydrophobicContact CB-CZ3 3.88Å; N65-W269 VanDerWaalsContact CG-CZ3 3.46Å; N65-W269 WeakPolarHBondContact ND2-CZ3 3.36Å; K215-W269 WeakPolarHBondContact CE-O 3.46Å; K215-W269 PolarHBondContact NZ-O 3.36Å; T267-W269 PolarHBondContact O-N 3.06Å; T267-W269 PolarHBondContact OG1-N 2.69Å; W269-R271 HydrophobicContact CB-CG 4.14Å; W269-R271 VanDerWaalsContact CE3-CZ 3.43Å
270	D	84.1	Confident	93.5	Very high	102 Å²	102	63.6 Å²	63.6	55%	0.545	31%	0.312	S	S	.	.	S	Bend	trans	62.4	47.4	-176.1	-168.3	35.1	0	0	0	111.7	T267 A268	T267-D270 PolarHBondContact O-N 3.34Å; A268-D270 VanDerWaalsContact C-N 3.33Å
271	R	89.6	Confident	93.2	Very high	15 Å²	15	63.8 Å²	63.8	6%	0.057	31%	0.312	C	S	.	.			trans	-114	118	176	-53	-175.5	175.7	174.9	-0.3	109.4	E210 S266 T267 W269	E210-R271 HydrophobicContact CG-CB 3.83Å; E210-R271 WeakPolarHBondContact OE1-CD 3.18Å; E210-R271 IonicContact OE1-CZ 2.88Å; E210-R271 IonicContact OE1-NE 3.9Å; E210-R271 IonicContact OE1-NH1 3.14Å; E210-R271 PolarHBondContact OE1-NH1 2.65Å; S266-R271 CarbonylContact C-O 3.58Å; S266-R271 VanDerWaalsContact CA-O 3.27Å; S266-R271 WeakPolarHBondContact CA-O 3.08Å; T267-R271 PolarHBondContact N-O 3.38Å; T267-R271 WeakPolarHBondContact OG1-CB 3.38Å; T267-R271 PolarHBondContact OG1-N 3.05Å; W269-R271 HydrophobicContact CB-CG 4.14Å; W269-R271 VanDerWaalsContact CE3-CZ 3.43Å
272	K	94.9	Very high	93	Very high	88 Å²	88	64.2 Å²	64.2	38%	0.383	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.6	-179.6	-64.4	173.2	-175.6	166.4	0	110.2	G265 L274	G265-K272 WeakPolarHBondContact O-CA 3.37Å; K272-L274 HydrophobicContact CB-CD2 4.06Å; K272-L274 HydrophobicContact CB-CG 4.15Å
273	L	97.9	Very high	92.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.3	164.5	-71	-178.5	0	0	0	109.1	L73 I74 L178 L208 E210 S263 F264 G265	L73-L273 HydrophobicContact CB-CD1 3.81Å; L73-L273 HydrophobicContact CD1-CD1 3.97Å; L73-L273 HydrophobicContact CD1-CG 4.37Å; I74-L273 HydrophobicContact CD1-CD1 4.3Å; I74-L273 HydrophobicContact CG1-CD1 3.87Å; L178-L273 HydrophobicContact CD2-CD2 3.83Å; L208-L273 HydrophobicContact CD1-CB 4.39Å; E210-L273 HydrophobicContact CB-CD2 3.65Å; E210-L273 HydrophobicContact CG-CD2 3.97Å; S263-L273 WeakPolarHBondContact CA-O 3.36Å; F264-L273 HydrophobicContact CB-CB 4.01Å; F264-L273 HydrophobicContact CD2-CB 4.26Å; F264-L273 PolarHBondContact N-O 3.02Å; G265-L273 PolarHBondContact O-N 3.31Å
274	L	98.7	Very high	92.4	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.052	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.4	-173.8	-59.1	178.1	0	0	0	109.3	L209 A245 L260 K272 F276	L209-L274 PolarHBondContact N-O 3.3Å; L209-L274 PolarHBondContact O-N 3.15Å; A245-L274 HydrophobicContact CB-CD1 4.17Å; L260-L274 HydrophobicContact CD1-CB 3.88Å; L260-L274 HydrophobicContact CD1-CD2 4.21Å; K272-L274 HydrophobicContact CB-CD2 4.06Å; K272-L274 HydrophobicContact CB-CG 4.15Å; L274-F276 HydrophobicContact CB-CD2 4.36Å; L274-F276 HydrophobicContact CB-CE2 3.56Å; L274-F276 HydrophobicContact CB-CZ 4.14Å; L274-F276 HydrophobicContact CD1-CE2 4.45Å; L274-F276 HydrophobicContact CD1-CZ 4.39Å
275	L	98.9	Very high	92.1	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.4	-180	-179.7	64.7	0	0	0	110.2	L78 L82 L174 H206 L207 L208 I261 R262 F264	L78-L275 HydrophobicContact CD1-CD2 3.89Å; L82-L275 HydrophobicContact CD2-CD2 4.07Å; L174-L275 HydrophobicContact CD1-CD1 4.33Å; H206-L275 HydrophobicContact CB-CD1 4.32Å; L207-L275 WeakPolarHBondContact O-CA 3.43Å; L208-L275 HydrophobicContact CB-CD1 4.32Å; L208-L275 HydrophobicContact CD1-CB 4.24Å; L208-L275 HydrophobicContact CD1-CD1 4.43Å; I261-L275 HydrophobicContact CD1-CD2 3.83Å; I261-L275 HydrophobicContact CD1-CG 3.98Å; I261-L275 HydrophobicContact CG1-CB 4.4Å; I261-L275 HydrophobicContact CG1-CD2 4.11Å; I261-L275 HydrophobicContact CG1-CG 3.9Å; I261-L275 VanDerWaalsContact CG1-O 3.28Å; I261-L275 WeakPolarHBondContact CG1-O 3.31Å; I261-L275 PolarHBondContact N-O 3.18Å; R262-L275 HydrophobicContact CB-CB 4.13Å; R262-L275 HydrophobicContact CB-CD2 4.29Å; R262-L275 PolarHBondContact N-O 3.15Å; R262-L275 PolarHBondContact O-N 3.33Å; F264-L275 HydrophobicContact CE2-CB 3.78Å; F264-L275 HydrophobicContact CE2-CD2 3.96Å; F264-L275 HydrophobicContact CE2-CG 4.42Å; F264-L275 HydrophobicContact CZ-CB 4.41Å; F264-L275 HydrophobicContact CZ-CD2 3.84Å
276	F	98.9	Very high	92.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.1	177.9	-61.5	-96.8	0	0	0	110.7	H206 L207 L209 T249 L252 M258 E259 L260 L274	H206-F276 CarbonylContact C-O 3.55Å; H206-F276 VanDerWaalsContact CA-O 3.23Å; H206-F276 WeakPolarHBondContact CA-O 3.11Å; L207-F276 HydrophobicContact CB-CB 4.34Å; L207-F276 PolarHBondContact N-O 3.42Å; L207-F276 PolarHBondContact O-N 3.41Å; L209-F276 HydrophobicContact CB-CD2 4.41Å; L209-F276 HydrophobicContact CB-CE2 4.08Å; L209-F276 HydrophobicContact CD2-CE2 4.03Å; T249-F276 HydrophobicContact CG2-CE1 3.9Å; T249-F276 HydrophobicContact CG2-CZ 4.06Å; L252-F276 HydrophobicContact CB-CD1 4.18Å; L252-F276 HydrophobicContact CB-CE1 4.11Å; L252-F276 HydrophobicContact CD1-CD1 4Å; L252-F276 HydrophobicContact CD1-CD2 3.85Å; L252-F276 HydrophobicContact CD1-CE1 3.84Å; L252-F276 HydrophobicContact CD1-CE2 3.71Å; L252-F276 HydrophobicContact CD1-CG 4Å; L252-F276 HydrophobicContact CD1-CZ 3.71Å; M258-F276 HydrophobicContact CB-CB 4.25Å; M258-F276 HydrophobicContact CB-CD1 4.42Å; M258-F276 HydrophobicContact CE-CB 3.79Å; E259-F276 CarbonylContact O-C 3.58Å; E259-F276 WeakPolarHBondContact O-CA 2.98Å; L260-F276 HydrophobicContact CB-CD1 4Å; L260-F276 HydrophobicContact CB-CE1 3.79Å; L260-F276 HydrophobicContact CB-CZ 4.47Å; L260-F276 HydrophobicContact CD1-CD1 4.33Å; L260-F276 HydrophobicContact CD1-CD2 4.46Å; L260-F276 HydrophobicContact CD1-CE1 4.02Å; L260-F276 HydrophobicContact CD1-CE2 4.15Å; L260-F276 HydrophobicContact CD1-CZ 3.91Å; L260-F276 HydrophobicContact CG-CE1 4.44Å; L274-F276 HydrophobicContact CB-CD2 4.36Å; L274-F276 HydrophobicContact CB-CE2 3.56Å; L274-F276 HydrophobicContact CB-CZ 4.14Å; L274-F276 HydrophobicContact CD1-CE2 4.45Å; L274-F276 HydrophobicContact CD1-CZ 4.39Å
277	R	98.7	Very high	92	Very high	111 Å²	111	65.9 Å²	65.9	42%	0.419	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.2	173.4	179.7	179.8	62.9	-172.6	-3.7	109.9	H206 M258 E259 I261	H206-R277 WeakPolarHBondContact NE2-CG 3.24Å; M258-R277 CarbonylContact C-O 3.54Å; M258-R277 VanDerWaalsContact CA-O 3.31Å; M258-R277 WeakPolarHBondContact CA-O 3.31Å; E259-R277 PolarHBondContact N-O 3.33Å; E259-R277 PolarHBondContact O-N 3.09Å; E259-R277 IonicContact OE2-CZ 3.49Å; E259-R277 IonicContact OE2-NE 3.52Å; E259-R277 IonicContact OE2-NH2 2.8Å; E259-R277 PolarHBondContact OE2-NH2 2.68Å; I261-R277 HydrophobicContact CD1-CB 3.95Å; I261-R277 HydrophobicContact CG1-CB 4.21Å; I261-R277 HydrophobicContact CG2-CB 3.76Å
278	R	98.1	Very high	92.6	Very high	129 Å²	129	70.5 Å²	70.5	49%	0.487	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.4	171.6	-173.7	173.9	177.1	165	1	111.1	A202 S205 M258	A202-R278 PolarHBondContact O-NH1 3.1Å; S205-R278 PolarHBondContact O-N 3.14Å; M258-R278 VanDerWaalsContact SD-CA 3.53Å; M258-R278 HydrophobicContact SD-CB 3.84Å; M258-R278 HydrophobicContact SD-CG 4.45Å
279	R	92.9	Very high	93.8	Very high	209 Å²	209	68.4 Å²	68.4	79%	0.789	28%	0.279	S	S	*	.			trans	-75.7	0	176.5	-65.1	-178.9	-170.6	-168.2	0.7	112.8	G257 M258 E259	G257-R279 WeakPolarHBondContact O-CB 3.39Å; G257-R279 WeakPolarHBondContact O-CG 3.43Å; G257-R279 PolarHBondContact O-N 2.92Å; M258-R279 PolarHBondContact O-NE 3.48Å; M258-R279 VanDerWaalsContact O-NE 3.1Å; M258-R279 PolarHBondContact O-NH2 3.27Å; E259-R279 HydrophobicContact CB-CG 4.22Å

Retrieved 279 of 279 residues in 595.8 ms (Link to these results)

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