A0A087YGK4_POEFO Loading...

Xaa-Pro aminopeptidase 2

Membrane-bound metalloprotease which catalyzes the removal of a penultimate prolyl residue from the N-termini of peptides, such as Arg-Pro-Pro. May play a role in the metabolism of the vasodilator bradykinin.

AlphaFold DB , UniProt , Accession A0A087YGK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 672 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	32	Very low	242 Å²	242	142.2 Å²	142.2	100%	1.192	83%	0.825	S	S	*	*				0	140.4	0	-79.9	-172.9	171.5	0	0	108.1
2	P	65.4	Low	31.6	Very low	126 Å²	126	137.8 Å²	137.8	82%	0.818	82%	0.818	S	S	*	*				-101.1	-176.6	-84.6	36.1	-20.8	0	0	0	108.9
3	S	31.8	Very low	31.5	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	82%	0.82	S	S	*	*			cis	-174	138.3	42.1	54.9	0	0	0	0	110.3
4	S	30.3	Very low	31.4	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	81%	0.812	S	S	*	*			trans	36.9	119.4	137.2	58.1	0	0	0	0	119.4
5	A	28.1	Very low	31.2	Very low	100 Å²	100	137.5 Å²	137.5	83%	0.826	82%	0.822	S	S	*	*				-179.7	142.2	102.1	0	0	0	0	0	110.4
6	W	27.6	Very low	31.3	Very low	215 Å²	215	136.6 Å²	136.6	81%	0.814	82%	0.818	S	S	*	*			trans	-69.4	152.3	-177.9	-72.8	65.3	0	0	0	113.5
7	L	27.5	Very low	30.9	Very low	158 Å²	158	132.8 Å²	132.8	83%	0.827	81%	0.814	S	S	*	*			trans	163.4	99.2	133.1	-88.6	148.8	0	0	0	109.4
8	W	28.7	Very low	30.8	Very low	216 Å²	216	134.9 Å²	134.9	82%	0.818	81%	0.812	S	S	*	*				57.2	111.6	104.4	-79.4	83.3	0	0	0	115.6
9	A	27	Very low	30.7	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	82%	0.816	S	S	*	*				166.4	130.9	101.8	0	0	0	0	0	113.2
10	A	29	Very low	30.5	Very low	91 Å²	91	139.8 Å²	139.8	75%	0.752	82%	0.819	S	S	*	*			trans	65	120.2	140.4	0	0	0	0	0	121.3
11	S	25.7	Very low	30.4	Very low	118 Å²	118	139.2 Å²	139.2	83%	0.825	82%	0.821	S	S	*	*				174.4	158.9	90.2	-71.8	0	0	0	0	113.5
12	A	27	Very low	30.4	Very low	90 Å²	90	132.1 Å²	132.1	74%	0.744	80%	0.8	S	S	*	*			trans	96	87.1	171.2	0	0	0	0	0	115.6
13	V	30.6	Very low	28.9	Very low	139 Å²	139	129.2 Å²	129.2	84%	0.842	79%	0.787	S	S	*	*				56.5	87.4	77.8	-173.9	0	0	0	0	110.6
14	A	29.4	Very low	29	Very low	86 Å²	86	129.5 Å²	129.5	71%	0.711	80%	0.796	S	S	*	*				76.9	105.2	85.6	0	0	0	0	0	114.6
15	L	29.7	Very low	29.7	Very low	183 Å²	183	132.5 Å²	132.5	96%	0.958	79%	0.791	S	S	*	*			trans	-140.2	100.9	152.9	-101.8	158	0	0	0	106.7
16	T	31.5	Very low	30.7	Very low	124 Å²	124	136.5 Å²	136.5	76%	0.761	79%	0.793	S	S	*	*			trans	-88.2	113	178.7	44.4	0	0	0	0	110.1
17	G	25.3	Very low	32.2	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	79%	0.791	S	S	*	*			trans	-101.2	110.5	158.4	0	0	0	0	0	109	L19	G17-L19 PolarHBondContact O-N 3.36Å
18	H	28.7	Very low	34.2	Very low	171 Å²	171	131.4 Å²	131.4	79%	0.792	77%	0.769	S	S	*	*			trans	-76.5	104.7	169.7	-82.9	-72.6	0	0	0	109.2	F20	H18-F20 PolarHBondContact O-N 3.48Å
19	L	28.4	Very low	36.4	Very low	169 Å²	169	122.3 Å²	122.3	89%	0.885	74%	0.736	S	S	*	*			trans	-73.6	107.8	161.9	-88	138.8	0	0	0	108.3	G17 C21	G17-L19 PolarHBondContact O-N 3.36Å; L19-C21 PolarHBondContact O-N 3.1Å
20	F	28.1	Very low	38.3	Very low	198 Å²	198	124.3 Å²	124.3	87%	0.868	72%	0.724	S	S	*	*			trans	-62.5	112	159.3	-90.4	-92.9	0	0	0	107.9	H18 A22	H18-F20 PolarHBondContact O-N 3.48Å; F20-A22 PolarHBondContact O-N 2.69Å; F20-A22 VanDerWaalsContact O-N 3.14Å
21	C	28.2	Very low	40	Very low	128 Å²	128	124.4 Å²	124.4	87%	0.865	71%	0.712	S	S	*	*			trans	-74.1	99.9	169.8	-153	0	0	0	0	107.3	L19 A23	L19-C21 PolarHBondContact O-N 3.1Å; C21-A23 PolarHBondContact O-N 2.03Å
22	A	30.3	Very low	41.8	Very low	92 Å²	92	119.9 Å²	119.9	76%	0.76	68%	0.68	S	S	*	*			trans	-67.7	107.7	166.7	0	0	0	0	0	107.6	F20 A24	F20-A22 PolarHBondContact O-N 2.69Å; F20-A22 VanDerWaalsContact O-N 3.14Å; A22-A24 PolarHBondContact O-N 3.08Å; A22-A24 VanDerWaalsContact O-N 3.16Å
23	A	33.8	Very low	43.5	Very low	65 Å²	65	120.7 Å²	120.7	54%	0.537	68%	0.68	S	S	.	*			trans	-59.6	117.9	166.9	0	0	0	0	0	107.8	C21 Y25	C21-A23 PolarHBondContact O-N 2.03Å; A23-Y25 HydrophobicContact CB-CD2 4.38Å; A23-Y25 HydrophobicContact CB-CE2 3.99Å; A23-Y25 WeakPolarHBondContact O-CD2 3.13Å; A23-Y25 PolarHBondContact O-N 3.39Å
24	A	33.6	Very low	44.7	Very low	104 Å²	104	119.8 Å²	119.8	86%	0.86	67%	0.67	S	S	*	*			trans	-68.7	99.1	170.5	0	0	0	0	0	107.7	A22 E26	A22-A24 PolarHBondContact O-N 3.08Å; A22-A24 VanDerWaalsContact O-N 3.16Å; A24-E26 PolarHBondContact O-N 3.45Å
25	Y	46.1	Very low	45.6	Very low	172 Å²	172	121.8 Å²	121.8	68%	0.675	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-72.9	118.3	173.6	-74.5	-90.1	0	0	0	108.8	A23 R27 L58	A23-Y25 HydrophobicContact CB-CD2 4.38Å; A23-Y25 HydrophobicContact CB-CE2 3.99Å; A23-Y25 WeakPolarHBondContact O-CD2 3.13Å; A23-Y25 PolarHBondContact O-N 3.39Å; Y25-R27 PolarHBondContact O-N 3.18Å; Y25-L58 HydrophobicContact CE1-CD1 4.24Å
26	E	49.4	Very low	46.7	Very low	185 Å²	185	117.7 Å²	117.7	86%	0.864	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-63	123.3	171.4	-135.9	170.2	-168.4	0	0	108.3	A24 T28	A24-E26 PolarHBondContact O-N 3.45Å; E26-T28 PolarHBondContact O-N 3.23Å
27	R	57.5	Low	47.8	Very low	206 Å²	206	117.3 Å²	117.3	78%	0.777	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-65.7	122.7	178.3	-75.8	-173.3	-179.7	-172.7	-1.5	109.1	Y25 E29	Y25-R27 PolarHBondContact O-N 3.18Å; R27-E29 WeakPolarHBondContact CB-OE2 3.25Å
28	T	69.9	Low	49.2	Very low	59 Å²	59	123 Å²	123	36%	0.362	66%	0.658	S	S	.	*			trans	-91.9	-7	176.8	56.5	0	0	0	0	112	E26 R54 Q102 T103	E26-T28 PolarHBondContact O-N 3.23Å; T28-R54 PolarHBondContact OG1-NH1 3.35Å; T28-Q102 PolarHBondContact OG1-O 2.89Å; T28-T103 HydrophobicContact CG2-CG2 4.2Å
29	E	74.8	Confident	50.8	Low	25 Å²	25	118.1 Å²	118.1	12%	0.117	64%	0.637	C	S	.	*	S	Bend	trans	-66.2	134.9	172.4	-59.5	70.4	-145.8	0	0	110.4	R27 S47 L50 W51 R54	R27-E29 WeakPolarHBondContact CB-OE2 3.25Å; E29-S47 WeakPolarHBondContact CG-O 3.43Å; E29-L50 HydrophobicContact CG-CB 4.44Å; E29-W51 WeakPolarHBondContact OE1-CA 3.37Å; E29-R54 IonicContact OE1-CZ 2.92Å; E29-R54 IonicContact OE1-NH1 3.67Å; E29-R54 PolarHBondContact OE1-NH1 2.82Å
30	R	67.1	Low	52.7	Low	134 Å²	134	112.1 Å²	112.1	51%	0.506	61%	0.608	S	S	.	*			trans	-71.1	139.1	177.2	-67.8	-179	-176.7	165.3	1.8	109	C32 C123 N124 E126	R30-C32 VanDerWaalsContact C-N 3.34Å; R30-C32 PolarHBondContact O-N 3.31Å; R30-C123 VanDerWaalsContact CB-SG 3.56Å; R30-C123 WeakPolarHBondContact CD-O 3.41Å; R30-C123 PolarHBondContact NH1-O 3.43Å; R30-C123 VanDerWaalsContact NH1-O 3.13Å; R30-N124 PolarHBondContact N-OD1 3.47Å; R30-E126 IonicContact NH2-OE1 3.7Å
31	N	64.5	Low	54.9	Low	93 Å²	93	108 Å²	108	50%	0.497	60%	0.604	S	S	.	*			trans	-74.5	89.5	171.8	-173.8	-7.1	0	0	0	109.8	S33 L34	N31-S33 PolarHBondContact O-N 2.88Å; N31-S33 WeakPolarHBondContact OD1-CB 3.45Å; N31-S33 PolarHBondContact OD1-N 3.29Å; N31-S33 PolarHBondContact OD1-OG 3.04Å; N31-L34 HydrophobicContact CB-CD1 4.42Å; N31-L34 WeakPolarHBondContact ND2-CD1 3.31Å; N31-L34 PolarHBondContact O-N 3.47Å
32	C	64.9	Low	57.4	Low	23 Å²	23	105 Å²	105	16%	0.155	58%	0.582	C	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-2	178.7	-55.7	0	0	0	0	114.4	R30 L39 C123	R30-C32 VanDerWaalsContact C-N 3.34Å; R30-C32 PolarHBondContact O-N 3.31Å; C32-L39 HydrophobicContact CB-CD1 3.98Å; C32-C123 WeakPolarHBondContact CA-SG 3.48Å; C32-C123 HydrophobicContact CB-CB 4.01Å; C32-C123 WeakPolarHBondContact CB-SG 3.07Å; C32-C123 WeakPolarHBondContact SG-CB 3.21Å; C32-C123 PolarHBondContact SG-N 3.29Å; C32-C123 VanDerWaalsContact SG-N 3.36Å; C32-C123 CovalentContact SG-SG 2.05Å; C32-C123 PolarHBondContact SG-SG 3.39Å
33	S	61.4	Low	60.1	Low	106 Å²	106	101.8 Å²	101.8	74%	0.741	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-10.6	172.2	-42.6	0	0	0	0	113	N31	N31-S33 PolarHBondContact O-N 2.88Å; N31-S33 WeakPolarHBondContact OD1-CB 3.45Å; N31-S33 PolarHBondContact OD1-N 3.29Å; N31-S33 PolarHBondContact OD1-OG 3.04Å
34	L	55.9	Low	62.9	Low	121 Å²	121	101.8 Å²	101.8	63%	0.634	55%	0.549	S	S	*	.	S	Bend	trans	-118.1	85.9	-178.9	-66.9	174.7	0	0	0	109.9	N31	N31-L34 HydrophobicContact CB-CD1 4.42Å; N31-L34 WeakPolarHBondContact ND2-CD1 3.31Å; N31-L34 PolarHBondContact O-N 3.47Å
35	T	47.9	Very low	65.6	Low	127 Å²	127	101.5 Å²	101.5	78%	0.779	53%	0.532	S	S	*	.	S	Bend	trans	47.8	112.3	167.9	30.8	0	0	0	0	116.7
36	P	52.7	Low	68	Low	97 Å²	97	93.3 Å²	93.3	63%	0.63	50%	0.5	S	S	*	.	S	Bend		-98.1	172.1	57.4	-9	27.1	0	0	0	113.9	Y38	P36-Y38 PolarHBondContact O-N 2.95Å
37	P	56.3	Low	70.1	Confident	117 Å²	117	85.7 Å²	85.7	76%	0.76	47%	0.467	S	S	*	.	S	Bend	trans	-75.3	121.7	-168.9	32.2	-30.1	0	0	0	109.4
38	Y	54.2	Low	71.9	Confident	190 Å²	190	81.2 Å²	81.2	75%	0.745	46%	0.458	S	S	*	.			trans	55.8	89.6	165.3	-158.1	-97.3	0	0	0	114.9	P36	P36-Y38 PolarHBondContact O-N 2.95Å
39	L	62.5	Low	73.2	Confident	69 Å²	69	80.2 Å²	80.2	36%	0.361	45%	0.449	S	S	.	.			trans	-56.5	130.2	156.2	-74.5	175	0	0	0	107.7	C32 A43 D122	C32-L39 HydrophobicContact CB-CD1 3.98Å; L39-A43 HydrophobicContact CB-CB 3.9Å; L39-A43 HydrophobicContact CD2-CB 4.32Å; L39-A43 HydrophobicContact CG-CB 4.49Å; L39-D122 HydrophobicContact CD1-CB 3.94Å
40	P	68.1	Low	74.3	Confident	43 Å²	43	79.1 Å²	79.1	28%	0.279	44%	0.444	S	S	.	.			trans	-51.6	150.7	176.1	-28.9	38.3	0	0	0	110.5	T42 A43 R119	P40-T42 WeakPolarHBondContact CB-OG1 3.47Å; P40-T42 PolarHBondContact O-N 2.87Å; P40-A43 VanDerWaalsContact O-CB 3.3Å; P40-A43 WeakPolarHBondContact O-CB 3.47Å; P40-A43 PolarHBondContact O-N 3.27Å; P40-R119 HydrophobicContact CG-CB 4.49Å; P40-R119 HydrophobicContact CG-CG 4.48Å
41	S	74.1	Confident	75.7	Confident	111 Å²	111	78.7 Å²	78.7	78%	0.776	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.8	176.7	53.6	0	0	0	0	113.5
42	T	81.4	Confident	77.3	Confident	67 Å²	67	76 Å²	76	41%	0.411	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.7	174.9	51.1	0	0	0	0	114.3	P40 R119	P40-T42 WeakPolarHBondContact CB-OG1 3.47Å; P40-T42 PolarHBondContact O-N 2.87Å; T42-R119 CarbonylContact C-O 3.55Å; T42-R119 PolarHBondContact OG1-O 3.12Å
43	A	86.7	Confident	78.9	Confident	24 Å²	24	74.9 Å²	74.9	20%	0.198	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-76.7	136.2	-179.2	0	0	0	0	0	111.5	L39 P40 R119 Q120	L39-A43 HydrophobicContact CB-CB 3.9Å; L39-A43 HydrophobicContact CD2-CB 4.32Å; L39-A43 HydrophobicContact CG-CB 4.49Å; P40-A43 VanDerWaalsContact O-CB 3.3Å; P40-A43 WeakPolarHBondContact O-CB 3.47Å; P40-A43 PolarHBondContact O-N 3.27Å; A43-R119 PolarHBondContact N-O 3.35Å; A43-Q120 WeakPolarHBondContact CA-O 3.37Å
44	V	91.1	Very high	80.7	Confident	65 Å²	65	70.5 Å²	70.5	39%	0.394	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-100.6	128.2	179.4	-176	0	0	0	0	109.6	T46 Q120 D122	V44-T46 HydrophobicContact CG1-CG2 4.36Å; V44-T46 PolarHBondContact O-N 3.44Å; V44-Q120 PolarHBondContact N-O 2.96Å; V44-D122 WeakPolarHBondContact O-CB 3.33Å
45	N	92.1	Very high	82.7	Confident	97 Å²	97	66.8 Å²	66.8	52%	0.519	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-74.3	119.1	172	-175.8	-28.3	0	0	0	110	S47	N45-S47 WeakPolarHBondContact OD1-CB 3.37Å; N45-S47 PolarHBondContact OD1-N 3.36Å; N45-S47 PolarHBondContact OD1-OG 2.89Å
46	T	95.4	Very high	85	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.353	C	S	.	.			trans	-113.5	9.6	-172.9	61.6	0	0	0	0	113.5	V44 I48 Q49 L50 M88 D122 W125	V44-T46 HydrophobicContact CG1-CG2 4.36Å; V44-T46 PolarHBondContact O-N 3.44Å; T46-I48 VanDerWaalsContact C-N 3.31Å; T46-I48 PolarHBondContact O-N 3.47Å; T46-Q49 VanDerWaalsContact C-OE1 3.23Å; T46-Q49 PolarHBondContact O-N 2.92Å; T46-Q49 PolarHBondContact O-OE1 3.3Å; T46-L50 PolarHBondContact O-N 2.99Å; T46-M88 VanDerWaalsContact CB-O 3.29Å; T46-M88 WeakPolarHBondContact CB-O 3.29Å; T46-M88 WeakPolarHBondContact CG2-O 3.27Å; T46-D122 PolarHBondContact N-OD2 3.25Å; T46-D122 PolarHBondContact OG1-OD1 3.28Å; T46-D122 PolarHBondContact OG1-OD2 3.09Å; T46-W125 PolarHBondContact OG1-NE1 3.32Å
47	S	94.4	Very high	87.2	Confident	25 Å²	25	59.7 Å²	59.7	18%	0.175	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-38.5	-175.6	-64.6	0	0	0	0	113.3	E29 N45 W51 N124	E29-S47 WeakPolarHBondContact CG-O 3.43Å; N45-S47 WeakPolarHBondContact OD1-CB 3.37Å; N45-S47 PolarHBondContact OD1-N 3.36Å; N45-S47 PolarHBondContact OD1-OG 2.89Å; S47-W51 WeakPolarHBondContact O-CB 3.35Å; S47-W51 PolarHBondContact O-N 3.47Å; S47-W51 VanDerWaalsContact O-N 3.1Å; S47-N124 PolarHBondContact OG-ND2 3.38Å; S47-N124 VanDerWaalsContact OG-ND2 3.13Å
48	I	95.1	Very high	89.1	Confident	113 Å²	113	58.2 Å²	58.2	58%	0.579	31%	0.308	S	S	*	.	H	α-helix	trans	-69.4	-43.5	179.7	-64.8	174.3	0	0	0	110.3	T46 L50 W51 E52	T46-I48 VanDerWaalsContact C-N 3.31Å; T46-I48 PolarHBondContact O-N 3.47Å; I48-L50 PolarHBondContact O-N 3.11Å; I48-W51 PolarHBondContact O-N 2.6Å; I48-E52 HydrophobicContact CG2-CG 4.28Å; I48-E52 WeakPolarHBondContact O-CG 3.44Å; I48-E52 PolarHBondContact O-N 3.12Å
49	Q	96.8	Very high	91.1	Very high	38 Å²	38	54.3 Å²	54.3	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-46.4	179.4	-66.1	82.8	-19.1	0	0	110.8	T46 L53 F87 M88	T46-Q49 VanDerWaalsContact C-OE1 3.23Å; T46-Q49 PolarHBondContact O-N 2.92Å; T46-Q49 PolarHBondContact O-OE1 3.3Å; Q49-L53 VanDerWaalsContact O-CB 3.29Å; Q49-L53 WeakPolarHBondContact O-CB 3.4Å; Q49-L53 PolarHBondContact O-N 3.28Å; Q49-F87 HydrophobicContact CB-CE1 4.46Å; Q49-F87 HydrophobicContact CG-CE1 3.91Å; Q49-F87 HydrophobicContact CG-CE2 4.15Å; Q49-F87 HydrophobicContact CG-CZ 3.66Å; Q49-M88 HydrophobicContact CB-CE 3.84Å; Q49-M88 HydrophobicContact CB-SD 4.01Å
50	L	97.9	Very high	92.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-44.8	176.8	-74.5	171.9	0	0	0	112.3	E29 T46 I48 L53 R54 M88 V100 A105 N124 W125	E29-L50 HydrophobicContact CG-CB 4.44Å; T46-L50 PolarHBondContact O-N 2.99Å; I48-L50 PolarHBondContact O-N 3.11Å; L50-L53 PolarHBondContact O-N 2.79Å; L50-R54 WeakPolarHBondContact O-CB 3.45Å; L50-R54 WeakPolarHBondContact O-CD 3.28Å; L50-R54 VanDerWaalsContact O-CG 3.24Å; L50-R54 WeakPolarHBondContact O-CG 3.36Å; L50-R54 PolarHBondContact O-N 3.26Å; L50-M88 HydrophobicContact CD2-CE 4.24Å; L50-V100 HydrophobicContact CD2-CB 4.47Å; L50-V100 HydrophobicContact CD2-CG1 3.84Å; L50-V100 HydrophobicContact CD2-CG2 3.74Å; L50-A105 HydrophobicContact CD1-CB 4.31Å; L50-A105 HydrophobicContact CD2-CB 3.89Å; L50-N124 HydrophobicContact CD1-CB 3.51Å; L50-W125 HydrophobicContact CD2-CH2 4.35Å; L50-W125 HydrophobicContact CD2-CZ2 3.79Å; L50-W125 HydrophobicContact CG-CZ2 4.42Å
51	W	97.2	Very high	94	Very high	126 Å²	126	57.3 Å²	57.3	48%	0.477	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-48.1	178.5	176.3	75.3	0	0	0	111.7	E29 S47 I48 R54 A55	E29-W51 WeakPolarHBondContact OE1-CA 3.37Å; S47-W51 WeakPolarHBondContact O-CB 3.35Å; S47-W51 PolarHBondContact O-N 3.47Å; S47-W51 VanDerWaalsContact O-N 3.1Å; I48-W51 PolarHBondContact O-N 2.6Å; W51-R54 PolarHBondContact O-N 3.08Å; W51-A55 PolarHBondContact O-N 2.95Å; W51-A55 VanDerWaalsContact O-N 3.12Å
52	E	97.7	Very high	95.1	Very high	36 Å²	36	52.2 Å²	52.2	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-64.6	-41.7	178.6	-68.1	-172.1	157.4	0	0	111.3	I48 A55 Q56 V187 K189	I48-E52 HydrophobicContact CG2-CG 4.28Å; I48-E52 WeakPolarHBondContact O-CG 3.44Å; I48-E52 PolarHBondContact O-N 3.12Å; E52-A55 WeakPolarHBondContact O-CB 3.46Å; E52-A55 PolarHBondContact O-N 2.79Å; E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 3.17Å; E52-V187 HydrophobicContact CB-CB 3.92Å; E52-V187 HydrophobicContact CB-CG1 3.59Å; E52-K189 IonicContact OE1-NZ 3.43Å; E52-K189 PolarHBondContact OE1-NZ 3.46Å; E52-K189 IonicContact OE2-NZ 3.47Å
53	L	98.3	Very high	95.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-45.2	178.3	178.8	65.4	0	0	0	111.9	Q49 L50 A55 Q56 M57 Y65 I67 M88 V100 L183	Q49-L53 VanDerWaalsContact O-CB 3.29Å; Q49-L53 WeakPolarHBondContact O-CB 3.4Å; Q49-L53 PolarHBondContact O-N 3.28Å; L50-L53 PolarHBondContact O-N 2.79Å; L53-A55 VanDerWaalsContact C-N 3.26Å; L53-A55 PolarHBondContact O-N 2.82Å; L53-Q56 WeakPolarHBondContact O-CA 3.35Å; L53-Q56 WeakPolarHBondContact O-CB 3.49Å; L53-Q56 PolarHBondContact O-N 3.13Å; L53-M57 HydrophobicContact CG-SD 4.28Å; L53-M57 WeakPolarHBondContact O-CG 3.38Å; L53-M57 PolarHBondContact O-N 3.32Å; L53-Y65 HydrophobicContact CD1-CD1 4.38Å; L53-I67 HydrophobicContact CD2-CD1 3.84Å; L53-M88 HydrophobicContact CB-CE 3.98Å; L53-M88 HydrophobicContact CD2-CE 3.54Å; L53-M88 HydrophobicContact CD2-SD 4.31Å; L53-M88 HydrophobicContact CG-CE 4.37Å; L53-V100 HydrophobicContact CD2-CB 4.01Å; L53-V100 HydrophobicContact CD2-CG1 4.11Å; L53-V100 HydrophobicContact CD2-CG2 3.9Å; L53-L183 HydrophobicContact CD1-CB 3.59Å
54	R	98.3	Very high	96.5	Very high	13 Å²	13	49.2 Å²	49.2	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-38.6	177	-74.4	167	175.8	158.8	-3.8	111.6	T28 E29 L50 W51 Q56 M57 L58 V100 T101 Q102 T103 K104	T28-R54 PolarHBondContact OG1-NH1 3.35Å; E29-R54 IonicContact OE1-CZ 2.92Å; E29-R54 IonicContact OE1-NH1 3.67Å; E29-R54 PolarHBondContact OE1-NH1 2.82Å; L50-R54 WeakPolarHBondContact O-CB 3.45Å; L50-R54 WeakPolarHBondContact O-CD 3.28Å; L50-R54 VanDerWaalsContact O-CG 3.24Å; L50-R54 WeakPolarHBondContact O-CG 3.36Å; L50-R54 PolarHBondContact O-N 3.26Å; W51-R54 PolarHBondContact O-N 3.08Å; R54-Q56 VanDerWaalsContact C-N 3.3Å; R54-Q56 PolarHBondContact O-N 2.96Å; R54-M57 WeakPolarHBondContact O-CB 3.38Å; R54-M57 PolarHBondContact O-N 3.48Å; R54-M57 VanDerWaalsContact O-N 3.15Å; R54-L58 PolarHBondContact O-N 3.23Å; R54-V100 HydrophobicContact CG-CG1 4.23Å; R54-T101 PolarHBondContact NE-O 3.29Å; R54-Q102 PolarHBondContact NE-O 3.25Å; R54-T103 VanDerWaalsContact NH2-C 3.33Å; R54-T103 PolarHBondContact NH2-O 3.3Å; R54-K104 PolarHBondContact NH2-O 2.87Å
55	A	97.8	Very high	96.8	Very high	43 Å²	43	46.2 Å²	46.2	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-36.4	173.6	0	0	0	0	0	112.5	W51 E52 L53 P59	W51-A55 PolarHBondContact O-N 2.95Å; W51-A55 VanDerWaalsContact O-N 3.12Å; E52-A55 WeakPolarHBondContact O-CB 3.46Å; E52-A55 PolarHBondContact O-N 2.79Å; L53-A55 VanDerWaalsContact C-N 3.26Å; L53-A55 PolarHBondContact O-N 2.82Å; A55-P59 WeakPolarHBondContact O-CD 3.4Å
56	Q	97.8	Very high	97.2	Very high	76 Å²	76	41.6 Å²	41.6	36%	0.355	22%	0.222	S	C	.	.	H	α-helix	trans	-71.7	-27.8	174.2	-61.4	-55.5	-39.7	0	0	113.5	E52 L53 R54 P59 Q186 V187	E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 3.17Å; L53-Q56 WeakPolarHBondContact O-CA 3.35Å; L53-Q56 WeakPolarHBondContact O-CB 3.49Å; L53-Q56 PolarHBondContact O-N 3.13Å; R54-Q56 VanDerWaalsContact C-N 3.3Å; R54-Q56 PolarHBondContact O-N 2.96Å; Q56-P59 WeakPolarHBondContact O-CD 3.35Å; Q56-Q186 HydrophobicContact CG-CB 4.31Å; Q56-V187 HydrophobicContact CG-CG1 3.84Å
57	M	97.9	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-72.2	-32.5	179.3	-68.1	164.4	60.9	0	0	113	L53 R54 L60 N61 V62 V100 L183	L53-M57 HydrophobicContact CG-SD 4.28Å; L53-M57 WeakPolarHBondContact O-CG 3.38Å; L53-M57 PolarHBondContact O-N 3.32Å; R54-M57 WeakPolarHBondContact O-CB 3.38Å; R54-M57 PolarHBondContact O-N 3.48Å; R54-M57 VanDerWaalsContact O-N 3.15Å; M57-L60 PolarHBondContact O-N 3.15Å; M57-N61 PolarHBondContact O-N 2.92Å; M57-V62 HydrophobicContact CB-CB 4.28Å; M57-V62 HydrophobicContact CE-CG1 4.19Å; M57-V62 HydrophobicContact CG-CG1 4.5Å; M57-V62 PolarHBondContact O-N 3.15Å; M57-V100 WeakPolarHBondContact CE-O 3.12Å; M57-V100 HydrophobicContact SD-CG1 4.35Å; M57-L183 HydrophobicContact CG-CD1 3.97Å
58	L	95.7	Very high	97.4	Very high	85 Å²	85	41.3 Å²	41.3	45%	0.445	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-60.8	-50.6	-173.9	-71.1	170.4	0	0	0	113.8	Y25 R54 L60 N61	Y25-L58 HydrophobicContact CE1-CD1 4.24Å; R54-L58 PolarHBondContact O-N 3.23Å; L58-L60 PolarHBondContact O-N 3.47Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L58-N61 PolarHBondContact O-N 3.47Å
59	P	96.6	Very high	97.5	Very high	109 Å²	109	36.6 Å²	36.6	71%	0.708	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-62.6	-22.8	179.9	-22.6	34.3	0	0	0	113.8	A55 Q56 N61	A55-P59 WeakPolarHBondContact O-CD 3.4Å; Q56-P59 WeakPolarHBondContact O-CD 3.35Å; P59-N61 VanDerWaalsContact C-N 3.33Å
60	L	96.6	Very high	97.5	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.325	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-89.7	0.2	-179.9	-60.3	178.6	0	0	0	113	M57 L58 V62 K177 I179 L183	M57-L60 PolarHBondContact O-N 3.15Å; L58-L60 PolarHBondContact O-N 3.47Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L60-V62 VanDerWaalsContact C-N 3.27Å; L60-V62 HydrophobicContact CB-CG2 3.77Å; L60-V62 PolarHBondContact O-N 3.08Å; L60-K177 PolarHBondContact O-NZ 3.18Å; L60-I179 HydrophobicContact CD1-CD1 4.26Å; L60-I179 HydrophobicContact CD1-CG2 4.09Å; L60-L183 HydrophobicContact CD1-CD1 4.13Å; L60-L183 HydrophobicContact CD1-CD2 3.59Å; L60-L183 HydrophobicContact CD1-CG 4.46Å
61	N	95.9	Very high	97.5	Very high	113 Å²	113	35.7 Å²	35.7	60%	0.604	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	44.2	-173.8	-169.4	31.4	0	0	0	111.9	M57 L58 P59 N149	M57-N61 PolarHBondContact O-N 2.92Å; L58-N61 PolarHBondContact O-N 3.47Å; P59-N61 VanDerWaalsContact C-N 3.33Å; N61-N149 PolarHBondContact ND2-ND2 3.08Å; N61-N149 WeakPolarHBondContact O-CB 3.37Å; N61-N149 PolarHBondContact O-ND2 2.87Å
62	V	97	Very high	97.5	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	18%	0.179	C	C	.	.			trans	-102.9	124.2	-179.5	175.1	0	0	0	0	109.7	M57 L60 A64 Q102 K177 I179	M57-V62 HydrophobicContact CB-CB 4.28Å; M57-V62 HydrophobicContact CE-CG1 4.19Å; M57-V62 HydrophobicContact CG-CG1 4.5Å; M57-V62 PolarHBondContact O-N 3.15Å; L60-V62 VanDerWaalsContact C-N 3.27Å; L60-V62 HydrophobicContact CB-CG2 3.77Å; L60-V62 PolarHBondContact O-N 3.08Å; V62-A64 WeakPolarHBondContact CG1-O 3.36Å; V62-Q102 PolarHBondContact O-NE2 3.25Å; V62-K177 HydrophobicContact CG2-CD 4.47Å; V62-I179 HydrophobicContact CG2-CD1 3.54Å
63	S	97.8	Very high	97.5	Very high	29 Å²	29	28.8 Å²	28.8	20%	0.203	17%	0.171	C	C	.	.	S	Bend	trans	-87.7	-32.1	-179.1	-54.5	0	0	0	0	112.6	T101 N149	S63-T101 WeakPolarHBondContact O-CA 3.4Å; S63-N149 PolarHBondContact N-O 2.97Å
64	A	98.4	Very high	97.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.3	176	0	0	0	0	0	110.7	V62 V99 V100 T101 L140 V144 N149 I150 G151	V62-A64 WeakPolarHBondContact CG1-O 3.36Å; A64-V99 HydrophobicContact CB-CG1 4.36Å; A64-V100 CarbonylContact C-O 3.44Å; A64-V100 VanDerWaalsContact CA-O 3.22Å; A64-V100 WeakPolarHBondContact CA-O 3.28Å; A64-T101 HydrophobicContact CB-CG2 3.97Å; A64-L140 HydrophobicContact CB-CD2 3.56Å; A64-V144 HydrophobicContact CB-CG2 3.66Å; A64-N149 PolarHBondContact N-O 2.85Å; A64-I150 HydrophobicContact CB-CG1 4.42Å; A64-I150 HydrophobicContact CB-CG2 4.45Å; A64-I150 CarbonylContact O-C 3.55Å; A64-I150 WeakPolarHBondContact O-CA 3.28Å; A64-G151 PolarHBondContact O-N 2.84Å
65	Y	98.8	Very high	97.2	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.3	177.6	-169.1	-109.1	0	0	0	110.6	L53 I67 V99 V100 G151 L183 V184	L53-Y65 HydrophobicContact CD1-CD1 4.38Å; Y65-I67 HydrophobicContact CD1-CD1 4.06Å; Y65-I67 HydrophobicContact CD1-CG1 3.59Å; Y65-I67 HydrophobicContact CE1-CD1 4.46Å; Y65-I67 HydrophobicContact CE1-CG1 3.85Å; Y65-V99 WeakPolarHBondContact O-CA 3.46Å; Y65-V100 PolarHBondContact N-O 3.32Å; Y65-V100 PolarHBondContact O-N 2.89Å; Y65-G151 WeakPolarHBondContact CA-O 3.32Å; Y65-G151 WeakPolarHBondContact CD2-O 3.34Å; Y65-L183 HydrophobicContact CD2-CD1 3.77Å; Y65-L183 HydrophobicContact CD2-CG 4.31Å; Y65-L183 HydrophobicContact CE1-CB 4.07Å; Y65-L183 HydrophobicContact CE1-CG 4.42Å; Y65-L183 HydrophobicContact CE2-CB 4.37Å; Y65-L183 HydrophobicContact CE2-CD1 3.79Å; Y65-L183 HydrophobicContact CE2-CG 3.83Å; Y65-L183 HydrophobicContact CG-CD1 4.2Å; Y65-L183 PolarHBondContact OH-N 3.27Å; Y65-V184 HydrophobicContact CE1-CG2 4.34Å
66	I	98.8	Very high	96.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.4	-178.5	-52.3	171.7	0	0	0	109.7	T97 V99 L140 I150 G151 F157 Y165 L176	I66-T97 HydrophobicContact CG2-CG2 3.64Å; I66-V99 HydrophobicContact CG1-CG2 4.37Å; I66-V99 HydrophobicContact CG2-CG2 4.43Å; I66-L140 HydrophobicContact CD1-CD1 4Å; I66-L140 HydrophobicContact CG1-CD1 4.44Å; I66-I150 HydrophobicContact CD1-CG2 3.76Å; I66-I150 HydrophobicContact CG1-CG2 3.99Å; I66-G151 PolarHBondContact N-O 3.02Å; I66-F157 HydrophobicContact CB-CE2 4.47Å; I66-F157 HydrophobicContact CB-CZ 4.06Å; I66-F157 HydrophobicContact CD1-CZ 4.05Å; I66-F157 HydrophobicContact CG2-CE2 4.2Å; I66-F157 HydrophobicContact CG2-CZ 3.81Å; I66-Y165 HydrophobicContact CD1-CD1 4.24Å; I66-Y165 HydrophobicContact CD1-CE1 3.95Å; I66-L176 HydrophobicContact CD1-CD1 4.31Å
67	I	98.5	Very high	96.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	86.3	-175.2	-47.8	173	0	0	0	108.4	L53 Y65 R84 M85 M88 A98 V100 V184	L53-I67 HydrophobicContact CD2-CD1 3.84Å; Y65-I67 HydrophobicContact CD1-CD1 4.06Å; Y65-I67 HydrophobicContact CD1-CG1 3.59Å; Y65-I67 HydrophobicContact CE1-CD1 4.46Å; Y65-I67 HydrophobicContact CE1-CG1 3.85Å; I67-R84 HydrophobicContact CG2-CB 4.19Å; I67-M85 HydrophobicContact CG2-CB 4.44Å; I67-M88 HydrophobicContact CD1-CB 4.45Å; I67-M88 HydrophobicContact CD1-CG 3.97Å; I67-A98 HydrophobicContact CB-CB 4.09Å; I67-A98 PolarHBondContact N-O 2.92Å; I67-A98 PolarHBondContact O-N 2.86Å; I67-V100 HydrophobicContact CD1-CG2 4.24Å; I67-V184 HydrophobicContact CD1-CG2 3.77Å; I67-V184 HydrophobicContact CG1-CG2 4.22Å; I67-V184 HydrophobicContact CG2-CG2 4.15Å
68	P	97.4	Very high	96.3	Very high	17 Å²	17	31.7 Å²	31.7	11%	0.11	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	150.8	176.6	32	-35.9	0	0	0	111.2	T70 L156 F157	P68-T70 HydrophobicContact CB-CG2 4.22Å; P68-T70 HydrophobicContact CG-CG2 4.13Å; P68-T70 PolarHBondContact O-N 3.43Å; P68-L156 HydrophobicContact CG-CB 3.58Å; P68-L156 HydrophobicContact CG-CD1 4.23Å; P68-F157 HydrophobicContact CG-CD2 4.33Å; P68-F157 HydrophobicContact CG-CE2 4.04Å
69	G	96.3	Very high	96.3	Very high	15 Å²	15	27.8 Å²	27.8	16%	0.155	16%	0.16	C	C	.	.	S	Bend	trans	-77.3	61.3	173	0	0	0	0	0	112.9	G96	G69-G96 PolarHBondContact N-O 2.89Å
70	T	96.7	Very high	96.2	Very high	19 Å²	19	26.4 Å²	26.4	12%	0.117	15%	0.151	C	C	.	.			trans	-148.6	179.2	178.7	-163	0	0	0	0	112	P68 L74 S75 L156	P68-T70 HydrophobicContact CB-CG2 4.22Å; P68-T70 HydrophobicContact CG-CG2 4.13Å; P68-T70 PolarHBondContact O-N 3.43Å; T70-L74 HydrophobicContact CG2-CD2 4.09Å; T70-L74 VanDerWaalsContact OG1-C 3.27Å; T70-L74 VanDerWaalsContact OG1-CA 3.24Å; T70-L74 WeakPolarHBondContact OG1-CA 3.41Å; T70-S75 PolarHBondContact OG1-N 3.01Å; T70-S75 PolarHBondContact OG1-O 3.27Å; T70-L156 HydrophobicContact CG2-CB 4.16Å; T70-L156 WeakPolarHBondContact CG2-O 3.33Å
71	D	97.2	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.			trans	-113.9	-174.8	178	71.9	12.2	0	0	0	112.6	H73 L74 S75 I78 D82 L156	D71-H73 PolarHBondContact O-N 3.15Å; D71-H73 VanDerWaalsContact O-N 3.08Å; D71-H73 VanDerWaalsContact OD1-C 3.28Å; D71-H73 WeakPolarHBondContact OD1-CA 3.32Å; D71-H73 WeakPolarHBondContact OD1-CB 3.26Å; D71-H73 PolarHBondContact OD1-N 2.98Å; D71-L74 PolarHBondContact O-N 2.96Å; D71-L74 VanDerWaalsContact O-N 3.14Å; D71-L74 PolarHBondContact OD1-N 3.46Å; D71-S75 VanDerWaalsContact CG-OG 3.26Å; D71-S75 PolarHBondContact OD1-N 3.19Å; D71-S75 PolarHBondContact OD1-OG 2.65Å; D71-S75 VanDerWaalsContact OD1-OG 3.09Å; D71-S75 VanDerWaalsContact OD2-CB 3.27Å; D71-S75 WeakPolarHBondContact OD2-CB 3.45Å; D71-S75 PolarHBondContact OD2-OG 2.99Å; D71-I78 HydrophobicContact CB-CG2 4.11Å; D71-D82 HydrophobicContact CB-CB 3.78Å; D71-L156 VanDerWaalsContact C-CD2 3.42Å
72	A	97.3	Very high	96.2	Very high	16 Å²	16	20.8 Å²	20.8	13%	0.132	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-4.8	-179.1	0	0	0	0	0	114.8	F155 Y260 N326	A72-F155 WeakPolarHBondContact CA-O 3.38Å; A72-F155 HydrophobicContact CB-CB 3.95Å; A72-F155 HydrophobicContact CB-CD1 4.09Å; A72-F155 HydrophobicContact CB-CG 4.35Å; A72-Y260 PolarHBondContact O-OH 3.28Å; A72-N326 PolarHBondContact O-ND2 3.1Å
73	H	97.7	Very high	96.2	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.009	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	7.8	-179.7	-59	-81.7	0	0	0	112.2	D71 S75 S235 L237 Y258 S259 Y260 Y300	D71-H73 PolarHBondContact O-N 3.15Å; D71-H73 VanDerWaalsContact O-N 3.08Å; D71-H73 VanDerWaalsContact OD1-C 3.28Å; D71-H73 WeakPolarHBondContact OD1-CA 3.32Å; D71-H73 WeakPolarHBondContact OD1-CB 3.26Å; D71-H73 PolarHBondContact OD1-N 2.98Å; H73-S75 PolarHBondContact O-N 3.4Å; H73-S235 WeakPolarHBondContact CB-O 3.5Å; H73-S235 PolarHBondContact ND1-O 2.91Å; H73-L237 HydrophobicContact CB-CD1 4.35Å; H73-L237 HydrophobicContact CB-CD2 3.8Å; H73-L237 HydrophobicContact CB-CG 3.66Å; H73-L237 VanDerWaalsContact CD2-CD2 3.46Å; H73-L237 WeakPolarHBondContact CD2-CD2 3.5Å; H73-L237 VanDerWaalsContact CE1-CD2 3.49Å; H73-L237 WeakPolarHBondContact CE1-CD2 3.41Å; H73-L237 VanDerWaalsContact ND1-CD2 3.29Å; H73-L237 WeakPolarHBondContact ND1-CD2 3.44Å; H73-Y258 AromaticContact CD2-CD1 3.6Å; H73-Y258 AromaticContact NE2-CD1 3.63Å; H73-S259 PolarHBondContact CE1-O 3.26Å; H73-S259 PolarHBondContact ND1-O 2.66Å; H73-Y260 AromaticContact CE1-CD2 3.93Å; H73-Y260 AromaticContact CE1-CE1 3.49Å; H73-Y260 VanDerWaalsContact CE1-CE1 3.49Å; H73-Y260 WeakPolarHBondContact CE1-CE1 3.31Å; H73-Y260 AromaticContact CE1-CE2 3.45Å; H73-Y260 VanDerWaalsContact CE1-CE2 3.45Å; H73-Y260 WeakPolarHBondContact CE1-CE2 3.38Å; H73-Y260 AromaticContact CE1-CZ 3.19Å; H73-Y260 PolarHBondContact CE1-OH 3.34Å; H73-Y260 AromaticContact ND1-CE1 3.57Å; H73-Y260 AromaticContact ND1-CZ 3.67Å; H73-Y260 AromaticContact NE2-CZ 3.9Å; H73-Y300 AromaticContact CE1-CE2 3.75Å; H73-Y300 AromaticContact NE2-CE2 3.43Å; H73-Y300 WeakPolarHBondContact NE2-CE2 3.36Å; H73-Y300 AromaticContact NE2-CZ 3.58Å; H73-Y300 PolarHBondContact NE2-OH 3.29Å
74	L	96.4	Very high	96.3	Very high	23 Å²	23	21.1 Å²	21.1	12%	0.12	12%	0.119	C	C	.	.			trans	60.4	34.3	177.2	-51.5	168.9	0	0	0	112.1	T70 D71 Y324	T70-L74 HydrophobicContact CG2-CD2 4.09Å; T70-L74 VanDerWaalsContact OG1-C 3.27Å; T70-L74 VanDerWaalsContact OG1-CA 3.24Å; T70-L74 WeakPolarHBondContact OG1-CA 3.41Å; D71-L74 PolarHBondContact O-N 2.96Å; D71-L74 VanDerWaalsContact O-N 3.14Å; D71-L74 PolarHBondContact OD1-N 3.46Å; L74-Y324 HydrophobicContact CB-CD1 4.15Å
75	S	94.5	Very high	96.2	Very high	19 Å²	19	21.5 Å²	21.5	13%	0.133	12%	0.121	C	C	.	.			trans	-66.5	145.5	177.4	-50.2	0	0	0	0	111	T70 D71 H73 Y77	T70-S75 PolarHBondContact OG1-N 3.01Å; T70-S75 PolarHBondContact OG1-O 3.27Å; D71-S75 VanDerWaalsContact CG-OG 3.26Å; D71-S75 PolarHBondContact OD1-N 3.19Å; D71-S75 PolarHBondContact OD1-OG 2.65Å; D71-S75 VanDerWaalsContact OD1-OG 3.09Å; D71-S75 VanDerWaalsContact OD2-CB 3.27Å; D71-S75 WeakPolarHBondContact OD2-CB 3.45Å; D71-S75 PolarHBondContact OD2-OG 2.99Å; H73-S75 PolarHBondContact O-N 3.4Å; S75-Y77 WeakPolarHBondContact CB-O 3.33Å
76	E	88.9	Confident	96.1	Very high	64 Å²	64	22.7 Å²	22.7	30%	0.299	13%	0.13	S	C	.	.	S	Bend	trans	-76.1	-55.6	173	177.8	177.4	-177	0	0	111.4	H530	E76-H530 IonicContact OE1-CE1 3.41Å; E76-H530 PolarHBondContact OE1-CE1 2.85Å; E76-H530 IonicContact OE1-ND1 2.84Å; E76-H530 PolarHBondContact OE1-ND1 3.11Å; E76-H530 WeakPolarHBondContact OE2-CB 3.28Å; E76-H530 IonicContact OE2-CG 2.95Å; E76-H530 IonicContact OE2-ND1 3.17Å; E76-H530 PolarHBondContact OE2-ND1 2.79Å
77	Y	91.2	Very high	96.1	Very high	47 Å²	47	24.8 Å²	24.8	18%	0.184	14%	0.14	C	C	.	.	S	Bend	trans	-83.1	137.2	165.3	-64.5	-82.7	0	0	0	108.5	S75 I251 Y253 N254 F413 V529	S75-Y77 WeakPolarHBondContact CB-O 3.33Å; Y77-I251 WeakPolarHBondContact O-CG2 3.3Å; Y77-Y253 HydrophobicContact CD1-CD2 4.46Å; Y77-N254 VanDerWaalsContact CB-ND2 3.31Å; Y77-N254 WeakPolarHBondContact CB-ND2 3.47Å; Y77-N254 WeakPolarHBondContact CD2-ND2 3.49Å; Y77-F413 HydrophobicContact CE1-CB 4.44Å; Y77-F413 WeakPolarHBondContact OH-CB 3.14Å; Y77-V529 HydrophobicContact CE2-CG1 4.22Å
78	I	94.7	Very high	96.1	Very high	40 Å²	40	24.8 Å²	24.8	21%	0.205	14%	0.139	C	C	.	.			trans	-122.5	152.3	-176.7	59.4	-179.2	0	0	0	110.7	D71 D82 A83	D71-I78 HydrophobicContact CB-CG2 4.11Å; I78-D82 HydrophobicContact CB-CB 4.35Å; I78-A83 HydrophobicContact CD1-CB 4.14Å
79	A	95.5	Very high	96.1	Very high	2 Å²	2	24 Å²	24	2%	0.017	13%	0.134	C	C	.	.			trans	-66.8	153.1	170.1	0	0	0	0	0	110.6	R81 D82 A83 D250 I251 Y258	A79-R81 HydrophobicContact CB-CG 3.89Å; A79-R81 PolarHBondContact O-N 3.39Å; A79-D82 PolarHBondContact O-N 3.25Å; A79-A83 PolarHBondContact O-N 3.1Å; A79-D250 VanDerWaalsContact CB-O 3.32Å; A79-D250 WeakPolarHBondContact CB-O 3.27Å; A79-I251 HydrophobicContact CB-CD1 4.08Å; A79-Y258 WeakPolarHBondContact CB-OH 3.44Å
80	P	95.3	Very high	96	Very high	80 Å²	80	23.6 Å²	23.6	52%	0.519	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-52.6	-31.9	176	-29.3	36	0	0	0	114.1	D82 A83 W188 P192	P80-D82 PolarHBondContact O-N 3.36Å; P80-A83 WeakPolarHBondContact O-CB 3.49Å; P80-A83 PolarHBondContact O-N 3.2Å; P80-W188 VanDerWaalsContact O-CH2 3.24Å; P80-W188 WeakPolarHBondContact O-CH2 3.44Å; P80-P192 HydrophobicContact CB-CB 4.39Å; P80-P192 HydrophobicContact CB-CG 4.2Å
81	R	95.5	Very high	95.9	Very high	52 Å²	52	22.7 Å²	22.7	20%	0.196	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-68.6	-18.7	177.2	67.6	-178	-67.1	-93.5	4.2	114.7	A79 R191 P192	A79-R81 HydrophobicContact CB-CG 3.89Å; A79-R81 PolarHBondContact O-N 3.39Å; R81-R191 PolarHBondContact O-NE 2.96Å; R81-R191 PolarHBondContact O-NH2 3.34Å; R81-P192 HydrophobicContact CB-CB 4.16Å; R81-P192 WeakPolarHBondContact CB-O 3.34Å
82	D	97.3	Very high	95.7	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.032	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-104.9	-0.4	179.7	-71.1	-46.4	0	0	0	112.6	D71 I78 A79 P80 R84 R191 Y258	D71-D82 HydrophobicContact CB-CB 3.78Å; I78-D82 HydrophobicContact CB-CB 4.35Å; A79-D82 PolarHBondContact O-N 3.25Å; P80-D82 PolarHBondContact O-N 3.36Å; D82-R84 PolarHBondContact O-N 2.67Å; D82-R84 IonicContact OD1-CZ 3.8Å; D82-R84 IonicContact OD1-NH1 2.66Å; D82-R84 PolarHBondContact OD1-NH1 3.15Å; D82-R84 IonicContact OD1-NH2 3.34Å; D82-R191 IonicContact OD1-NH2 2.7Å; D82-R191 PolarHBondContact OD1-NH2 3.4Å; D82-R191 VanDerWaalsContact OD1-NH2 3.12Å; D82-Y258 PolarHBondContact OD2-OH 3.19Å
83	A	97.1	Very high	95.3	Very high	23 Å²	23	26.3 Å²	26.3	19%	0.19	15%	0.147	C	C	.	.			trans	-72.1	48.6	178	0	0	0	0	0	113.7	I78 A79 P80 M85 A86 F87 W188	I78-A83 HydrophobicContact CD1-CB 4.14Å; A79-A83 PolarHBondContact O-N 3.1Å; P80-A83 WeakPolarHBondContact O-CB 3.49Å; P80-A83 PolarHBondContact O-N 3.2Å; A83-M85 PolarHBondContact O-N 3.43Å; A83-A86 HydrophobicContact CB-CB 4.2Å; A83-A86 PolarHBondContact O-N 3.15Å; A83-F87 PolarHBondContact O-N 3.43Å; A83-W188 HydrophobicContact CB-CH2 4.41Å
84	R	98	Very high	94.9	Very high	16 Å²	16	27.9 Å²	27.9	6%	0.06	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-42.7	-176.8	-67.4	174.1	-179.7	97	-10.7	112.3	I67 D82 A86 F87 M88 N182 V184 D185 W188	I67-R84 HydrophobicContact CG2-CB 4.19Å; D82-R84 PolarHBondContact O-N 2.67Å; D82-R84 IonicContact OD1-CZ 3.8Å; D82-R84 IonicContact OD1-NH1 2.66Å; D82-R84 PolarHBondContact OD1-NH1 3.15Å; D82-R84 IonicContact OD1-NH2 3.34Å; R84-A86 VanDerWaalsContact C-N 3.33Å; R84-A86 PolarHBondContact O-N 3.39Å; R84-F87 PolarHBondContact O-N 3.11Å; R84-M88 WeakPolarHBondContact O-CB 3.49Å; R84-M88 VanDerWaalsContact O-CG 3.31Å; R84-M88 WeakPolarHBondContact O-CG 3.38Å; R84-M88 PolarHBondContact O-N 2.89Å; R84-N182 WeakPolarHBondContact CD-ND2 3.06Å; R84-N182 PolarHBondContact NE-ND2 3Å; R84-V184 HydrophobicContact CB-CB 4.21Å; R84-V184 HydrophobicContact CB-CG1 3.89Å; R84-V184 HydrophobicContact CB-CG2 4.42Å; R84-V184 HydrophobicContact CG-CB 4.23Å; R84-V184 HydrophobicContact CG-CG1 4.06Å; R84-D185 IonicContact CZ-OD1 3.14Å; R84-D185 IonicContact CZ-OD2 2.86Å; R84-D185 IonicContact NE-OD1 3.92Å; R84-D185 PolarHBondContact NE-OD1 3.29Å; R84-D185 IonicContact NE-OD2 2.78Å; R84-D185 IonicContact NH2-OD1 3.89Å; R84-D185 PolarHBondContact NH2-OD1 2.95Å; R84-D185 IonicContact NH2-OD2 2.63Å; R84-D185 PolarHBondContact NH2-OD2 2.87Å; R84-W188 HydrophobicContact CG-CE3 4.35Å; R84-W188 HydrophobicContact CG-CZ3 4.03Å
85	M	97.6	Very high	94.6	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.039	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-45.8	175.1	-179.5	-173.5	69.5	0	0	110.6	I67 A83 M88 T89 F91 G96 A98 L107	I67-M85 HydrophobicContact CG2-CB 4.44Å; A83-M85 PolarHBondContact O-N 3.43Å; M85-M88 PolarHBondContact O-N 3.28Å; M85-T89 HydrophobicContact CG-CG2 4.23Å; M85-T89 WeakPolarHBondContact O-CB 3.46Å; M85-T89 VanDerWaalsContact O-CG2 3.28Å; M85-T89 WeakPolarHBondContact O-CG2 3.5Å; M85-T89 PolarHBondContact O-N 3.27Å; M85-T89 PolarHBondContact O-OG1 2.92Å; M85-F91 HydrophobicContact CE-CD1 3.72Å; M85-F91 HydrophobicContact CE-CE1 3.81Å; M85-F91 HydrophobicContact SD-CD1 4.38Å; M85-G96 VanDerWaalsContact SD-O 3.37Å; M85-A98 HydrophobicContact CG-CB 4.16Å; M85-L107 HydrophobicContact CG-CD1 4.1Å; M85-L107 HydrophobicContact SD-CD1 3.63Å
86	A	97	Very high	94.6	Very high	25 Å²	25	27.6 Å²	27.6	21%	0.207	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-41.9	178.7	0	0	0	0	0	112.2	A83 R84 M88 T89 G90 F91 T92	A83-A86 HydrophobicContact CB-CB 4.2Å; A83-A86 PolarHBondContact O-N 3.15Å; R84-A86 VanDerWaalsContact C-N 3.33Å; R84-A86 PolarHBondContact O-N 3.39Å; A86-M88 VanDerWaalsContact C-N 3.29Å; A86-M88 PolarHBondContact O-N 3.39Å; A86-T89 PolarHBondContact O-N 3.46Å; A86-G90 VanDerWaalsContact O-CA 3.32Å; A86-G90 WeakPolarHBondContact O-CA 3.5Å; A86-G90 PolarHBondContact O-N 2.82Å; A86-F91 WeakPolarHBondContact CA-O 3.36Å; A86-F91 WeakPolarHBondContact CB-O 3.25Å; A86-T92 HydrophobicContact CB-CG2 4.38Å
87	F	97.8	Very high	95.1	Very high	46 Å²	46	26 Å²	26	20%	0.202	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-41	173.7	168.3	-99.6	0	0	0	112.4	Q49 A83 R84 V184 V187 W188	Q49-F87 HydrophobicContact CB-CE1 4.46Å; Q49-F87 HydrophobicContact CG-CE1 3.91Å; Q49-F87 HydrophobicContact CG-CE2 4.15Å; Q49-F87 HydrophobicContact CG-CZ 3.66Å; A83-F87 PolarHBondContact O-N 3.43Å; R84-F87 PolarHBondContact O-N 3.11Å; F87-V184 HydrophobicContact CD1-CG1 3.62Å; F87-V184 HydrophobicContact CE1-CG1 4.07Å; F87-V187 HydrophobicContact CE1-CG2 4.09Å; F87-W188 HydrophobicContact CB-CD2 4.11Å; F87-W188 HydrophobicContact CB-CE3 4.12Å; F87-W188 HydrophobicContact CB-CH2 3.99Å; F87-W188 HydrophobicContact CB-CZ2 4Å; F87-W188 HydrophobicContact CB-CZ3 4.07Å; F87-W188 HydrophobicContact CD1-CB 4.22Å; F87-W188 HydrophobicContact CD1-CD2 4.12Å; F87-W188 HydrophobicContact CD1-CE3 4.32Å; F87-W188 HydrophobicContact CD1-CG 4.11Å; F87-W188 AromaticContact CD2-CD1 3.63Å; F87-W188 AromaticContact CD2-CD2 3.87Å; F87-W188 HydrophobicContact CD2-CD2 3.87Å; F87-W188 AromaticContact CD2-CE2 3.7Å; F87-W188 AromaticContact CD2-CG 3.83Å; F87-W188 HydrophobicContact CD2-CG 3.83Å; F87-W188 HydrophobicContact CD2-CZ2 4.33Å; F87-W188 AromaticContact CD2-NE1 3.55Å; F87-W188 HydrophobicContact CE1-CB 3.87Å; F87-W188 HydrophobicContact CE1-CG 4.09Å; F87-W188 HydrophobicContact CE2-CB 4.27Å; F87-W188 AromaticContact CE2-CD1 3.48Å; F87-W188 VanDerWaalsContact CE2-CD1 3.48Å; F87-W188 HydrophobicContact CE2-CD2 4.35Å; F87-W188 AromaticContact CE2-CG 3.8Å; F87-W188 HydrophobicContact CE2-CG 3.8Å; F87-W188 AromaticContact CE2-NE1 3.85Å; F87-W188 AromaticContact CG-CD2 3.74Å; F87-W188 HydrophobicContact CG-CD2 3.74Å; F87-W188 AromaticContact CG-CE2 3.88Å; F87-W188 HydrophobicContact CG-CE3 4.11Å; F87-W188 AromaticContact CG-CG 3.98Å; F87-W188 HydrophobicContact CG-CG 3.98Å; F87-W188 HydrophobicContact CG-CZ2 4.34Å; F87-W188 HydrophobicContact CZ-CB 3.89Å; F87-W188 AromaticContact CZ-CD1 3.98Å; F87-W188 AromaticContact CZ-CG 3.93Å; F87-W188 HydrophobicContact CZ-CG 3.93Å
88	M	98	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-77.7	-33.1	-178.1	-71.5	-58.5	-49.1	0	0	113.9	T46 Q49 L50 L53 I67 R84 M85 A86 W125 V184 V187	T46-M88 VanDerWaalsContact CB-O 3.29Å; T46-M88 WeakPolarHBondContact CB-O 3.29Å; T46-M88 WeakPolarHBondContact CG2-O 3.27Å; Q49-M88 HydrophobicContact CB-CE 3.84Å; Q49-M88 HydrophobicContact CB-SD 4.01Å; L50-M88 HydrophobicContact CD2-CE 4.24Å; L53-M88 HydrophobicContact CB-CE 3.98Å; L53-M88 HydrophobicContact CD2-CE 3.54Å; L53-M88 HydrophobicContact CD2-SD 4.31Å; L53-M88 HydrophobicContact CG-CE 4.37Å; I67-M88 HydrophobicContact CD1-CB 4.45Å; I67-M88 HydrophobicContact CD1-CG 3.97Å; R84-M88 WeakPolarHBondContact O-CB 3.49Å; R84-M88 VanDerWaalsContact O-CG 3.31Å; R84-M88 WeakPolarHBondContact O-CG 3.38Å; R84-M88 PolarHBondContact O-N 2.89Å; M85-M88 PolarHBondContact O-N 3.28Å; A86-M88 VanDerWaalsContact C-N 3.29Å; A86-M88 PolarHBondContact O-N 3.39Å; M88-W125 HydrophobicContact CB-CH2 4.49Å; M88-W125 HydrophobicContact CB-CZ2 4.25Å; M88-W125 WeakPolarHBondContact O-CZ2 3.41Å; M88-W125 PolarHBondContact O-NE1 2.71Å; M88-V184 HydrophobicContact CG-CB 4.5Å; M88-V184 HydrophobicContact CG-CG1 3.77Å; M88-V184 HydrophobicContact CG-CG2 3.88Å; M88-V184 HydrophobicContact SD-CG1 3.93Å; M88-V184 HydrophobicContact SD-CG2 4.26Å; M88-V187 HydrophobicContact SD-CG2 4.43Å
89	T	97.6	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-109.9	-21.9	-168.7	62.4	0	0	0	0	114	M85 A86 F91 A98 L107 W125	M85-T89 HydrophobicContact CG-CG2 4.23Å; M85-T89 WeakPolarHBondContact O-CB 3.46Å; M85-T89 VanDerWaalsContact O-CG2 3.28Å; M85-T89 WeakPolarHBondContact O-CG2 3.5Å; M85-T89 PolarHBondContact O-N 3.27Å; M85-T89 PolarHBondContact O-OG1 2.92Å; A86-T89 PolarHBondContact O-N 3.46Å; T89-F91 PolarHBondContact O-N 3.34Å; T89-F91 WeakPolarHBondContact OG1-CB 3.29Å; T89-F91 PolarHBondContact OG1-N 3.43Å; T89-A98 HydrophobicContact CG2-CB 3.82Å; T89-L107 HydrophobicContact CG2-CD1 4.37Å; T89-W125 HydrophobicContact CG2-CD2 3.95Å; T89-W125 HydrophobicContact CG2-CE3 3.84Å; T89-W125 HydrophobicContact CG2-CH2 3.44Å; T89-W125 VanDerWaalsContact CG2-CH2 3.44Å; T89-W125 HydrophobicContact CG2-CZ2 3.54Å; T89-W125 HydrophobicContact CG2-CZ3 3.6Å
90	G	95.4	Very high	95.8	Very high	7 Å²	7	21.8 Å²	21.8	7%	0.072	14%	0.137	C	C	.	.	S	Bend	trans	78.8	-14.3	-164.6	0	0	0	0	0	114.5	A86	A86-G90 VanDerWaalsContact O-CA 3.32Å; A86-G90 WeakPolarHBondContact O-CA 3.5Å; A86-G90 PolarHBondContact O-N 2.82Å
91	F	95.1	Very high	95.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.114	C	C	.	.			trans	-79	127	-178.9	167.6	-110.1	0	0	0	111.7	M85 A86 T89 A95 L107 T109 Y113 Q116 A117 M121	M85-F91 HydrophobicContact CE-CD1 3.72Å; M85-F91 HydrophobicContact CE-CE1 3.81Å; M85-F91 HydrophobicContact SD-CD1 4.38Å; A86-F91 WeakPolarHBondContact CA-O 3.36Å; A86-F91 WeakPolarHBondContact CB-O 3.25Å; T89-F91 PolarHBondContact O-N 3.34Å; T89-F91 WeakPolarHBondContact OG1-CB 3.29Å; T89-F91 PolarHBondContact OG1-N 3.43Å; F91-A95 WeakPolarHBondContact CE1-O 3.34Å; F91-L107 HydrophobicContact CB-CD2 3.81Å; F91-L107 HydrophobicContact CD1-CD1 4.19Å; F91-L107 HydrophobicContact CD1-CD2 3.4Å; F91-L107 VanDerWaalsContact CD1-CD2 3.4Å; F91-L107 HydrophobicContact CD1-CG 4.4Å; F91-L107 HydrophobicContact CD2-CD2 4.43Å; F91-L107 HydrophobicContact CE1-CD2 4.01Å; F91-L107 HydrophobicContact CG-CD2 3.62Å; F91-T109 HydrophobicContact CZ-CG2 4.32Å; F91-Y113 HydrophobicContact CE2-CD1 4.41Å; F91-Y113 HydrophobicContact CE2-CG 4.22Å; F91-Y113 HydrophobicContact CZ-CD1 4.32Å; F91-Y113 HydrophobicContact CZ-CD2 4.27Å; F91-Y113 AromaticContact CZ-CG 3.83Å; F91-Y113 HydrophobicContact CZ-CG 3.83Å; F91-Q116 HydrophobicContact CD2-CG 4.27Å; F91-Q116 HydrophobicContact CE2-CB 4.41Å; F91-Q116 HydrophobicContact CE2-CG 4.09Å; F91-A117 HydrophobicContact CD2-CB 3.81Å; F91-A117 HydrophobicContact CE2-CB 3.98Å; F91-A117 HydrophobicContact CG-CB 4.42Å; F91-M121 HydrophobicContact CB-CG 4.06Å
92	T	92.1	Very high	96	Very high	86 Å²	86	18.2 Å²	18.2	53%	0.528	12%	0.116	S	C	.	.			trans	-110.6	8.8	-171.3	50.2	0	0	0	0	114.2	A86 Q116 Q120	A86-T92 HydrophobicContact CB-CG2 4.38Å; T92-Q116 PolarHBondContact OG1-NE2 3.03Å; T92-Q116 VanDerWaalsContact OG1-NE2 3.15Å; T92-Q120 VanDerWaalsContact OG1-CD 3.26Å; T92-Q120 PolarHBondContact OG1-NE2 3.01Å; T92-Q120 PolarHBondContact OG1-OE1 3.49Å
93	G	89.6	Confident	95.8	Very high	7 Å²	7	21.9 Å²	21.9	7%	0.072	14%	0.139	C	C	.	.			trans	-67.1	153.1	175.4	0	0	0	0	0	111.9	A95	G93-A95 VanDerWaalsContact C-N 3.27Å; G93-A95 PolarHBondContact O-N 2.93Å
94	S	87.9	Confident	95.8	Very high	34 Å²	34	24.3 Å²	24.3	24%	0.238	15%	0.145	C	C	.	.	S	Bend	trans	-74.5	-12.4	-173.8	74.1	0	0	0	0	114.7	Y113	S94-Y113 WeakPolarHBondContact CB-OH 3.26Å; S94-Y113 PolarHBondContact N-OH 2.89Å; S94-Y113 PolarHBondContact OG-OH 3.35Å
95	A	90.8	Very high	95.8	Very high	23 Å²	23	23.5 Å²	23.5	19%	0.19	14%	0.142	C	C	.	.	S	Bend	trans	-127.4	131.8	-179.6	0	0	0	0	0	110.3	F91 G93 T109 Y113	F91-A95 WeakPolarHBondContact CE1-O 3.34Å; G93-A95 VanDerWaalsContact C-N 3.27Å; G93-A95 PolarHBondContact O-N 2.93Å; A95-T109 PolarHBondContact O-OG1 2.97Å; A95-Y113 HydrophobicContact CB-CD2 4.29Å; A95-Y113 HydrophobicContact CB-CE2 3.91Å
96	G	95.3	Very high	95.9	Very high	14 Å²	14	23.1 Å²	23.1	14%	0.144	14%	0.14	C	C	.	.			trans	168.5	165.6	170.2	0	0	0	0	0	113.7	G69 M85 W108	G69-G96 PolarHBondContact N-O 2.89Å; M85-G96 VanDerWaalsContact SD-O 3.37Å; G96-W108 CarbonylContact C-O 3.58Å; G96-W108 WeakPolarHBondContact CA-O 3.48Å
97	T	98.3	Very high	95.9	Very high	30 Å²	30	22 Å²	22	18%	0.184	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.3	174.7	-61.5	0	0	0	0	108.9	I66 W108	I66-T97 HydrophobicContact CG2-CG2 3.64Å; T97-W108 PolarHBondContact N-O 3.49Å; T97-W108 PolarHBondContact O-N 3.2Å
98	A	98.6	Very high	96	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	144	171.6	0	0	0	0	0	110.7	I67 M85 T89 A106 L107 W125	I67-A98 HydrophobicContact CB-CB 4.09Å; I67-A98 PolarHBondContact N-O 2.92Å; I67-A98 PolarHBondContact O-N 2.86Å; M85-A98 HydrophobicContact CG-CB 4.16Å; T89-A98 HydrophobicContact CG2-CB 3.82Å; A98-A106 CarbonylContact C-O 3.5Å; A98-A106 WeakPolarHBondContact CA-O 3.32Å; A98-L107 HydrophobicContact CB-CD1 4.25Å; A98-W125 HydrophobicContact CB-CH2 3.81Å; A98-W125 HydrophobicContact CB-CZ3 3.58Å
99	V	98.8	Very high	95.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.1	170.7	-175.4	0	0	0	0	109.2	A64 Y65 I66 A105 A106 W108 V136 W139 L140	A64-V99 HydrophobicContact CB-CG1 4.36Å; Y65-V99 WeakPolarHBondContact O-CA 3.46Å; I66-V99 HydrophobicContact CG1-CG2 4.37Å; I66-V99 HydrophobicContact CG2-CG2 4.43Å; V99-A105 WeakPolarHBondContact O-CA 3.25Å; V99-A106 PolarHBondContact N-O 2.93Å; V99-A106 PolarHBondContact O-N 3.06Å; V99-W108 HydrophobicContact CB-CH2 4.48Å; V99-W108 HydrophobicContact CB-CZ3 3.86Å; V99-W108 HydrophobicContact CG2-CE3 4.24Å; V99-W108 HydrophobicContact CG2-CH2 4.32Å; V99-W108 HydrophobicContact CG2-CZ3 3.63Å; V99-V136 HydrophobicContact CG2-CG1 3.64Å; V99-W139 HydrophobicContact CB-CZ3 4.05Å; V99-W139 HydrophobicContact CG1-CE3 4.19Å; V99-W139 HydrophobicContact CG1-CH2 4.38Å; V99-W139 HydrophobicContact CG1-CZ3 3.55Å; V99-L140 HydrophobicContact CG1-CD2 3.69Å; V99-L140 HydrophobicContact CG1-CG 4.44Å
100	V	98.8	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.8	178.2	179.5	0	0	0	0	109.4	L50 L53 R54 M57 A64 Y65 I67 A105 W125	L50-V100 HydrophobicContact CD2-CB 4.47Å; L50-V100 HydrophobicContact CD2-CG1 3.84Å; L50-V100 HydrophobicContact CD2-CG2 3.74Å; L53-V100 HydrophobicContact CD2-CB 4.01Å; L53-V100 HydrophobicContact CD2-CG1 4.11Å; L53-V100 HydrophobicContact CD2-CG2 3.9Å; R54-V100 HydrophobicContact CG-CG1 4.23Å; M57-V100 WeakPolarHBondContact CE-O 3.12Å; M57-V100 HydrophobicContact SD-CG1 4.35Å; A64-V100 CarbonylContact C-O 3.44Å; A64-V100 VanDerWaalsContact CA-O 3.22Å; A64-V100 WeakPolarHBondContact CA-O 3.28Å; Y65-V100 PolarHBondContact N-O 3.32Å; Y65-V100 PolarHBondContact O-N 2.89Å; I67-V100 HydrophobicContact CD1-CG2 4.24Å; V100-A105 HydrophobicContact CG2-CB 4.32Å; V100-W125 HydrophobicContact CG2-CH2 3.62Å; V100-W125 HydrophobicContact CG2-CZ2 4.33Å; V100-W125 HydrophobicContact CG2-CZ3 4.29Å
101	T	98.4	Very high	95	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	179.3	167.3	74.8	0	0	0	0	109.8	R54 S63 A64 T103 K104 W139 E143	R54-T101 PolarHBondContact NE-O 3.29Å; S63-T101 WeakPolarHBondContact O-CA 3.4Å; A64-T101 HydrophobicContact CB-CG2 3.97Å; T101-T103 PolarHBondContact O-N 3.19Å; T101-T103 VanDerWaalsContact O-N 3.14Å; T101-T103 PolarHBondContact OG1-N 3.3Å; T101-K104 PolarHBondContact N-O 3.04Å; T101-K104 PolarHBondContact OG1-N 2.78Å; T101-K104 PolarHBondContact OG1-O 2.94Å; T101-W139 HydrophobicContact CG2-CH2 3.62Å; T101-W139 HydrophobicContact CG2-CZ3 3.63Å; T101-E143 HydrophobicContact CG2-CB 4.1Å
102	Q	96	Very high	94.5	Very high	53 Å²	53	25.9 Å²	25.9	25%	0.248	15%	0.152	C	C	.	.	S	Bend	trans	-61.7	-18.7	174.6	-64.5	-62.3	-15.7	0	0	113.6	T28 R54 V62	T28-Q102 PolarHBondContact OG1-O 2.89Å; R54-Q102 PolarHBondContact NE-O 3.25Å; V62-Q102 PolarHBondContact O-NE2 3.25Å
103	T	94.3	Very high	94.4	Very high	83 Å²	83	22.3 Å²	22.3	51%	0.509	13%	0.128	S	C	.	.	S	Bend	trans	-131.8	-21.3	-173.5	55.4	0	0	0	0	114.7	T28 R54 T101	T28-T103 HydrophobicContact CG2-CG2 4.2Å; R54-T103 VanDerWaalsContact NH2-C 3.33Å; R54-T103 PolarHBondContact NH2-O 3.3Å; T101-T103 PolarHBondContact O-N 3.19Å; T101-T103 VanDerWaalsContact O-N 3.14Å; T101-T103 PolarHBondContact OG1-N 3.3Å
104	K	97.1	Very high	94.4	Very high	73 Å²	73	25.8 Å²	25.8	32%	0.317	14%	0.14	S	C	.	.			trans	-128.4	165	-178.4	-60.9	-167.4	-168.8	166.7	0	112.2	R54 T101 W139 E143	R54-K104 PolarHBondContact NH2-O 2.87Å; T101-K104 PolarHBondContact N-O 3.04Å; T101-K104 PolarHBondContact OG1-N 2.78Å; T101-K104 PolarHBondContact OG1-O 2.94Å; K104-W139 HydrophobicContact CB-CH2 4.23Å; K104-W139 HydrophobicContact CB-CZ2 4.04Å; K104-W139 HydrophobicContact CD-CZ2 4.45Å; K104-E143 WeakPolarHBondContact CD-OE2 3.2Å; K104-E143 WeakPolarHBondContact CE-OE2 3.46Å; K104-E143 IonicContact NZ-OE1 2.82Å; K104-E143 PolarHBondContact NZ-OE1 3.2Å; K104-E143 IonicContact NZ-OE2 3.9Å; K104-E143 PolarHBondContact NZ-OE2 2.98Å
105	A	98.3	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.4	171	0	0	0	0	0	109.2	L50 V99 V100 W125 E126	L50-A105 HydrophobicContact CD1-CB 4.31Å; L50-A105 HydrophobicContact CD2-CB 3.89Å; V99-A105 WeakPolarHBondContact O-CA 3.25Å; V100-A105 HydrophobicContact CG2-CB 4.32Å; A105-W125 HydrophobicContact CB-CD2 3.82Å; A105-W125 HydrophobicContact CB-CE3 3.68Å; A105-W125 HydrophobicContact CB-CG 4.48Å; A105-W125 HydrophobicContact CB-CH2 4.03Å; A105-W125 HydrophobicContact CB-CZ2 4.16Å; A105-W125 HydrophobicContact CB-CZ3 3.79Å; A105-W125 WeakPolarHBondContact O-CA 3.43Å; A105-E126 PolarHBondContact O-N 3.38Å
106	A	98.4	Very high	94	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.1	-178.9	0	0	0	0	0	111.2	A98 V99 W108 W125 E126 Q128 W139	A98-A106 CarbonylContact C-O 3.5Å; A98-A106 WeakPolarHBondContact CA-O 3.32Å; V99-A106 PolarHBondContact N-O 2.93Å; V99-A106 PolarHBondContact O-N 3.06Å; A106-W108 HydrophobicContact CB-CE3 4.26Å; A106-W108 HydrophobicContact CB-CH2 3.58Å; A106-W108 HydrophobicContact CB-CZ3 3.4Å; A106-W125 WeakPolarHBondContact O-CZ3 3.3Å; A106-E126 CarbonylContact C-O 3.5Å; A106-E126 VanDerWaalsContact CA-O 3.26Å; A106-E126 WeakPolarHBondContact CA-O 3.35Å; A106-E126 HydrophobicContact CB-CB 4.14Å; A106-Q128 HydrophobicContact CB-CG 4.22Å; A106-W139 HydrophobicContact CB-CH2 4.24Å; A106-W139 HydrophobicContact CB-CZ2 3.7Å
107	L	98.5	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127	177.1	176.2	74.3	0	0	0	109.6	M85 T89 F91 A98 A117 M121 W125 E126 Q128	M85-L107 HydrophobicContact CG-CD1 4.1Å; M85-L107 HydrophobicContact SD-CD1 3.63Å; T89-L107 HydrophobicContact CG2-CD1 4.37Å; F91-L107 HydrophobicContact CB-CD2 3.81Å; F91-L107 HydrophobicContact CD1-CD1 4.19Å; F91-L107 HydrophobicContact CD1-CD2 3.4Å; F91-L107 VanDerWaalsContact CD1-CD2 3.4Å; F91-L107 HydrophobicContact CD1-CG 4.4Å; F91-L107 HydrophobicContact CD2-CD2 4.43Å; F91-L107 HydrophobicContact CE1-CD2 4.01Å; F91-L107 HydrophobicContact CG-CD2 3.62Å; A98-L107 HydrophobicContact CB-CD1 4.25Å; L107-A117 HydrophobicContact CD2-CB 4.23Å; L107-M121 HydrophobicContact CB-CE 4.34Å; L107-M121 HydrophobicContact CB-SD 3.68Å; L107-M121 HydrophobicContact CD2-CE 4.08Å; L107-M121 HydrophobicContact CD2-CG 4.44Å; L107-M121 HydrophobicContact CD2-SD 3.33Å; L107-M121 WeakPolarHBondContact CD2-SD 3.41Å; L107-M121 HydrophobicContact CG-SD 4.13Å; L107-W125 HydrophobicContact CB-CE3 4.31Å; L107-E126 PolarHBondContact N-O 2.89Å; L107-Q128 PolarHBondContact O-N 3.05Å
108	W	98.3	Very high	93.4	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.5	170.1	-75.8	-103.4	0	0	0	109.7	G96 T97 V99 A106 Q128 D130 S135 V136 W139	G96-W108 CarbonylContact C-O 3.58Å; G96-W108 WeakPolarHBondContact CA-O 3.48Å; T97-W108 PolarHBondContact N-O 3.49Å; T97-W108 PolarHBondContact O-N 3.2Å; V99-W108 HydrophobicContact CB-CH2 4.48Å; V99-W108 HydrophobicContact CB-CZ3 3.86Å; V99-W108 HydrophobicContact CG2-CE3 4.24Å; V99-W108 HydrophobicContact CG2-CH2 4.32Å; V99-W108 HydrophobicContact CG2-CZ3 3.63Å; A106-W108 HydrophobicContact CB-CE3 4.26Å; A106-W108 HydrophobicContact CB-CH2 3.58Å; A106-W108 HydrophobicContact CB-CZ3 3.4Å; W108-Q128 WeakPolarHBondContact CA-O 3.48Å; W108-Q128 VanDerWaalsContact CD1-CB 3.47Å; W108-Q128 HydrophobicContact CD2-CB 3.7Å; W108-Q128 HydrophobicContact CD2-CG 3.87Å; W108-Q128 HydrophobicContact CE3-CB 4.5Å; W108-Q128 HydrophobicContact CE3-CG 4.32Å; W108-Q128 HydrophobicContact CG-CB 3.67Å; W108-Q128 HydrophobicContact CG-CG 4.39Å; W108-Q128 HydrophobicContact CH2-CG 4.13Å; W108-Q128 HydrophobicContact CZ2-CB 4.22Å; W108-Q128 HydrophobicContact CZ2-CG 3.66Å; W108-Q128 HydrophobicContact CZ3-CG 4.44Å; W108-D130 VanDerWaalsContact CB-O 3.27Å; W108-D130 WeakPolarHBondContact CB-O 3.41Å; W108-S135 PolarHBondContact NE1-OG 2.86Å; W108-V136 HydrophobicContact CB-CG2 4.4Å; W108-V136 HydrophobicContact CD2-CG2 3.71Å; W108-V136 HydrophobicContact CE3-CG2 4.21Å; W108-V136 HydrophobicContact CG-CG2 3.77Å; W108-V136 HydrophobicContact CH2-CG1 4.48Å; W108-V136 HydrophobicContact CZ2-CG2 4.48Å; W108-V136 HydrophobicContact CZ3-CG1 4.47Å; W108-W139 HydrophobicContact CH2-CB 3.83Å; W108-W139 AromaticContact CH2-CD2 3.56Å; W108-W139 HydrophobicContact CH2-CD2 3.56Å; W108-W139 AromaticContact CH2-CE3 3.82Å; W108-W139 HydrophobicContact CH2-CE3 3.82Å; W108-W139 AromaticContact CH2-CG 3.56Å; W108-W139 HydrophobicContact CH2-CG 3.56Å; W108-W139 HydrophobicContact CZ2-CB 3.51Å; W108-W139 HydrophobicContact CZ2-CD2 4.16Å; W108-W139 AromaticContact CZ2-CG 3.64Å; W108-W139 HydrophobicContact CZ2-CG 3.64Å
109	T	95.3	Very high	92.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.			trans	-154.4	158.5	172.2	-174.6	0	0	0	0	110.8	F91 A95 Y113 W114 A117 L127 Q128 D130 V131	F91-T109 HydrophobicContact CZ-CG2 4.32Å; A95-T109 PolarHBondContact O-OG1 2.97Å; T109-Y113 WeakPolarHBondContact OG1-CB 3.38Å; T109-Y113 WeakPolarHBondContact OG1-CD2 3.43Å; T109-W114 PolarHBondContact O-NE1 2.77Å; T109-A117 HydrophobicContact CG2-CB 4.25Å; T109-L127 HydrophobicContact CG2-CD1 3.83Å; T109-Q128 PolarHBondContact N-O 2.93Å; T109-D130 PolarHBondContact N-O 3.44Å; T109-V131 VanDerWaalsContact C-CG1 3.42Å
110	D	90.3	Very high	92.4	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.134	18%	0.179	C	C	.	.			trans	-80.8	173.4	179.5	65.8	74.1	0	0	0	113.1	R112 Y113 W114 V131	D110-R112 VanDerWaalsContact CG-NE 3.29Å; D110-R112 PolarHBondContact O-N 2.85Å; D110-R112 WeakPolarHBondContact OD1-CB 3.47Å; D110-R112 WeakPolarHBondContact OD1-CD 3.43Å; D110-R112 WeakPolarHBondContact OD1-CG 3.42Å; D110-R112 IonicContact OD1-CZ 3.12Å; D110-R112 PolarHBondContact OD1-N 3.12Å; D110-R112 IonicContact OD1-NE 2.74Å; D110-R112 PolarHBondContact OD1-NE 3.14Å; D110-R112 IonicContact OD1-NH2 3.59Å; D110-R112 IonicContact OD2-CZ 2.77Å; D110-R112 IonicContact OD2-NE 3.34Å; D110-R112 PolarHBondContact OD2-NE 2.83Å; D110-R112 IonicContact OD2-NH2 3.55Å; D110-R112 PolarHBondContact OD2-NH2 2.77Å; D110-Y113 PolarHBondContact O-N 2.63Å; D110-W114 VanDerWaalsContact C-NE1 3.29Å; D110-W114 VanDerWaalsContact O-CD1 3.27Å; D110-W114 PolarHBondContact O-NE1 2.92Å; D110-V131 HydrophobicContact CB-CG1 3.63Å
111	S	86	Confident	92.2	Very high	53 Å²	53	38.2 Å²	38.2	37%	0.371	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.4	-174.4	68.2	0	0	0	0	115.5	Y113 W114	S111-Y113 PolarHBondContact O-N 3.05Å; S111-W114 VanDerWaalsContact CA-CE2 3.43Å
112	R	84.2	Confident	91.9	Very high	56 Å²	56	38.2 Å²	38.2	21%	0.211	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.2	175.7	-58	173.8	-70.5	176.7	2	111.9	D110 A426 H427	D110-R112 VanDerWaalsContact CG-NE 3.29Å; D110-R112 PolarHBondContact O-N 2.85Å; D110-R112 WeakPolarHBondContact OD1-CB 3.47Å; D110-R112 WeakPolarHBondContact OD1-CD 3.43Å; D110-R112 WeakPolarHBondContact OD1-CG 3.42Å; D110-R112 IonicContact OD1-CZ 3.12Å; D110-R112 PolarHBondContact OD1-N 3.12Å; D110-R112 IonicContact OD1-NE 2.74Å; D110-R112 PolarHBondContact OD1-NE 3.14Å; D110-R112 IonicContact OD1-NH2 3.59Å; D110-R112 IonicContact OD2-CZ 2.77Å; D110-R112 IonicContact OD2-NE 3.34Å; D110-R112 PolarHBondContact OD2-NE 2.83Å; D110-R112 IonicContact OD2-NH2 3.55Å; D110-R112 PolarHBondContact OD2-NH2 2.77Å; R112-A426 HydrophobicContact CB-CB 4.43Å; R112-A426 HydrophobicContact CG-CB 4.08Å; R112-H427 WeakPolarHBondContact CD-NE2 3.38Å; R112-H427 PolarHBondContact NH1-CE1 3.47Å; R112-H427 PolarHBondContact NH1-NE2 3.3Å
113	Y	89.3	Confident	91.6	Very high	10 Å²	10	36.9 Å²	36.9	4%	0.039	18%	0.177	C	C	.	.	S	Bend	trans	-125.1	-0.3	-164.6	-64	-56.9	0	0	0	115.6	F91 S94 A95 T109 D110 S111 V115 Q116 A117 H427	F91-Y113 HydrophobicContact CE2-CD1 4.41Å; F91-Y113 HydrophobicContact CE2-CG 4.22Å; F91-Y113 HydrophobicContact CZ-CD1 4.32Å; F91-Y113 HydrophobicContact CZ-CD2 4.27Å; F91-Y113 AromaticContact CZ-CG 3.83Å; F91-Y113 HydrophobicContact CZ-CG 3.83Å; S94-Y113 WeakPolarHBondContact CB-OH 3.26Å; S94-Y113 PolarHBondContact N-OH 2.89Å; S94-Y113 PolarHBondContact OG-OH 3.35Å; A95-Y113 HydrophobicContact CB-CD2 4.29Å; A95-Y113 HydrophobicContact CB-CE2 3.91Å; T109-Y113 WeakPolarHBondContact OG1-CB 3.38Å; T109-Y113 WeakPolarHBondContact OG1-CD2 3.43Å; D110-Y113 PolarHBondContact O-N 2.63Å; S111-Y113 PolarHBondContact O-N 3.05Å; Y113-V115 PolarHBondContact O-N 3.45Å; Y113-Q116 PolarHBondContact O-N 2.89Å; Y113-Q116 VanDerWaalsContact O-N 3.13Å; Y113-A117 WeakPolarHBondContact O-CB 3.42Å; Y113-A117 PolarHBondContact O-N 2.68Å; Y113-H427 HydrophobicContact CE1-CB 3.72Å; Y113-H427 AromaticContact CZ-ND1 3.52Å; Y113-H427 PolarHBondContact OH-ND1 3.47Å
114	W	89.1	Confident	91.6	Very high	81 Å²	81	33.5 Å²	33.5	31%	0.307	16%	0.156	S	C	.	.	H	α-helix	trans	-57	-47.6	-176.7	-63.3	-24	0	0	0	113.2	T109 D110 S111 Q116 A117 E118 L127 K129	T109-W114 PolarHBondContact O-NE1 2.77Å; D110-W114 VanDerWaalsContact C-NE1 3.29Å; D110-W114 VanDerWaalsContact O-CD1 3.27Å; D110-W114 PolarHBondContact O-NE1 2.92Å; S111-W114 VanDerWaalsContact CA-CE2 3.43Å; W114-Q116 VanDerWaalsContact C-N 3.32Å; W114-Q116 PolarHBondContact O-N 3.33Å; W114-A117 PolarHBondContact O-N 2.78Å; W114-E118 WeakPolarHBondContact O-CG 3.41Å; W114-E118 PolarHBondContact O-N 2.91Å; W114-L127 HydrophobicContact CB-CD2 4.38Å; W114-K129 HydrophobicContact CD2-CB 4.11Å; W114-K129 HydrophobicContact CD2-CD 3.82Å; W114-K129 HydrophobicContact CD2-CG 3.89Å; W114-K129 HydrophobicContact CE3-CD 4.06Å; W114-K129 HydrophobicContact CG-CD 4.04Å; W114-K129 HydrophobicContact CG-CG 3.92Å; W114-K129 HydrophobicContact CH2-CB 4.45Å; W114-K129 HydrophobicContact CZ2-CB 3.75Å; W114-K129 HydrophobicContact CZ2-CG 4.46Å
115	V	83.8	Confident	91.6	Very high	40 Å²	40	30.8 Å²	30.8	24%	0.242	14%	0.144	C	C	.	.	H	α-helix	trans	-65.6	-37.4	178.4	178.4	0	0	0	0	111.3	Y113 R119 L425	Y113-V115 PolarHBondContact O-N 3.45Å; V115-R119 VanDerWaalsContact O-CG 3.27Å; V115-R119 WeakPolarHBondContact O-CG 3.31Å; V115-R119 PolarHBondContact O-N 3.36Å; V115-L425 HydrophobicContact CB-CD2 4.06Å; V115-L425 HydrophobicContact CG1-CD2 4.38Å; V115-L425 HydrophobicContact CG2-CD2 4.24Å
116	Q	87.3	Confident	91.4	Very high	48 Å²	48	33.2 Å²	33.2	22%	0.224	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-45.2	176.5	178.2	177.2	-11.6	0	0	111.2	F91 T92 Y113 W114 R119 Q120	F91-Q116 HydrophobicContact CD2-CG 4.27Å; F91-Q116 HydrophobicContact CE2-CB 4.41Å; F91-Q116 HydrophobicContact CE2-CG 4.09Å; T92-Q116 PolarHBondContact OG1-NE2 3.03Å; T92-Q116 VanDerWaalsContact OG1-NE2 3.15Å; Y113-Q116 PolarHBondContact O-N 2.89Å; Y113-Q116 VanDerWaalsContact O-N 3.13Å; W114-Q116 VanDerWaalsContact C-N 3.32Å; W114-Q116 PolarHBondContact O-N 3.33Å; Q116-R119 PolarHBondContact O-N 2.7Å; Q116-R119 VanDerWaalsContact O-N 3.09Å; Q116-Q120 HydrophobicContact CG-CG 4.27Å; Q116-Q120 VanDerWaalsContact NE2-OE1 3.1Å; Q116-Q120 WeakPolarHBondContact O-CB 3.29Å; Q116-Q120 WeakPolarHBondContact O-CG 3.42Å; Q116-Q120 PolarHBondContact O-N 2.75Å
117	A	91.6	Very high	91.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-44.2	179.2	0	0	0	0	0	111.7	F91 L107 T109 Y113 W114 R119 Q120 M121 L127	F91-A117 HydrophobicContact CD2-CB 3.81Å; F91-A117 HydrophobicContact CE2-CB 3.98Å; F91-A117 HydrophobicContact CG-CB 4.42Å; L107-A117 HydrophobicContact CD2-CB 4.23Å; T109-A117 HydrophobicContact CG2-CB 4.25Å; Y113-A117 WeakPolarHBondContact O-CB 3.42Å; Y113-A117 PolarHBondContact O-N 2.68Å; W114-A117 PolarHBondContact O-N 2.78Å; A117-R119 PolarHBondContact O-N 2.66Å; A117-Q120 PolarHBondContact O-N 3.34Å; A117-M121 HydrophobicContact CB-CE 4.03Å; A117-M121 WeakPolarHBondContact O-CB 3.3Å; A117-M121 WeakPolarHBondContact O-CG 3.28Å; A117-M121 PolarHBondContact O-N 3.29Å; A117-L127 HydrophobicContact CB-CD1 3.75Å; A117-L127 HydrophobicContact CB-CD2 4.14Å
118	E	89.1	Confident	91.3	Very high	104 Å²	104	37.4 Å²	37.4	49%	0.486	18%	0.176	S	C	.	.	H	α-helix	trans	-59.3	-27.9	174	-72.6	172.3	-178.7	0	0	112.7	W114 L127 K129	W114-E118 WeakPolarHBondContact O-CG 3.41Å; W114-E118 PolarHBondContact O-N 2.91Å; E118-L127 HydrophobicContact CG-CD2 3.63Å; E118-K129 WeakPolarHBondContact OE1-CE 3.48Å; E118-K129 IonicContact OE1-NZ 2.68Å; E118-K129 PolarHBondContact OE1-NZ 2.94Å
119	R	86.2	Confident	91.1	Very high	123 Å²	123	42.6 Å²	42.6	46%	0.464	20%	0.199	S	C	.	.	H	α-helix	trans	-89.1	-22.1	179.8	-70.9	175.7	-178.1	-173.6	3.6	114.7	P40 T42 A43 V115 Q116 A117	P40-R119 HydrophobicContact CG-CB 4.49Å; P40-R119 HydrophobicContact CG-CG 4.48Å; T42-R119 CarbonylContact C-O 3.55Å; T42-R119 PolarHBondContact OG1-O 3.12Å; A43-R119 PolarHBondContact N-O 3.35Å; V115-R119 VanDerWaalsContact O-CG 3.27Å; V115-R119 WeakPolarHBondContact O-CG 3.31Å; V115-R119 PolarHBondContact O-N 3.36Å; Q116-R119 PolarHBondContact O-N 2.7Å; Q116-R119 VanDerWaalsContact O-N 3.09Å; A117-R119 PolarHBondContact O-N 2.66Å
120	Q	91	Very high	91	Very high	35 Å²	35	45.7 Å²	45.7	16%	0.164	22%	0.215	C	C	.	.	H	α-helix	trans	-107.4	-25.2	-171.3	-71.7	-175.6	-23	0	0	113.6	A43 V44 T92 Q116 A117	A43-Q120 WeakPolarHBondContact CA-O 3.37Å; V44-Q120 PolarHBondContact N-O 2.96Å; T92-Q120 VanDerWaalsContact OG1-CD 3.26Å; T92-Q120 PolarHBondContact OG1-NE2 3.01Å; T92-Q120 PolarHBondContact OG1-OE1 3.49Å; Q116-Q120 HydrophobicContact CG-CG 4.27Å; Q116-Q120 VanDerWaalsContact NE2-OE1 3.1Å; Q116-Q120 WeakPolarHBondContact O-CB 3.29Å; Q116-Q120 WeakPolarHBondContact O-CG 3.42Å; Q116-Q120 PolarHBondContact O-N 2.75Å; A117-Q120 PolarHBondContact O-N 3.34Å
121	M	93.6	Very high	91	Very high	11 Å²	11	48.6 Å²	48.6	5%	0.054	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-85.7	146.8	177.8	-62.6	-168.6	-59.2	0	0	112	F91 L107 A117 W125 L127	F91-M121 HydrophobicContact CB-CG 4.06Å; L107-M121 HydrophobicContact CB-CE 4.34Å; L107-M121 HydrophobicContact CB-SD 3.68Å; L107-M121 HydrophobicContact CD2-CE 4.08Å; L107-M121 HydrophobicContact CD2-CG 4.44Å; L107-M121 HydrophobicContact CD2-SD 3.33Å; L107-M121 WeakPolarHBondContact CD2-SD 3.41Å; L107-M121 HydrophobicContact CG-SD 4.13Å; A117-M121 HydrophobicContact CB-CE 4.03Å; A117-M121 WeakPolarHBondContact O-CB 3.3Å; A117-M121 WeakPolarHBondContact O-CG 3.28Å; A117-M121 PolarHBondContact O-N 3.29Å; M121-W125 HydrophobicContact CB-CB 4.2Å; M121-W125 HydrophobicContact CE-CB 4.28Å; M121-W125 HydrophobicContact CG-CB 4.46Å; M121-W125 HydrophobicContact SD-CB 3.7Å; M121-W125 HydrophobicContact SD-CG 4.15Å; M121-L127 HydrophobicContact CE-CB 3.76Å; M121-L127 HydrophobicContact CE-CD1 4.08Å; M121-L127 HydrophobicContact CE-CG 4.42Å
122	D	92.5	Very high	91.4	Very high	5 Å²	5	48 Å²	48	3%	0.027	23%	0.229	C	C	.	.			trans	-81.5	-176.8	168.6	72.5	16.2	0	0	0	112.4	L39 V44 T46 N124 W125	L39-D122 HydrophobicContact CD1-CB 3.94Å; V44-D122 WeakPolarHBondContact O-CB 3.33Å; T46-D122 PolarHBondContact N-OD2 3.25Å; T46-D122 PolarHBondContact OG1-OD1 3.28Å; T46-D122 PolarHBondContact OG1-OD2 3.09Å; D122-N124 VanDerWaalsContact CG-ND2 3.26Å; D122-N124 PolarHBondContact O-N 3.21Å; D122-N124 WeakPolarHBondContact OD1-CB 3.38Å; D122-N124 PolarHBondContact OD1-N 2.93Å; D122-N124 PolarHBondContact OD1-ND2 3.07Å; D122-N124 VanDerWaalsContact OD1-ND2 3.13Å; D122-N124 PolarHBondContact OD2-ND2 3.28Å; D122-W125 PolarHBondContact O-N 3.13Å
123	C	90.3	Very high	91.9	Very high	25 Å²	25	46.7 Å²	46.7	17%	0.169	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.2	-176.3	82.1	0	0	0	0	115	R30 C32 W125	R30-C123 VanDerWaalsContact CB-SG 3.56Å; R30-C123 WeakPolarHBondContact CD-O 3.41Å; R30-C123 PolarHBondContact NH1-O 3.43Å; R30-C123 VanDerWaalsContact NH1-O 3.13Å; C32-C123 WeakPolarHBondContact CA-SG 3.48Å; C32-C123 HydrophobicContact CB-CB 4.01Å; C32-C123 WeakPolarHBondContact CB-SG 3.07Å; C32-C123 WeakPolarHBondContact SG-CB 3.21Å; C32-C123 PolarHBondContact SG-N 3.29Å; C32-C123 VanDerWaalsContact SG-N 3.36Å; C32-C123 CovalentContact SG-SG 2.05Å; C32-C123 PolarHBondContact SG-SG 3.39Å; C123-W125 VanDerWaalsContact C-N 3.31Å
124	N	93.7	Very high	92.2	Very high	13 Å²	13	51 Å²	51	7%	0.07	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.8	179.4	-63.4	-66.2	0	0	0	112.5	R30 S47 L50 D122	R30-N124 PolarHBondContact N-OD1 3.47Å; S47-N124 PolarHBondContact OG-ND2 3.38Å; S47-N124 VanDerWaalsContact OG-ND2 3.13Å; L50-N124 HydrophobicContact CD1-CB 3.51Å; D122-N124 VanDerWaalsContact CG-ND2 3.26Å; D122-N124 PolarHBondContact O-N 3.21Å; D122-N124 WeakPolarHBondContact OD1-CB 3.38Å; D122-N124 PolarHBondContact OD1-N 2.93Å; D122-N124 PolarHBondContact OD1-ND2 3.07Å; D122-N124 VanDerWaalsContact OD1-ND2 3.13Å; D122-N124 PolarHBondContact OD2-ND2 3.28Å
125	W	96.3	Very high	92.6	Very high	15 Å²	15	48 Å²	48	6%	0.057	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-102.2	136.5	-174.1	-67.5	87.2	0	0	0	112.4	T46 L50 M88 T89 A98 V100 A105 A106 L107 M121 D122 C123	T46-W125 PolarHBondContact OG1-NE1 3.32Å; L50-W125 HydrophobicContact CD2-CH2 4.35Å; L50-W125 HydrophobicContact CD2-CZ2 3.79Å; L50-W125 HydrophobicContact CG-CZ2 4.42Å; M88-W125 HydrophobicContact CB-CH2 4.49Å; M88-W125 HydrophobicContact CB-CZ2 4.25Å; M88-W125 WeakPolarHBondContact O-CZ2 3.41Å; M88-W125 PolarHBondContact O-NE1 2.71Å; T89-W125 HydrophobicContact CG2-CD2 3.95Å; T89-W125 HydrophobicContact CG2-CE3 3.84Å; T89-W125 HydrophobicContact CG2-CH2 3.44Å; T89-W125 VanDerWaalsContact CG2-CH2 3.44Å; T89-W125 HydrophobicContact CG2-CZ2 3.54Å; T89-W125 HydrophobicContact CG2-CZ3 3.6Å; A98-W125 HydrophobicContact CB-CH2 3.81Å; A98-W125 HydrophobicContact CB-CZ3 3.58Å; V100-W125 HydrophobicContact CG2-CH2 3.62Å; V100-W125 HydrophobicContact CG2-CZ2 4.33Å; V100-W125 HydrophobicContact CG2-CZ3 4.29Å; A105-W125 HydrophobicContact CB-CD2 3.82Å; A105-W125 HydrophobicContact CB-CE3 3.68Å; A105-W125 HydrophobicContact CB-CG 4.48Å; A105-W125 HydrophobicContact CB-CH2 4.03Å; A105-W125 HydrophobicContact CB-CZ2 4.16Å; A105-W125 HydrophobicContact CB-CZ3 3.79Å; A105-W125 WeakPolarHBondContact O-CA 3.43Å; A106-W125 WeakPolarHBondContact O-CZ3 3.3Å; L107-W125 HydrophobicContact CB-CE3 4.31Å; M121-W125 HydrophobicContact CB-CB 4.2Å; M121-W125 HydrophobicContact CE-CB 4.28Å; M121-W125 HydrophobicContact CG-CB 4.46Å; M121-W125 HydrophobicContact SD-CB 3.7Å; M121-W125 HydrophobicContact SD-CG 4.15Å; D122-W125 PolarHBondContact O-N 3.13Å; C123-W125 VanDerWaalsContact C-N 3.31Å
126	E	95.9	Very high	93.3	Very high	51 Å²	51	46.2 Å²	46.2	24%	0.238	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.8	168.8	-64.7	174.2	-174	0	0	109.5	R30 A105 A106 L107	R30-E126 IonicContact NH2-OE1 3.7Å; A105-E126 PolarHBondContact O-N 3.38Å; A106-E126 CarbonylContact C-O 3.5Å; A106-E126 VanDerWaalsContact CA-O 3.26Å; A106-E126 WeakPolarHBondContact CA-O 3.35Å; A106-E126 HydrophobicContact CB-CB 4.14Å; L107-E126 PolarHBondContact N-O 2.89Å
127	L	96.6	Very high	93.7	Very high	37 Å²	37	44 Å²	44	19%	0.194	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.6	172.6	179.3	61	0	0	0	110.3	T109 W114 A117 E118 M121 K129	T109-L127 HydrophobicContact CG2-CD1 3.83Å; W114-L127 HydrophobicContact CB-CD2 4.38Å; A117-L127 HydrophobicContact CB-CD1 3.75Å; A117-L127 HydrophobicContact CB-CD2 4.14Å; E118-L127 HydrophobicContact CG-CD2 3.63Å; M121-L127 HydrophobicContact CE-CB 3.76Å; M121-L127 HydrophobicContact CE-CD1 4.08Å; M121-L127 HydrophobicContact CE-CG 4.42Å; L127-K129 HydrophobicContact CD2-CG 4.45Å; L127-K129 HydrophobicContact CG-CG 4.38Å
128	Q	97.5	Very high	94	Very high	52 Å²	52	50 Å²	50	24%	0.243	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.4	174.4	-56.7	-64.6	-27.7	0	0	108.7	A106 L107 W108 T109 D130	A106-Q128 HydrophobicContact CB-CG 4.22Å; L107-Q128 PolarHBondContact O-N 3.05Å; W108-Q128 WeakPolarHBondContact CA-O 3.48Å; W108-Q128 VanDerWaalsContact CD1-CB 3.47Å; W108-Q128 HydrophobicContact CD2-CB 3.7Å; W108-Q128 HydrophobicContact CD2-CG 3.87Å; W108-Q128 HydrophobicContact CE3-CB 4.5Å; W108-Q128 HydrophobicContact CE3-CG 4.32Å; W108-Q128 HydrophobicContact CG-CB 3.67Å; W108-Q128 HydrophobicContact CG-CG 4.39Å; W108-Q128 HydrophobicContact CH2-CG 4.13Å; W108-Q128 HydrophobicContact CZ2-CB 4.22Å; W108-Q128 HydrophobicContact CZ2-CG 3.66Å; W108-Q128 HydrophobicContact CZ3-CG 4.44Å; T109-Q128 PolarHBondContact N-O 2.93Å; Q128-D130 PolarHBondContact O-N 3.21Å
129	K	94.1	Very high	94.4	Very high	111 Å²	111	46 Å²	46	48%	0.483	23%	0.23	S	C	.	.	S	Bend	trans	-85	51.9	-174.8	-64.4	-171.6	-179.5	-175.2	0	112	W114 E118 L127	W114-K129 HydrophobicContact CD2-CB 4.11Å; W114-K129 HydrophobicContact CD2-CD 3.82Å; W114-K129 HydrophobicContact CD2-CG 3.89Å; W114-K129 HydrophobicContact CE3-CD 4.06Å; W114-K129 HydrophobicContact CG-CD 4.04Å; W114-K129 HydrophobicContact CG-CG 3.92Å; W114-K129 HydrophobicContact CH2-CB 4.45Å; W114-K129 HydrophobicContact CZ2-CB 3.75Å; W114-K129 HydrophobicContact CZ2-CG 4.46Å; E118-K129 WeakPolarHBondContact OE1-CE 3.48Å; E118-K129 IonicContact OE1-NZ 2.68Å; E118-K129 PolarHBondContact OE1-NZ 2.94Å; L127-K129 HydrophobicContact CD2-CG 4.45Å; L127-K129 HydrophobicContact CG-CG 4.38Å
130	D	92.3	Very high	94.9	Very high	65 Å²	65	40.2 Å²	40.2	35%	0.348	21%	0.207	S	C	.	.			trans	-149.8	163.4	179.6	-163.9	-26.3	0	0	0	108.2	W108 T109 Q128 S132 S135	W108-D130 VanDerWaalsContact CB-O 3.27Å; W108-D130 WeakPolarHBondContact CB-O 3.41Å; T109-D130 PolarHBondContact N-O 3.44Å; Q128-D130 PolarHBondContact O-N 3.21Å; D130-S132 WeakPolarHBondContact OD1-CB 3.13Å; D130-S132 PolarHBondContact OD1-N 2.9Å; D130-S132 PolarHBondContact OD1-OG 3.48Å; D130-S132 VanDerWaalsContact OD1-OG 3.07Å; D130-S132 PolarHBondContact OD2-OG 3.45Å; D130-S135 VanDerWaalsContact OD2-CB 3.31Å; D130-S135 WeakPolarHBondContact OD2-CB 3.37Å
131	V	91.1	Very high	95.2	Very high	85 Å²	85	41 Å²	41	52%	0.515	21%	0.212	S	C	.	.			trans	-128.1	-3.3	174.6	-66.9	0	0	0	0	113.3	T109 D110	T109-V131 VanDerWaalsContact C-CG1 3.42Å; D110-V131 HydrophobicContact CB-CG1 3.63Å
132	S	93.8	Very high	95.3	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	24%	0.236	S	C	.	.			trans	-69.2	137	-175.9	70.5	0	0	0	0	111.4	D130 I134 S135 V136	D130-S132 WeakPolarHBondContact OD1-CB 3.13Å; D130-S132 PolarHBondContact OD1-N 2.9Å; D130-S132 PolarHBondContact OD1-OG 3.48Å; D130-S132 VanDerWaalsContact OD1-OG 3.07Å; D130-S132 PolarHBondContact OD2-OG 3.45Å; S132-I134 PolarHBondContact O-N 2.68Å; S132-S135 PolarHBondContact O-N 2.88Å; S132-S135 VanDerWaalsContact O-N 3.12Å; S132-S135 VanDerWaalsContact OG-CB 3.28Å; S132-S135 WeakPolarHBondContact OG-CB 3.35Å; S132-S135 PolarHBondContact OG-N 3.34Å; S132-S135 VanDerWaalsContact OG-N 3.13Å; S132-V136 PolarHBondContact O-N 3.29Å
133	V	95.2	Very high	95.5	Very high	30 Å²	30	46.6 Å²	46.6	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-56.5	-32.1	171.3	169.7	0	0	0	0	111.1	V136 A137 N164 Y165	V133-V136 PolarHBondContact O-N 2.94Å; V133-A137 VanDerWaalsContact O-CB 3.31Å; V133-A137 WeakPolarHBondContact O-CB 3.46Å; V133-A137 PolarHBondContact O-N 2.77Å; V133-N164 HydrophobicContact CB-CB 4.29Å; V133-N164 HydrophobicContact CG1-CB 3.91Å; V133-N164 HydrophobicContact CG2-CB 4.39Å; V133-Y165 HydrophobicContact CB-CE2 4.5Å; V133-Y165 HydrophobicContact CG1-CD1 3.67Å; V133-Y165 HydrophobicContact CG1-CD2 3.74Å; V133-Y165 HydrophobicContact CG1-CE1 3.82Å; V133-Y165 HydrophobicContact CG1-CE2 3.9Å; V133-Y165 HydrophobicContact CG1-CG 3.62Å; V133-Y165 HydrophobicContact CG2-CD2 4.35Å; V133-Y165 HydrophobicContact CG2-CE2 3.94Å
134	I	95.8	Very high	95.8	Very high	99 Å²	99	45.5 Å²	45.5	51%	0.508	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-50.4	176.3	-63	171.4	0	0	0	110.5	S132 V136 A137 E138	S132-I134 PolarHBondContact O-N 2.68Å; I134-V136 VanDerWaalsContact C-N 3.33Å; I134-V136 PolarHBondContact O-N 3.01Å; I134-A137 PolarHBondContact O-N 3Å; I134-A137 VanDerWaalsContact O-N 3.13Å; I134-E138 HydrophobicContact CG2-CG 4.37Å; I134-E138 WeakPolarHBondContact O-CG 3.26Å; I134-E138 PolarHBondContact O-N 2.97Å
135	S	97.1	Very high	95.8	Very high	20 Å²	20	49 Å²	49	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-43	177.8	178.9	0	0	0	0	112.2	W108 D130 S132 A137 E138 W139	W108-S135 PolarHBondContact NE1-OG 2.86Å; D130-S135 VanDerWaalsContact OD2-CB 3.31Å; D130-S135 WeakPolarHBondContact OD2-CB 3.37Å; S132-S135 PolarHBondContact O-N 2.88Å; S132-S135 VanDerWaalsContact O-N 3.12Å; S132-S135 VanDerWaalsContact OG-CB 3.28Å; S132-S135 WeakPolarHBondContact OG-CB 3.35Å; S132-S135 PolarHBondContact OG-N 3.34Å; S132-S135 VanDerWaalsContact OG-N 3.13Å; S135-A137 VanDerWaalsContact C-N 3.35Å; S135-A137 PolarHBondContact O-N 3.36Å; S135-E138 PolarHBondContact O-N 3.39Å; S135-W139 PolarHBondContact O-N 2.87Å; S135-W139 VanDerWaalsContact O-N 3.11Å
136	V	97.9	Very high	95.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-43.2	176.1	-173.9	0	0	0	0	110.9	V99 W108 S132 V133 I134 W139 L140 Y165	V99-V136 HydrophobicContact CG2-CG1 3.64Å; W108-V136 HydrophobicContact CB-CG2 4.4Å; W108-V136 HydrophobicContact CD2-CG2 3.71Å; W108-V136 HydrophobicContact CE3-CG2 4.21Å; W108-V136 HydrophobicContact CG-CG2 3.77Å; W108-V136 HydrophobicContact CH2-CG1 4.48Å; W108-V136 HydrophobicContact CZ2-CG2 4.48Å; W108-V136 HydrophobicContact CZ3-CG1 4.47Å; S132-V136 PolarHBondContact O-N 3.29Å; V133-V136 PolarHBondContact O-N 2.94Å; I134-V136 VanDerWaalsContact C-N 3.33Å; I134-V136 PolarHBondContact O-N 3.01Å; V136-W139 PolarHBondContact O-N 2.69Å; V136-L140 HydrophobicContact CG1-CD1 4.01Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 VanDerWaalsContact O-CG 3.3Å; V136-L140 WeakPolarHBondContact O-CG 3.18Å; V136-L140 PolarHBondContact O-N 3.45Å; V136-Y165 HydrophobicContact CB-CE1 3.96Å; V136-Y165 HydrophobicContact CG1-CE1 3.8Å; V136-Y165 WeakPolarHBondContact CG1-OH 3.17Å
137	A	97	Very high	95.6	Very high	1 Å²	1	51 Å²	51	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-40.2	179	0	0	0	0	0	112.5	V133 I134 S135 W139 L140 I141 L169	V133-A137 VanDerWaalsContact O-CB 3.31Å; V133-A137 WeakPolarHBondContact O-CB 3.46Å; V133-A137 PolarHBondContact O-N 2.77Å; I134-A137 PolarHBondContact O-N 3Å; I134-A137 VanDerWaalsContact O-N 3.13Å; S135-A137 VanDerWaalsContact C-N 3.35Å; S135-A137 PolarHBondContact O-N 3.36Å; A137-W139 VanDerWaalsContact C-N 3.35Å; A137-W139 PolarHBondContact O-N 2.9Å; A137-L140 WeakPolarHBondContact O-CB 3.45Å; A137-L140 PolarHBondContact O-N 2.8Å; A137-I141 WeakPolarHBondContact O-CB 3.49Å; A137-I141 VanDerWaalsContact O-CG1 3.23Å; A137-I141 WeakPolarHBondContact O-CG1 3.29Å; A137-I141 PolarHBondContact O-N 3.38Å; A137-L169 HydrophobicContact CB-CD2 4.13Å; A137-L169 HydrophobicContact CB-CG 4.39Å
138	E	96.7	Very high	95.6	Very high	126 Å²	126	49.6 Å²	49.6	59%	0.589	29%	0.29	S	S	*	.	H	α-helix	trans	-61.1	-43	175.1	-74.3	175.8	169.2	0	0	111.6	I134 S135 I141 S142	I134-E138 HydrophobicContact CG2-CG 4.37Å; I134-E138 WeakPolarHBondContact O-CG 3.26Å; I134-E138 PolarHBondContact O-N 2.97Å; S135-E138 PolarHBondContact O-N 3.39Å; E138-I141 WeakPolarHBondContact O-CB 3.49Å; E138-I141 PolarHBondContact O-N 2.99Å; E138-S142 PolarHBondContact O-N 2.79Å
139	W	97.8	Very high	95.6	Very high	22 Å²	22	48.1 Å²	48.1	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-41.6	174.1	-173	99	0	0	0	112	V99 T101 K104 A106 W108 S135 V136 A137 I141 S142 E143	V99-W139 HydrophobicContact CB-CZ3 4.05Å; V99-W139 HydrophobicContact CG1-CE3 4.19Å; V99-W139 HydrophobicContact CG1-CH2 4.38Å; V99-W139 HydrophobicContact CG1-CZ3 3.55Å; T101-W139 HydrophobicContact CG2-CH2 3.62Å; T101-W139 HydrophobicContact CG2-CZ3 3.63Å; K104-W139 HydrophobicContact CB-CH2 4.23Å; K104-W139 HydrophobicContact CB-CZ2 4.04Å; K104-W139 HydrophobicContact CD-CZ2 4.45Å; A106-W139 HydrophobicContact CB-CH2 4.24Å; A106-W139 HydrophobicContact CB-CZ2 3.7Å; W108-W139 HydrophobicContact CH2-CB 3.83Å; W108-W139 AromaticContact CH2-CD2 3.56Å; W108-W139 HydrophobicContact CH2-CD2 3.56Å; W108-W139 AromaticContact CH2-CE3 3.82Å; W108-W139 HydrophobicContact CH2-CE3 3.82Å; W108-W139 AromaticContact CH2-CG 3.56Å; W108-W139 HydrophobicContact CH2-CG 3.56Å; W108-W139 HydrophobicContact CZ2-CB 3.51Å; W108-W139 HydrophobicContact CZ2-CD2 4.16Å; W108-W139 AromaticContact CZ2-CG 3.64Å; W108-W139 HydrophobicContact CZ2-CG 3.64Å; S135-W139 PolarHBondContact O-N 2.87Å; S135-W139 VanDerWaalsContact O-N 3.11Å; V136-W139 PolarHBondContact O-N 2.69Å; A137-W139 VanDerWaalsContact C-N 3.35Å; A137-W139 PolarHBondContact O-N 2.9Å; W139-I141 PolarHBondContact O-N 3.42Å; W139-S142 PolarHBondContact O-N 2.78Å; W139-S142 VanDerWaalsContact O-N 3.11Å; W139-S142 PolarHBondContact O-OG 2.91Å; W139-E143 HydrophobicContact CD2-CG 3.77Å; W139-E143 HydrophobicContact CE3-CB 4.34Å; W139-E143 HydrophobicContact CE3-CG 3.91Å; W139-E143 HydrophobicContact CG-CG 4.47Å; W139-E143 HydrophobicContact CH2-CB 4.48Å; W139-E143 HydrophobicContact CH2-CG 3.96Å; W139-E143 HydrophobicContact CZ2-CG 3.81Å; W139-E143 HydrophobicContact CZ3-CB 4.23Å; W139-E143 HydrophobicContact CZ3-CG 3.99Å; W139-E143 WeakPolarHBondContact O-CG 3.15Å; W139-E143 PolarHBondContact O-N 3.02Å
140	L	97.8	Very high	95.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.4	-38.4	173.2	-76.8	163.9	0	0	0	111.5	A64 I66 V99 V136 A137 E143 V144 I150 Y165 L169	A64-L140 HydrophobicContact CB-CD2 3.56Å; I66-L140 HydrophobicContact CD1-CD1 4Å; I66-L140 HydrophobicContact CG1-CD1 4.44Å; V99-L140 HydrophobicContact CG1-CD2 3.69Å; V99-L140 HydrophobicContact CG1-CG 4.44Å; V136-L140 HydrophobicContact CG1-CD1 4.01Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 VanDerWaalsContact O-CG 3.3Å; V136-L140 WeakPolarHBondContact O-CG 3.18Å; V136-L140 PolarHBondContact O-N 3.45Å; A137-L140 WeakPolarHBondContact O-CB 3.45Å; A137-L140 PolarHBondContact O-N 2.8Å; L140-E143 PolarHBondContact O-N 2.95Å; L140-V144 HydrophobicContact CD2-CG2 4.3Å; L140-V144 WeakPolarHBondContact O-CA 3.38Å; L140-V144 WeakPolarHBondContact O-CB 3.15Å; L140-V144 WeakPolarHBondContact O-CG2 3.32Å; L140-V144 PolarHBondContact O-N 3.42Å; L140-I150 HydrophobicContact CB-CD1 3.99Å; L140-I150 HydrophobicContact CD1-CD1 4.23Å; L140-I150 HydrophobicContact CD1-CG2 4.14Å; L140-I150 HydrophobicContact CD2-CD1 4.1Å; L140-I150 HydrophobicContact CD2-CG1 4.21Å; L140-I150 HydrophobicContact CD2-CG2 3.98Å; L140-I150 HydrophobicContact CG-CD1 4.35Å; L140-Y165 HydrophobicContact CD1-CE1 4.3Å; L140-L169 HydrophobicContact CB-CD2 4.38Å
141	I	97.1	Very high	96.1	Very high	51 Å²	51	39.8 Å²	39.8	26%	0.262	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-35.7	175.6	-72.8	165.9	0	0	0	111.3	A137 E138 W139 L169 R174	A137-I141 WeakPolarHBondContact O-CB 3.49Å; A137-I141 VanDerWaalsContact O-CG1 3.23Å; A137-I141 WeakPolarHBondContact O-CG1 3.29Å; A137-I141 PolarHBondContact O-N 3.38Å; E138-I141 WeakPolarHBondContact O-CB 3.49Å; E138-I141 PolarHBondContact O-N 2.99Å; W139-I141 PolarHBondContact O-N 3.42Å; I141-L169 HydrophobicContact CD1-CD2 4.28Å; I141-L169 HydrophobicContact CG1-CD2 3.97Å; I141-R174 PolarHBondContact O-NH2 2.82Å
142	S	96	Very high	96.4	Very high	80 Å²	80	35.8 Å²	35.8	56%	0.559	22%	0.22	S	C	*	.	H	α-helix	trans	-74	-29.1	176.6	67.2	0	0	0	0	113.2	E138 W139	E138-S142 PolarHBondContact O-N 2.79Å; W139-S142 PolarHBondContact O-N 2.78Å; W139-S142 VanDerWaalsContact O-N 3.11Å; W139-S142 PolarHBondContact O-OG 2.91Å
143	E	96.5	Very high	96.6	Very high	54 Å²	54	34.2 Å²	34.2	25%	0.252	21%	0.208	S	C	.	.	H	α-helix	trans	-100.4	-25.5	-173.4	-60.7	-55.9	136	0	0	114.7	T101 K104 W139 L140	T101-E143 HydrophobicContact CG2-CB 4.1Å; K104-E143 WeakPolarHBondContact CD-OE2 3.2Å; K104-E143 WeakPolarHBondContact CE-OE2 3.46Å; K104-E143 IonicContact NZ-OE1 2.82Å; K104-E143 PolarHBondContact NZ-OE1 3.2Å; K104-E143 IonicContact NZ-OE2 3.9Å; K104-E143 PolarHBondContact NZ-OE2 2.98Å; W139-E143 HydrophobicContact CD2-CG 3.77Å; W139-E143 HydrophobicContact CE3-CB 4.34Å; W139-E143 HydrophobicContact CE3-CG 3.91Å; W139-E143 HydrophobicContact CG-CG 4.47Å; W139-E143 HydrophobicContact CH2-CB 4.48Å; W139-E143 HydrophobicContact CH2-CG 3.96Å; W139-E143 HydrophobicContact CZ2-CG 3.81Å; W139-E143 HydrophobicContact CZ3-CB 4.23Å; W139-E143 HydrophobicContact CZ3-CG 3.99Å; W139-E143 WeakPolarHBondContact O-CG 3.15Å; W139-E143 PolarHBondContact O-N 3.02Å; L140-E143 PolarHBondContact O-N 2.95Å
144	V	96.4	Very high	96.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	20%	0.2	C	C	.	.	S	Bend	trans	-103.9	123.5	-177.8	-177.8	0	0	0	0	110.1	A64 L140 I150 R174	A64-V144 HydrophobicContact CB-CG2 3.66Å; L140-V144 HydrophobicContact CD2-CG2 4.3Å; L140-V144 WeakPolarHBondContact O-CA 3.38Å; L140-V144 WeakPolarHBondContact O-CB 3.15Å; L140-V144 WeakPolarHBondContact O-CG2 3.32Å; L140-V144 PolarHBondContact O-N 3.42Å; V144-I150 HydrophobicContact CG1-CG1 4.3Å; V144-I150 HydrophobicContact CG2-CG1 4.19Å; V144-R174 HydrophobicContact CB-CG 4.36Å; V144-R174 HydrophobicContact CG1-CG 4.14Å; V144-R174 PolarHBondContact O-NE 3.03Å; V144-R174 PolarHBondContact O-NH2 3.17Å
145	P	93.8	Very high	96.9	Very high	86 Å²	86	29.9 Å²	29.9	56%	0.558	18%	0.184	S	C	*	.	P	Polyproline II helix	trans	-64.4	156	177.4	27.4	-34.6	0	0	0	111.5	G147 G148	P145-G147 PolarHBondContact O-N 3.05Å; P145-G148 PolarHBondContact O-N 2.75Å
146	A	94.9	Very high	97	Very high	69 Å²	69	29.2 Å²	29.2	57%	0.57	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	136.2	173	0	0	0	0	0	110.7	G148 N173	A146-G148 VanDerWaalsContact C-N 3.29Å; A146-N173 HydrophobicContact CB-CB 4.39Å
147	G	93.4	Very high	97	Very high	40 Å²	40	29.3 Å²	29.3	41%	0.412	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-4.7	-171.5	0	0	0	0	0	114.8	P145 N173	P145-G147 PolarHBondContact O-N 3.05Å; G147-N173 WeakPolarHBondContact CA-O 3.33Å; G147-N173 PolarHBondContact N-O 3.22Å
148	G	95.8	Very high	97	Very high	8 Å²	8	29.6 Å²	29.6	8%	0.082	18%	0.181	C	C	.	.			trans	-70.6	147.6	178	0	0	0	0	0	113.2	P145 A146 I175	P145-G148 PolarHBondContact O-N 2.75Å; A146-G148 VanDerWaalsContact C-N 3.29Å; G148-I175 PolarHBondContact O-N 2.92Å
149	N	97.2	Very high	96.9	Very high	21 Å²	21	23.7 Å²	23.7	11%	0.112	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.2	176.3	-59	-59	0	0	0	110.9	N61 S63 A64 I175 K177	N61-N149 PolarHBondContact ND2-ND2 3.08Å; N61-N149 WeakPolarHBondContact O-CB 3.37Å; N61-N149 PolarHBondContact O-ND2 2.87Å; S63-N149 PolarHBondContact N-O 2.97Å; A64-N149 PolarHBondContact N-O 2.85Å; N149-I175 CarbonylContact C-O 3.55Å; N149-I175 WeakPolarHBondContact CA-O 3.28Å; N149-K177 HydrophobicContact CB-CB 4.35Å; N149-K177 HydrophobicContact CB-CD 4.16Å
150	I	98.3	Very high	96.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	108.6	172.6	-60.4	165.9	0	0	0	106.7	A64 I66 L140 V144 L169 R174 I175 L176 K177	A64-I150 HydrophobicContact CB-CG1 4.42Å; A64-I150 HydrophobicContact CB-CG2 4.45Å; A64-I150 CarbonylContact O-C 3.55Å; A64-I150 WeakPolarHBondContact O-CA 3.28Å; I66-I150 HydrophobicContact CD1-CG2 3.76Å; I66-I150 HydrophobicContact CG1-CG2 3.99Å; L140-I150 HydrophobicContact CB-CD1 3.99Å; L140-I150 HydrophobicContact CD1-CD1 4.23Å; L140-I150 HydrophobicContact CD1-CG2 4.14Å; L140-I150 HydrophobicContact CD2-CD1 4.1Å; L140-I150 HydrophobicContact CD2-CG1 4.21Å; L140-I150 HydrophobicContact CD2-CG2 3.98Å; L140-I150 HydrophobicContact CG-CD1 4.35Å; V144-I150 HydrophobicContact CG1-CG1 4.3Å; V144-I150 HydrophobicContact CG2-CG1 4.19Å; I150-L169 HydrophobicContact CD1-CD1 3.8Å; I150-L169 HydrophobicContact CD1-CD2 4.01Å; I150-R174 HydrophobicContact CD1-CB 3.84Å; I150-R174 HydrophobicContact CD1-CG 4.09Å; I150-I175 PolarHBondContact N-O 2.92Å; I150-L176 HydrophobicContact CB-CD1 4.26Å; I150-L176 HydrophobicContact CG2-CD1 3.97Å; I150-L176 CarbonylContact O-C 3.44Å; I150-L176 WeakPolarHBondContact O-CA 3.4Å; I150-K177 PolarHBondContact O-N 2.64Å
151	G	98.2	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.8	-178.7	0	0	0	0	0	112.2	A64 Y65 I66 K177	A64-G151 PolarHBondContact O-N 2.84Å; Y65-G151 WeakPolarHBondContact CA-O 3.32Å; Y65-G151 WeakPolarHBondContact CD2-O 3.34Å; I66-G151 PolarHBondContact N-O 3.02Å; G151-K177 WeakPolarHBondContact CA-O 3.45Å
152	F	98.4	Very high	96.6	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.5	168.8	73.8	-74.9	0	0	0	110.4	P154 F157 Q162 L176 K177 I179 Y327	F152-P154 HydrophobicContact CE2-CB 3.99Å; F152-P154 HydrophobicContact CZ-CB 4.5Å; F152-P154 WeakPolarHBondContact O-CD 3.43Å; F152-F157 HydrophobicContact CB-CD2 4.26Å; F152-F157 HydrophobicContact CB-CE1 4.31Å; F152-F157 HydrophobicContact CB-CE2 3.72Å; F152-F157 HydrophobicContact CB-CZ 3.75Å; F152-F157 HydrophobicContact CD2-CB 4.05Å; F152-F157 AromaticContact CD2-CD1 3.74Å; F152-F157 HydrophobicContact CD2-CD1 3.74Å; F152-F157 AromaticContact CD2-CD2 3.56Å; F152-F157 HydrophobicContact CD2-CD2 3.56Å; F152-F157 HydrophobicContact CD2-CE1 4.02Å; F152-F157 AromaticContact CD2-CE2 3.89Å; F152-F157 HydrophobicContact CD2-CE2 3.89Å; F152-F157 AromaticContact CD2-CG 3.5Å; F152-F157 HydrophobicContact CD2-CG 3.5Å; F152-F157 HydrophobicContact CD2-CZ 4.11Å; F152-F157 HydrophobicContact CE2-CB 3.99Å; F152-F157 HydrophobicContact CE2-CD1 4.02Å; F152-F157 HydrophobicContact CE2-CD2 4.36Å; F152-F157 AromaticContact CE2-CG 3.88Å; F152-F157 HydrophobicContact CE2-CG 3.88Å; F152-F157 HydrophobicContact CG-CD1 4.39Å; F152-F157 HydrophobicContact CG-CD2 4.32Å; F152-F157 HydrophobicContact CG-CE1 4.22Å; F152-F157 HydrophobicContact CG-CE2 4.19Å; F152-F157 HydrophobicContact CG-CG 4.44Å; F152-F157 HydrophobicContact CG-CZ 4.14Å; F152-Q162 HydrophobicContact CE2-CG 4.35Å; F152-Q162 HydrophobicContact CZ-CG 3.99Å; F152-L176 HydrophobicContact CD1-CD1 3.76Å; F152-L176 HydrophobicContact CD1-CD2 4.29Å; F152-L176 HydrophobicContact CD1-CG 3.68Å; F152-L176 HydrophobicContact CE1-CD1 4.24Å; F152-L176 HydrophobicContact CE1-CD2 4.03Å; F152-L176 HydrophobicContact CE1-CG 3.62Å; F152-K177 VanDerWaalsContact CD1-O 3.31Å; F152-K177 WeakPolarHBondContact CD1-O 3.41Å; F152-K177 PolarHBondContact N-O 3.39Å; F152-K177 VanDerWaalsContact N-O 3.1Å; F152-I179 PolarHBondContact O-N 3.35Å; F152-Y327 HydrophobicContact CE2-CD1 4.03Å; F152-Y327 HydrophobicContact CE2-CG 4.36Å; F152-Y327 AromaticContact CZ-CD1 3.81Å; F152-Y327 HydrophobicContact CZ-CD1 3.81Å; F152-Y327 HydrophobicContact CZ-CE1 4.05Å; F152-Y327 HydrophobicContact CZ-CG 4.42Å
153	D	98.5	Very high	96.6	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.032	16%	0.159	C	C	.	.			trans	-80	115.8	167.7	-178.6	-12.2	0	0	0	109.3	F155 L156 N182	D153-F155 PolarHBondContact O-N 2.92Å; D153-F155 WeakPolarHBondContact OD1-CB 3.17Å; D153-F155 PolarHBondContact OD1-N 3.08Å; D153-L156 HydrophobicContact CB-CD1 4.06Å; D153-L156 HydrophobicContact CB-CG 3.98Å; D153-L156 PolarHBondContact O-N 2.95Å; D153-N182 VanDerWaalsContact OD2-CB 3.3Å; D153-N182 WeakPolarHBondContact OD2-CB 3.41Å; D153-N182 PolarHBondContact OD2-ND2 3.48Å
154	P	98.2	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-66.7	-15.4	-177.6	32.1	-39.7	0	0	0	114	F152 L156 S178 I179 P180 Y327 A328	F152-P154 HydrophobicContact CE2-CB 3.99Å; F152-P154 HydrophobicContact CZ-CB 4.5Å; F152-P154 WeakPolarHBondContact O-CD 3.43Å; P154-L156 VanDerWaalsContact C-N 3.28Å; P154-S178 WeakPolarHBondContact CB-OG 3.47Å; P154-S178 VanDerWaalsContact CG-OG 3.3Å; P154-S178 WeakPolarHBondContact CG-OG 3.31Å; P154-I179 VanDerWaalsContact CD-C 3.45Å; P154-I179 VanDerWaalsContact CD-O 3.31Å; P154-I179 WeakPolarHBondContact CD-O 3.48Å; P154-P180 HydrophobicContact CG-CB 4.28Å; P154-P180 HydrophobicContact CG-CG 4.04Å; P154-Y327 HydrophobicContact CB-CD1 3.88Å; P154-Y327 WeakPolarHBondContact O-CB 3.31Å; P154-Y327 PolarHBondContact O-N 2.73Å; P154-Y327 VanDerWaalsContact O-N 3.08Å; P154-A328 HydrophobicContact CB-CB 3.88Å; P154-A328 HydrophobicContact CG-CB 3.93Å; P154-A328 PolarHBondContact O-N 3.35Å
155	F	98.3	Very high	96.6	Very high	39 Å²	39	26.1 Å²	26.1	17%	0.171	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-72.4	-23.9	172.4	-76.4	-80.5	0	0	0	112.6	A72 D153 R304 N326 A328	A72-F155 WeakPolarHBondContact CA-O 3.38Å; A72-F155 HydrophobicContact CB-CB 3.95Å; A72-F155 HydrophobicContact CB-CD1 4.09Å; A72-F155 HydrophobicContact CB-CG 4.35Å; D153-F155 PolarHBondContact O-N 2.92Å; D153-F155 WeakPolarHBondContact OD1-CB 3.17Å; D153-F155 PolarHBondContact OD1-N 3.08Å; F155-R304 HydrophobicContact CZ-CG 4.11Å; F155-N326 VanDerWaalsContact O-CB 3.31Å; F155-N326 WeakPolarHBondContact O-CB 3.25Å; F155-A328 HydrophobicContact CB-CB 4.39Å; F155-A328 HydrophobicContact CD1-CB 3.62Å; F155-A328 HydrophobicContact CD2-CB 3.75Å; F155-A328 HydrophobicContact CE1-CB 3.77Å; F155-A328 HydrophobicContact CE2-CB 3.9Å; F155-A328 HydrophobicContact CG-CB 3.64Å; F155-A328 HydrophobicContact CZ-CB 3.93Å
156	L	98.2	Very high	96.6	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.031	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-97.5	6.1	-174.2	-50.7	-175.4	0	0	0	113.4	P68 T70 D71 D153 P154	P68-L156 HydrophobicContact CG-CB 3.58Å; P68-L156 HydrophobicContact CG-CD1 4.23Å; T70-L156 HydrophobicContact CG2-CB 4.16Å; T70-L156 WeakPolarHBondContact CG2-O 3.33Å; D71-L156 VanDerWaalsContact C-CD2 3.42Å; D153-L156 HydrophobicContact CB-CD1 4.06Å; D153-L156 HydrophobicContact CB-CG 3.98Å; D153-L156 PolarHBondContact O-N 2.95Å; P154-L156 VanDerWaalsContact C-N 3.28Å
157	F	98.1	Very high	96.6	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.013	15%	0.145	C	C	.	.			trans	-119.1	131.9	-180	-83.9	-129.1	0	0	0	108.6	I66 P68 F152 T161 Q162 Y165 N326 Y327	I66-F157 HydrophobicContact CB-CE2 4.47Å; I66-F157 HydrophobicContact CB-CZ 4.06Å; I66-F157 HydrophobicContact CD1-CZ 4.05Å; I66-F157 HydrophobicContact CG2-CE2 4.2Å; I66-F157 HydrophobicContact CG2-CZ 3.81Å; P68-F157 HydrophobicContact CG-CD2 4.33Å; P68-F157 HydrophobicContact CG-CE2 4.04Å; F152-F157 HydrophobicContact CB-CD2 4.26Å; F152-F157 HydrophobicContact CB-CE1 4.31Å; F152-F157 HydrophobicContact CB-CE2 3.72Å; F152-F157 HydrophobicContact CB-CZ 3.75Å; F152-F157 HydrophobicContact CD2-CB 4.05Å; F152-F157 AromaticContact CD2-CD1 3.74Å; F152-F157 HydrophobicContact CD2-CD1 3.74Å; F152-F157 AromaticContact CD2-CD2 3.56Å; F152-F157 HydrophobicContact CD2-CD2 3.56Å; F152-F157 HydrophobicContact CD2-CE1 4.02Å; F152-F157 AromaticContact CD2-CE2 3.89Å; F152-F157 HydrophobicContact CD2-CE2 3.89Å; F152-F157 AromaticContact CD2-CG 3.5Å; F152-F157 HydrophobicContact CD2-CG 3.5Å; F152-F157 HydrophobicContact CD2-CZ 4.11Å; F152-F157 HydrophobicContact CE2-CB 3.99Å; F152-F157 HydrophobicContact CE2-CD1 4.02Å; F152-F157 HydrophobicContact CE2-CD2 4.36Å; F152-F157 AromaticContact CE2-CG 3.88Å; F152-F157 HydrophobicContact CE2-CG 3.88Å; F152-F157 HydrophobicContact CG-CD1 4.39Å; F152-F157 HydrophobicContact CG-CD2 4.32Å; F152-F157 HydrophobicContact CG-CE1 4.22Å; F152-F157 HydrophobicContact CG-CE2 4.19Å; F152-F157 HydrophobicContact CG-CG 4.44Å; F152-F157 HydrophobicContact CG-CZ 4.14Å; F157-T161 HydrophobicContact CD1-CG2 3.8Å; F157-T161 HydrophobicContact CE1-CG2 4.13Å; F157-T161 HydrophobicContact CG-CG2 4.29Å; F157-Q162 HydrophobicContact CD1-CB 4.23Å; F157-Y165 HydrophobicContact CD1-CD2 4.24Å; F157-Y165 AromaticContact CE1-CD2 3.45Å; F157-Y165 HydrophobicContact CE1-CD2 3.45Å; F157-Y165 VanDerWaalsContact CE1-CD2 3.45Å; F157-Y165 AromaticContact CE1-CE2 3.64Å; F157-Y165 HydrophobicContact CE1-CE2 3.64Å; F157-Y165 HydrophobicContact CE1-CG 4.3Å; F157-Y165 HydrophobicContact CZ-CD2 4.23Å; F157-Y165 AromaticContact CZ-CE2 4Å; F157-Y165 HydrophobicContact CZ-CE2 4Å; F157-N326 CarbonylContact O-C 3.53Å; F157-N326 VanDerWaalsContact O-CA 3.23Å; F157-N326 WeakPolarHBondContact O-CA 3.28Å; F157-Y327 PolarHBondContact O-N 2.96Å
158	S	96.7	Very high	96.7	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.042	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-71.1	162.2	161.8	74	0	0	0	0	110.3	K160 T161 Q162 E323 T325	S158-K160 PolarHBondContact O-N 2.95Å; S158-K160 PolarHBondContact OG-N 3.03Å; S158-T161 PolarHBondContact O-N 3.42Å; S158-T161 WeakPolarHBondContact OG-CB 3.48Å; S158-T161 PolarHBondContact OG-N 3.28Å; S158-T161 PolarHBondContact OG-OG1 2.89Å; S158-T161 VanDerWaalsContact OG-OG1 3.05Å; S158-Q162 PolarHBondContact O-N 2.89Å; S158-E323 WeakPolarHBondContact CB-O 3.31Å; S158-T325 WeakPolarHBondContact CA-O 3.26Å
159	L	95.6	Very high	96.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-53.9	-46.3	168.7	176.1	57.4	0	0	0	110.5	T161 Q162 E163 I320 T322 T325 Y327 Y330 T341	L159-T161 VanDerWaalsContact C-N 3.34Å; L159-T161 PolarHBondContact O-N 2.82Å; L159-Q162 PolarHBondContact O-N 2.87Å; L159-E163 HydrophobicContact CD1-CG 4.08Å; L159-E163 HydrophobicContact CG-CG 4.4Å; L159-E163 WeakPolarHBondContact O-CG 3.44Å; L159-E163 PolarHBondContact O-N 3.33Å; L159-I320 HydrophobicContact CD2-CD1 4.22Å; L159-T322 HydrophobicContact CD2-CG2 3.86Å; L159-T325 PolarHBondContact N-O 2.87Å; L159-Y327 HydrophobicContact CD1-CD2 4.26Å; L159-Y327 HydrophobicContact CD1-CE2 4.32Å; L159-Y330 HydrophobicContact CD1-CD1 3.79Å; L159-Y330 HydrophobicContact CD1-CD2 3.94Å; L159-Y330 HydrophobicContact CD1-CE1 3.54Å; L159-Y330 HydrophobicContact CD1-CE2 3.63Å; L159-Y330 HydrophobicContact CD1-CG 3.98Å; L159-Y330 VanDerWaalsContact CD1-CZ 3.44Å; L159-Y330 HydrophobicContact CD2-CD2 3.69Å; L159-Y330 HydrophobicContact CD2-CE2 3.52Å; L159-Y330 HydrophobicContact CD2-CG 4.41Å; L159-Y330 HydrophobicContact CG-CD2 4.31Å; L159-Y330 HydrophobicContact CG-CE2 4.2Å; L159-T341 HydrophobicContact CD2-CG2 4.46Å
160	K	94.9	Very high	96.1	Very high	65 Å²	65	31.8 Å²	31.8	28%	0.283	16%	0.164	S	C	.	.	H	α-helix	trans	-61.5	-41.5	-179.1	-175.5	55.2	176	158.4	0	112.7	S158 E163 N164 T322	S158-K160 PolarHBondContact O-N 2.95Å; S158-K160 PolarHBondContact OG-N 3.03Å; K160-E163 PolarHBondContact O-N 2.79Å; K160-N164 WeakPolarHBondContact CE-OD1 3.38Å; K160-N164 PolarHBondContact NZ-OD1 2.75Å; K160-N164 PolarHBondContact O-N 2.55Å; K160-N164 PolarHBondContact O-ND2 3.01Å; K160-N164 PolarHBondContact O-OD1 2.79Å; K160-T322 PolarHBondContact N-O 3.5Å; K160-T322 VanDerWaalsContact N-O 3.15Å
161	T	95.8	Very high	95.7	Very high	48 Å²	48	37.4 Å²	37.4	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-64.6	-45.2	177	-63.6	0	0	0	0	111	F157 S158 L159 E163 N164 Y165	F157-T161 HydrophobicContact CD1-CG2 3.8Å; F157-T161 HydrophobicContact CE1-CG2 4.13Å; F157-T161 HydrophobicContact CG-CG2 4.29Å; S158-T161 PolarHBondContact O-N 3.42Å; S158-T161 WeakPolarHBondContact OG-CB 3.48Å; S158-T161 PolarHBondContact OG-N 3.28Å; S158-T161 PolarHBondContact OG-OG1 2.89Å; S158-T161 VanDerWaalsContact OG-OG1 3.05Å; L159-T161 VanDerWaalsContact C-N 3.34Å; L159-T161 PolarHBondContact O-N 2.82Å; T161-E163 PolarHBondContact O-N 3.37Å; T161-N164 PolarHBondContact O-N 3.11Å; T161-Y165 HydrophobicContact CG2-CD2 3.97Å; T161-Y165 HydrophobicContact CG2-CE2 3.87Å; T161-Y165 WeakPolarHBondContact O-CD2 3.48Å; T161-Y165 PolarHBondContact O-N 3.11Å; T161-Y165 VanDerWaalsContact O-N 3.09Å
162	Q	96.5	Very high	95.4	Very high	26 Å²	26	38.1 Å²	38.1	12%	0.121	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-43.9	177.8	-170.2	-79.5	-28.5	0	0	111.7	F152 F157 S158 L159 N164 Y165 A166 L176 Y327	F152-Q162 HydrophobicContact CE2-CG 4.35Å; F152-Q162 HydrophobicContact CZ-CG 3.99Å; F157-Q162 HydrophobicContact CD1-CB 4.23Å; S158-Q162 PolarHBondContact O-N 2.89Å; L159-Q162 PolarHBondContact O-N 2.87Å; Q162-N164 VanDerWaalsContact C-N 3.33Å; Q162-N164 PolarHBondContact O-N 3.21Å; Q162-Y165 PolarHBondContact O-N 3.33Å; Q162-A166 WeakPolarHBondContact O-CB 3.06Å; Q162-A166 PolarHBondContact O-N 2.76Å; Q162-L176 HydrophobicContact CG-CD2 4.02Å; Q162-Y327 HydrophobicContact CB-CD2 3.6Å; Q162-Y327 HydrophobicContact CB-CE2 4Å; Q162-Y327 HydrophobicContact CB-CG 4.17Å; Q162-Y327 HydrophobicContact CG-CD1 4.42Å; Q162-Y327 HydrophobicContact CG-CD2 3.53Å; Q162-Y327 HydrophobicContact CG-CE1 4.4Å; Q162-Y327 HydrophobicContact CG-CE2 3.49Å; Q162-Y327 VanDerWaalsContact CG-CE2 3.49Å; Q162-Y327 HydrophobicContact CG-CG 4.01Å; Q162-Y327 VanDerWaalsContact OE1-CE2 3.23Å
163	E	95.2	Very high	95.1	Very high	71 Å²	71	43 Å²	43	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-58.2	-44.4	175.2	-75.3	176.1	171.7	0	0	111.7	L159 K160 T161 Y165 A166 M167	L159-E163 HydrophobicContact CD1-CG 4.08Å; L159-E163 HydrophobicContact CG-CG 4.4Å; L159-E163 WeakPolarHBondContact O-CG 3.44Å; L159-E163 PolarHBondContact O-N 3.33Å; K160-E163 PolarHBondContact O-N 2.79Å; T161-E163 PolarHBondContact O-N 3.37Å; E163-Y165 PolarHBondContact O-N 3.2Å; E163-A166 PolarHBondContact O-N 3.03Å; E163-M167 WeakPolarHBondContact O-CB 3.36Å; E163-M167 WeakPolarHBondContact O-CG 3.43Å; E163-M167 PolarHBondContact O-N 3.36Å
164	N	95.6	Very high	94.9	Very high	45 Å²	45	45.2 Å²	45.2	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-44.4	178.9	-67.2	-19.3	0	0	0	111.4	V133 K160 T161 Q162 M167 S168	V133-N164 HydrophobicContact CB-CB 4.29Å; V133-N164 HydrophobicContact CG1-CB 3.91Å; V133-N164 HydrophobicContact CG2-CB 4.39Å; K160-N164 WeakPolarHBondContact CE-OD1 3.38Å; K160-N164 PolarHBondContact NZ-OD1 2.75Å; K160-N164 PolarHBondContact O-N 2.55Å; K160-N164 PolarHBondContact O-ND2 3.01Å; K160-N164 PolarHBondContact O-OD1 2.79Å; T161-N164 PolarHBondContact O-N 3.11Å; Q162-N164 VanDerWaalsContact C-N 3.33Å; Q162-N164 PolarHBondContact O-N 3.21Å; N164-M167 WeakPolarHBondContact OD1-CE 3.43Å; N164-S168 WeakPolarHBondContact O-CB 3.42Å; N164-S168 PolarHBondContact O-N 3.3Å; N164-S168 PolarHBondContact O-OG 3.31Å
165	Y	97.2	Very high	94.8	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-43.9	174.2	-84.6	-74.6	0	0	0	112.1	I66 V133 V136 L140 F157 T161 Q162 E163 M167 S168 L169	I66-Y165 HydrophobicContact CD1-CD1 4.24Å; I66-Y165 HydrophobicContact CD1-CE1 3.95Å; V133-Y165 HydrophobicContact CB-CE2 4.5Å; V133-Y165 HydrophobicContact CG1-CD1 3.67Å; V133-Y165 HydrophobicContact CG1-CD2 3.74Å; V133-Y165 HydrophobicContact CG1-CE1 3.82Å; V133-Y165 HydrophobicContact CG1-CE2 3.9Å; V133-Y165 HydrophobicContact CG1-CG 3.62Å; V133-Y165 HydrophobicContact CG2-CD2 4.35Å; V133-Y165 HydrophobicContact CG2-CE2 3.94Å; V136-Y165 HydrophobicContact CB-CE1 3.96Å; V136-Y165 HydrophobicContact CG1-CE1 3.8Å; V136-Y165 WeakPolarHBondContact CG1-OH 3.17Å; L140-Y165 HydrophobicContact CD1-CE1 4.3Å; F157-Y165 HydrophobicContact CD1-CD2 4.24Å; F157-Y165 AromaticContact CE1-CD2 3.45Å; F157-Y165 HydrophobicContact CE1-CD2 3.45Å; F157-Y165 VanDerWaalsContact CE1-CD2 3.45Å; F157-Y165 AromaticContact CE1-CE2 3.64Å; F157-Y165 HydrophobicContact CE1-CE2 3.64Å; F157-Y165 HydrophobicContact CE1-CG 4.3Å; F157-Y165 HydrophobicContact CZ-CD2 4.23Å; F157-Y165 AromaticContact CZ-CE2 4Å; F157-Y165 HydrophobicContact CZ-CE2 4Å; T161-Y165 HydrophobicContact CG2-CD2 3.97Å; T161-Y165 HydrophobicContact CG2-CE2 3.87Å; T161-Y165 WeakPolarHBondContact O-CD2 3.48Å; T161-Y165 PolarHBondContact O-N 3.11Å; T161-Y165 VanDerWaalsContact O-N 3.09Å; Q162-Y165 PolarHBondContact O-N 3.33Å; E163-Y165 PolarHBondContact O-N 3.2Å; Y165-M167 PolarHBondContact O-N 3.05Å; Y165-S168 PolarHBondContact O-N 3.13Å; Y165-L169 WeakPolarHBondContact O-CB 2.96Å; Y165-L169 VanDerWaalsContact O-CG 3.26Å; Y165-L169 WeakPolarHBondContact O-CG 3.28Å; Y165-L169 PolarHBondContact O-N 3.14Å
166	A	94.8	Very high	94.7	Very high	37 Å²	37	49 Å²	49	31%	0.306	26%	0.263	S	S	.	.	H	α-helix	trans	-59.1	-47.3	179.7	0	0	0	0	0	111.3	Q162 E163 L169 E170	Q162-A166 WeakPolarHBondContact O-CB 3.06Å; Q162-A166 PolarHBondContact O-N 2.76Å; E163-A166 PolarHBondContact O-N 3.03Å; A166-L169 PolarHBondContact O-N 3.34Å; A166-E170 WeakPolarHBondContact O-CB 3.27Å; A166-E170 PolarHBondContact O-N 2.94Å
167	M	94.6	Very high	94.6	Very high	109 Å²	109	52 Å²	52	54%	0.537	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-45.3	176.1	-71.7	-175.6	-62.3	0	0	112.1	E163 N164 Y165 L169 E170	E163-M167 WeakPolarHBondContact O-CB 3.36Å; E163-M167 WeakPolarHBondContact O-CG 3.43Å; E163-M167 PolarHBondContact O-N 3.36Å; N164-M167 WeakPolarHBondContact OD1-CE 3.43Å; Y165-M167 PolarHBondContact O-N 3.05Å; M167-L169 PolarHBondContact O-N 3.01Å; M167-E170 PolarHBondContact O-N 3.18Å
168	S	94.8	Very high	94.5	Very high	35 Å²	35	53.7 Å²	53.7	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-24.2	-179.8	-64.7	0	0	0	0	113.5	N164 Y165	N164-S168 WeakPolarHBondContact O-CB 3.42Å; N164-S168 PolarHBondContact O-N 3.3Å; N164-S168 PolarHBondContact O-OG 3.31Å; Y165-S168 PolarHBondContact O-N 3.13Å
169	L	94.3	Very high	94.6	Very high	4 Å²	4	54 Å²	54	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-98	-13.5	-179.3	-65.1	170.8	0	0	0	113.8	A137 L140 I141 I150 Y165 A166 M167 S171 S172 R174 L176	A137-L169 HydrophobicContact CB-CD2 4.13Å; A137-L169 HydrophobicContact CB-CG 4.39Å; L140-L169 HydrophobicContact CB-CD2 4.38Å; I141-L169 HydrophobicContact CD1-CD2 4.28Å; I141-L169 HydrophobicContact CG1-CD2 3.97Å; I150-L169 HydrophobicContact CD1-CD1 3.8Å; I150-L169 HydrophobicContact CD1-CD2 4.01Å; Y165-L169 WeakPolarHBondContact O-CB 2.96Å; Y165-L169 VanDerWaalsContact O-CG 3.26Å; Y165-L169 WeakPolarHBondContact O-CG 3.28Å; Y165-L169 PolarHBondContact O-N 3.14Å; A166-L169 PolarHBondContact O-N 3.34Å; M167-L169 PolarHBondContact O-N 3.01Å; L169-S171 PolarHBondContact O-N 2.84Å; L169-S172 WeakPolarHBondContact O-CB 3.43Å; L169-S172 PolarHBondContact O-N 3.21Å; L169-S172 PolarHBondContact O-OG 2.95Å; L169-R174 HydrophobicContact CD2-CB 4.39Å; L169-L176 HydrophobicContact CD1-CD1 4.44Å
170	E	86.7	Confident	94.5	Very high	158 Å²	158	56.7 Å²	56.7	74%	0.738	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-54.5	-49.2	-169.5	-173.4	176	-160.9	0	0	113.6	A166 M167 S172	A166-E170 WeakPolarHBondContact O-CB 3.27Å; A166-E170 PolarHBondContact O-N 2.94Å; M167-E170 PolarHBondContact O-N 3.18Å; E170-S172 PolarHBondContact O-N 3.17Å; E170-S172 VanDerWaalsContact O-N 3.14Å
171	S	89.3	Confident	94.6	Very high	119 Å²	119	57.7 Å²	57.7	83%	0.832	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-72.9	-6	-176.8	64	0	0	0	0	114.1	L169	L169-S171 PolarHBondContact O-N 2.84Å
172	S	91.8	Very high	94.6	Very high	14 Å²	14	55.8 Å²	55.8	10%	0.098	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-106.7	-1.9	-164	84.6	0	0	0	0	112.7	L169 E170 R174	L169-S172 WeakPolarHBondContact O-CB 3.43Å; L169-S172 PolarHBondContact O-N 3.21Å; L169-S172 PolarHBondContact O-OG 2.95Å; E170-S172 PolarHBondContact O-N 3.17Å; E170-S172 VanDerWaalsContact O-N 3.14Å; S172-R174 VanDerWaalsContact C-N 3.27Å; S172-R174 WeakPolarHBondContact O-CD 3.04Å; S172-R174 PolarHBondContact O-N 3Å; S172-R174 PolarHBondContact O-NH1 2.88Å; S172-R174 WeakPolarHBondContact OG-CD 3.48Å
173	N	92.5	Very high	94.7	Very high	106 Å²	106	54.8 Å²	54.8	57%	0.567	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	36.2	-176.8	-167.8	34.3	0	0	0	113	A146 G147	A146-N173 HydrophobicContact CB-CB 4.39Å; G147-N173 WeakPolarHBondContact CA-O 3.33Å; G147-N173 PolarHBondContact N-O 3.22Å
174	R	94.8	Very high	94.9	Very high	51 Å²	51	51.4 Å²	51.4	19%	0.192	29%	0.286	C	S	.	.			trans	-104.4	143.4	170.9	-80.8	61.8	169.4	-151.1	-1	108.8	I141 V144 I150 L169 S172	I141-R174 PolarHBondContact O-NH2 2.82Å; V144-R174 HydrophobicContact CB-CG 4.36Å; V144-R174 HydrophobicContact CG1-CG 4.14Å; V144-R174 PolarHBondContact O-NE 3.03Å; V144-R174 PolarHBondContact O-NH2 3.17Å; I150-R174 HydrophobicContact CD1-CB 3.84Å; I150-R174 HydrophobicContact CD1-CG 4.09Å; L169-R174 HydrophobicContact CD2-CB 4.39Å; S172-R174 VanDerWaalsContact C-N 3.27Å; S172-R174 WeakPolarHBondContact O-CD 3.04Å; S172-R174 PolarHBondContact O-N 3Å; S172-R174 PolarHBondContact O-NH1 2.88Å; S172-R174 WeakPolarHBondContact OG-CD 3.48Å
175	I	94.7	Very high	95	Very high	84 Å²	84	51.1 Å²	51.1	43%	0.431	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116	-174.2	-57.8	173	0	0	0	109.1	G148 N149 I150 K177	G148-I175 PolarHBondContact O-N 2.92Å; N149-I175 CarbonylContact C-O 3.55Å; N149-I175 WeakPolarHBondContact CA-O 3.28Å; I150-I175 PolarHBondContact N-O 2.92Å; I175-K177 PolarHBondContact O-N 2.93Å
176	L	96.1	Very high	95	Very high	34 Å²	34	56.3 Å²	56.3	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.2	171	-168	67.1	0	0	0	109.2	I66 I150 F152 Q162 L169	I66-L176 HydrophobicContact CD1-CD1 4.31Å; I150-L176 HydrophobicContact CB-CD1 4.26Å; I150-L176 HydrophobicContact CG2-CD1 3.97Å; I150-L176 CarbonylContact O-C 3.44Å; I150-L176 WeakPolarHBondContact O-CA 3.4Å; F152-L176 HydrophobicContact CD1-CD1 3.76Å; F152-L176 HydrophobicContact CD1-CD2 4.29Å; F152-L176 HydrophobicContact CD1-CG 3.68Å; F152-L176 HydrophobicContact CE1-CD1 4.24Å; F152-L176 HydrophobicContact CE1-CD2 4.03Å; F152-L176 HydrophobicContact CE1-CG 3.62Å; Q162-L176 HydrophobicContact CG-CD2 4.02Å; L169-L176 HydrophobicContact CD1-CD1 4.44Å
177	K	96.6	Very high	95.1	Very high	70 Å²	70	54.8 Å²	54.8	30%	0.304	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115	-170.4	-176.4	176.1	178.4	176.4	0	110.9	L60 V62 N149 I150 G151 F152 I175 I179	L60-K177 PolarHBondContact O-NZ 3.18Å; V62-K177 HydrophobicContact CG2-CD 4.47Å; N149-K177 HydrophobicContact CB-CB 4.35Å; N149-K177 HydrophobicContact CB-CD 4.16Å; I150-K177 PolarHBondContact O-N 2.64Å; G151-K177 WeakPolarHBondContact CA-O 3.45Å; F152-K177 VanDerWaalsContact CD1-O 3.31Å; F152-K177 WeakPolarHBondContact CD1-O 3.41Å; F152-K177 PolarHBondContact N-O 3.39Å; F152-K177 VanDerWaalsContact N-O 3.1Å; I175-K177 PolarHBondContact O-N 2.93Å; K177-I179 HydrophobicContact CG-CG1 4.26Å
178	S	97.2	Very high	95.2	Very high	38 Å²	38	51.1 Å²	51.1	27%	0.266	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.4	173.3	176.6	0	0	0	0	110.6	P154 E331	P154-S178 WeakPolarHBondContact CB-OG 3.47Å; P154-S178 VanDerWaalsContact CG-OG 3.3Å; P154-S178 WeakPolarHBondContact CG-OG 3.31Å; S178-E331 PolarHBondContact OG-OE2 3.43Å
179	I	97.4	Very high	95.2	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.072	30%	0.298	C	S	.	.			trans	-132	92.4	179.1	-55.5	171.5	0	0	0	108.7	L60 V62 F152 P154 K177 V181 L183	L60-I179 HydrophobicContact CD1-CD1 4.26Å; L60-I179 HydrophobicContact CD1-CG2 4.09Å; V62-I179 HydrophobicContact CG2-CD1 3.54Å; F152-I179 PolarHBondContact O-N 3.35Å; P154-I179 VanDerWaalsContact CD-C 3.45Å; P154-I179 VanDerWaalsContact CD-O 3.31Å; P154-I179 WeakPolarHBondContact CD-O 3.48Å; K177-I179 HydrophobicContact CG-CG1 4.26Å; I179-V181 WeakPolarHBondContact CG2-O 3.22Å; I179-V181 PolarHBondContact O-N 2.63Å; I179-V181 VanDerWaalsContact O-N 3.11Å; I179-L183 HydrophobicContact CG2-CD2 4.39Å
180	P	94.4	Very high	95.1	Very high	58 Å²	58	64 Å²	64	38%	0.377	34%	0.335	S	S	.	.	S	Bend	trans	-62.1	-18.5	-176	-26	34.5	0	0	0	115.9	P154	P154-P180 HydrophobicContact CG-CB 4.28Å; P154-P180 HydrophobicContact CG-CG 4.04Å
181	V	95.4	Very high	95.6	Very high	86 Å²	86	59 Å²	59	52%	0.521	31%	0.309	S	S	.	.	S	Bend	trans	-90.4	111.9	173.1	178.7	0	0	0	0	108.2	I179 L183 Q186	I179-V181 WeakPolarHBondContact CG2-O 3.22Å; I179-V181 PolarHBondContact O-N 2.63Å; I179-V181 VanDerWaalsContact O-N 3.11Å; V181-L183 PolarHBondContact O-N 3.26Å; V181-Q186 HydrophobicContact CG1-CG 4.36Å
182	N	97.9	Very high	95.9	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	29%	0.285	C	S	.	.			trans	-65.4	122.4	179.7	-164.2	-68.8	0	0	0	111.4	R84 D153 V184 D185	R84-N182 WeakPolarHBondContact CD-ND2 3.06Å; R84-N182 PolarHBondContact NE-ND2 3Å; D153-N182 VanDerWaalsContact OD2-CB 3.3Å; D153-N182 WeakPolarHBondContact OD2-CB 3.41Å; D153-N182 PolarHBondContact OD2-ND2 3.48Å; N182-V184 VanDerWaalsContact C-N 3.33Å; N182-V184 PolarHBondContact O-N 3.45Å; N182-V184 VanDerWaalsContact OD1-CB 3.27Å; N182-V184 WeakPolarHBondContact OD1-CB 2.99Å; N182-V184 PolarHBondContact OD1-N 3.06Å; N182-D185 HydrophobicContact CB-CB 4.19Å; N182-D185 PolarHBondContact O-N 3.19Å; N182-D185 PolarHBondContact OD1-N 3.27Å
183	L	98.3	Very high	95.8	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.026	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-25.3	-177.2	-55.3	-173.9	0	0	0	113.5	L53 M57 L60 Y65 I179 V181 D185 Q186	L53-L183 HydrophobicContact CD1-CB 3.59Å; M57-L183 HydrophobicContact CG-CD1 3.97Å; L60-L183 HydrophobicContact CD1-CD1 4.13Å; L60-L183 HydrophobicContact CD1-CD2 3.59Å; L60-L183 HydrophobicContact CD1-CG 4.46Å; Y65-L183 HydrophobicContact CD2-CD1 3.77Å; Y65-L183 HydrophobicContact CD2-CG 4.31Å; Y65-L183 HydrophobicContact CE1-CB 4.07Å; Y65-L183 HydrophobicContact CE1-CG 4.42Å; Y65-L183 HydrophobicContact CE2-CB 4.37Å; Y65-L183 HydrophobicContact CE2-CD1 3.79Å; Y65-L183 HydrophobicContact CE2-CG 3.83Å; Y65-L183 HydrophobicContact CG-CD1 4.2Å; Y65-L183 PolarHBondContact OH-N 3.27Å; I179-L183 HydrophobicContact CG2-CD2 4.39Å; V181-L183 PolarHBondContact O-N 3.26Å; L183-D185 VanDerWaalsContact C-N 3.34Å; L183-Q186 PolarHBondContact O-N 3.09Å
184	V	98.4	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-38.9	174.9	-177.5	0	0	0	0	110.2	Y65 I67 R84 F87 M88 N182 Q186 V187 W188	Y65-V184 HydrophobicContact CE1-CG2 4.34Å; I67-V184 HydrophobicContact CD1-CG2 3.77Å; I67-V184 HydrophobicContact CG1-CG2 4.22Å; I67-V184 HydrophobicContact CG2-CG2 4.15Å; R84-V184 HydrophobicContact CB-CB 4.21Å; R84-V184 HydrophobicContact CB-CG1 3.89Å; R84-V184 HydrophobicContact CB-CG2 4.42Å; R84-V184 HydrophobicContact CG-CB 4.23Å; R84-V184 HydrophobicContact CG-CG1 4.06Å; F87-V184 HydrophobicContact CD1-CG1 3.62Å; F87-V184 HydrophobicContact CE1-CG1 4.07Å; M88-V184 HydrophobicContact CG-CB 4.5Å; M88-V184 HydrophobicContact CG-CG1 3.77Å; M88-V184 HydrophobicContact CG-CG2 3.88Å; M88-V184 HydrophobicContact SD-CG1 3.93Å; M88-V184 HydrophobicContact SD-CG2 4.26Å; N182-V184 VanDerWaalsContact C-N 3.33Å; N182-V184 PolarHBondContact O-N 3.45Å; N182-V184 VanDerWaalsContact OD1-CB 3.27Å; N182-V184 WeakPolarHBondContact OD1-CB 2.99Å; N182-V184 PolarHBondContact OD1-N 3.06Å; V184-Q186 PolarHBondContact O-N 3.12Å; V184-V187 VanDerWaalsContact O-CG2 3.23Å; V184-V187 WeakPolarHBondContact O-CG2 3.08Å; V184-V187 PolarHBondContact O-N 2.77Å; V184-V187 VanDerWaalsContact O-N 3.07Å; V184-W188 HydrophobicContact CG1-CE3 4.49Å; V184-W188 WeakPolarHBondContact O-CB 3.17Å; V184-W188 PolarHBondContact O-N 3.28Å
185	D	97.7	Very high	95	Very high	39 Å²	39	59.5 Å²	59.5	21%	0.209	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.7	178.4	-65.9	-7	0	0	0	112.1	R84 N182 L183 V187 R191	R84-D185 IonicContact CZ-OD1 3.14Å; R84-D185 IonicContact CZ-OD2 2.86Å; R84-D185 IonicContact NE-OD1 3.92Å; R84-D185 PolarHBondContact NE-OD1 3.29Å; R84-D185 IonicContact NE-OD2 2.78Å; R84-D185 IonicContact NH2-OD1 3.89Å; R84-D185 PolarHBondContact NH2-OD1 2.95Å; R84-D185 IonicContact NH2-OD2 2.63Å; R84-D185 PolarHBondContact NH2-OD2 2.87Å; N182-D185 HydrophobicContact CB-CB 4.19Å; N182-D185 PolarHBondContact O-N 3.19Å; N182-D185 PolarHBondContact OD1-N 3.27Å; L183-D185 VanDerWaalsContact C-N 3.34Å; D185-V187 VanDerWaalsContact C-N 3.31Å; D185-R191 IonicContact OD1-CZ 2.66Å; D185-R191 IonicContact OD1-NE 3.9Å; D185-R191 IonicContact OD1-NH1 2.69Å; D185-R191 PolarHBondContact OD1-NH1 3.19Å; D185-R191 IonicContact OD1-NH2 3.74Å; D185-R191 IonicContact OD2-CZ 3.35Å; D185-R191 IonicContact OD2-NH1 3.01Å; D185-R191 PolarHBondContact OD2-NH1 2.89Å; D185-R191 IonicContact OD2-NH2 2.77Å
186	Q	97.1	Very high	94.7	Very high	114 Å²	114	59.8 Å²	59.8	53%	0.533	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.6	177.8	-60.2	-57.6	-59.3	0	0	113.5	Q56 V181 L183 V184	Q56-Q186 HydrophobicContact CG-CB 4.31Å; V181-Q186 HydrophobicContact CG1-CG 4.36Å; L183-Q186 PolarHBondContact O-N 3.09Å; V184-Q186 PolarHBondContact O-N 3.12Å
187	V	96.9	Very high	94.5	Very high	6 Å²	6	62.4 Å²	62.4	4%	0.036	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-13.7	-178.3	-56.3	0	0	0	0	112.4	E52 Q56 F87 M88 V184 D185 K189	E52-V187 HydrophobicContact CB-CB 3.92Å; E52-V187 HydrophobicContact CB-CG1 3.59Å; Q56-V187 HydrophobicContact CG-CG1 3.84Å; F87-V187 HydrophobicContact CE1-CG2 4.09Å; M88-V187 HydrophobicContact SD-CG2 4.43Å; V184-V187 VanDerWaalsContact O-CG2 3.23Å; V184-V187 WeakPolarHBondContact O-CG2 3.08Å; V184-V187 PolarHBondContact O-N 2.77Å; V184-V187 VanDerWaalsContact O-N 3.07Å; D185-V187 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 3.1Å; V187-K189 VanDerWaalsContact O-N 3.11Å
188	W	97.2	Very high	94.4	Very high	32 Å²	32	62 Å²	62	12%	0.121	35%	0.345	C	S	.	.			trans	-84.8	81	177.8	-164.9	-5.2	0	0	0	112.2	P80 A83 R84 F87 V184 D190 R191 P192	P80-W188 VanDerWaalsContact O-CH2 3.24Å; P80-W188 WeakPolarHBondContact O-CH2 3.44Å; A83-W188 HydrophobicContact CB-CH2 4.41Å; R84-W188 HydrophobicContact CG-CE3 4.35Å; R84-W188 HydrophobicContact CG-CZ3 4.03Å; F87-W188 HydrophobicContact CB-CD2 4.11Å; F87-W188 HydrophobicContact CB-CE3 4.12Å; F87-W188 HydrophobicContact CB-CH2 3.99Å; F87-W188 HydrophobicContact CB-CZ2 4Å; F87-W188 HydrophobicContact CB-CZ3 4.07Å; F87-W188 HydrophobicContact CD1-CB 4.22Å; F87-W188 HydrophobicContact CD1-CD2 4.12Å; F87-W188 HydrophobicContact CD1-CE3 4.32Å; F87-W188 HydrophobicContact CD1-CG 4.11Å; F87-W188 AromaticContact CD2-CD1 3.63Å; F87-W188 AromaticContact CD2-CD2 3.87Å; F87-W188 HydrophobicContact CD2-CD2 3.87Å; F87-W188 AromaticContact CD2-CE2 3.7Å; F87-W188 AromaticContact CD2-CG 3.83Å; F87-W188 HydrophobicContact CD2-CG 3.83Å; F87-W188 HydrophobicContact CD2-CZ2 4.33Å; F87-W188 AromaticContact CD2-NE1 3.55Å; F87-W188 HydrophobicContact CE1-CB 3.87Å; F87-W188 HydrophobicContact CE1-CG 4.09Å; F87-W188 HydrophobicContact CE2-CB 4.27Å; F87-W188 AromaticContact CE2-CD1 3.48Å; F87-W188 VanDerWaalsContact CE2-CD1 3.48Å; F87-W188 HydrophobicContact CE2-CD2 4.35Å; F87-W188 AromaticContact CE2-CG 3.8Å; F87-W188 HydrophobicContact CE2-CG 3.8Å; F87-W188 AromaticContact CE2-NE1 3.85Å; F87-W188 AromaticContact CG-CD2 3.74Å; F87-W188 HydrophobicContact CG-CD2 3.74Å; F87-W188 AromaticContact CG-CE2 3.88Å; F87-W188 HydrophobicContact CG-CE3 4.11Å; F87-W188 AromaticContact CG-CG 3.98Å; F87-W188 HydrophobicContact CG-CG 3.98Å; F87-W188 HydrophobicContact CG-CZ2 4.34Å; F87-W188 HydrophobicContact CZ-CB 3.89Å; F87-W188 AromaticContact CZ-CD1 3.98Å; F87-W188 AromaticContact CZ-CG 3.93Å; F87-W188 HydrophobicContact CZ-CG 3.93Å; V184-W188 HydrophobicContact CG1-CE3 4.49Å; V184-W188 WeakPolarHBondContact O-CB 3.17Å; V184-W188 PolarHBondContact O-N 3.28Å; W188-D190 PolarHBondContact O-N 3.36Å; W188-R191 HydrophobicContact CB-CB 4.29Å; W188-R191 HydrophobicContact CD2-CB 3.93Å; W188-R191 HydrophobicContact CD2-CG 3.93Å; W188-R191 HydrophobicContact CE3-CB 4.43Å; W188-R191 HydrophobicContact CE3-CG 3.95Å; W188-R191 HydrophobicContact CG-CB 3.83Å; W188-R191 HydrophobicContact CG-CG 4.32Å; W188-R191 HydrophobicContact CZ3-CG 4.37Å; W188-R191 WeakPolarHBondContact O-CB 3.49Å; W188-R191 PolarHBondContact O-N 2.44Å; W188-P192 HydrophobicContact CZ2-CG 4.4Å
189	K	93.8	Very high	94.4	Very high	160 Å²	160	60.6 Å²	60.6	70%	0.696	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-42.1	-175.4	-65	169.6	-169.3	154.8	0	113.7	E52 V187	E52-K189 IonicContact OE1-NZ 3.43Å; E52-K189 PolarHBondContact OE1-NZ 3.46Å; E52-K189 IonicContact OE2-NZ 3.47Å; V187-K189 PolarHBondContact O-N 3.1Å; V187-K189 VanDerWaalsContact O-N 3.11Å
190	D	94.2	Very high	94.3	Very high	148 Å²	148	63.5 Å²	63.5	79%	0.791	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	37	-177.8	-56.3	-46.2	0	0	0	112.3	W188 P192	W188-D190 PolarHBondContact O-N 3.36Å; D190-P192 WeakPolarHBondContact O-CD 3.44Å
191	R	95.8	Very high	94.4	Very high	53 Å²	53	65.2 Å²	65.2	20%	0.2	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-58.9	127.3	-179.6	-173.8	179.8	177	-164.4	4	110.8	R81 D82 D185 W188	R81-R191 PolarHBondContact O-NE 2.96Å; R81-R191 PolarHBondContact O-NH2 3.34Å; D82-R191 IonicContact OD1-NH2 2.7Å; D82-R191 PolarHBondContact OD1-NH2 3.4Å; D82-R191 VanDerWaalsContact OD1-NH2 3.12Å; D185-R191 IonicContact OD1-CZ 2.66Å; D185-R191 IonicContact OD1-NE 3.9Å; D185-R191 IonicContact OD1-NH1 2.69Å; D185-R191 PolarHBondContact OD1-NH1 3.19Å; D185-R191 IonicContact OD1-NH2 3.74Å; D185-R191 IonicContact OD2-CZ 3.35Å; D185-R191 IonicContact OD2-NH1 3.01Å; D185-R191 PolarHBondContact OD2-NH1 2.89Å; D185-R191 IonicContact OD2-NH2 2.77Å; W188-R191 HydrophobicContact CB-CB 4.29Å; W188-R191 HydrophobicContact CD2-CB 3.93Å; W188-R191 HydrophobicContact CD2-CG 3.93Å; W188-R191 HydrophobicContact CE3-CB 4.43Å; W188-R191 HydrophobicContact CE3-CG 3.95Å; W188-R191 HydrophobicContact CG-CB 3.83Å; W188-R191 HydrophobicContact CG-CG 4.32Å; W188-R191 HydrophobicContact CZ3-CG 4.37Å; W188-R191 WeakPolarHBondContact O-CB 3.49Å; W188-R191 PolarHBondContact O-N 2.44Å
192	P	95.4	Very high	94.4	Very high	50 Å²	50	61.6 Å²	61.6	33%	0.325	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57.4	145.8	179.5	-26.2	33.7	0	0	0	113.3	P80 R81 W188 D190	P80-P192 HydrophobicContact CB-CB 4.39Å; P80-P192 HydrophobicContact CB-CG 4.2Å; R81-P192 HydrophobicContact CB-CB 4.16Å; R81-P192 WeakPolarHBondContact CB-O 3.34Å; W188-P192 HydrophobicContact CZ2-CG 4.4Å; D190-P192 WeakPolarHBondContact O-CD 3.44Å
193	Q	90.8	Very high	94.2	Very high	174 Å²	174	63.3 Å²	63.3	81%	0.813	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-77	157.4	173.7	-64.4	-62.4	-48.5	0	0	111.1
194	A	86.1	Confident	94	Very high	36 Å²	36	68 Å²	68	30%	0.298	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-71.4	148.4	170.2	0	0	0	0	0	110.7
195	P	84.3	Confident	93.8	Very high	42 Å²	42	73.8 Å²	73.8	27%	0.273	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-56.2	142.4	172.6	-25.7	36.5	0	0	0	112
196	A	87	Confident	93.6	Very high	89 Å²	89	72.1 Å²	72.1	74%	0.736	38%	0.379	S	S	*	.			trans	-96.5	-1	-179	0	0	0	0	0	113.3
197	D	91.9	Very high	93.4	Very high	89 Å²	89	67.8 Å²	67.8	48%	0.476	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-62.9	145.6	-173.7	-62.9	-59.9	0	0	0	112.3	N249 R276	D197-N249 PolarHBondContact OD2-ND2 3.07Å; D197-R276 PolarHBondContact O-NE 2.9Å; D197-R276 PolarHBondContact O-NH2 3.09Å
198	S	95.3	Very high	93.3	Very high	62 Å²	62	72 Å²	72	43%	0.434	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-70.3	152.4	176.9	-64.6	0	0	0	0	112
199	L	96.7	Very high	93.2	Very high	8 Å²	8	72.6 Å²	72.6	4%	0.042	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-69.2	161.6	172.5	-53.7	-174.3	0	0	0	110.8	F257 V272 R276 V277 L281	L199-F257 HydrophobicContact CD1-CD1 4.45Å; L199-F257 HydrophobicContact CD1-CD2 3.78Å; L199-F257 HydrophobicContact CD1-CE2 4.03Å; L199-F257 HydrophobicContact CD1-CG 4.02Å; L199-F257 HydrophobicContact CD1-CZ 4.47Å; L199-F257 HydrophobicContact CD2-CB 3.43Å; L199-F257 VanDerWaalsContact CD2-CB 3.43Å; L199-F257 HydrophobicContact CD2-CD1 4.1Å; L199-F257 HydrophobicContact CD2-CD2 4.17Å; L199-F257 HydrophobicContact CD2-CG 3.64Å; L199-F257 HydrophobicContact CG-CG 4.48Å; L199-V272 HydrophobicContact CD1-CG2 4.09Å; L199-R276 HydrophobicContact CG-CB 4.39Å; L199-R276 PolarHBondContact N-O 3.22Å; L199-R276 VanDerWaalsContact N-O 3.08Å; L199-V277 HydrophobicContact CD1-CG2 4.3Å; L199-L281 HydrophobicContact CB-CD1 3.66Å; L199-L281 WeakPolarHBondContact O-CD1 3.31Å
200	T	95.7	Very high	93.4	Very high	75 Å²	75	67.7 Å²	67.7	46%	0.46	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.8	176.4	59.1	0	0	0	0	111.1	L246 R247	T200-L246 CarbonylContact O-C 3.47Å; T200-L246 VanDerWaalsContact O-CA 3.29Å; T200-L246 WeakPolarHBondContact O-CA 3.47Å; T200-R247 PolarHBondContact N-O 3.48Å; T200-R247 PolarHBondContact O-N 2.83Å; T200-R247 PolarHBondContact OG1-O 3.13Å
201	R	95.7	Very high	93.5	Very high	94 Å²	94	60.6 Å²	60.6	36%	0.355	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.4	170.7	158.1	-177	177.8	-175.1	3.5	109.6	D204 N245 L246 L281 Y284	R201-D204 IonicContact CZ-OD1 3.47Å; R201-D204 IonicContact NE-OD1 2.6Å; R201-D204 IonicContact NH2-OD1 3.57Å; R201-D204 PolarHBondContact NH2-OD1 2.74Å; R201-D204 IonicContact NH2-OD2 3.63Å; R201-D204 PolarHBondContact NH2-OD2 3.39Å; R201-N245 WeakPolarHBondContact CA-O 3.13Å; R201-L246 HydrophobicContact CB-CD2 3.94Å; R201-L281 HydrophobicContact CB-CD2 3.83Å; R201-Y284 HydrophobicContact CB-CD1 4.45Å; R201-Y284 HydrophobicContact CB-CE1 4.31Å; R201-Y284 HydrophobicContact CG-CE1 4.11Å; R201-Y284 HydrophobicContact CG-CE2 4.32Å; R201-Y284 VanDerWaalsContact CZ-CD2 3.45Å; R201-Y284 VanDerWaalsContact NH1-CE2 3.34Å
202	L	95.8	Very high	93.7	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.052	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-66.5	136.7	168.3	-64.3	-179.3	0	0	0	111.7	V206 I207 N245 R247 Y526	L202-V206 HydrophobicContact CB-CG2 4.06Å; L202-V206 HydrophobicContact CD2-CG2 4.49Å; L202-I207 HydrophobicContact CB-CG2 3.8Å; L202-I207 HydrophobicContact CD1-CG2 3.66Å; L202-I207 HydrophobicContact CG-CG2 4.43Å; L202-N245 HydrophobicContact CB-CB 4.39Å; L202-N245 HydrophobicContact CD1-CB 4.32Å; L202-N245 PolarHBondContact N-O 3.28Å; L202-R247 HydrophobicContact CD2-CG 3.67Å; L202-R247 HydrophobicContact CG-CG 4.31Å; L202-Y526 HydrophobicContact CD2-CD1 3.64Å; L202-Y526 HydrophobicContact CD2-CE1 4.1Å
203	P	94.6	Very high	93.8	Very high	44 Å²	44	62.7 Å²	62.7	29%	0.286	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-68.5	148.7	177.4	27.9	-32.9	0	0	0	111.8	R205 V206	P203-R205 HydrophobicContact CB-CG 4.39Å; P203-R205 HydrophobicContact CG-CG 4.41Å; P203-R205 PolarHBondContact O-N 3.16Å; P203-V206 HydrophobicContact CG-CG1 4.24Å; P203-V206 HydrophobicContact CG-CG2 3.88Å; P203-V206 VanDerWaalsContact O-CG2 3.32Å; P203-V206 WeakPolarHBondContact O-CG2 3.49Å; P203-V206 PolarHBondContact O-N 3.27Å
204	D	93.4	Very high	94.2	Very high	103 Å²	103	54.7 Å²	54.7	55%	0.551	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-58.2	-27.6	-175.6	-67.4	-20.6	0	0	0	114	R201 V206 I207	R201-D204 IonicContact CZ-OD1 3.47Å; R201-D204 IonicContact NE-OD1 2.6Å; R201-D204 IonicContact NH2-OD1 3.57Å; R201-D204 PolarHBondContact NH2-OD1 2.74Å; R201-D204 IonicContact NH2-OD2 3.63Å; R201-D204 PolarHBondContact NH2-OD2 3.39Å; D204-V206 PolarHBondContact O-N 3.01Å; D204-I207 PolarHBondContact O-N 3.33Å; D204-I207 VanDerWaalsContact O-O 3.06Å
205	R	94.1	Very high	94.8	Very high	121 Å²	121	53 Å²	53	46%	0.457	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.3	-16.1	178.1	74.9	179.1	173.4	105.5	-7.1	114.7	P203 D407	P203-R205 HydrophobicContact CB-CG 4.39Å; P203-R205 HydrophobicContact CG-CG 4.41Å; P203-R205 PolarHBondContact O-N 3.16Å; R205-D407 IonicContact CZ-OD1 3.87Å; R205-D407 IonicContact CZ-OD2 2.7Å; R205-D407 IonicContact NH1-OD1 2.78Å; R205-D407 IonicContact NH1-OD2 3.08Å; R205-D407 PolarHBondContact NH1-OD2 2.7Å; R205-D407 IonicContact NH2-OD1 2.84Å; R205-D407 PolarHBondContact NH2-OD1 2.87Å; R205-D407 IonicContact NH2-OD2 3.36Å; R205-D407 PolarHBondContact NH2-OD2 2.84Å
206	V	94.1	Very high	95.4	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.024	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-112.1	4.7	-178.6	-51	0	0	0	0	113	L202 P203 D204 I361 D454	L202-V206 HydrophobicContact CB-CG2 4.06Å; L202-V206 HydrophobicContact CD2-CG2 4.49Å; P203-V206 HydrophobicContact CG-CG1 4.24Å; P203-V206 HydrophobicContact CG-CG2 3.88Å; P203-V206 VanDerWaalsContact O-CG2 3.32Å; P203-V206 WeakPolarHBondContact O-CG2 3.49Å; P203-V206 PolarHBondContact O-N 3.27Å; D204-V206 PolarHBondContact O-N 3.01Å; V206-I361 HydrophobicContact CB-CD1 3.83Å; V206-I361 HydrophobicContact CG1-CD1 4.48Å; V206-I361 WeakPolarHBondContact O-CD1 3.33Å; V206-D454 HydrophobicContact CB-CB 4.43Å; V206-D454 HydrophobicContact CG1-CB 3.77Å
207	I	93	Very high	96	Very high	24 Å²	24	54.2 Å²	54.2	12%	0.123	27%	0.272	C	S	.	.			trans	-125.5	140.1	177.8	61	171.9	0	0	0	110.4	L202 D204	L202-I207 HydrophobicContact CB-CG2 3.8Å; L202-I207 HydrophobicContact CD1-CG2 3.66Å; L202-I207 HydrophobicContact CG-CG2 4.43Å; D204-I207 PolarHBondContact O-N 3.33Å; D204-I207 VanDerWaalsContact O-O 3.06Å
208	Q	94.1	Very high	96.3	Very high	95 Å²	95	50 Å²	50	44%	0.444	25%	0.25	S	C	.	.	S	Bend	trans	-96.9	-36.7	169.3	-172.2	166.5	-18	0	0	111.9	D355 T357	Q208-D355 PolarHBondContact OE1-OD1 3.05Å; Q208-T357 VanDerWaalsContact OE1-N 3.1Å; Q208-T357 PolarHBondContact OE1-OG1 3.26Å
209	R	95.4	Very high	96.4	Very high	43 Å²	43	47 Å²	47	16%	0.162	23%	0.229	C	C	.	.	S	Bend	trans	-104.2	123.2	-175.5	-66.3	174.2	-77.5	176.6	-5.8	110.2	K214 N245 D355 E358	R209-K214 HydrophobicContact CB-CG 4.01Å; R209-N245 PolarHBondContact O-ND2 3.01Å; R209-D355 IonicContact CZ-OD2 3.43Å; R209-D355 IonicContact NE-OD2 3.1Å; R209-D355 PolarHBondContact NE-OD2 3.33Å; R209-D355 IonicContact NH2-OD2 3.53Å; R209-D355 PolarHBondContact NH2-OD2 3.23Å; R209-E358 IonicContact NH2-OE2 3.38Å; R209-E358 PolarHBondContact NH2-OE2 3.03Å
210	T	97.4	Very high	96.5	Very high	57 Å²	57	49.3 Å²	49.3	35%	0.35	25%	0.246	S	C	.	.			trans	-66.2	162.6	170.9	69.3	0	0	0	0	110.1	Q212 D213 K214	T210-Q212 PolarHBondContact O-N 2.67Å; T210-Q212 PolarHBondContact OG1-OE1 2.98Å; T210-D213 WeakPolarHBondContact CB-OD2 3.44Å; T210-D213 PolarHBondContact N-OD2 2.88Å; T210-D213 VanDerWaalsContact N-OD2 3.15Å; T210-D213 PolarHBondContact O-N 3.25Å; T210-D213 PolarHBondContact OG1-N 2.9Å; T210-D213 VanDerWaalsContact OG1-N 3.15Å; T210-D213 PolarHBondContact OG1-OD2 3.36Å; T210-K214 WeakPolarHBondContact O-CG 3.23Å; T210-K214 PolarHBondContact O-N 2.75Å; T210-K214 VanDerWaalsContact O-N 3.11Å
211	W	98	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-31.1	176.7	70.1	-93.7	0	0	0	111.8	K214 V215 L243 F244 N245 I268 Y284 L293 V295	W211-K214 PolarHBondContact O-N 3.09Å; W211-V215 HydrophobicContact CE3-CG2 3.96Å; W211-V215 HydrophobicContact CZ3-CG2 4.27Å; W211-V215 WeakPolarHBondContact O-CB 3.39Å; W211-V215 WeakPolarHBondContact O-CG2 3.38Å; W211-V215 PolarHBondContact O-N 2.85Å; W211-L243 WeakPolarHBondContact CA-O 3.14Å; W211-L243 VanDerWaalsContact CB-O 3.26Å; W211-L243 WeakPolarHBondContact CB-O 3.27Å; W211-F244 HydrophobicContact CD2-CD1 4.43Å; W211-F244 HydrophobicContact CE3-CD1 4.11Å; W211-F244 HydrophobicContact CE3-CE1 4.25Å; W211-N245 PolarHBondContact N-ND2 3.48Å; W211-I268 HydrophobicContact CH2-CD1 4.49Å; W211-I268 HydrophobicContact CZ3-CD1 3.78Å; W211-Y284 AromaticContact CD1-CE1 3.88Å; W211-Y284 AromaticContact CD1-CE2 3.5Å; W211-Y284 VanDerWaalsContact CD1-CE2 3.5Å; W211-Y284 AromaticContact CD1-CZ 3.27Å; W211-Y284 VanDerWaalsContact CD1-OH 3.25Å; W211-Y284 AromaticContact NE1-CE2 3.79Å; W211-Y284 AromaticContact NE1-CZ 3.86Å; W211-Y284 PolarHBondContact NE1-O 3.21Å; W211-Y284 VanDerWaalsContact NE1-O 3.12Å; W211-L293 HydrophobicContact CH2-CB 4.34Å; W211-L293 VanDerWaalsContact CH2-O 3.31Å; W211-L293 WeakPolarHBondContact CH2-O 3.39Å; W211-L293 HydrophobicContact CZ3-CD2 4.47Å; W211-V295 HydrophobicContact CH2-CG2 3.83Å; W211-V295 HydrophobicContact CZ2-CG2 4.46Å; W211-V295 HydrophobicContact CZ3-CG2 3.95Å
212	Q	98.1	Very high	96.8	Very high	58 Å²	58	44.2 Å²	44.2	27%	0.271	22%	0.222	S	C	.	.	H	α-helix	trans	-64.6	-45	175.4	-62.2	90	-28.3	0	0	111.2	T210 K214 V215 E216 L293	T210-Q212 PolarHBondContact O-N 2.67Å; T210-Q212 PolarHBondContact OG1-OE1 2.98Å; Q212-K214 VanDerWaalsContact C-N 3.3Å; Q212-K214 PolarHBondContact O-N 3Å; Q212-V215 PolarHBondContact O-N 3.34Å; Q212-E216 PolarHBondContact O-N 3.3Å; Q212-L293 HydrophobicContact CB-CD1 4.24Å; Q212-L293 HydrophobicContact CB-CD2 4.32Å; Q212-L293 HydrophobicContact CG-CD1 4.21Å; Q212-L293 HydrophobicContact CG-CD2 4.41Å
213	D	98.1	Very high	96.9	Very high	89 Å²	89	49.4 Å²	49.4	48%	0.476	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-41.6	176.6	-60.6	-41.8	0	0	0	111	T210 E216 Q217	T210-D213 WeakPolarHBondContact CB-OD2 3.44Å; T210-D213 PolarHBondContact N-OD2 2.88Å; T210-D213 VanDerWaalsContact N-OD2 3.15Å; T210-D213 PolarHBondContact O-N 3.25Å; T210-D213 PolarHBondContact OG1-N 2.9Å; T210-D213 VanDerWaalsContact OG1-N 3.15Å; T210-D213 PolarHBondContact OG1-OD2 3.36Å; D213-E216 PolarHBondContact O-N 3.29Å; D213-Q217 WeakPolarHBondContact O-CB 3.31Å; D213-Q217 PolarHBondContact O-N 3.33Å
214	K	98.6	Very high	97	Very high	5 Å²	5	52 Å²	52	2%	0.022	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-46.8	176	-66.8	179.1	-178.5	-167.5	0	111.3	R209 T210 W211 Q212 E216 Q217 I218 W242 L243 N245	R209-K214 HydrophobicContact CB-CG 4.01Å; T210-K214 WeakPolarHBondContact O-CG 3.23Å; T210-K214 PolarHBondContact O-N 2.75Å; T210-K214 VanDerWaalsContact O-N 3.11Å; W211-K214 PolarHBondContact O-N 3.09Å; Q212-K214 VanDerWaalsContact C-N 3.3Å; Q212-K214 PolarHBondContact O-N 3Å; K214-E216 VanDerWaalsContact C-N 3.34Å; K214-E216 PolarHBondContact O-N 3.14Å; K214-Q217 WeakPolarHBondContact O-CB 3.3Å; K214-Q217 PolarHBondContact O-N 2.76Å; K214-I218 VanDerWaalsContact O-CG1 3.29Å; K214-I218 WeakPolarHBondContact O-CG1 3.39Å; K214-I218 PolarHBondContact O-N 3.42Å; K214-W242 HydrophobicContact CB-CH2 4.15Å; K214-W242 HydrophobicContact CB-CZ3 4.06Å; K214-W242 HydrophobicContact CD-CD2 4.02Å; K214-W242 HydrophobicContact CD-CE3 3.99Å; K214-W242 HydrophobicContact CD-CH2 3.85Å; K214-W242 HydrophobicContact CD-CZ2 3.86Å; K214-W242 HydrophobicContact CD-CZ3 3.91Å; K214-W242 VanDerWaalsContact CD-O 3.31Å; K214-W242 WeakPolarHBondContact CD-O 3.43Å; K214-W242 HydrophobicContact CG-CH2 3.82Å; K214-W242 HydrophobicContact CG-CZ2 4.14Å; K214-W242 HydrophobicContact CG-CZ3 4.11Å; K214-W242 PolarHBondContact NZ-O 2.95Å; K214-L243 HydrophobicContact CB-CD1 4.06Å; K214-N245 WeakPolarHBondContact CE-OD1 3.48Å; K214-N245 PolarHBondContact NZ-OD1 3.34Å
215	V	98.7	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-46	176.6	164.5	0	0	0	0	111.3	W211 Q212 I218 R219 L243 L263 I268 L293	W211-V215 HydrophobicContact CE3-CG2 3.96Å; W211-V215 HydrophobicContact CZ3-CG2 4.27Å; W211-V215 WeakPolarHBondContact O-CB 3.39Å; W211-V215 WeakPolarHBondContact O-CG2 3.38Å; W211-V215 PolarHBondContact O-N 2.85Å; Q212-V215 PolarHBondContact O-N 3.34Å; V215-I218 PolarHBondContact O-N 2.87Å; V215-R219 WeakPolarHBondContact O-CG 3.46Å; V215-R219 PolarHBondContact O-N 3.12Å; V215-L243 HydrophobicContact CG2-CD1 3.9Å; V215-L243 HydrophobicContact CG2-CD2 4.34Å; V215-L243 HydrophobicContact CG2-CG 4.04Å; V215-L263 HydrophobicContact CG1-CD1 3.9Å; V215-I268 HydrophobicContact CG1-CD1 3.96Å; V215-I268 HydrophobicContact CG2-CD1 4.17Å; V215-L293 HydrophobicContact CG1-CD2 4.06Å
216	E	98.3	Very high	97.3	Very high	81 Å²	81	48 Å²	48	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-68.3	-37.2	179.7	-172	53.8	-146.3	0	0	112	Q212 D213 K214 I218 R219 S220 R223	Q212-E216 PolarHBondContact O-N 3.3Å; D213-E216 PolarHBondContact O-N 3.29Å; K214-E216 VanDerWaalsContact C-N 3.34Å; K214-E216 PolarHBondContact O-N 3.14Å; E216-I218 VanDerWaalsContact C-N 3.35Å; E216-I218 PolarHBondContact O-N 3.08Å; E216-R219 PolarHBondContact O-N 2.85Å; E216-S220 WeakPolarHBondContact O-CB 3.4Å; E216-S220 PolarHBondContact O-N 3.32Å; E216-R223 IonicContact OE1-CZ 3.68Å; E216-R223 IonicContact OE1-NH1 2.71Å; E216-R223 PolarHBondContact OE1-NH1 2.91Å; E216-R223 IonicContact OE1-NH2 3.43Å; E216-R223 PolarHBondContact OE1-NH2 3.08Å; E216-R223 IonicContact OE2-NH2 2.87Å
217	Q	98.3	Very high	97.3	Very high	76 Å²	76	55.5 Å²	55.5	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-57.5	-47.5	171.7	-177.7	179	14	0	0	111.2	D213 K214 S220 L221	D213-Q217 WeakPolarHBondContact O-CB 3.31Å; D213-Q217 PolarHBondContact O-N 3.33Å; K214-Q217 WeakPolarHBondContact O-CB 3.3Å; K214-Q217 PolarHBondContact O-N 2.76Å; Q217-S220 WeakPolarHBondContact O-CB 3.3Å; Q217-S220 PolarHBondContact O-N 2.85Å; Q217-L221 PolarHBondContact O-N 3.03Å
218	I	98.6	Very high	97.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-39.8	179.6	-61.3	-60.2	0	0	0	111.4	K214 V215 E216 S220 L221 M222 L232 L243 L263 P346 V347	K214-I218 VanDerWaalsContact O-CG1 3.29Å; K214-I218 WeakPolarHBondContact O-CG1 3.39Å; K214-I218 PolarHBondContact O-N 3.42Å; V215-I218 PolarHBondContact O-N 2.87Å; E216-I218 VanDerWaalsContact C-N 3.35Å; E216-I218 PolarHBondContact O-N 3.08Å; I218-S220 VanDerWaalsContact C-N 3.31Å; I218-S220 PolarHBondContact O-N 2.9Å; I218-L221 HydrophobicContact CD1-CD1 4.14Å; I218-L221 WeakPolarHBondContact O-CB 3.31Å; I218-L221 PolarHBondContact O-N 3.34Å; I218-L221 VanDerWaalsContact O-N 3.13Å; I218-M222 WeakPolarHBondContact O-CG 3.27Å; I218-M222 PolarHBondContact O-N 2.93Å; I218-L232 HydrophobicContact CG2-CD2 3.45Å; I218-L232 VanDerWaalsContact CG2-CD2 3.45Å; I218-L243 HydrophobicContact CG1-CD1 4.18Å; I218-L263 HydrophobicContact CB-CD2 4.08Å; I218-L263 HydrophobicContact CG2-CD2 3.66Å; I218-P346 HydrophobicContact CD1-CB 4.23Å; I218-P346 HydrophobicContact CG2-CG 4.13Å; I218-V347 HydrophobicContact CD1-CB 4.48Å; I218-V347 HydrophobicContact CD1-CG2 3.74Å; I218-V347 HydrophobicContact CG1-CG2 3.87Å; I218-V347 HydrophobicContact CG2-CG2 4.22Å
219	R	98.6	Very high	97.6	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-38.4	172.3	-77.2	179	172.6	153.8	-2.5	112.2	V215 E216 L221 M222 R223 L263 T264 L265 E267 S292	V215-R219 WeakPolarHBondContact O-CG 3.46Å; V215-R219 PolarHBondContact O-N 3.12Å; E216-R219 PolarHBondContact O-N 2.85Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 2.74Å; R219-M222 WeakPolarHBondContact O-CB 3.45Å; R219-M222 PolarHBondContact O-N 3.43Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 2.82Å; R219-L263 HydrophobicContact CG-CD1 4.46Å; R219-T264 PolarHBondContact NE-O 3.49Å; R219-T264 PolarHBondContact NH2-O 3.35Å; R219-L265 VanDerWaalsContact CZ-O 3.29Å; R219-L265 PolarHBondContact NE-O 3.11Å; R219-L265 VanDerWaalsContact NE-O 3.08Å; R219-E267 PolarHBondContact NH2-O 3.05Å; R219-S292 VanDerWaalsContact CZ-O 3.23Å; R219-S292 PolarHBondContact NH1-O 2.91Å; R219-S292 PolarHBondContact NH2-O 3.1Å
220	S	98.4	Very high	97.7	Very high	56 Å²	56	56.1 Å²	56.1	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-44.9	172.7	-173.4	0	0	0	0	110.9	E216 Q217 I218 M222 R223 T224	E216-S220 WeakPolarHBondContact O-CB 3.4Å; E216-S220 PolarHBondContact O-N 3.32Å; Q217-S220 WeakPolarHBondContact O-CB 3.3Å; Q217-S220 PolarHBondContact O-N 2.85Å; I218-S220 VanDerWaalsContact C-N 3.31Å; I218-S220 PolarHBondContact O-N 2.9Å; S220-M222 VanDerWaalsContact C-N 3.33Å; S220-M222 PolarHBondContact O-N 3.27Å; S220-R223 PolarHBondContact O-N 3.19Å; S220-T224 WeakPolarHBondContact O-CG2 3.48Å; S220-T224 PolarHBondContact O-N 2.74Å; S220-T224 PolarHBondContact O-OG1 3.37Å; S220-T224 VanDerWaalsContact O-OG1 3.05Å
221	L	98.1	Very high	97.7	Very high	62 Å²	62	53.4 Å²	53.4	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-41.4	175.2	-66.5	174.9	0	0	0	111.9	Q217 I218 R219 T224 N225 P346	Q217-L221 PolarHBondContact O-N 3.03Å; I218-L221 HydrophobicContact CD1-CD1 4.14Å; I218-L221 WeakPolarHBondContact O-CB 3.31Å; I218-L221 PolarHBondContact O-N 3.34Å; I218-L221 VanDerWaalsContact O-N 3.13Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 2.74Å; L221-T224 PolarHBondContact O-N 2.89Å; L221-T224 PolarHBondContact O-OG1 2.99Å; L221-N225 WeakPolarHBondContact O-CB 3.47Å; L221-N225 PolarHBondContact O-N 3.45Å; L221-P346 HydrophobicContact CB-CB 4.38Å; L221-P346 HydrophobicContact CD1-CB 3.75Å
222	M	98.4	Very high	97.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-46.7	173.6	-66.7	170	64	0	0	111.9	I218 R219 S220 T224 N225 P229 L232 L263 L265 W319	I218-M222 WeakPolarHBondContact O-CG 3.27Å; I218-M222 PolarHBondContact O-N 2.93Å; R219-M222 WeakPolarHBondContact O-CB 3.45Å; R219-M222 PolarHBondContact O-N 3.43Å; S220-M222 VanDerWaalsContact C-N 3.33Å; S220-M222 PolarHBondContact O-N 3.27Å; M222-T224 PolarHBondContact O-N 3.34Å; M222-N225 WeakPolarHBondContact O-CB 3.47Å; M222-N225 PolarHBondContact O-N 3.26Å; M222-P229 HydrophobicContact CB-CG 4.09Å; M222-P229 HydrophobicContact CG-CG 4.26Å; M222-P229 WeakPolarHBondContact O-CD 3.24Å; M222-L232 HydrophobicContact CE-CB 4.35Å; M222-L232 HydrophobicContact SD-CB 3.92Å; M222-L263 HydrophobicContact SD-CD2 4.4Å; M222-L263 HydrophobicContact SD-CG 4.41Å; M222-L265 HydrophobicContact CB-CD2 4.29Å; M222-L265 HydrophobicContact CE-CD2 4.23Å; M222-W319 HydrophobicContact CG-CE3 4.17Å; M222-W319 HydrophobicContact CG-CZ3 4.32Å
223	R	97.9	Very high	97.8	Very high	118 Å²	118	50.7 Å²	50.7	45%	0.445	26%	0.257	S	S	.	.	H	α-helix	trans	-65.6	-37.6	179.7	-67.1	-177.7	-159	111.6	-2.3	112.8	E216 R219 S220 N225 L265	E216-R223 IonicContact OE1-CZ 3.68Å; E216-R223 IonicContact OE1-NH1 2.71Å; E216-R223 PolarHBondContact OE1-NH1 2.91Å; E216-R223 IonicContact OE1-NH2 3.43Å; E216-R223 PolarHBondContact OE1-NH2 3.08Å; E216-R223 IonicContact OE2-NH2 2.87Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 2.82Å; S220-R223 PolarHBondContact O-N 3.19Å; R223-N225 VanDerWaalsContact C-N 3.34Å; R223-L265 HydrophobicContact CG-CD2 3.89Å
224	T	97.3	Very high	97.8	Very high	100 Å²	100	46.5 Å²	46.5	61%	0.613	24%	0.235	S	C	*	.	H	α-helix	trans	-82.3	-11.3	179.7	59.2	0	0	0	0	113.9	S220 L221 M222	S220-T224 WeakPolarHBondContact O-CG2 3.48Å; S220-T224 PolarHBondContact O-N 2.74Å; S220-T224 PolarHBondContact O-OG1 3.37Å; S220-T224 VanDerWaalsContact O-OG1 3.05Å; L221-T224 PolarHBondContact O-N 2.89Å; L221-T224 PolarHBondContact O-OG1 2.99Å; M222-T224 PolarHBondContact O-N 3.34Å
225	N	97.2	Very high	97.7	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.139	23%	0.234	C	C	.	.	S	Bend	trans	-65.2	130.6	177.2	-175.6	-53.3	0	0	0	109.4	L221 M222 R223 Y227 Q228 P229	L221-N225 WeakPolarHBondContact O-CB 3.47Å; L221-N225 PolarHBondContact O-N 3.45Å; M222-N225 WeakPolarHBondContact O-CB 3.47Å; M222-N225 PolarHBondContact O-N 3.26Å; R223-N225 VanDerWaalsContact C-N 3.34Å; N225-Y227 PolarHBondContact O-N 3.07Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.43Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.23Å; N225-Y227 PolarHBondContact OD1-N 3.45Å; N225-Q228 PolarHBondContact O-N 3.41Å; N225-P229 HydrophobicContact CB-CG 4.36Å
226	P	96.3	Very high	97.6	Very high	114 Å²	114	46.4 Å²	46.4	74%	0.74	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.2	-178.3	-27.3	34.9	0	0	0	114.8
227	Y	94.9	Very high	97.6	Very high	161 Å²	161	42.8 Å²	42.8	63%	0.631	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.6	-178.9	-56.1	-73	0	0	0	113.6	N225 K317	N225-Y227 PolarHBondContact O-N 3.07Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.43Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.23Å; N225-Y227 PolarHBondContact OD1-N 3.45Å; Y227-K317 PolarHBondContact O-NZ 2.76Å
228	Q	95.2	Very high	97.5	Very high	135 Å²	135	40.2 Å²	40.2	63%	0.631	21%	0.207	S	C	*	.			trans	48.3	64.6	176.5	-60.4	178.3	9.2	0	0	113.1	N225	N225-Q228 PolarHBondContact O-N 3.41Å
229	P	97.6	Very high	97.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.013	21%	0.208	C	C	.	.			trans	-60	140.4	174.2	26.4	-33.6	0	0	0	111.6	M222 N225 W319 I340	M222-P229 HydrophobicContact CB-CG 4.09Å; M222-P229 HydrophobicContact CG-CG 4.26Å; M222-P229 WeakPolarHBondContact O-CD 3.24Å; N225-P229 HydrophobicContact CB-CG 4.36Å; P229-W319 HydrophobicContact CB-CB 3.72Å; P229-W319 HydrophobicContact CG-CB 4.14Å; P229-W319 HydrophobicContact CG-CD2 4.32Å; P229-W319 HydrophobicContact CG-CE3 3.77Å; P229-I340 HydrophobicContact CB-CD1 3.71Å; P229-I340 HydrophobicContact CG-CD1 4.39Å
230	T	97.4	Very high	97.4	Very high	38 Å²	38	40.4 Å²	40.4	23%	0.233	21%	0.208	C	C	.	.	S	Bend	trans	-89.2	-22.4	175.1	66.2	0	0	0	0	112	T264 Y310 D315 V316 K317	T230-T264 WeakPolarHBondContact O-CA 3.49Å; T230-T264 WeakPolarHBondContact O-CB 3.43Å; T230-Y310 PolarHBondContact OG1-OH 3.12Å; T230-D315 WeakPolarHBondContact CG2-O 3.44Å; T230-V316 WeakPolarHBondContact OG1-CA 3.36Å; T230-K317 PolarHBondContact N-O 3.18Å; T230-K317 PolarHBondContact OG1-N 3.06Å; T230-K317 PolarHBondContact OG1-O 3.02Å
231	A	98.4	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.2	175.8	0	0	0	0	0	112.1	L262 L263 T264 Y310 K317 V318 W319	A231-L262 HydrophobicContact CB-CD1 3.92Å; A231-L262 HydrophobicContact CB-CG 4.41Å; A231-L263 CarbonylContact C-O 3.47Å; A231-L263 VanDerWaalsContact CA-O 3.27Å; A231-L263 WeakPolarHBondContact CA-O 3.12Å; A231-T264 HydrophobicContact CB-CG2 4.16Å; A231-Y310 HydrophobicContact CB-CE1 3.67Å; A231-K317 PolarHBondContact N-O 3.41Å; A231-V318 HydrophobicContact CB-CG2 4.48Å; A231-W319 PolarHBondContact O-N 3.21Å
232	L	98.8	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.1	166.8	173.5	66.6	0	0	0	108.1	I218 M222 L234 L263 W319 P346 V347	I218-L232 HydrophobicContact CG2-CD2 3.45Å; I218-L232 VanDerWaalsContact CG2-CD2 3.45Å; M222-L232 HydrophobicContact CE-CB 4.35Å; M222-L232 HydrophobicContact SD-CB 3.92Å; L232-L234 HydrophobicContact CD1-CD2 4.12Å; L232-L234 HydrophobicContact CD2-CD2 3.79Å; L232-L234 HydrophobicContact CD2-CG 4.43Å; L232-L234 HydrophobicContact CG-CD2 3.75Å; L232-L234 HydrophobicContact CG-CG 4.3Å; L232-L263 HydrophobicContact CB-CB 4.44Å; L232-L263 PolarHBondContact N-O 2.79Å; L232-L263 PolarHBondContact O-N 3.25Å; L232-W319 HydrophobicContact CD1-CB 4.13Å; L232-W319 HydrophobicContact CD1-CD2 4.18Å; L232-W319 HydrophobicContact CD1-CE3 4.27Å; L232-W319 HydrophobicContact CD1-CG 4.14Å; L232-P346 HydrophobicContact CD1-CG 4.01Å; L232-P346 HydrophobicContact CD2-CG 3.53Å; L232-P346 HydrophobicContact CG-CG 4.43Å; L232-V347 HydrophobicContact CD2-CG2 4.09Å
233	L	98.8	Very high	97.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.8	175	174.2	71.8	0	0	0	109.5	T261 L262 L307 V318 W319 I320 T325 L329 I333	L233-T261 WeakPolarHBondContact CA-O 3.37Å; L233-L262 HydrophobicContact CB-CD1 4.01Å; L233-L262 HydrophobicContact CD1-CD1 4.13Å; L233-L307 HydrophobicContact CD2-CD2 3.95Å; L233-V318 HydrophobicContact CB-CG1 3.88Å; L233-W319 PolarHBondContact N-O 3.31Å; L233-I320 HydrophobicContact CB-CG2 4.07Å; L233-I320 HydrophobicContact CD2-CG2 4.21Å; L233-T325 HydrophobicContact CD2-CG2 4.46Å; L233-L329 HydrophobicContact CD1-CD1 4.27Å; L233-L329 HydrophobicContact CD2-CB 3.84Å; L233-L329 HydrophobicContact CD2-CD1 4.08Å; L233-I333 HydrophobicContact CD2-CD1 4.49Å
234	L	98.6	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.1	178.2	-52.6	177.5	0	0	0	109.3	L232 E239 L243 T261 V347	L232-L234 HydrophobicContact CD1-CD2 4.12Å; L232-L234 HydrophobicContact CD2-CD2 3.79Å; L232-L234 HydrophobicContact CD2-CG 4.43Å; L232-L234 HydrophobicContact CG-CD2 3.75Å; L232-L234 HydrophobicContact CG-CG 4.3Å; L234-E239 HydrophobicContact CB-CB 4.21Å; L234-E239 HydrophobicContact CD1-CB 4.16Å; L234-E239 HydrophobicContact CD2-CB 4.36Å; L234-E239 HydrophobicContact CG-CB 4.48Å; L234-L243 HydrophobicContact CD1-CD2 3.97Å; L234-T261 HydrophobicContact CD1-CG2 4.33Å; L234-T261 PolarHBondContact N-O 3.45Å; L234-T261 PolarHBondContact O-N 3.23Å; L234-T261 VanDerWaalsContact O-N 3.12Å; L234-V347 HydrophobicContact CD1-CB 4.47Å; L234-V347 HydrophobicContact CD1-CG2 3.85Å; L234-V347 HydrophobicContact CD2-CB 4.22Å; L234-V347 HydrophobicContact CD2-CG2 3.96Å
235	S	97	Very high	97.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.			trans	-120.5	-24	-178.9	-61.6	0	0	0	0	113.2	H73 E239 Y324	H73-S235 WeakPolarHBondContact CB-O 3.5Å; H73-S235 PolarHBondContact ND1-O 2.91Å; S235-E239 PolarHBondContact N-OE2 3.06Å; S235-Y324 WeakPolarHBondContact CB-O 3.31Å
236	A	96.8	Very high	97.5	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.033	12%	0.119	C	C	.	.	S	Bend	trans	-77.9	141.1	175	0	0	0	0	0	110.6	D238 E239 Y324	A236-D238 VanDerWaalsContact C-N 3.27Å; A236-D238 WeakPolarHBondContact CB-OD1 3.29Å; A236-D238 PolarHBondContact O-N 3.44Å; A236-E239 HydrophobicContact CB-CG 4Å; A236-E239 PolarHBondContact N-OE2 3.29Å; A236-E239 VanDerWaalsContact N-OE2 3.16Å; A236-E239 WeakPolarHBondContact O-CB 3.2Å; A236-E239 PolarHBondContact O-N 3.15Å; A236-Y324 HydrophobicContact CB-CG 4.49Å
237	L	97.6	Very high	97.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-66.2	-34.8	-174.5	-57.5	-174.2	0	0	0	112.4	H73 E239 T240 A241 I251 F256 F257 Y258	H73-L237 HydrophobicContact CB-CD1 4.35Å; H73-L237 HydrophobicContact CB-CD2 3.8Å; H73-L237 HydrophobicContact CB-CG 3.66Å; H73-L237 VanDerWaalsContact CD2-CD2 3.46Å; H73-L237 WeakPolarHBondContact CD2-CD2 3.5Å; H73-L237 VanDerWaalsContact CE1-CD2 3.49Å; H73-L237 WeakPolarHBondContact CE1-CD2 3.41Å; H73-L237 VanDerWaalsContact ND1-CD2 3.29Å; H73-L237 WeakPolarHBondContact ND1-CD2 3.44Å; L237-E239 VanDerWaalsContact C-N 3.35Å; L237-T240 PolarHBondContact O-N 2.76Å; L237-A241 VanDerWaalsContact O-CB 3.3Å; L237-A241 WeakPolarHBondContact O-CB 3.34Å; L237-A241 PolarHBondContact O-N 3.18Å; L237-I251 HydrophobicContact CD1-CD1 4.4Å; L237-I251 HydrophobicContact CD1-CG1 4.04Å; L237-F256 HydrophobicContact CB-CB 3.81Å; L237-F256 HydrophobicContact CB-CD2 4.34Å; L237-F256 HydrophobicContact CB-CG 4.1Å; L237-F256 HydrophobicContact CD1-CB 4.03Å; L237-F257 WeakPolarHBondContact CD2-O 3.12Å; L237-Y258 HydrophobicContact CD1-CD1 4.36Å
238	D	96.3	Very high	97.6	Very high	23 Å²	23	11.4 Å²	11.4	12%	0.123	6%	0.059	C	C	.	.	H	α-helix	trans	-68.8	-33.4	-179.2	75.3	-34.8	0	0	0	111.1	A236 W242 F256 K351 F527	A236-D238 VanDerWaalsContact C-N 3.27Å; A236-D238 WeakPolarHBondContact CB-OD1 3.29Å; A236-D238 PolarHBondContact O-N 3.44Å; D238-W242 VanDerWaalsContact O-CB 3.28Å; D238-W242 WeakPolarHBondContact O-CB 3.4Å; D238-W242 PolarHBondContact O-N 3.16Å; D238-F256 HydrophobicContact CB-CD1 4.26Å; D238-F256 HydrophobicContact CB-CE1 3.56Å; D238-F256 HydrophobicContact CB-CE2 4.13Å; D238-F256 HydrophobicContact CB-CZ 3.49Å; D238-F256 VanDerWaalsContact CB-CZ 3.49Å; D238-K351 WeakPolarHBondContact OD2-CE 3.4Å; D238-K351 IonicContact OD2-NZ 3.8Å; D238-K351 PolarHBondContact OD2-NZ 3.38Å; D238-F527 HydrophobicContact CB-CD1 3.95Å; D238-F527 HydrophobicContact CB-CE1 3.42Å; D238-F527 VanDerWaalsContact CB-CE1 3.42Å; D238-F527 HydrophobicContact CB-CZ 4.13Å; D238-F527 WeakPolarHBondContact O-CE1 3.49Å; D238-F527 WeakPolarHBondContact O-CZ 3.48Å
239	E	97.6	Very high	97.5	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.019	5%	0.048	C	C	.	.	H	α-helix	trans	-61	-51	172.6	-62.2	178.2	120.7	0	0	111.8	L234 S235 A236 L237 W242 L243 S345 V347 L348	L234-E239 HydrophobicContact CB-CB 4.21Å; L234-E239 HydrophobicContact CD1-CB 4.16Å; L234-E239 HydrophobicContact CD2-CB 4.36Å; L234-E239 HydrophobicContact CG-CB 4.48Å; S235-E239 PolarHBondContact N-OE2 3.06Å; A236-E239 HydrophobicContact CB-CG 4Å; A236-E239 PolarHBondContact N-OE2 3.29Å; A236-E239 VanDerWaalsContact N-OE2 3.16Å; A236-E239 WeakPolarHBondContact O-CB 3.2Å; A236-E239 PolarHBondContact O-N 3.15Å; L237-E239 VanDerWaalsContact C-N 3.35Å; E239-W242 PolarHBondContact O-N 3.14Å; E239-L243 WeakPolarHBondContact O-CB 3.38Å; E239-L243 PolarHBondContact O-N 3.31Å; E239-S345 WeakPolarHBondContact OE1-CB 3.19Å; E239-S345 PolarHBondContact OE1-OG 3.32Å; E239-V347 HydrophobicContact CB-CB 4.31Å; E239-V347 HydrophobicContact CB-CG1 3.76Å; E239-V347 HydrophobicContact CG-CB 4.4Å; E239-V347 HydrophobicContact CG-CG1 4.13Å; E239-L348 HydrophobicContact CG-CD1 4.39Å; E239-L348 HydrophobicContact CG-CD2 3.9Å; E239-L348 HydrophobicContact CG-CG 3.66Å; E239-L348 WeakPolarHBondContact OE1-CG 3.42Å
240	T	97.9	Very high	97.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.7	-44.5	-178.3	-64.6	0	0	0	0	111	L237 W242 L243 F244 F257 S259 T261 L270	L237-T240 PolarHBondContact O-N 2.76Å; T240-W242 VanDerWaalsContact C-N 3.3Å; T240-W242 PolarHBondContact O-N 3.49Å; T240-L243 PolarHBondContact O-N 3.08Å; T240-F244 HydrophobicContact CG2-CD2 3.87Å; T240-F244 HydrophobicContact CG2-CE2 4Å; T240-F244 VanDerWaalsContact O-CD2 3.29Å; T240-F244 WeakPolarHBondContact O-CD2 3.26Å; T240-F244 PolarHBondContact O-N 3.46Å; T240-F257 HydrophobicContact CG2-CE2 4.09Å; T240-F257 HydrophobicContact CG2-CZ 4.14Å; T240-S259 WeakPolarHBondContact CB-OG 3.4Å; T240-S259 VanDerWaalsContact CG2-OG 3.25Å; T240-S259 WeakPolarHBondContact CG2-OG 3.37Å; T240-T261 VanDerWaalsContact CG2-OG1 3.26Å; T240-T261 WeakPolarHBondContact CG2-OG1 3.49Å; T240-T261 PolarHBondContact OG1-OG1 3.18Å; T240-L270 HydrophobicContact CG2-CD1 3.53Å
241	A	97.9	Very high	97.3	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.8	-37.7	177.1	0	0	0	0	0	112.4	L237 N245 L246 R247 F256 F257 F527	L237-A241 VanDerWaalsContact O-CB 3.3Å; L237-A241 WeakPolarHBondContact O-CB 3.34Å; L237-A241 PolarHBondContact O-N 3.18Å; A241-N245 PolarHBondContact O-N 2.82Å; A241-L246 WeakPolarHBondContact CB-O 3.41Å; A241-L246 PolarHBondContact O-N 3.01Å; A241-L246 VanDerWaalsContact O-O 3.13Å; A241-R247 PolarHBondContact O-NH1 3.26Å; A241-F256 HydrophobicContact CB-CD1 4.38Å; A241-F257 HydrophobicContact CB-CD1 4.46Å; A241-F257 HydrophobicContact CB-CE1 3.77Å; A241-F257 HydrophobicContact CB-CZ 4.39Å; A241-F527 HydrophobicContact CB-CE2 3.77Å; A241-F527 HydrophobicContact CB-CZ 3.64Å
242	W	98.1	Very high	97	Very high	7 Å²	7	9.3 Å²	9.3	3%	0.027	5%	0.054	C	C	.	.	H	α-helix	trans	-73.1	-44.3	179.2	178.1	88.8	0	0	0	111.4	K214 D238 E239 T240 F244 N245 V347 T350 K351 F527	K214-W242 HydrophobicContact CB-CH2 4.15Å; K214-W242 HydrophobicContact CB-CZ3 4.06Å; K214-W242 HydrophobicContact CD-CD2 4.02Å; K214-W242 HydrophobicContact CD-CE3 3.99Å; K214-W242 HydrophobicContact CD-CH2 3.85Å; K214-W242 HydrophobicContact CD-CZ2 3.86Å; K214-W242 HydrophobicContact CD-CZ3 3.91Å; K214-W242 VanDerWaalsContact CD-O 3.31Å; K214-W242 WeakPolarHBondContact CD-O 3.43Å; K214-W242 HydrophobicContact CG-CH2 3.82Å; K214-W242 HydrophobicContact CG-CZ2 4.14Å; K214-W242 HydrophobicContact CG-CZ3 4.11Å; K214-W242 PolarHBondContact NZ-O 2.95Å; D238-W242 VanDerWaalsContact O-CB 3.28Å; D238-W242 WeakPolarHBondContact O-CB 3.4Å; D238-W242 PolarHBondContact O-N 3.16Å; E239-W242 PolarHBondContact O-N 3.14Å; T240-W242 VanDerWaalsContact C-N 3.3Å; T240-W242 PolarHBondContact O-N 3.49Å; W242-F244 VanDerWaalsContact C-N 3.25Å; W242-F244 PolarHBondContact O-N 3.21Å; W242-N245 PolarHBondContact O-N 3.37Å; W242-V347 HydrophobicContact CE3-CG1 3.69Å; W242-V347 HydrophobicContact CZ3-CG1 4.1Å; W242-T350 HydrophobicContact CH2-CG2 3.7Å; W242-T350 HydrophobicContact CZ2-CG2 4.17Å; W242-K351 HydrophobicContact CB-CB 4.48Å; W242-K351 HydrophobicContact CB-CD 4.03Å; W242-K351 HydrophobicContact CD2-CB 3.61Å; W242-K351 VanDerWaalsContact CE2-CB 3.49Å; W242-K351 HydrophobicContact CE3-CB 4.32Å; W242-K351 HydrophobicContact CG-CB 3.66Å; W242-K351 HydrophobicContact CG-CD 4.09Å; W242-K351 HydrophobicContact CZ2-CB 4.11Å; W242-F527 HydrophobicContact CB-CE1 4Å; W242-F527 HydrophobicContact CB-CZ 3.69Å
243	L	98.5	Very high	96.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.3	-40	-177.6	-173.4	64.7	0	0	0	111.3	W211 K214 V215 I218 L234 E239 T240 T261	W211-L243 WeakPolarHBondContact CA-O 3.14Å; W211-L243 VanDerWaalsContact CB-O 3.26Å; W211-L243 WeakPolarHBondContact CB-O 3.27Å; K214-L243 HydrophobicContact CB-CD1 4.06Å; V215-L243 HydrophobicContact CG2-CD1 3.9Å; V215-L243 HydrophobicContact CG2-CD2 4.34Å; V215-L243 HydrophobicContact CG2-CG 4.04Å; I218-L243 HydrophobicContact CG1-CD1 4.18Å; L234-L243 HydrophobicContact CD1-CD2 3.97Å; E239-L243 WeakPolarHBondContact O-CB 3.38Å; E239-L243 PolarHBondContact O-N 3.31Å; T240-L243 PolarHBondContact O-N 3.08Å; L243-T261 HydrophobicContact CD2-CG2 4.23Å
244	F	98.4	Very high	96.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-97.1	-1.4	-177	-61.8	-64.1	0	0	0	115.3	W211 T240 W242 L246 T261 I268 L270 Y284 L285 V295	W211-F244 HydrophobicContact CD2-CD1 4.43Å; W211-F244 HydrophobicContact CE3-CD1 4.11Å; W211-F244 HydrophobicContact CE3-CE1 4.25Å; T240-F244 HydrophobicContact CG2-CD2 3.87Å; T240-F244 HydrophobicContact CG2-CE2 4Å; T240-F244 VanDerWaalsContact O-CD2 3.29Å; T240-F244 WeakPolarHBondContact O-CD2 3.26Å; T240-F244 PolarHBondContact O-N 3.46Å; W242-F244 VanDerWaalsContact C-N 3.25Å; W242-F244 PolarHBondContact O-N 3.21Å; F244-L246 HydrophobicContact CB-CB 4.42Å; F244-L246 HydrophobicContact CB-CD1 3.96Å; F244-L246 HydrophobicContact CB-CG 3.81Å; F244-L246 PolarHBondContact O-N 3.04Å; F244-T261 HydrophobicContact CE2-CG2 4.06Å; F244-T261 HydrophobicContact CZ-CG2 4.09Å; F244-I268 HydrophobicContact CE1-CG2 3.9Å; F244-I268 HydrophobicContact CZ-CG2 3.58Å; F244-L270 HydrophobicContact CD2-CD1 4.41Å; F244-L270 HydrophobicContact CD2-CD2 4.39Å; F244-L270 HydrophobicContact CE2-CD1 4.06Å; F244-L270 HydrophobicContact CE2-CD2 4.39Å; F244-Y284 WeakPolarHBondContact O-CE1 2.97Å; F244-Y284 PolarHBondContact O-OH 3.15Å; F244-L285 HydrophobicContact CB-CD2 4.22Å; F244-L285 HydrophobicContact CD1-CD2 3.95Å; F244-L285 HydrophobicContact CG-CD2 4.28Å; F244-V295 HydrophobicContact CD1-CG2 4.38Å; F244-V295 HydrophobicContact CE1-CG2 3.82Å
245	N	97.9	Very high	96.5	Very high	2 Å²	2	14 Å²	14	1%	0.011	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	39.6	-168.9	-63.6	-41	0	0	0	112.5	R201 L202 R209 W211 K214 A241 W242	R201-N245 WeakPolarHBondContact CA-O 3.13Å; L202-N245 HydrophobicContact CB-CB 4.39Å; L202-N245 HydrophobicContact CD1-CB 4.32Å; L202-N245 PolarHBondContact N-O 3.28Å; R209-N245 PolarHBondContact O-ND2 3.01Å; W211-N245 PolarHBondContact N-ND2 3.48Å; K214-N245 WeakPolarHBondContact CE-OD1 3.48Å; K214-N245 PolarHBondContact NZ-OD1 3.34Å; A241-N245 PolarHBondContact O-N 2.82Å; W242-N245 PolarHBondContact O-N 3.37Å
246	L	97.9	Very high	96.5	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	157.3	177.2	-64.4	-177.2	0	0	0	110.6	T200 R201 A241 F244 F257 L281 Y284 L285	T200-L246 CarbonylContact O-C 3.47Å; T200-L246 VanDerWaalsContact O-CA 3.29Å; T200-L246 WeakPolarHBondContact O-CA 3.47Å; R201-L246 HydrophobicContact CB-CD2 3.94Å; A241-L246 WeakPolarHBondContact CB-O 3.41Å; A241-L246 PolarHBondContact O-N 3.01Å; A241-L246 VanDerWaalsContact O-O 3.13Å; F244-L246 HydrophobicContact CB-CB 4.42Å; F244-L246 HydrophobicContact CB-CD1 3.96Å; F244-L246 HydrophobicContact CB-CG 3.81Å; F244-L246 PolarHBondContact O-N 3.04Å; L246-F257 HydrophobicContact CB-CE1 3.59Å; L246-F257 HydrophobicContact CB-CZ 3.78Å; L246-F257 HydrophobicContact CD1-CZ 4.22Å; L246-L281 HydrophobicContact CD2-CD2 3.83Å; L246-Y284 HydrophobicContact CD2-CD1 4.14Å; L246-Y284 HydrophobicContact CD2-CE1 3.84Å; L246-L285 HydrophobicContact CD1-CD1 4.17Å; L246-L285 HydrophobicContact CD1-CD2 4.25Å
247	R	97	Very high	96.5	Very high	9 Å²	9	14.8 Å²	14.8	3%	0.034	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.7	176.2	-63.6	-63.3	-175.2	-85.6	3.4	110.5	T200 L202 A241 P255 N525 Y526	T200-R247 PolarHBondContact N-O 3.48Å; T200-R247 PolarHBondContact O-N 2.83Å; T200-R247 PolarHBondContact OG1-O 3.13Å; L202-R247 HydrophobicContact CD2-CG 3.67Å; L202-R247 HydrophobicContact CG-CG 4.31Å; A241-R247 PolarHBondContact O-NH1 3.26Å; R247-P255 WeakPolarHBondContact CA-O 3.29Å; R247-P255 HydrophobicContact CB-CB 4.36Å; R247-P255 VanDerWaalsContact CD-O 3.28Å; R247-P255 WeakPolarHBondContact CD-O 3.26Å; R247-P255 HydrophobicContact CG-CB 4.49Å; R247-N525 PolarHBondContact NH2-O 3.38Å; R247-N525 VanDerWaalsContact NH2-O 3.12Å; R247-Y526 HydrophobicContact CB-CE1 4.36Å; R247-Y526 HydrophobicContact CG-CD1 4.05Å; R247-Y526 HydrophobicContact CG-CE1 3.76Å; R247-Y526 PolarHBondContact NE-O 3.45Å
248	G	95.4	Very high	96.5	Very high	9 Å²	9	14.6 Å²	14.6	9%	0.093	8%	0.076	C	C	.	.			trans	-136	-164.4	174.2	0	0	0	0	0	111.2	P255 F256	G248-P255 PolarHBondContact N-O 3.42Å; G248-P255 CarbonylContact O-C 3.53Å; G248-P255 WeakPolarHBondContact O-CA 3.48Å; G248-F256 CarbonylContact C-O 3.56Å; G248-F256 WeakPolarHBondContact CA-O 3.36Å
249	N	94.1	Very high	96.6	Very high	73 Å²	73	13.5 Å²	13.5	39%	0.39	7%	0.07	S	C	.	.			trans	-144.9	29	-179	66.1	-25.1	0	0	0	111.5	D197 I251 F256 R276	D197-N249 PolarHBondContact OD2-ND2 3.07Å; N249-I251 VanDerWaalsContact C-N 3.31Å; N249-F256 PolarHBondContact N-O 2.85Å; N249-R276 PolarHBondContact OD1-NH2 3.48Å
250	D	95.1	Very high	96.6	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.011	7%	0.069	C	C	.	.	S	Bend	trans	-73.7	-31.6	-173.4	-68	8.8	0	0	0	111.6	A79 F256 F257 Y258 R276	A79-D250 VanDerWaalsContact CB-O 3.32Å; A79-D250 WeakPolarHBondContact CB-O 3.27Å; D250-F256 PolarHBondContact N-O 3.04Å; D250-F257 VanDerWaalsContact OD2-CA 3.26Å; D250-F257 WeakPolarHBondContact OD2-CA 3.45Å; D250-Y258 HydrophobicContact CB-CD2 3.87Å; D250-Y258 HydrophobicContact CB-CE2 3.84Å; D250-Y258 WeakPolarHBondContact OD2-CD2 3.48Å; D250-Y258 PolarHBondContact OD2-N 3.01Å; D250-R276 IonicContact OD1-CZ 3.53Å; D250-R276 IonicContact OD1-NH1 2.71Å; D250-R276 PolarHBondContact OD1-NH1 2.82Å; D250-R276 IonicContact OD1-NH2 3.91Å; D250-R276 PolarHBondContact OD1-NH2 3.12Å; D250-R276 IonicContact OD2-CZ 3.74Å; D250-R276 IonicContact OD2-NH1 3.39Å; D250-R276 PolarHBondContact OD2-NH1 3.05Å
251	I	94.8	Very high	96.7	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.021	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-108.9	127.2	-179.5	-52.7	-56.8	0	0	0	107.9	Y77 A79 L237 N249 Y253 N254 F256 Y258	Y77-I251 WeakPolarHBondContact O-CG2 3.3Å; A79-I251 HydrophobicContact CB-CD1 4.08Å; L237-I251 HydrophobicContact CD1-CD1 4.4Å; L237-I251 HydrophobicContact CD1-CG1 4.04Å; N249-I251 VanDerWaalsContact C-N 3.31Å; I251-Y253 PolarHBondContact O-N 3.44Å; I251-N254 HydrophobicContact CB-CB 3.99Å; I251-N254 HydrophobicContact CG2-CB 3.85Å; I251-N254 PolarHBondContact O-N 3.25Å; I251-F256 HydrophobicContact CG1-CB 4.47Å; I251-Y258 HydrophobicContact CD1-CE1 4.36Å
252	P	93.4	Very high	96.7	Very high	53 Å²	53	13.4 Å²	13.4	34%	0.344	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	136.6	173	-27.7	35.6	0	0	0	111.6	N254	P252-N254 PolarHBondContact O-N 3.49Å; P252-N254 PolarHBondContact O-ND2 3.19Å
253	Y	94.7	Very high	96.7	Very high	81 Å²	81	13.1 Å²	13.1	32%	0.318	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	-12.5	179.1	-38.8	-63.3	0	0	0	116.8	Y77 I251 P411 S412 E414 Q451	Y77-Y253 HydrophobicContact CD1-CD2 4.46Å; I251-Y253 PolarHBondContact O-N 3.44Å; Y253-P411 HydrophobicContact CD1-CG 3.89Å; Y253-P411 HydrophobicContact CE1-CG 3.84Å; Y253-S412 VanDerWaalsContact CB-C 3.48Å; Y253-S412 VanDerWaalsContact CB-O 3.23Å; Y253-S412 WeakPolarHBondContact CB-O 3.09Å; Y253-E414 HydrophobicContact CE2-CB 4.18Å; Y253-Q451 PolarHBondContact O-NE2 2.89Å
254	N	95.4	Very high	96.7	Very high	11 Å²	11	13.5 Å²	13.5	6%	0.059	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-115.4	116.8	-175	-68.1	-88.6	0	0	0	108.9	Y77 I251 P252 F256 G528	Y77-N254 VanDerWaalsContact CB-ND2 3.31Å; Y77-N254 WeakPolarHBondContact CB-ND2 3.47Å; Y77-N254 WeakPolarHBondContact CD2-ND2 3.49Å; I251-N254 HydrophobicContact CB-CB 3.99Å; I251-N254 HydrophobicContact CG2-CB 3.85Å; I251-N254 PolarHBondContact O-N 3.25Å; P252-N254 PolarHBondContact O-N 3.49Å; P252-N254 PolarHBondContact O-ND2 3.19Å; N254-F256 HydrophobicContact CB-CD2 3.62Å; N254-F256 HydrophobicContact CB-CE2 3.72Å; N254-F256 HydrophobicContact CB-CG 4.29Å; N254-F256 HydrophobicContact CB-CZ 4.48Å; N254-F256 PolarHBondContact O-N 2.77Å; N254-G528 VanDerWaalsContact OD1-CA 3.29Å; N254-G528 WeakPolarHBondContact OD1-CA 3.11Å
255	P	95.5	Very high	96.6	Very high	8 Å²	8	15.9 Å²	15.9	5%	0.052	8%	0.083	C	C	.	.			trans	-80.3	52.3	-170.2	34.3	-37.5	0	0	0	112.8	R247 G248 Y526	R247-P255 WeakPolarHBondContact CA-O 3.29Å; R247-P255 HydrophobicContact CB-CB 4.36Å; R247-P255 VanDerWaalsContact CD-O 3.28Å; R247-P255 WeakPolarHBondContact CD-O 3.26Å; R247-P255 HydrophobicContact CG-CB 4.49Å; G248-P255 PolarHBondContact N-O 3.42Å; G248-P255 CarbonylContact O-C 3.53Å; G248-P255 WeakPolarHBondContact O-CA 3.48Å; P255-Y526 HydrophobicContact CB-CD2 4.29Å; P255-Y526 HydrophobicContact CB-CE2 3.73Å; P255-Y526 HydrophobicContact CG-CD2 3.86Å; P255-Y526 HydrophobicContact CG-CE2 3.81Å; P255-Y526 HydrophobicContact CG-CG 4.42Å; P255-Y526 WeakPolarHBondContact CG-O 3.27Å
256	F	95.3	Very high	96.5	Very high	19 Å²	19	21.2 Å²	21.2	8%	0.083	11%	0.112	C	C	.	.			trans	-105.5	165.6	-175.5	-58.5	-30.6	0	0	0	112.1	L237 D238 A241 G248 N249 D250 I251 N254 F527 G528	L237-F256 HydrophobicContact CB-CB 3.81Å; L237-F256 HydrophobicContact CB-CD2 4.34Å; L237-F256 HydrophobicContact CB-CG 4.1Å; L237-F256 HydrophobicContact CD1-CB 4.03Å; D238-F256 HydrophobicContact CB-CD1 4.26Å; D238-F256 HydrophobicContact CB-CE1 3.56Å; D238-F256 HydrophobicContact CB-CE2 4.13Å; D238-F256 HydrophobicContact CB-CZ 3.49Å; D238-F256 VanDerWaalsContact CB-CZ 3.49Å; A241-F256 HydrophobicContact CB-CD1 4.38Å; G248-F256 CarbonylContact C-O 3.56Å; G248-F256 WeakPolarHBondContact CA-O 3.36Å; N249-F256 PolarHBondContact N-O 2.85Å; D250-F256 PolarHBondContact N-O 3.04Å; I251-F256 HydrophobicContact CG1-CB 4.47Å; N254-F256 HydrophobicContact CB-CD2 3.62Å; N254-F256 HydrophobicContact CB-CE2 3.72Å; N254-F256 HydrophobicContact CB-CG 4.29Å; N254-F256 HydrophobicContact CB-CZ 4.48Å; N254-F256 PolarHBondContact O-N 2.77Å; F256-F527 HydrophobicContact CD1-CE2 4.41Å; F256-F527 HydrophobicContact CE1-CB 4.46Å; F256-F527 AromaticContact CE1-CD1 3.77Å; F256-F527 HydrophobicContact CE1-CD1 3.77Å; F256-F527 AromaticContact CE1-CD2 3.9Å; F256-F527 HydrophobicContact CE1-CD2 3.9Å; F256-F527 AromaticContact CE1-CE1 3.89Å; F256-F527 HydrophobicContact CE1-CE1 3.89Å; F256-F527 AromaticContact CE1-CE2 3.96Å; F256-F527 HydrophobicContact CE1-CE2 3.96Å; F256-F527 AromaticContact CE1-CG 3.78Å; F256-F527 HydrophobicContact CE1-CG 3.78Å; F256-F527 AromaticContact CE1-CZ 3.96Å; F256-F527 HydrophobicContact CE1-CZ 3.96Å; F256-F527 HydrophobicContact CZ-CD1 4.19Å; F256-F527 HydrophobicContact CZ-CG 4.38Å; F256-G528 VanDerWaalsContact CZ-N 3.33Å
257	F	97.3	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.			trans	-141.6	139.1	176.5	55.3	-84.8	0	0	0	111.2	L199 L237 T240 A241 L246 D250 S259 V272	L199-F257 HydrophobicContact CD1-CD1 4.45Å; L199-F257 HydrophobicContact CD1-CD2 3.78Å; L199-F257 HydrophobicContact CD1-CE2 4.03Å; L199-F257 HydrophobicContact CD1-CG 4.02Å; L199-F257 HydrophobicContact CD1-CZ 4.47Å; L199-F257 HydrophobicContact CD2-CB 3.43Å; L199-F257 VanDerWaalsContact CD2-CB 3.43Å; L199-F257 HydrophobicContact CD2-CD1 4.1Å; L199-F257 HydrophobicContact CD2-CD2 4.17Å; L199-F257 HydrophobicContact CD2-CG 3.64Å; L199-F257 HydrophobicContact CG-CG 4.48Å; L237-F257 WeakPolarHBondContact CD2-O 3.12Å; T240-F257 HydrophobicContact CG2-CE2 4.09Å; T240-F257 HydrophobicContact CG2-CZ 4.14Å; A241-F257 HydrophobicContact CB-CD1 4.46Å; A241-F257 HydrophobicContact CB-CE1 3.77Å; A241-F257 HydrophobicContact CB-CZ 4.39Å; L246-F257 HydrophobicContact CB-CE1 3.59Å; L246-F257 HydrophobicContact CB-CZ 3.78Å; L246-F257 HydrophobicContact CD1-CZ 4.22Å; D250-F257 VanDerWaalsContact OD2-CA 3.26Å; D250-F257 WeakPolarHBondContact OD2-CA 3.45Å; F257-S259 WeakPolarHBondContact CE2-OG 3.05Å; F257-S259 PolarHBondContact O-N 2.84Å; F257-S259 VanDerWaalsContact O-N 3.08Å; F257-S259 PolarHBondContact O-OG 3.34Å; F257-V272 HydrophobicContact CD2-CG2 4.18Å
258	Y	97.8	Very high	96.5	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.126	C	C	.	.	S	Bend	trans	-55.5	114.6	-179.8	-68.8	-65.6	0	0	0	111.4	H73 A79 D82 L237 D250 I251	H73-Y258 AromaticContact CD2-CD1 3.6Å; H73-Y258 AromaticContact NE2-CD1 3.63Å; A79-Y258 WeakPolarHBondContact CB-OH 3.44Å; D82-Y258 PolarHBondContact OD2-OH 3.19Å; L237-Y258 HydrophobicContact CD1-CD1 4.36Å; D250-Y258 HydrophobicContact CB-CD2 3.87Å; D250-Y258 HydrophobicContact CB-CE2 3.84Å; D250-Y258 WeakPolarHBondContact OD2-CD2 3.48Å; D250-Y258 PolarHBondContact OD2-N 3.01Å; I251-Y258 HydrophobicContact CD1-CE1 4.36Å
259	S	98.1	Very high	96.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	155.1	-176.1	54.6	0	0	0	0	113.6	H73 T240 F257 F271	H73-S259 PolarHBondContact CE1-O 3.26Å; H73-S259 PolarHBondContact ND1-O 2.66Å; T240-S259 WeakPolarHBondContact CB-OG 3.4Å; T240-S259 VanDerWaalsContact CG2-OG 3.25Å; T240-S259 WeakPolarHBondContact CG2-OG 3.37Å; F257-S259 WeakPolarHBondContact CE2-OG 3.05Å; F257-S259 PolarHBondContact O-N 2.84Å; F257-S259 VanDerWaalsContact O-N 3.08Å; F257-S259 PolarHBondContact O-OG 3.34Å; S259-F271 CarbonylContact C-O 3.59Å; S259-F271 WeakPolarHBondContact CA-O 3.31Å; S259-F271 WeakPolarHBondContact CB-O 3.23Å
260	Y	98.8	Very high	96.9	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.6	165.6	-61.1	-84.7	0	0	0	109	A72 H73 F271 Y300 V303 N326 L329	A72-Y260 PolarHBondContact O-OH 3.28Å; H73-Y260 AromaticContact CE1-CD2 3.93Å; H73-Y260 AromaticContact CE1-CE1 3.49Å; H73-Y260 VanDerWaalsContact CE1-CE1 3.49Å; H73-Y260 WeakPolarHBondContact CE1-CE1 3.31Å; H73-Y260 AromaticContact CE1-CE2 3.45Å; H73-Y260 VanDerWaalsContact CE1-CE2 3.45Å; H73-Y260 WeakPolarHBondContact CE1-CE2 3.38Å; H73-Y260 AromaticContact CE1-CZ 3.19Å; H73-Y260 PolarHBondContact CE1-OH 3.34Å; H73-Y260 AromaticContact ND1-CE1 3.57Å; H73-Y260 AromaticContact ND1-CZ 3.67Å; H73-Y260 AromaticContact NE2-CZ 3.9Å; Y260-F271 PolarHBondContact N-O 2.95Å; Y260-F271 PolarHBondContact O-N 3.37Å; Y260-Y300 HydrophobicContact CD2-CD2 4.19Å; Y260-Y300 AromaticContact CD2-CE2 3.8Å; Y260-Y300 HydrophobicContact CD2-CE2 3.8Å; Y260-Y300 HydrophobicContact CE2-CD2 4.26Å; Y260-Y300 AromaticContact CE2-CE2 3.48Å; Y260-Y300 HydrophobicContact CE2-CE2 3.48Å; Y260-Y300 VanDerWaalsContact CE2-CE2 3.48Å; Y260-Y300 AromaticContact CE2-CZ 3.67Å; Y260-V303 HydrophobicContact CD2-CB 3.98Å; Y260-V303 HydrophobicContact CD2-CG1 3.79Å; Y260-V303 HydrophobicContact CD2-CG2 3.95Å; Y260-V303 HydrophobicContact CE2-CG1 3.89Å; Y260-V303 HydrophobicContact CG-CB 4.4Å; Y260-V303 HydrophobicContact CG-CG1 4.49Å; Y260-V303 HydrophobicContact CG-CG2 3.86Å; Y260-N326 WeakPolarHBondContact CE1-ND2 3.24Å; Y260-N326 PolarHBondContact OH-ND2 3.05Å; Y260-L329 HydrophobicContact CD1-CD1 3.55Å; Y260-L329 HydrophobicContact CE1-CD1 3.66Å; Y260-L329 HydrophobicContact CG-CD1 4.28Å
261	T	98.8	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.3	174.5	-57.8	0	0	0	0	110.6	L233 L234 T240 L243 F244 L263 W269	L233-T261 WeakPolarHBondContact CA-O 3.37Å; L234-T261 HydrophobicContact CD1-CG2 4.33Å; L234-T261 PolarHBondContact N-O 3.45Å; L234-T261 PolarHBondContact O-N 3.23Å; L234-T261 VanDerWaalsContact O-N 3.12Å; T240-T261 VanDerWaalsContact CG2-OG1 3.26Å; T240-T261 WeakPolarHBondContact CG2-OG1 3.49Å; T240-T261 PolarHBondContact OG1-OG1 3.18Å; L243-T261 HydrophobicContact CD2-CG2 4.23Å; F244-T261 HydrophobicContact CE2-CG2 4.06Å; F244-T261 HydrophobicContact CZ-CG2 4.09Å; T261-L263 HydrophobicContact CG2-CB 4.48Å; T261-W269 WeakPolarHBondContact CA-O 3.43Å
262	L	98.8	Very high	97.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.2	163.9	-172.5	74	0	0	0	108	A231 L233 W269 F271 L307 Y310	A231-L262 HydrophobicContact CB-CD1 3.92Å; A231-L262 HydrophobicContact CB-CG 4.41Å; L233-L262 HydrophobicContact CB-CD1 4.01Å; L233-L262 HydrophobicContact CD1-CD1 4.13Å; L262-W269 HydrophobicContact CB-CB 4.23Å; L262-W269 HydrophobicContact CB-CE3 4.36Å; L262-W269 HydrophobicContact CD2-CD2 4.24Å; L262-W269 HydrophobicContact CD2-CE3 3.58Å; L262-W269 HydrophobicContact CD2-CZ3 3.8Å; L262-W269 PolarHBondContact N-O 3.47Å; L262-W269 PolarHBondContact O-N 2.86Å; L262-F271 HydrophobicContact CB-CE2 4.28Å; L262-L307 HydrophobicContact CD1-CD1 4.38Å; L262-Y310 HydrophobicContact CD2-CD1 3.93Å; L262-Y310 HydrophobicContact CD2-CD2 4.1Å; L262-Y310 HydrophobicContact CD2-CE1 4.35Å; L262-Y310 HydrophobicContact CD2-CG 3.81Å
263	L	98.8	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.7	178.7	173.8	62.8	0	0	0	109.2	V215 I218 R219 M222 A231 L232 T261 I268	V215-L263 HydrophobicContact CG1-CD1 3.9Å; I218-L263 HydrophobicContact CB-CD2 4.08Å; I218-L263 HydrophobicContact CG2-CD2 3.66Å; R219-L263 HydrophobicContact CG-CD1 4.46Å; M222-L263 HydrophobicContact SD-CD2 4.4Å; M222-L263 HydrophobicContact SD-CG 4.41Å; A231-L263 CarbonylContact C-O 3.47Å; A231-L263 VanDerWaalsContact CA-O 3.27Å; A231-L263 WeakPolarHBondContact CA-O 3.12Å; L232-L263 HydrophobicContact CB-CB 4.44Å; L232-L263 PolarHBondContact N-O 2.79Å; L232-L263 PolarHBondContact O-N 3.25Å; T261-L263 HydrophobicContact CG2-CB 4.48Å; L263-I268 HydrophobicContact CD1-CG1 3.86Å
264	T	98.1	Very high	97.3	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.055	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	178.4	171	80.4	0	0	0	0	110	R219 T230 A231 D266 E267 Y310	R219-T264 PolarHBondContact NE-O 3.49Å; R219-T264 PolarHBondContact NH2-O 3.35Å; T230-T264 WeakPolarHBondContact O-CA 3.49Å; T230-T264 WeakPolarHBondContact O-CB 3.43Å; A231-T264 HydrophobicContact CB-CG2 4.16Å; T264-D266 PolarHBondContact O-N 2.84Å; T264-D266 PolarHBondContact OG1-N 2.69Å; T264-E267 PolarHBondContact N-O 3.36Å; T264-E267 WeakPolarHBondContact OG1-CA 3.37Å; T264-E267 WeakPolarHBondContact OG1-CB 3.1Å; T264-E267 PolarHBondContact OG1-N 2.65Å; T264-E267 PolarHBondContact OG1-O 2.85Å; T264-Y310 HydrophobicContact CG2-CE2 3.87Å
265	L	96.6	Very high	97.3	Very high	50 Å²	50	25.7 Å²	25.7	26%	0.262	13%	0.134	S	C	.	.	S	Bend	trans	-63.6	-25.9	174.6	-64.3	179.3	0	0	0	113	R219 M222 R223	R219-L265 VanDerWaalsContact CZ-O 3.29Å; R219-L265 PolarHBondContact NE-O 3.11Å; R219-L265 VanDerWaalsContact NE-O 3.08Å; M222-L265 HydrophobicContact CB-CD2 4.29Å; M222-L265 HydrophobicContact CE-CD2 4.23Å; R223-L265 HydrophobicContact CG-CD2 3.89Å
266	D	95.1	Very high	97.2	Very high	114 Å²	114	25.7 Å²	25.7	61%	0.61	13%	0.133	S	C	*	.	S	Bend	trans	-130.3	-6.5	-170.5	-58.3	-58.4	0	0	0	114.3	T264 S292	T264-D266 PolarHBondContact O-N 2.84Å; T264-D266 PolarHBondContact OG1-N 2.69Å; D266-S292 WeakPolarHBondContact O-CA 3.25Å
267	E	96.9	Very high	97.3	Very high	72 Å²	72	25.1 Å²	25.1	34%	0.336	13%	0.131	S	C	.	.			trans	-137.1	158.3	179.6	-59.5	-166.5	123.8	0	0	111.2	R219 T264 W269 Q296	R219-E267 PolarHBondContact NH2-O 3.05Å; T264-E267 PolarHBondContact N-O 3.36Å; T264-E267 WeakPolarHBondContact OG1-CA 3.37Å; T264-E267 WeakPolarHBondContact OG1-CB 3.1Å; T264-E267 PolarHBondContact OG1-N 2.65Å; T264-E267 PolarHBondContact OG1-O 2.85Å; E267-W269 PolarHBondContact OE2-NE1 3.46Å; E267-Q296 PolarHBondContact OE1-NE2 3.47Å
268	I	98.6	Very high	97.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	115.2	175.8	-50.8	173.9	0	0	0	107.5	W211 V215 F244 L263 V295 Q296	W211-I268 HydrophobicContact CH2-CD1 4.49Å; W211-I268 HydrophobicContact CZ3-CD1 3.78Å; V215-I268 HydrophobicContact CG1-CD1 3.96Å; V215-I268 HydrophobicContact CG2-CD1 4.17Å; F244-I268 HydrophobicContact CE1-CG2 3.9Å; F244-I268 HydrophobicContact CZ-CG2 3.58Å; L263-I268 HydrophobicContact CD1-CG1 3.86Å; I268-V295 HydrophobicContact CB-CG2 4.47Å; I268-V295 HydrophobicContact CD1-CG2 4.33Å; I268-V295 HydrophobicContact CG2-CG1 4.38Å; I268-V295 HydrophobicContact CG2-CG2 4.16Å; I268-Q296 WeakPolarHBondContact O-CB 3.24Å; I268-Q296 PolarHBondContact O-N 2.59Å
269	W	98.6	Very high	97.2	Very high	20 Å²	20	33.8 Å²	33.8	8%	0.076	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119	174.6	-60.6	-2.3	0	0	0	109.4	T261 L262 E267 F271 K298 N306 Y310	T261-W269 WeakPolarHBondContact CA-O 3.43Å; L262-W269 HydrophobicContact CB-CB 4.23Å; L262-W269 HydrophobicContact CB-CE3 4.36Å; L262-W269 HydrophobicContact CD2-CD2 4.24Å; L262-W269 HydrophobicContact CD2-CE3 3.58Å; L262-W269 HydrophobicContact CD2-CZ3 3.8Å; L262-W269 PolarHBondContact N-O 3.47Å; L262-W269 PolarHBondContact O-N 2.86Å; E267-W269 PolarHBondContact OE2-NE1 3.46Å; W269-F271 HydrophobicContact CB-CE2 4Å; W269-F271 HydrophobicContact CB-CZ 4.34Å; W269-F271 HydrophobicContact CE3-CE2 4.31Å; W269-F271 AromaticContact CE3-CZ 3.85Å; W269-F271 HydrophobicContact CE3-CZ 3.85Å; W269-K298 HydrophobicContact CB-CD 4.12Å; W269-K298 HydrophobicContact CD2-CD 4.15Å; W269-K298 HydrophobicContact CE3-CD 4.18Å; W269-K298 HydrophobicContact CG-CD 4.14Å; W269-K298 VanDerWaalsContact CG-CE 3.42Å; W269-N306 HydrophobicContact CE3-CB 4.3Å; W269-N306 HydrophobicContact CZ3-CB 3.91Å; W269-Y310 HydrophobicContact CH2-CD2 4.09Å; W269-Y310 HydrophobicContact CZ3-CD2 4.49Å
270	L	98.7	Very high	97.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.3	174.3	175.2	58.1	0	0	0	109	T240 F244 V272 L285 V295 Q296 L297 K298	T240-L270 HydrophobicContact CG2-CD1 3.53Å; F244-L270 HydrophobicContact CD2-CD1 4.41Å; F244-L270 HydrophobicContact CD2-CD2 4.39Å; F244-L270 HydrophobicContact CE2-CD1 4.06Å; F244-L270 HydrophobicContact CE2-CD2 4.39Å; L270-V272 HydrophobicContact CG-CB 4.35Å; L270-V272 HydrophobicContact CG-CG1 4.24Å; L270-L285 HydrophobicContact CD2-CD1 4.23Å; L270-V295 HydrophobicContact CB-CG1 3.59Å; L270-V295 HydrophobicContact CD2-CG1 4.14Å; L270-Q296 PolarHBondContact N-O 3.2Å; L270-L297 HydrophobicContact CB-CD2 4.31Å; L270-L297 HydrophobicContact CD2-CD2 3.92Å; L270-L297 HydrophobicContact CG-CD2 4.3Å; L270-K298 PolarHBondContact O-N 3.46Å
271	F	98.8	Very high	97.1	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.6	174.1	-59.9	-88.1	0	0	0	108.8	S259 Y260 L262 W269 K298 V303 N306	S259-F271 CarbonylContact C-O 3.59Å; S259-F271 WeakPolarHBondContact CA-O 3.31Å; S259-F271 WeakPolarHBondContact CB-O 3.23Å; Y260-F271 PolarHBondContact N-O 2.95Å; Y260-F271 PolarHBondContact O-N 3.37Å; L262-F271 HydrophobicContact CB-CE2 4.28Å; W269-F271 HydrophobicContact CB-CE2 4Å; W269-F271 HydrophobicContact CB-CZ 4.34Å; W269-F271 HydrophobicContact CE3-CE2 4.31Å; W269-F271 AromaticContact CE3-CZ 3.85Å; W269-F271 HydrophobicContact CE3-CZ 3.85Å; F271-K298 WeakPolarHBondContact CA-O 3.26Å; F271-K298 HydrophobicContact CD1-CB 3.53Å; F271-K298 HydrophobicContact CD1-CD 4.12Å; F271-K298 HydrophobicContact CD1-CG 4.47Å; F271-K298 HydrophobicContact CE1-CB 3.71Å; F271-K298 HydrophobicContact CE1-CD 3.41Å; F271-K298 VanDerWaalsContact CE1-CD 3.41Å; F271-K298 HydrophobicContact CE1-CG 4.2Å; F271-K298 HydrophobicContact CG-CB 4.28Å; F271-K298 HydrophobicContact CZ-CD 3.66Å; F271-V303 HydrophobicContact CB-CB 4.35Å; F271-V303 HydrophobicContact CD1-CB 3.86Å; F271-V303 HydrophobicContact CD1-CG2 4.36Å; F271-V303 HydrophobicContact CD2-CB 4.31Å; F271-V303 HydrophobicContact CD2-CG2 3.96Å; F271-V303 HydrophobicContact CE1-CB 4.21Å; F271-V303 HydrophobicContact CE2-CG2 4.12Å; F271-V303 HydrophobicContact CG-CB 3.91Å; F271-V303 HydrophobicContact CG-CG2 4.08Å; F271-V303 HydrophobicContact CZ-CG2 4.38Å; F271-N306 HydrophobicContact CE1-CB 3.65Å; F271-N306 HydrophobicContact CZ-CB 3.64Å
272	V	97.8	Very high	97.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	163.1	-174.4	67.2	0	0	0	0	110.3	L199 F257 L270 T274 V277 L297 K298 Y300	L199-V272 HydrophobicContact CD1-CG2 4.09Å; F257-V272 HydrophobicContact CD2-CG2 4.18Å; L270-V272 HydrophobicContact CG-CB 4.35Å; L270-V272 HydrophobicContact CG-CG1 4.24Å; V272-T274 HydrophobicContact CG1-CG2 4.36Å; V272-T274 PolarHBondContact O-N 2.82Å; V272-V277 HydrophobicContact CG1-CG2 3.86Å; V272-L297 HydrophobicContact CG1-CD2 4.26Å; V272-K298 PolarHBondContact N-O 3.03Å; V272-K298 VanDerWaalsContact O-O 3.08Å; V272-Y300 PolarHBondContact O-N 2.68Å
273	H	95.9	Very high	97	Very high	44 Å²	44	47.8 Å²	47.8	20%	0.204	25%	0.252	C	S	.	.			trans	-68.3	93.9	165.7	-63.9	-66.8	0	0	0	109.3	N275 R276 Y300	H273-N275 PolarHBondContact O-N 3.43Å; H273-N275 VanDerWaalsContact O-N 3.11Å; H273-N275 PolarHBondContact O-OD1 3.32Å; H273-R276 HydrophobicContact CB-CG 4.12Å; H273-R276 WeakPolarHBondContact O-CB 3.31Å; H273-R276 PolarHBondContact O-N 2.78Å; H273-Y300 AromaticContact CE1-CD1 3.92Å; H273-Y300 AromaticContact NE2-CG 3.99Å
274	T	94.8	Very high	96.9	Very high	61 Å²	61	49.1 Å²	49.1	37%	0.374	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-62.8	-22.8	-166.9	55.5	0	0	0	0	114.4	V272 R276 V277 L297	V272-T274 HydrophobicContact CG1-CG2 4.36Å; V272-T274 PolarHBondContact O-N 2.82Å; T274-R276 PolarHBondContact O-N 2.89Å; T274-V277 PolarHBondContact O-N 3.33Å; T274-L297 HydrophobicContact CG2-CB 4.26Å
275	N	94.2	Very high	96.9	Very high	134 Å²	134	48.7 Å²	48.7	72%	0.717	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-64.9	-18.3	172.1	62.2	-31.7	0	0	0	113.5	H273	H273-N275 PolarHBondContact O-N 3.43Å; H273-N275 VanDerWaalsContact O-N 3.11Å; H273-N275 PolarHBondContact O-OD1 3.32Å
276	R	94.4	Very high	96.8	Very high	8 Å²	8	48.4 Å²	48.4	3%	0.03	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-90.6	-5.3	178.6	-57.1	-179.1	65.4	-163.8	1	113.6	D197 L199 N249 D250 H273 T274	D197-R276 PolarHBondContact O-NE 2.9Å; D197-R276 PolarHBondContact O-NH2 3.09Å; L199-R276 HydrophobicContact CG-CB 4.39Å; L199-R276 PolarHBondContact N-O 3.22Å; L199-R276 VanDerWaalsContact N-O 3.08Å; N249-R276 PolarHBondContact OD1-NH2 3.48Å; D250-R276 IonicContact OD1-CZ 3.53Å; D250-R276 IonicContact OD1-NH1 2.71Å; D250-R276 PolarHBondContact OD1-NH1 2.82Å; D250-R276 IonicContact OD1-NH2 3.91Å; D250-R276 PolarHBondContact OD1-NH2 3.12Å; D250-R276 IonicContact OD2-CZ 3.74Å; D250-R276 IonicContact OD2-NH1 3.39Å; D250-R276 PolarHBondContact OD2-NH1 3.05Å; H273-R276 HydrophobicContact CB-CG 4.12Å; H273-R276 WeakPolarHBondContact O-CB 3.31Å; H273-R276 PolarHBondContact O-N 2.78Å; T274-R276 PolarHBondContact O-N 2.89Å
277	V	96.8	Very high	96.7	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.036	24%	0.239	C	C	.	.	S	Bend	trans	-95.9	107.6	177.9	-169.8	0	0	0	0	108.8	L199 V272 T274 L281 K282 L285 L297	L199-V277 HydrophobicContact CD1-CG2 4.3Å; V272-V277 HydrophobicContact CG1-CG2 3.86Å; T274-V277 PolarHBondContact O-N 3.33Å; V277-L281 HydrophobicContact CG1-CB 3.7Å; V277-K282 HydrophobicContact CG1-CG 3.95Å; V277-K282 WeakPolarHBondContact O-CE 3.39Å; V277-L285 HydrophobicContact CG1-CD1 4.46Å; V277-L297 HydrophobicContact CB-CD1 4.28Å; V277-L297 HydrophobicContact CG1-CD1 3.99Å; V277-L297 HydrophobicContact CG2-CD1 4.48Å
278	T	97.1	Very high	96.2	Very high	49 Å²	49	46.7 Å²	46.7	30%	0.301	26%	0.263	S	S	.	.			trans	-68	163.9	180	67.4	0	0	0	0	111.9	E280 L281 K282	T278-E280 PolarHBondContact O-N 3.3Å; T278-L281 PolarHBondContact O-N 3.36Å; T278-L281 VanDerWaalsContact O-N 3.09Å; T278-L281 PolarHBondContact OG1-N 2.9Å; T278-K282 WeakPolarHBondContact O-CG 3.38Å; T278-K282 PolarHBondContact O-N 3.21Å
279	E	96.7	Very high	95.8	Very high	134 Å²	134	49.5 Å²	49.5	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-59.8	-34.7	175.4	-64.7	-53.3	131.6	0	0	112.7	K282 A283	E279-K282 PolarHBondContact O-N 2.96Å; E279-K282 IonicContact OE1-NZ 2.69Å; E279-K282 PolarHBondContact OE1-NZ 3.24Å; E279-A283 PolarHBondContact O-N 2.88Å
280	E	96.9	Very high	95.2	Very high	158 Å²	158	56.6 Å²	56.6	74%	0.738	32%	0.322	S	S	*	.	H	α-helix	trans	-61.8	-44	173.4	-175.6	-175.4	172.5	0	0	111.5	T278 A283 Y284	T278-E280 PolarHBondContact O-N 3.3Å; E280-A283 PolarHBondContact O-N 2.93Å; E280-Y284 WeakPolarHBondContact O-CB 3.47Å; E280-Y284 PolarHBondContact O-N 3.49Å
281	L	97.6	Very high	94.9	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-35.7	177.2	-70.6	-176.5	0	0	0	112.5	L199 R201 L246 V277 T278 A283 Y284 L285	L199-L281 HydrophobicContact CB-CD1 3.66Å; L199-L281 WeakPolarHBondContact O-CD1 3.31Å; R201-L281 HydrophobicContact CB-CD2 3.83Å; L246-L281 HydrophobicContact CD2-CD2 3.83Å; V277-L281 HydrophobicContact CG1-CB 3.7Å; T278-L281 PolarHBondContact O-N 3.36Å; T278-L281 VanDerWaalsContact O-N 3.09Å; T278-L281 PolarHBondContact OG1-N 2.9Å; L281-A283 VanDerWaalsContact C-N 3.29Å; L281-A283 PolarHBondContact O-N 3.11Å; L281-Y284 HydrophobicContact CD2-CD1 4.36Å; L281-Y284 PolarHBondContact O-N 3.22Å; L281-L285 WeakPolarHBondContact O-CB 3.41Å; L281-L285 VanDerWaalsContact O-CG 3.28Å; L281-L285 WeakPolarHBondContact O-CG 3.4Å; L281-L285 PolarHBondContact O-N 2.9Å
282	K	97.4	Very high	94.6	Very high	58 Å²	58	61.1 Å²	61.1	25%	0.252	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-42.5	171.9	-69.9	176	-169.8	170.6	0	111	V277 T278 E279 S286 A287 L297	V277-K282 HydrophobicContact CG1-CG 3.95Å; V277-K282 WeakPolarHBondContact O-CE 3.39Å; T278-K282 WeakPolarHBondContact O-CG 3.38Å; T278-K282 PolarHBondContact O-N 3.21Å; E279-K282 PolarHBondContact O-N 2.96Å; E279-K282 IonicContact OE1-NZ 2.69Å; E279-K282 PolarHBondContact OE1-NZ 3.24Å; K282-S286 PolarHBondContact O-N 2.91Å; K282-S286 VanDerWaalsContact O-N 3.12Å; K282-A287 HydrophobicContact CB-CB 4.14Å; K282-A287 HydrophobicContact CG-CB 4.46Å; K282-A287 WeakPolarHBondContact O-CB 3.43Å; K282-A287 PolarHBondContact O-N 3.46Å; K282-L297 HydrophobicContact CG-CD1 3.95Å
283	A	97.1	Very high	94.5	Very high	73 Å²	73	64.1 Å²	64.1	60%	0.603	38%	0.377	S	S	*	.	H	α-helix	trans	-64.6	-45.8	174.7	0	0	0	0	0	111.7	E279 E280 L281 L285 S286	E279-A283 PolarHBondContact O-N 2.88Å; E280-A283 PolarHBondContact O-N 2.93Å; L281-A283 VanDerWaalsContact C-N 3.29Å; L281-A283 PolarHBondContact O-N 3.11Å; A283-L285 VanDerWaalsContact C-N 3.33Å; A283-L285 PolarHBondContact O-N 3.41Å; A283-S286 PolarHBondContact O-N 2.95Å
284	Y	97.4	Very high	94.6	Very high	29 Å²	29	62.5 Å²	62.5	11%	0.114	37%	0.37	C	S	.	.	H	α-helix	trans	-58.6	-41.4	177.1	168.1	-113.7	0	0	0	113.4	R201 W211 F244 L246 E280 L281 S286	R201-Y284 HydrophobicContact CB-CD1 4.45Å; R201-Y284 HydrophobicContact CB-CE1 4.31Å; R201-Y284 HydrophobicContact CG-CE1 4.11Å; R201-Y284 HydrophobicContact CG-CE2 4.32Å; R201-Y284 VanDerWaalsContact CZ-CD2 3.45Å; R201-Y284 VanDerWaalsContact NH1-CE2 3.34Å; W211-Y284 AromaticContact CD1-CE1 3.88Å; W211-Y284 AromaticContact CD1-CE2 3.5Å; W211-Y284 VanDerWaalsContact CD1-CE2 3.5Å; W211-Y284 AromaticContact CD1-CZ 3.27Å; W211-Y284 VanDerWaalsContact CD1-OH 3.25Å; W211-Y284 AromaticContact NE1-CE2 3.79Å; W211-Y284 AromaticContact NE1-CZ 3.86Å; W211-Y284 PolarHBondContact NE1-O 3.21Å; W211-Y284 VanDerWaalsContact NE1-O 3.12Å; F244-Y284 WeakPolarHBondContact O-CE1 2.97Å; F244-Y284 PolarHBondContact O-OH 3.15Å; L246-Y284 HydrophobicContact CD2-CD1 4.14Å; L246-Y284 HydrophobicContact CD2-CE1 3.84Å; E280-Y284 WeakPolarHBondContact O-CB 3.47Å; E280-Y284 PolarHBondContact O-N 3.49Å; L281-Y284 HydrophobicContact CD2-CD1 4.36Å; L281-Y284 PolarHBondContact O-N 3.22Å; Y284-S286 PolarHBondContact O-N 2.75Å
285	L	97.5	Very high	94.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.1	177.6	-65.2	173.7	0	0	0	113.2	F244 L246 L270 V277 L281 A283 A287 V295 L297	F244-L285 HydrophobicContact CB-CD2 4.22Å; F244-L285 HydrophobicContact CD1-CD2 3.95Å; F244-L285 HydrophobicContact CG-CD2 4.28Å; L246-L285 HydrophobicContact CD1-CD1 4.17Å; L246-L285 HydrophobicContact CD1-CD2 4.25Å; L270-L285 HydrophobicContact CD2-CD1 4.23Å; V277-L285 HydrophobicContact CG1-CD1 4.46Å; L281-L285 WeakPolarHBondContact O-CB 3.41Å; L281-L285 VanDerWaalsContact O-CG 3.28Å; L281-L285 WeakPolarHBondContact O-CG 3.4Å; L281-L285 PolarHBondContact O-N 2.9Å; A283-L285 VanDerWaalsContact C-N 3.33Å; A283-L285 PolarHBondContact O-N 3.41Å; L285-A287 PolarHBondContact O-N 2.99Å; L285-V295 HydrophobicContact CB-CB 4.01Å; L285-V295 HydrophobicContact CB-CG2 4.09Å; L285-V295 HydrophobicContact CD2-CG2 4.24Å; L285-V295 WeakPolarHBondContact O-CB 3.34Å; L285-V295 WeakPolarHBondContact O-CG2 3.29Å; L285-V295 PolarHBondContact O-N 2.98Å; L285-L297 HydrophobicContact CD1-CD2 4.27Å
286	S	95.7	Very high	94.9	Very high	43 Å²	43	56.4 Å²	56.4	30%	0.301	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	43.3	-175.2	-53.8	0	0	0	0	112.4	K282 A283 Y284 S288 C289	K282-S286 PolarHBondContact O-N 2.91Å; K282-S286 VanDerWaalsContact O-N 3.12Å; A283-S286 PolarHBondContact O-N 2.95Å; Y284-S286 PolarHBondContact O-N 2.75Å; S286-S288 PolarHBondContact O-N 3.48Å; S286-S288 VanDerWaalsContact O-N 3.1Å; S286-C289 WeakPolarHBondContact CB-SG 3.42Å; S286-C289 PolarHBondContact O-N 3.49Å; S286-C289 PolarHBondContact O-SG 2.97Å
287	A	92.2	Very high	95.1	Very high	30 Å²	30	58.2 Å²	58.2	25%	0.248	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-4.1	-169.5	0	0	0	0	0	115.1	K282 L285 V295 L297	K282-A287 HydrophobicContact CB-CB 4.14Å; K282-A287 HydrophobicContact CG-CB 4.46Å; K282-A287 WeakPolarHBondContact O-CB 3.43Å; K282-A287 PolarHBondContact O-N 3.46Å; L285-A287 PolarHBondContact O-N 2.99Å; A287-V295 WeakPolarHBondContact CA-O 3.24Å; A287-L297 HydrophobicContact CB-CD1 4.02Å; A287-L297 HydrophobicContact CB-CG 4.14Å
288	S	87.3	Confident	95.1	Very high	120 Å²	120	59.9 Å²	59.9	84%	0.839	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	6.4	-179.8	-53.5	0	0	0	0	113.9	S286	S286-S288 PolarHBondContact O-N 3.48Å; S286-S288 VanDerWaalsContact O-N 3.1Å
289	C	89.6	Confident	95.2	Very high	60 Å²	60	60.1 Å²	60.1	41%	0.405	35%	0.354	S	S	.	.	S	Bend	trans	-100.6	170.3	178.3	66.4	0	0	0	0	113.2	S286 C294	S286-C289 WeakPolarHBondContact CB-SG 3.42Å; S286-C289 PolarHBondContact O-N 3.49Å; S286-C289 PolarHBondContact O-SG 2.97Å; C289-C294 HydrophobicContact CB-CB 4.25Å; C289-C294 WeakPolarHBondContact CB-SG 3.46Å; C289-C294 VanDerWaalsContact O-CB 3.25Å; C289-C294 WeakPolarHBondContact O-CB 3.49Å; C289-C294 PolarHBondContact O-SG 3.44Å; C289-C294 WeakPolarHBondContact SG-CB 3.46Å; C289-C294 CovalentContact SG-SG 2.03Å; C289-C294 PolarHBondContact SG-SG 3.37Å
290	N	86.1	Confident	95.2	Very high	168 Å²	168	55 Å²	55	90%	0.898	33%	0.329	S	S	*	.			trans	-110.1	133.5	168.2	-65.8	-20.9	0	0	0	109	C294	N290-C294 PolarHBondContact N-SG 3.2Å
291	G	91.3	Very high	95.2	Very high	47 Å²	47	53.5 Å²	53.5	49%	0.485	33%	0.326	S	S	.	.	S	Bend	trans	145.5	171.6	-179.7	0	0	0	0	0	112.7	L293 C294	G291-L293 PolarHBondContact O-N 3.02Å; G291-C294 PolarHBondContact N-SG 3.38Å; G291-C294 VanDerWaalsContact N-SG 3.39Å; G291-C294 WeakPolarHBondContact O-CB 3.21Å; G291-C294 PolarHBondContact O-N 2.77Å
292	S	93.6	Very high	95.2	Very high	52 Å²	52	54.5 Å²	54.5	36%	0.364	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.1	-174.5	64.7	0	0	0	0	114.7	R219 D266	R219-S292 VanDerWaalsContact CZ-O 3.23Å; R219-S292 PolarHBondContact NH1-O 2.91Å; R219-S292 PolarHBondContact NH2-O 3.1Å; D266-S292 WeakPolarHBondContact O-CA 3.25Å
293	L	95.9	Very high	95.2	Very high	66 Å²	66	52 Å²	52	35%	0.346	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	33.4	174	-62.3	175.3	0	0	0	111.5	W211 Q212 V215 G291	W211-L293 HydrophobicContact CH2-CB 4.34Å; W211-L293 VanDerWaalsContact CH2-O 3.31Å; W211-L293 WeakPolarHBondContact CH2-O 3.39Å; W211-L293 HydrophobicContact CZ3-CD2 4.47Å; Q212-L293 HydrophobicContact CB-CD1 4.24Å; Q212-L293 HydrophobicContact CB-CD2 4.32Å; Q212-L293 HydrophobicContact CG-CD1 4.21Å; Q212-L293 HydrophobicContact CG-CD2 4.41Å; V215-L293 HydrophobicContact CG1-CD2 4.06Å; G291-L293 PolarHBondContact O-N 3.02Å
294	C	96.3	Very high	95.3	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.061	30%	0.304	C	S	.	.			trans	-110.5	120.1	171.7	-56	0	0	0	0	108.8	C289 N290 G291 Q296	C289-C294 HydrophobicContact CB-CB 4.25Å; C289-C294 WeakPolarHBondContact CB-SG 3.46Å; C289-C294 VanDerWaalsContact O-CB 3.25Å; C289-C294 WeakPolarHBondContact O-CB 3.49Å; C289-C294 PolarHBondContact O-SG 3.44Å; C289-C294 WeakPolarHBondContact SG-CB 3.46Å; C289-C294 CovalentContact SG-SG 2.03Å; C289-C294 PolarHBondContact SG-SG 3.37Å; N290-C294 PolarHBondContact N-SG 3.2Å; G291-C294 PolarHBondContact N-SG 3.38Å; G291-C294 VanDerWaalsContact N-SG 3.39Å; G291-C294 WeakPolarHBondContact O-CB 3.21Å; G291-C294 PolarHBondContact O-N 2.77Å; C294-Q296 PolarHBondContact O-N 2.77Å
295	V	98.2	Very high	95.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.3	-179	-179.5	0	0	0	0	110.3	W211 F244 I268 L270 L285 A287 L297	W211-V295 HydrophobicContact CH2-CG2 3.83Å; W211-V295 HydrophobicContact CZ2-CG2 4.46Å; W211-V295 HydrophobicContact CZ3-CG2 3.95Å; F244-V295 HydrophobicContact CD1-CG2 4.38Å; F244-V295 HydrophobicContact CE1-CG2 3.82Å; I268-V295 HydrophobicContact CB-CG2 4.47Å; I268-V295 HydrophobicContact CD1-CG2 4.33Å; I268-V295 HydrophobicContact CG2-CG1 4.38Å; I268-V295 HydrophobicContact CG2-CG2 4.16Å; L270-V295 HydrophobicContact CB-CG1 3.59Å; L270-V295 HydrophobicContact CD2-CG1 4.14Å; L285-V295 HydrophobicContact CB-CB 4.01Å; L285-V295 HydrophobicContact CB-CG2 4.09Å; L285-V295 HydrophobicContact CD2-CG2 4.24Å; L285-V295 WeakPolarHBondContact O-CB 3.34Å; L285-V295 WeakPolarHBondContact O-CG2 3.29Å; L285-V295 PolarHBondContact O-N 2.98Å; A287-V295 WeakPolarHBondContact CA-O 3.24Å; V295-L297 HydrophobicContact CG1-CD2 4.25Å; V295-L297 PolarHBondContact O-N 3.31Å
296	Q	97.9	Very high	95.3	Very high	67 Å²	67	56.8 Å²	56.8	31%	0.313	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	108.6	174.7	-58.1	-177.8	26.1	0	0	109.7	E267 I268 L270 C294 K298	E267-Q296 PolarHBondContact OE1-NE2 3.47Å; I268-Q296 WeakPolarHBondContact O-CB 3.24Å; I268-Q296 PolarHBondContact O-N 2.59Å; L270-Q296 PolarHBondContact N-O 3.2Å; C294-Q296 PolarHBondContact O-N 2.77Å; Q296-K298 PolarHBondContact O-N 2.84Å
297	L	98.1	Very high	95.4	Very high	46 Å²	46	54.9 Å²	54.9	24%	0.241	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.3	175.8	-61.1	178.5	0	0	0	110.4	L270 V272 T274 V277 K282 L285 A287 V295	L270-L297 HydrophobicContact CB-CD2 4.31Å; L270-L297 HydrophobicContact CD2-CD2 3.92Å; L270-L297 HydrophobicContact CG-CD2 4.3Å; V272-L297 HydrophobicContact CG1-CD2 4.26Å; T274-L297 HydrophobicContact CG2-CB 4.26Å; V277-L297 HydrophobicContact CB-CD1 4.28Å; V277-L297 HydrophobicContact CG1-CD1 3.99Å; V277-L297 HydrophobicContact CG2-CD1 4.48Å; K282-L297 HydrophobicContact CG-CD1 3.95Å; L285-L297 HydrophobicContact CD1-CD2 4.27Å; A287-L297 HydrophobicContact CB-CD1 4.02Å; A287-L297 HydrophobicContact CB-CG 4.14Å; V295-L297 HydrophobicContact CG1-CD2 4.25Å; V295-L297 PolarHBondContact O-N 3.31Å
298	K	98.1	Very high	95.6	Very high	41 Å²	41	57.1 Å²	57.1	18%	0.178	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	153	176.5	-66	179.8	-177.5	-76.1	0	109.9	W269 L270 F271 V272 Q296 Y300 N306	W269-K298 HydrophobicContact CB-CD 4.12Å; W269-K298 HydrophobicContact CD2-CD 4.15Å; W269-K298 HydrophobicContact CE3-CD 4.18Å; W269-K298 HydrophobicContact CG-CD 4.14Å; W269-K298 VanDerWaalsContact CG-CE 3.42Å; L270-K298 PolarHBondContact O-N 3.46Å; F271-K298 WeakPolarHBondContact CA-O 3.26Å; F271-K298 HydrophobicContact CD1-CB 3.53Å; F271-K298 HydrophobicContact CD1-CD 4.12Å; F271-K298 HydrophobicContact CD1-CG 4.47Å; F271-K298 HydrophobicContact CE1-CB 3.71Å; F271-K298 HydrophobicContact CE1-CD 3.41Å; F271-K298 VanDerWaalsContact CE1-CD 3.41Å; F271-K298 HydrophobicContact CE1-CG 4.2Å; F271-K298 HydrophobicContact CG-CB 4.28Å; F271-K298 HydrophobicContact CZ-CD 3.66Å; V272-K298 PolarHBondContact N-O 3.03Å; V272-K298 VanDerWaalsContact O-O 3.08Å; Q296-K298 PolarHBondContact O-N 2.84Å; K298-Y300 PolarHBondContact O-N 2.94Å; K298-N306 HydrophobicContact CD-CB 4.48Å; K298-N306 PolarHBondContact NZ-OD1 2.95Å
299	S	97.9	Very high	96.1	Very high	54 Å²	54	55.2 Å²	55.2	38%	0.378	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	136	174.9	179.8	0	0	0	0	110.4	D301 S302	S299-D301 VanDerWaalsContact C-N 3.28Å; S299-D301 PolarHBondContact O-N 3.48Å; S299-S302 WeakPolarHBondContact O-CB 3.43Å; S299-S302 PolarHBondContact O-N 3.36Å; S299-S302 PolarHBondContact O-OG 3.07Å
300	Y	97.6	Very high	96.4	Very high	26 Å²	26	53.1 Å²	53.1	10%	0.102	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-46.6	-49.8	176.3	177.8	-97	0	0	0	112.5	H73 Y260 V272 H273 K298 S302 V303	H73-Y300 AromaticContact CE1-CE2 3.75Å; H73-Y300 AromaticContact NE2-CE2 3.43Å; H73-Y300 WeakPolarHBondContact NE2-CE2 3.36Å; H73-Y300 AromaticContact NE2-CZ 3.58Å; H73-Y300 PolarHBondContact NE2-OH 3.29Å; Y260-Y300 HydrophobicContact CD2-CD2 4.19Å; Y260-Y300 AromaticContact CD2-CE2 3.8Å; Y260-Y300 HydrophobicContact CD2-CE2 3.8Å; Y260-Y300 HydrophobicContact CE2-CD2 4.26Å; Y260-Y300 AromaticContact CE2-CE2 3.48Å; Y260-Y300 HydrophobicContact CE2-CE2 3.48Å; Y260-Y300 VanDerWaalsContact CE2-CE2 3.48Å; Y260-Y300 AromaticContact CE2-CZ 3.67Å; V272-Y300 PolarHBondContact O-N 2.68Å; H273-Y300 AromaticContact CE1-CD1 3.92Å; H273-Y300 AromaticContact NE2-CG 3.99Å; K298-Y300 PolarHBondContact O-N 2.94Å; Y300-S302 PolarHBondContact O-N 3.33Å; Y300-S302 VanDerWaalsContact O-N 3.1Å; Y300-V303 PolarHBondContact O-N 3.41Å
301	D	96.1	Very high	96.9	Very high	126 Å²	126	45.5 Å²	45.5	67%	0.674	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-69.2	-12.8	-176.3	-54.9	-53.4	0	0	0	113.7	S299 V303	S299-D301 VanDerWaalsContact C-N 3.28Å; S299-D301 PolarHBondContact O-N 3.48Å; D301-V303 VanDerWaalsContact C-N 3.34Å
302	S	97.9	Very high	97.2	Very high	29 Å²	29	47.1 Å²	47.1	20%	0.203	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-87	-1.2	-177.5	76.3	0	0	0	0	113.9	S299 Y300 R304 Q305 N306	S299-S302 WeakPolarHBondContact O-CB 3.43Å; S299-S302 PolarHBondContact O-N 3.36Å; S299-S302 PolarHBondContact O-OG 3.07Å; Y300-S302 PolarHBondContact O-N 3.33Å; Y300-S302 VanDerWaalsContact O-N 3.1Å; S302-R304 PolarHBondContact O-N 3.15Å; S302-Q305 PolarHBondContact O-N 2.93Å; S302-N306 WeakPolarHBondContact CB-ND2 3.41Å; S302-N306 PolarHBondContact O-N 2.71Å; S302-N306 PolarHBondContact O-ND2 2.98Å; S302-N306 PolarHBondContact OG-ND2 3.48Å; S302-N306 VanDerWaalsContact OG-ND2 3.15Å
303	V	98.1	Very high	97.2	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-54.9	-49.1	-174.9	63	0	0	0	0	113	Y260 F271 Y300 D301 Q305 N306 L307 L329	Y260-V303 HydrophobicContact CD2-CB 3.98Å; Y260-V303 HydrophobicContact CD2-CG1 3.79Å; Y260-V303 HydrophobicContact CD2-CG2 3.95Å; Y260-V303 HydrophobicContact CE2-CG1 3.89Å; Y260-V303 HydrophobicContact CG-CB 4.4Å; Y260-V303 HydrophobicContact CG-CG1 4.49Å; Y260-V303 HydrophobicContact CG-CG2 3.86Å; F271-V303 HydrophobicContact CB-CB 4.35Å; F271-V303 HydrophobicContact CD1-CB 3.86Å; F271-V303 HydrophobicContact CD1-CG2 4.36Å; F271-V303 HydrophobicContact CD2-CB 4.31Å; F271-V303 HydrophobicContact CD2-CG2 3.96Å; F271-V303 HydrophobicContact CE1-CB 4.21Å; F271-V303 HydrophobicContact CE2-CG2 4.12Å; F271-V303 HydrophobicContact CG-CB 3.91Å; F271-V303 HydrophobicContact CG-CG2 4.08Å; F271-V303 HydrophobicContact CZ-CG2 4.38Å; Y300-V303 PolarHBondContact O-N 3.41Å; D301-V303 VanDerWaalsContact C-N 3.34Å; V303-Q305 PolarHBondContact O-N 3.28Å; V303-N306 PolarHBondContact O-N 2.75Å; V303-L307 VanDerWaalsContact O-CB 3.28Å; V303-L307 WeakPolarHBondContact O-CB 3.49Å; V303-L307 PolarHBondContact O-N 3.1Å; V303-L329 HydrophobicContact CG1-CD2 4.12Å; V303-L329 HydrophobicContact CG2-CD1 4.07Å; V303-L329 HydrophobicContact CG2-CD2 3.93Å
304	R	97.6	Very high	96.9	Very high	55 Å²	55	50.6 Å²	50.6	21%	0.208	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-47	179.8	-73.7	-177	64.4	105.9	-2.9	111.6	F155 S302 L307 M308 A328 L329 E331 L332	F155-R304 HydrophobicContact CZ-CG 4.11Å; S302-R304 PolarHBondContact O-N 3.15Å; R304-L307 PolarHBondContact O-N 3.03Å; R304-M308 WeakPolarHBondContact O-CG 3.32Å; R304-M308 PolarHBondContact O-N 2.93Å; R304-A328 PolarHBondContact NH1-O 3.33Å; R304-L329 HydrophobicContact CG-CD2 3.87Å; R304-E331 IonicContact CZ-OE1 2.79Å; R304-E331 IonicContact NH1-OE1 3.41Å; R304-E331 PolarHBondContact NH1-OE1 3.22Å; R304-E331 IonicContact NH2-OE1 3.99Å; R304-E331 PolarHBondContact NH2-OE1 2.85Å; R304-L332 HydrophobicContact CB-CD1 3.94Å; R304-L332 HydrophobicContact CG-CD1 3.98Å
305	Q	98	Very high	96.6	Very high	114 Å²	114	57.1 Å²	57.1	53%	0.533	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-44.7	-178.3	-177.5	57.1	56.3	0	0	112	S302 V303 M308 T309	S302-Q305 PolarHBondContact O-N 2.93Å; V303-Q305 PolarHBondContact O-N 3.28Å; Q305-M308 HydrophobicContact CB-CE 4.47Å; Q305-M308 PolarHBondContact O-N 3.12Å; Q305-T309 PolarHBondContact O-N 3.02Å; Q305-T309 VanDerWaalsContact O-N 3.1Å; Q305-T309 PolarHBondContact O-OG1 2.68Å
306	N	98.1	Very high	96.5	Very high	34 Å²	34	57.5 Å²	57.5	18%	0.182	32%	0.316	C	S	.	.	H	α-helix	trans	-67.7	-38.9	178	-77	-96.9	0	0	0	111.4	W269 F271 K298 S302 V303 T309 Y310	W269-N306 HydrophobicContact CE3-CB 4.3Å; W269-N306 HydrophobicContact CZ3-CB 3.91Å; F271-N306 HydrophobicContact CE1-CB 3.65Å; F271-N306 HydrophobicContact CZ-CB 3.64Å; K298-N306 HydrophobicContact CD-CB 4.48Å; K298-N306 PolarHBondContact NZ-OD1 2.95Å; S302-N306 WeakPolarHBondContact CB-ND2 3.41Å; S302-N306 PolarHBondContact O-N 2.71Å; S302-N306 PolarHBondContact O-ND2 2.98Å; S302-N306 PolarHBondContact OG-ND2 3.48Å; S302-N306 VanDerWaalsContact OG-ND2 3.15Å; V303-N306 PolarHBondContact O-N 2.75Å; N306-T309 PolarHBondContact O-N 2.9Å; N306-Y310 WeakPolarHBondContact O-CB 3.12Å; N306-Y310 PolarHBondContact O-N 3.26Å
307	L	97.7	Very high	96.5	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-43	176.2	-176.6	60.8	0	0	0	111.4	L233 L262 V303 R304 T309 Y310 V311 L329 L332	L233-L307 HydrophobicContact CD2-CD2 3.95Å; L262-L307 HydrophobicContact CD1-CD1 4.38Å; V303-L307 VanDerWaalsContact O-CB 3.28Å; V303-L307 WeakPolarHBondContact O-CB 3.49Å; V303-L307 PolarHBondContact O-N 3.1Å; R304-L307 PolarHBondContact O-N 3.03Å; L307-T309 VanDerWaalsContact C-N 3.3Å; L307-T309 PolarHBondContact O-N 3.09Å; L307-Y310 PolarHBondContact O-N 3.31Å; L307-Y310 VanDerWaalsContact O-N 3.15Å; L307-V311 HydrophobicContact CD1-CG1 3.86Å; L307-V311 HydrophobicContact CG-CG1 4.27Å; L307-V311 WeakPolarHBondContact O-CG1 3.44Å; L307-V311 WeakPolarHBondContact O-CG2 3.39Å; L307-V311 PolarHBondContact O-N 3.09Å; L307-L329 HydrophobicContact CD2-CB 3.93Å; L307-L329 HydrophobicContact CD2-CD2 4.11Å; L307-L332 HydrophobicContact CD2-CB 4.4Å; L307-L332 HydrophobicContact CD2-CD1 4.28Å
308	M	97.1	Very high	96.5	Very high	76 Å²	76	56.2 Å²	56.2	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-57.9	-42.4	173.2	-74.9	-172.2	-64.6	0	0	112	R304 Q305 A312 L332	R304-M308 WeakPolarHBondContact O-CG 3.32Å; R304-M308 PolarHBondContact O-N 2.93Å; Q305-M308 HydrophobicContact CB-CE 4.47Å; Q305-M308 PolarHBondContact O-N 3.12Å; M308-A312 WeakPolarHBondContact O-CB 3.45Å; M308-A312 PolarHBondContact O-N 3.43Å; M308-A312 VanDerWaalsContact O-N 3.14Å; M308-L332 HydrophobicContact CG-CB 4.44Å; M308-L332 HydrophobicContact CG-CD1 4Å; M308-L332 HydrophobicContact CG-CD2 3.85Å; M308-L332 HydrophobicContact CG-CG 4.32Å; M308-L332 HydrophobicContact SD-CD2 4.05Å
309	T	96.7	Very high	96.5	Very high	80 Å²	80	55.3 Å²	55.3	49%	0.491	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-38.5	176	-60.2	0	0	0	0	112	Q305 N306 L307	Q305-T309 PolarHBondContact O-N 3.02Å; Q305-T309 VanDerWaalsContact O-N 3.1Å; Q305-T309 PolarHBondContact O-OG1 2.68Å; N306-T309 PolarHBondContact O-N 2.9Å; L307-T309 VanDerWaalsContact C-N 3.3Å; L307-T309 PolarHBondContact O-N 3.09Å
310	Y	96.2	Very high	96.5	Very high	16 Å²	16	52.7 Å²	52.7	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-50.9	177.5	-175.8	-98.6	0	0	0	111.7	T230 A231 L262 T264 W269 N306 L307 A312 Q313 V316 V318	T230-Y310 PolarHBondContact OG1-OH 3.12Å; A231-Y310 HydrophobicContact CB-CE1 3.67Å; L262-Y310 HydrophobicContact CD2-CD1 3.93Å; L262-Y310 HydrophobicContact CD2-CD2 4.1Å; L262-Y310 HydrophobicContact CD2-CE1 4.35Å; L262-Y310 HydrophobicContact CD2-CG 3.81Å; T264-Y310 HydrophobicContact CG2-CE2 3.87Å; W269-Y310 HydrophobicContact CH2-CD2 4.09Å; W269-Y310 HydrophobicContact CZ3-CD2 4.49Å; N306-Y310 WeakPolarHBondContact O-CB 3.12Å; N306-Y310 PolarHBondContact O-N 3.26Å; L307-Y310 PolarHBondContact O-N 3.31Å; L307-Y310 VanDerWaalsContact O-N 3.15Å; Y310-A312 PolarHBondContact O-N 3Å; Y310-Q313 WeakPolarHBondContact O-CB 3.38Å; Y310-Q313 WeakPolarHBondContact O-CG 3.4Å; Y310-Q313 PolarHBondContact O-N 3.42Å; Y310-Q313 VanDerWaalsContact O-N 3.15Å; Y310-V316 HydrophobicContact CE1-CB 4.19Å; Y310-V316 HydrophobicContact CE1-CG1 4.14Å; Y310-V318 HydrophobicContact CD1-CG2 4.38Å; Y310-V318 HydrophobicContact CE1-CG2 4.15Å
311	V	96.9	Very high	96.5	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	28%	0.282	C	S	.	.	H	α-helix	trans	-70.3	-14.6	-178.3	-60.2	0	0	0	0	113.3	L307 Q313 V318 L332 I333 K338	L307-V311 HydrophobicContact CD1-CG1 3.86Å; L307-V311 HydrophobicContact CG-CG1 4.27Å; L307-V311 WeakPolarHBondContact O-CG1 3.44Å; L307-V311 WeakPolarHBondContact O-CG2 3.39Å; L307-V311 PolarHBondContact O-N 3.09Å; V311-Q313 VanDerWaalsContact C-N 3.26Å; V311-Q313 PolarHBondContact O-N 3.32Å; V311-V318 HydrophobicContact CG1-CG2 4.01Å; V311-L332 VanDerWaalsContact CG2-O 3.25Å; V311-L332 WeakPolarHBondContact CG2-O 3.38Å; V311-I333 HydrophobicContact CG1-CG1 4.36Å; V311-K338 PolarHBondContact O-NZ 2.81Å
312	A	96.3	Very high	96.5	Very high	80 Å²	80	46.5 Å²	46.5	66%	0.661	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.2	172.6	0	0	0	0	0	113.4	M308 Y310	M308-A312 WeakPolarHBondContact O-CB 3.45Å; M308-A312 PolarHBondContact O-N 3.43Å; M308-A312 VanDerWaalsContact O-N 3.14Å; Y310-A312 PolarHBondContact O-N 3Å
313	Q	95.3	Very high	96.3	Very high	98 Å²	98	47 Å²	47	46%	0.458	26%	0.255	S	S	.	.	S	Bend	trans	-67.9	154.9	178.2	-59.3	176.1	28.4	0	0	111.6	Y310 V311 V316 K338	Y310-Q313 WeakPolarHBondContact O-CB 3.38Å; Y310-Q313 WeakPolarHBondContact O-CG 3.4Å; Y310-Q313 PolarHBondContact O-N 3.42Å; Y310-Q313 VanDerWaalsContact O-N 3.15Å; V311-Q313 VanDerWaalsContact C-N 3.26Å; V311-Q313 PolarHBondContact O-N 3.32Å; Q313-V316 HydrophobicContact CB-CG1 3.82Å; Q313-K338 PolarHBondContact O-NZ 3.24Å
314	S	89.4	Confident	96.1	Very high	94 Å²	94	48.8 Å²	48.8	66%	0.657	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	156.1	169.9	61	0	0	0	0	110.5	V316	S314-V316 PolarHBondContact O-N 3.36Å; S314-V316 VanDerWaalsContact O-N 3.13Å
315	D	89.6	Confident	96.1	Very high	145 Å²	145	46.3 Å²	46.3	78%	0.775	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	21.9	171.1	-48.7	-55.1	0	0	0	116.6	T230	T230-D315 WeakPolarHBondContact CG2-O 3.44Å
316	V	96.1	Very high	96.1	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.055	23%	0.227	C	C	.	.			trans	-90.8	136.8	174.4	-59.2	0	0	0	0	111.8	T230 Y310 Q313 S314 K338	T230-V316 WeakPolarHBondContact OG1-CA 3.36Å; Y310-V316 HydrophobicContact CE1-CB 4.19Å; Y310-V316 HydrophobicContact CE1-CG1 4.14Å; Q313-V316 HydrophobicContact CB-CG1 3.82Å; S314-V316 PolarHBondContact O-N 3.36Å; S314-V316 VanDerWaalsContact O-N 3.13Å; V316-K338 HydrophobicContact CG2-CD 3.65Å; V316-K338 HydrophobicContact CG2-CG 4.36Å; V316-K338 WeakPolarHBondContact O-CG 3.39Å
317	K	97.6	Very high	96.1	Very high	86 Å²	86	41.3 Å²	41.3	37%	0.374	23%	0.226	S	C	.	.			trans	-132	114.7	171.1	-62.6	-176.4	-172.7	174.2	0	109.8	Y227 T230 A231 K338 I340	Y227-K317 PolarHBondContact O-NZ 2.76Å; T230-K317 PolarHBondContact N-O 3.18Å; T230-K317 PolarHBondContact OG1-N 3.06Å; T230-K317 PolarHBondContact OG1-O 3.02Å; A231-K317 PolarHBondContact N-O 3.41Å; K317-K338 CarbonylContact C-O 3.48Å; K317-K338 VanDerWaalsContact CA-O 3.3Å; K317-K338 WeakPolarHBondContact CA-O 3.17Å; K317-I340 HydrophobicContact CB-CD1 3.78Å; K317-I340 HydrophobicContact CB-CG1 4.47Å; K317-I340 HydrophobicContact CD-CD1 3.99Å; K317-I340 HydrophobicContact CG-CD1 4.49Å
318	V	98.4	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.2	-176.9	-173.8	0	0	0	0	109.3	A231 L233 Y310 V311 I320 I333 K338 I340	A231-V318 HydrophobicContact CB-CG2 4.48Å; L233-V318 HydrophobicContact CB-CG1 3.88Å; Y310-V318 HydrophobicContact CD1-CG2 4.38Å; Y310-V318 HydrophobicContact CE1-CG2 4.15Å; V311-V318 HydrophobicContact CG1-CG2 4.01Å; V318-I320 HydrophobicContact CG1-CG2 4.12Å; V318-I333 HydrophobicContact CB-CD1 4.06Å; V318-I333 HydrophobicContact CB-CG2 4.12Å; V318-I333 HydrophobicContact CG1-CD1 3.81Å; V318-I333 HydrophobicContact CG2-CG2 4.32Å; V318-K338 PolarHBondContact N-O 3.24Å; V318-I340 PolarHBondContact O-N 3.49Å
319	W	98.6	Very high	96.1	Very high	22 Å²	22	37.5 Å²	37.5	8%	0.083	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.4	171.7	-170.6	10.2	0	0	0	110.5	M222 P229 A231 L232 L233 I340 S342 P346	M222-W319 HydrophobicContact CG-CE3 4.17Å; M222-W319 HydrophobicContact CG-CZ3 4.32Å; P229-W319 HydrophobicContact CB-CB 3.72Å; P229-W319 HydrophobicContact CG-CB 4.14Å; P229-W319 HydrophobicContact CG-CD2 4.32Å; P229-W319 HydrophobicContact CG-CE3 3.77Å; A231-W319 PolarHBondContact O-N 3.21Å; L232-W319 HydrophobicContact CD1-CB 4.13Å; L232-W319 HydrophobicContact CD1-CD2 4.18Å; L232-W319 HydrophobicContact CD1-CE3 4.27Å; L232-W319 HydrophobicContact CD1-CG 4.14Å; L233-W319 PolarHBondContact N-O 3.31Å; W319-I340 CarbonylContact C-O 3.21Å; W319-I340 VanDerWaalsContact CA-O 3.28Å; W319-I340 WeakPolarHBondContact CA-O 3.17Å; W319-I340 HydrophobicContact CB-CB 4.32Å; W319-I340 HydrophobicContact CB-CG2 4.4Å; W319-I340 HydrophobicContact CG-CG2 4.1Å; W319-S342 PolarHBondContact NE1-OG 3.24Å; W319-P346 HydrophobicContact CE3-CG 3.95Å; W319-P346 HydrophobicContact CH2-CB 3.67Å; W319-P346 HydrophobicContact CH2-CG 3.61Å; W319-P346 HydrophobicContact CZ2-CB 4.38Å; W319-P346 HydrophobicContact CZ2-CG 4.18Å; W319-P346 HydrophobicContact CZ3-CB 3.92Å; W319-P346 HydrophobicContact CZ3-CG 3.48Å; W319-P346 VanDerWaalsContact CZ3-CG 3.48Å
320	I	98.1	Very high	96.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.9	173.6	69	170.1	0	0	0	112	L159 L233 V318 T325 Y330 I333 L339 I340 T341 S342	L159-I320 HydrophobicContact CD2-CD1 4.22Å; L233-I320 HydrophobicContact CB-CG2 4.07Å; L233-I320 HydrophobicContact CD2-CG2 4.21Å; V318-I320 HydrophobicContact CG1-CG2 4.12Å; I320-T325 HydrophobicContact CB-CG2 4.15Å; I320-T325 HydrophobicContact CD1-CG2 4.1Å; I320-T325 HydrophobicContact CG2-CG2 4.22Å; I320-Y330 HydrophobicContact CD1-CD2 3.74Å; I320-I333 HydrophobicContact CG2-CD1 3.91Å; I320-L339 HydrophobicContact CD1-CD1 3.72Å; I320-L339 HydrophobicContact CG1-CD1 3.87Å; I320-I340 PolarHBondContact N-O 3.41Å; I320-T341 HydrophobicContact CD1-CG2 4.41Å; I320-T341 HydrophobicContact CG1-CG2 4.01Å; I320-S342 PolarHBondContact O-N 3.5Å
321	G	96.9	Very high	96.1	Very high	4 Å²	4	37.3 Å²	37.3	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.5	164.2	0	0	0	0	0	111.2	E323 T325 S342 S343	G321-E323 PolarHBondContact O-N 3.38Å; G321-T325 WeakPolarHBondContact O-CB 3.44Å; G321-T325 PolarHBondContact O-N 2.9Å; G321-T325 VanDerWaalsContact O-N 3.12Å; G321-T325 PolarHBondContact O-OG1 2.9Å; G321-S342 CarbonylContact C-O 3.55Å; G321-S342 VanDerWaalsContact CA-O 3.27Å; G321-S342 WeakPolarHBondContact CA-O 3.22Å; G321-S343 CarbonylContact C-O 3.46Å
322	T	96.1	Very high	96.1	Very high	18 Å²	18	37.9 Å²	37.9	11%	0.11	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-24.2	-173.2	63.3	0	0	0	0	114.6	L159 K160 T341 S342 S343	L159-T322 HydrophobicContact CD2-CG2 3.86Å; K160-T322 PolarHBondContact N-O 3.5Å; K160-T322 VanDerWaalsContact N-O 3.15Å; T322-T341 HydrophobicContact CG2-CG2 4.05Å; T322-S342 PolarHBondContact N-O 3.49Å; T322-S343 PolarHBondContact N-O 3.47Å; T322-S343 VanDerWaalsContact N-O 3.09Å; T322-S343 WeakPolarHBondContact OG1-CA 3.5Å
323	E	94.6	Very high	96.1	Very high	40 Å²	40	34.3 Å²	34.3	19%	0.187	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.6	-177	-63.2	-73.1	145.2	0	0	112.5	S158 G321 S343 Y344 N539	S158-E323 WeakPolarHBondContact CB-O 3.31Å; G321-E323 PolarHBondContact O-N 3.38Å; E323-S343 WeakPolarHBondContact CB-O 3.48Å; E323-S343 VanDerWaalsContact CG-O 3.26Å; E323-S343 WeakPolarHBondContact CG-O 3.33Å; E323-S343 PolarHBondContact N-O 3.43Å; E323-Y344 HydrophobicContact CB-CD1 3.93Å; E323-Y344 HydrophobicContact CB-CE1 3.52Å; E323-Y344 HydrophobicContact CG-CD1 4.09Å; E323-Y344 HydrophobicContact CG-CE1 3.54Å; E323-N539 PolarHBondContact OE2-ND2 3.16Å
324	Y	93.7	Very high	96.1	Very high	41 Å²	41	34.1 Å²	34.1	16%	0.161	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	7	-171.3	-74.4	-74.7	0	0	0	115.2	L74 S235 A236 Y344 L348 W532	L74-Y324 HydrophobicContact CB-CD1 4.15Å; S235-Y324 WeakPolarHBondContact CB-O 3.31Å; A236-Y324 HydrophobicContact CB-CG 4.49Å; Y324-Y344 AromaticContact CD2-CD1 4Å; Y324-Y344 HydrophobicContact CD2-CD1 4Å; Y324-Y344 AromaticContact CD2-CE1 3.96Å; Y324-Y344 HydrophobicContact CD2-CE1 3.96Å; Y324-Y344 HydrophobicContact CE2-CD1 4.21Å; Y324-Y344 AromaticContact CE2-CE1 3.76Å; Y324-Y344 HydrophobicContact CE2-CE1 3.76Å; Y324-L348 HydrophobicContact CD2-CD1 3.72Å; Y324-L348 HydrophobicContact CG-CD1 4.28Å; Y324-W532 HydrophobicContact CE2-CB 3.83Å; Y324-W532 HydrophobicContact CE2-CG 4.08Å; Y324-W532 AromaticContact CZ-CD1 3.94Å; Y324-W532 AromaticContact CZ-CG 3.86Å; Y324-W532 PolarHBondContact OH-NE1 2.82Å
325	T	96.6	Very high	96.3	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	17%	0.167	C	C	.	.	S	Bend	trans	-92.2	123.9	167.9	-56	0	0	0	0	109.5	S158 L159 L233 I320 G321	S158-T325 WeakPolarHBondContact CA-O 3.26Å; L159-T325 PolarHBondContact N-O 2.87Å; L233-T325 HydrophobicContact CD2-CG2 4.46Å; I320-T325 HydrophobicContact CB-CG2 4.15Å; I320-T325 HydrophobicContact CD1-CG2 4.1Å; I320-T325 HydrophobicContact CG2-CG2 4.22Å; G321-T325 WeakPolarHBondContact O-CB 3.44Å; G321-T325 PolarHBondContact O-N 2.9Å; G321-T325 VanDerWaalsContact O-N 3.12Å; G321-T325 PolarHBondContact O-OG1 2.9Å
326	N	97.4	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-67.8	149.9	177.3	68.6	54.4	0	0	0	111.9	A72 F155 F157 Y260 A328 L329 Y330	A72-N326 PolarHBondContact O-ND2 3.1Å; F155-N326 VanDerWaalsContact O-CB 3.31Å; F155-N326 WeakPolarHBondContact O-CB 3.25Å; F157-N326 CarbonylContact O-C 3.53Å; F157-N326 VanDerWaalsContact O-CA 3.23Å; F157-N326 WeakPolarHBondContact O-CA 3.28Å; Y260-N326 WeakPolarHBondContact CE1-ND2 3.24Å; Y260-N326 PolarHBondContact OH-ND2 3.05Å; N326-A328 PolarHBondContact O-N 3.03Å; N326-A328 WeakPolarHBondContact OD1-CB 3.49Å; N326-A328 PolarHBondContact OD1-N 3.43Å; N326-L329 PolarHBondContact O-N 3.46Å; N326-L329 WeakPolarHBondContact OD1-CG 3.4Å; N326-L329 PolarHBondContact OD1-N 3.46Å; N326-Y330 PolarHBondContact O-N 3.1Å
327	Y	97.9	Very high	96.4	Very high	43 Å²	43	39.3 Å²	39.3	17%	0.169	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-29.4	-177.3	-169.4	-95.6	0	0	0	111.7	F152 P154 F157 L159 Q162 L329 Y330 E331	F152-Y327 HydrophobicContact CE2-CD1 4.03Å; F152-Y327 HydrophobicContact CE2-CG 4.36Å; F152-Y327 AromaticContact CZ-CD1 3.81Å; F152-Y327 HydrophobicContact CZ-CD1 3.81Å; F152-Y327 HydrophobicContact CZ-CE1 4.05Å; F152-Y327 HydrophobicContact CZ-CG 4.42Å; P154-Y327 HydrophobicContact CB-CD1 3.88Å; P154-Y327 WeakPolarHBondContact O-CB 3.31Å; P154-Y327 PolarHBondContact O-N 2.73Å; P154-Y327 VanDerWaalsContact O-N 3.08Å; F157-Y327 PolarHBondContact O-N 2.96Å; L159-Y327 HydrophobicContact CD1-CD2 4.26Å; L159-Y327 HydrophobicContact CD1-CE2 4.32Å; Q162-Y327 HydrophobicContact CB-CD2 3.6Å; Q162-Y327 HydrophobicContact CB-CE2 4Å; Q162-Y327 HydrophobicContact CB-CG 4.17Å; Q162-Y327 HydrophobicContact CG-CD1 4.42Å; Q162-Y327 HydrophobicContact CG-CD2 3.53Å; Q162-Y327 HydrophobicContact CG-CE1 4.4Å; Q162-Y327 HydrophobicContact CG-CE2 3.49Å; Q162-Y327 VanDerWaalsContact CG-CE2 3.49Å; Q162-Y327 HydrophobicContact CG-CG 4.01Å; Q162-Y327 VanDerWaalsContact OE1-CE2 3.23Å; Y327-L329 VanDerWaalsContact C-N 3.3Å; Y327-L329 PolarHBondContact O-N 3.06Å; Y327-Y330 AromaticContact CD2-CD1 3.56Å; Y327-Y330 HydrophobicContact CD2-CD1 3.56Å; Y327-Y330 HydrophobicContact CD2-CE1 4.06Å; Y327-Y330 HydrophobicContact CD2-CG 4.49Å; Y327-Y330 AromaticContact CE2-CD1 3.43Å; Y327-Y330 HydrophobicContact CE2-CD1 3.43Å; Y327-Y330 VanDerWaalsContact CE2-CD1 3.43Å; Y327-Y330 AromaticContact CE2-CE1 3.48Å; Y327-Y330 HydrophobicContact CE2-CE1 3.48Å; Y327-Y330 VanDerWaalsContact CE2-CE1 3.48Å; Y327-Y330 HydrophobicContact CG-CD1 4.33Å; Y327-Y330 PolarHBondContact O-N 3.02Å; Y327-E331 HydrophobicContact CD1-CB 4.29Å; Y327-E331 HydrophobicContact CE1-CB 3.92Å; Y327-E331 WeakPolarHBondContact O-CB 3.38Å; Y327-E331 WeakPolarHBondContact O-CG 3.47Å; Y327-E331 PolarHBondContact O-N 2.87Å
328	A	97.9	Very high	96.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-34.3	178.9	0	0	0	0	0	113.4	P154 F155 R304 N326	P154-A328 HydrophobicContact CB-CB 3.88Å; P154-A328 HydrophobicContact CG-CB 3.93Å; P154-A328 PolarHBondContact O-N 3.35Å; F155-A328 HydrophobicContact CB-CB 4.39Å; F155-A328 HydrophobicContact CD1-CB 3.62Å; F155-A328 HydrophobicContact CD2-CB 3.75Å; F155-A328 HydrophobicContact CE1-CB 3.77Å; F155-A328 HydrophobicContact CE2-CB 3.9Å; F155-A328 HydrophobicContact CG-CB 3.64Å; F155-A328 HydrophobicContact CZ-CB 3.93Å; R304-A328 PolarHBondContact NH1-O 3.33Å; N326-A328 PolarHBondContact O-N 3.03Å; N326-A328 WeakPolarHBondContact OD1-CB 3.49Å; N326-A328 PolarHBondContact OD1-N 3.43Å
329	L	97.9	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-87.9	-35.8	174.7	-61.2	-176.7	0	0	0	111.9	L233 Y260 V303 R304 L307 N326 Y327 L332	L233-L329 HydrophobicContact CD1-CD1 4.27Å; L233-L329 HydrophobicContact CD2-CB 3.84Å; L233-L329 HydrophobicContact CD2-CD1 4.08Å; Y260-L329 HydrophobicContact CD1-CD1 3.55Å; Y260-L329 HydrophobicContact CE1-CD1 3.66Å; Y260-L329 HydrophobicContact CG-CD1 4.28Å; V303-L329 HydrophobicContact CG1-CD2 4.12Å; V303-L329 HydrophobicContact CG2-CD1 4.07Å; V303-L329 HydrophobicContact CG2-CD2 3.93Å; R304-L329 HydrophobicContact CG-CD2 3.87Å; L307-L329 HydrophobicContact CD2-CB 3.93Å; L307-L329 HydrophobicContact CD2-CD2 4.11Å; N326-L329 PolarHBondContact O-N 3.46Å; N326-L329 WeakPolarHBondContact OD1-CG 3.4Å; N326-L329 PolarHBondContact OD1-N 3.46Å; Y327-L329 VanDerWaalsContact C-N 3.3Å; Y327-L329 PolarHBondContact O-N 3.06Å; L329-L332 PolarHBondContact O-N 3.44Å
330	Y	97	Very high	96.2	Very high	37 Å²	37	37.6 Å²	37.6	15%	0.145	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-47.5	175.7	162.3	-94.8	0	0	0	112.7	L159 I320 N326 Y327 L332 I333 L339	L159-Y330 HydrophobicContact CD1-CD1 3.79Å; L159-Y330 HydrophobicContact CD1-CD2 3.94Å; L159-Y330 HydrophobicContact CD1-CE1 3.54Å; L159-Y330 HydrophobicContact CD1-CE2 3.63Å; L159-Y330 HydrophobicContact CD1-CG 3.98Å; L159-Y330 VanDerWaalsContact CD1-CZ 3.44Å; L159-Y330 HydrophobicContact CD2-CD2 3.69Å; L159-Y330 HydrophobicContact CD2-CE2 3.52Å; L159-Y330 HydrophobicContact CD2-CG 4.41Å; L159-Y330 HydrophobicContact CG-CD2 4.31Å; L159-Y330 HydrophobicContact CG-CE2 4.2Å; I320-Y330 HydrophobicContact CD1-CD2 3.74Å; N326-Y330 PolarHBondContact O-N 3.1Å; Y327-Y330 AromaticContact CD2-CD1 3.56Å; Y327-Y330 HydrophobicContact CD2-CD1 3.56Å; Y327-Y330 HydrophobicContact CD2-CE1 4.06Å; Y327-Y330 HydrophobicContact CD2-CG 4.49Å; Y327-Y330 AromaticContact CE2-CD1 3.43Å; Y327-Y330 HydrophobicContact CE2-CD1 3.43Å; Y327-Y330 VanDerWaalsContact CE2-CD1 3.43Å; Y327-Y330 AromaticContact CE2-CE1 3.48Å; Y327-Y330 HydrophobicContact CE2-CE1 3.48Å; Y327-Y330 VanDerWaalsContact CE2-CE1 3.48Å; Y327-Y330 HydrophobicContact CG-CD1 4.33Å; Y327-Y330 PolarHBondContact O-N 3.02Å; Y330-L332 PolarHBondContact O-N 2.71Å; Y330-I333 PolarHBondContact O-N 3.27Å; Y330-L339 HydrophobicContact CD2-CD1 4.21Å; Y330-L339 HydrophobicContact CD2-CD2 4.16Å; Y330-L339 HydrophobicContact CE2-CD1 4.35Å; Y330-L339 HydrophobicContact CE2-CD2 3.47Å; Y330-L339 VanDerWaalsContact CE2-CD2 3.47Å
331	E	95.9	Very high	96.2	Very high	55 Å²	55	41.1 Å²	41.1	26%	0.257	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.6	-175	69.8	-178.8	-176.1	0	0	113.2	S178 R304 Y327	S178-E331 PolarHBondContact OG-OE2 3.43Å; R304-E331 IonicContact CZ-OE1 2.79Å; R304-E331 IonicContact NH1-OE1 3.41Å; R304-E331 PolarHBondContact NH1-OE1 3.22Å; R304-E331 IonicContact NH2-OE1 3.99Å; R304-E331 PolarHBondContact NH2-OE1 2.85Å; Y327-E331 HydrophobicContact CD1-CB 4.29Å; Y327-E331 HydrophobicContact CE1-CB 3.92Å; Y327-E331 WeakPolarHBondContact O-CB 3.38Å; Y327-E331 WeakPolarHBondContact O-CG 3.47Å; Y327-E331 PolarHBondContact O-N 2.87Å
332	L	96.8	Very high	96.1	Very high	20 Å²	20	42.7 Å²	42.7	11%	0.105	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-17	177.6	-56.3	177.5	0	0	0	113.1	R304 L307 M308 V311 L329 Y330 T334	R304-L332 HydrophobicContact CB-CD1 3.94Å; R304-L332 HydrophobicContact CG-CD1 3.98Å; L307-L332 HydrophobicContact CD2-CB 4.4Å; L307-L332 HydrophobicContact CD2-CD1 4.28Å; M308-L332 HydrophobicContact CG-CB 4.44Å; M308-L332 HydrophobicContact CG-CD1 4Å; M308-L332 HydrophobicContact CG-CD2 3.85Å; M308-L332 HydrophobicContact CG-CG 4.32Å; M308-L332 HydrophobicContact SD-CD2 4.05Å; V311-L332 VanDerWaalsContact CG2-O 3.25Å; V311-L332 WeakPolarHBondContact CG2-O 3.38Å; L329-L332 PolarHBondContact O-N 3.44Å; Y330-L332 PolarHBondContact O-N 2.71Å; L332-T334 PolarHBondContact O-N 2.87Å; L332-T334 VanDerWaalsContact O-N 3.08Å
333	I	97.1	Very high	96.1	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	24%	0.237	C	C	.	.	S	Bend	trans	-86.2	80.4	-175.8	-52.4	169.4	0	0	0	108.9	L233 V311 V318 I320 Y330 K338 L339	L233-I333 HydrophobicContact CD2-CD1 4.49Å; V311-I333 HydrophobicContact CG1-CG1 4.36Å; V318-I333 HydrophobicContact CB-CD1 4.06Å; V318-I333 HydrophobicContact CB-CG2 4.12Å; V318-I333 HydrophobicContact CG1-CD1 3.81Å; V318-I333 HydrophobicContact CG2-CG2 4.32Å; I320-I333 HydrophobicContact CG2-CD1 3.91Å; Y330-I333 PolarHBondContact O-N 3.27Å; I333-K338 HydrophobicContact CG2-CB 4.16Å; I333-L339 HydrophobicContact CB-CD1 4.35Å; I333-L339 HydrophobicContact CD1-CD1 3.98Å; I333-L339 HydrophobicContact CG2-CB 4.14Å; I333-L339 HydrophobicContact CG2-CD1 4.06Å
334	T	93.4	Very high	96.2	Very high	94 Å²	94	43.8 Å²	43.8	58%	0.577	23%	0.23	S	C	*	.			trans	-127.8	144.9	-177.6	177.1	0	0	0	0	111.6	L332	L332-T334 PolarHBondContact O-N 2.87Å; L332-T334 VanDerWaalsContact O-N 3.08Å
335	P	94.7	Very high	96.4	Very high	65 Å²	65	41.9 Å²	41.9	42%	0.422	22%	0.223	S	C	.	.	S	Bend	cis	-70.8	167.9	-1.9	32.1	-37.7	0	0	0	113	E337 K338	P335-E337 PolarHBondContact O-N 2.84Å; P335-K338 HydrophobicContact CG-CG 4.44Å; P335-K338 WeakPolarHBondContact O-CB 3.24Å; P335-K338 PolarHBondContact O-N 3.37Å
336	Q	92.9	Very high	96.4	Very high	120 Å²	120	41.9 Å²	41.9	56%	0.561	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-50.8	-29.3	-177.4	-170.1	66.1	13.5	0	0	113.9	K338 L339	Q336-K338 PolarHBondContact O-N 3.44Å; Q336-L339 WeakPolarHBondContact O-CB 3.31Å; Q336-L339 PolarHBondContact O-N 3.5Å
337	E	94.4	Very high	96.4	Very high	171 Å²	171	41.9 Å²	41.9	80%	0.799	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-63	-20.5	177.8	-63.2	173.3	-169.7	0	0	113.9	P335 L339	P335-E337 PolarHBondContact O-N 2.84Å; E337-L339 VanDerWaalsContact C-N 3.27Å
338	K	96.9	Very high	96.4	Very high	34 Å²	34	40 Å²	40	15%	0.148	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-80.7	-7.5	175.2	-62.4	-170.4	171.8	-170.9	0	112.8	V311 Q313 V316 K317 V318 I333 P335 Q336	V311-K338 PolarHBondContact O-NZ 2.81Å; Q313-K338 PolarHBondContact O-NZ 3.24Å; V316-K338 HydrophobicContact CG2-CD 3.65Å; V316-K338 HydrophobicContact CG2-CG 4.36Å; V316-K338 WeakPolarHBondContact O-CG 3.39Å; K317-K338 CarbonylContact C-O 3.48Å; K317-K338 VanDerWaalsContact CA-O 3.3Å; K317-K338 WeakPolarHBondContact CA-O 3.17Å; V318-K338 PolarHBondContact N-O 3.24Å; I333-K338 HydrophobicContact CG2-CB 4.16Å; P335-K338 HydrophobicContact CG-CG 4.44Å; P335-K338 WeakPolarHBondContact O-CB 3.24Å; P335-K338 PolarHBondContact O-N 3.37Å; Q336-K338 PolarHBondContact O-N 3.44Å
339	L	97.1	Very high	96.3	Very high	23 Å²	23	42 Å²	42	12%	0.12	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132	-175.8	-176.7	74.3	0	0	0	111.4	I320 Y330 I333 Q336 E337 T341	I320-L339 HydrophobicContact CD1-CD1 3.72Å; I320-L339 HydrophobicContact CG1-CD1 3.87Å; Y330-L339 HydrophobicContact CD2-CD1 4.21Å; Y330-L339 HydrophobicContact CD2-CD2 4.16Å; Y330-L339 HydrophobicContact CE2-CD1 4.35Å; Y330-L339 HydrophobicContact CE2-CD2 3.47Å; Y330-L339 VanDerWaalsContact CE2-CD2 3.47Å; I333-L339 HydrophobicContact CB-CD1 4.35Å; I333-L339 HydrophobicContact CD1-CD1 3.98Å; I333-L339 HydrophobicContact CG2-CB 4.14Å; I333-L339 HydrophobicContact CG2-CD1 4.06Å; Q336-L339 WeakPolarHBondContact O-CB 3.31Å; Q336-L339 PolarHBondContact O-N 3.5Å; E337-L339 VanDerWaalsContact C-N 3.27Å; L339-T341 HydrophobicContact CD1-CG2 4.16Å; L339-T341 HydrophobicContact CD2-CG2 3.65Å; L339-T341 HydrophobicContact CG-CG2 3.75Å
340	I	97.4	Very high	96.3	Very high	15 Å²	15	43 Å²	43	8%	0.077	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.2	166.5	-64.4	167.3	0	0	0	107.7	P229 K317 V318 W319 I320	P229-I340 HydrophobicContact CB-CD1 3.71Å; P229-I340 HydrophobicContact CG-CD1 4.39Å; K317-I340 HydrophobicContact CB-CD1 3.78Å; K317-I340 HydrophobicContact CB-CG1 4.47Å; K317-I340 HydrophobicContact CD-CD1 3.99Å; K317-I340 HydrophobicContact CG-CD1 4.49Å; V318-I340 PolarHBondContact O-N 3.49Å; W319-I340 CarbonylContact C-O 3.21Å; W319-I340 VanDerWaalsContact CA-O 3.28Å; W319-I340 WeakPolarHBondContact CA-O 3.17Å; W319-I340 HydrophobicContact CB-CB 4.32Å; W319-I340 HydrophobicContact CB-CG2 4.4Å; W319-I340 HydrophobicContact CG-CG2 4.1Å; I320-I340 PolarHBondContact N-O 3.41Å
341	T	96.8	Very high	96.3	Very high	75 Å²	75	41.2 Å²	41.2	46%	0.46	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.8	-177.4	60	0	0	0	0	112.7	L159 I320 T322 L339	L159-T341 HydrophobicContact CD2-CG2 4.46Å; I320-T341 HydrophobicContact CD1-CG2 4.41Å; I320-T341 HydrophobicContact CG1-CG2 4.01Å; T322-T341 HydrophobicContact CG2-CG2 4.05Å; L339-T341 HydrophobicContact CD1-CG2 4.16Å; L339-T341 HydrophobicContact CD2-CG2 3.65Å; L339-T341 HydrophobicContact CG-CG2 3.75Å
342	S	96.4	Very high	96.3	Very high	37 Å²	37	38.6 Å²	38.6	26%	0.259	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	164	160.7	49.7	0	0	0	0	108.1	W319 I320 G321 T322 Y344	W319-S342 PolarHBondContact NE1-OG 3.24Å; I320-S342 PolarHBondContact O-N 3.5Å; G321-S342 CarbonylContact C-O 3.55Å; G321-S342 VanDerWaalsContact CA-O 3.27Å; G321-S342 WeakPolarHBondContact CA-O 3.22Å; T322-S342 PolarHBondContact N-O 3.49Å; S342-Y344 VanDerWaalsContact C-N 3.29Å; S342-Y344 WeakPolarHBondContact CB-O 3.42Å; S342-Y344 PolarHBondContact O-N 3.27Å; S342-Y344 PolarHBondContact OG-O 3.13Å
343	S	94.9	Very high	96.4	Very high	69 Å²	69	39.7 Å²	39.7	48%	0.483	22%	0.223	S	C	.	.	S	Bend	trans	-56.8	-46.8	178.1	-55.3	0	0	0	0	111.7	G321 T322 E323	G321-S343 CarbonylContact C-O 3.46Å; T322-S343 PolarHBondContact N-O 3.47Å; T322-S343 VanDerWaalsContact N-O 3.09Å; T322-S343 WeakPolarHBondContact OG1-CA 3.5Å; E323-S343 WeakPolarHBondContact CB-O 3.48Å; E323-S343 VanDerWaalsContact CG-O 3.26Å; E323-S343 WeakPolarHBondContact CG-O 3.33Å; E323-S343 PolarHBondContact N-O 3.43Å
344	Y	96.9	Very high	96.4	Very high	11 Å²	11	39.8 Å²	39.8	4%	0.043	22%	0.223	C	C	.	.	S	Bend	trans	-124.3	154.4	177	-56.6	-70.2	0	0	0	110.4	E323 Y324 S342 L348 P533 N539 I541	E323-Y344 HydrophobicContact CB-CD1 3.93Å; E323-Y344 HydrophobicContact CB-CE1 3.52Å; E323-Y344 HydrophobicContact CG-CD1 4.09Å; E323-Y344 HydrophobicContact CG-CE1 3.54Å; Y324-Y344 AromaticContact CD2-CD1 4Å; Y324-Y344 HydrophobicContact CD2-CD1 4Å; Y324-Y344 AromaticContact CD2-CE1 3.96Å; Y324-Y344 HydrophobicContact CD2-CE1 3.96Å; Y324-Y344 HydrophobicContact CE2-CD1 4.21Å; Y324-Y344 AromaticContact CE2-CE1 3.76Å; Y324-Y344 HydrophobicContact CE2-CE1 3.76Å; S342-Y344 VanDerWaalsContact C-N 3.29Å; S342-Y344 WeakPolarHBondContact CB-O 3.42Å; S342-Y344 PolarHBondContact O-N 3.27Å; S342-Y344 PolarHBondContact OG-O 3.13Å; Y344-L348 HydrophobicContact CD1-CD1 3.93Å; Y344-P533 HydrophobicContact CD1-CB 3.95Å; Y344-P533 HydrophobicContact CD1-CG 4.42Å; Y344-P533 HydrophobicContact CD2-CB 3.54Å; Y344-P533 HydrophobicContact CD2-CG 3.83Å; Y344-P533 HydrophobicContact CE1-CB 3.74Å; Y344-P533 HydrophobicContact CE2-CB 3.31Å; Y344-P533 HydrophobicContact CE2-CG 4.11Å; Y344-P533 HydrophobicContact CG-CB 3.85Å; Y344-P533 HydrophobicContact CG-CG 3.99Å; Y344-P533 VanDerWaalsContact CZ-CB 3.41Å; Y344-N539 VanDerWaalsContact CE2-O 3.25Å; Y344-N539 WeakPolarHBondContact CE2-O 3.25Å; Y344-N539 PolarHBondContact OH-ND2 2.82Å; Y344-N539 PolarHBondContact OH-O 3.26Å; Y344-I541 HydrophobicContact CD2-CG2 3.84Å; Y344-I541 HydrophobicContact CE2-CG2 4.03Å
345	S	97	Very high	96.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	20%	0.2	C	C	.	.			trans	-68	162.7	175.4	89.5	0	0	0	0	111.5	E239 V347 L348 T349	E239-S345 WeakPolarHBondContact OE1-CB 3.19Å; E239-S345 PolarHBondContact OE1-OG 3.32Å; S345-V347 PolarHBondContact O-N 2.84Å; S345-V347 WeakPolarHBondContact OG-CB 3.46Å; S345-V347 PolarHBondContact OG-N 2.79Å; S345-L348 PolarHBondContact O-N 3.37Å; S345-L348 PolarHBondContact OG-N 3.38Å; S345-L348 VanDerWaalsContact OG-N 3.1Å; S345-T349 PolarHBondContact O-N 3.28Å; S345-T349 PolarHBondContact O-OG1 3.43Å; S345-T349 VanDerWaalsContact O-OG1 3.05Å
346	P	97.5	Very high	96.6	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-23.5	170.1	28.4	-37.1	0	0	0	112.4	I218 L221 L232 W319 T349 T350	I218-P346 HydrophobicContact CD1-CB 4.23Å; I218-P346 HydrophobicContact CG2-CG 4.13Å; L221-P346 HydrophobicContact CB-CB 4.38Å; L221-P346 HydrophobicContact CD1-CB 3.75Å; L232-P346 HydrophobicContact CD1-CG 4.01Å; L232-P346 HydrophobicContact CD2-CG 3.53Å; L232-P346 HydrophobicContact CG-CG 4.43Å; W319-P346 HydrophobicContact CE3-CG 3.95Å; W319-P346 HydrophobicContact CH2-CB 3.67Å; W319-P346 HydrophobicContact CH2-CG 3.61Å; W319-P346 HydrophobicContact CZ2-CB 4.38Å; W319-P346 HydrophobicContact CZ2-CG 4.18Å; W319-P346 HydrophobicContact CZ3-CB 3.92Å; W319-P346 HydrophobicContact CZ3-CG 3.48Å; W319-P346 VanDerWaalsContact CZ3-CG 3.48Å; P346-T349 WeakPolarHBondContact CA-OG1 3.42Å; P346-T349 PolarHBondContact O-OG1 3.46Å; P346-T350 WeakPolarHBondContact O-CB 3.26Å; P346-T350 PolarHBondContact O-N 3.36Å; P346-T350 PolarHBondContact O-OG1 3.28Å
347	V	98.1	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-73	-51.4	178.1	175.6	0	0	0	0	110.7	I218 L232 L234 E239 W242 S345 T349 T350 K351	I218-V347 HydrophobicContact CD1-CB 4.48Å; I218-V347 HydrophobicContact CD1-CG2 3.74Å; I218-V347 HydrophobicContact CG1-CG2 3.87Å; I218-V347 HydrophobicContact CG2-CG2 4.22Å; L232-V347 HydrophobicContact CD2-CG2 4.09Å; L234-V347 HydrophobicContact CD1-CB 4.47Å; L234-V347 HydrophobicContact CD1-CG2 3.85Å; L234-V347 HydrophobicContact CD2-CB 4.22Å; L234-V347 HydrophobicContact CD2-CG2 3.96Å; E239-V347 HydrophobicContact CB-CB 4.31Å; E239-V347 HydrophobicContact CB-CG1 3.76Å; E239-V347 HydrophobicContact CG-CB 4.4Å; E239-V347 HydrophobicContact CG-CG1 4.13Å; W242-V347 HydrophobicContact CE3-CG1 3.69Å; W242-V347 HydrophobicContact CZ3-CG1 4.1Å; S345-V347 PolarHBondContact O-N 2.84Å; S345-V347 WeakPolarHBondContact OG-CB 3.46Å; S345-V347 PolarHBondContact OG-N 2.79Å; V347-T349 VanDerWaalsContact C-N 3.3Å; V347-T349 PolarHBondContact O-N 3.05Å; V347-T350 PolarHBondContact O-N 2.95Å; V347-K351 WeakPolarHBondContact O-CG 3.38Å; V347-K351 PolarHBondContact O-N 3.04Å
348	L	96.5	Very high	96.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-55.2	-46.1	176.7	-83.5	171.9	0	0	0	111.7	E239 Y324 Y344 S345 K351 A352	E239-L348 HydrophobicContact CG-CD1 4.39Å; E239-L348 HydrophobicContact CG-CD2 3.9Å; E239-L348 HydrophobicContact CG-CG 3.66Å; E239-L348 WeakPolarHBondContact OE1-CG 3.42Å; Y324-L348 HydrophobicContact CD2-CD1 3.72Å; Y324-L348 HydrophobicContact CG-CD1 4.28Å; Y344-L348 HydrophobicContact CD1-CD1 3.93Å; S345-L348 PolarHBondContact O-N 3.37Å; S345-L348 PolarHBondContact OG-N 3.38Å; S345-L348 VanDerWaalsContact OG-N 3.1Å; L348-K351 WeakPolarHBondContact O-CG 3.43Å; L348-A352 PolarHBondContact O-N 2.91Å
349	T	96.9	Very high	97	Very high	43 Å²	43	29.5 Å²	29.5	26%	0.264	17%	0.166	S	C	.	.	H	α-helix	trans	-72	-29.5	-178.9	53.9	0	0	0	0	113.3	S345 P346 V347 P533 I541	S345-T349 PolarHBondContact O-N 3.28Å; S345-T349 PolarHBondContact O-OG1 3.43Å; S345-T349 VanDerWaalsContact O-OG1 3.05Å; P346-T349 WeakPolarHBondContact CA-OG1 3.42Å; P346-T349 PolarHBondContact O-OG1 3.46Å; V347-T349 VanDerWaalsContact C-N 3.3Å; V347-T349 PolarHBondContact O-N 3.05Å; T349-P533 HydrophobicContact CG2-CG 4.48Å; T349-I541 HydrophobicContact CG2-CD1 4.44Å
350	T	97.4	Very high	97	Very high	20 Å²	20	33.8 Å²	33.8	12%	0.123	18%	0.18	C	C	.	.	H	α-helix	trans	-76.3	-44.2	176.9	-61	0	0	0	0	111.7	W242 P346 V347 A352 V353	W242-T350 HydrophobicContact CH2-CG2 3.7Å; W242-T350 HydrophobicContact CZ2-CG2 4.17Å; P346-T350 WeakPolarHBondContact O-CB 3.26Å; P346-T350 PolarHBondContact O-N 3.36Å; P346-T350 PolarHBondContact O-OG1 3.28Å; V347-T350 PolarHBondContact O-N 2.95Å; T350-A352 VanDerWaalsContact C-N 3.26Å; T350-A352 PolarHBondContact O-N 3.23Å; T350-V353 PolarHBondContact O-N 3.42Å
351	K	96.8	Very high	97	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-68.9	-24.2	-179.5	74.9	176	177.4	71.4	0	113.7	D238 W242 V347 L348 V353 K354 F527 E531	D238-K351 WeakPolarHBondContact OD2-CE 3.4Å; D238-K351 IonicContact OD2-NZ 3.8Å; D238-K351 PolarHBondContact OD2-NZ 3.38Å; W242-K351 HydrophobicContact CB-CB 4.48Å; W242-K351 HydrophobicContact CB-CD 4.03Å; W242-K351 HydrophobicContact CD2-CB 3.61Å; W242-K351 VanDerWaalsContact CE2-CB 3.49Å; W242-K351 HydrophobicContact CE3-CB 4.32Å; W242-K351 HydrophobicContact CG-CB 3.66Å; W242-K351 HydrophobicContact CG-CD 4.09Å; W242-K351 HydrophobicContact CZ2-CB 4.11Å; V347-K351 WeakPolarHBondContact O-CG 3.38Å; V347-K351 PolarHBondContact O-N 3.04Å; L348-K351 WeakPolarHBondContact O-CG 3.43Å; K351-V353 PolarHBondContact O-N 3.49Å; K351-K354 PolarHBondContact O-NZ 2.98Å; K351-F527 HydrophobicContact CD-CE1 4.14Å; K351-E531 VanDerWaalsContact NZ-CD 3.33Å; K351-E531 VanDerWaalsContact NZ-CG 3.26Å; K351-E531 IonicContact NZ-OE2 3.24Å; K351-E531 PolarHBondContact NZ-OE2 3.34Å
352	A	97.4	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.6	176.5	0	0	0	0	0	112.3	L348 T350 K354 V534 M547	L348-A352 PolarHBondContact O-N 2.91Å; T350-A352 VanDerWaalsContact C-N 3.26Å; T350-A352 PolarHBondContact O-N 3.23Å; A352-K354 PolarHBondContact O-NZ 3.29Å; A352-V534 HydrophobicContact CB-CG2 3.76Å; A352-M547 HydrophobicContact CB-CE 4.08Å
353	V	97.8	Very high	97.2	Very high	43 Å²	43	31.3 Å²	31.3	26%	0.261	16%	0.156	S	C	.	.	S	Bend	trans	-93	111.9	175.2	-179.5	0	0	0	0	109.3	T350 K351 K544 A545 M547	T350-V353 PolarHBondContact O-N 3.42Å; K351-V353 PolarHBondContact O-N 3.49Å; V353-K544 HydrophobicContact CG2-CB 4.14Å; V353-K544 HydrophobicContact CG2-CD 4.16Å; V353-A545 WeakPolarHBondContact CG1-O 3.35Å; V353-M547 HydrophobicContact CG2-CE 3.79Å; V353-M547 HydrophobicContact CG2-CG 4.15Å
354	K	97.8	Very high	97.3	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.03	15%	0.15	C	C	.	.			trans	-74.3	139.7	179.7	-56.7	-55.6	175.3	-82	0	110.2	K351 A352 E358 E359 E531 G546 F548	K351-K354 PolarHBondContact O-NZ 2.98Å; A352-K354 PolarHBondContact O-NZ 3.29Å; K354-E358 WeakPolarHBondContact CA-OE2 3.38Å; K354-E358 HydrophobicContact CB-CB 3.78Å; K354-E358 HydrophobicContact CD-CB 4.21Å; K354-E358 HydrophobicContact CG-CB 4.4Å; K354-E359 HydrophobicContact CB-CG 3.86Å; K354-E531 IonicContact NZ-OE1 3.96Å; K354-E531 PolarHBondContact NZ-OE1 2.92Å; K354-G546 WeakPolarHBondContact CB-O 3.42Å; K354-G546 WeakPolarHBondContact CG-O 3.39Å; K354-G546 PolarHBondContact N-O 3.21Å; K354-F548 HydrophobicContact CB-CD2 4.45Å; K354-F548 HydrophobicContact CB-CE2 4.4Å; K354-F548 HydrophobicContact CG-CD2 3.84Å; K354-F548 HydrophobicContact CG-CE2 4.22Å
355	D	96.4	Very high	97.4	Very high	21 Å²	21	31.1 Å²	31.1	11%	0.112	15%	0.148	C	C	.	.			trans	-77.9	169.5	170.3	62.7	48.8	0	0	0	111.8	Q208 R209 T357 E358 E359	Q208-D355 PolarHBondContact OE1-OD1 3.05Å; R209-D355 IonicContact CZ-OD2 3.43Å; R209-D355 IonicContact NE-OD2 3.1Å; R209-D355 PolarHBondContact NE-OD2 3.33Å; R209-D355 IonicContact NH2-OD2 3.53Å; R209-D355 PolarHBondContact NH2-OD2 3.23Å; D355-T357 PolarHBondContact O-N 3.27Å; D355-T357 VanDerWaalsContact O-N 3.13Å; D355-T357 WeakPolarHBondContact OD1-CB 3.21Å; D355-T357 PolarHBondContact OD1-N 3.43Å; D355-E358 PolarHBondContact N-OE2 3.16Å; D355-E358 PolarHBondContact O-N 2.86Å; D355-E358 WeakPolarHBondContact OD1-CG 3.48Å; D355-E358 PolarHBondContact OD1-N 2.89Å; D355-E359 WeakPolarHBondContact O-CG 3.21Å; D355-E359 PolarHBondContact O-N 3.47Å
356	E	96.1	Very high	97.5	Very high	158 Å²	158	31.3 Å²	31.3	74%	0.738	15%	0.149	S	C	*	.	H	α-helix	trans	-56.1	-34	-175.1	-64.5	179.6	174	0	0	112.9	R360	E356-R360 WeakPolarHBondContact O-CB 3.37Å; E356-R360 PolarHBondContact O-N 2.64Å; E356-R360 VanDerWaalsContact O-N 3.14Å
357	T	96.3	Very high	97.5	Very high	28 Å²	28	32.3 Å²	32.3	17%	0.172	15%	0.154	C	C	.	.	H	α-helix	trans	-70.5	-49	176.1	-61	0	0	0	0	110.7	Q208 D355 R360 I361	Q208-T357 VanDerWaalsContact OE1-N 3.1Å; Q208-T357 PolarHBondContact OE1-OG1 3.26Å; D355-T357 PolarHBondContact O-N 3.27Å; D355-T357 VanDerWaalsContact O-N 3.13Å; D355-T357 WeakPolarHBondContact OD1-CB 3.21Å; D355-T357 PolarHBondContact OD1-N 3.43Å; T357-R360 PolarHBondContact O-N 3.49Å; T357-I361 HydrophobicContact CG2-CD1 4.48Å; T357-I361 VanDerWaalsContact O-CG1 3.28Å; T357-I361 WeakPolarHBondContact O-CG1 3.4Å; T357-I361 PolarHBondContact O-N 3.09Å
358	E	97.1	Very high	97.6	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-57.6	-46.7	176.6	-66.8	174.6	131.2	0	0	111.2	R209 K354 D355 R360 I361 L362 N525	R209-E358 IonicContact NH2-OE2 3.38Å; R209-E358 PolarHBondContact NH2-OE2 3.03Å; K354-E358 WeakPolarHBondContact CA-OE2 3.38Å; K354-E358 HydrophobicContact CB-CB 3.78Å; K354-E358 HydrophobicContact CD-CB 4.21Å; K354-E358 HydrophobicContact CG-CB 4.4Å; D355-E358 PolarHBondContact N-OE2 3.16Å; D355-E358 PolarHBondContact O-N 2.86Å; D355-E358 WeakPolarHBondContact OD1-CG 3.48Å; D355-E358 PolarHBondContact OD1-N 2.89Å; E358-R360 PolarHBondContact O-N 2.87Å; E358-I361 WeakPolarHBondContact O-CG1 3.28Å; E358-I361 PolarHBondContact O-N 2.89Å; E358-L362 WeakPolarHBondContact O-CB 3.35Å; E358-L362 VanDerWaalsContact O-CD1 3.26Å; E358-L362 WeakPolarHBondContact O-CD1 3.36Å; E358-L362 PolarHBondContact O-N 3.15Å; E358-N525 WeakPolarHBondContact CG-ND2 3.37Å
359	E	97.9	Very high	97.7	Very high	49 Å²	49	33.3 Å²	33.3	23%	0.229	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-46.5	177.6	-66	-162.1	-151.2	0	0	112.3	K354 D355 R363 G546 F548	K354-E359 HydrophobicContact CB-CG 3.86Å; D355-E359 WeakPolarHBondContact O-CG 3.21Å; D355-E359 PolarHBondContact O-N 3.47Å; E359-R363 VanDerWaalsContact O-CG 3.29Å; E359-R363 WeakPolarHBondContact O-CG 3.5Å; E359-R363 PolarHBondContact O-N 3.28Å; E359-G546 WeakPolarHBondContact OE1-CA 3.18Å; E359-F548 HydrophobicContact CB-CE2 4.28Å; E359-F548 HydrophobicContact CG-CE2 4.05Å
360	R	97.9	Very high	97.8	Very high	112 Å²	112	31.4 Å²	31.4	42%	0.423	15%	0.147	S	C	.	.	H	α-helix	trans	-62.1	-50.6	-179.2	179.7	-175.1	57.9	72.2	5.3	111.1	E356 T357 E358 R363 E364	E356-R360 WeakPolarHBondContact O-CB 3.37Å; E356-R360 PolarHBondContact O-N 2.64Å; E356-R360 VanDerWaalsContact O-N 3.14Å; T357-R360 PolarHBondContact O-N 3.49Å; E358-R360 PolarHBondContact O-N 2.87Å; R360-R363 PolarHBondContact O-N 3.33Å; R360-E364 WeakPolarHBondContact CG-OE1 3.41Å; R360-E364 IonicContact CZ-OE1 3.66Å; R360-E364 IonicContact NH1-OE1 3.8Å; R360-E364 PolarHBondContact NH1-OE1 3.01Å; R360-E364 IonicContact NH1-OE2 2.61Å; R360-E364 PolarHBondContact NH1-OE2 2.82Å; R360-E364 WeakPolarHBondContact O-CG 3.4Å; R360-E364 PolarHBondContact O-N 2.89Å; R360-E364 VanDerWaalsContact O-N 3.08Å
361	I	97.6	Very high	97.8	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-70.6	-33.6	-175.4	65.3	-173.3	0	0	0	112.5	V206 T357 E358 R363 E364 A365 D454	V206-I361 HydrophobicContact CB-CD1 3.83Å; V206-I361 HydrophobicContact CG1-CD1 4.48Å; V206-I361 WeakPolarHBondContact O-CD1 3.33Å; T357-I361 HydrophobicContact CG2-CD1 4.48Å; T357-I361 VanDerWaalsContact O-CG1 3.28Å; T357-I361 WeakPolarHBondContact O-CG1 3.4Å; T357-I361 PolarHBondContact O-N 3.09Å; E358-I361 WeakPolarHBondContact O-CG1 3.28Å; E358-I361 PolarHBondContact O-N 2.89Å; I361-R363 VanDerWaalsContact C-N 3.32Å; I361-R363 PolarHBondContact O-N 2.92Å; I361-E364 PolarHBondContact O-N 2.99Å; I361-A365 PolarHBondContact O-N 3.44Å; I361-D454 CarbonylContact C-O 3.19Å; I361-D454 HydrophobicContact CB-CB 3.98Å; I361-D454 HydrophobicContact CD1-CB 4.04Å; I361-D454 HydrophobicContact CG1-CB 4.25Å; I361-D454 VanDerWaalsContact CG1-O 3.31Å; I361-D454 WeakPolarHBondContact CG1-O 3.5Å
362	L	97.8	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-44.9	172.3	-101.1	64	0	0	0	111.4	E358 E364 A365 H366 N525 F548	E358-L362 WeakPolarHBondContact O-CB 3.35Å; E358-L362 VanDerWaalsContact O-CD1 3.26Å; E358-L362 WeakPolarHBondContact O-CD1 3.36Å; E358-L362 PolarHBondContact O-N 3.15Å; L362-E364 VanDerWaalsContact C-N 3.34Å; L362-E364 PolarHBondContact O-N 2.79Å; L362-A365 PolarHBondContact O-N 3.47Å; L362-H366 PolarHBondContact O-N 2.85Å; L362-H366 PolarHBondContact O-ND1 2.66Å; L362-N525 HydrophobicContact CD1-CB 3.38Å; L362-N525 WeakPolarHBondContact CD1-OD1 3.44Å; L362-N525 HydrophobicContact CD2-CB 4.48Å; L362-F548 HydrophobicContact CB-CD1 4.43Å; L362-F548 HydrophobicContact CB-CE1 3.7Å; L362-F548 HydrophobicContact CB-CE2 4.47Å; L362-F548 HydrophobicContact CB-CZ 3.73Å; L362-F548 HydrophobicContact CD2-CB 4.5Å; L362-F548 HydrophobicContact CD2-CD1 3.71Å; L362-F548 HydrophobicContact CD2-CD2 3.95Å; L362-F548 HydrophobicContact CD2-CE1 3.79Å; L362-F548 HydrophobicContact CD2-CE2 4.03Å; L362-F548 HydrophobicContact CD2-CG 3.79Å; L362-F548 HydrophobicContact CD2-CZ 3.96Å; L362-F548 HydrophobicContact CG-CE1 4.32Å; L362-F548 HydrophobicContact CG-CZ 4.48Å
363	R	98.6	Very high	98	Very high	71 Å²	71	30.5 Å²	30.5	27%	0.268	14%	0.142	S	C	.	.	H	α-helix	trans	-62.2	-42.8	176.3	-68.8	168.1	177.8	-89.2	18.2	111.6	E359 R360 I361 A365 H366 V367 F548 D586 V588	E359-R363 VanDerWaalsContact O-CG 3.29Å; E359-R363 WeakPolarHBondContact O-CG 3.5Å; E359-R363 PolarHBondContact O-N 3.28Å; R360-R363 PolarHBondContact O-N 3.33Å; I361-R363 VanDerWaalsContact C-N 3.32Å; I361-R363 PolarHBondContact O-N 2.92Å; R363-A365 VanDerWaalsContact C-N 3.32Å; R363-A365 PolarHBondContact O-N 2.89Å; R363-H366 PolarHBondContact O-N 3.26Å; R363-V367 WeakPolarHBondContact O-CG2 3.21Å; R363-V367 PolarHBondContact O-N 3.49Å; R363-V367 VanDerWaalsContact O-N 3.09Å; R363-F548 HydrophobicContact CG-CZ 4.43Å; R363-D586 IonicContact CZ-OD2 3.74Å; R363-D586 IonicContact NH1-OD2 3.42Å; R363-D586 PolarHBondContact NH1-OD2 2.9Å; R363-D586 IonicContact NH2-OD2 2.75Å; R363-D586 PolarHBondContact NH2-OD2 2.78Å; R363-V588 HydrophobicContact CB-CG1 4.24Å; R363-V588 HydrophobicContact CG-CG1 3.85Å; R363-V588 HydrophobicContact CG-CG2 4.26Å
364	E	98.2	Very high	98	Very high	77 Å²	77	28.5 Å²	28.5	36%	0.36	13%	0.129	S	C	.	.	H	α-helix	trans	-62.9	-37.6	176	-68.8	171.9	-165.9	0	0	112.3	R360 I361 L362 V367 R368	R360-E364 WeakPolarHBondContact CG-OE1 3.41Å; R360-E364 IonicContact CZ-OE1 3.66Å; R360-E364 IonicContact NH1-OE1 3.8Å; R360-E364 PolarHBondContact NH1-OE1 3.01Å; R360-E364 IonicContact NH1-OE2 2.61Å; R360-E364 PolarHBondContact NH1-OE2 2.82Å; R360-E364 WeakPolarHBondContact O-CG 3.4Å; R360-E364 PolarHBondContact O-N 2.89Å; R360-E364 VanDerWaalsContact O-N 3.08Å; I361-E364 PolarHBondContact O-N 2.99Å; L362-E364 VanDerWaalsContact C-N 3.34Å; L362-E364 PolarHBondContact O-N 2.79Å; E364-V367 PolarHBondContact O-N 3.02Å; E364-R368 PolarHBondContact O-N 3.37Å; E364-R368 PolarHBondContact O-NH1 2.98Å; E364-R368 VanDerWaalsContact O-NH1 3.13Å
365	A	98.4	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-43.3	175.1	0	0	0	0	0	111.9	I361 L362 R363 V367 R368 D369 Y452	I361-A365 PolarHBondContact O-N 3.44Å; L362-A365 PolarHBondContact O-N 3.47Å; R363-A365 VanDerWaalsContact C-N 3.32Å; R363-A365 PolarHBondContact O-N 2.89Å; A365-V367 VanDerWaalsContact C-N 3.33Å; A365-V367 PolarHBondContact O-N 2.81Å; A365-R368 VanDerWaalsContact CA-NH2 3.32Å; A365-R368 PolarHBondContact O-N 2.95Å; A365-D369 WeakPolarHBondContact O-CB 3.32Å; A365-D369 PolarHBondContact O-N 2.8Å; A365-Y452 HydrophobicContact CB-CD2 4.28Å; A365-Y452 HydrophobicContact CB-CG 4.43Å
366	H	98.8	Very high	98.2	Very high	5 Å²	5	28 Å²	28	2%	0.023	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-32.8	176.9	-74	75.6	0	0	0	113.1	L362 R363 D369 A370 T456 I568 V588	L362-H366 PolarHBondContact O-N 2.85Å; L362-H366 PolarHBondContact O-ND1 2.66Å; R363-H366 PolarHBondContact O-N 3.26Å; H366-D369 PolarHBondContact O-N 2.98Å; H366-A370 WeakPolarHBondContact O-CB 3.19Å; H366-A370 PolarHBondContact O-N 3.29Å; H366-T456 PolarHBondContact CE1-O 2.94Å; H366-T456 VanDerWaalsContact CE1-O 3.25Å; H366-I568 WeakPolarHBondContact NE2-CG1 3.29Å; H366-V588 HydrophobicContact CB-CG1 3.66Å; H366-V588 WeakPolarHBondContact CB-O 3.43Å
367	V	98.8	Very high	98.3	Very high	24 Å²	24	20.9 Å²	20.9	15%	0.145	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-43.4	172.1	172	0	0	0	0	111	R363 E364 A365 L590 L621 E625	R363-V367 WeakPolarHBondContact O-CG2 3.21Å; R363-V367 PolarHBondContact O-N 3.49Å; R363-V367 VanDerWaalsContact O-N 3.09Å; E364-V367 PolarHBondContact O-N 3.02Å; A365-V367 VanDerWaalsContact C-N 3.33Å; A365-V367 PolarHBondContact O-N 2.81Å; V367-L590 HydrophobicContact CG2-CD1 3.77Å; V367-L621 HydrophobicContact CG2-CB 4.44Å; V367-E625 HydrophobicContact CG1-CB 3.73Å; V367-E625 HydrophobicContact CG1-CG 4.08Å
368	R	98.4	Very high	98.4	Very high	20 Å²	20	20 Å²	20	8%	0.075	9%	0.088	C	C	.	.	H	α-helix	trans	-67.9	-38.9	175.9	-68.4	-175	-63.2	-85.8	5.3	112.2	E364 A365 A370 V371 A372 Q405 D454	E364-R368 PolarHBondContact O-N 3.37Å; E364-R368 PolarHBondContact O-NH1 2.98Å; E364-R368 VanDerWaalsContact O-NH1 3.13Å; A365-R368 VanDerWaalsContact CA-NH2 3.32Å; A365-R368 PolarHBondContact O-N 2.95Å; R368-A370 VanDerWaalsContact C-N 3.33Å; R368-A370 PolarHBondContact O-N 2.77Å; R368-V371 WeakPolarHBondContact O-CB 3.43Å; R368-V371 PolarHBondContact O-N 3.42Å; R368-A372 PolarHBondContact O-N 3.39Å; R368-Q405 HydrophobicContact CB-CB 4.39Å; R368-Q405 HydrophobicContact CB-CG 4.49Å; R368-Q405 PolarHBondContact O-OE1 3.19Å; R368-D454 IonicContact CZ-OD1 3.38Å; R368-D454 IonicContact CZ-OD2 3.37Å; R368-D454 IonicContact NH1-OD2 2.66Å; R368-D454 IonicContact NH2-OD1 3.71Å; R368-D454 PolarHBondContact NH2-OD1 3.02Å; R368-D454 IonicContact NH2-OD2 3.34Å; R368-D454 PolarHBondContact NH2-OD2 3.07Å
369	D	98.8	Very high	98.5	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-65.7	-38.2	178.3	-156.6	65.2	0	0	0	112	A365 H366 V371 A372 V373 R402 Y452 T457	A365-D369 WeakPolarHBondContact O-CB 3.32Å; A365-D369 PolarHBondContact O-N 2.8Å; H366-D369 PolarHBondContact O-N 2.98Å; D369-V371 PolarHBondContact O-N 3.25Å; D369-A372 WeakPolarHBondContact O-CB 3.38Å; D369-A372 PolarHBondContact O-N 3.05Å; D369-V373 PolarHBondContact O-N 3.36Å; D369-R402 WeakPolarHBondContact OD1-CD 3.22Å; D369-R402 IonicContact OD1-CZ 2.82Å; D369-R402 IonicContact OD1-NE 3.82Å; D369-R402 PolarHBondContact OD1-NE 3.14Å; D369-R402 IonicContact OD1-NH2 3.31Å; D369-R402 IonicContact OD2-CZ 3.63Å; D369-R402 IonicContact OD2-NE 2.76Å; D369-R402 PolarHBondContact OD2-NE 3.07Å; D369-R402 IonicContact OD2-NH2 3.57Å; D369-R402 PolarHBondContact OD2-NH2 3.41Å; D369-Y452 HydrophobicContact CB-CE2 4.3Å; D369-Y452 PolarHBondContact OD1-OH 2.74Å; D369-T457 HydrophobicContact CB-CG2 3.74Å; D369-T457 PolarHBondContact OD1-OG1 3.31Å; D369-T457 PolarHBondContact OD2-OG1 3.23Å
370	A	98.9	Very high	98.5	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-57.2	-35.8	174.2	0	0	0	0	0	112.1	H366 R368 V373 I374 L590 V591 V622	H366-A370 WeakPolarHBondContact O-CB 3.19Å; H366-A370 PolarHBondContact O-N 3.29Å; R368-A370 VanDerWaalsContact C-N 3.33Å; R368-A370 PolarHBondContact O-N 2.77Å; A370-V373 PolarHBondContact O-N 2.93Å; A370-I374 WeakPolarHBondContact O-CB 3.5Å; A370-I374 WeakPolarHBondContact O-CD1 3.08Å; A370-I374 WeakPolarHBondContact O-CG1 3.37Å; A370-I374 PolarHBondContact O-N 3.14Å; A370-L590 HydrophobicContact CB-CB 4.22Å; A370-V591 HydrophobicContact CB-CG2 3.91Å; A370-V622 HydrophobicContact CB-CG1 4.39Å; A370-V622 HydrophobicContact CB-CG2 4.05Å
371	V	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.4	-46.8	173.8	175.9	0	0	0	0	111.1	R368 D369 V373 I374 Q375 V622 E625 L626 L631	R368-V371 WeakPolarHBondContact O-CB 3.43Å; R368-V371 PolarHBondContact O-N 3.42Å; D369-V371 PolarHBondContact O-N 3.25Å; V371-V373 VanDerWaalsContact C-N 3.35Å; V371-V373 PolarHBondContact O-N 3.13Å; V371-I374 PolarHBondContact O-N 3.05Å; V371-Q375 WeakPolarHBondContact O-CG 3.26Å; V371-Q375 PolarHBondContact O-N 2.86Å; V371-V622 HydrophobicContact CG2-CG1 4.33Å; V371-E625 HydrophobicContact CG2-CG 4.05Å; V371-L626 HydrophobicContact CB-CD2 4.27Å; V371-L626 HydrophobicContact CG1-CD2 3.77Å; V371-L626 HydrophobicContact CG2-CD2 3.83Å; V371-L626 HydrophobicContact CG2-CG 4.25Å; V371-L631 HydrophobicContact CG1-CD1 3.47Å; V371-L631 VanDerWaalsContact CG1-CD1 3.47Å
372	A	98.8	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.9	-39.8	-179.7	0	0	0	0	0	112.3	R368 D369 Q375 L376 C401 R402 Q405	R368-A372 PolarHBondContact O-N 3.39Å; D369-A372 WeakPolarHBondContact O-CB 3.38Å; D369-A372 PolarHBondContact O-N 3.05Å; A372-Q375 PolarHBondContact O-N 3.19Å; A372-L376 PolarHBondContact O-N 3.31Å; A372-L376 VanDerWaalsContact O-N 3.1Å; A372-C401 HydrophobicContact CB-CB 3.75Å; A372-R402 HydrophobicContact CB-CB 4.44Å; A372-R402 HydrophobicContact CB-CG 3.67Å; A372-Q405 HydrophobicContact CB-CG 4.32Å
373	V	98.8	Very high	98.3	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-70.2	-39.9	176.6	-178.2	0	0	0	0	111.4	D369 A370 V371 Q375 L376 L377 V398 I459 V591	D369-V373 PolarHBondContact O-N 3.36Å; A370-V373 PolarHBondContact O-N 2.93Å; V371-V373 VanDerWaalsContact C-N 3.35Å; V371-V373 PolarHBondContact O-N 3.13Å; V373-Q375 VanDerWaalsContact C-N 3.31Å; V373-Q375 PolarHBondContact O-N 2.97Å; V373-L376 WeakPolarHBondContact O-CB 3.39Å; V373-L376 PolarHBondContact O-N 3.41Å; V373-L377 HydrophobicContact CG1-CD1 4.27Å; V373-L377 HydrophobicContact CG1-CG 4.33Å; V373-L377 WeakPolarHBondContact O-CG 3.43Å; V373-L377 PolarHBondContact O-N 2.97Å; V373-V398 HydrophobicContact CG2-CG2 4.48Å; V373-I459 HydrophobicContact CG2-CG2 3.92Å; V373-V591 HydrophobicContact CB-CG2 3.91Å; V373-V591 HydrophobicContact CG1-CB 4.47Å; V373-V591 HydrophobicContact CG1-CG1 3.87Å; V373-V591 HydrophobicContact CG1-CG2 3.96Å
374	I	98.9	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60	-42.5	174	-74.3	166.2	0	0	0	110.8	A370 V371 L376 L377 M378 V622 E634 W637 M638	A370-I374 WeakPolarHBondContact O-CB 3.5Å; A370-I374 WeakPolarHBondContact O-CD1 3.08Å; A370-I374 WeakPolarHBondContact O-CG1 3.37Å; A370-I374 PolarHBondContact O-N 3.14Å; V371-I374 PolarHBondContact O-N 3.05Å; I374-L376 VanDerWaalsContact C-N 3.35Å; I374-L376 PolarHBondContact O-N 2.88Å; I374-L377 PolarHBondContact O-N 2.63Å; I374-M378 VanDerWaalsContact O-CB 3.28Å; I374-M378 WeakPolarHBondContact O-CB 3.48Å; I374-M378 PolarHBondContact O-N 3.25Å; I374-V622 HydrophobicContact CD1-CG1 3.81Å; I374-E634 HydrophobicContact CG2-CB 3.98Å; I374-E634 HydrophobicContact CG2-CG 4.37Å; I374-W637 HydrophobicContact CB-CZ3 4.42Å; I374-W637 HydrophobicContact CG1-CZ3 4.07Å; I374-W637 HydrophobicContact CG2-CE3 3.7Å; I374-W637 HydrophobicContact CG2-CZ3 4.05Å; I374-M638 HydrophobicContact CD1-CB 4.35Å; I374-M638 HydrophobicContact CD1-CG 4.25Å
375	Q	98.9	Very high	98.1	Very high	18 Å²	18	21.5 Å²	21.5	8%	0.084	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-44.2	174.8	-75.8	-179.5	-35.3	0	0	111.9	V371 A372 V373 W379 C401 E634	V371-Q375 WeakPolarHBondContact O-CG 3.26Å; V371-Q375 PolarHBondContact O-N 2.86Å; A372-Q375 PolarHBondContact O-N 3.19Å; V373-Q375 VanDerWaalsContact C-N 3.31Å; V373-Q375 PolarHBondContact O-N 2.97Å; Q375-W379 WeakPolarHBondContact O-CB 3.46Å; Q375-W379 PolarHBondContact O-N 3.44Å; Q375-C401 HydrophobicContact CB-CB 4.47Å; Q375-C401 PolarHBondContact OE1-SG 3.34Å; Q375-E634 HydrophobicContact CG-CG 3.75Å; Q375-E634 PolarHBondContact NE2-OE1 3.37Å
376	L	98.8	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.7	-55.9	174	173.5	74.3	0	0	0	111.1	A372 V373 I374 M378 W379 L380 A394 Y397 V398 V446	A372-L376 PolarHBondContact O-N 3.31Å; A372-L376 VanDerWaalsContact O-N 3.1Å; V373-L376 WeakPolarHBondContact O-CB 3.39Å; V373-L376 PolarHBondContact O-N 3.41Å; I374-L376 VanDerWaalsContact C-N 3.35Å; I374-L376 PolarHBondContact O-N 2.88Å; L376-M378 VanDerWaalsContact C-N 3.33Å; L376-M378 PolarHBondContact O-N 2.98Å; L376-W379 HydrophobicContact CD1-CE3 4.24Å; L376-W379 HydrophobicContact CD1-CZ3 4.44Å; L376-W379 PolarHBondContact O-N 2.89Å; L376-L380 HydrophobicContact CD1-CD1 3.78Å; L376-L380 HydrophobicContact CD1-CG 3.98Å; L376-L380 HydrophobicContact CD2-CD1 4.36Å; L376-L380 HydrophobicContact CG-CD1 3.85Å; L376-L380 HydrophobicContact CG-CG 4.31Å; L376-L380 WeakPolarHBondContact O-CB 3.45Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.25Å; L376-A394 HydrophobicContact CD1-CB 4.36Å; L376-A394 WeakPolarHBondContact CD1-O 3.46Å; L376-Y397 HydrophobicContact CB-CD1 4.34Å; L376-Y397 HydrophobicContact CD1-CD1 3.83Å; L376-Y397 HydrophobicContact CD1-CG 4.49Å; L376-V398 HydrophobicContact CB-CB 4.14Å; L376-V398 HydrophobicContact CB-CG2 4.11Å; L376-V398 HydrophobicContact CD1-CB 4.12Å; L376-V398 HydrophobicContact CD2-CB 3.87Å; L376-V398 HydrophobicContact CD2-CG1 4.49Å; L376-V398 HydrophobicContact CD2-CG2 4.03Å; L376-V398 HydrophobicContact CG-CB 4.23Å; L376-V446 HydrophobicContact CD2-CB 4.3Å; L376-V446 HydrophobicContact CD2-CG1 3.91Å; L376-V446 HydrophobicContact CD2-CG2 3.87Å
377	L	98.6	Very high	97.4	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-42.2	-173.8	-65.1	-178	0	0	0	111.5	V373 I374 E381 V446 V463 V591 W637	V373-L377 HydrophobicContact CG1-CD1 4.27Å; V373-L377 HydrophobicContact CG1-CG 4.33Å; V373-L377 WeakPolarHBondContact O-CG 3.43Å; V373-L377 PolarHBondContact O-N 2.97Å; I374-L377 PolarHBondContact O-N 2.63Å; L377-E381 WeakPolarHBondContact O-CB 3.4Å; L377-E381 PolarHBondContact O-N 2.85Å; L377-V446 HydrophobicContact CD2-CG1 4.48Å; L377-V463 HydrophobicContact CD2-CG1 3.99Å; L377-V591 HydrophobicContact CD1-CG1 3.74Å; L377-W637 HydrophobicContact CB-CH2 3.75Å; L377-W637 HydrophobicContact CB-CZ2 3.78Å; L377-W637 HydrophobicContact CD1-CH2 3.95Å
378	M	98.3	Very high	96.9	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-43.7	174.8	-177.9	-173.8	72	0	0	111.9	I374 L376 E381 K382 E633 E634 W637	I374-M378 VanDerWaalsContact O-CB 3.28Å; I374-M378 WeakPolarHBondContact O-CB 3.48Å; I374-M378 PolarHBondContact O-N 3.25Å; L376-M378 VanDerWaalsContact C-N 3.33Å; L376-M378 PolarHBondContact O-N 2.98Å; M378-E381 PolarHBondContact O-N 3.34Å; M378-K382 PolarHBondContact O-N 3.43Å; M378-E633 HydrophobicContact CE-CG 4.46Å; M378-E633 HydrophobicContact SD-CB 4.29Å; M378-E633 HydrophobicContact SD-CG 3.83Å; M378-E634 HydrophobicContact CE-CG 3.65Å; M378-E634 HydrophobicContact SD-CG 4.1Å; M378-W637 HydrophobicContact CB-CD2 4.17Å; M378-W637 HydrophobicContact CB-CG 3.95Å; M378-W637 HydrophobicContact CG-CB 4.23Å; M378-W637 HydrophobicContact CG-CG 3.96Å; M378-W637 HydrophobicContact SD-CB 4.08Å; M378-W637 HydrophobicContact SD-CG 4.43Å
379	W	98.4	Very high	96.8	Very high	46 Å²	46	29.8 Å²	29.8	17%	0.174	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-47.5	178.8	171.5	70.2	0	0	0	111.2	Q375 L376 E381 K382 V383 V389 R393 Y397	Q375-W379 WeakPolarHBondContact O-CB 3.46Å; Q375-W379 PolarHBondContact O-N 3.44Å; L376-W379 HydrophobicContact CD1-CE3 4.24Å; L376-W379 HydrophobicContact CD1-CZ3 4.44Å; L376-W379 PolarHBondContact O-N 2.89Å; W379-E381 VanDerWaalsContact C-N 3.35Å; W379-E381 PolarHBondContact O-N 2.83Å; W379-K382 WeakPolarHBondContact O-CB 3.28Å; W379-K382 PolarHBondContact O-N 2.84Å; W379-K382 VanDerWaalsContact O-N 3.09Å; W379-V383 HydrophobicContact CD2-CG2 4.05Å; W379-V383 HydrophobicContact CE3-CG2 4.42Å; W379-V383 HydrophobicContact CH2-CG2 4.27Å; W379-V383 HydrophobicContact CZ2-CG2 3.86Å; W379-V383 WeakPolarHBondContact O-CG2 3.26Å; W379-V383 PolarHBondContact O-N 3.47Å; W379-V383 VanDerWaalsContact O-N 3.07Å; W379-V389 HydrophobicContact CH2-CB 4.41Å; W379-V389 HydrophobicContact CH2-CG2 3.5Å; W379-V389 VanDerWaalsContact CH2-CG2 3.5Å; W379-V389 HydrophobicContact CZ2-CG2 4.36Å; W379-V389 HydrophobicContact CZ3-CG2 3.94Å; W379-R393 HydrophobicContact CH2-CG 4.2Å; W379-Y397 HydrophobicContact CB-CD1 4.44Å; W379-Y397 HydrophobicContact CB-CE1 3.64Å; W379-Y397 AromaticContact CD1-CZ 3.97Å; W379-Y397 AromaticContact CD2-CD1 3.96Å; W379-Y397 HydrophobicContact CD2-CD1 3.96Å; W379-Y397 AromaticContact CD2-CD2 3.82Å; W379-Y397 HydrophobicContact CD2-CD2 3.82Å; W379-Y397 AromaticContact CD2-CE1 3.87Å; W379-Y397 HydrophobicContact CD2-CE1 3.87Å; W379-Y397 AromaticContact CD2-CE2 3.73Å; W379-Y397 HydrophobicContact CD2-CE2 3.73Å; W379-Y397 AromaticContact CD2-CG 3.93Å; W379-Y397 HydrophobicContact CD2-CG 3.93Å; W379-Y397 AromaticContact CD2-CZ 3.75Å; W379-Y397 AromaticContact CE2-CD2 3.94Å; W379-Y397 AromaticContact CE2-CE2 3.9Å; W379-Y397 AromaticContact CE3-CD1 3.51Å; W379-Y397 HydrophobicContact CE3-CD1 3.51Å; W379-Y397 AromaticContact CE3-CD2 3.86Å; W379-Y397 HydrophobicContact CE3-CD2 3.86Å; W379-Y397 AromaticContact CE3-CE1 3.87Å; W379-Y397 HydrophobicContact CE3-CE1 3.87Å; W379-Y397 HydrophobicContact CE3-CE2 4.19Å; W379-Y397 AromaticContact CE3-CG 3.5Å; W379-Y397 HydrophobicContact CE3-CG 3.5Å; W379-Y397 VanDerWaalsContact CE3-CG 3.5Å; W379-Y397 HydrophobicContact CG-CD1 4.37Å; W379-Y397 HydrophobicContact CG-CD2 4.42Å; W379-Y397 AromaticContact CG-CE1 3.79Å; W379-Y397 HydrophobicContact CG-CE1 3.79Å; W379-Y397 AromaticContact CG-CE2 3.86Å; W379-Y397 HydrophobicContact CG-CE2 3.86Å; W379-Y397 AromaticContact CG-CZ 3.5Å; W379-Y397 HydrophobicContact CH2-CD2 4.15Å; W379-Y397 HydrophobicContact CH2-CG 4.19Å; W379-Y397 HydrophobicContact CZ2-CD2 4.13Å; W379-Y397 HydrophobicContact CZ2-CE2 4.49Å; W379-Y397 HydrophobicContact CZ3-CD1 4.07Å; W379-Y397 HydrophobicContact CZ3-CD2 4.02Å; W379-Y397 AromaticContact CZ3-CG 3.64Å; W379-Y397 HydrophobicContact CZ3-CG 3.64Å
380	L	98.3	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-42.1	177.9	-70.8	178.7	0	0	0	112.3	L376 K382 V383 V384 V389 A394 L438 F444 W465	L376-L380 HydrophobicContact CD1-CD1 3.78Å; L376-L380 HydrophobicContact CD1-CG 3.98Å; L376-L380 HydrophobicContact CD2-CD1 4.36Å; L376-L380 HydrophobicContact CG-CD1 3.85Å; L376-L380 HydrophobicContact CG-CG 4.31Å; L376-L380 WeakPolarHBondContact O-CB 3.45Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.25Å; L380-K382 PolarHBondContact O-N 3.26Å; L380-K382 VanDerWaalsContact O-N 3.15Å; L380-V383 HydrophobicContact CD2-CG2 4.44Å; L380-V383 PolarHBondContact O-N 3.5Å; L380-V383 VanDerWaalsContact O-N 3.17Å; L380-V384 HydrophobicContact CB-CG2 4.16Å; L380-V384 HydrophobicContact CD2-CG2 4.18Å; L380-V384 WeakPolarHBondContact O-CB 3.5Å; L380-V384 WeakPolarHBondContact O-CG2 3.32Å; L380-V384 PolarHBondContact O-N 3.44Å; L380-V389 HydrophobicContact CD2-CG1 4.34Å; L380-V389 HydrophobicContact CD2-CG2 3.93Å; L380-A394 HydrophobicContact CD1-CB 4.3Å; L380-A394 HydrophobicContact CD2-CB 4.03Å; L380-L438 HydrophobicContact CD2-CD1 3.78Å; L380-F444 HydrophobicContact CD1-CD1 4.11Å; L380-F444 HydrophobicContact CD1-CE1 3.51Å; L380-F444 HydrophobicContact CD1-CZ 4.07Å; L380-W465 HydrophobicContact CB-CH2 4.27Å; L380-W465 HydrophobicContact CB-CZ2 3.52Å; L380-W465 HydrophobicContact CD1-CH2 4.13Å; L380-W465 HydrophobicContact CD1-CZ2 3.93Å; L380-W465 HydrophobicContact CG-CZ2 4.32Å
381	E	96.8	Very high	96.7	Very high	84 Å²	84	31.5 Å²	31.5	39%	0.393	18%	0.18	S	C	.	.	H	α-helix	trans	-56.1	-32.7	175.8	-172.8	178	166.6	0	0	112.8	L377 M378 W379 P385 W637	L377-E381 WeakPolarHBondContact O-CB 3.4Å; L377-E381 PolarHBondContact O-N 2.85Å; M378-E381 PolarHBondContact O-N 3.34Å; W379-E381 VanDerWaalsContact C-N 3.35Å; W379-E381 PolarHBondContact O-N 2.83Å; E381-P385 WeakPolarHBondContact O-CD 3.49Å; E381-W637 PolarHBondContact OE2-NE1 3.26Å
382	K	95.8	Very high	96.7	Very high	102 Å²	102	33.5 Å²	33.5	44%	0.443	19%	0.19	S	C	.	.	H	α-helix	trans	-81	-39.4	177	-62.5	176	-166.2	174	0	113.1	M378 W379 L380 E633	M378-K382 PolarHBondContact O-N 3.43Å; W379-K382 WeakPolarHBondContact O-CB 3.28Å; W379-K382 PolarHBondContact O-N 2.84Å; W379-K382 VanDerWaalsContact O-N 3.09Å; L380-K382 PolarHBondContact O-N 3.26Å; L380-K382 VanDerWaalsContact O-N 3.15Å; K382-E633 WeakPolarHBondContact CE-OE1 3.33Å; K382-E633 IonicContact NZ-OE1 3.67Å; K382-E633 PolarHBondContact NZ-OE1 2.89Å; K382-E633 IonicContact NZ-OE2 2.72Å; K382-E633 PolarHBondContact NZ-OE2 3.18Å
383	V	96.9	Very high	96.6	Very high	38 Å²	38	40.4 Å²	40.4	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-97.3	-25.4	-167.7	-56.6	0	0	0	0	114.9	W379 L380 A386 V389	W379-V383 HydrophobicContact CD2-CG2 4.05Å; W379-V383 HydrophobicContact CE3-CG2 4.42Å; W379-V383 HydrophobicContact CH2-CG2 4.27Å; W379-V383 HydrophobicContact CZ2-CG2 3.86Å; W379-V383 WeakPolarHBondContact O-CG2 3.26Å; W379-V383 PolarHBondContact O-N 3.47Å; W379-V383 VanDerWaalsContact O-N 3.07Å; L380-V383 HydrophobicContact CD2-CG2 4.44Å; L380-V383 PolarHBondContact O-N 3.5Å; L380-V383 VanDerWaalsContact O-N 3.17Å; V383-A386 WeakPolarHBondContact O-CB 3.48Å; V383-A386 PolarHBondContact O-N 2.88Å; V383-A386 VanDerWaalsContact O-N 3.15Å; V383-V389 HydrophobicContact CG2-CB 4.07Å; V383-V389 HydrophobicContact CG2-CG1 3.94Å; V383-V389 HydrophobicContact CG2-CG2 4.49Å
384	V	97.3	Very high	96.6	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-60.5	-43.4	178.5	173.6	0	0	0	0	112	L380 A386 G387 V389 L438 V440 W465	L380-V384 HydrophobicContact CB-CG2 4.16Å; L380-V384 HydrophobicContact CD2-CG2 4.18Å; L380-V384 WeakPolarHBondContact O-CB 3.5Å; L380-V384 WeakPolarHBondContact O-CG2 3.32Å; L380-V384 PolarHBondContact O-N 3.44Å; V384-A386 PolarHBondContact O-N 2.88Å; V384-A386 VanDerWaalsContact O-N 3.1Å; V384-G387 PolarHBondContact O-N 3.24Å; V384-V389 HydrophobicContact CB-CG1 4.37Å; V384-V389 HydrophobicContact CG2-CG1 3.6Å; V384-L438 HydrophobicContact CG1-CB 4.22Å; V384-L438 HydrophobicContact CG2-CB 3.98Å; V384-L438 HydrophobicContact CG2-CD1 4.07Å; V384-V440 HydrophobicContact CG1-CG1 4.06Å; V384-W465 HydrophobicContact CB-CD2 4.19Å; V384-W465 HydrophobicContact CB-CE3 4.19Å; V384-W465 HydrophobicContact CB-CZ3 4.49Å; V384-W465 HydrophobicContact CG1-CD2 4.11Å; V384-W465 HydrophobicContact CG1-CE3 3.7Å; V384-W465 HydrophobicContact CG1-CZ3 4.1Å; V384-W465 HydrophobicContact CG2-CD2 4.17Å; V384-W465 HydrophobicContact CG2-CE3 4.06Å; V384-W465 HydrophobicContact CG2-CH2 3.89Å; V384-W465 HydrophobicContact CG2-CZ2 4.07Å; V384-W465 HydrophobicContact CG2-CZ3 3.9Å
385	P	95.3	Very high	96.6	Very high	85 Å²	85	40.7 Å²	40.7	55%	0.552	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-59.6	-23.8	176.3	-25.7	35.9	0	0	0	114.4	E381 G387 V440	E381-P385 WeakPolarHBondContact O-CD 3.49Å; P385-G387 VanDerWaalsContact C-N 3.34Å; P385-V440 HydrophobicContact CB-CG1 4.3Å; P385-V440 HydrophobicContact CG-CG1 4.08Å
386	A	93.2	Very high	96.6	Very high	67 Å²	67	45.1 Å²	45.1	55%	0.554	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-82.8	-8.3	176.3	0	0	0	0	0	113.5	V383 V384 N388	V383-A386 WeakPolarHBondContact O-CB 3.48Å; V383-A386 PolarHBondContact O-N 2.88Å; V383-A386 VanDerWaalsContact O-N 3.15Å; V384-A386 PolarHBondContact O-N 2.88Å; V384-A386 VanDerWaalsContact O-N 3.1Å; A386-N388 PolarHBondContact O-N 3.28Å
387	G	89.2	Confident	96.6	Very high	27 Å²	27	48.2 Å²	48.2	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	17.4	172.2	0	0	0	0	0	116.2	V384 P385 R437	V384-G387 PolarHBondContact O-N 3.24Å; P385-G387 VanDerWaalsContact C-N 3.34Å; G387-R437 PolarHBondContact O-NH1 2.83Å
388	N	86.9	Confident	96.6	Very high	127 Å²	127	47.9 Å²	47.9	68%	0.679	25%	0.25	S	S	*	.			trans	-111	13.7	-169.6	-71.1	-24.6	0	0	0	115.1	A386	A386-N388 PolarHBondContact O-N 3.28Å
389	V	96.6	Very high	96.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	26%	0.258	C	S	.	.			trans	-121.4	144.6	-178.8	63.1	0	0	0	0	111.1	W379 L380 V383 V384 R393 L438	W379-V389 HydrophobicContact CH2-CB 4.41Å; W379-V389 HydrophobicContact CH2-CG2 3.5Å; W379-V389 VanDerWaalsContact CH2-CG2 3.5Å; W379-V389 HydrophobicContact CZ2-CG2 4.36Å; W379-V389 HydrophobicContact CZ3-CG2 3.94Å; L380-V389 HydrophobicContact CD2-CG1 4.34Å; L380-V389 HydrophobicContact CD2-CG2 3.93Å; V383-V389 HydrophobicContact CG2-CB 4.07Å; V383-V389 HydrophobicContact CG2-CG1 3.94Å; V383-V389 HydrophobicContact CG2-CG2 4.49Å; V384-V389 HydrophobicContact CB-CG1 4.37Å; V384-V389 HydrophobicContact CG2-CG1 3.6Å; V389-R393 HydrophobicContact CG2-CB 4.31Å; V389-L438 HydrophobicContact CG1-CB 4.02Å; V389-L438 HydrophobicContact CG1-CD1 3.92Å; V389-L438 HydrophobicContact CG1-CG 4.17Å; V389-L438 HydrophobicContact CG2-CD1 4.19Å; V389-L438 PolarHBondContact O-N 3.23Å
390	T	98	Very high	96.6	Very high	43 Å²	43	51.7 Å²	51.7	26%	0.264	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-116.5	164.3	177.3	61.1	0	0	0	0	110.4	L392 R393 A394 S435 R436 R437	T390-L392 VanDerWaalsContact C-N 3.31Å; T390-L392 PolarHBondContact O-N 3.32Å; T390-R393 PolarHBondContact O-N 2.83Å; T390-R393 PolarHBondContact OG1-N 2.9Å; T390-A394 PolarHBondContact O-N 3.42Å; T390-S435 WeakPolarHBondContact CB-OG 3.31Å; T390-R436 CarbonylContact C-O 3.56Å; T390-R436 WeakPolarHBondContact CA-O 3.41Å; T390-R436 WeakPolarHBondContact CB-O 3.39Å; T390-R437 HydrophobicContact CG2-CG 4.16Å
391	E	98.4	Very high	96.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-51.3	-48.1	172.3	-73.2	168	154.2	0	0	112.3	R393 A394 A395 S417 A418 S419 N422 Y428 P430 S435 R436 L438	E391-R393 VanDerWaalsContact C-N 3.34Å; E391-R393 PolarHBondContact O-N 2.88Å; E391-A394 PolarHBondContact O-N 3.12Å; E391-A395 PolarHBondContact O-N 2.84Å; E391-S417 WeakPolarHBondContact CA-OG 3.3Å; E391-S417 VanDerWaalsContact CB-O 3.23Å; E391-S417 WeakPolarHBondContact CB-O 3.47Å; E391-S417 WeakPolarHBondContact CG-O 3.33Å; E391-S417 WeakPolarHBondContact O-CB 3.14Å; E391-S417 PolarHBondContact O-OG 3.22Å; E391-A418 WeakPolarHBondContact OE1-CA 3.34Å; E391-S419 PolarHBondContact OE1-N 3.38Å; E391-N422 VanDerWaalsContact OE1-CB 3.31Å; E391-N422 WeakPolarHBondContact OE1-CB 3.46Å; E391-N422 PolarHBondContact OE1-ND2 2.83Å; E391-N422 PolarHBondContact OE2-ND2 2.97Å; E391-Y428 PolarHBondContact OE2-OH 2.94Å; E391-P430 HydrophobicContact CB-CB 3.76Å; E391-P430 HydrophobicContact CB-CG 4.15Å; E391-S435 WeakPolarHBondContact CB-OG 3.35Å; E391-S435 PolarHBondContact N-OG 2.73Å; E391-S435 WeakPolarHBondContact OE2-CA 3.47Å; E391-R436 HydrophobicContact CG-CB 4.41Å; E391-R436 PolarHBondContact N-O 2.86Å; E391-R436 WeakPolarHBondContact OE2-CB 3.39Å; E391-R436 PolarHBondContact OE2-N 3.31Å; E391-L438 HydrophobicContact CG-CD2 3.8Å
392	L	97.9	Very high	96.7	Very high	41 Å²	41	47.8 Å²	47.8	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-44.3	179.7	179.2	59.8	0	0	0	111.2	T390 A394 A395 E396 P430 E432 S435	T390-L392 VanDerWaalsContact C-N 3.31Å; T390-L392 PolarHBondContact O-N 3.32Å; L392-A394 VanDerWaalsContact C-N 3.3Å; L392-A394 PolarHBondContact O-N 2.94Å; L392-A395 WeakPolarHBondContact O-CB 3.45Å; L392-A395 PolarHBondContact O-N 2.81Å; L392-E396 HydrophobicContact CD1-CG 4.48Å; L392-E396 WeakPolarHBondContact O-CG 3.35Å; L392-E396 PolarHBondContact O-N 3.44Å; L392-P430 HydrophobicContact CB-CB 4.21Å; L392-P430 HydrophobicContact CB-CG 4.45Å; L392-E432 HydrophobicContact CD2-CG 4.15Å; L392-S435 WeakPolarHBondContact CB-OG 3.44Å; L392-S435 PolarHBondContact N-OG 3.33Å
393	R	98	Very high	96.8	Very high	146 Å²	146	46.1 Å²	46.1	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-67.8	-31	-179.9	-167.7	166.6	178.1	125.1	-3.2	112.6	W379 V389 T390 E391 Y397	W379-R393 HydrophobicContact CH2-CG 4.2Å; V389-R393 HydrophobicContact CG2-CB 4.31Å; T390-R393 PolarHBondContact O-N 2.83Å; T390-R393 PolarHBondContact OG1-N 2.9Å; E391-R393 VanDerWaalsContact C-N 3.34Å; E391-R393 PolarHBondContact O-N 2.88Å; R393-Y397 VanDerWaalsContact O-CB 3.26Å; R393-Y397 WeakPolarHBondContact O-CB 3.19Å; R393-Y397 PolarHBondContact O-N 3.2Å
394	A	98.4	Very high	96.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-41.7	172.5	0	0	0	0	0	111.9	L376 L380 T390 E391 L392 Y397 V398 L438 F444	L376-A394 HydrophobicContact CD1-CB 4.36Å; L376-A394 WeakPolarHBondContact CD1-O 3.46Å; L380-A394 HydrophobicContact CD1-CB 4.3Å; L380-A394 HydrophobicContact CD2-CB 4.03Å; T390-A394 PolarHBondContact O-N 3.42Å; E391-A394 PolarHBondContact O-N 3.12Å; L392-A394 VanDerWaalsContact C-N 3.3Å; L392-A394 PolarHBondContact O-N 2.94Å; A394-Y397 PolarHBondContact O-N 2.7Å; A394-V398 PolarHBondContact O-N 3.19Å; A394-V398 VanDerWaalsContact O-N 3.13Å; A394-L438 HydrophobicContact CB-CD1 4.17Å; A394-F444 HydrophobicContact CB-CE2 4.47Å; A394-F444 HydrophobicContact CB-CZ 3.94Å
395	A	98.4	Very high	96.9	Very high	8 Å²	8	50.8 Å²	50.8	7%	0.066	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-46.6	173.5	0	0	0	0	0	112	E391 L392 Y397 V398 N399 T415 P430	E391-A395 PolarHBondContact O-N 2.84Å; L392-A395 WeakPolarHBondContact O-CB 3.45Å; L392-A395 PolarHBondContact O-N 2.81Å; A395-Y397 VanDerWaalsContact C-N 3.32Å; A395-Y397 PolarHBondContact O-N 2.68Å; A395-V398 WeakPolarHBondContact O-CG1 3.38Å; A395-N399 PolarHBondContact O-N 3.47Å; A395-N399 PolarHBondContact O-ND2 3.14Å; A395-N399 VanDerWaalsContact O-ND2 3.16Å; A395-T415 HydrophobicContact CB-CG2 3.61Å; A395-P430 HydrophobicContact CB-CG 4.26Å
396	E	98.3	Very high	97	Very high	111 Å²	111	53 Å²	53	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-40.2	175.5	-70.2	172.6	162.5	0	0	112.1	L392 N399 H400	L392-E396 HydrophobicContact CD1-CG 4.48Å; L392-E396 WeakPolarHBondContact O-CG 3.35Å; L392-E396 PolarHBondContact O-N 3.44Å; E396-N399 PolarHBondContact O-N 3.25Å; E396-H400 WeakPolarHBondContact O-CB 3.44Å; E396-H400 PolarHBondContact O-N 2.78Å
397	Y	98.6	Very high	97.2	Very high	65 Å²	65	51.1 Å²	51.1	26%	0.255	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-45.4	-177.8	-171.9	-90.4	0	0	0	112.2	L376 W379 R393 A394 A395 N399 H400 C401	L376-Y397 HydrophobicContact CB-CD1 4.34Å; L376-Y397 HydrophobicContact CD1-CD1 3.83Å; L376-Y397 HydrophobicContact CD1-CG 4.49Å; W379-Y397 HydrophobicContact CB-CD1 4.44Å; W379-Y397 HydrophobicContact CB-CE1 3.64Å; W379-Y397 AromaticContact CD1-CZ 3.97Å; W379-Y397 AromaticContact CD2-CD1 3.96Å; W379-Y397 HydrophobicContact CD2-CD1 3.96Å; W379-Y397 AromaticContact CD2-CD2 3.82Å; W379-Y397 HydrophobicContact CD2-CD2 3.82Å; W379-Y397 AromaticContact CD2-CE1 3.87Å; W379-Y397 HydrophobicContact CD2-CE1 3.87Å; W379-Y397 AromaticContact CD2-CE2 3.73Å; W379-Y397 HydrophobicContact CD2-CE2 3.73Å; W379-Y397 AromaticContact CD2-CG 3.93Å; W379-Y397 HydrophobicContact CD2-CG 3.93Å; W379-Y397 AromaticContact CD2-CZ 3.75Å; W379-Y397 AromaticContact CE2-CD2 3.94Å; W379-Y397 AromaticContact CE2-CE2 3.9Å; W379-Y397 AromaticContact CE3-CD1 3.51Å; W379-Y397 HydrophobicContact CE3-CD1 3.51Å; W379-Y397 AromaticContact CE3-CD2 3.86Å; W379-Y397 HydrophobicContact CE3-CD2 3.86Å; W379-Y397 AromaticContact CE3-CE1 3.87Å; W379-Y397 HydrophobicContact CE3-CE1 3.87Å; W379-Y397 HydrophobicContact CE3-CE2 4.19Å; W379-Y397 AromaticContact CE3-CG 3.5Å; W379-Y397 HydrophobicContact CE3-CG 3.5Å; W379-Y397 VanDerWaalsContact CE3-CG 3.5Å; W379-Y397 HydrophobicContact CG-CD1 4.37Å; W379-Y397 HydrophobicContact CG-CD2 4.42Å; W379-Y397 AromaticContact CG-CE1 3.79Å; W379-Y397 HydrophobicContact CG-CE1 3.79Å; W379-Y397 AromaticContact CG-CE2 3.86Å; W379-Y397 HydrophobicContact CG-CE2 3.86Å; W379-Y397 AromaticContact CG-CZ 3.5Å; W379-Y397 HydrophobicContact CH2-CD2 4.15Å; W379-Y397 HydrophobicContact CH2-CG 4.19Å; W379-Y397 HydrophobicContact CZ2-CD2 4.13Å; W379-Y397 HydrophobicContact CZ2-CE2 4.49Å; W379-Y397 HydrophobicContact CZ3-CD1 4.07Å; W379-Y397 HydrophobicContact CZ3-CD2 4.02Å; W379-Y397 AromaticContact CZ3-CG 3.64Å; W379-Y397 HydrophobicContact CZ3-CG 3.64Å; R393-Y397 VanDerWaalsContact O-CB 3.26Å; R393-Y397 WeakPolarHBondContact O-CB 3.19Å; R393-Y397 PolarHBondContact O-N 3.2Å; A394-Y397 PolarHBondContact O-N 2.7Å; A395-Y397 VanDerWaalsContact C-N 3.32Å; A395-Y397 PolarHBondContact O-N 2.68Å; Y397-N399 VanDerWaalsContact C-N 3.33Å; Y397-N399 PolarHBondContact O-N 3.18Å; Y397-H400 WeakPolarHBondContact O-CB 3.35Å; Y397-H400 PolarHBondContact O-N 2.61Å; Y397-C401 WeakPolarHBondContact CE1-SG 3.37Å; Y397-C401 PolarHBondContact O-N 2.92Å; Y397-C401 PolarHBondContact O-SG 2.94Å
398	V	98.8	Very high	97.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-38.5	178.7	70.6	0	0	0	0	111.7	V373 L376 A394 A395 H400 C401 R402 T415	V373-V398 HydrophobicContact CG2-CG2 4.48Å; L376-V398 HydrophobicContact CB-CB 4.14Å; L376-V398 HydrophobicContact CB-CG2 4.11Å; L376-V398 HydrophobicContact CD1-CB 4.12Å; L376-V398 HydrophobicContact CD2-CB 3.87Å; L376-V398 HydrophobicContact CD2-CG1 4.49Å; L376-V398 HydrophobicContact CD2-CG2 4.03Å; L376-V398 HydrophobicContact CG-CB 4.23Å; A394-V398 PolarHBondContact O-N 3.19Å; A394-V398 VanDerWaalsContact O-N 3.13Å; A395-V398 WeakPolarHBondContact O-CG1 3.38Å; V398-H400 VanDerWaalsContact C-N 3.32Å; V398-H400 PolarHBondContact O-N 3.42Å; V398-C401 WeakPolarHBondContact O-CB 3.47Å; V398-C401 PolarHBondContact O-N 3.35Å; V398-R402 WeakPolarHBondContact O-CG 3.46Å; V398-R402 PolarHBondContact O-N 3.19Å; V398-T415 HydrophobicContact CG1-CG2 4.05Å
399	N	98.4	Very high	98.1	Very high	42 Å²	42	52 Å²	52	23%	0.225	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-38.3	175	-71.2	-28.3	0	0	0	111.7	A395 E396 Y397 R402 S403 T415	A395-N399 PolarHBondContact O-N 3.47Å; A395-N399 PolarHBondContact O-ND2 3.14Å; A395-N399 VanDerWaalsContact O-ND2 3.16Å; E396-N399 PolarHBondContact O-N 3.25Å; Y397-N399 VanDerWaalsContact C-N 3.33Å; Y397-N399 PolarHBondContact O-N 3.18Å; N399-R402 PolarHBondContact O-N 3.42Å; N399-S403 PolarHBondContact O-N 3.37Å; N399-T415 PolarHBondContact ND2-OG1 3.19Å; N399-T415 PolarHBondContact OD1-OG1 2.93Å
400	H	98.6	Very high	98.2	Very high	94 Å²	94	53 Å²	53	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-44.2	171.7	178.8	69.8	0	0	0	112.3	E396 Y397 V398 R402 S403 K404	E396-H400 WeakPolarHBondContact O-CB 3.44Å; E396-H400 PolarHBondContact O-N 2.78Å; Y397-H400 WeakPolarHBondContact O-CB 3.35Å; Y397-H400 PolarHBondContact O-N 2.61Å; V398-H400 VanDerWaalsContact C-N 3.32Å; V398-H400 PolarHBondContact O-N 3.42Å; H400-R402 PolarHBondContact O-N 2.7Å; H400-S403 PolarHBondContact O-N 3.43Å; H400-S403 PolarHBondContact O-OG 3.32Å; H400-K404 WeakPolarHBondContact NE2-CE 3.45Å; H400-K404 PolarHBondContact NE2-NZ 3.49Å
401	C	98.8	Very high	98.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-44.2	173.9	-73.6	0	0	0	0	112.1	A372 Q375 Y397 V398 S403 K404	A372-C401 HydrophobicContact CB-CB 3.75Å; Q375-C401 HydrophobicContact CB-CB 4.47Å; Q375-C401 PolarHBondContact OE1-SG 3.34Å; Y397-C401 WeakPolarHBondContact CE1-SG 3.37Å; Y397-C401 PolarHBondContact O-N 2.92Å; Y397-C401 PolarHBondContact O-SG 2.94Å; V398-C401 WeakPolarHBondContact O-CB 3.47Å; V398-C401 PolarHBondContact O-N 3.35Å; C401-S403 PolarHBondContact O-N 3.47Å; C401-K404 WeakPolarHBondContact O-CB 3.17Å; C401-K404 PolarHBondContact O-N 3.1Å
402	R	98.7	Very high	98.1	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-39.1	175.6	-74.6	-175.6	169.9	111.2	2	113	D369 A372 V398 N399 H400 K404 Q405 N408 S448	D369-R402 WeakPolarHBondContact OD1-CD 3.22Å; D369-R402 IonicContact OD1-CZ 2.82Å; D369-R402 IonicContact OD1-NE 3.82Å; D369-R402 PolarHBondContact OD1-NE 3.14Å; D369-R402 IonicContact OD1-NH2 3.31Å; D369-R402 IonicContact OD2-CZ 3.63Å; D369-R402 IonicContact OD2-NE 2.76Å; D369-R402 PolarHBondContact OD2-NE 3.07Å; D369-R402 IonicContact OD2-NH2 3.57Å; D369-R402 PolarHBondContact OD2-NH2 3.41Å; A372-R402 HydrophobicContact CB-CB 4.44Å; A372-R402 HydrophobicContact CB-CG 3.67Å; V398-R402 WeakPolarHBondContact O-CG 3.46Å; V398-R402 PolarHBondContact O-N 3.19Å; N399-R402 PolarHBondContact O-N 3.42Å; H400-R402 PolarHBondContact O-N 2.7Å; R402-K404 PolarHBondContact O-N 3.43Å; R402-Q405 VanDerWaalsContact O-CB 3.3Å; R402-Q405 WeakPolarHBondContact O-CB 3.23Å; R402-Q405 PolarHBondContact O-N 3.42Å; R402-N408 VanDerWaalsContact O-CB 3.31Å; R402-N408 WeakPolarHBondContact O-CB 3.28Å; R402-N408 VanDerWaalsContact O-CG 3.32Å; R402-S448 PolarHBondContact NH1-OG 3.38Å; R402-S448 PolarHBondContact NH2-O 3.17Å; R402-S448 PolarHBondContact NH2-OG 2.93Å
403	S	98.5	Very high	98.1	Very high	67 Å²	67	51.1 Å²	51.1	47%	0.469	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-19.5	178.1	76.4	0	0	0	0	114.3	N399 H400 C401	N399-S403 PolarHBondContact O-N 3.37Å; H400-S403 PolarHBondContact O-N 3.43Å; H400-S403 PolarHBondContact O-OG 3.32Å; C401-S403 PolarHBondContact O-N 3.47Å
404	K	98.3	Very high	98	Very high	130 Å²	130	49 Å²	49	57%	0.565	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17	175.1	-62.7	175.1	-175.4	168.2	0	112.9	H400 C401 R402	H400-K404 WeakPolarHBondContact NE2-CE 3.45Å; H400-K404 PolarHBondContact NE2-NZ 3.49Å; C401-K404 WeakPolarHBondContact O-CB 3.17Å; C401-K404 PolarHBondContact O-N 3.1Å; R402-K404 PolarHBondContact O-N 3.43Å
405	Q	98.5	Very high	97.9	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.042	24%	0.239	C	C	.	.	S	Bend	trans	-74.7	143.2	-179.6	-61.4	-55.1	-44.8	0	0	110.1	R368 A372 R402 D407 N408 Y452	R368-Q405 HydrophobicContact CB-CB 4.39Å; R368-Q405 HydrophobicContact CB-CG 4.49Å; R368-Q405 PolarHBondContact O-OE1 3.19Å; A372-Q405 HydrophobicContact CB-CG 4.32Å; R402-Q405 VanDerWaalsContact O-CB 3.3Å; R402-Q405 WeakPolarHBondContact O-CB 3.23Å; R402-Q405 PolarHBondContact O-N 3.42Å; Q405-D407 PolarHBondContact O-N 2.92Å; Q405-N408 WeakPolarHBondContact O-CB 3.22Å; Q405-N408 PolarHBondContact O-N 3.29Å; Q405-Y452 HydrophobicContact CB-CE1 3.8Å
406	K	97.6	Very high	97.9	Very high	130 Å²	130	49.4 Å²	49.4	57%	0.565	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	139.1	-179.2	-176.1	-173	171.8	-167.2	0	110.3	N408 Y452	K406-N408 PolarHBondContact O-N 3.18Å; K406-Y452 WeakPolarHBondContact O-CD1 3.13Å
407	D	97	Very high	97.9	Very high	28 Å²	28	44.1 Å²	44.1	15%	0.15	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	7.8	175.2	-66.4	-34.7	0	0	0	115.7	R205 Q405 Y452 L453	R205-D407 IonicContact CZ-OD1 3.87Å; R205-D407 IonicContact CZ-OD2 2.7Å; R205-D407 IonicContact NH1-OD1 2.78Å; R205-D407 IonicContact NH1-OD2 3.08Å; R205-D407 PolarHBondContact NH1-OD2 2.7Å; R205-D407 IonicContact NH2-OD1 2.84Å; R205-D407 PolarHBondContact NH2-OD1 2.87Å; R205-D407 IonicContact NH2-OD2 3.36Å; R205-D407 PolarHBondContact NH2-OD2 2.84Å; Q405-D407 PolarHBondContact O-N 2.92Å; D407-Y452 CarbonylContact O-C 3.59Å; D407-Y452 WeakPolarHBondContact O-CA 3.39Å; D407-L453 HydrophobicContact CB-CB 4.04Å; D407-L453 HydrophobicContact CB-CG 4.44Å; D407-L453 PolarHBondContact O-N 2.72Å
408	N	98.1	Very high	97.9	Very high	27 Å²	27	41 Å²	41	14%	0.144	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	143	178.4	-175.8	-97.4	0	0	0	113.3	R402 Q405 K406 G410 Q451 Y452	R402-N408 VanDerWaalsContact O-CB 3.31Å; R402-N408 WeakPolarHBondContact O-CB 3.28Å; R402-N408 VanDerWaalsContact O-CG 3.32Å; Q405-N408 WeakPolarHBondContact O-CB 3.22Å; Q405-N408 PolarHBondContact O-N 3.29Å; K406-N408 PolarHBondContact O-N 3.18Å; N408-G410 PolarHBondContact ND2-O 2.66Å; N408-G410 PolarHBondContact OD1-N 3.37Å; N408-Q451 CarbonylContact C-O 3.21Å; N408-Q451 WeakPolarHBondContact CA-O 3.47Å; N408-Q451 PolarHBondContact ND2-O 3.41Å; N408-Y452 HydrophobicContact CB-CD1 4.02Å; N408-Y452 HydrophobicContact CB-CE1 3.88Å
409	R	97.1	Very high	97.8	Very high	147 Å²	147	41 Å²	41	56%	0.555	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	21.1	-178.8	-64.2	-60.9	-175.1	-155.3	7	112.7	Q451 L453 Y526	R409-Q451 HydrophobicContact CB-CB 4.01Å; R409-Q451 PolarHBondContact N-O 2.83Å; R409-L453 HydrophobicContact CG-CD2 4.22Å; R409-L453 HydrophobicContact CG-CG 4.32Å; R409-L453 VanDerWaalsContact NE-CD2 3.33Å; R409-Y526 HydrophobicContact CB-CE2 3.89Å; R409-Y526 HydrophobicContact CG-CE2 3.88Å
410	G	97.1	Very high	97.7	Very high	23 Å²	23	39.2 Å²	39.2	24%	0.237	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.1	-172	-175.9	0	0	0	0	0	113.2	N408 Q451	N408-G410 PolarHBondContact ND2-O 2.66Å; N408-G410 PolarHBondContact OD1-N 3.37Å; G410-Q451 PolarHBondContact O-N 3.42Å
411	P	97.8	Very high	97.5	Very high	36 Å²	36	36.6 Å²	36.6	23%	0.234	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	153.6	179.6	31.2	-33.9	0	0	0	112.2	Y253 F413 G449	Y253-P411 HydrophobicContact CD1-CG 3.89Å; Y253-P411 HydrophobicContact CE1-CG 3.84Å; P411-F413 WeakPolarHBondContact CB-O 3.4Å; P411-G449 VanDerWaalsContact CA-O 3.31Å; P411-G449 WeakPolarHBondContact CA-O 3.39Å
412	S	97.9	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-86.8	-12.3	177.1	55.4	0	0	0	0	114.2	Y253 G449 G450 T457	Y253-S412 VanDerWaalsContact CB-C 3.48Å; Y253-S412 VanDerWaalsContact CB-O 3.23Å; Y253-S412 WeakPolarHBondContact CB-O 3.09Å; S412-G449 PolarHBondContact N-O 3.34Å; S412-G449 VanDerWaalsContact N-O 3.11Å; S412-G449 WeakPolarHBondContact OG-CA 3.3Å; S412-G449 PolarHBondContact OG-O 2.88Å; S412-G450 PolarHBondContact OG-N 2.84Å; S412-T457 PolarHBondContact OG-O 2.85Å
413	F	96.6	Very high	97.1	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.035	19%	0.189	C	C	.	.	S	Bend	trans	-164.6	172	168.8	54	-82.3	0	0	0	108.9	Y77 P411 T415 D447 S448 D458 V529	Y77-F413 HydrophobicContact CE1-CB 4.44Å; Y77-F413 WeakPolarHBondContact OH-CB 3.14Å; P411-F413 WeakPolarHBondContact CB-O 3.4Å; F413-T415 PolarHBondContact O-N 3.03Å; F413-D447 VanDerWaalsContact CZ-OD1 3.25Å; F413-D447 WeakPolarHBondContact CZ-OD1 3.25Å; F413-S448 VanDerWaalsContact CZ-C 3.46Å; F413-S448 VanDerWaalsContact CZ-CA 3.45Å; F413-D458 HydrophobicContact CE1-CB 4.4Å; F413-D458 WeakPolarHBondContact CE1-OD1 3.42Å; F413-D458 WeakPolarHBondContact CZ-OD1 3.45Å; F413-V529 HydrophobicContact CB-CG1 4.49Å; F413-V529 HydrophobicContact CD1-CB 4.37Å; F413-V529 HydrophobicContact CD1-CG1 4Å; F413-V529 HydrophobicContact CD1-CG2 4.02Å; F413-V529 HydrophobicContact CE1-CG2 4.12Å
414	E	95.5	Very high	96.8	Very high	102 Å²	102	35 Å²	35	48%	0.477	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-65.4	125.9	175.9	-167.4	175.5	-150.1	0	0	110.7	Y253 I416 S429	Y253-E414 HydrophobicContact CE2-CB 4.18Å; E414-I416 PolarHBondContact O-N 3.06Å; E414-S429 VanDerWaalsContact CD-OG 3.25Å; E414-S429 WeakPolarHBondContact CG-OG 3.24Å; E414-S429 WeakPolarHBondContact OE2-CB 3.48Å; E414-S429 PolarHBondContact OE2-OG 2.86Å
415	T	97.8	Very high	96.3	Very high	5 Å²	5	31 Å²	31	3%	0.031	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-65.1	121.1	-176	-61.5	0	0	0	0	111.9	A395 V398 N399 F413 V446	A395-T415 HydrophobicContact CB-CG2 3.61Å; V398-T415 HydrophobicContact CG1-CG2 4.05Å; N399-T415 PolarHBondContact ND2-OG1 3.19Å; N399-T415 PolarHBondContact OD1-OG1 2.93Å; F413-T415 PolarHBondContact O-N 3.03Å; T415-V446 HydrophobicContact CG2-CG2 4.36Å
416	I	97.9	Very high	95.5	Very high	11 Å²	11	31 Å²	31	6%	0.056	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.6	169.5	-64.7	164.3	0	0	0	107.1	E414 Y428 L445 V446 D447	E414-I416 PolarHBondContact O-N 3.06Å; I416-Y428 VanDerWaalsContact CA-O 3.3Å; I416-Y428 WeakPolarHBondContact CA-O 3.18Å; I416-Y428 WeakPolarHBondContact CB-O 3.48Å; I416-Y428 WeakPolarHBondContact CG1-O 3.36Å; I416-Y428 VanDerWaalsContact CG2-O 3.27Å; I416-Y428 WeakPolarHBondContact CG2-O 3.4Å; I416-L445 HydrophobicContact CG2-CD2 3.74Å; I416-V446 CarbonylContact O-C 2.89Å; I416-V446 VanDerWaalsContact O-CA 3.3Å; I416-V446 WeakPolarHBondContact O-CA 3.34Å; I416-D447 HydrophobicContact CB-CB 3.94Å; I416-D447 HydrophobicContact CD1-CB 4.25Å; I416-D447 HydrophobicContact CG2-CB 4.24Å; I416-D447 PolarHBondContact N-O 3.12Å; I416-D447 PolarHBondContact O-N 3.09Å
417	S	98.3	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	107.7	178.9	168.9	0	0	0	0	106.8	E391 Y428 F444	E391-S417 WeakPolarHBondContact CA-OG 3.3Å; E391-S417 VanDerWaalsContact CB-O 3.23Å; E391-S417 WeakPolarHBondContact CB-O 3.47Å; E391-S417 WeakPolarHBondContact CG-O 3.33Å; E391-S417 WeakPolarHBondContact O-CB 3.14Å; E391-S417 PolarHBondContact O-OG 3.22Å; S417-Y428 VanDerWaalsContact O-CE1 3.3Å; S417-Y428 WeakPolarHBondContact O-CE1 3.34Å; S417-F444 VanDerWaalsContact OG-CE2 3.3Å; S417-F444 WeakPolarHBondContact OG-CE2 3.47Å; S417-F444 WeakPolarHBondContact OG-CZ 3.33Å
418	A	97.8	Very high	94.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	127.3	-158.8	0	0	0	0	0	111.9	E391 N422 A423 Y428 F444 L445	E391-A418 WeakPolarHBondContact OE1-CA 3.34Å; A418-N422 HydrophobicContact CB-CB 4.16Å; A418-A423 HydrophobicContact CB-CB 3.95Å; A418-Y428 HydrophobicContact CB-CD1 3.71Å; A418-Y428 HydrophobicContact CB-CE1 4.28Å; A418-F444 WeakPolarHBondContact O-CA 3.38Å; A418-F444 WeakPolarHBondContact O-CD2 3.49Å; A418-L445 PolarHBondContact N-O 2.88Å; A418-L445 PolarHBondContact O-N 3.02Å
419	S	96.9	Very high	94.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.1	-179.7	-163.7	0	0	0	0	111	E391 N422 E442	E391-S419 PolarHBondContact OE1-N 3.38Å; S419-N422 PolarHBondContact O-N 2.67Å; S419-E442 WeakPolarHBondContact CB-OE2 3.38Å; S419-E442 PolarHBondContact OG-OE2 3.14Å
420	G	96.3	Very high	93.8	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	53.5	-122.6	175.3	0	0	0	0	0	111.7	N422 A423 M443 D560	G420-N422 PolarHBondContact O-N 3.4Å; G420-N422 VanDerWaalsContact O-N 3.11Å; G420-A423 WeakPolarHBondContact O-CB 3.49Å; G420-A423 PolarHBondContact O-N 3.01Å; G420-M443 PolarHBondContact N-O 3.05Å; G420-D560 CarbonylContact C-O 3.59Å; G420-D560 WeakPolarHBondContact CA-O 3.3Å
421	P	94.3	Very high	93.5	Very high	40 Å²	40	21.7 Å²	21.7	26%	0.26	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-58.4	-28.6	-175.4	-28.4	36.1	0	0	0	114.8	A423 A424 D560	P421-A423 VanDerWaalsContact C-N 3.26Å; P421-A423 PolarHBondContact O-N 3.24Å; P421-A424 WeakPolarHBondContact O-CB 3.48Å; P421-A424 PolarHBondContact O-N 3.14Å; P421-D560 WeakPolarHBondContact CA-O 3.37Å; P421-D560 WeakPolarHBondContact CD-O 3.39Å
422	N	94.9	Very high	93	Very high	20 Å²	20	28.9 Å²	28.9	11%	0.107	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-67.2	-29.9	176.9	-77.9	-5.8	0	0	0	111.5	E391 A418 S419 G420 A424 L425 Y428 R436	E391-N422 VanDerWaalsContact OE1-CB 3.31Å; E391-N422 WeakPolarHBondContact OE1-CB 3.46Å; E391-N422 PolarHBondContact OE1-ND2 2.83Å; E391-N422 PolarHBondContact OE2-ND2 2.97Å; A418-N422 HydrophobicContact CB-CB 4.16Å; S419-N422 PolarHBondContact O-N 2.67Å; G420-N422 PolarHBondContact O-N 3.4Å; G420-N422 VanDerWaalsContact O-N 3.11Å; N422-A424 PolarHBondContact O-N 3.07Å; N422-L425 WeakPolarHBondContact O-CB 3.5Å; N422-L425 PolarHBondContact O-N 2.8Å; N422-L425 VanDerWaalsContact O-N 3.11Å; N422-Y428 HydrophobicContact CB-CD1 4.05Å; N422-Y428 HydrophobicContact CB-CD2 4.25Å; N422-Y428 HydrophobicContact CB-CE1 4Å; N422-Y428 HydrophobicContact CB-CE2 4.17Å; N422-Y428 HydrophobicContact CB-CG 4.2Å; N422-Y428 PolarHBondContact ND2-OH 2.99Å; N422-Y428 VanDerWaalsContact ND2-OH 3.13Å; N422-R436 VanDerWaalsContact CG-CD 3.48Å; N422-R436 WeakPolarHBondContact ND2-CD 3.48Å; N422-R436 WeakPolarHBondContact ND2-CG 3.26Å
423	A	95.3	Very high	92.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-68.7	-20	177.8	0	0	0	0	0	112.6	A418 G420 P421 L425 L445 Y556 G562	A418-A423 HydrophobicContact CB-CB 3.95Å; G420-A423 WeakPolarHBondContact O-CB 3.49Å; G420-A423 PolarHBondContact O-N 3.01Å; P421-A423 VanDerWaalsContact C-N 3.26Å; P421-A423 PolarHBondContact O-N 3.24Å; A423-L425 PolarHBondContact O-N 2.7Å; A423-L445 HydrophobicContact CB-CB 3.89Å; A423-Y556 WeakPolarHBondContact O-CD1 3.2Å; A423-G562 WeakPolarHBondContact O-CA 3.38Å
424	A	91.4	Very high	92	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-72.1	-9	173.5	0	0	0	0	0	113.2	P421 N422 Y556 K557	P421-A424 WeakPolarHBondContact O-CB 3.48Å; P421-A424 PolarHBondContact O-N 3.14Å; N422-A424 PolarHBondContact O-N 3.07Å; A424-Y556 WeakPolarHBondContact O-CB 3.44Å; A424-K557 VanDerWaalsContact CB-O 3.29Å; A424-K557 WeakPolarHBondContact CB-O 3.35Å
425	L	88.1	Confident	91.9	Very high	47 Å²	47	31.3 Å²	31.3	25%	0.246	19%	0.194	C	C	.	.	S	Bend	trans	-97.2	104.8	174.4	-58.4	175.8	0	0	0	108.3	V115 N422 A423 H427 Y428	V115-L425 HydrophobicContact CB-CD2 4.06Å; V115-L425 HydrophobicContact CG1-CD2 4.38Å; V115-L425 HydrophobicContact CG2-CD2 4.24Å; N422-L425 WeakPolarHBondContact O-CB 3.5Å; N422-L425 PolarHBondContact O-N 2.8Å; N422-L425 VanDerWaalsContact O-N 3.11Å; A423-L425 PolarHBondContact O-N 2.7Å; L425-H427 PolarHBondContact O-N 3.33Å; L425-Y428 HydrophobicContact CD1-CD2 4.17Å; L425-Y428 WeakPolarHBondContact O-CB 3.49Å; L425-Y428 PolarHBondContact O-N 3.29Å; L425-Y428 VanDerWaalsContact O-N 3.14Å
426	A	82.1	Confident	91.7	Very high	8 Å²	8	35.6 Å²	35.6	7%	0.066	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.2	-168.4	0	0	0	0	0	114.3	R112 Y556 R564	R112-A426 HydrophobicContact CB-CB 4.43Å; R112-A426 HydrophobicContact CG-CB 4.08Å; A426-Y556 HydrophobicContact CB-CE1 3.99Å; A426-Y556 HydrophobicContact CB-CE2 4.23Å; A426-R564 PolarHBondContact O-NH1 3.37Å; A426-R564 PolarHBondContact O-NH2 3Å
427	H	84.1	Confident	91.7	Very high	47 Å²	47	42.8 Å²	42.8	22%	0.218	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	35.6	-176.5	-76.3	-148	0	0	0	112.7	R112 Y113 L425 S429	R112-H427 WeakPolarHBondContact CD-NE2 3.38Å; R112-H427 PolarHBondContact NH1-CE1 3.47Å; R112-H427 PolarHBondContact NH1-NE2 3.3Å; Y113-H427 HydrophobicContact CE1-CB 3.72Å; Y113-H427 AromaticContact CZ-ND1 3.52Å; Y113-H427 PolarHBondContact OH-ND1 3.47Å; L425-H427 PolarHBondContact O-N 3.33Å; H427-S429 PolarHBondContact O-N 3.42Å
428	Y	89.9	Confident	91.7	Very high	20 Å²	20	42.9 Å²	42.9	8%	0.078	24%	0.237	C	C	.	.			trans	-74.3	123.2	176.9	168	-89.6	0	0	0	112.5	E391 I416 S417 A418 N422 L425 P430 T434	E391-Y428 PolarHBondContact OE2-OH 2.94Å; I416-Y428 VanDerWaalsContact CA-O 3.3Å; I416-Y428 WeakPolarHBondContact CA-O 3.18Å; I416-Y428 WeakPolarHBondContact CB-O 3.48Å; I416-Y428 WeakPolarHBondContact CG1-O 3.36Å; I416-Y428 VanDerWaalsContact CG2-O 3.27Å; I416-Y428 WeakPolarHBondContact CG2-O 3.4Å; S417-Y428 VanDerWaalsContact O-CE1 3.3Å; S417-Y428 WeakPolarHBondContact O-CE1 3.34Å; A418-Y428 HydrophobicContact CB-CD1 3.71Å; A418-Y428 HydrophobicContact CB-CE1 4.28Å; N422-Y428 HydrophobicContact CB-CD1 4.05Å; N422-Y428 HydrophobicContact CB-CD2 4.25Å; N422-Y428 HydrophobicContact CB-CE1 4Å; N422-Y428 HydrophobicContact CB-CE2 4.17Å; N422-Y428 HydrophobicContact CB-CG 4.2Å; N422-Y428 PolarHBondContact ND2-OH 2.99Å; N422-Y428 VanDerWaalsContact ND2-OH 3.13Å; L425-Y428 HydrophobicContact CD1-CD2 4.17Å; L425-Y428 WeakPolarHBondContact O-CB 3.49Å; L425-Y428 PolarHBondContact O-N 3.29Å; L425-Y428 VanDerWaalsContact O-N 3.14Å; Y428-P430 HydrophobicContact CE1-CB 3.85Å; Y428-P430 HydrophobicContact CE1-CG 4.39Å; Y428-P430 WeakPolarHBondContact OH-CA 3.04Å; Y428-P430 WeakPolarHBondContact OH-CB 3.42Å; Y428-T434 PolarHBondContact OH-O 2.91Å
429	S	88.9	Confident	91.6	Very high	31 Å²	31	45 Å²	45	22%	0.217	25%	0.25	C	C	.	.			trans	-108.1	131.2	165.3	-57.8	0	0	0	0	110.3	E414 H427	E414-S429 VanDerWaalsContact CD-OG 3.25Å; E414-S429 WeakPolarHBondContact CG-OG 3.24Å; E414-S429 WeakPolarHBondContact OE2-CB 3.48Å; E414-S429 PolarHBondContact OE2-OG 2.86Å; H427-S429 PolarHBondContact O-N 3.42Å
430	P	91.6	Very high	91.7	Very high	9 Å²	9	46.9 Å²	46.9	6%	0.058	26%	0.261	C	S	.	.			trans	-72.3	140.4	177.4	30.2	-34.8	0	0	0	111.8	E391 L392 A395 Y428	E391-P430 HydrophobicContact CB-CB 3.76Å; E391-P430 HydrophobicContact CB-CG 4.15Å; L392-P430 HydrophobicContact CB-CB 4.21Å; L392-P430 HydrophobicContact CB-CG 4.45Å; A395-P430 HydrophobicContact CB-CG 4.26Å; Y428-P430 HydrophobicContact CE1-CB 3.85Å; Y428-P430 HydrophobicContact CE1-CG 4.39Å; Y428-P430 WeakPolarHBondContact OH-CA 3.04Å; Y428-P430 WeakPolarHBondContact OH-CB 3.42Å
431	S	89.4	Confident	91.7	Very high	54 Å²	54	53 Å²	53	38%	0.378	29%	0.289	S	S	.	.			trans	-124.2	170.1	170.2	71.1	0	0	0	0	109.9	G433 T434 S435	S431-G433 PolarHBondContact O-N 3.21Å; S431-G433 VanDerWaalsContact O-N 3.12Å; S431-G433 PolarHBondContact OG-N 3Å; S431-T434 PolarHBondContact N-OG1 3.34Å; S431-T434 PolarHBondContact O-N 3.4Å; S431-T434 VanDerWaalsContact O-N 3.09Å; S431-T434 PolarHBondContact OG-N 3.49Å; S431-T434 PolarHBondContact OG-OG1 2.96Å; S431-S435 WeakPolarHBondContact O-CB 3.49Å; S431-S435 PolarHBondContact O-N 2.87Å
432	E	88.4	Confident	91.8	Very high	186 Å²	186	53 Å²	53	87%	0.869	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-33.7	174.1	-66.2	-170.3	166.7	0	0	112.8	L392	L392-E432 HydrophobicContact CD2-CG 4.15Å
433	G	85.9	Confident	91.9	Very high	76 Å²	76	52.1 Å²	52.1	78%	0.784	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-17.6	-179.6	0	0	0	0	0	115.1	S431	S431-G433 PolarHBondContact O-N 3.21Å; S431-G433 VanDerWaalsContact O-N 3.12Å; S431-G433 PolarHBondContact OG-N 3Å
434	T	86.4	Confident	92.1	Very high	54 Å²	54	52.1 Å²	52.1	33%	0.331	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-9.3	-173.3	58.3	0	0	0	0	114.1	Y428 S431	Y428-T434 PolarHBondContact OH-O 2.91Å; S431-T434 PolarHBondContact N-OG1 3.34Å; S431-T434 PolarHBondContact O-N 3.4Å; S431-T434 VanDerWaalsContact O-N 3.09Å; S431-T434 PolarHBondContact OG-N 3.49Å; S431-T434 PolarHBondContact OG-OG1 2.96Å
435	S	93.6	Very high	92.4	Very high	32 Å²	32	51.5 Å²	51.5	22%	0.224	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-73.2	126.4	-174.5	-173	0	0	0	0	112.5	T390 E391 L392 S431	T390-S435 WeakPolarHBondContact CB-OG 3.31Å; E391-S435 WeakPolarHBondContact CB-OG 3.35Å; E391-S435 PolarHBondContact N-OG 2.73Å; E391-S435 WeakPolarHBondContact OE2-CA 3.47Å; L392-S435 WeakPolarHBondContact CB-OG 3.44Å; L392-S435 PolarHBondContact N-OG 3.33Å; S431-S435 WeakPolarHBondContact O-CB 3.49Å; S431-S435 PolarHBondContact O-N 2.87Å
436	R	94.8	Very high	92.9	Very high	94 Å²	94	49.4 Å²	49.4	36%	0.355	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-91	158	173.3	-61.2	170.6	64.9	85.1	-3.4	111.1	T390 E391 N422 E442	T390-R436 CarbonylContact C-O 3.56Å; T390-R436 WeakPolarHBondContact CA-O 3.41Å; T390-R436 WeakPolarHBondContact CB-O 3.39Å; E391-R436 HydrophobicContact CG-CB 4.41Å; E391-R436 PolarHBondContact N-O 2.86Å; E391-R436 WeakPolarHBondContact OE2-CB 3.39Å; E391-R436 PolarHBondContact OE2-N 3.31Å; N422-R436 VanDerWaalsContact CG-CD 3.48Å; N422-R436 WeakPolarHBondContact ND2-CD 3.48Å; N422-R436 WeakPolarHBondContact ND2-CG 3.26Å; R436-E442 IonicContact CZ-OE1 2.72Å; R436-E442 IonicContact NH2-OE1 3.86Å; R436-E442 PolarHBondContact NH2-OE1 3.32Å; R436-E442 IonicContact NH2-OE2 2.79Å
437	R	96.9	Very high	93.7	Very high	163 Å²	163	49.6 Å²	49.6	62%	0.615	26%	0.264	S	S	*	.	B	Isolated β-bridge	trans	-74.2	139.8	164.6	-72.5	-178.7	170.2	-127.8	1.8	109.4	G387 T390	G387-R437 PolarHBondContact O-NH1 2.83Å; T390-R437 HydrophobicContact CG2-CG 4.16Å
438	L	98	Very high	94.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-79.3	142.9	171.3	-51	-176.3	0	0	0	109.4	L380 V384 V389 E391 A394 F444 W465	L380-L438 HydrophobicContact CD2-CD1 3.78Å; V384-L438 HydrophobicContact CG1-CB 4.22Å; V384-L438 HydrophobicContact CG2-CB 3.98Å; V384-L438 HydrophobicContact CG2-CD1 4.07Å; V389-L438 HydrophobicContact CG1-CB 4.02Å; V389-L438 HydrophobicContact CG1-CD1 3.92Å; V389-L438 HydrophobicContact CG1-CG 4.17Å; V389-L438 HydrophobicContact CG2-CD1 4.19Å; V389-L438 PolarHBondContact O-N 3.23Å; E391-L438 HydrophobicContact CG-CD2 3.8Å; A394-L438 HydrophobicContact CB-CD1 4.17Å; L438-F444 HydrophobicContact CD1-CD2 4.13Å; L438-F444 HydrophobicContact CD1-CE2 3.98Å; L438-F444 HydrophobicContact CD1-CZ 4.37Å; L438-F444 HydrophobicContact CD2-CD2 3.48Å; L438-F444 VanDerWaalsContact CD2-CD2 3.48Å; L438-F444 HydrophobicContact CD2-CE2 3.66Å; L438-F444 HydrophobicContact CD2-CG 4.47Å; L438-F444 HydrophobicContact CG-CD2 4.44Å; L438-F444 HydrophobicContact CG-CE2 4.5Å; L438-W465 HydrophobicContact CD1-CH2 4.27Å
439	T	97	Very high	94.8	Very high	44 Å²	44	46.4 Å²	46.4	27%	0.27	25%	0.25	S	S	.	.			trans	-133	169.3	177.7	90.6	0	0	0	0	110.9	E441	T439-E441 VanDerWaalsContact C-N 3.31Å; T439-E441 WeakPolarHBondContact CB-OE2 3.38Å; T439-E441 PolarHBondContact OG1-N 3Å; T439-E441 PolarHBondContact OG1-OE2 2.63Å
440	V	97.3	Very high	95.3	Very high	39 Å²	39	45 Å²	45	24%	0.236	24%	0.24	C	C	.	.	S	Bend	trans	-82.9	-13.3	179.7	-60.6	0	0	0	0	112.5	V384 P385 H464 W465 G466	V384-V440 HydrophobicContact CG1-CG1 4.06Å; P385-V440 HydrophobicContact CB-CG1 4.3Å; P385-V440 HydrophobicContact CG-CG1 4.08Å; V440-H464 PolarHBondContact O-CE1 3.37Å; V440-W465 HydrophobicContact CB-CB 4.19Å; V440-W465 HydrophobicContact CG1-CB 3.98Å; V440-G466 WeakPolarHBondContact O-CA 3.33Å; V440-G466 PolarHBondContact O-N 2.05Å
441	E	96.3	Very high	95.6	Very high	132 Å²	132	44.7 Å²	44.7	62%	0.617	24%	0.238	S	C	*	.	S	Bend	trans	-90.5	-14.2	-176.2	-57.3	77.3	-172.8	0	0	113.3	T439 H464	T439-E441 VanDerWaalsContact C-N 3.31Å; T439-E441 WeakPolarHBondContact CB-OE2 3.38Å; T439-E441 PolarHBondContact OG1-N 3Å; T439-E441 PolarHBondContact OG1-OE2 2.63Å; E441-H464 PolarHBondContact O-NE2 3.27Å
442	E	96.8	Very high	96	Very high	41 Å²	41	42.1 Å²	42.1	19%	0.192	22%	0.22	C	C	.	.	S	Bend	trans	-106.5	152.5	-178.7	-66.6	-175.1	160.4	0	0	111.4	S419 R436	S419-E442 WeakPolarHBondContact CB-OE2 3.38Å; S419-E442 PolarHBondContact OG-OE2 3.14Å; R436-E442 IonicContact CZ-OE1 2.72Å; R436-E442 IonicContact NH2-OE1 3.86Å; R436-E442 PolarHBondContact NH2-OE1 3.32Å; R436-E442 IonicContact NH2-OE2 2.79Å
443	M	97.9	Very high	96.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143.2	163.5	-68.2	-176.8	74.2	0	0	109.7	G420 T462 V463 Q472 F476 F561 I563 L597	G420-M443 PolarHBondContact N-O 3.05Å; M443-T462 HydrophobicContact CB-CG2 4.46Å; M443-T462 HydrophobicContact CE-CG2 3.44Å; M443-T462 VanDerWaalsContact CE-CG2 3.44Å; M443-V463 WeakPolarHBondContact CA-O 3.49Å; M443-Q472 HydrophobicContact CG-CG 4.22Å; M443-Q472 HydrophobicContact SD-CB 3.64Å; M443-Q472 HydrophobicContact SD-CG 3.43Å; M443-Q472 WeakPolarHBondContact SD-CG 3.37Å; M443-F476 HydrophobicContact CE-CD2 4.37Å; M443-F561 HydrophobicContact CB-CB 4.3Å; M443-F561 HydrophobicContact CG-CB 4.49Å; M443-F561 HydrophobicContact SD-CB 4.11Å; M443-F561 HydrophobicContact SD-CD2 3.64Å; M443-F561 HydrophobicContact SD-CE2 4.24Å; M443-F561 HydrophobicContact SD-CG 3.9Å; M443-I563 HydrophobicContact CE-CD1 4.1Å; M443-I563 HydrophobicContact CE-CG1 3.51Å; M443-I563 HydrophobicContact SD-CG1 4.32Å; M443-L597 HydrophobicContact CE-CD1 3.69Å; M443-L597 HydrophobicContact CE-CD2 3.83Å; M443-L597 HydrophobicContact CE-CG 4.44Å; M443-L597 HydrophobicContact SD-CD2 4.39Å
444	F	98.5	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.8	173.9	174.4	-106.1	0	0	0	110.2	L380 A394 S417 A418 L438 V446 T462 V463 W465	L380-F444 HydrophobicContact CD1-CD1 4.11Å; L380-F444 HydrophobicContact CD1-CE1 3.51Å; L380-F444 HydrophobicContact CD1-CZ 4.07Å; A394-F444 HydrophobicContact CB-CE2 4.47Å; A394-F444 HydrophobicContact CB-CZ 3.94Å; S417-F444 VanDerWaalsContact OG-CE2 3.3Å; S417-F444 WeakPolarHBondContact OG-CE2 3.47Å; S417-F444 WeakPolarHBondContact OG-CZ 3.33Å; A418-F444 WeakPolarHBondContact O-CA 3.38Å; A418-F444 WeakPolarHBondContact O-CD2 3.49Å; L438-F444 HydrophobicContact CD1-CD2 4.13Å; L438-F444 HydrophobicContact CD1-CE2 3.98Å; L438-F444 HydrophobicContact CD1-CZ 4.37Å; L438-F444 HydrophobicContact CD2-CD2 3.48Å; L438-F444 VanDerWaalsContact CD2-CD2 3.48Å; L438-F444 HydrophobicContact CD2-CE2 3.66Å; L438-F444 HydrophobicContact CD2-CG 4.47Å; L438-F444 HydrophobicContact CG-CD2 4.44Å; L438-F444 HydrophobicContact CG-CE2 4.5Å; F444-V446 HydrophobicContact CE1-CB 3.69Å; F444-V446 HydrophobicContact CE1-CG1 3.93Å; F444-V446 HydrophobicContact CZ-CB 3.94Å; F444-T462 CarbonylContact O-C 3.57Å; F444-T462 VanDerWaalsContact O-CA 3.29Å; F444-T462 WeakPolarHBondContact O-CA 3.26Å; F444-V463 HydrophobicContact CB-CG2 4.07Å; F444-V463 HydrophobicContact CD1-CG2 3.92Å; F444-V463 PolarHBondContact N-O 3.4Å; F444-V463 PolarHBondContact O-N 3.35Å; F444-W465 HydrophobicContact CB-CE3 4.48Å; F444-W465 HydrophobicContact CB-CH2 3.39Å; F444-W465 HydrophobicContact CB-CZ2 4.48Å; F444-W465 HydrophobicContact CB-CZ3 3.39Å; F444-W465 AromaticContact CD1-CH2 3.45Å; F444-W465 HydrophobicContact CD1-CH2 3.45Å; F444-W465 VanDerWaalsContact CD1-CH2 3.45Å; F444-W465 HydrophobicContact CD1-CZ2 4.12Å; F444-W465 HydrophobicContact CD1-CZ3 4.35Å; F444-W465 HydrophobicContact CD2-CH2 4.37Å; F444-W465 HydrophobicContact CE1-CH2 4.3Å; F444-W465 AromaticContact CG-CH2 3.48Å; F444-W465 HydrophobicContact CG-CH2 3.48Å; F444-W465 VanDerWaalsContact CG-CH2 3.48Å; F444-W465 AromaticContact CG-CZ3 3.94Å; F444-W465 HydrophobicContact CG-CZ3 3.94Å
445	L	98.8	Very high	97.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.7	174.7	-176.1	157	0	0	0	108.4	I416 A418 A423 D447 T460 T462 R564	I416-L445 HydrophobicContact CG2-CD2 3.74Å; A418-L445 PolarHBondContact N-O 2.88Å; A418-L445 PolarHBondContact O-N 3.02Å; A423-L445 HydrophobicContact CB-CB 3.89Å; L445-D447 HydrophobicContact CD2-CB 4.11Å; L445-T460 HydrophobicContact CD1-CG2 4.4Å; L445-T460 HydrophobicContact CD2-CG2 3.88Å; L445-T460 HydrophobicContact CG-CG2 3.92Å; L445-T462 HydrophobicContact CB-CG2 4.34Å; L445-R564 HydrophobicContact CD1-CB 4Å
446	V	98.6	Very high	97.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.5	167.8	57.6	0	0	0	0	109.2	L376 L377 T415 I416 F444 T460 R461	L376-V446 HydrophobicContact CD2-CB 4.3Å; L376-V446 HydrophobicContact CD2-CG1 3.91Å; L376-V446 HydrophobicContact CD2-CG2 3.87Å; L377-V446 HydrophobicContact CD2-CG1 4.48Å; T415-V446 HydrophobicContact CG2-CG2 4.36Å; I416-V446 CarbonylContact O-C 2.89Å; I416-V446 VanDerWaalsContact O-CA 3.3Å; I416-V446 WeakPolarHBondContact O-CA 3.34Å; F444-V446 HydrophobicContact CE1-CB 3.69Å; F444-V446 HydrophobicContact CE1-CG1 3.93Å; F444-V446 HydrophobicContact CZ-CB 3.94Å; V446-T460 CarbonylContact O-C 3.41Å; V446-T460 VanDerWaalsContact O-CA 3.3Å; V446-T460 WeakPolarHBondContact O-CA 3.43Å; V446-T460 WeakPolarHBondContact O-CG2 3.15Å; V446-R461 PolarHBondContact N-O 2.86Å; V446-R461 PolarHBondContact O-N 3.18Å
447	D	98.8	Very high	97.7	Very high	12 Å²	12	22.4 Å²	22.4	6%	0.064	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.8	171.6	176.9	16	0	0	0	109	F413 I416 L445 T460 R564	F413-D447 VanDerWaalsContact CZ-OD1 3.25Å; F413-D447 WeakPolarHBondContact CZ-OD1 3.25Å; I416-D447 HydrophobicContact CB-CB 3.94Å; I416-D447 HydrophobicContact CD1-CB 4.25Å; I416-D447 HydrophobicContact CG2-CB 4.24Å; I416-D447 PolarHBondContact N-O 3.12Å; I416-D447 PolarHBondContact O-N 3.09Å; L445-D447 HydrophobicContact CD2-CB 4.11Å; D447-T460 HydrophobicContact CB-CG2 3.73Å; D447-T460 WeakPolarHBondContact CB-OG1 3.44Å; D447-T460 PolarHBondContact OD1-OG1 2.96Å; D447-T460 VanDerWaalsContact OD1-OG1 3.06Å; D447-T460 PolarHBondContact OD2-OG1 2.79Å; D447-R564 VanDerWaalsContact CG-NH2 3.31Å; D447-R564 IonicContact OD2-CZ 3.01Å; D447-R564 IonicContact OD2-NE 2.72Å; D447-R564 PolarHBondContact OD2-NE 3.26Å; D447-R564 IonicContact OD2-NH2 2.68Å; D447-R564 PolarHBondContact OD2-NH2 3.38Å
448	S	98.6	Very high	97.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.076	C	C	.	.			trans	-163.4	145.7	-167.3	68.5	0	0	0	0	111.8	R402 F413 I459	R402-S448 PolarHBondContact NH1-OG 3.38Å; R402-S448 PolarHBondContact NH2-O 3.17Å; R402-S448 PolarHBondContact NH2-OG 2.93Å; F413-S448 VanDerWaalsContact CZ-C 3.46Å; F413-S448 VanDerWaalsContact CZ-CA 3.45Å; S448-I459 PolarHBondContact N-O 2.94Å; S448-I459 VanDerWaalsContact N-O 3.14Å; S448-I459 VanDerWaalsContact O-CG2 3.31Å; S448-I459 WeakPolarHBondContact O-CG2 3.33Å; S448-I459 PolarHBondContact O-N 2.91Å
449	G	98.4	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.			trans	-143.1	170.1	175.9	0	0	0	0	0	113.4	P411 S412 T457	P411-G449 VanDerWaalsContact CA-O 3.31Å; P411-G449 WeakPolarHBondContact CA-O 3.39Å; S412-G449 PolarHBondContact N-O 3.34Å; S412-G449 VanDerWaalsContact N-O 3.11Å; S412-G449 WeakPolarHBondContact OG-CA 3.3Å; S412-G449 PolarHBondContact OG-O 2.88Å; G449-T457 VanDerWaalsContact CA-O 3.24Å; G449-T457 WeakPolarHBondContact CA-O 3.35Å
450	G	98.3	Very high	97.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.5	179.7	0	0	0	0	0	112.5	S412 T456 T457	S412-G450 PolarHBondContact OG-N 2.84Å; G450-T456 WeakPolarHBondContact O-CA 3.45Å; G450-T457 PolarHBondContact N-OG1 2.91Å; G450-T457 PolarHBondContact O-N 3.42Å
451	Q	98.3	Very high	98	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.019	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.8	160.1	-65.6	-65.6	0.9	0	0	109.3	Y253 N408 R409 G410 T456 Y526 F527	Y253-Q451 PolarHBondContact O-NE2 2.89Å; N408-Q451 CarbonylContact C-O 3.21Å; N408-Q451 WeakPolarHBondContact CA-O 3.47Å; N408-Q451 PolarHBondContact ND2-O 3.41Å; R409-Q451 HydrophobicContact CB-CB 4.01Å; R409-Q451 PolarHBondContact N-O 2.83Å; G410-Q451 PolarHBondContact O-N 3.42Å; Q451-T456 PolarHBondContact OE1-OG1 3.36Å; Q451-Y526 HydrophobicContact CB-CD2 4.16Å; Q451-Y526 HydrophobicContact CB-CE2 4.14Å; Q451-F527 PolarHBondContact NE2-O 3.12Å
452	Y	98.1	Very high	98.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.6	173	-58.1	-91.2	0	0	0	108	A365 D369 Q405 K406 D407 N408 D454 G455 T457 Y526	A365-Y452 HydrophobicContact CB-CD2 4.28Å; A365-Y452 HydrophobicContact CB-CG 4.43Å; D369-Y452 HydrophobicContact CB-CE2 4.3Å; D369-Y452 PolarHBondContact OD1-OH 2.74Å; Q405-Y452 HydrophobicContact CB-CE1 3.8Å; K406-Y452 WeakPolarHBondContact O-CD1 3.13Å; D407-Y452 CarbonylContact O-C 3.59Å; D407-Y452 WeakPolarHBondContact O-CA 3.39Å; N408-Y452 HydrophobicContact CB-CD1 4.02Å; N408-Y452 HydrophobicContact CB-CE1 3.88Å; Y452-D454 WeakPolarHBondContact CB-OD1 2.99Å; Y452-D454 PolarHBondContact O-N 2.73Å; Y452-G455 CarbonylContact C-O 3.59Å; Y452-G455 WeakPolarHBondContact CA-O 3.44Å; Y452-G455 WeakPolarHBondContact CB-O 3.47Å; Y452-G455 PolarHBondContact N-O 2.93Å; Y452-G455 PolarHBondContact O-N 3.24Å; Y452-T457 HydrophobicContact CD2-CG2 4.25Å; Y452-T457 HydrophobicContact CE2-CG2 3.93Å; Y452-Y526 WeakPolarHBondContact O-CB 3.44Å; Y452-Y526 WeakPolarHBondContact O-CD2 3.21Å
453	L	95.7	Very high	98.2	Very high	22 Å²	22	3.7 Å²	3.7	12%	0.115	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.4	174.6	-73.4	178.5	0	0	0	113.2	D407 R409 Y526	D407-L453 HydrophobicContact CB-CB 4.04Å; D407-L453 HydrophobicContact CB-CG 4.44Å; D407-L453 PolarHBondContact O-N 2.72Å; R409-L453 HydrophobicContact CG-CD2 4.22Å; R409-L453 HydrophobicContact CG-CG 4.32Å; R409-L453 VanDerWaalsContact NE-CD2 3.33Å; L453-Y526 HydrophobicContact CD2-CD1 4.1Å; L453-Y526 HydrophobicContact CD2-CE1 3.57Å
454	D	95.1	Very high	98.2	Very high	4 Å²	4	3.7 Å²	3.7	2%	0.021	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	19.9	-172.5	70.2	-23.3	0	0	0	112.7	V206 I361 R368 Y452	V206-D454 HydrophobicContact CB-CB 4.43Å; V206-D454 HydrophobicContact CG1-CB 3.77Å; I361-D454 CarbonylContact C-O 3.19Å; I361-D454 HydrophobicContact CB-CB 3.98Å; I361-D454 HydrophobicContact CD1-CB 4.04Å; I361-D454 HydrophobicContact CG1-CB 4.25Å; I361-D454 VanDerWaalsContact CG1-O 3.31Å; I361-D454 WeakPolarHBondContact CG1-O 3.5Å; R368-D454 IonicContact CZ-OD1 3.38Å; R368-D454 IonicContact CZ-OD2 3.37Å; R368-D454 IonicContact NH1-OD2 2.66Å; R368-D454 IonicContact NH2-OD1 3.71Å; R368-D454 PolarHBondContact NH2-OD1 3.02Å; R368-D454 IonicContact NH2-OD2 3.34Å; R368-D454 PolarHBondContact NH2-OD2 3.07Å; Y452-D454 WeakPolarHBondContact CB-OD1 2.99Å; Y452-D454 PolarHBondContact O-N 2.73Å
455	G	96.8	Very high	98.1	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	163.9	172.2	0	0	0	0	0	114.5	Y452 N525	Y452-G455 CarbonylContact C-O 3.59Å; Y452-G455 WeakPolarHBondContact CA-O 3.44Å; Y452-G455 WeakPolarHBondContact CB-O 3.47Å; Y452-G455 PolarHBondContact N-O 2.93Å; Y452-G455 PolarHBondContact O-N 3.24Å; G455-N525 WeakPolarHBondContact CA-OD1 3.4Å; G455-N525 PolarHBondContact N-OD1 2.94Å
456	T	98.6	Very high	98	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.9	167.7	-56.3	0	0	0	0	107.1	H366 G450 Q451 V523 G524 Y526 F527 V529	H366-T456 PolarHBondContact CE1-O 2.94Å; H366-T456 VanDerWaalsContact CE1-O 3.25Å; G450-T456 WeakPolarHBondContact O-CA 3.45Å; Q451-T456 PolarHBondContact OE1-OG1 3.36Å; T456-V523 HydrophobicContact CG2-CG1 4.36Å; T456-G524 WeakPolarHBondContact CB-O 3.35Å; T456-G524 PolarHBondContact OG1-O 3.23Å; T456-Y526 VanDerWaalsContact OG1-CA 3.27Å; T456-Y526 WeakPolarHBondContact OG1-CA 3.43Å; T456-Y526 PolarHBondContact OG1-N 3.39Å; T456-Y526 VanDerWaalsContact OG1-N 3.09Å; T456-F527 PolarHBondContact OG1-N 3.02Å; T456-F527 PolarHBondContact OG1-O 3.42Å; T456-V529 HydrophobicContact CG2-CB 4.03Å; T456-V529 HydrophobicContact CG2-CG2 4.21Å
457	T	98.8	Very high	97.9	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	8%	0.075	C	C	.	.			trans	-117.9	155.2	178.2	70.2	0	0	0	0	111.4	D369 S412 G449 G450 Y452	D369-T457 HydrophobicContact CB-CG2 3.74Å; D369-T457 PolarHBondContact OD1-OG1 3.31Å; D369-T457 PolarHBondContact OD2-OG1 3.23Å; S412-T457 PolarHBondContact OG-O 2.85Å; G449-T457 VanDerWaalsContact CA-O 3.24Å; G449-T457 WeakPolarHBondContact CA-O 3.35Å; G450-T457 PolarHBondContact N-OG1 2.91Å; G450-T457 PolarHBondContact O-N 3.42Å; Y452-T457 HydrophobicContact CD2-CG2 4.25Å; Y452-T457 HydrophobicContact CE2-CG2 3.93Å
458	D	98.8	Very high	97.9	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	8%	0.077	C	C	.	.			trans	-147	134	171.4	-154.3	-16.6	0	0	0	109.1	F413 H521 V529 I568	F413-D458 HydrophobicContact CE1-CB 4.4Å; F413-D458 WeakPolarHBondContact CE1-OD1 3.42Å; F413-D458 WeakPolarHBondContact CZ-OD1 3.45Å; D458-H521 IonicContact OD2-CE1 3.99Å; D458-H521 IonicContact OD2-NE2 3.59Å; D458-V529 HydrophobicContact CB-CG2 3.73Å; D458-V529 WeakPolarHBondContact OD2-CG2 3.12Å; D458-I568 HydrophobicContact CB-CD1 3.89Å; D458-I568 HydrophobicContact CB-CG1 4.31Å; D458-I568 WeakPolarHBondContact O-CG1 3.37Å
459	I	98.8	Very high	97.9	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.036	10%	0.099	C	C	.	.			trans	-163.4	126.5	-177.6	-170.8	172.5	0	0	0	111.7	V373 S448 V591	V373-I459 HydrophobicContact CG2-CG2 3.92Å; S448-I459 PolarHBondContact N-O 2.94Å; S448-I459 VanDerWaalsContact N-O 3.14Å; S448-I459 VanDerWaalsContact O-CG2 3.31Å; S448-I459 WeakPolarHBondContact O-CG2 3.33Å; S448-I459 PolarHBondContact O-N 2.91Å; I459-V591 HydrophobicContact CD1-CB 3.78Å; I459-V591 HydrophobicContact CD1-CG2 3.52Å
460	T	98.9	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.1	170.9	-51.8	0	0	0	0	111.9	L445 V446 D447 R564 E566	L445-T460 HydrophobicContact CD1-CG2 4.4Å; L445-T460 HydrophobicContact CD2-CG2 3.88Å; L445-T460 HydrophobicContact CG-CG2 3.92Å; V446-T460 CarbonylContact O-C 3.41Å; V446-T460 VanDerWaalsContact O-CA 3.3Å; V446-T460 WeakPolarHBondContact O-CA 3.43Å; V446-T460 WeakPolarHBondContact O-CG2 3.15Å; D447-T460 HydrophobicContact CB-CG2 3.73Å; D447-T460 WeakPolarHBondContact CB-OG1 3.44Å; D447-T460 PolarHBondContact OD1-OG1 2.96Å; D447-T460 VanDerWaalsContact OD1-OG1 3.06Å; D447-T460 PolarHBondContact OD2-OG1 2.79Å; T460-R564 HydrophobicContact CG2-CB 3.73Å; T460-R564 HydrophobicContact CG2-CG 3.86Å; T460-R564 WeakPolarHBondContact CG2-O 3.26Å; T460-R564 PolarHBondContact OG1-NE 2.9Å; T460-E566 PolarHBondContact N-OE2 2.6Å; T460-E566 PolarHBondContact O-N 3.17Å; T460-E566 PolarHBondContact OG1-OE2 2.92Å
461	R	98.9	Very high	97.8	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.9	166.8	-69.3	-65.7	177.8	-87.8	3.4	110.6	V446 E566 D567 V591 Y614	V446-R461 PolarHBondContact N-O 2.86Å; V446-R461 PolarHBondContact O-N 3.18Å; R461-E566 PolarHBondContact NH1-O 2.93Å; R461-D567 IonicContact CZ-OD1 2.82Å; R461-D567 IonicContact NH1-OD1 3.79Å; R461-D567 PolarHBondContact NH1-OD1 2.81Å; R461-D567 VanDerWaalsContact NH1-OD1 3.14Å; R461-D567 IonicContact NH2-OD1 3.41Å; R461-D567 PolarHBondContact NH2-OD1 3.13Å; R461-V591 HydrophobicContact CG-CG1 4.05Å; R461-V591 PolarHBondContact NE-O 2.99Å; R461-V591 PolarHBondContact NH2-O 2.65Å; R461-Y614 PolarHBondContact NH2-OH 3.43Å; R461-Y614 VanDerWaalsContact NH2-OH 3.1Å
462	T	98.8	Very high	97.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131	171.6	-49.1	0	0	0	0	109.3	M443 F444 L445 F476 I563 R564	M443-T462 HydrophobicContact CB-CG2 4.46Å; M443-T462 HydrophobicContact CE-CG2 3.44Å; M443-T462 VanDerWaalsContact CE-CG2 3.44Å; F444-T462 CarbonylContact O-C 3.57Å; F444-T462 VanDerWaalsContact O-CA 3.29Å; F444-T462 WeakPolarHBondContact O-CA 3.26Å; L445-T462 HydrophobicContact CB-CG2 4.34Å; T462-F476 WeakPolarHBondContact O-CE2 3.45Å; T462-I563 HydrophobicContact CG2-CG1 4.38Å; T462-R564 PolarHBondContact OG1-N 3.46Å; T462-R564 PolarHBondContact OG1-O 3.43Å
463	V	98.5	Very high	97.9	Very high	13 Å²	13	28.8 Å²	28.8	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	165.2	-173.6	-54.8	0	0	0	0	111.6	L377 M443 F444 W465 D594	L377-V463 HydrophobicContact CD2-CG1 3.99Å; M443-V463 WeakPolarHBondContact CA-O 3.49Å; F444-V463 HydrophobicContact CB-CG2 4.07Å; F444-V463 HydrophobicContact CD1-CG2 3.92Å; F444-V463 PolarHBondContact N-O 3.4Å; F444-V463 PolarHBondContact O-N 3.35Å; V463-W465 HydrophobicContact CG2-CH2 3.86Å; V463-W465 HydrophobicContact CG2-CZ2 3.53Å; V463-W465 HydrophobicContact CG2-CZ3 4.47Å; V463-D594 WeakPolarHBondContact CA-OD2 3.46Å; V463-D594 HydrophobicContact CB-CB 4.22Å; V463-D594 WeakPolarHBondContact CB-OD2 3.36Å; V463-D594 HydrophobicContact CG1-CB 4.12Å
464	H	98.1	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	126.7	175.6	-170.8	-70.6	0	0	0	110.6	V440 E441 G466 T467 P468 D594 K596 L597	V440-H464 PolarHBondContact O-CE1 3.37Å; E441-H464 PolarHBondContact O-NE2 3.27Å; H464-G466 PolarHBondContact ND1-N 2.89Å; H464-G466 VanDerWaalsContact ND1-N 3.14Å; H464-G466 PolarHBondContact ND1-O 2.84Å; H464-G466 VanDerWaalsContact ND1-O 3.14Å; H464-T467 PolarHBondContact CE1-N 2.93Å; H464-T467 PolarHBondContact CE1-O 3.5Å; H464-P468 HydrophobicContact CB-CB 4.49Å; H464-D594 PolarHBondContact N-OD2 2.77Å; H464-K596 WeakPolarHBondContact O-CE 3.5Å; H464-K596 PolarHBondContact O-NZ 2.91Å; H464-L597 HydrophobicContact CB-CD1 4.37Å; H464-L597 HydrophobicContact CB-CD2 4.01Å; H464-L597 HydrophobicContact CB-CG 4.24Å
465	W	96.5	Very high	98.2	Very high	33 Å²	33	30.1 Å²	30.1	13%	0.125	17%	0.167	C	C	.	.	S	Bend	trans	-90.3	-23.2	-174.5	-63.3	-77.8	0	0	0	115.6	L380 V384 L438 V440 F444 V463	L380-W465 HydrophobicContact CB-CH2 4.27Å; L380-W465 HydrophobicContact CB-CZ2 3.52Å; L380-W465 HydrophobicContact CD1-CH2 4.13Å; L380-W465 HydrophobicContact CD1-CZ2 3.93Å; L380-W465 HydrophobicContact CG-CZ2 4.32Å; V384-W465 HydrophobicContact CB-CD2 4.19Å; V384-W465 HydrophobicContact CB-CE3 4.19Å; V384-W465 HydrophobicContact CB-CZ3 4.49Å; V384-W465 HydrophobicContact CG1-CD2 4.11Å; V384-W465 HydrophobicContact CG1-CE3 3.7Å; V384-W465 HydrophobicContact CG1-CZ3 4.1Å; V384-W465 HydrophobicContact CG2-CD2 4.17Å; V384-W465 HydrophobicContact CG2-CE3 4.06Å; V384-W465 HydrophobicContact CG2-CH2 3.89Å; V384-W465 HydrophobicContact CG2-CZ2 4.07Å; V384-W465 HydrophobicContact CG2-CZ3 3.9Å; L438-W465 HydrophobicContact CD1-CH2 4.27Å; V440-W465 HydrophobicContact CB-CB 4.19Å; V440-W465 HydrophobicContact CG1-CB 3.98Å; F444-W465 HydrophobicContact CB-CE3 4.48Å; F444-W465 HydrophobicContact CB-CH2 3.39Å; F444-W465 HydrophobicContact CB-CZ2 4.48Å; F444-W465 HydrophobicContact CB-CZ3 3.39Å; F444-W465 AromaticContact CD1-CH2 3.45Å; F444-W465 HydrophobicContact CD1-CH2 3.45Å; F444-W465 VanDerWaalsContact CD1-CH2 3.45Å; F444-W465 HydrophobicContact CD1-CZ2 4.12Å; F444-W465 HydrophobicContact CD1-CZ3 4.35Å; F444-W465 HydrophobicContact CD2-CH2 4.37Å; F444-W465 HydrophobicContact CE1-CH2 4.3Å; F444-W465 AromaticContact CG-CH2 3.48Å; F444-W465 HydrophobicContact CG-CH2 3.48Å; F444-W465 VanDerWaalsContact CG-CH2 3.48Å; F444-W465 AromaticContact CG-CZ3 3.94Å; F444-W465 HydrophobicContact CG-CZ3 3.94Å; V463-W465 HydrophobicContact CG2-CH2 3.86Å; V463-W465 HydrophobicContact CG2-CZ2 3.53Å; V463-W465 HydrophobicContact CG2-CZ3 4.47Å
466	G	95.9	Very high	98.3	Very high	25 Å²	25	30.1 Å²	30.1	26%	0.258	17%	0.167	S	C	.	.	S	Bend	trans	-100.9	-137.1	173.7	0	0	0	0	0	112.8	V440 H464 P468	V440-G466 WeakPolarHBondContact O-CA 3.33Å; V440-G466 PolarHBondContact O-N 2.05Å; H464-G466 PolarHBondContact ND1-N 2.89Å; H464-G466 VanDerWaalsContact ND1-N 3.14Å; H464-G466 PolarHBondContact ND1-O 2.84Å; H464-G466 VanDerWaalsContact ND1-O 3.14Å; G466-P468 WeakPolarHBondContact O-CD 3.3Å
467	T	97.3	Very high	98.3	Very high	131 Å²	131	30.1 Å²	30.1	80%	0.804	17%	0.167	S	C	*	.			trans	-99.3	109.8	-180	-54.4	0	0	0	0	111.4	H464	H464-T467 PolarHBondContact CE1-N 2.93Å; H464-T467 PolarHBondContact CE1-O 3.5Å
468	P	98.1	Very high	98.3	Very high	17 Å²	17	31.4 Å²	31.4	11%	0.11	17%	0.172	C	C	.	.			trans	-70.5	149.6	176.5	29.2	-34	0	0	0	111.5	H464 G466 Q472 K473 K596 L597	H464-P468 HydrophobicContact CB-CB 4.49Å; G466-P468 WeakPolarHBondContact O-CD 3.3Å; P468-Q472 HydrophobicContact CB-CB 4.35Å; P468-K473 HydrophobicContact CB-CG 4.15Å; P468-K473 HydrophobicContact CG-CD 4.22Å; P468-K473 HydrophobicContact CG-CG 3.94Å; P468-K596 HydrophobicContact CG-CB 4.43Å; P468-K596 WeakPolarHBondContact CG-O 3.29Å; P468-L597 HydrophobicContact CB-CD2 3.59Å; P468-L597 HydrophobicContact CG-CD2 4.07Å
469	T	98.4	Very high	98.3	Very high	74 Å²	74	31.3 Å²	31.3	45%	0.454	17%	0.171	S	C	.	.			trans	-73.9	161.4	175.1	67.3	0	0	0	0	112.1	M471 Q472 K473	T469-M471 VanDerWaalsContact C-N 3.27Å; T469-M471 PolarHBondContact O-N 3.28Å; T469-Q472 PolarHBondContact O-N 3.01Å; T469-Q472 VanDerWaalsContact O-N 3.13Å; T469-Q472 VanDerWaalsContact OG1-CG 3.22Å; T469-Q472 WeakPolarHBondContact OG1-CG 3.19Å; T469-Q472 PolarHBondContact OG1-N 3Å; T469-Q472 PolarHBondContact OG1-OE1 2.63Å; T469-K473 PolarHBondContact O-N 2.93Å
470	D	98.3	Very high	98.3	Very high	140 Å²	140	31 Å²	31	75%	0.749	17%	0.17	S	C	*	.	H	α-helix	trans	-56.7	-41.5	175.6	-65.7	-21.8	0	0	0	111.9	Q472 K473 E474	D470-Q472 PolarHBondContact O-N 3.42Å; D470-K473 PolarHBondContact O-N 2.8Å; D470-E474 VanDerWaalsContact O-CB 3.29Å; D470-E474 WeakPolarHBondContact O-CB 3.16Å; D470-E474 PolarHBondContact O-N 3.08Å
471	M	98.1	Very high	98.3	Very high	64 Å²	64	31.7 Å²	31.7	32%	0.315	17%	0.173	S	C	.	.	H	α-helix	trans	-64.2	-40.1	177.4	-179.1	62	-164.1	0	0	112.4	T469 A475 L513 Y555 F561	T469-M471 VanDerWaalsContact C-N 3.27Å; T469-M471 PolarHBondContact O-N 3.28Å; M471-A475 HydrophobicContact CE-CB 4.41Å; M471-A475 VanDerWaalsContact O-CB 3.3Å; M471-A475 WeakPolarHBondContact O-CB 3.27Å; M471-A475 PolarHBondContact O-N 3.23Å; M471-L513 HydrophobicContact CE-CD1 3.97Å; M471-L513 HydrophobicContact CE-CD2 4.38Å; M471-Y555 HydrophobicContact CE-CE1 3.81Å; M471-F561 HydrophobicContact CG-CE1 4.31Å; M471-F561 HydrophobicContact CG-CZ 4.12Å
472	Q	98.7	Very high	98.3	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.051	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-42.2	177.7	-73	168	-28.3	0	0	111.2	M443 P468 T469 D470 F476 F561	M443-Q472 HydrophobicContact CG-CG 4.22Å; M443-Q472 HydrophobicContact SD-CB 3.64Å; M443-Q472 HydrophobicContact SD-CG 3.43Å; M443-Q472 WeakPolarHBondContact SD-CG 3.37Å; P468-Q472 HydrophobicContact CB-CB 4.35Å; T469-Q472 PolarHBondContact O-N 3.01Å; T469-Q472 VanDerWaalsContact O-N 3.13Å; T469-Q472 VanDerWaalsContact OG1-CG 3.22Å; T469-Q472 WeakPolarHBondContact OG1-CG 3.19Å; T469-Q472 PolarHBondContact OG1-N 3Å; T469-Q472 PolarHBondContact OG1-OE1 2.63Å; D470-Q472 PolarHBondContact O-N 3.42Å; Q472-F476 WeakPolarHBondContact O-CB 3.23Å; Q472-F476 PolarHBondContact O-N 3.48Å; Q472-F561 HydrophobicContact CG-CD1 3.74Å; Q472-F561 HydrophobicContact CG-CD2 4.34Å; Q472-F561 HydrophobicContact CG-CE1 3.61Å; Q472-F561 HydrophobicContact CG-CE2 4.24Å; Q472-F561 HydrophobicContact CG-CG 4.12Å; Q472-F561 HydrophobicContact CG-CZ 3.88Å
473	K	98.8	Very high	98.3	Very high	54 Å²	54	31.4 Å²	31.4	24%	0.235	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-45.6	175.9	-68.8	178.5	70.1	-152.6	0	112.5	P468 T469 D470 F476 T477 L597 D599	P468-K473 HydrophobicContact CB-CG 4.15Å; P468-K473 HydrophobicContact CG-CD 4.22Å; P468-K473 HydrophobicContact CG-CG 3.94Å; T469-K473 PolarHBondContact O-N 2.93Å; D470-K473 PolarHBondContact O-N 2.8Å; K473-F476 PolarHBondContact O-N 3.44Å; K473-T477 VanDerWaalsContact O-CB 3.26Å; K473-T477 WeakPolarHBondContact O-CB 3.41Å; K473-T477 PolarHBondContact O-N 3.18Å; K473-T477 PolarHBondContact O-OG1 3.47Å; K473-L597 WeakPolarHBondContact CA-O 3.37Å; K473-D599 IonicContact NZ-OD2 3.59Å
474	E	98.8	Very high	98.3	Very high	53 Å²	53	30.8 Å²	30.8	25%	0.248	17%	0.168	C	C	.	.	H	α-helix	trans	-57.4	-53.2	176.9	178.5	73.3	-171.5	0	0	110.6	D470 T477 R478 L602	D470-E474 VanDerWaalsContact O-CB 3.29Å; D470-E474 WeakPolarHBondContact O-CB 3.16Å; D470-E474 PolarHBondContact O-N 3.08Å; E474-T477 PolarHBondContact O-N 2.9Å; E474-R478 WeakPolarHBondContact O-CG 3.06Å; E474-R478 PolarHBondContact O-N 3.3Å; E474-R478 IonicContact OE1-CZ 3.13Å; E474-R478 IonicContact OE1-NE 2.68Å; E474-R478 PolarHBondContact OE1-NE 3.02Å; E474-R478 IonicContact OE1-NH2 2.71Å; E474-R478 PolarHBondContact OE1-NH2 2.93Å; E474-L602 WeakPolarHBondContact OE2-CD1 3.05Å
475	A	98.8	Very high	98.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-46	-179.3	0	0	0	0	0	111.8	M471 T477 R478 V479 Y555 F561 I563	M471-A475 HydrophobicContact CE-CB 4.41Å; M471-A475 VanDerWaalsContact O-CB 3.3Å; M471-A475 WeakPolarHBondContact O-CB 3.27Å; M471-A475 PolarHBondContact O-N 3.23Å; A475-T477 VanDerWaalsContact C-N 3.34Å; A475-T477 PolarHBondContact O-N 2.99Å; A475-R478 PolarHBondContact O-N 3.18Å; A475-V479 WeakPolarHBondContact O-CG2 3.19Å; A475-V479 PolarHBondContact O-N 2.7Å; A475-Y555 HydrophobicContact CB-CD1 3.65Å; A475-Y555 HydrophobicContact CB-CE1 4.07Å; A475-Y555 HydrophobicContact CB-CG 4.47Å; A475-F561 HydrophobicContact CB-CE2 4.22Å; A475-F561 HydrophobicContact CB-CZ 4.38Å; A475-I563 HydrophobicContact CB-CD1 3.62Å
476	F	98.9	Very high	98.4	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-44.7	179.6	-178.1	-84.5	0	0	0	111.5	M443 T462 Q472 K473 R478 V479 L480 I563 I565 L597 I598	M443-F476 HydrophobicContact CE-CD2 4.37Å; T462-F476 WeakPolarHBondContact O-CE2 3.45Å; Q472-F476 WeakPolarHBondContact O-CB 3.23Å; Q472-F476 PolarHBondContact O-N 3.48Å; K473-F476 PolarHBondContact O-N 3.44Å; F476-R478 VanDerWaalsContact C-N 3.32Å; F476-R478 PolarHBondContact O-N 2.98Å; F476-V479 PolarHBondContact O-N 3.23Å; F476-L480 HydrophobicContact CE1-CD2 4.43Å; F476-L480 WeakPolarHBondContact O-CB 3.35Å; F476-L480 PolarHBondContact O-N 3.04Å; F476-I563 HydrophobicContact CB-CD1 4Å; F476-I563 HydrophobicContact CD2-CG1 4.47Å; F476-I563 HydrophobicContact CD2-CG2 3.78Å; F476-I563 HydrophobicContact CE2-CG2 4.44Å; F476-I563 HydrophobicContact CG-CG2 4.5Å; F476-I565 HydrophobicContact CD1-CD1 4.39Å; F476-I565 HydrophobicContact CD2-CD1 4.24Å; F476-I565 HydrophobicContact CE1-CD1 3.95Å; F476-I565 HydrophobicContact CE2-CD1 3.8Å; F476-I565 HydrophobicContact CE2-CG1 4.12Å; F476-I565 HydrophobicContact CZ-CD1 3.64Å; F476-I565 HydrophobicContact CZ-CG1 4.3Å; F476-L597 HydrophobicContact CB-CB 3.98Å; F476-L597 HydrophobicContact CD1-CB 3.47Å; F476-L597 VanDerWaalsContact CD1-CB 3.47Å; F476-L597 WeakPolarHBondContact CD1-O 3.38Å; F476-L597 HydrophobicContact CD2-CB 3.86Å; F476-L597 HydrophobicContact CD2-CD1 3.59Å; F476-L597 HydrophobicContact CD2-CG 4.29Å; F476-L597 HydrophobicContact CE1-CB 3.84Å; F476-L597 HydrophobicContact CE2-CB 4.17Å; F476-L597 HydrophobicContact CE2-CD1 3.69Å; F476-L597 HydrophobicContact CG-CB 3.49Å; F476-L597 VanDerWaalsContact CG-CB 3.49Å; F476-L597 HydrophobicContact CG-CD1 4.12Å; F476-L597 HydrophobicContact CG-CG 4.34Å; F476-L597 HydrophobicContact CZ-CB 4.16Å; F476-L597 HydrophobicContact CZ-CD1 4.31Å; F476-I598 HydrophobicContact CD1-CG1 4.12Å; F476-I598 HydrophobicContact CE1-CD1 4.35Å; F476-I598 HydrophobicContact CE1-CG1 3.65Å
477	T	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-38.6	-179.6	-54.7	0	0	0	0	111.2	K473 E474 A475 L480 M481 L597 D599 L602 L603	K473-T477 VanDerWaalsContact O-CB 3.26Å; K473-T477 WeakPolarHBondContact O-CB 3.41Å; K473-T477 PolarHBondContact O-N 3.18Å; K473-T477 PolarHBondContact O-OG1 3.47Å; E474-T477 PolarHBondContact O-N 2.9Å; A475-T477 VanDerWaalsContact C-N 3.34Å; A475-T477 PolarHBondContact O-N 2.99Å; T477-L480 WeakPolarHBondContact O-CB 3.48Å; T477-L480 PolarHBondContact O-N 3.29Å; T477-M481 HydrophobicContact CG2-SD 4.47Å; T477-M481 WeakPolarHBondContact O-CG 3.31Å; T477-M481 PolarHBondContact O-N 2.64Å; T477-L597 PolarHBondContact OG1-O 3.23Å; T477-D599 WeakPolarHBondContact CG2-O 3.31Å; T477-D599 PolarHBondContact OG1-N 2.84Å; T477-L602 HydrophobicContact CG2-CB 3.84Å; T477-L602 HydrophobicContact CG2-CD1 3.93Å; T477-L602 HydrophobicContact CG2-CG 4.46Å; T477-L603 HydrophobicContact CG2-CD2 3.82Å; T477-L603 HydrophobicContact CG2-CG 4.16Å
478	R	98.9	Very high	98.5	Very high	28 Å²	28	24.8 Å²	24.8	11%	0.106	13%	0.126	C	C	.	.	H	α-helix	trans	-68.2	-38.1	175.7	-72.4	178.5	179.7	-73.8	-11.6	113.3	E474 A475 F476 L480 M481 G482 A507 L508 E510 V511	E474-R478 WeakPolarHBondContact O-CG 3.06Å; E474-R478 PolarHBondContact O-N 3.3Å; E474-R478 IonicContact OE1-CZ 3.13Å; E474-R478 IonicContact OE1-NE 2.68Å; E474-R478 PolarHBondContact OE1-NE 3.02Å; E474-R478 IonicContact OE1-NH2 2.71Å; E474-R478 PolarHBondContact OE1-NH2 2.93Å; A475-R478 PolarHBondContact O-N 3.18Å; F476-R478 VanDerWaalsContact C-N 3.32Å; F476-R478 PolarHBondContact O-N 2.98Å; R478-L480 VanDerWaalsContact C-N 3.34Å; R478-M481 HydrophobicContact CG-SD 4.39Å; R478-M481 WeakPolarHBondContact O-CB 3.49Å; R478-M481 PolarHBondContact O-N 3.35Å; R478-G482 PolarHBondContact O-N 3.43Å; R478-G482 VanDerWaalsContact O-N 3.1Å; R478-A507 HydrophobicContact CB-CB 4.15Å; R478-A507 WeakPolarHBondContact CD-O 3.33Å; R478-A507 HydrophobicContact CG-CB 4.35Å; R478-A507 PolarHBondContact NH1-O 2.78Å; R478-L508 HydrophobicContact CB-CD2 3.81Å; R478-L508 HydrophobicContact CB-CG 4.28Å; R478-E510 IonicContact NH1-OE2 3.68Å; R478-V511 VanDerWaalsContact NE-CG2 3.31Å
479	V	98.9	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-46.2	171.2	173.6	0	0	0	0	110.2	A475 F476 M481 G482 N483 L508 P553 I563 I565	A475-V479 WeakPolarHBondContact O-CG2 3.19Å; A475-V479 PolarHBondContact O-N 2.7Å; F476-V479 PolarHBondContact O-N 3.23Å; V479-M481 VanDerWaalsContact C-N 3.34Å; V479-M481 PolarHBondContact O-N 3.49Å; V479-G482 PolarHBondContact O-N 2.96Å; V479-G482 VanDerWaalsContact O-N 3.15Å; V479-N483 PolarHBondContact O-N 3.23Å; V479-N483 VanDerWaalsContact O-N 3.09Å; V479-L508 HydrophobicContact CG2-CD1 4.21Å; V479-L508 HydrophobicContact CG2-CD2 4.23Å; V479-P553 HydrophobicContact CG1-CB 4.16Å; V479-P553 HydrophobicContact CG1-CG 4.05Å; V479-P553 WeakPolarHBondContact CG1-O 3.39Å; V479-P553 WeakPolarHBondContact O-CG 3.42Å; V479-I563 HydrophobicContact CB-CG2 4.02Å; V479-I563 HydrophobicContact CG1-CG2 3.99Å; V479-I563 HydrophobicContact CG2-CB 4.42Å; V479-I563 HydrophobicContact CG2-CG2 4.01Å; V479-I565 HydrophobicContact CB-CD1 4.41Å; V479-I565 HydrophobicContact CG1-CB 4.06Å; V479-I565 HydrophobicContact CG1-CD1 4Å; V479-I565 HydrophobicContact CG1-CG1 3.9Å
480	L	98.9	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-42.2	176.7	179.1	60.2	0	0	0	111.6	F476 T477 R478 G482 N483 I484 I565 Y593 I598 L611	F476-L480 HydrophobicContact CE1-CD2 4.43Å; F476-L480 WeakPolarHBondContact O-CB 3.35Å; F476-L480 PolarHBondContact O-N 3.04Å; T477-L480 WeakPolarHBondContact O-CB 3.48Å; T477-L480 PolarHBondContact O-N 3.29Å; R478-L480 VanDerWaalsContact C-N 3.34Å; L480-G482 VanDerWaalsContact C-N 3.3Å; L480-G482 PolarHBondContact O-N 3.38Å; L480-N483 PolarHBondContact O-N 3.03Å; L480-I484 HydrophobicContact CD1-CD1 3.94Å; L480-I484 HydrophobicContact CD1-CG1 3.99Å; L480-I484 HydrophobicContact CD2-CD1 4.39Å; L480-I484 HydrophobicContact CG-CD1 3.79Å; L480-I484 HydrophobicContact CG-CG1 4.25Å; L480-I484 VanDerWaalsContact O-CG1 3.26Å; L480-I484 WeakPolarHBondContact O-CG1 3.38Å; L480-I484 PolarHBondContact O-N 3.23Å; L480-I565 HydrophobicContact CB-CD1 3.64Å; L480-I565 HydrophobicContact CD1-CD1 4.15Å; L480-I565 HydrophobicContact CD1-CG2 4.49Å; L480-I565 HydrophobicContact CG-CD1 4.45Å; L480-Y593 HydrophobicContact CD1-CD2 3.64Å; L480-Y593 HydrophobicContact CD1-CE1 4.45Å; L480-Y593 HydrophobicContact CD1-CE2 3.5Å; L480-Y593 VanDerWaalsContact CD1-CE2 3.5Å; L480-Y593 HydrophobicContact CD1-CG 4.18Å; L480-Y593 HydrophobicContact CD2-CD2 4.46Å; L480-I598 HydrophobicContact CD2-CD1 3.69Å; L480-I598 HydrophobicContact CD2-CG1 3.83Å; L480-I598 HydrophobicContact CD2-CG2 4.41Å; L480-L611 HydrophobicContact CD2-CD2 4.39Å
481	M	98.9	Very high	98.5	Very high	15 Å²	15	18.6 Å²	18.6	7%	0.074	9%	0.092	C	C	.	.	H	α-helix	trans	-56.5	-45.1	174.6	-71.9	165.9	74.1	0	0	111.3	T477 R478 V479 I484 E485 A507 L602 L603	T477-M481 HydrophobicContact CG2-SD 4.47Å; T477-M481 WeakPolarHBondContact O-CG 3.31Å; T477-M481 PolarHBondContact O-N 2.64Å; R478-M481 HydrophobicContact CG-SD 4.39Å; R478-M481 WeakPolarHBondContact O-CB 3.49Å; R478-M481 PolarHBondContact O-N 3.35Å; V479-M481 VanDerWaalsContact C-N 3.34Å; V479-M481 PolarHBondContact O-N 3.49Å; M481-I484 PolarHBondContact O-N 3.27Å; M481-E485 VanDerWaalsContact O-CB 3.32Å; M481-E485 WeakPolarHBondContact O-CB 3.44Å; M481-E485 WeakPolarHBondContact O-CG 3.37Å; M481-E485 PolarHBondContact O-N 2.94Å; M481-A507 HydrophobicContact CB-CB 3.86Å; M481-A507 HydrophobicContact CE-CB 4.12Å; M481-A507 HydrophobicContact SD-CB 4.23Å; M481-L602 HydrophobicContact SD-CB 4.38Å; M481-L603 HydrophobicContact CG-CD2 3.56Å; M481-L603 HydrophobicContact SD-CD2 4.44Å
482	G	98.7	Very high	98.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.9	-44.4	176.4	0	0	0	0	0	113.1	R478 V479 L480 E485 I486	R478-G482 PolarHBondContact O-N 3.43Å; R478-G482 VanDerWaalsContact O-N 3.1Å; V479-G482 PolarHBondContact O-N 2.96Å; V479-G482 VanDerWaalsContact O-N 3.15Å; L480-G482 VanDerWaalsContact C-N 3.3Å; L480-G482 PolarHBondContact O-N 3.38Å; G482-E485 PolarHBondContact O-N 3.04Å; G482-I486 PolarHBondContact O-N 2.77Å; G482-I486 VanDerWaalsContact O-N 3.15Å
483	N	98.8	Very high	98.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-47.8	178.5	172.6	-70.2	0	0	0	111	V479 L480 E485 I486 S487 I551 P553 I565 D567 Y593	V479-N483 PolarHBondContact O-N 3.23Å; V479-N483 VanDerWaalsContact O-N 3.09Å; L480-N483 PolarHBondContact O-N 3.03Å; N483-E485 VanDerWaalsContact C-N 3.33Å; N483-E485 PolarHBondContact O-N 2.71Å; N483-I486 PolarHBondContact O-N 3.05Å; N483-S487 WeakPolarHBondContact O-CB 3.4Å; N483-S487 PolarHBondContact O-N 3.22Å; N483-S487 PolarHBondContact O-OG 3.14Å; N483-I551 HydrophobicContact CB-CG2 4.47Å; N483-I551 PolarHBondContact ND2-O 2.84Å; N483-P553 HydrophobicContact CB-CG 3.69Å; N483-I565 HydrophobicContact CB-CG2 4.28Å; N483-I565 PolarHBondContact ND2-O 2.99Å; N483-D567 PolarHBondContact ND2-OD2 3.47Å; N483-Y593 PolarHBondContact OD1-OH 2.9Å
484	I	98.8	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.8	-44.8	177.7	-65	176.2	0	0	0	110.5	L480 M481 I486 S487 Q488 Q607 W610	L480-I484 HydrophobicContact CD1-CD1 3.94Å; L480-I484 HydrophobicContact CD1-CG1 3.99Å; L480-I484 HydrophobicContact CD2-CD1 4.39Å; L480-I484 HydrophobicContact CG-CD1 3.79Å; L480-I484 HydrophobicContact CG-CG1 4.25Å; L480-I484 VanDerWaalsContact O-CG1 3.26Å; L480-I484 WeakPolarHBondContact O-CG1 3.38Å; L480-I484 PolarHBondContact O-N 3.23Å; M481-I484 PolarHBondContact O-N 3.27Å; I484-I486 PolarHBondContact O-N 2.66Å; I484-S487 PolarHBondContact O-N 2.55Å; I484-Q488 VanDerWaalsContact O-CG 3.25Å; I484-Q488 WeakPolarHBondContact O-CG 3.34Å; I484-Q488 PolarHBondContact O-N 3.17Å; I484-Q607 HydrophobicContact CB-CG 4.5Å; I484-Q607 HydrophobicContact CD1-CB 4.33Å; I484-Q607 HydrophobicContact CG2-CB 4.18Å; I484-Q607 HydrophobicContact CG2-CG 3.82Å; I484-W610 HydrophobicContact CB-CE3 4.22Å; I484-W610 HydrophobicContact CD1-CE3 3.92Å; I484-W610 HydrophobicContact CD1-CZ3 4.23Å; I484-W610 HydrophobicContact CG1-CD2 4.3Å; I484-W610 HydrophobicContact CG1-CE3 3.54Å; I484-W610 HydrophobicContact CG1-CH2 4.38Å; I484-W610 HydrophobicContact CG1-CZ3 3.61Å; I484-W610 HydrophobicContact CG2-CB 4.06Å; I484-W610 HydrophobicContact CG2-CD2 3.8Å; I484-W610 HydrophobicContact CG2-CE3 3.87Å; I484-W610 HydrophobicContact CG2-CG 3.89Å
485	E	98.4	Very high	98	Very high	36 Å²	36	18.6 Å²	18.6	17%	0.168	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-45.3	-176.5	-72.6	-77.2	-147.8	0	0	111.8	M481 G482 N483 Q488 T489 R506	M481-E485 VanDerWaalsContact O-CB 3.32Å; M481-E485 WeakPolarHBondContact O-CB 3.44Å; M481-E485 WeakPolarHBondContact O-CG 3.37Å; M481-E485 PolarHBondContact O-N 2.94Å; G482-E485 PolarHBondContact O-N 3.04Å; N483-E485 VanDerWaalsContact C-N 3.33Å; N483-E485 PolarHBondContact O-N 2.71Å; E485-Q488 PolarHBondContact OE2-NE2 3.34Å; E485-T489 PolarHBondContact O-N 2.97Å; E485-T489 PolarHBondContact O-OG1 2.97Å; E485-R506 IonicContact OE1-CZ 3.82Å; E485-R506 IonicContact OE1-NH2 2.79Å; E485-R506 PolarHBondContact OE1-NH2 3.1Å
486	I	98.3	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-51.2	173.9	-67.7	178	0	0	0	110.1	G482 N483 I484 Q488 T489 L503 T519 F536 I551 F585	G482-I486 PolarHBondContact O-N 2.77Å; G482-I486 VanDerWaalsContact O-N 3.15Å; N483-I486 PolarHBondContact O-N 3.05Å; I484-I486 PolarHBondContact O-N 2.66Å; I486-Q488 PolarHBondContact O-N 2.8Å; I486-Q488 VanDerWaalsContact O-N 3.17Å; I486-T489 WeakPolarHBondContact O-CB 3.3Å; I486-T489 PolarHBondContact O-N 3.4Å; I486-L503 HydrophobicContact CG1-CB 3.88Å; I486-T519 HydrophobicContact CD1-CG2 3.19Å; I486-F536 HydrophobicContact CD1-CE1 4.34Å; I486-F536 HydrophobicContact CG2-CE1 4.05Å; I486-F536 HydrophobicContact CG2-CZ 3.93Å; I486-I551 HydrophobicContact CB-CD1 4.47Å; I486-I551 HydrophobicContact CB-CG2 3.88Å; I486-I551 HydrophobicContact CD1-CG2 4.28Å; I486-I551 HydrophobicContact CG2-CD1 3.71Å; I486-I551 HydrophobicContact CG2-CG1 3.92Å; I486-I551 HydrophobicContact CG2-CG2 3.9Å; I486-F585 HydrophobicContact CG2-CD2 4.3Å; I486-F585 HydrophobicContact CG2-CE2 3.94Å; I486-F585 VanDerWaalsContact O-CD2 3.24Å; I486-F585 WeakPolarHBondContact O-CD2 3.28Å
487	S	98.3	Very high	97.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-56.6	-35.7	-175.6	-61.7	0	0	0	0	113.4	N483 I484 I551	N483-S487 WeakPolarHBondContact O-CB 3.4Å; N483-S487 PolarHBondContact O-N 3.22Å; N483-S487 PolarHBondContact O-OG 3.14Å; I484-S487 PolarHBondContact O-N 2.55Å; S487-I551 WeakPolarHBondContact OG-CD1 3.32Å
488	Q	97	Very high	97.7	Very high	25 Å²	25	22.6 Å²	22.6	12%	0.117	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.1	180	76.9	-176.3	-31.2	0	0	114.6	I484 E485 I486	I484-Q488 VanDerWaalsContact O-CG 3.25Å; I484-Q488 WeakPolarHBondContact O-CG 3.34Å; I484-Q488 PolarHBondContact O-N 3.17Å; E485-Q488 PolarHBondContact OE2-NE2 3.34Å; I486-Q488 PolarHBondContact O-N 2.8Å; I486-Q488 VanDerWaalsContact O-N 3.17Å
489	T	97.6	Very high	97.6	Very high	25 Å²	25	29.9 Å²	29.9	15%	0.153	17%	0.171	C	C	.	.			trans	-69.7	135.1	-175.1	-72.9	0	0	0	0	110.7	E485 I486 F491 L503 T584	E485-T489 PolarHBondContact O-N 2.97Å; E485-T489 PolarHBondContact O-OG1 2.97Å; I486-T489 WeakPolarHBondContact O-CB 3.3Å; I486-T489 PolarHBondContact O-N 3.4Å; T489-F491 HydrophobicContact CG2-CB 4.43Å; T489-F491 HydrophobicContact CG2-CD1 4.11Å; T489-L503 HydrophobicContact CG2-CD1 3.95Å; T489-L503 VanDerWaalsContact OG1-CD1 3.3Å; T489-L503 WeakPolarHBondContact OG1-CD1 3.44Å; T489-T584 WeakPolarHBondContact O-CA 3.48Å; T489-T584 WeakPolarHBondContact O-CB 3.29Å; T489-T584 PolarHBondContact O-OG1 3.47Å
490	V	98.2	Very high	97.5	Very high	70 Å²	70	30.7 Å²	30.7	42%	0.424	18%	0.175	S	C	.	.			trans	-106.3	123.7	171.7	173.7	0	0	0	0	108.1	V574 T576 F582 L583	V490-V574 HydrophobicContact CB-CG1 4.46Å; V490-V574 HydrophobicContact CG1-CG1 3.64Å; V490-V574 HydrophobicContact CG2-CG1 4.18Å; V490-T576 HydrophobicContact CG1-CG2 3.79Å; V490-F582 HydrophobicContact CG1-CB 4.05Å; V490-F582 HydrophobicContact CG1-CD1 3.8Å; V490-F582 HydrophobicContact CG1-CG 4.27Å; V490-L583 WeakPolarHBondContact CA-O 3.48Å
491	F	98.1	Very high	97.4	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.2	-172	55.1	-87.1	0	0	0	112.2	T489 T495 I500 F543 T571 F582 L583 F585	T489-F491 HydrophobicContact CG2-CB 4.43Å; T489-F491 HydrophobicContact CG2-CD1 4.11Å; F491-T495 HydrophobicContact CD2-CG2 4.49Å; F491-I500 HydrophobicContact CD1-CD1 4.43Å; F491-I500 HydrophobicContact CE1-CD1 4.5Å; F491-F543 HydrophobicContact CE2-CB 3.94Å; F491-F543 HydrophobicContact CE2-CD2 4.29Å; F491-F543 HydrophobicContact CE2-CG 4.5Å; F491-F543 HydrophobicContact CZ-CB 4.29Å; F491-F543 HydrophobicContact CZ-CD2 4.3Å; F491-T571 HydrophobicContact CZ-CG2 4.16Å; F491-F582 VanDerWaalsContact C-CD1 3.42Å; F491-F582 CarbonylContact O-C 3.52Å; F491-F582 VanDerWaalsContact O-CA 3.31Å; F491-F582 WeakPolarHBondContact O-CA 3.1Å; F491-F582 WeakPolarHBondContact O-CD1 3.4Å; F491-L583 HydrophobicContact CD2-CB 4.07Å; F491-L583 HydrophobicContact CE1-CB 4.34Å; F491-L583 HydrophobicContact CE2-CB 3.57Å; F491-L583 HydrophobicContact CE2-CD1 3.97Å; F491-L583 HydrophobicContact CE2-CG 4.35Å; F491-L583 HydrophobicContact CZ-CB 3.73Å; F491-L583 PolarHBondContact N-O 3.37Å; F491-L583 PolarHBondContact O-N 3.41Å; F491-F585 HydrophobicContact CD1-CE2 4.27Å; F491-F585 AromaticContact CE1-CD2 3.91Å; F491-F585 HydrophobicContact CE1-CD2 3.91Å; F491-F585 HydrophobicContact CE1-CE1 4.38Å; F491-F585 AromaticContact CE1-CE2 3.38Å; F491-F585 HydrophobicContact CE1-CE2 3.38Å; F491-F585 AromaticContact CE1-CZ 3.65Å; F491-F585 HydrophobicContact CE1-CZ 3.65Å; F491-F585 HydrophobicContact CZ-CE1 4.2Å; F491-F585 AromaticContact CZ-CE2 3.97Å; F491-F585 HydrophobicContact CZ-CE2 3.97Å; F491-F585 AromaticContact CZ-CZ 3.72Å; F491-F585 HydrophobicContact CZ-CZ 3.72Å
492	P	97.4	Very high	97.3	Very high	66 Å²	66	36.7 Å²	36.7	43%	0.429	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	141.7	176.3	-21.8	33.2	0	0	0	111.8	G494 T495 F582	P492-G494 PolarHBondContact O-N 3.4Å; P492-T495 WeakPolarHBondContact O-CB 3.34Å; P492-T495 PolarHBondContact O-N 3.33Å; P492-T495 PolarHBondContact O-OG1 2.69Å; P492-F582 HydrophobicContact CB-CE1 4.44Å; P492-F582 HydrophobicContact CG-CD1 4.41Å; P492-F582 HydrophobicContact CG-CE1 3.84Å; P492-F582 HydrophobicContact CG-CZ 4.27Å
493	S	96.1	Very high	97.2	Very high	47 Å²	47	38.7 Å²	38.7	33%	0.329	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	139.4	170.4	-175.1	0	0	0	0	111	N581	S493-N581 WeakPolarHBondContact CB-OD1 3.37Å; S493-N581 PolarHBondContact N-O 2.92Å; S493-N581 VanDerWaalsContact N-O 3.08Å
494	G	93.6	Very high	97.2	Very high	49 Å²	49	38.7 Å²	38.7	51%	0.505	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	8.9	-173.6	0	0	0	0	0	114.9	P492 P542	P492-G494 PolarHBondContact O-N 3.4Å; G494-P542 WeakPolarHBondContact O-CB 3.24Å
495	T	97.4	Very high	97.2	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.129	22%	0.219	C	C	.	.			trans	-76.8	130	169.3	-57.4	0	0	0	0	110.4	F491 P492 R499 I500 F543	F491-T495 HydrophobicContact CD2-CG2 4.49Å; P492-T495 WeakPolarHBondContact O-CB 3.34Å; P492-T495 PolarHBondContact O-N 3.33Å; P492-T495 PolarHBondContact O-OG1 2.69Å; T495-R499 HydrophobicContact CG2-CB 4.11Å; T495-I500 HydrophobicContact CG2-CG2 4.1Å; T495-F543 PolarHBondContact O-N 2.85Å
496	S	96.2	Very high	97.2	Very high	20 Å²	20	42.7 Å²	42.7	14%	0.14	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-80.9	144.7	171.1	54.4	0	0	0	0	111.7	V498 R499	S496-V498 VanDerWaalsContact C-N 3.25Å; S496-V498 PolarHBondContact O-N 2.89Å; S496-R499 WeakPolarHBondContact O-CB 3.39Å; S496-R499 PolarHBondContact O-N 3.34Å
497	G	96.5	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-58	-36.3	-176.4	0	0	0	0	0	113.5	R499 I500 E501 F536	G497-R499 PolarHBondContact O-N 2.85Å; G497-I500 VanDerWaalsContact O-CG1 3.25Å; G497-I500 WeakPolarHBondContact O-CG1 3.33Å; G497-I500 PolarHBondContact O-N 3.09Å; G497-E501 PolarHBondContact O-N 3.27Å; G497-F536 WeakPolarHBondContact O-CD1 3.48Å
498	V	96.3	Very high	97.2	Very high	64 Å²	64	42.8 Å²	42.8	39%	0.388	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-53.9	-26.9	174.9	70.3	0	0	0	0	113.9	S496 I500 F536	S496-V498 VanDerWaalsContact C-N 3.25Å; S496-V498 PolarHBondContact O-N 2.89Å; V498-I500 VanDerWaalsContact C-N 3.33Å; V498-F536 WeakPolarHBondContact CA-O 3.23Å; V498-F536 WeakPolarHBondContact CB-O 3.3Å; V498-F536 PolarHBondContact N-O 3.45Å
499	R	97.1	Very high	97.3	Very high	182 Å²	182	47.8 Å²	47.8	69%	0.687	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-76.7	-18.8	178.7	-66.4	179.3	-178.1	-95.6	0.6	113.8	T495 S496 G497	T495-R499 HydrophobicContact CG2-CB 4.11Å; S496-R499 WeakPolarHBondContact O-CB 3.39Å; S496-R499 PolarHBondContact O-N 3.34Å; G497-R499 PolarHBondContact O-N 2.85Å
500	I	96.8	Very high	97.3	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.087	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-3.9	-179	61.3	169.9	0	0	0	112.6	F491 T495 G497 V498 M502 L503 F536 F543 F585	F491-I500 HydrophobicContact CD1-CD1 4.43Å; F491-I500 HydrophobicContact CE1-CD1 4.5Å; T495-I500 HydrophobicContact CG2-CG2 4.1Å; G497-I500 VanDerWaalsContact O-CG1 3.25Å; G497-I500 WeakPolarHBondContact O-CG1 3.33Å; G497-I500 PolarHBondContact O-N 3.09Å; V498-I500 VanDerWaalsContact C-N 3.33Å; I500-M502 PolarHBondContact O-N 3.42Å; I500-L503 HydrophobicContact CB-CD1 4.13Å; I500-L503 VanDerWaalsContact O-CB 3.26Å; I500-L503 WeakPolarHBondContact O-CB 3.38Å; I500-L503 VanDerWaalsContact O-CG 3.29Å; I500-L503 WeakPolarHBondContact O-CG 3.5Å; I500-L503 PolarHBondContact O-N 3.15Å; I500-F536 HydrophobicContact CD1-CE1 4.2Å; I500-F536 HydrophobicContact CG1-CD1 4.4Å; I500-F536 HydrophobicContact CG1-CE1 4.1Å; I500-F543 HydrophobicContact CD1-CE2 4.3Å; I500-F585 HydrophobicContact CD1-CE2 4Å; I500-F585 HydrophobicContact CD1-CZ 4.06Å
501	E	96.4	Very high	97.3	Very high	29 Å²	29	51.6 Å²	51.6	14%	0.136	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.4	179.5	-164.7	-81.9	166.4	0	0	113.1	G497 L503 G504 R505 T519 F536	G497-E501 PolarHBondContact O-N 3.27Å; E501-L503 PolarHBondContact O-N 3.07Å; E501-G504 PolarHBondContact O-N 3.43Å; E501-R505 IonicContact OE1-CZ 2.76Å; E501-R505 IonicContact OE1-NE 2.69Å; E501-R505 PolarHBondContact OE1-NE 2.91Å; E501-R505 IonicContact OE1-NH2 2.66Å; E501-R505 PolarHBondContact OE1-NH2 3.17Å; E501-R505 WeakPolarHBondContact OE2-CD 3.34Å; E501-R505 IonicContact OE2-NE 2.84Å; E501-R505 PolarHBondContact OE2-NE 3.19Å; E501-T519 WeakPolarHBondContact CG-OG1 3.4Å; E501-T519 PolarHBondContact OE1-OG1 3.44Å; E501-F536 HydrophobicContact CB-CB 4.22Å; E501-F536 HydrophobicContact CB-CD1 4.28Å; E501-F536 HydrophobicContact CG-CB 3.79Å; E501-F536 HydrophobicContact CG-CD1 4.49Å
502	M	97.1	Very high	97.3	Very high	111 Å²	111	54.6 Å²	54.6	55%	0.547	30%	0.295	S	S	.	.	H	α-helix	trans	-54.5	-24.6	175.9	67.4	-163.1	-91.4	0	0	114	I500 G504 R505 R506 W509	I500-M502 PolarHBondContact O-N 3.42Å; M502-G504 VanDerWaalsContact C-N 3.3Å; M502-G504 PolarHBondContact O-N 3.5Å; M502-R505 PolarHBondContact O-N 3.03Å; M502-R505 VanDerWaalsContact O-N 3.15Å; M502-R506 PolarHBondContact O-N 2.85Å; M502-W509 HydrophobicContact CB-CZ3 4.4Å
503	L	98.1	Very high	97.4	Very high	42 Å²	42	52.9 Å²	52.9	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-32.7	179	-61.5	177.3	0	0	0	112	I486 T489 I500 E501 R505	I486-L503 HydrophobicContact CG1-CB 3.88Å; T489-L503 HydrophobicContact CG2-CD1 3.95Å; T489-L503 VanDerWaalsContact OG1-CD1 3.3Å; T489-L503 WeakPolarHBondContact OG1-CD1 3.44Å; I500-L503 HydrophobicContact CB-CD1 4.13Å; I500-L503 VanDerWaalsContact O-CB 3.26Å; I500-L503 WeakPolarHBondContact O-CB 3.38Å; I500-L503 VanDerWaalsContact O-CG 3.29Å; I500-L503 WeakPolarHBondContact O-CG 3.5Å; I500-L503 PolarHBondContact O-N 3.15Å; E501-L503 PolarHBondContact O-N 3.07Å; L503-R505 PolarHBondContact O-N 2.91Å
504	G	97.9	Very high	97.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.7	-23.5	173.8	0	0	0	0	0	112.9	E501 M502	E501-G504 PolarHBondContact O-N 3.43Å; M502-G504 VanDerWaalsContact C-N 3.3Å; M502-G504 PolarHBondContact O-N 3.5Å
505	R	98.4	Very high	97.4	Very high	25 Å²	25	52.4 Å²	52.4	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-99.1	-27.2	-176.4	-58.9	-174.5	-179	-79.9	-10	114.5	E501 M502 L503 A507 L508 W509 N514 Y515 H517	E501-R505 IonicContact OE1-CZ 2.76Å; E501-R505 IonicContact OE1-NE 2.69Å; E501-R505 PolarHBondContact OE1-NE 2.91Å; E501-R505 IonicContact OE1-NH2 2.66Å; E501-R505 PolarHBondContact OE1-NH2 3.17Å; E501-R505 WeakPolarHBondContact OE2-CD 3.34Å; E501-R505 IonicContact OE2-NE 2.84Å; E501-R505 PolarHBondContact OE2-NE 3.19Å; M502-R505 PolarHBondContact O-N 3.03Å; M502-R505 VanDerWaalsContact O-N 3.15Å; L503-R505 PolarHBondContact O-N 2.91Å; R505-A507 VanDerWaalsContact C-N 3.32Å; R505-A507 PolarHBondContact O-N 2.92Å; R505-L508 WeakPolarHBondContact O-CB 3.17Å; R505-L508 PolarHBondContact O-N 3.31Å; R505-W509 HydrophobicContact CB-CD2 3.92Å; R505-W509 HydrophobicContact CB-CE3 4.44Å; R505-W509 HydrophobicContact CB-CG 4.34Å; R505-W509 HydrophobicContact CB-CH2 4.35Å; R505-W509 HydrophobicContact CB-CZ2 3.83Å; R505-W509 HydrophobicContact CG-CZ2 4.2Å; R505-W509 PolarHBondContact O-N 2.94Å; R505-N514 PolarHBondContact NH1-OD1 2.91Å; R505-Y515 HydrophobicContact CB-CE1 4.48Å; R505-Y515 HydrophobicContact CG-CE1 3.7Å; R505-Y515 VanDerWaalsContact CG-OH 3.31Å; R505-Y515 WeakPolarHBondContact CG-OH 3.3Å; R505-Y515 PolarHBondContact NH1-O 3.15Å; R505-H517 PolarHBondContact NH2-O 2.84Å
506	R	98.4	Very high	97	Very high	96 Å²	96	53.7 Å²	53.7	36%	0.362	28%	0.282	S	S	.	.	H	α-helix	trans	-47.7	-51.4	-169.4	-177.6	180	70.7	90.7	-9.3	112.9	E485 M502 L508 W509 E510	E485-R506 IonicContact OE1-CZ 3.82Å; E485-R506 IonicContact OE1-NH2 2.79Å; E485-R506 PolarHBondContact OE1-NH2 3.1Å; M502-R506 PolarHBondContact O-N 2.85Å; R506-L508 VanDerWaalsContact C-N 3.31Å; R506-L508 PolarHBondContact O-N 3.02Å; R506-W509 PolarHBondContact O-N 3.14Å; R506-E510 IonicContact CZ-OE1 3.18Å; R506-E510 IonicContact NH1-OE1 2.71Å; R506-E510 PolarHBondContact NH1-OE1 2.77Å; R506-E510 WeakPolarHBondContact O-CG 3.39Å; R506-E510 PolarHBondContact O-N 3.24Å; R506-E510 VanDerWaalsContact O-N 3.09Å
507	A	98.6	Very high	96.7	Very high	3 Å²	3	54 Å²	54	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-34.9	-177.5	0	0	0	0	0	112.7	R478 M481 R505	R478-A507 HydrophobicContact CB-CB 4.15Å; R478-A507 WeakPolarHBondContact CD-O 3.33Å; R478-A507 HydrophobicContact CG-CB 4.35Å; R478-A507 PolarHBondContact NH1-O 2.78Å; M481-A507 HydrophobicContact CB-CB 3.86Å; M481-A507 HydrophobicContact CE-CB 4.12Å; M481-A507 HydrophobicContact SD-CB 4.23Å; R505-A507 VanDerWaalsContact C-N 3.32Å; R505-A507 PolarHBondContact O-N 2.92Å
508	L	98.8	Very high	96.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-72.6	-42.3	175.1	-70.2	168.3	0	0	0	111.5	R478 V479 R505 R506 E510 V511 G512 L513 Y515 G554	R478-L508 HydrophobicContact CB-CD2 3.81Å; R478-L508 HydrophobicContact CB-CG 4.28Å; V479-L508 HydrophobicContact CG2-CD1 4.21Å; V479-L508 HydrophobicContact CG2-CD2 4.23Å; R505-L508 WeakPolarHBondContact O-CB 3.17Å; R505-L508 PolarHBondContact O-N 3.31Å; R506-L508 VanDerWaalsContact C-N 3.31Å; R506-L508 PolarHBondContact O-N 3.02Å; L508-E510 VanDerWaalsContact C-N 3.28Å; L508-E510 PolarHBondContact O-N 2.91Å; L508-V511 CarbonylContact O-C 3.45Å; L508-V511 VanDerWaalsContact O-CG2 3.23Å; L508-V511 WeakPolarHBondContact O-CG2 3.36Å; L508-V511 PolarHBondContact O-N 3.07Å; L508-V511 VanDerWaalsContact O-N 3.11Å; L508-G512 PolarHBondContact O-N 3.26Å; L508-L513 CarbonylContact C-O 3.23Å; L508-L513 VanDerWaalsContact C-O 3.23Å; L508-L513 HydrophobicContact CB-CB 4.01Å; L508-L513 WeakPolarHBondContact CB-O 3.3Å; L508-L513 HydrophobicContact CD2-CB 3.87Å; L508-L513 HydrophobicContact CD2-CD1 4.08Å; L508-L513 PolarHBondContact O-N 3.13Å; L508-Y515 HydrophobicContact CD1-CD1 3.68Å; L508-Y515 HydrophobicContact CD1-CE1 4Å; L508-G554 VanDerWaalsContact CD1-O 3.25Å; L508-G554 WeakPolarHBondContact CD1-O 3.49Å
509	W	98.6	Very high	96.5	Very high	131 Å²	131	52.2 Å²	52.2	50%	0.496	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-34.8	179.7	-72	-4.7	0	0	0	113.3	M502 R505 R506 V511 G512 L513 N514	M502-W509 HydrophobicContact CB-CZ3 4.4Å; R505-W509 HydrophobicContact CB-CD2 3.92Å; R505-W509 HydrophobicContact CB-CE3 4.44Å; R505-W509 HydrophobicContact CB-CG 4.34Å; R505-W509 HydrophobicContact CB-CH2 4.35Å; R505-W509 HydrophobicContact CB-CZ2 3.83Å; R505-W509 HydrophobicContact CG-CZ2 4.2Å; R505-W509 PolarHBondContact O-N 2.94Å; R506-W509 PolarHBondContact O-N 3.14Å; W509-V511 PolarHBondContact O-N 2.99Å; W509-G512 PolarHBondContact O-N 3.2Å; W509-L513 PolarHBondContact N-O 2.79Å; W509-N514 PolarHBondContact NE1-OD1 3.46Å; W509-N514 VanDerWaalsContact NE1-OD1 3.08Å
510	E	98.4	Very high	96.5	Very high	111 Å²	111	43.5 Å²	43.5	52%	0.519	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.2	176.3	-75.8	169.7	-172.1	0	0	113.4	R478 R506 L508	R478-E510 IonicContact NH1-OE2 3.68Å; R506-E510 IonicContact CZ-OE1 3.18Å; R506-E510 IonicContact NH1-OE1 2.71Å; R506-E510 PolarHBondContact NH1-OE1 2.77Å; R506-E510 WeakPolarHBondContact O-CG 3.39Å; R506-E510 PolarHBondContact O-N 3.24Å; R506-E510 VanDerWaalsContact O-N 3.09Å; L508-E510 VanDerWaalsContact C-N 3.28Å; L508-E510 PolarHBondContact O-N 2.91Å
511	V	98.3	Very high	96.6	Very high	63 Å²	63	43.5 Å²	43.5	38%	0.382	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	15.7	175.8	-68.6	0	0	0	0	113.3	R478 L508 W509 L513	R478-V511 VanDerWaalsContact NE-CG2 3.31Å; L508-V511 CarbonylContact O-C 3.45Å; L508-V511 VanDerWaalsContact O-CG2 3.23Å; L508-V511 WeakPolarHBondContact O-CG2 3.36Å; L508-V511 PolarHBondContact O-N 3.07Å; L508-V511 VanDerWaalsContact O-N 3.11Å; W509-V511 PolarHBondContact O-N 2.99Å; V511-L513 VanDerWaalsContact C-N 3.33Å; V511-L513 HydrophobicContact CG2-CB 4.44Å; V511-L513 HydrophobicContact CG2-CD1 4.06Å; V511-L513 HydrophobicContact CG2-CG 3.92Å; V511-L513 PolarHBondContact O-N 2.93Å
512	G	97.9	Very high	96.6	Very high	70 Å²	70	42.1 Å²	42.1	72%	0.722	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	18.7	176.9	0	0	0	0	0	115.1	L508 W509	L508-G512 PolarHBondContact O-N 3.26Å; W509-G512 PolarHBondContact O-N 3.2Å
513	L	98	Very high	96.7	Very high	29 Å²	29	36.9 Å²	36.9	15%	0.152	21%	0.209	C	C	.	.			trans	-97.5	159.6	173.9	-56.4	-175.9	0	0	0	111	M471 L508 W509 V511 Y555	M471-L513 HydrophobicContact CE-CD1 3.97Å; M471-L513 HydrophobicContact CE-CD2 4.38Å; L508-L513 CarbonylContact C-O 3.23Å; L508-L513 VanDerWaalsContact C-O 3.23Å; L508-L513 HydrophobicContact CB-CB 4.01Å; L508-L513 WeakPolarHBondContact CB-O 3.3Å; L508-L513 HydrophobicContact CD2-CB 3.87Å; L508-L513 HydrophobicContact CD2-CD1 4.08Å; L508-L513 PolarHBondContact O-N 3.13Å; W509-L513 PolarHBondContact N-O 2.79Å; V511-L513 VanDerWaalsContact C-N 3.33Å; V511-L513 HydrophobicContact CG2-CB 4.44Å; V511-L513 HydrophobicContact CG2-CD1 4.06Å; V511-L513 HydrophobicContact CG2-CG 3.92Å; V511-L513 PolarHBondContact O-N 2.93Å; L513-Y555 HydrophobicContact CB-CD2 4.02Å; L513-Y555 HydrophobicContact CB-CE2 3.92Å; L513-Y555 HydrophobicContact CD1-CD2 4.28Å; L513-Y555 HydrophobicContact CD1-CE1 4.3Å; L513-Y555 HydrophobicContact CD1-CE2 4.05Å; L513-Y555 HydrophobicContact CD2-CE2 3.67Å; L513-Y555 HydrophobicContact CG-CE2 4.07Å
514	N	96.6	Very high	96.6	Very high	80 Å²	80	34.9 Å²	34.9	43%	0.428	20%	0.199	S	C	.	.			trans	-158.9	171.1	176.6	-162.2	20.8	0	0	0	111.5	R505 W509	R505-N514 PolarHBondContact NH1-OD1 2.91Å; W509-N514 PolarHBondContact NE1-OD1 3.46Å; W509-N514 VanDerWaalsContact NE1-OD1 3.08Å
515	Y	94.4	Very high	96.4	Very high	6 Å²	6	35.5 Å²	35.5	2%	0.024	20%	0.202	C	C	.	.			trans	-126.5	147.5	169.8	53.4	-83.5	0	0	0	112.6	R505 L508 H517 T519 P553 G554	R505-Y515 HydrophobicContact CB-CE1 4.48Å; R505-Y515 HydrophobicContact CG-CE1 3.7Å; R505-Y515 VanDerWaalsContact CG-OH 3.31Å; R505-Y515 WeakPolarHBondContact CG-OH 3.3Å; R505-Y515 PolarHBondContact NH1-O 3.15Å; L508-Y515 HydrophobicContact CD1-CD1 3.68Å; L508-Y515 HydrophobicContact CD1-CE1 4Å; Y515-H517 AromaticContact CD2-CE1 3.84Å; Y515-H517 AromaticContact CD2-ND1 3.97Å; Y515-H517 AromaticContact CD2-NE2 3.93Å; Y515-H517 VanDerWaalsContact CD2-O 3.28Å; Y515-H517 WeakPolarHBondContact CD2-O 3.49Å; Y515-H517 WeakPolarHBondContact CE2-O 3.48Å; Y515-T519 PolarHBondContact OH-OG1 2.73Å; Y515-P553 HydrophobicContact CE1-CB 4.02Å; Y515-G554 VanDerWaalsContact CB-O 3.31Å; Y515-G554 WeakPolarHBondContact CB-O 3.47Å; Y515-G554 WeakPolarHBondContact CD1-O 3.43Å
516	G	87.9	Confident	96.3	Very high	49 Å²	49	35.3 Å²	35.3	51%	0.505	20%	0.201	S	C	.	.	S	Bend	trans	-91.1	13.8	-170.1	0	0	0	0	0	116.7
517	H	90.4	Very high	96.1	Very high	27 Å²	27	30.9 Å²	30.9	13%	0.125	19%	0.185	C	C	.	.	S	Bend	trans	-128.2	173.2	178.4	60.4	88.7	0	0	0	111.7	R505 Y515 E552 Y556	R505-H517 PolarHBondContact NH2-O 2.84Å; Y515-H517 AromaticContact CD2-CE1 3.84Å; Y515-H517 AromaticContact CD2-ND1 3.97Å; Y515-H517 AromaticContact CD2-NE2 3.93Å; Y515-H517 VanDerWaalsContact CD2-O 3.28Å; Y515-H517 WeakPolarHBondContact CD2-O 3.49Å; Y515-H517 WeakPolarHBondContact CE2-O 3.48Å; H517-E552 PolarHBondContact CE1-O 3Å; H517-E552 VanDerWaalsContact CE1-O 3.27Å; H517-E552 IonicContact CE1-OE2 2.83Å; H517-E552 IonicContact ND1-OE2 4Å; H517-Y556 AromaticContact CD2-CE2 3.51Å; H517-Y556 AromaticContact CD2-CZ 3.93Å; H517-Y556 AromaticContact NE2-CE2 3.28Å; H517-Y556 VanDerWaalsContact NE2-CE2 3.28Å; H517-Y556 WeakPolarHBondContact NE2-CE2 3.5Å; H517-Y556 AromaticContact NE2-CZ 3.46Å; H517-Y556 PolarHBondContact NE2-OH 3.49Å
518	G	91.8	Very high	95.9	Very high	25 Å²	25	31 Å²	31	26%	0.258	19%	0.186	S	C	.	.			trans	-67.4	161	175.2	0	0	0	0	0	112.2	G520	G518-G520 VanDerWaalsContact C-N 3.32Å
519	T	97	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-82.4	-10.3	-177.8	-58.2	0	0	0	0	113.9	I486 E501 Y515 E552	I486-T519 HydrophobicContact CD1-CG2 3.19Å; E501-T519 WeakPolarHBondContact CG-OG1 3.4Å; E501-T519 PolarHBondContact OE1-OG1 3.44Å; Y515-T519 PolarHBondContact OH-OG1 2.73Å; T519-E552 WeakPolarHBondContact O-CG 3.19Å; T519-E552 PolarHBondContact O-N 3.24Å
520	G	97.1	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.171	C	C	.	.			trans	169.9	174.2	173.3	0	0	0	0	0	112.9	G518 Q537 S550	G518-G520 VanDerWaalsContact C-N 3.32Å; G520-Q537 PolarHBondContact O-NE2 2.71Å; G520-Q537 PolarHBondContact O-OE1 2.82Å; G520-S550 WeakPolarHBondContact CA-O 3.23Å; G520-S550 VanDerWaalsContact CA-OG 3.25Å; G520-S550 WeakPolarHBondContact CA-OG 3.46Å
521	H	97.7	Very high	95.6	Very high	17 Å²	17	21.6 Å²	21.6	8%	0.079	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-142.3	162.5	-179	54.8	75.9	0	0	0	110.5	D458 V529 H530 T549 S550 E552 E566	D458-H521 IonicContact OD2-CE1 3.99Å; D458-H521 IonicContact OD2-NE2 3.59Å; H521-V529 PolarHBondContact CE1-O 3.13Å; H521-V529 PolarHBondContact ND1-O 3.48Å; H521-H530 AromaticContact CD2-CD2 3.49Å; H521-H530 PolarHBondContact CD2-CD2 2.9Å; H521-H530 VanDerWaalsContact CD2-CD2 3.49Å; H521-H530 AromaticContact CD2-NE2 3.8Å; H521-H530 AromaticContact CE1-CD2 3.32Å; H521-H530 PolarHBondContact CE1-CD2 3.25Å; H521-H530 AromaticContact CE1-NE2 3.97Å; H521-H530 AromaticContact CG-CD2 3.55Å; H521-H530 AromaticContact ND1-CD2 3.43Å; H521-H530 PolarHBondContact ND1-CD2 3.11Å; H521-H530 AromaticContact NE2-CD2 3.37Å; H521-H530 PolarHBondContact NE2-CD2 3.01Å; H521-H530 AromaticContact NE2-NE2 3.6Å; H521-T549 CarbonylContact O-C 3.57Å; H521-T549 WeakPolarHBondContact O-CA 3.48Å; H521-T549 PolarHBondContact O-OG1 3Å; H521-T549 VanDerWaalsContact O-OG1 3.14Å; H521-S550 PolarHBondContact CD2-OG 3.36Å; H521-S550 PolarHBondContact CE1-OG 3.13Å; H521-S550 PolarHBondContact N-OG 2.67Å; H521-S550 PolarHBondContact NE2-OG 2.89Å; H521-S550 PolarHBondContact O-N 3.11Å; H521-S550 PolarHBondContact O-OG 3.01Å; H521-E552 IonicContact CD2-OE1 3.1Å; H521-E552 PolarHBondContact CD2-OE1 3.45Å; H521-E552 IonicContact NE2-OE1 2.64Å; H521-E552 PolarHBondContact NE2-OE1 3.05Å; H521-E566 IonicContact NE2-OE1 2.89Å
522	G	98	Very high	95.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-64.8	158.2	170.8	0	0	0	0	0	112.8	E531 V534 F548	G522-E531 VanDerWaalsContact CA-O 3.31Å; G522-E531 WeakPolarHBondContact CA-O 3.2Å; G522-E531 PolarHBondContact O-N 3.13Å; G522-V534 PolarHBondContact N-O 3.28Å; G522-F548 VanDerWaalsContact CA-O 3.31Å; G522-F548 WeakPolarHBondContact CA-O 3.4Å
523	V	98.3	Very high	95.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.			trans	-127.6	129.8	174.5	-177.7	0	0	0	0	110.8	T456 F548 I568	T456-V523 HydrophobicContact CG2-CG1 4.36Å; V523-F548 HydrophobicContact CB-CB 4.37Å; V523-F548 PolarHBondContact N-O 2.9Å; V523-F548 VanDerWaalsContact N-O 3.16Å; V523-I568 HydrophobicContact CG2-CD1 3.54Å; V523-I568 HydrophobicContact CG2-CG1 4.28Å; V523-I568 HydrophobicContact CG2-CG2 4.49Å
524	G	96.1	Very high	95.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.			trans	-81.6	173.3	179.6	0	0	0	0	0	114.6	T456 G528	T456-G524 WeakPolarHBondContact CB-O 3.35Å; T456-G524 PolarHBondContact OG1-O 3.23Å; G524-G528 PolarHBondContact N-O 2.86Å; G524-G528 VanDerWaalsContact N-O 3.11Å
525	N	94.4	Very high	95.2	Very high	13 Å²	13	13.1 Å²	13.1	7%	0.07	8%	0.079	C	C	.	.	S	Bend	trans	-104.9	105.6	172.9	-177.6	5.6	0	0	0	111.8	R247 E358 L362 G455 F527	R247-N525 PolarHBondContact NH2-O 3.38Å; R247-N525 VanDerWaalsContact NH2-O 3.12Å; E358-N525 WeakPolarHBondContact CG-ND2 3.37Å; L362-N525 HydrophobicContact CD1-CB 3.38Å; L362-N525 WeakPolarHBondContact CD1-OD1 3.44Å; L362-N525 HydrophobicContact CD2-CB 4.48Å; G455-N525 WeakPolarHBondContact CA-OD1 3.4Å; G455-N525 PolarHBondContact N-OD1 2.94Å; N525-F527 PolarHBondContact O-N 3.24Å
526	Y	96	Very high	95.3	Very high	22 Å²	22	13 Å²	13	9%	0.086	8%	0.079	C	C	.	.	S	Bend	trans	47.2	51.3	-168.1	-173.9	-149.6	0	0	0	110.1	L202 R247 P255 R409 Q451 Y452 L453 T456	L202-Y526 HydrophobicContact CD2-CD1 3.64Å; L202-Y526 HydrophobicContact CD2-CE1 4.1Å; R247-Y526 HydrophobicContact CB-CE1 4.36Å; R247-Y526 HydrophobicContact CG-CD1 4.05Å; R247-Y526 HydrophobicContact CG-CE1 3.76Å; R247-Y526 PolarHBondContact NE-O 3.45Å; P255-Y526 HydrophobicContact CB-CD2 4.29Å; P255-Y526 HydrophobicContact CB-CE2 3.73Å; P255-Y526 HydrophobicContact CG-CD2 3.86Å; P255-Y526 HydrophobicContact CG-CE2 3.81Å; P255-Y526 HydrophobicContact CG-CG 4.42Å; P255-Y526 WeakPolarHBondContact CG-O 3.27Å; R409-Y526 HydrophobicContact CB-CE2 3.89Å; R409-Y526 HydrophobicContact CG-CE2 3.88Å; Q451-Y526 HydrophobicContact CB-CD2 4.16Å; Q451-Y526 HydrophobicContact CB-CE2 4.14Å; Y452-Y526 WeakPolarHBondContact O-CB 3.44Å; Y452-Y526 WeakPolarHBondContact O-CD2 3.21Å; L453-Y526 HydrophobicContact CD2-CD1 4.1Å; L453-Y526 HydrophobicContact CD2-CE1 3.57Å; T456-Y526 VanDerWaalsContact OG1-CA 3.27Å; T456-Y526 WeakPolarHBondContact OG1-CA 3.43Å; T456-Y526 PolarHBondContact OG1-N 3.39Å; T456-Y526 VanDerWaalsContact OG1-N 3.09Å
527	F	93.7	Very high	95.5	Very high	3 Å²	3	13.3 Å²	13.3	1%	0.013	7%	0.067	C	C	.	.	S	Bend	trans	-145.1	-164.3	-166.8	-120.4	-129.8	0	0	0	109.3	D238 A241 W242 F256 K351 Q451 T456 N525 V529	D238-F527 HydrophobicContact CB-CD1 3.95Å; D238-F527 HydrophobicContact CB-CE1 3.42Å; D238-F527 VanDerWaalsContact CB-CE1 3.42Å; D238-F527 HydrophobicContact CB-CZ 4.13Å; D238-F527 WeakPolarHBondContact O-CE1 3.49Å; D238-F527 WeakPolarHBondContact O-CZ 3.48Å; A241-F527 HydrophobicContact CB-CE2 3.77Å; A241-F527 HydrophobicContact CB-CZ 3.64Å; W242-F527 HydrophobicContact CB-CE1 4Å; W242-F527 HydrophobicContact CB-CZ 3.69Å; F256-F527 HydrophobicContact CD1-CE2 4.41Å; F256-F527 HydrophobicContact CE1-CB 4.46Å; F256-F527 AromaticContact CE1-CD1 3.77Å; F256-F527 HydrophobicContact CE1-CD1 3.77Å; F256-F527 AromaticContact CE1-CD2 3.9Å; F256-F527 HydrophobicContact CE1-CD2 3.9Å; F256-F527 AromaticContact CE1-CE1 3.89Å; F256-F527 HydrophobicContact CE1-CE1 3.89Å; F256-F527 AromaticContact CE1-CE2 3.96Å; F256-F527 HydrophobicContact CE1-CE2 3.96Å; F256-F527 AromaticContact CE1-CG 3.78Å; F256-F527 HydrophobicContact CE1-CG 3.78Å; F256-F527 AromaticContact CE1-CZ 3.96Å; F256-F527 HydrophobicContact CE1-CZ 3.96Å; F256-F527 HydrophobicContact CZ-CD1 4.19Å; F256-F527 HydrophobicContact CZ-CG 4.38Å; K351-F527 HydrophobicContact CD-CE1 4.14Å; Q451-F527 PolarHBondContact NE2-O 3.12Å; T456-F527 PolarHBondContact OG1-N 3.02Å; T456-F527 PolarHBondContact OG1-O 3.42Å; N525-F527 PolarHBondContact O-N 3.24Å; F527-V529 PolarHBondContact O-N 2.85Å
528	G	94.7	Very high	95.4	Very high	4 Å²	4	17.2 Å²	17.2	4%	0.041	10%	0.098	C	C	.	.			trans	-58.6	134.7	173.3	0	0	0	0	0	111.6	N254 F256 G524 H530	N254-G528 VanDerWaalsContact OD1-CA 3.29Å; N254-G528 WeakPolarHBondContact OD1-CA 3.11Å; F256-G528 VanDerWaalsContact CZ-N 3.33Å; G524-G528 PolarHBondContact N-O 2.86Å; G524-G528 VanDerWaalsContact N-O 3.11Å; G528-H530 VanDerWaalsContact C-N 3.26Å
529	V	97.2	Very high	95.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-65.1	-36.3	173.2	67.9	0	0	0	0	110.7	Y77 F413 T456 D458 H521 F527	Y77-V529 HydrophobicContact CE2-CG1 4.22Å; F413-V529 HydrophobicContact CB-CG1 4.49Å; F413-V529 HydrophobicContact CD1-CB 4.37Å; F413-V529 HydrophobicContact CD1-CG1 4Å; F413-V529 HydrophobicContact CD1-CG2 4.02Å; F413-V529 HydrophobicContact CE1-CG2 4.12Å; T456-V529 HydrophobicContact CG2-CB 4.03Å; T456-V529 HydrophobicContact CG2-CG2 4.21Å; D458-V529 HydrophobicContact CB-CG2 3.73Å; D458-V529 WeakPolarHBondContact OD2-CG2 3.12Å; H521-V529 PolarHBondContact CE1-O 3.13Å; H521-V529 PolarHBondContact ND1-O 3.48Å; F527-V529 PolarHBondContact O-N 2.85Å
530	H	96.3	Very high	95.2	Very high	40 Å²	40	19.3 Å²	19.3	19%	0.185	10%	0.103	C	C	.	.	S	Bend	trans	-94.7	101.8	165.4	-58.1	164.1	0	0	0	109.4	E76 H521 G528	E76-H530 IonicContact OE1-CE1 3.41Å; E76-H530 PolarHBondContact OE1-CE1 2.85Å; E76-H530 IonicContact OE1-ND1 2.84Å; E76-H530 PolarHBondContact OE1-ND1 3.11Å; E76-H530 WeakPolarHBondContact OE2-CB 3.28Å; E76-H530 IonicContact OE2-CG 2.95Å; E76-H530 IonicContact OE2-ND1 3.17Å; E76-H530 PolarHBondContact OE2-ND1 2.79Å; H521-H530 AromaticContact CD2-CD2 3.49Å; H521-H530 PolarHBondContact CD2-CD2 2.9Å; H521-H530 VanDerWaalsContact CD2-CD2 3.49Å; H521-H530 AromaticContact CD2-NE2 3.8Å; H521-H530 AromaticContact CE1-CD2 3.32Å; H521-H530 PolarHBondContact CE1-CD2 3.25Å; H521-H530 AromaticContact CE1-NE2 3.97Å; H521-H530 AromaticContact CG-CD2 3.55Å; H521-H530 AromaticContact ND1-CD2 3.43Å; H521-H530 PolarHBondContact ND1-CD2 3.11Å; H521-H530 AromaticContact NE2-CD2 3.37Å; H521-H530 PolarHBondContact NE2-CD2 3.01Å; H521-H530 AromaticContact NE2-NE2 3.6Å; G528-H530 VanDerWaalsContact C-N 3.26Å
531	E	95.6	Very high	95.2	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.028	11%	0.109	C	C	.	.			trans	-107.1	108.7	179.3	-173.4	172.5	72	0	0	112.1	K351 K354 G522	K351-E531 VanDerWaalsContact NZ-CD 3.33Å; K351-E531 VanDerWaalsContact NZ-CG 3.26Å; K351-E531 IonicContact NZ-OE2 3.24Å; K351-E531 PolarHBondContact NZ-OE2 3.34Å; K354-E531 IonicContact NZ-OE1 3.96Å; K354-E531 PolarHBondContact NZ-OE1 2.92Å; G522-E531 VanDerWaalsContact CA-O 3.31Å; G522-E531 WeakPolarHBondContact CA-O 3.2Å; G522-E531 PolarHBondContact O-N 3.13Å
532	W	93.4	Very high	95.2	Very high	60 Å²	60	22.5 Å²	22.5	23%	0.227	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	150.9	169.6	-69.6	88.6	0	0	0	111.7	Y324 Q537 N539 N540	Y324-W532 HydrophobicContact CE2-CB 3.83Å; Y324-W532 HydrophobicContact CE2-CG 4.08Å; Y324-W532 AromaticContact CZ-CD1 3.94Å; Y324-W532 AromaticContact CZ-CG 3.86Å; Y324-W532 PolarHBondContact OH-NE1 2.82Å; W532-Q537 HydrophobicContact CH2-CB 4.2Å; W532-Q537 HydrophobicContact CH2-CG 4.2Å; W532-N539 VanDerWaalsContact CZ3-OD1 3.24Å; W532-N539 WeakPolarHBondContact CZ3-OD1 3.41Å; W532-N540 VanDerWaalsContact CE3-ND2 3.3Å; W532-N540 WeakPolarHBondContact CZ3-ND2 3.31Å
533	P	95.3	Very high	95.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	cis	-105.8	30.7	7	38.9	-32.9	0	0	0	114.8	Y344 T349 N540 I541	Y344-P533 HydrophobicContact CD1-CB 3.95Å; Y344-P533 HydrophobicContact CD1-CG 4.42Å; Y344-P533 HydrophobicContact CD2-CB 3.54Å; Y344-P533 HydrophobicContact CD2-CG 3.83Å; Y344-P533 HydrophobicContact CE1-CB 3.74Å; Y344-P533 HydrophobicContact CE2-CB 3.31Å; Y344-P533 HydrophobicContact CE2-CG 4.11Å; Y344-P533 HydrophobicContact CG-CB 3.85Å; Y344-P533 HydrophobicContact CG-CG 3.99Å; Y344-P533 VanDerWaalsContact CZ-CB 3.41Å; T349-P533 HydrophobicContact CG2-CG 4.48Å; P533-N540 VanDerWaalsContact C-ND2 3.27Å; P533-N540 VanDerWaalsContact O-CA 3.28Å; P533-N540 WeakPolarHBondContact O-CA 3.34Å; P533-N540 VanDerWaalsContact O-CB 3.26Å; P533-N540 WeakPolarHBondContact O-CB 3.34Å; P533-N540 PolarHBondContact O-ND2 3.09Å; P533-I541 HydrophobicContact CB-CG1 4.41Å; P533-I541 HydrophobicContact CB-CG2 4.08Å; P533-I541 HydrophobicContact CG-CB 4.43Å; P533-I541 HydrophobicContact CG-CD1 3.73Å; P533-I541 HydrophobicContact CG-CG1 3.86Å; P533-I541 HydrophobicContact CG-CG2 3.81Å; P533-I541 PolarHBondContact O-N 3.01Å
534	V	97.1	Very high	95.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	15%	0.146	C	C	.	.			trans	-85.7	141.3	177	-177.2	0	0	0	0	109.7	A352 G522 N540 F543 M547	A352-V534 HydrophobicContact CB-CG2 3.76Å; G522-V534 PolarHBondContact N-O 3.28Å; V534-N540 VanDerWaalsContact C-ND2 3.28Å; V534-N540 PolarHBondContact O-ND2 3.35Å; V534-F543 HydrophobicContact CG1-CD1 4.1Å; V534-F543 HydrophobicContact CG1-CE1 3.63Å; V534-M547 HydrophobicContact CG1-CB 4.18Å; V534-M547 HydrophobicContact CG1-SD 4.37Å; V534-M547 HydrophobicContact CG2-CB 4.24Å; V534-M547 HydrophobicContact CG2-CE 4.2Å; V534-M547 HydrophobicContact CG2-CG 3.97Å; V534-M547 HydrophobicContact CG2-SD 3.75Å
535	G	96.4	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	154.6	-163.1	179.4	0	0	0	0	0	113.6	N540	G535-N540 WeakPolarHBondContact CA-OD1 3.5Å; G535-N540 PolarHBondContact N-ND2 2.79Å
536	F	96.8	Very high	95.4	Very high	5 Å²	5	29 Å²	29	2%	0.022	16%	0.159	C	C	.	.	S	Bend	trans	-115.9	3.9	-174.7	-63.9	-98.5	0	0	0	113.7	I486 G497 V498 I500 E501 N540 F543 T549 I551 F585	I486-F536 HydrophobicContact CD1-CE1 4.34Å; I486-F536 HydrophobicContact CG2-CE1 4.05Å; I486-F536 HydrophobicContact CG2-CZ 3.93Å; G497-F536 WeakPolarHBondContact O-CD1 3.48Å; V498-F536 WeakPolarHBondContact CA-O 3.23Å; V498-F536 WeakPolarHBondContact CB-O 3.3Å; V498-F536 PolarHBondContact N-O 3.45Å; I500-F536 HydrophobicContact CD1-CE1 4.2Å; I500-F536 HydrophobicContact CG1-CD1 4.4Å; I500-F536 HydrophobicContact CG1-CE1 4.1Å; E501-F536 HydrophobicContact CB-CB 4.22Å; E501-F536 HydrophobicContact CB-CD1 4.28Å; E501-F536 HydrophobicContact CG-CB 3.79Å; E501-F536 HydrophobicContact CG-CD1 4.49Å; F536-N540 PolarHBondContact N-OD1 3.26Å; F536-F543 HydrophobicContact CE1-CE2 4.18Å; F536-F543 HydrophobicContact CE1-CZ 4.27Å; F536-F543 HydrophobicContact CE2-CZ 4.08Å; F536-F543 HydrophobicContact CZ-CE2 4.25Å; F536-F543 AromaticContact CZ-CZ 3.92Å; F536-F543 HydrophobicContact CZ-CZ 3.92Å; F536-T549 HydrophobicContact CE2-CG2 4.47Å; F536-I551 HydrophobicContact CZ-CG1 4.49Å; F536-F585 HydrophobicContact CZ-CZ 4.48Å
537	Q	92.2	Very high	95.5	Very high	54 Å²	54	28 Å²	28	25%	0.252	15%	0.154	S	C	.	.	S	Bend	trans	-80.5	163.4	176.5	-57.7	79.5	1.1	0	0	112	G520 W532 N539 N540	G520-Q537 PolarHBondContact O-NE2 2.71Å; G520-Q537 PolarHBondContact O-OE1 2.82Å; W532-Q537 HydrophobicContact CH2-CB 4.2Å; W532-Q537 HydrophobicContact CH2-CG 4.2Å; Q537-N539 VanDerWaalsContact C-N 3.31Å; Q537-N539 PolarHBondContact O-N 3.13Å; Q537-N540 VanDerWaalsContact CA-OD1 3.23Å; Q537-N540 WeakPolarHBondContact CA-OD1 3.41Å; Q537-N540 WeakPolarHBondContact CB-OD1 3.27Å; Q537-N540 PolarHBondContact N-OD1 3.49Å; Q537-N540 PolarHBondContact O-N 3.02Å; Q537-N540 PolarHBondContact O-OD1 3Å; Q537-N540 PolarHBondContact OE1-OD1 3.26Å
538	S	88.6	Confident	95.8	Very high	110 Å²	110	28 Å²	28	77%	0.769	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.8	-172.2	54.5	0	0	0	0	114.6
539	N	89.6	Confident	95.9	Very high	58 Å²	58	27.8 Å²	27.8	31%	0.31	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-4.1	177.1	60.7	-21	0	0	0	113.2	E323 Y344 W532 Q537	E323-N539 PolarHBondContact OE2-ND2 3.16Å; Y344-N539 VanDerWaalsContact CE2-O 3.25Å; Y344-N539 WeakPolarHBondContact CE2-O 3.25Å; Y344-N539 PolarHBondContact OH-ND2 2.82Å; Y344-N539 PolarHBondContact OH-O 3.26Å; W532-N539 VanDerWaalsContact CZ3-OD1 3.24Å; W532-N539 WeakPolarHBondContact CZ3-OD1 3.41Å; Q537-N539 VanDerWaalsContact C-N 3.31Å; Q537-N539 PolarHBondContact O-N 3.13Å
540	N	95.1	Very high	96	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.059	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-68.3	150.2	176.8	-65.8	117	0	0	0	113.4	W532 P533 V534 G535 F536 Q537	W532-N540 VanDerWaalsContact CE3-ND2 3.3Å; W532-N540 WeakPolarHBondContact CZ3-ND2 3.31Å; P533-N540 VanDerWaalsContact C-ND2 3.27Å; P533-N540 VanDerWaalsContact O-CA 3.28Å; P533-N540 WeakPolarHBondContact O-CA 3.34Å; P533-N540 VanDerWaalsContact O-CB 3.26Å; P533-N540 WeakPolarHBondContact O-CB 3.34Å; P533-N540 PolarHBondContact O-ND2 3.09Å; V534-N540 VanDerWaalsContact C-ND2 3.28Å; V534-N540 PolarHBondContact O-ND2 3.35Å; G535-N540 WeakPolarHBondContact CA-OD1 3.5Å; G535-N540 PolarHBondContact N-ND2 2.79Å; F536-N540 PolarHBondContact N-OD1 3.26Å; Q537-N540 VanDerWaalsContact CA-OD1 3.23Å; Q537-N540 WeakPolarHBondContact CA-OD1 3.41Å; Q537-N540 WeakPolarHBondContact CB-OD1 3.27Å; Q537-N540 PolarHBondContact N-OD1 3.49Å; Q537-N540 PolarHBondContact O-N 3.02Å; Q537-N540 PolarHBondContact O-OD1 3Å; Q537-N540 PolarHBondContact OE1-OD1 3.26Å
541	I	96.3	Very high	96.1	Very high	27 Å²	27	25.9 Å²	25.9	14%	0.138	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-75.8	158.2	174.2	66.5	173.5	0	0	0	111.3	Y344 T349 P533 M547	Y344-I541 HydrophobicContact CD2-CG2 3.84Å; Y344-I541 HydrophobicContact CE2-CG2 4.03Å; T349-I541 HydrophobicContact CG2-CD1 4.44Å; P533-I541 HydrophobicContact CB-CG1 4.41Å; P533-I541 HydrophobicContact CB-CG2 4.08Å; P533-I541 HydrophobicContact CG-CB 4.43Å; P533-I541 HydrophobicContact CG-CD1 3.73Å; P533-I541 HydrophobicContact CG-CG1 3.86Å; P533-I541 HydrophobicContact CG-CG2 3.81Å; P533-I541 PolarHBondContact O-N 3.01Å; I541-M547 HydrophobicContact CD1-CE 3.47Å; I541-M547 VanDerWaalsContact CD1-CE 3.47Å; I541-M547 HydrophobicContact CG1-CE 4.1Å
542	P	97.5	Very high	96.3	Very high	56 Å²	56	26.7 Å²	26.7	36%	0.364	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-56	142.2	170.4	-28.2	37	0	0	0	114	G494	G494-P542 WeakPolarHBondContact O-CB 3.24Å
543	F	97.8	Very high	96.5	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-62.7	140.3	176.1	-76.7	-61.4	0	0	0	111.5	F491 T495 I500 V534 F536 M547 T549 T571 L583 F585	F491-F543 HydrophobicContact CE2-CB 3.94Å; F491-F543 HydrophobicContact CE2-CD2 4.29Å; F491-F543 HydrophobicContact CE2-CG 4.5Å; F491-F543 HydrophobicContact CZ-CB 4.29Å; F491-F543 HydrophobicContact CZ-CD2 4.3Å; T495-F543 PolarHBondContact O-N 2.85Å; I500-F543 HydrophobicContact CD1-CE2 4.3Å; V534-F543 HydrophobicContact CG1-CD1 4.1Å; V534-F543 HydrophobicContact CG1-CE1 3.63Å; F536-F543 HydrophobicContact CE1-CE2 4.18Å; F536-F543 HydrophobicContact CE1-CZ 4.27Å; F536-F543 HydrophobicContact CE2-CZ 4.08Å; F536-F543 HydrophobicContact CZ-CE2 4.25Å; F536-F543 AromaticContact CZ-CZ 3.92Å; F536-F543 HydrophobicContact CZ-CZ 3.92Å; F543-M547 HydrophobicContact CD1-SD 4.38Å; F543-T549 HydrophobicContact CE1-CG2 4.04Å; F543-T549 HydrophobicContact CZ-CG2 4.28Å; F543-T571 HydrophobicContact CB-CG2 4.27Å; F543-L583 WeakPolarHBondContact O-CD1 3.42Å; F543-F585 HydrophobicContact CD1-CE1 4.48Å; F543-F585 HydrophobicContact CD2-CE1 4.48Å; F543-F585 HydrophobicContact CD2-CZ 4.15Å; F543-F585 HydrophobicContact CE1-CE1 4.25Å; F543-F585 HydrophobicContact CE2-CE1 4.22Å; F543-F585 AromaticContact CE2-CZ 3.82Å; F543-F585 HydrophobicContact CE2-CZ 3.82Å; F543-F585 HydrophobicContact CZ-CE1 4.12Å; F543-F585 HydrophobicContact CZ-CZ 4.12Å
544	K	97.8	Very high	96.6	Very high	110 Å²	110	23.8 Å²	23.8	48%	0.478	14%	0.136	S	C	.	.			trans	-131.2	153.4	173.2	-61.6	-178.1	-179.1	177	0	108.8	V353 G546 M547 T571	V353-K544 HydrophobicContact CG2-CB 4.14Å; V353-K544 HydrophobicContact CG2-CD 4.16Å; K544-G546 PolarHBondContact O-N 3.34Å; K544-M547 HydrophobicContact CB-CE 3.89Å; K544-M547 HydrophobicContact CB-CG 4.43Å; K544-M547 HydrophobicContact CB-SD 4.06Å; K544-M547 HydrophobicContact CD-CE 4.1Å; K544-M547 HydrophobicContact CG-CE 3.97Å; K544-M547 PolarHBondContact N-SD 3.33Å; K544-M547 WeakPolarHBondContact O-CB 3.31Å; K544-M547 WeakPolarHBondContact O-CG 3.39Å; K544-M547 PolarHBondContact O-N 2.72Å; K544-T571 WeakPolarHBondContact O-CB 3.4Å; K544-T571 WeakPolarHBondContact O-CG2 3.08Å
545	A	98.2	Very high	96.7	Very high	39 Å²	39	24.9 Å²	24.9	32%	0.322	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	139.5	172.1	0	0	0	0	0	110.9	V353 T571 P573 L583	V353-A545 WeakPolarHBondContact CG1-O 3.35Å; A545-T571 CarbonylContact C-O 3.59Å; A545-T571 VanDerWaalsContact CA-O 3.26Å; A545-T571 WeakPolarHBondContact CA-O 3.42Å; A545-P573 HydrophobicContact CB-CG 3.95Å; A545-L583 HydrophobicContact CB-CD2 4.25Å
546	G	98.1	Very high	96.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	1.9	-177.8	0	0	0	0	0	115.2	K354 E359 K544 T571	K354-G546 WeakPolarHBondContact CB-O 3.42Å; K354-G546 WeakPolarHBondContact CG-O 3.39Å; K354-G546 PolarHBondContact N-O 3.21Å; E359-G546 WeakPolarHBondContact OE1-CA 3.18Å; K544-G546 PolarHBondContact O-N 3.34Å; G546-T571 PolarHBondContact N-O 3.44Å
547	M	98.6	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.			trans	-83.9	126.6	171.3	-70.1	178.8	170.8	0	0	111	A352 V353 V534 I541 F543 K544 V570 T571	A352-M547 HydrophobicContact CB-CE 4.08Å; V353-M547 HydrophobicContact CG2-CE 3.79Å; V353-M547 HydrophobicContact CG2-CG 4.15Å; V534-M547 HydrophobicContact CG1-CB 4.18Å; V534-M547 HydrophobicContact CG1-SD 4.37Å; V534-M547 HydrophobicContact CG2-CB 4.24Å; V534-M547 HydrophobicContact CG2-CE 4.2Å; V534-M547 HydrophobicContact CG2-CG 3.97Å; V534-M547 HydrophobicContact CG2-SD 3.75Å; I541-M547 HydrophobicContact CD1-CE 3.47Å; I541-M547 VanDerWaalsContact CD1-CE 3.47Å; I541-M547 HydrophobicContact CG1-CE 4.1Å; F543-M547 HydrophobicContact CD1-SD 4.38Å; K544-M547 HydrophobicContact CB-CE 3.89Å; K544-M547 HydrophobicContact CB-CG 4.43Å; K544-M547 HydrophobicContact CB-SD 4.06Å; K544-M547 HydrophobicContact CD-CE 4.1Å; K544-M547 HydrophobicContact CG-CE 3.97Å; K544-M547 PolarHBondContact N-SD 3.33Å; K544-M547 WeakPolarHBondContact O-CB 3.31Å; K544-M547 WeakPolarHBondContact O-CG 3.39Å; K544-M547 PolarHBondContact O-N 2.72Å; M547-V570 CarbonylContact O-C 3.55Å; M547-V570 WeakPolarHBondContact O-CA 3.27Å; M547-T571 PolarHBondContact O-N 3.15Å; M547-T571 PolarHBondContact O-OG1 2.9Å
548	F	98.6	Very high	96.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136	171.3	-79.1	-113.8	0	0	0	110	K354 E359 L362 R363 G522 V523 I568 A569 V570 V588	K354-F548 HydrophobicContact CB-CD2 4.45Å; K354-F548 HydrophobicContact CB-CE2 4.4Å; K354-F548 HydrophobicContact CG-CD2 3.84Å; K354-F548 HydrophobicContact CG-CE2 4.22Å; E359-F548 HydrophobicContact CB-CE2 4.28Å; E359-F548 HydrophobicContact CG-CE2 4.05Å; L362-F548 HydrophobicContact CB-CD1 4.43Å; L362-F548 HydrophobicContact CB-CE1 3.7Å; L362-F548 HydrophobicContact CB-CE2 4.47Å; L362-F548 HydrophobicContact CB-CZ 3.73Å; L362-F548 HydrophobicContact CD2-CB 4.5Å; L362-F548 HydrophobicContact CD2-CD1 3.71Å; L362-F548 HydrophobicContact CD2-CD2 3.95Å; L362-F548 HydrophobicContact CD2-CE1 3.79Å; L362-F548 HydrophobicContact CD2-CE2 4.03Å; L362-F548 HydrophobicContact CD2-CG 3.79Å; L362-F548 HydrophobicContact CD2-CZ 3.96Å; L362-F548 HydrophobicContact CG-CE1 4.32Å; L362-F548 HydrophobicContact CG-CZ 4.48Å; R363-F548 HydrophobicContact CG-CZ 4.43Å; G522-F548 VanDerWaalsContact CA-O 3.31Å; G522-F548 WeakPolarHBondContact CA-O 3.4Å; V523-F548 HydrophobicContact CB-CB 4.37Å; V523-F548 PolarHBondContact N-O 2.9Å; V523-F548 VanDerWaalsContact N-O 3.16Å; F548-I568 HydrophobicContact CB-CG2 4.44Å; F548-I568 HydrophobicContact CD1-CG2 3.76Å; F548-A569 CarbonylContact C-O 3.55Å; F548-A569 WeakPolarHBondContact CA-O 3.4Å; F548-V570 HydrophobicContact CD1-CB 4.29Å; F548-V570 HydrophobicContact CD2-CB 3.93Å; F548-V570 HydrophobicContact CD2-CG2 3.76Å; F548-V570 HydrophobicContact CE1-CB 4.14Å; F548-V570 HydrophobicContact CE2-CB 3.74Å; F548-V570 HydrophobicContact CE2-CG2 3.54Å; F548-V570 HydrophobicContact CG-CB 4.19Å; F548-V570 HydrophobicContact CG-CG2 4.48Å; F548-V570 HydrophobicContact CZ-CB 3.86Å; F548-V570 HydrophobicContact CZ-CG1 4.33Å; F548-V570 HydrophobicContact CZ-CG2 4.12Å; F548-V588 HydrophobicContact CE1-CB 4.46Å; F548-V588 HydrophobicContact CE1-CG1 4.26Å; F548-V588 HydrophobicContact CE1-CG2 3.9Å
549	T	98.4	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.2	178.9	-170.3	0	0	0	0	110.7	H521 F536 F543 I568 A569 F585	H521-T549 CarbonylContact O-C 3.57Å; H521-T549 WeakPolarHBondContact O-CA 3.48Å; H521-T549 PolarHBondContact O-OG1 3Å; H521-T549 VanDerWaalsContact O-OG1 3.14Å; F536-T549 HydrophobicContact CE2-CG2 4.47Å; F543-T549 HydrophobicContact CE1-CG2 4.04Å; F543-T549 HydrophobicContact CZ-CG2 4.28Å; T549-I568 WeakPolarHBondContact O-CA 3.46Å; T549-A569 PolarHBondContact N-O 3.47Å; T549-A569 PolarHBondContact O-N 3Å; T549-F585 HydrophobicContact CG2-CD1 4.15Å; T549-F585 HydrophobicContact CG2-CE1 3.86Å
550	S	98.6	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	154.1	162.1	63.2	0	0	0	0	110.6	G520 H521 E552 E566 D567	G520-S550 WeakPolarHBondContact CA-O 3.23Å; G520-S550 VanDerWaalsContact CA-OG 3.25Å; G520-S550 WeakPolarHBondContact CA-OG 3.46Å; H521-S550 PolarHBondContact CD2-OG 3.36Å; H521-S550 PolarHBondContact CE1-OG 3.13Å; H521-S550 PolarHBondContact N-OG 2.67Å; H521-S550 PolarHBondContact NE2-OG 2.89Å; H521-S550 PolarHBondContact O-N 3.11Å; H521-S550 PolarHBondContact O-OG 3.01Å; S550-E552 PolarHBondContact OG-OE1 3.04Å; S550-E566 WeakPolarHBondContact CB-OE1 3.46Å; S550-D567 CarbonylContact C-O 3.54Å; S550-D567 WeakPolarHBondContact CA-O 3.26Å
551	I	98.7	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	100.2	168.2	-59.6	169.3	0	0	0	105.9	N483 I486 S487 F536 E566 D567 A569 F585	N483-I551 HydrophobicContact CB-CG2 4.47Å; N483-I551 PolarHBondContact ND2-O 2.84Å; I486-I551 HydrophobicContact CB-CD1 4.47Å; I486-I551 HydrophobicContact CB-CG2 3.88Å; I486-I551 HydrophobicContact CD1-CG2 4.28Å; I486-I551 HydrophobicContact CG2-CD1 3.71Å; I486-I551 HydrophobicContact CG2-CG1 3.92Å; I486-I551 HydrophobicContact CG2-CG2 3.9Å; S487-I551 WeakPolarHBondContact OG-CD1 3.32Å; F536-I551 HydrophobicContact CZ-CG1 4.49Å; I551-E566 WeakPolarHBondContact O-CA 3.34Å; I551-D567 PolarHBondContact N-O 2.67Å; I551-D567 PolarHBondContact O-N 2.88Å; I551-D567 VanDerWaalsContact O-N 3.17Å; I551-A569 HydrophobicContact CD1-CB 4Å; I551-F585 HydrophobicContact CD1-CB 4.46Å; I551-F585 HydrophobicContact CD1-CG 4.31Å
552	E	98.3	Very high	96.7	Very high	23 Å²	23	33.1 Å²	33.1	11%	0.107	17%	0.167	C	C	.	.			trans	-133.4	52.4	-161.9	53.2	158.7	148.5	0	0	114	H517 T519 H521 S550 R564 I565 E566	H517-E552 PolarHBondContact CE1-O 3Å; H517-E552 VanDerWaalsContact CE1-O 3.27Å; H517-E552 IonicContact CE1-OE2 2.83Å; H517-E552 IonicContact ND1-OE2 4Å; T519-E552 WeakPolarHBondContact O-CG 3.19Å; T519-E552 PolarHBondContact O-N 3.24Å; H521-E552 IonicContact CD2-OE1 3.1Å; H521-E552 PolarHBondContact CD2-OE1 3.45Å; H521-E552 IonicContact NE2-OE1 2.64Å; H521-E552 PolarHBondContact NE2-OE1 3.05Å; S550-E552 PolarHBondContact OG-OE1 3.04Å; E552-R564 HydrophobicContact CB-CG 4.38Å; E552-I565 WeakPolarHBondContact CA-O 3.25Å; E552-E566 HydrophobicContact CB-CB 3.57Å; E552-E566 HydrophobicContact CB-CG 3.72Å
553	P	98.4	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.			trans	-59.1	154.8	173.6	29	-36.1	0	0	0	111.4	V479 N483 Y515 I565	V479-P553 HydrophobicContact CG1-CB 4.16Å; V479-P553 HydrophobicContact CG1-CG 4.05Å; V479-P553 WeakPolarHBondContact CG1-O 3.39Å; V479-P553 WeakPolarHBondContact O-CG 3.42Å; N483-P553 HydrophobicContact CB-CG 3.69Å; Y515-P553 HydrophobicContact CE1-CB 4.02Å; P553-I565 WeakPolarHBondContact CD-O 3.29Å; P553-I565 PolarHBondContact O-N 3.27Å; P553-I565 VanDerWaalsContact O-N 3.13Å
554	G	97.8	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	178.9	179.5	0	0	0	0	0	113.9	L508 Y515 I563	L508-G554 VanDerWaalsContact CD1-O 3.25Å; L508-G554 WeakPolarHBondContact CD1-O 3.49Å; Y515-G554 VanDerWaalsContact CB-O 3.31Å; Y515-G554 WeakPolarHBondContact CB-O 3.47Å; Y515-G554 WeakPolarHBondContact CD1-O 3.43Å; G554-I563 CarbonylContact C-O 3.57Å; G554-I563 WeakPolarHBondContact CA-O 3.5Å
555	Y	98	Very high	96.8	Very high	26 Å²	26	25.5 Å²	25.5	10%	0.102	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	132.8	168.1	173.1	-110.3	0	0	0	108.9	M471 A475 L513 K557 F561 G562 I563	M471-Y555 HydrophobicContact CE-CE1 3.81Å; A475-Y555 HydrophobicContact CB-CD1 3.65Å; A475-Y555 HydrophobicContact CB-CE1 4.07Å; A475-Y555 HydrophobicContact CB-CG 4.47Å; L513-Y555 HydrophobicContact CB-CD2 4.02Å; L513-Y555 HydrophobicContact CB-CE2 3.92Å; L513-Y555 HydrophobicContact CD1-CD2 4.28Å; L513-Y555 HydrophobicContact CD1-CE1 4.3Å; L513-Y555 HydrophobicContact CD1-CE2 4.05Å; L513-Y555 HydrophobicContact CD2-CE2 3.67Å; L513-Y555 HydrophobicContact CG-CE2 4.07Å; Y555-K557 HydrophobicContact CE1-CB 3.85Å; Y555-F561 HydrophobicContact CD1-CE2 4.09Å; Y555-F561 HydrophobicContact CE1-CE2 4.16Å; Y555-F561 HydrophobicContact CE1-CZ 4.18Å; Y555-G562 CarbonylContact O-C 3.52Å; Y555-G562 WeakPolarHBondContact O-CA 3.07Å; Y555-I563 PolarHBondContact N-O 2.99Å; Y555-I563 PolarHBondContact O-N 3.31Å
556	Y	95.4	Very high	96.8	Very high	41 Å²	41	23.7 Å²	23.7	16%	0.161	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	110.3	-174.5	-50.9	-81.4	0	0	0	109.3	A423 A424 A426 H517 R564	A423-Y556 WeakPolarHBondContact O-CD1 3.2Å; A424-Y556 WeakPolarHBondContact O-CB 3.44Å; A426-Y556 HydrophobicContact CB-CE1 3.99Å; A426-Y556 HydrophobicContact CB-CE2 4.23Å; H517-Y556 AromaticContact CD2-CE2 3.51Å; H517-Y556 AromaticContact CD2-CZ 3.93Å; H517-Y556 AromaticContact NE2-CE2 3.28Å; H517-Y556 VanDerWaalsContact NE2-CE2 3.28Å; H517-Y556 WeakPolarHBondContact NE2-CE2 3.5Å; H517-Y556 AromaticContact NE2-CZ 3.46Å; H517-Y556 PolarHBondContact NE2-OH 3.49Å; Y556-R564 PolarHBondContact OH-NH1 2.93Å
557	K	94.5	Very high	96.9	Very high	72 Å²	72	23.6 Å²	23.6	31%	0.313	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.5	176.2	-170.3	177.5	173.2	-156	0	108.5	A424 Y555 N559 D560 F561	A424-K557 VanDerWaalsContact CB-O 3.29Å; A424-K557 WeakPolarHBondContact CB-O 3.35Å; Y555-K557 HydrophobicContact CE1-CB 3.85Å; K557-N559 PolarHBondContact O-N 2.85Å; K557-D560 HydrophobicContact CB-CB 4.28Å; K557-D560 HydrophobicContact CD-CB 4.03Å; K557-D560 WeakPolarHBondContact CD-OD2 3.25Å; K557-D560 VanDerWaalsContact CE-OD2 3.3Å; K557-D560 WeakPolarHBondContact CE-OD2 3.3Å; K557-D560 HydrophobicContact CG-CB 4.01Å; K557-D560 IonicContact NZ-OD2 2.75Å; K557-D560 PolarHBondContact NZ-OD2 3.29Å; K557-D560 PolarHBondContact O-N 3.4Å; K557-F561 HydrophobicContact CB-CD1 4.47Å; K557-F561 HydrophobicContact CB-CE1 4.28Å; K557-F561 HydrophobicContact CB-CZ 4.35Å; K557-F561 HydrophobicContact CD-CD1 4.37Å; K557-F561 HydrophobicContact CD-CE1 3.74Å; K557-F561 HydrophobicContact CD-CZ 4.18Å; K557-F561 PolarHBondContact N-O 3.44Å; K557-F561 PolarHBondContact O-N 2.95Å
558	E	88.2	Confident	96.9	Very high	143 Å²	143	23.6 Å²	23.6	67%	0.668	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	134.2	-175.5	-158	-166.1	145.3	0	0	111.7	D560	E558-D560 PolarHBondContact O-N 3.21Å
559	N	87.7	Confident	96.9	Very high	121 Å²	121	23.5 Å²	23.5	65%	0.647	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	13.9	179.5	-53	-59.4	0	0	0	115.6	K557	K557-N559 PolarHBondContact O-N 2.85Å
560	D	94.6	Very high	96.9	Very high	59 Å²	59	23.5 Å²	23.5	32%	0.316	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-78.4	-177	-167.1	-1.8	0	0	0	112	G420 P421 K557 E558	G420-D560 CarbonylContact C-O 3.59Å; G420-D560 WeakPolarHBondContact CA-O 3.3Å; P421-D560 WeakPolarHBondContact CA-O 3.37Å; P421-D560 WeakPolarHBondContact CD-O 3.39Å; K557-D560 HydrophobicContact CB-CB 4.28Å; K557-D560 HydrophobicContact CD-CB 4.03Å; K557-D560 WeakPolarHBondContact CD-OD2 3.25Å; K557-D560 VanDerWaalsContact CE-OD2 3.3Å; K557-D560 WeakPolarHBondContact CE-OD2 3.3Å; K557-D560 HydrophobicContact CG-CB 4.01Å; K557-D560 IonicContact NZ-OD2 2.75Å; K557-D560 PolarHBondContact NZ-OD2 3.29Å; K557-D560 PolarHBondContact O-N 3.4Å; E558-D560 PolarHBondContact O-N 3.21Å
561	F	97.1	Very high	96.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.3	-179.7	65.4	-93	0	0	0	111.3	M443 M471 Q472 A475 Y555 K557 I563	M443-F561 HydrophobicContact CB-CB 4.3Å; M443-F561 HydrophobicContact CG-CB 4.49Å; M443-F561 HydrophobicContact SD-CB 4.11Å; M443-F561 HydrophobicContact SD-CD2 3.64Å; M443-F561 HydrophobicContact SD-CE2 4.24Å; M443-F561 HydrophobicContact SD-CG 3.9Å; M471-F561 HydrophobicContact CG-CE1 4.31Å; M471-F561 HydrophobicContact CG-CZ 4.12Å; Q472-F561 HydrophobicContact CG-CD1 3.74Å; Q472-F561 HydrophobicContact CG-CD2 4.34Å; Q472-F561 HydrophobicContact CG-CE1 3.61Å; Q472-F561 HydrophobicContact CG-CE2 4.24Å; Q472-F561 HydrophobicContact CG-CG 4.12Å; Q472-F561 HydrophobicContact CG-CZ 3.88Å; A475-F561 HydrophobicContact CB-CE2 4.22Å; A475-F561 HydrophobicContact CB-CZ 4.38Å; Y555-F561 HydrophobicContact CD1-CE2 4.09Å; Y555-F561 HydrophobicContact CE1-CE2 4.16Å; Y555-F561 HydrophobicContact CE1-CZ 4.18Å; K557-F561 HydrophobicContact CB-CD1 4.47Å; K557-F561 HydrophobicContact CB-CE1 4.28Å; K557-F561 HydrophobicContact CB-CZ 4.35Å; K557-F561 HydrophobicContact CD-CD1 4.37Å; K557-F561 HydrophobicContact CD-CE1 3.74Å; K557-F561 HydrophobicContact CD-CZ 4.18Å; K557-F561 PolarHBondContact N-O 3.44Å; K557-F561 PolarHBondContact O-N 2.95Å; F561-I563 HydrophobicContact CD2-CD1 4.02Å; F561-I563 HydrophobicContact CD2-CG1 4.11Å; F561-I563 HydrophobicContact CE2-CD1 3.61Å; F561-I563 HydrophobicContact CE2-CG1 4.21Å
562	G	97.4	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.7	167.8	0	0	0	0	0	112	A423 Y555	A423-G562 WeakPolarHBondContact O-CA 3.38Å; Y555-G562 CarbonylContact O-C 3.52Å; Y555-G562 WeakPolarHBondContact O-CA 3.07Å
563	I	98.6	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.8	-180	-61.7	153.4	0	0	0	107.2	M443 T462 A475 F476 V479 G554 Y555 F561 I565	M443-I563 HydrophobicContact CE-CD1 4.1Å; M443-I563 HydrophobicContact CE-CG1 3.51Å; M443-I563 HydrophobicContact SD-CG1 4.32Å; T462-I563 HydrophobicContact CG2-CG1 4.38Å; A475-I563 HydrophobicContact CB-CD1 3.62Å; F476-I563 HydrophobicContact CB-CD1 4Å; F476-I563 HydrophobicContact CD2-CG1 4.47Å; F476-I563 HydrophobicContact CD2-CG2 3.78Å; F476-I563 HydrophobicContact CE2-CG2 4.44Å; F476-I563 HydrophobicContact CG-CG2 4.5Å; V479-I563 HydrophobicContact CB-CG2 4.02Å; V479-I563 HydrophobicContact CG1-CG2 3.99Å; V479-I563 HydrophobicContact CG2-CB 4.42Å; V479-I563 HydrophobicContact CG2-CG2 4.01Å; G554-I563 CarbonylContact C-O 3.57Å; G554-I563 WeakPolarHBondContact CA-O 3.5Å; Y555-I563 PolarHBondContact N-O 2.99Å; Y555-I563 PolarHBondContact O-N 3.31Å; F561-I563 HydrophobicContact CD2-CD1 4.02Å; F561-I563 HydrophobicContact CD2-CG1 4.11Å; F561-I563 HydrophobicContact CE2-CD1 3.61Å; F561-I563 HydrophobicContact CE2-CG1 4.21Å; I563-I565 HydrophobicContact CG2-CG1 4.34Å
564	R	98.8	Very high	96.8	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.9	160.1	174.8	170.9	60.7	-106.3	12.6	108.1	A426 L445 D447 T460 T462 E552 Y556 E566	A426-R564 PolarHBondContact O-NH1 3.37Å; A426-R564 PolarHBondContact O-NH2 3Å; L445-R564 HydrophobicContact CD1-CB 4Å; D447-R564 VanDerWaalsContact CG-NH2 3.31Å; D447-R564 IonicContact OD2-CZ 3.01Å; D447-R564 IonicContact OD2-NE 2.72Å; D447-R564 PolarHBondContact OD2-NE 3.26Å; D447-R564 IonicContact OD2-NH2 2.68Å; D447-R564 PolarHBondContact OD2-NH2 3.38Å; T460-R564 HydrophobicContact CG2-CB 3.73Å; T460-R564 HydrophobicContact CG2-CG 3.86Å; T460-R564 WeakPolarHBondContact CG2-O 3.26Å; T460-R564 PolarHBondContact OG1-NE 2.9Å; T462-R564 PolarHBondContact OG1-N 3.46Å; T462-R564 PolarHBondContact OG1-O 3.43Å; E552-R564 HydrophobicContact CB-CG 4.38Å; Y556-R564 PolarHBondContact OH-NH1 2.93Å; R564-E566 HydrophobicContact CG-CB 4.48Å
565	I	98.8	Very high	96.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.194	C	C	.	.			trans	-125.7	108.4	175.8	-62	178.6	0	0	0	106.3	F476 V479 L480 N483 E552 P553 I563 Y593	F476-I565 HydrophobicContact CD1-CD1 4.39Å; F476-I565 HydrophobicContact CD2-CD1 4.24Å; F476-I565 HydrophobicContact CE1-CD1 3.95Å; F476-I565 HydrophobicContact CE2-CD1 3.8Å; F476-I565 HydrophobicContact CE2-CG1 4.12Å; F476-I565 HydrophobicContact CZ-CD1 3.64Å; F476-I565 HydrophobicContact CZ-CG1 4.3Å; V479-I565 HydrophobicContact CB-CD1 4.41Å; V479-I565 HydrophobicContact CG1-CB 4.06Å; V479-I565 HydrophobicContact CG1-CD1 4Å; V479-I565 HydrophobicContact CG1-CG1 3.9Å; L480-I565 HydrophobicContact CB-CD1 3.64Å; L480-I565 HydrophobicContact CD1-CD1 4.15Å; L480-I565 HydrophobicContact CD1-CG2 4.49Å; L480-I565 HydrophobicContact CG-CD1 4.45Å; N483-I565 HydrophobicContact CB-CG2 4.28Å; N483-I565 PolarHBondContact ND2-O 2.99Å; E552-I565 WeakPolarHBondContact CA-O 3.25Å; P553-I565 WeakPolarHBondContact CD-O 3.29Å; P553-I565 PolarHBondContact O-N 3.27Å; P553-I565 VanDerWaalsContact O-N 3.13Å; I563-I565 HydrophobicContact CG2-CG1 4.34Å; I565-Y593 HydrophobicContact CG2-CD1 3.82Å; I565-Y593 HydrophobicContact CG2-CE1 3.33Å
566	E	98.9	Very high	96.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.201	C	C	.	.			trans	-123.1	131.2	-174.3	169.7	170.9	-136.7	0	0	111.7	T460 R461 H521 S550 I551 E552 R564	T460-E566 PolarHBondContact N-OE2 2.6Å; T460-E566 PolarHBondContact O-N 3.17Å; T460-E566 PolarHBondContact OG1-OE2 2.92Å; R461-E566 PolarHBondContact NH1-O 2.93Å; H521-E566 IonicContact NE2-OE1 2.89Å; S550-E566 WeakPolarHBondContact CB-OE1 3.46Å; I551-E566 WeakPolarHBondContact O-CA 3.34Å; E552-E566 HydrophobicContact CB-CB 3.57Å; E552-E566 HydrophobicContact CB-CG 3.72Å; R564-E566 HydrophobicContact CG-CB 4.48Å
567	D	98.6	Very high	96.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.4	173.1	-63.7	-62.7	0	0	0	110.2	R461 N483 S550 I551 T587 S589 Y593	R461-D567 IonicContact CZ-OD1 2.82Å; R461-D567 IonicContact NH1-OD1 3.79Å; R461-D567 PolarHBondContact NH1-OD1 2.81Å; R461-D567 VanDerWaalsContact NH1-OD1 3.14Å; R461-D567 IonicContact NH2-OD1 3.41Å; R461-D567 PolarHBondContact NH2-OD1 3.13Å; N483-D567 PolarHBondContact ND2-OD2 3.47Å; S550-D567 CarbonylContact C-O 3.54Å; S550-D567 WeakPolarHBondContact CA-O 3.26Å; I551-D567 PolarHBondContact N-O 2.67Å; I551-D567 PolarHBondContact O-N 2.88Å; I551-D567 VanDerWaalsContact O-N 3.17Å; D567-T587 HydrophobicContact CB-CG2 3.93Å; D567-S589 WeakPolarHBondContact OD1-CB 3.34Å; D567-Y593 WeakPolarHBondContact OD2-CE1 3.49Å; D567-Y593 PolarHBondContact OD2-OH 3.26Å
568	I	98.8	Very high	96.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.6	167.6	-57.9	-44.9	0	0	0	108.4	H366 D458 V523 F548 T549 V588 S589	H366-I568 WeakPolarHBondContact NE2-CG1 3.29Å; D458-I568 HydrophobicContact CB-CD1 3.89Å; D458-I568 HydrophobicContact CB-CG1 4.31Å; D458-I568 WeakPolarHBondContact O-CG1 3.37Å; V523-I568 HydrophobicContact CG2-CD1 3.54Å; V523-I568 HydrophobicContact CG2-CG1 4.28Å; V523-I568 HydrophobicContact CG2-CG2 4.49Å; F548-I568 HydrophobicContact CB-CG2 4.44Å; F548-I568 HydrophobicContact CD1-CG2 3.76Å; T549-I568 WeakPolarHBondContact O-CA 3.46Å; I568-V588 WeakPolarHBondContact O-CA 3.34Å; I568-V588 PolarHBondContact O-N 3.02Å; I568-S589 PolarHBondContact N-OG 2.85Å; I568-S589 PolarHBondContact O-N 3.47Å
569	A	98.5	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.8	172.8	0	0	0	0	0	110.8	F548 T549 I551 F585 D586	F548-A569 CarbonylContact C-O 3.55Å; F548-A569 WeakPolarHBondContact CA-O 3.4Å; T549-A569 PolarHBondContact N-O 3.47Å; T549-A569 PolarHBondContact O-N 3Å; I551-A569 HydrophobicContact CD1-CB 4Å; A569-F585 HydrophobicContact CB-CB 3.9Å; A569-F585 HydrophobicContact CB-CD1 4.46Å; A569-D586 CarbonylContact C-O 3.58Å; A569-D586 VanDerWaalsContact CA-O 3.26Å; A569-D586 WeakPolarHBondContact CA-O 3.28Å
570	V	98.6	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137	171.2	58	0	0	0	0	110.1	M547 F548 V572 F585 D586 V588	M547-V570 CarbonylContact O-C 3.55Å; M547-V570 WeakPolarHBondContact O-CA 3.27Å; F548-V570 HydrophobicContact CD1-CB 4.29Å; F548-V570 HydrophobicContact CD2-CB 3.93Å; F548-V570 HydrophobicContact CD2-CG2 3.76Å; F548-V570 HydrophobicContact CE1-CB 4.14Å; F548-V570 HydrophobicContact CE2-CB 3.74Å; F548-V570 HydrophobicContact CE2-CG2 3.54Å; F548-V570 HydrophobicContact CG-CB 4.19Å; F548-V570 HydrophobicContact CG-CG2 4.48Å; F548-V570 HydrophobicContact CZ-CB 3.86Å; F548-V570 HydrophobicContact CZ-CG1 4.33Å; F548-V570 HydrophobicContact CZ-CG2 4.12Å; V570-V572 HydrophobicContact CG1-CG1 4.09Å; V570-V572 PolarHBondContact O-N 3.48Å; V570-F585 WeakPolarHBondContact O-CA 3.49Å; V570-D586 HydrophobicContact CG1-CB 4.1Å; V570-D586 PolarHBondContact N-O 3.21Å; V570-D586 PolarHBondContact O-N 3.09Å; V570-V588 HydrophobicContact CB-CG2 4.46Å; V570-V588 HydrophobicContact CG1-CG2 3.99Å
571	T	98.6	Very high	96.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.3	174.8	-56.9	0	0	0	0	109.2	F491 F543 K544 A545 G546 M547 L583 T584	F491-T571 HydrophobicContact CZ-CG2 4.16Å; F543-T571 HydrophobicContact CB-CG2 4.27Å; K544-T571 WeakPolarHBondContact O-CB 3.4Å; K544-T571 WeakPolarHBondContact O-CG2 3.08Å; A545-T571 CarbonylContact C-O 3.59Å; A545-T571 VanDerWaalsContact CA-O 3.26Å; A545-T571 WeakPolarHBondContact CA-O 3.42Å; G546-T571 PolarHBondContact N-O 3.44Å; M547-T571 PolarHBondContact O-N 3.15Å; M547-T571 PolarHBondContact O-OG1 2.9Å; T571-L583 HydrophobicContact CG2-CB 3.89Å; T571-L583 HydrophobicContact CG2-CD1 3.78Å; T571-L583 HydrophobicContact CG2-CD2 4.3Å; T571-L583 HydrophobicContact CG2-CG 4.2Å; T571-T584 CarbonylContact C-O 3.59Å; T571-T584 WeakPolarHBondContact CA-O 3.03Å
572	V	98.4	Very high	96.9	Very high	32 Å²	32	52.1 Å²	52.1	19%	0.194	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.1	-178.1	-62	0	0	0	0	111.7	V570 L583 T584 D586	V570-V572 HydrophobicContact CG1-CG1 4.09Å; V570-V572 PolarHBondContact O-N 3.48Å; V572-L583 CarbonylContact O-C 3.49Å; V572-L583 VanDerWaalsContact O-CA 3.26Å; V572-L583 WeakPolarHBondContact O-CA 3.15Å; V572-T584 HydrophobicContact CG2-CG2 3.79Å; V572-T584 PolarHBondContact N-O 3.15Å; V572-T584 PolarHBondContact O-N 3.4Å; V572-D586 HydrophobicContact CG1-CB 4.02Å; V572-D586 HydrophobicContact CG2-CB 4.03Å
573	P	97.9	Very high	96.9	Very high	94 Å²	94	52.5 Å²	52.5	61%	0.61	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	145.3	170.3	-18.9	32.5	0	0	0	111.8	A545	A545-P573 HydrophobicContact CB-CG 3.95Å
574	V	97	Very high	96.9	Very high	38 Å²	38	53.5 Å²	53.5	23%	0.23	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.4	175	67.1	0	0	0	0	111.4	V490 T576 F582 T584	V490-V574 HydrophobicContact CB-CG1 4.46Å; V490-V574 HydrophobicContact CG1-CG1 3.64Å; V490-V574 HydrophobicContact CG2-CG1 4.18Å; V574-T576 HydrophobicContact CG1-CG2 4.4Å; V574-F582 HydrophobicContact CG1-CB 3.86Å; V574-F582 PolarHBondContact N-O 3.01Å; V574-T584 HydrophobicContact CB-CG2 3.88Å; V574-T584 HydrophobicContact CG1-CG2 4.29Å; V574-T584 HydrophobicContact CG2-CG2 4.27Å
575	H	94.7	Very high	96.9	Very high	172 Å²	172	53.9 Å²	53.9	80%	0.796	27%	0.27	S	S	*	.			trans	-79.9	126.8	173.1	-67.7	-26.6	0	0	0	110.4
576	T	96.1	Very high	96.9	Very high	42 Å²	42	56.4 Å²	56.4	26%	0.258	28%	0.283	S	S	.	.			trans	-112.1	163.8	174.8	78.7	0	0	0	0	110.7	V490 V574 F578 G579 F582	V490-T576 HydrophobicContact CG1-CG2 3.79Å; V574-T576 HydrophobicContact CG1-CG2 4.4Å; T576-F578 VanDerWaalsContact C-N 3.26Å; T576-F578 PolarHBondContact O-N 2.91Å; T576-G579 PolarHBondContact N-O 3.45Å; T576-G579 WeakPolarHBondContact OG1-CA 3.31Å; T576-G579 PolarHBondContact OG1-N 3.2Å; T576-G579 PolarHBondContact OG1-O 2.98Å; T576-F582 HydrophobicContact CG2-CB 3.66Å; T576-F582 HydrophobicContact CG2-CD1 4.12Å; T576-F582 HydrophobicContact CG2-CD2 3.87Å; T576-F582 HydrophobicContact CG2-CG 3.61Å
577	K	95.9	Very high	96.8	Very high	182 Å²	182	56.8 Å²	56.8	79%	0.791	29%	0.286	S	S	*	.	S	Bend	trans	-58.5	-34.6	-176.6	-174.7	175.7	177.6	179.9	0	113.8
578	F	95.8	Very high	96.8	Very high	176 Å²	176	57 Å²	57	77%	0.772	29%	0.287	S	S	*	.	S	Bend	trans	-126.2	-12.9	-171.6	-56.4	-62.6	0	0	0	114.3	T576	T576-F578 VanDerWaalsContact C-N 3.26Å; T576-F578 PolarHBondContact O-N 2.91Å
579	G	90	Very high	96.8	Very high	15 Å²	15	57.1 Å²	57.1	16%	0.155	29%	0.288	C	S	.	.			trans	-133	149.6	-176.3	0	0	0	0	0	112.9	T576	T576-G579 PolarHBondContact N-O 3.45Å; T576-G579 WeakPolarHBondContact OG1-CA 3.31Å; T576-G579 PolarHBondContact OG1-N 3.2Å; T576-G579 PolarHBondContact OG1-O 2.98Å
580	H	88.8	Confident	96.8	Very high	166 Å²	166	57.3 Å²	57.3	77%	0.769	29%	0.289	S	S	*	.	S	Bend	trans	-110.8	-5.4	-174.4	-55.3	-66.3	0	0	0	114
581	N	95.5	Very high	96.8	Very high	110 Å²	110	57.3 Å²	57.3	59%	0.588	29%	0.289	S	S	*	.			trans	-115.8	61.9	-176.4	-167.9	26.8	0	0	0	112	S493	S493-N581 WeakPolarHBondContact CB-OD1 3.37Å; S493-N581 PolarHBondContact N-O 2.92Å; S493-N581 VanDerWaalsContact N-O 3.08Å
582	F	98.3	Very high	96.8	Very high	61 Å²	61	57.5 Å²	57.5	27%	0.268	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.5	-179.7	-76.9	-102.3	0	0	0	110.7	V490 F491 P492 V574 T576	V490-F582 HydrophobicContact CG1-CB 4.05Å; V490-F582 HydrophobicContact CG1-CD1 3.8Å; V490-F582 HydrophobicContact CG1-CG 4.27Å; F491-F582 VanDerWaalsContact C-CD1 3.42Å; F491-F582 CarbonylContact O-C 3.52Å; F491-F582 VanDerWaalsContact O-CA 3.31Å; F491-F582 WeakPolarHBondContact O-CA 3.1Å; F491-F582 WeakPolarHBondContact O-CD1 3.4Å; P492-F582 HydrophobicContact CB-CE1 4.44Å; P492-F582 HydrophobicContact CG-CD1 4.41Å; P492-F582 HydrophobicContact CG-CE1 3.84Å; P492-F582 HydrophobicContact CG-CZ 4.27Å; V574-F582 HydrophobicContact CG1-CB 3.86Å; V574-F582 PolarHBondContact N-O 3.01Å; T576-F582 HydrophobicContact CG2-CB 3.66Å; T576-F582 HydrophobicContact CG2-CD1 4.12Å; T576-F582 HydrophobicContact CG2-CD2 3.87Å; T576-F582 HydrophobicContact CG2-CG 3.61Å
583	L	98.6	Very high	96.8	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159.4	178.2	-58.3	174.4	0	0	0	109.6	V490 F491 F543 A545 T571 V572	V490-L583 WeakPolarHBondContact CA-O 3.48Å; F491-L583 HydrophobicContact CD2-CB 4.07Å; F491-L583 HydrophobicContact CE1-CB 4.34Å; F491-L583 HydrophobicContact CE2-CB 3.57Å; F491-L583 HydrophobicContact CE2-CD1 3.97Å; F491-L583 HydrophobicContact CE2-CG 4.35Å; F491-L583 HydrophobicContact CZ-CB 3.73Å; F491-L583 PolarHBondContact N-O 3.37Å; F491-L583 PolarHBondContact O-N 3.41Å; F543-L583 WeakPolarHBondContact O-CD1 3.42Å; A545-L583 HydrophobicContact CB-CD2 4.25Å; T571-L583 HydrophobicContact CG2-CB 3.89Å; T571-L583 HydrophobicContact CG2-CD1 3.78Å; T571-L583 HydrophobicContact CG2-CD2 4.3Å; T571-L583 HydrophobicContact CG2-CG 4.2Å; V572-L583 CarbonylContact O-C 3.49Å; V572-L583 VanDerWaalsContact O-CA 3.26Å; V572-L583 WeakPolarHBondContact O-CA 3.15Å
584	T	98.4	Very high	96.8	Very high	22 Å²	22	52.5 Å²	52.5	14%	0.135	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	-178.5	168	-163.1	0	0	0	0	109.1	T489 T571 V572 V574	T489-T584 WeakPolarHBondContact O-CA 3.48Å; T489-T584 WeakPolarHBondContact O-CB 3.29Å; T489-T584 PolarHBondContact O-OG1 3.47Å; T571-T584 CarbonylContact C-O 3.59Å; T571-T584 WeakPolarHBondContact CA-O 3.03Å; V572-T584 HydrophobicContact CG2-CG2 3.79Å; V572-T584 PolarHBondContact N-O 3.15Å; V572-T584 PolarHBondContact O-N 3.4Å; V574-T584 HydrophobicContact CB-CG2 3.88Å; V574-T584 HydrophobicContact CG1-CG2 4.29Å; V574-T584 HydrophobicContact CG2-CG2 4.27Å
585	F	98.5	Very high	96.8	Very high	12 Å²	12	54 Å²	54	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141	177	-58.8	-77.7	0	0	0	110.7	I486 F491 I500 F536 F543 T549 I551 A569 V570	I486-F585 HydrophobicContact CG2-CD2 4.3Å; I486-F585 HydrophobicContact CG2-CE2 3.94Å; I486-F585 VanDerWaalsContact O-CD2 3.24Å; I486-F585 WeakPolarHBondContact O-CD2 3.28Å; F491-F585 HydrophobicContact CD1-CE2 4.27Å; F491-F585 AromaticContact CE1-CD2 3.91Å; F491-F585 HydrophobicContact CE1-CD2 3.91Å; F491-F585 HydrophobicContact CE1-CE1 4.38Å; F491-F585 AromaticContact CE1-CE2 3.38Å; F491-F585 HydrophobicContact CE1-CE2 3.38Å; F491-F585 AromaticContact CE1-CZ 3.65Å; F491-F585 HydrophobicContact CE1-CZ 3.65Å; F491-F585 HydrophobicContact CZ-CE1 4.2Å; F491-F585 AromaticContact CZ-CE2 3.97Å; F491-F585 HydrophobicContact CZ-CE2 3.97Å; F491-F585 AromaticContact CZ-CZ 3.72Å; F491-F585 HydrophobicContact CZ-CZ 3.72Å; I500-F585 HydrophobicContact CD1-CE2 4Å; I500-F585 HydrophobicContact CD1-CZ 4.06Å; F536-F585 HydrophobicContact CZ-CZ 4.48Å; F543-F585 HydrophobicContact CD1-CE1 4.48Å; F543-F585 HydrophobicContact CD2-CE1 4.48Å; F543-F585 HydrophobicContact CD2-CZ 4.15Å; F543-F585 HydrophobicContact CE1-CE1 4.25Å; F543-F585 HydrophobicContact CE2-CE1 4.22Å; F543-F585 AromaticContact CE2-CZ 3.82Å; F543-F585 HydrophobicContact CE2-CZ 3.82Å; F543-F585 HydrophobicContact CZ-CE1 4.12Å; F543-F585 HydrophobicContact CZ-CZ 4.12Å; T549-F585 HydrophobicContact CG2-CD1 4.15Å; T549-F585 HydrophobicContact CG2-CE1 3.86Å; I551-F585 HydrophobicContact CD1-CB 4.46Å; I551-F585 HydrophobicContact CD1-CG 4.31Å; A569-F585 HydrophobicContact CB-CB 3.9Å; A569-F585 HydrophobicContact CB-CD1 4.46Å; V570-F585 WeakPolarHBondContact O-CA 3.49Å
586	D	98.2	Very high	96.9	Very high	54 Å²	54	49.8 Å²	49.8	29%	0.289	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.9	171.9	-178.4	30.8	0	0	0	109.1	R363 A569 V570 V572 V588	R363-D586 IonicContact CZ-OD2 3.74Å; R363-D586 IonicContact NH1-OD2 3.42Å; R363-D586 PolarHBondContact NH1-OD2 2.9Å; R363-D586 IonicContact NH2-OD2 2.75Å; R363-D586 PolarHBondContact NH2-OD2 2.78Å; A569-D586 CarbonylContact C-O 3.58Å; A569-D586 VanDerWaalsContact CA-O 3.26Å; A569-D586 WeakPolarHBondContact CA-O 3.28Å; V570-D586 HydrophobicContact CG1-CB 4.1Å; V570-D586 PolarHBondContact N-O 3.21Å; V570-D586 PolarHBondContact O-N 3.09Å; V572-D586 HydrophobicContact CG1-CB 4.02Å; V572-D586 HydrophobicContact CG2-CB 4.03Å; D586-V588 WeakPolarHBondContact O-CG2 3.31Å
587	T	98.3	Very high	97	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.055	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.4	-173.1	-54.2	0	0	0	0	111.5	D567 Y614	D567-T587 HydrophobicContact CB-CG2 3.93Å; T587-Y614 HydrophobicContact CG2-CD2 4.38Å; T587-Y614 HydrophobicContact CG2-CE2 3.96Å
588	V	97.8	Very high	97.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	19%	0.191	C	C	.	.			trans	-113.8	-26.7	-174.6	-172.4	0	0	0	0	112.4	R363 H366 F548 I568 V570 D586 L590	R363-V588 HydrophobicContact CB-CG1 4.24Å; R363-V588 HydrophobicContact CG-CG1 3.85Å; R363-V588 HydrophobicContact CG-CG2 4.26Å; H366-V588 HydrophobicContact CB-CG1 3.66Å; H366-V588 WeakPolarHBondContact CB-O 3.43Å; F548-V588 HydrophobicContact CE1-CB 4.46Å; F548-V588 HydrophobicContact CE1-CG1 4.26Å; F548-V588 HydrophobicContact CE1-CG2 3.9Å; I568-V588 WeakPolarHBondContact O-CA 3.34Å; I568-V588 PolarHBondContact O-N 3.02Å; V570-V588 HydrophobicContact CB-CG2 4.46Å; V570-V588 HydrophobicContact CG1-CG2 3.99Å; D586-V588 WeakPolarHBondContact O-CG2 3.31Å; V588-L590 WeakPolarHBondContact O-CG 3.05Å
589	S	98	Very high	97.2	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	17%	0.165	C	C	.	.			trans	-71.5	131.5	168.1	-65.8	0	0	0	0	110.6	D567 I568 Y614	D567-S589 WeakPolarHBondContact OD1-CB 3.34Å; I568-S589 PolarHBondContact N-OG 2.85Å; I568-S589 PolarHBondContact O-N 3.47Å; S589-Y614 WeakPolarHBondContact O-CE2 3.44Å; S589-Y614 PolarHBondContact O-OH 3.01Å
590	L	98.4	Very high	97.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.174	C	C	.	.			trans	-131	50.2	-165.7	-64.8	167.9	0	0	0	113.4	V367 A370 V588 M617 I618 L621 V622	V367-L590 HydrophobicContact CG2-CD1 3.77Å; A370-L590 HydrophobicContact CB-CB 4.22Å; V588-L590 WeakPolarHBondContact O-CG 3.05Å; L590-M617 HydrophobicContact CD2-CE 3.63Å; L590-M617 HydrophobicContact CD2-CG 3.89Å; L590-M617 HydrophobicContact CD2-SD 4.19Å; L590-I618 HydrophobicContact CB-CG1 4.2Å; L590-I618 HydrophobicContact CD2-CG1 4.24Å; L590-L621 HydrophobicContact CD1-CB 3.81Å; L590-L621 HydrophobicContact CD1-CD1 3.81Å; L590-L621 HydrophobicContact CD1-CG 4.47Å; L590-L621 HydrophobicContact CD2-CD1 4.28Å; L590-V622 HydrophobicContact CB-CG2 3.57Å; L590-V622 HydrophobicContact CD1-CG2 4.04Å; L590-V622 HydrophobicContact CG-CG2 4.42Å
591	V	98.8	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.			trans	-119.1	132.9	177.6	-179.3	0	0	0	0	109.9	A370 V373 L377 I459 R461 Y614	A370-V591 HydrophobicContact CB-CG2 3.91Å; V373-V591 HydrophobicContact CB-CG2 3.91Å; V373-V591 HydrophobicContact CG1-CB 4.47Å; V373-V591 HydrophobicContact CG1-CG1 3.87Å; V373-V591 HydrophobicContact CG1-CG2 3.96Å; L377-V591 HydrophobicContact CD1-CG1 3.74Å; I459-V591 HydrophobicContact CD1-CB 3.78Å; I459-V591 HydrophobicContact CD1-CG2 3.52Å; R461-V591 HydrophobicContact CG-CG1 4.05Å; R461-V591 PolarHBondContact NE-O 2.99Å; R461-V591 PolarHBondContact NH2-O 2.65Å; V591-Y614 PolarHBondContact N-OH 3.13Å; V591-Y614 VanDerWaalsContact N-OH 3.12Å; V591-Y614 PolarHBondContact O-OH 3.36Å
592	P	98.5	Very high	98.1	Very high	5 Å²	5	29 Å²	29	3%	0.032	15%	0.154	C	C	.	.			trans	-64.2	148.6	-179.1	26.4	-34.2	0	0	0	111.9	Y615 I618 W637 N641 T642	P592-Y615 HydrophobicContact CB-CE1 4.15Å; P592-I618 HydrophobicContact CB-CD1 4.33Å; P592-W637 HydrophobicContact CG-CH2 4.09Å; P592-W637 HydrophobicContact CG-CZ3 3.84Å; P592-N641 HydrophobicContact CB-CB 4.26Å; P592-N641 HydrophobicContact CG-CB 3.97Å; P592-T642 HydrophobicContact CB-CG2 4.03Å; P592-T642 HydrophobicContact CG-CG2 4.34Å
593	Y	98.7	Very high	98.1	Very high	3 Å²	3	27 Å²	27	1%	0.012	15%	0.145	C	C	.	.			trans	-79	152.8	168.3	-48.5	-58.9	0	0	0	110.7	L480 N483 I565 D567 R595 W610 L611 Y614 Y615	L480-Y593 HydrophobicContact CD1-CD2 3.64Å; L480-Y593 HydrophobicContact CD1-CE1 4.45Å; L480-Y593 HydrophobicContact CD1-CE2 3.5Å; L480-Y593 VanDerWaalsContact CD1-CE2 3.5Å; L480-Y593 HydrophobicContact CD1-CG 4.18Å; L480-Y593 HydrophobicContact CD2-CD2 4.46Å; N483-Y593 PolarHBondContact OD1-OH 2.9Å; I565-Y593 HydrophobicContact CG2-CD1 3.82Å; I565-Y593 HydrophobicContact CG2-CE1 3.33Å; D567-Y593 WeakPolarHBondContact OD2-CE1 3.49Å; D567-Y593 PolarHBondContact OD2-OH 3.26Å; Y593-R595 PolarHBondContact O-N 2.74Å; Y593-R595 VanDerWaalsContact O-N 3.15Å; Y593-W610 HydrophobicContact CE2-CZ3 4.32Å; Y593-L611 HydrophobicContact CD2-CD1 3.62Å; Y593-L611 HydrophobicContact CE2-CD1 3.85Å; Y593-Y614 HydrophobicContact CD2-CD1 4.47Å; Y593-Y614 HydrophobicContact CD2-CE1 4.21Å; Y593-Y614 AromaticContact CE2-CD1 3.87Å; Y593-Y614 HydrophobicContact CE2-CD1 3.87Å; Y593-Y614 AromaticContact CE2-CE1 3.67Å; Y593-Y614 HydrophobicContact CE2-CE1 3.67Å; Y593-Y614 AromaticContact CZ-CE1 3.87Å; Y593-Y615 HydrophobicContact CD2-CE1 4.36Å; Y593-Y615 PolarHBondContact O-OH 3.31Å
594	D	98.1	Very high	98	Very high	18 Å²	18	29.2 Å²	29.2	10%	0.096	16%	0.161	C	C	.	.			trans	-68.5	113.5	177.6	-168.9	-23.5	0	0	0	111.1	V463 H464 K596 L597	V463-D594 WeakPolarHBondContact CA-OD2 3.46Å; V463-D594 HydrophobicContact CB-CB 4.22Å; V463-D594 WeakPolarHBondContact CB-OD2 3.36Å; V463-D594 HydrophobicContact CG1-CB 4.12Å; H464-D594 PolarHBondContact N-OD2 2.77Å; D594-K596 PolarHBondContact O-N 3.01Å; D594-K596 WeakPolarHBondContact OD1-CB 3.41Å; D594-K596 VanDerWaalsContact OD1-CE 3.29Å; D594-K596 WeakPolarHBondContact OD1-CE 3.39Å; D594-K596 PolarHBondContact OD1-N 2.72Å; D594-L597 HydrophobicContact CB-CD1 4.12Å; D594-L597 HydrophobicContact CB-CG 4.46Å; D594-L597 PolarHBondContact O-N 2.83Å
595	R	96.8	Very high	97.9	Very high	68 Å²	68	31.4 Å²	31.4	26%	0.257	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-63.1	-26.3	-177.3	-58.8	175	62.8	81.8	-3.9	113.2	Y593 L597 I598 Q643 F645	Y593-R595 PolarHBondContact O-N 2.74Å; Y593-R595 VanDerWaalsContact O-N 3.15Å; R595-L597 PolarHBondContact O-N 2.68Å; R595-I598 PolarHBondContact O-N 2.77Å; R595-Q643 PolarHBondContact NH1-O 2.77Å; R595-F645 HydrophobicContact CB-CZ 4.24Å; R595-F645 HydrophobicContact CG-CZ 4.02Å
596	K	96.5	Very high	97.8	Very high	85 Å²	85	36.9 Å²	36.9	37%	0.37	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-68.3	-26.6	-179.6	-72.8	171.4	-79.7	-179.1	0	112.4	H464 P468 D594	H464-K596 WeakPolarHBondContact O-CE 3.5Å; H464-K596 PolarHBondContact O-NZ 2.91Å; P468-K596 HydrophobicContact CG-CB 4.43Å; P468-K596 WeakPolarHBondContact CG-O 3.29Å; D594-K596 PolarHBondContact O-N 3.01Å; D594-K596 WeakPolarHBondContact OD1-CB 3.41Å; D594-K596 VanDerWaalsContact OD1-CE 3.29Å; D594-K596 WeakPolarHBondContact OD1-CE 3.39Å; D594-K596 PolarHBondContact OD1-N 2.72Å
597	L	98.5	Very high	97.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-87.4	-9.2	-178.8	-67.4	171.5	0	0	0	113.3	M443 H464 P468 K473 F476 T477 D594 R595	M443-L597 HydrophobicContact CE-CD1 3.69Å; M443-L597 HydrophobicContact CE-CD2 3.83Å; M443-L597 HydrophobicContact CE-CG 4.44Å; M443-L597 HydrophobicContact SD-CD2 4.39Å; H464-L597 HydrophobicContact CB-CD1 4.37Å; H464-L597 HydrophobicContact CB-CD2 4.01Å; H464-L597 HydrophobicContact CB-CG 4.24Å; P468-L597 HydrophobicContact CB-CD2 3.59Å; P468-L597 HydrophobicContact CG-CD2 4.07Å; K473-L597 WeakPolarHBondContact CA-O 3.37Å; F476-L597 HydrophobicContact CB-CB 3.98Å; F476-L597 HydrophobicContact CD1-CB 3.47Å; F476-L597 VanDerWaalsContact CD1-CB 3.47Å; F476-L597 WeakPolarHBondContact CD1-O 3.38Å; F476-L597 HydrophobicContact CD2-CB 3.86Å; F476-L597 HydrophobicContact CD2-CD1 3.59Å; F476-L597 HydrophobicContact CD2-CG 4.29Å; F476-L597 HydrophobicContact CE1-CB 3.84Å; F476-L597 HydrophobicContact CE2-CB 4.17Å; F476-L597 HydrophobicContact CE2-CD1 3.69Å; F476-L597 HydrophobicContact CG-CB 3.49Å; F476-L597 VanDerWaalsContact CG-CB 3.49Å; F476-L597 HydrophobicContact CG-CD1 4.12Å; F476-L597 HydrophobicContact CG-CG 4.34Å; F476-L597 HydrophobicContact CZ-CB 4.16Å; F476-L597 HydrophobicContact CZ-CD1 4.31Å; T477-L597 PolarHBondContact OG1-O 3.23Å; D594-L597 HydrophobicContact CB-CD1 4.12Å; D594-L597 HydrophobicContact CB-CG 4.46Å; D594-L597 PolarHBondContact O-N 2.83Å; R595-L597 PolarHBondContact O-N 2.68Å
598	I	98.6	Very high	97.8	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.056	19%	0.193	C	C	.	.			trans	-92.9	116.9	-175.5	-60.7	172.2	0	0	0	110.1	F476 L480 R595 T600 L603 L611 F645	F476-I598 HydrophobicContact CD1-CG1 4.12Å; F476-I598 HydrophobicContact CE1-CD1 4.35Å; F476-I598 HydrophobicContact CE1-CG1 3.65Å; L480-I598 HydrophobicContact CD2-CD1 3.69Å; L480-I598 HydrophobicContact CD2-CG1 3.83Å; L480-I598 HydrophobicContact CD2-CG2 4.41Å; R595-I598 PolarHBondContact O-N 2.77Å; I598-T600 HydrophobicContact CG2-CG2 4.25Å; I598-L603 HydrophobicContact CG2-CD1 3.86Å; I598-L611 HydrophobicContact CD1-CD2 4.13Å; I598-F645 HydrophobicContact CB-CZ 4.42Å; I598-F645 HydrophobicContact CD1-CE2 4.34Å; I598-F645 HydrophobicContact CD1-CZ 3.88Å; I598-F645 HydrophobicContact CG2-CZ 4.39Å
599	D	98.3	Very high	97.8	Very high	42 Å²	42	40 Å²	40	23%	0.225	22%	0.218	C	C	.	.			trans	-90.4	98.8	166.6	-162.8	-37.4	0	0	0	110.4	K473 T477 S601 L602	K473-D599 IonicContact NZ-OD2 3.59Å; T477-D599 WeakPolarHBondContact CG2-O 3.31Å; T477-D599 PolarHBondContact OG1-N 2.84Å; D599-S601 PolarHBondContact O-N 2.81Å; D599-S601 VanDerWaalsContact OD1-CB 3.29Å; D599-S601 WeakPolarHBondContact OD1-CB 3.41Å; D599-S601 PolarHBondContact OD1-N 3.3Å; D599-S601 PolarHBondContact OD1-OG 3.32Å; D599-L602 HydrophobicContact CB-CD1 4.06Å; D599-L602 HydrophobicContact CB-CG 4.27Å; D599-L602 PolarHBondContact O-N 2.79Å; D599-L602 VanDerWaalsContact O-N 3.15Å
600	T	97.6	Very high	97.8	Very high	57 Å²	57	41.8 Å²	41.8	35%	0.35	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.5	-178.3	56	0	0	0	0	113.8	I598 L602 L603 L608 F645	I598-T600 HydrophobicContact CG2-CG2 4.25Å; T600-L602 PolarHBondContact O-N 2.9Å; T600-L603 PolarHBondContact O-N 3.25Å; T600-L608 HydrophobicContact CG2-CD1 4.08Å; T600-F645 HydrophobicContact CG2-CD1 3.55Å; T600-F645 HydrophobicContact CG2-CE1 3.97Å; T600-F645 HydrophobicContact CG2-CG 4.18Å
601	S	96.9	Very high	97.8	Very high	96 Å²	96	41.6 Å²	41.6	67%	0.671	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.3	177.4	73.1	0	0	0	0	113.3	D599	D599-S601 PolarHBondContact O-N 2.81Å; D599-S601 VanDerWaalsContact OD1-CB 3.29Å; D599-S601 WeakPolarHBondContact OD1-CB 3.41Å; D599-S601 PolarHBondContact OD1-N 3.3Å; D599-S601 PolarHBondContact OD1-OG 3.32Å
602	L	97.9	Very high	97.7	Very high	49 Å²	49	43.2 Å²	43.2	26%	0.257	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-18.4	176.3	-57.9	174.3	0	0	0	112.7	E474 T477 M481 D599 T600	E474-L602 WeakPolarHBondContact OE2-CD1 3.05Å; T477-L602 HydrophobicContact CG2-CB 3.84Å; T477-L602 HydrophobicContact CG2-CD1 3.93Å; T477-L602 HydrophobicContact CG2-CG 4.46Å; M481-L602 HydrophobicContact SD-CB 4.38Å; D599-L602 HydrophobicContact CB-CD1 4.06Å; D599-L602 HydrophobicContact CB-CG 4.27Å; D599-L602 PolarHBondContact O-N 2.79Å; D599-L602 VanDerWaalsContact O-N 3.15Å; T600-L602 PolarHBondContact O-N 2.9Å
603	L	97.9	Very high	97.7	Very high	18 Å²	18	47 Å²	47	9%	0.094	25%	0.252	C	S	.	.	S	Bend	trans	-82.6	134.5	-177.7	-61.6	-177	0	0	0	110.9	T477 M481 I598 T600 Q607 L608 L611	T477-L603 HydrophobicContact CG2-CD2 3.82Å; T477-L603 HydrophobicContact CG2-CG 4.16Å; M481-L603 HydrophobicContact CG-CD2 3.56Å; M481-L603 HydrophobicContact SD-CD2 4.44Å; I598-L603 HydrophobicContact CG2-CD1 3.86Å; T600-L603 PolarHBondContact O-N 3.25Å; L603-Q607 HydrophobicContact CB-CB 4.39Å; L603-Q607 HydrophobicContact CD2-CB 4.41Å; L603-L608 HydrophobicContact CD1-CD1 4.13Å; L603-L611 HydrophobicContact CD1-CD2 4.24Å
604	S	97	Very high	97.7	Very high	53 Å²	53	47.1 Å²	47.1	37%	0.371	25%	0.252	S	S	.	.			trans	-66.2	157.1	166.3	66.8	0	0	0	0	111.1	K606 Q607 L608	S604-K606 PolarHBondContact O-N 2.64Å; S604-Q607 PolarHBondContact O-N 2.93Å; S604-Q607 VanDerWaalsContact OG-CG 3.31Å; S604-Q607 WeakPolarHBondContact OG-CG 3.32Å; S604-Q607 PolarHBondContact OG-N 3.11Å; S604-Q607 PolarHBondContact OG-OE1 3.1Å; S604-L608 PolarHBondContact O-N 3.23Å
605	A	96.8	Very high	97.7	Very high	69 Å²	69	46.3 Å²	46.3	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-54.7	-36.8	174.8	0	0	0	0	0	112.4	L608 Q609	A605-L608 PolarHBondContact O-N 3.43Å; A605-Q609 WeakPolarHBondContact O-CB 3.48Å; A605-Q609 PolarHBondContact O-N 3.01Å
606	K	96.9	Very high	97.8	Very high	126 Å²	126	49 Å²	49	55%	0.548	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-43.1	176.9	-169.5	-174.7	177.2	-163.2	0	112.1	S604 Q609 W610	S604-K606 PolarHBondContact O-N 2.64Å; K606-Q609 PolarHBondContact O-N 2.83Å; K606-W610 WeakPolarHBondContact O-CB 3.45Å; K606-W610 PolarHBondContact O-N 3.34Å
607	Q	97.8	Very high	97.9	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-39.8	176.4	-73.1	163.7	-47.1	0	0	111.5	I484 L603 S604 Q609 W610 L611	I484-Q607 HydrophobicContact CB-CG 4.5Å; I484-Q607 HydrophobicContact CD1-CB 4.33Å; I484-Q607 HydrophobicContact CG2-CB 4.18Å; I484-Q607 HydrophobicContact CG2-CG 3.82Å; L603-Q607 HydrophobicContact CB-CB 4.39Å; L603-Q607 HydrophobicContact CD2-CB 4.41Å; S604-Q607 PolarHBondContact O-N 2.93Å; S604-Q607 VanDerWaalsContact OG-CG 3.31Å; S604-Q607 WeakPolarHBondContact OG-CG 3.32Å; S604-Q607 PolarHBondContact OG-N 3.11Å; S604-Q607 PolarHBondContact OG-OE1 3.1Å; Q607-Q609 VanDerWaalsContact C-N 3.35Å; Q607-W610 PolarHBondContact O-N 3.1Å; Q607-L611 WeakPolarHBondContact O-CB 3.48Å; Q607-L611 PolarHBondContact O-N 2.79Å
608	L	97.6	Very high	97.9	Very high	13 Å²	13	46.2 Å²	46.2	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-41.4	175.9	-164.2	66.9	0	0	0	111.7	T600 L603 S604 A605 L611 N612 F645 E647	T600-L608 HydrophobicContact CG2-CD1 4.08Å; L603-L608 HydrophobicContact CD1-CD1 4.13Å; S604-L608 PolarHBondContact O-N 3.23Å; A605-L608 PolarHBondContact O-N 3.43Å; L608-L611 PolarHBondContact O-N 3.32Å; L608-N612 PolarHBondContact O-N 2.92Å; L608-F645 HydrophobicContact CD1-CB 3.52Å; L608-F645 HydrophobicContact CD1-CD2 4.25Å; L608-F645 HydrophobicContact CD1-CG 3.95Å; L608-F645 HydrophobicContact CD2-CB 4.44Å; L608-F645 HydrophobicContact CG-CB 4.14Å; L608-E647 HydrophobicContact CD2-CG 4.34Å
609	Q	97.8	Very high	97.9	Very high	117 Å²	117	49 Å²	49	55%	0.547	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-44.5	174.3	-173.9	178.4	21.9	0	0	111.7	A605 K606 Q607 L611 N612 N613	A605-Q609 WeakPolarHBondContact O-CB 3.48Å; A605-Q609 PolarHBondContact O-N 3.01Å; K606-Q609 PolarHBondContact O-N 2.83Å; Q607-Q609 VanDerWaalsContact C-N 3.35Å; Q609-L611 VanDerWaalsContact C-N 3.3Å; Q609-L611 PolarHBondContact O-N 2.91Å; Q609-N612 PolarHBondContact O-N 3.4Å; Q609-N613 PolarHBondContact O-N 3.06Å; Q609-N613 PolarHBondContact O-ND2 2.82Å; Q609-N613 PolarHBondContact O-OD1 3.41Å
610	W	97.9	Very high	98	Very high	40 Å²	40	54.6 Å²	54.6	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-57.4	-45.9	174.9	-176.6	97.8	0	0	0	111.1	I484 Y593 K606 Q607 N612 N613 Y614	I484-W610 HydrophobicContact CB-CE3 4.22Å; I484-W610 HydrophobicContact CD1-CE3 3.92Å; I484-W610 HydrophobicContact CD1-CZ3 4.23Å; I484-W610 HydrophobicContact CG1-CD2 4.3Å; I484-W610 HydrophobicContact CG1-CE3 3.54Å; I484-W610 HydrophobicContact CG1-CH2 4.38Å; I484-W610 HydrophobicContact CG1-CZ3 3.61Å; I484-W610 HydrophobicContact CG2-CB 4.06Å; I484-W610 HydrophobicContact CG2-CD2 3.8Å; I484-W610 HydrophobicContact CG2-CE3 3.87Å; I484-W610 HydrophobicContact CG2-CG 3.89Å; Y593-W610 HydrophobicContact CE2-CZ3 4.32Å; K606-W610 WeakPolarHBondContact O-CB 3.45Å; K606-W610 PolarHBondContact O-N 3.34Å; Q607-W610 PolarHBondContact O-N 3.1Å; W610-N612 PolarHBondContact O-N 3.44Å; W610-N613 PolarHBondContact O-N 2.85Å; W610-Y614 HydrophobicContact CH2-CD2 4.3Å; W610-Y614 HydrophobicContact CH2-CG 4.17Å; W610-Y614 HydrophobicContact CZ3-CD1 4.43Å; W610-Y614 HydrophobicContact CZ3-CG 4.13Å; W610-Y614 WeakPolarHBondContact O-CB 3.21Å; W610-Y614 PolarHBondContact O-N 3.38Å
611	L	98.1	Very high	98	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-40.9	179.6	-179	57.2	0	0	0	112.4	L480 Y593 I598 L603 Q607 L608 Q609 Y614 Y615 F645	L480-L611 HydrophobicContact CD2-CD2 4.39Å; Y593-L611 HydrophobicContact CD2-CD1 3.62Å; Y593-L611 HydrophobicContact CE2-CD1 3.85Å; I598-L611 HydrophobicContact CD1-CD2 4.13Å; L603-L611 HydrophobicContact CD1-CD2 4.24Å; Q607-L611 WeakPolarHBondContact O-CB 3.48Å; Q607-L611 PolarHBondContact O-N 2.79Å; L608-L611 PolarHBondContact O-N 3.32Å; Q609-L611 VanDerWaalsContact C-N 3.3Å; Q609-L611 PolarHBondContact O-N 2.91Å; L611-Y614 HydrophobicContact CD1-CD1 4.36Å; L611-Y614 WeakPolarHBondContact O-CB 3.42Å; L611-Y614 PolarHBondContact O-N 2.83Å; L611-Y615 HydrophobicContact CD1-CD1 4.29Å; L611-Y615 HydrophobicContact CD1-CE1 3.67Å; L611-Y615 HydrophobicContact CD1-CE2 4.31Å; L611-Y615 HydrophobicContact CG-CE2 4.34Å; L611-Y615 PolarHBondContact O-N 3.39Å; L611-F645 HydrophobicContact CD2-CD2 3.7Å; L611-F645 HydrophobicContact CD2-CE2 3.33Å; L611-F645 HydrophobicContact CD2-CZ 4.19Å; L611-F645 HydrophobicContact CG-CD2 4.09Å; L611-F645 HydrophobicContact CG-CE2 3.87Å
612	N	98.3	Very high	98.1	Very high	34 Å²	34	50.7 Å²	50.7	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-42	174.5	-75.1	-19.7	0	0	0	112.1	L608 Q609 W610 Y614 Y615 E616 P644 F645	L608-N612 PolarHBondContact O-N 2.92Å; Q609-N612 PolarHBondContact O-N 3.4Å; W610-N612 PolarHBondContact O-N 3.44Å; N612-Y614 VanDerWaalsContact C-N 3.34Å; N612-Y615 PolarHBondContact O-N 2.93Å; N612-E616 PolarHBondContact O-N 2.89Å; N612-P644 VanDerWaalsContact OD1-CA 3.31Å; N612-P644 WeakPolarHBondContact OD1-CA 3.29Å; N612-F645 PolarHBondContact ND2-O 2.97Å; N612-F645 VanDerWaalsContact ND2-O 3.1Å; N612-F645 PolarHBondContact OD1-N 3.22Å
613	N	98.3	Very high	98.1	Very high	85 Å²	85	48.6 Å²	48.6	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-64.7	-39.6	175.9	-67.3	-13.2	0	0	0	111.6	Q609 W610 Y615 E616 M617	Q609-N613 PolarHBondContact O-N 3.06Å; Q609-N613 PolarHBondContact O-ND2 2.82Å; Q609-N613 PolarHBondContact O-OD1 3.41Å; W610-N613 PolarHBondContact O-N 2.85Å; N613-Y615 VanDerWaalsContact C-N 3.34Å; N613-E616 PolarHBondContact O-N 3.15Å; N613-M617 WeakPolarHBondContact O-CB 3.11Å; N613-M617 PolarHBondContact O-N 2.88Å
614	Y	98.6	Very high	98.2	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-44.9	174.3	172	-111.8	0	0	0	111.2	R461 T587 S589 V591 Y593 W610 L611 N612 E616 M617 I618	R461-Y614 PolarHBondContact NH2-OH 3.43Å; R461-Y614 VanDerWaalsContact NH2-OH 3.1Å; T587-Y614 HydrophobicContact CG2-CD2 4.38Å; T587-Y614 HydrophobicContact CG2-CE2 3.96Å; S589-Y614 WeakPolarHBondContact O-CE2 3.44Å; S589-Y614 PolarHBondContact O-OH 3.01Å; V591-Y614 PolarHBondContact N-OH 3.13Å; V591-Y614 VanDerWaalsContact N-OH 3.12Å; V591-Y614 PolarHBondContact O-OH 3.36Å; Y593-Y614 HydrophobicContact CD2-CD1 4.47Å; Y593-Y614 HydrophobicContact CD2-CE1 4.21Å; Y593-Y614 AromaticContact CE2-CD1 3.87Å; Y593-Y614 HydrophobicContact CE2-CD1 3.87Å; Y593-Y614 AromaticContact CE2-CE1 3.67Å; Y593-Y614 HydrophobicContact CE2-CE1 3.67Å; Y593-Y614 AromaticContact CZ-CE1 3.87Å; W610-Y614 HydrophobicContact CH2-CD2 4.3Å; W610-Y614 HydrophobicContact CH2-CG 4.17Å; W610-Y614 HydrophobicContact CZ3-CD1 4.43Å; W610-Y614 HydrophobicContact CZ3-CG 4.13Å; W610-Y614 WeakPolarHBondContact O-CB 3.21Å; W610-Y614 PolarHBondContact O-N 3.38Å; L611-Y614 HydrophobicContact CD1-CD1 4.36Å; L611-Y614 WeakPolarHBondContact O-CB 3.42Å; L611-Y614 PolarHBondContact O-N 2.83Å; N612-Y614 VanDerWaalsContact C-N 3.34Å; Y614-E616 PolarHBondContact O-N 3.1Å; Y614-M617 HydrophobicContact CD2-CE 3.72Å; Y614-M617 HydrophobicContact CE2-CE 4.18Å; Y614-M617 WeakPolarHBondContact O-CB 3.29Å; Y614-M617 PolarHBondContact O-N 3.43Å; Y614-I618 HydrophobicContact CD1-CD1 4.13Å; Y614-I618 HydrophobicContact CE1-CD1 3.56Å; Y614-I618 HydrophobicContact CE1-CG1 4.41Å; Y614-I618 HydrophobicContact CE2-CD1 4.29Å; Y614-I618 HydrophobicContact CE2-CG1 4.3Å; Y614-I618 WeakPolarHBondContact O-CG1 3.39Å; Y614-I618 PolarHBondContact O-N 3.22Å
615	Y	98.6	Very high	98.2	Very high	1 Å²	1	50 Å²	50	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-36.8	175.8	-73.6	-1.8	0	0	0	113.6	P592 Y593 L611 N612 N613 M617 I618 R619 T642 F645	P592-Y615 HydrophobicContact CB-CE1 4.15Å; Y593-Y615 HydrophobicContact CD2-CE1 4.36Å; Y593-Y615 PolarHBondContact O-OH 3.31Å; L611-Y615 HydrophobicContact CD1-CD1 4.29Å; L611-Y615 HydrophobicContact CD1-CE1 3.67Å; L611-Y615 HydrophobicContact CD1-CE2 4.31Å; L611-Y615 HydrophobicContact CG-CE2 4.34Å; L611-Y615 PolarHBondContact O-N 3.39Å; N612-Y615 PolarHBondContact O-N 2.93Å; N613-Y615 VanDerWaalsContact C-N 3.34Å; Y615-M617 VanDerWaalsContact C-N 3.34Å; Y615-I618 HydrophobicContact CD1-CD1 4.12Å; Y615-I618 PolarHBondContact O-N 2.93Å; Y615-R619 WeakPolarHBondContact O-CG 3.36Å; Y615-R619 PolarHBondContact O-N 3.29Å; Y615-T642 HydrophobicContact CD1-CG2 4.45Å; Y615-T642 HydrophobicContact CG-CG2 4.36Å; Y615-F645 HydrophobicContact CD2-CE2 4.43Å; Y615-F645 HydrophobicContact CE2-CD2 4.14Å; Y615-F645 AromaticContact CE2-CE2 3.49Å; Y615-F645 HydrophobicContact CE2-CE2 3.49Å; Y615-F645 VanDerWaalsContact CE2-CE2 3.49Å; Y615-F645 HydrophobicContact CE2-CZ 4.34Å
616	E	98.5	Very high	98.3	Very high	125 Å²	125	46.8 Å²	46.8	58%	0.584	22%	0.219	S	C	*	.	H	α-helix	trans	-63.1	-41.7	171.3	-174.1	178.6	-177.4	0	0	111.6	N612 N613 Y614 I618 R619 R620	N612-E616 PolarHBondContact O-N 2.89Å; N613-E616 PolarHBondContact O-N 3.15Å; Y614-E616 PolarHBondContact O-N 3.1Å; E616-I618 PolarHBondContact O-N 3.24Å; E616-R619 WeakPolarHBondContact O-CB 3.48Å; E616-R619 PolarHBondContact O-N 2.98Å; E616-R620 WeakPolarHBondContact O-CB 3.49Å; E616-R620 PolarHBondContact O-N 3.42Å
617	M	98.5	Very high	98.4	Very high	26 Å²	26	44.5 Å²	44.5	13%	0.128	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-44.1	176.1	-179.2	172.9	63.2	0	0	112.1	L590 N613 Y614 Y615 R619 R620 L621	L590-M617 HydrophobicContact CD2-CE 3.63Å; L590-M617 HydrophobicContact CD2-CG 3.89Å; L590-M617 HydrophobicContact CD2-SD 4.19Å; N613-M617 WeakPolarHBondContact O-CB 3.11Å; N613-M617 PolarHBondContact O-N 2.88Å; Y614-M617 HydrophobicContact CD2-CE 3.72Å; Y614-M617 HydrophobicContact CE2-CE 4.18Å; Y614-M617 WeakPolarHBondContact O-CB 3.29Å; Y614-M617 PolarHBondContact O-N 3.43Å; Y615-M617 VanDerWaalsContact C-N 3.34Å; M617-R619 VanDerWaalsContact C-N 3.34Å; M617-R619 PolarHBondContact O-N 3.15Å; M617-R620 PolarHBondContact O-N 3.49Å; M617-L621 HydrophobicContact CG-CD1 3.64Å; M617-L621 HydrophobicContact CG-CG 4.24Å; M617-L621 WeakPolarHBondContact O-CB 3.47Å; M617-L621 WeakPolarHBondContact O-CG 3.43Å; M617-L621 PolarHBondContact O-N 3.29Å; M617-L621 HydrophobicContact SD-CD1 4.26Å
618	I	98.8	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-50.2	174.1	-66.1	171.5	0	0	0	110.3	L590 P592 Y614 Y615 E616 R620 L621 V622 M638 T642	L590-I618 HydrophobicContact CB-CG1 4.2Å; L590-I618 HydrophobicContact CD2-CG1 4.24Å; P592-I618 HydrophobicContact CB-CD1 4.33Å; Y614-I618 HydrophobicContact CD1-CD1 4.13Å; Y614-I618 HydrophobicContact CE1-CD1 3.56Å; Y614-I618 HydrophobicContact CE1-CG1 4.41Å; Y614-I618 HydrophobicContact CE2-CD1 4.29Å; Y614-I618 HydrophobicContact CE2-CG1 4.3Å; Y614-I618 WeakPolarHBondContact O-CG1 3.39Å; Y614-I618 PolarHBondContact O-N 3.22Å; Y615-I618 HydrophobicContact CD1-CD1 4.12Å; Y615-I618 PolarHBondContact O-N 2.93Å; E616-I618 PolarHBondContact O-N 3.24Å; I618-R620 VanDerWaalsContact C-N 3.29Å; I618-R620 PolarHBondContact O-N 2.94Å; I618-L621 PolarHBondContact O-N 2.96Å; I618-V622 HydrophobicContact CG2-CB 4.32Å; I618-V622 HydrophobicContact CG2-CG2 4.14Å; I618-V622 WeakPolarHBondContact O-CB 3.39Å; I618-V622 PolarHBondContact O-N 2.96Å; I618-M638 HydrophobicContact CG2-CG 3.81Å; I618-M638 HydrophobicContact CG2-SD 4Å; I618-T642 HydrophobicContact CB-CG2 4.12Å; I618-T642 HydrophobicContact CD1-CG2 4.16Å; I618-T642 HydrophobicContact CG2-CG2 3.91Å
619	R	98.7	Very high	98.5	Very high	71 Å²	71	54.3 Å²	54.3	27%	0.268	26%	0.256	S	S	.	.	H	α-helix	trans	-57.8	-44.3	-179.7	-67.3	168.7	177.4	-113.5	-3.1	111.8	Y615 E616 M617 G623 M638 L639 T642 Q643	Y615-R619 WeakPolarHBondContact O-CG 3.36Å; Y615-R619 PolarHBondContact O-N 3.29Å; E616-R619 WeakPolarHBondContact O-CB 3.48Å; E616-R619 PolarHBondContact O-N 2.98Å; M617-R619 VanDerWaalsContact C-N 3.34Å; M617-R619 PolarHBondContact O-N 3.15Å; R619-G623 WeakPolarHBondContact O-CA 3.2Å; R619-G623 PolarHBondContact O-N 3.44Å; R619-M638 HydrophobicContact CB-SD 4.31Å; R619-M638 HydrophobicContact CG-CE 4.45Å; R619-M638 HydrophobicContact CG-SD 3.72Å; R619-L639 HydrophobicContact CG-CD2 4.17Å; R619-L639 PolarHBondContact NH2-O 3.13Å; R619-T642 WeakPolarHBondContact CG-OG1 3.25Å; R619-T642 PolarHBondContact NE-O 3.44Å; R619-T642 PolarHBondContact NE-OG1 2.92Å; R619-T642 PolarHBondContact NH2-O 3.42Å; R619-T642 PolarHBondContact NH2-OG1 3.29Å; R619-Q643 VanDerWaalsContact NH2-CA 3.31Å; R619-Q643 VanDerWaalsContact NH2-CD 3.33Å
620	R	98.6	Very high	98.5	Very high	159 Å²	159	51.7 Å²	51.7	60%	0.6	26%	0.261	S	S	*	.	H	α-helix	trans	-67.1	-40	-177.7	-175.9	180	67	-163.5	-0.6	112.7	E616 M617 I618 P624	E616-R620 WeakPolarHBondContact O-CB 3.49Å; E616-R620 PolarHBondContact O-N 3.42Å; M617-R620 PolarHBondContact O-N 3.49Å; I618-R620 VanDerWaalsContact C-N 3.29Å; I618-R620 PolarHBondContact O-N 2.94Å; R620-P624 VanDerWaalsContact O-CD 3.25Å; R620-P624 WeakPolarHBondContact O-CD 3.48Å; R620-P624 WeakPolarHBondContact O-CG 3.14Å
621	L	98.6	Very high	98.5	Very high	70 Å²	70	51.2 Å²	51.2	37%	0.366	26%	0.261	S	S	.	.	H	α-helix	trans	-96.1	-40.7	-171.2	-63.4	-178.7	0	0	0	113.2	V367 L590 M617 I618	V367-L621 HydrophobicContact CG2-CB 4.44Å; L590-L621 HydrophobicContact CD1-CB 3.81Å; L590-L621 HydrophobicContact CD1-CD1 3.81Å; L590-L621 HydrophobicContact CD1-CG 4.47Å; L590-L621 HydrophobicContact CD2-CD1 4.28Å; M617-L621 HydrophobicContact CG-CD1 3.64Å; M617-L621 HydrophobicContact CG-CG 4.24Å; M617-L621 WeakPolarHBondContact O-CB 3.47Å; M617-L621 WeakPolarHBondContact O-CG 3.43Å; M617-L621 PolarHBondContact O-N 3.29Å; M617-L621 HydrophobicContact SD-CD1 4.26Å; I618-L621 PolarHBondContact O-N 2.96Å
622	V	98.8	Very high	98.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-87.3	-33.2	-177.2	-173.9	0	0	0	0	111.7	A370 V371 I374 L590 I618 E625 L626	A370-V622 HydrophobicContact CB-CG1 4.39Å; A370-V622 HydrophobicContact CB-CG2 4.05Å; V371-V622 HydrophobicContact CG2-CG1 4.33Å; I374-V622 HydrophobicContact CD1-CG1 3.81Å; L590-V622 HydrophobicContact CB-CG2 3.57Å; L590-V622 HydrophobicContact CD1-CG2 4.04Å; L590-V622 HydrophobicContact CG-CG2 4.42Å; I618-V622 HydrophobicContact CG2-CB 4.32Å; I618-V622 HydrophobicContact CG2-CG2 4.14Å; I618-V622 WeakPolarHBondContact O-CB 3.39Å; I618-V622 PolarHBondContact O-N 2.96Å; V622-E625 PolarHBondContact O-N 2.64Å; V622-E625 VanDerWaalsContact O-N 3.12Å; V622-L626 HydrophobicContact CG1-CD1 3.99Å; V622-L626 HydrophobicContact CG1-CG 4.13Å; V622-L626 PolarHBondContact O-N 2.75Å
623	G	98.5	Very high	98.6	Very high	5 Å²	5	59.3 Å²	59.3	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-51.9	-50.6	179.1	0	0	0	0	0	114	R619 E625 L626 D627	R619-G623 WeakPolarHBondContact O-CA 3.2Å; R619-G623 PolarHBondContact O-N 3.44Å; G623-E625 VanDerWaalsContact C-N 3.34Å; G623-E625 PolarHBondContact O-N 3.14Å; G623-L626 PolarHBondContact O-N 3.32Å; G623-D627 PolarHBondContact O-N 3.49Å
624	P	98.6	Very high	98.6	Very high	74 Å²	74	56.3 Å²	56.3	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-34	177.1	-25.7	35.9	0	0	0	114.5	R620 D627 K628	R620-P624 VanDerWaalsContact O-CD 3.25Å; R620-P624 WeakPolarHBondContact O-CD 3.48Å; R620-P624 WeakPolarHBondContact O-CG 3.14Å; P624-D627 PolarHBondContact O-N 3.08Å; P624-K628 WeakPolarHBondContact O-CB 3.39Å; P624-K628 PolarHBondContact O-N 2.79Å
625	E	98.6	Very high	98.6	Very high	28 Å²	28	58.1 Å²	58.1	13%	0.131	29%	0.289	C	S	.	.	H	α-helix	trans	-71.7	-37.2	177.3	-175.8	61.2	-156.1	0	0	111.1	V367 V371 V622 G623 K628 Q629	V367-E625 HydrophobicContact CG1-CB 3.73Å; V367-E625 HydrophobicContact CG1-CG 4.08Å; V371-E625 HydrophobicContact CG2-CG 4.05Å; V622-E625 PolarHBondContact O-N 2.64Å; V622-E625 VanDerWaalsContact O-N 3.12Å; G623-E625 VanDerWaalsContact C-N 3.34Å; G623-E625 PolarHBondContact O-N 3.14Å; E625-K628 PolarHBondContact O-N 3.26Å; E625-K628 IonicContact OE1-NZ 2.87Å; E625-K628 WeakPolarHBondContact OE2-CD 3.45Å; E625-K628 IonicContact OE2-NZ 2.89Å; E625-K628 PolarHBondContact OE2-NZ 3.17Å; E625-Q629 WeakPolarHBondContact O-CG 3.31Å; E625-Q629 PolarHBondContact O-N 3.39Å; E625-Q629 PolarHBondContact OE1-NE2 3.14Å
626	L	98.8	Very high	98.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-42.9	171.6	-69.2	169.5	0	0	0	112	V371 V622 G623 K628 Q629 G630 L631 E634 K635 M638	V371-L626 HydrophobicContact CB-CD2 4.27Å; V371-L626 HydrophobicContact CG1-CD2 3.77Å; V371-L626 HydrophobicContact CG2-CD2 3.83Å; V371-L626 HydrophobicContact CG2-CG 4.25Å; V622-L626 HydrophobicContact CG1-CD1 3.99Å; V622-L626 HydrophobicContact CG1-CG 4.13Å; V622-L626 PolarHBondContact O-N 2.75Å; G623-L626 PolarHBondContact O-N 3.32Å; L626-K628 VanDerWaalsContact C-N 3.35Å; L626-K628 PolarHBondContact O-N 3.05Å; L626-Q629 PolarHBondContact O-N 3.32Å; L626-G630 PolarHBondContact O-N 3.09Å; L626-G630 VanDerWaalsContact O-N 3.09Å; L626-L631 HydrophobicContact CB-CB 4.47Å; L626-L631 HydrophobicContact CD2-CB 3.94Å; L626-L631 HydrophobicContact CD2-CD1 4Å; L626-L631 PolarHBondContact O-N 3.45Å; L626-E634 HydrophobicContact CD2-CB 3.83Å; L626-K635 HydrophobicContact CB-CB 4.14Å; L626-K635 HydrophobicContact CD1-CB 4.07Å; L626-M638 HydrophobicContact CD1-CB 4.34Å; L626-M638 HydrophobicContact CD1-CE 4.42Å
627	D	98.6	Very high	98.6	Very high	78 Å²	78	55.8 Å²	55.8	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-46.3	175	-73.7	-35.8	0	0	0	111.5	G623 P624 Q629 G630 K635	G623-D627 PolarHBondContact O-N 3.49Å; P624-D627 PolarHBondContact O-N 3.08Å; D627-Q629 VanDerWaalsContact C-N 3.28Å; D627-Q629 PolarHBondContact O-N 3.18Å; D627-G630 PolarHBondContact O-N 2.86Å; D627-K635 WeakPolarHBondContact OD1-CD 3.46Å; D627-K635 WeakPolarHBondContact OD1-CE 3.26Å; D627-K635 IonicContact OD1-NZ 3.84Å; D627-K635 PolarHBondContact OD1-NZ 3.05Å; D627-K635 IonicContact OD2-NZ 2.77Å; D627-K635 PolarHBondContact OD2-NZ 2.71Å
628	K	98.5	Very high	98.6	Very high	157 Å²	157	54.6 Å²	54.6	68%	0.683	27%	0.274	S	S	*	.	H	α-helix	trans	-63.2	-33	179.2	178.6	-178.1	157.5	-149.2	0	112.8	P624 E625 L626 G630	P624-K628 WeakPolarHBondContact O-CB 3.39Å; P624-K628 PolarHBondContact O-N 2.79Å; E625-K628 PolarHBondContact O-N 3.26Å; E625-K628 IonicContact OE1-NZ 2.87Å; E625-K628 WeakPolarHBondContact OE2-CD 3.45Å; E625-K628 IonicContact OE2-NZ 2.89Å; E625-K628 PolarHBondContact OE2-NZ 3.17Å; L626-K628 VanDerWaalsContact C-N 3.35Å; L626-K628 PolarHBondContact O-N 3.05Å; K628-G630 VanDerWaalsContact C-N 3.33Å
629	Q	98.5	Very high	98.6	Very high	66 Å²	66	57.2 Å²	57.2	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-84.4	-4.4	175	-65.2	-171.2	31.1	0	0	113.3	E625 L626 D627 L631	E625-Q629 WeakPolarHBondContact O-CG 3.31Å; E625-Q629 PolarHBondContact O-N 3.39Å; E625-Q629 PolarHBondContact OE1-NE2 3.14Å; L626-Q629 PolarHBondContact O-N 3.32Å; D627-Q629 VanDerWaalsContact C-N 3.28Å; D627-Q629 PolarHBondContact O-N 3.18Å; Q629-L631 HydrophobicContact CB-CD1 3.78Å; Q629-L631 HydrophobicContact CB-CG 3.82Å
630	G	98.5	Very high	98.6	Very high	63 Å²	63	60.5 Å²	60.5	65%	0.649	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	25.3	-178.5	0	0	0	0	0	114.2	L626 D627 K628 Q632	L626-G630 PolarHBondContact O-N 3.09Å; L626-G630 VanDerWaalsContact O-N 3.09Å; D627-G630 PolarHBondContact O-N 2.86Å; K628-G630 VanDerWaalsContact C-N 3.33Å; G630-Q632 PolarHBondContact O-N 2.86Å
631	L	98.6	Very high	98.5	Very high	29 Å²	29	54.5 Å²	54.5	15%	0.152	28%	0.28	C	S	.	.			trans	-97.8	66.5	-172.2	-64	177.9	0	0	0	111.7	V371 L626 Q629 E633 E634 K635	V371-L631 HydrophobicContact CG1-CD1 3.47Å; V371-L631 VanDerWaalsContact CG1-CD1 3.47Å; L626-L631 HydrophobicContact CB-CB 4.47Å; L626-L631 HydrophobicContact CD2-CB 3.94Å; L626-L631 HydrophobicContact CD2-CD1 4Å; L626-L631 PolarHBondContact O-N 3.45Å; Q629-L631 HydrophobicContact CB-CD1 3.78Å; Q629-L631 HydrophobicContact CB-CG 3.82Å; L631-E633 PolarHBondContact O-N 3.44Å; L631-E634 HydrophobicContact CB-CB 4.15Å; L631-E634 HydrophobicContact CB-CG 4.32Å; L631-E634 WeakPolarHBondContact CB-OE2 3.46Å; L631-K635 PolarHBondContact O-N 3.39Å
632	Q	98.6	Very high	98.5	Very high	102 Å²	102	51.2 Å²	51.2	48%	0.477	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-37.4	-174.8	-174.6	61.3	55.1	0	0	113	G630 K635 D636	G630-Q632 PolarHBondContact O-N 2.86Å; Q632-K635 PolarHBondContact O-N 2.79Å; Q632-D636 PolarHBondContact NE2-OD1 3.33Å; Q632-D636 VanDerWaalsContact O-CG 3.29Å; Q632-D636 PolarHBondContact O-N 3.15Å
633	E	98.5	Very high	98.4	Very high	102 Å²	102	55.5 Å²	55.5	48%	0.477	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-42.3	-177.9	-166	-177.7	-163.4	0	0	111.4	M378 K382 L631 K635 D636 W637	M378-E633 HydrophobicContact CE-CG 4.46Å; M378-E633 HydrophobicContact SD-CB 4.29Å; M378-E633 HydrophobicContact SD-CG 3.83Å; K382-E633 WeakPolarHBondContact CE-OE1 3.33Å; K382-E633 IonicContact NZ-OE1 3.67Å; K382-E633 PolarHBondContact NZ-OE1 2.89Å; K382-E633 IonicContact NZ-OE2 2.72Å; K382-E633 PolarHBondContact NZ-OE2 3.18Å; L631-E633 PolarHBondContact O-N 3.44Å; E633-K635 VanDerWaalsContact C-N 3.33Å; E633-D636 PolarHBondContact O-N 2.99Å; E633-W637 WeakPolarHBondContact O-CB 3.37Å; E633-W637 PolarHBondContact O-N 3.07Å
634	E	98.7	Very high	98.3	Very high	23 Å²	23	59 Å²	59	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-39.7	173.5	-68.4	83	168.3	0	0	111.5	I374 Q375 M378 L626 L631 W637 M638	I374-E634 HydrophobicContact CG2-CB 3.98Å; I374-E634 HydrophobicContact CG2-CG 4.37Å; Q375-E634 HydrophobicContact CG-CG 3.75Å; Q375-E634 PolarHBondContact NE2-OE1 3.37Å; M378-E634 HydrophobicContact CE-CG 3.65Å; M378-E634 HydrophobicContact SD-CG 4.1Å; L626-E634 HydrophobicContact CD2-CB 3.83Å; L631-E634 HydrophobicContact CB-CB 4.15Å; L631-E634 HydrophobicContact CB-CG 4.32Å; L631-E634 WeakPolarHBondContact CB-OE2 3.46Å; E634-W637 WeakPolarHBondContact O-CB 3.23Å; E634-W637 PolarHBondContact O-N 3.09Å; E634-M638 WeakPolarHBondContact O-CB 3.47Å; E634-M638 PolarHBondContact O-N 3.24Å
635	K	98.7	Very high	98	Very high	42 Å²	42	56.6 Å²	56.6	18%	0.183	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-45.7	174.5	-179.7	172.9	169.8	179.4	0	111.4	L626 D627 L631 Q632 E633 W637 M638 L639	L626-K635 HydrophobicContact CB-CB 4.14Å; L626-K635 HydrophobicContact CD1-CB 4.07Å; D627-K635 WeakPolarHBondContact OD1-CD 3.46Å; D627-K635 WeakPolarHBondContact OD1-CE 3.26Å; D627-K635 IonicContact OD1-NZ 3.84Å; D627-K635 PolarHBondContact OD1-NZ 3.05Å; D627-K635 IonicContact OD2-NZ 2.77Å; D627-K635 PolarHBondContact OD2-NZ 2.71Å; L631-K635 PolarHBondContact O-N 3.39Å; Q632-K635 PolarHBondContact O-N 2.79Å; E633-K635 VanDerWaalsContact C-N 3.33Å; K635-W637 VanDerWaalsContact C-N 3.3Å; K635-W637 PolarHBondContact O-N 3.31Å; K635-M638 HydrophobicContact CG-CE 4.5Å; K635-M638 PolarHBondContact O-N 2.71Å; K635-L639 HydrophobicContact CG-CD1 4.27Å; K635-L639 HydrophobicContact CG-CG 4.49Å; K635-L639 WeakPolarHBondContact O-CB 3.3Å; K635-L639 VanDerWaalsContact O-CG 3.28Å; K635-L639 WeakPolarHBondContact O-CG 3.22Å; K635-L639 PolarHBondContact O-N 2.88Å
636	D	98.7	Very high	97.4	Very high	64 Å²	64	60.5 Å²	60.5	34%	0.342	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-38.8	176.9	-66.5	-16.8	0	0	0	111.3	Q632 E633 L639 R640	Q632-D636 PolarHBondContact NE2-OD1 3.33Å; Q632-D636 VanDerWaalsContact O-CG 3.29Å; Q632-D636 PolarHBondContact O-N 3.15Å; E633-D636 PolarHBondContact O-N 2.99Å; D636-L639 PolarHBondContact O-N 3.03Å; D636-R640 WeakPolarHBondContact O-CG 3.3Å; D636-R640 PolarHBondContact O-N 3.48Å; D636-R640 PolarHBondContact O-NH1 3.46Å
637	W	98.6	Very high	95.8	Very high	13 Å²	13	66.4 Å²	66.4	5%	0.049	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-46.7	173	-176.1	95.5	0	0	0	112	I374 L377 M378 E381 P592 E633 E634 K635 L639 R640 N641	I374-W637 HydrophobicContact CB-CZ3 4.42Å; I374-W637 HydrophobicContact CG1-CZ3 4.07Å; I374-W637 HydrophobicContact CG2-CE3 3.7Å; I374-W637 HydrophobicContact CG2-CZ3 4.05Å; L377-W637 HydrophobicContact CB-CH2 3.75Å; L377-W637 HydrophobicContact CB-CZ2 3.78Å; L377-W637 HydrophobicContact CD1-CH2 3.95Å; M378-W637 HydrophobicContact CB-CD2 4.17Å; M378-W637 HydrophobicContact CB-CG 3.95Å; M378-W637 HydrophobicContact CG-CB 4.23Å; M378-W637 HydrophobicContact CG-CG 3.96Å; M378-W637 HydrophobicContact SD-CB 4.08Å; M378-W637 HydrophobicContact SD-CG 4.43Å; E381-W637 PolarHBondContact OE2-NE1 3.26Å; P592-W637 HydrophobicContact CG-CH2 4.09Å; P592-W637 HydrophobicContact CG-CZ3 3.84Å; E633-W637 WeakPolarHBondContact O-CB 3.37Å; E633-W637 PolarHBondContact O-N 3.07Å; E634-W637 WeakPolarHBondContact O-CB 3.23Å; E634-W637 PolarHBondContact O-N 3.09Å; K635-W637 VanDerWaalsContact C-N 3.3Å; K635-W637 PolarHBondContact O-N 3.31Å; W637-L639 PolarHBondContact O-N 3.37Å; W637-R640 PolarHBondContact O-N 3.22Å; W637-N641 HydrophobicContact CH2-CB 4.4Å; W637-N641 HydrophobicContact CZ3-CB 4.38Å; W637-N641 PolarHBondContact NE1-ND2 3.23Å; W637-N641 PolarHBondContact O-N 3.44Å; W637-N641 PolarHBondContact O-ND2 3.11Å
638	M	98.6	Very high	93.6	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-45.2	176.8	177.7	-80.3	-70.6	0	0	110.8	I374 I618 R619 L626 E634 K635 R640 N641 T642	I374-M638 HydrophobicContact CD1-CB 4.35Å; I374-M638 HydrophobicContact CD1-CG 4.25Å; I618-M638 HydrophobicContact CG2-CG 3.81Å; I618-M638 HydrophobicContact CG2-SD 4Å; R619-M638 HydrophobicContact CB-SD 4.31Å; R619-M638 HydrophobicContact CG-CE 4.45Å; R619-M638 HydrophobicContact CG-SD 3.72Å; L626-M638 HydrophobicContact CD1-CB 4.34Å; L626-M638 HydrophobicContact CD1-CE 4.42Å; E634-M638 WeakPolarHBondContact O-CB 3.47Å; E634-M638 PolarHBondContact O-N 3.24Å; K635-M638 HydrophobicContact CG-CE 4.5Å; K635-M638 PolarHBondContact O-N 2.71Å; M638-R640 VanDerWaalsContact C-N 3.33Å; M638-R640 PolarHBondContact O-N 3.32Å; M638-N641 PolarHBondContact O-N 2.93Å; M638-T642 HydrophobicContact CG-CG2 4.22Å; M638-T642 WeakPolarHBondContact O-CB 3.29Å; M638-T642 VanDerWaalsContact O-CG2 3.3Å; M638-T642 WeakPolarHBondContact O-CG2 3.35Å; M638-T642 PolarHBondContact O-N 3.37Å; M638-T642 PolarHBondContact O-OG1 3.5Å; M638-T642 HydrophobicContact SD-CG2 4.01Å
639	L	98.6	Very high	91.2	Very high	55 Å²	55	63 Å²	63	29%	0.288	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-35	178.3	-72.5	176.1	0	0	0	113	R619 K635 D636 W637 Q643	R619-L639 HydrophobicContact CG-CD2 4.17Å; R619-L639 PolarHBondContact NH2-O 3.13Å; K635-L639 HydrophobicContact CG-CD1 4.27Å; K635-L639 HydrophobicContact CG-CG 4.49Å; K635-L639 WeakPolarHBondContact O-CB 3.3Å; K635-L639 VanDerWaalsContact O-CG 3.28Å; K635-L639 WeakPolarHBondContact O-CG 3.22Å; K635-L639 PolarHBondContact O-N 2.88Å; D636-L639 PolarHBondContact O-N 3.03Å; W637-L639 PolarHBondContact O-N 3.37Å; L639-Q643 PolarHBondContact O-NE2 2.59Å
640	R	98	Very high	88.5	Confident	140 Å²	140	62.6 Å²	62.6	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-70.3	-42.4	174.2	-72.1	-171.5	-55.9	-87.2	4.1	111.8	D636 W637 M638 T642 Q643	D636-R640 WeakPolarHBondContact O-CG 3.3Å; D636-R640 PolarHBondContact O-N 3.48Å; D636-R640 PolarHBondContact O-NH1 3.46Å; W637-R640 PolarHBondContact O-N 3.22Å; M638-R640 VanDerWaalsContact C-N 3.33Å; M638-R640 PolarHBondContact O-N 3.32Å; R640-T642 VanDerWaalsContact C-N 3.32Å; R640-T642 PolarHBondContact O-N 2.72Å; R640-Q643 WeakPolarHBondContact O-CG 3.17Å
641	N	98	Very high	85.6	Confident	33 Å²	33	64.9 Å²	64.9	18%	0.176	37%	0.367	C	S	.	.	H	α-helix	trans	-81.7	-9.2	-176.1	-74.8	-72.8	0	0	0	114.4	P592 W637 M638	P592-N641 HydrophobicContact CB-CB 4.26Å; P592-N641 HydrophobicContact CG-CB 3.97Å; W637-N641 HydrophobicContact CH2-CB 4.4Å; W637-N641 HydrophobicContact CZ3-CB 4.38Å; W637-N641 PolarHBondContact NE1-ND2 3.23Å; W637-N641 PolarHBondContact O-N 3.44Å; W637-N641 PolarHBondContact O-ND2 3.11Å; M638-N641 PolarHBondContact O-N 2.93Å
642	T	98.4	Very high	82.8	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	19.9	176.7	55.8	0	0	0	0	112.6	P592 Y615 I618 R619 M638 R640	P592-T642 HydrophobicContact CB-CG2 4.03Å; P592-T642 HydrophobicContact CG-CG2 4.34Å; Y615-T642 HydrophobicContact CD1-CG2 4.45Å; Y615-T642 HydrophobicContact CG-CG2 4.36Å; I618-T642 HydrophobicContact CB-CG2 4.12Å; I618-T642 HydrophobicContact CD1-CG2 4.16Å; I618-T642 HydrophobicContact CG2-CG2 3.91Å; R619-T642 WeakPolarHBondContact CG-OG1 3.25Å; R619-T642 PolarHBondContact NE-O 3.44Å; R619-T642 PolarHBondContact NE-OG1 2.92Å; R619-T642 PolarHBondContact NH2-O 3.42Å; R619-T642 PolarHBondContact NH2-OG1 3.29Å; M638-T642 HydrophobicContact CG-CG2 4.22Å; M638-T642 WeakPolarHBondContact O-CB 3.29Å; M638-T642 VanDerWaalsContact O-CG2 3.3Å; M638-T642 WeakPolarHBondContact O-CG2 3.35Å; M638-T642 PolarHBondContact O-N 3.37Å; M638-T642 PolarHBondContact O-OG1 3.5Å; M638-T642 HydrophobicContact SD-CG2 4.01Å; R640-T642 VanDerWaalsContact C-N 3.32Å; R640-T642 PolarHBondContact O-N 2.72Å
643	Q	97.1	Very high	80	Confident	90 Å²	90	66.5 Å²	66.5	42%	0.421	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-62.8	142.7	175	-69.4	-64.9	-32.6	0	0	110.6	R595 R619 L639 R640	R595-Q643 PolarHBondContact NH1-O 2.77Å; R619-Q643 VanDerWaalsContact NH2-CA 3.31Å; R619-Q643 VanDerWaalsContact NH2-CD 3.33Å; L639-Q643 PolarHBondContact O-NE2 2.59Å; R640-Q643 WeakPolarHBondContact O-CG 3.17Å
644	P	95.6	Very high	77.1	Confident	78 Å²	78	67 Å²	67	51%	0.506	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-63.3	144.7	177.8	26.9	-33.5	0	0	0	110.6	N612	N612-P644 VanDerWaalsContact OD1-CA 3.31Å; N612-P644 WeakPolarHBondContact OD1-CA 3.29Å
645	F	92.9	Very high	74.3	Confident	23 Å²	23	70.8 Å²	70.8	10%	0.101	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-75.2	133.5	164.5	-68	-85.9	0	0	0	109.2	R595 I598 T600 L608 L611 N612 Y615	R595-F645 HydrophobicContact CB-CZ 4.24Å; R595-F645 HydrophobicContact CG-CZ 4.02Å; I598-F645 HydrophobicContact CB-CZ 4.42Å; I598-F645 HydrophobicContact CD1-CE2 4.34Å; I598-F645 HydrophobicContact CD1-CZ 3.88Å; I598-F645 HydrophobicContact CG2-CZ 4.39Å; T600-F645 HydrophobicContact CG2-CD1 3.55Å; T600-F645 HydrophobicContact CG2-CE1 3.97Å; T600-F645 HydrophobicContact CG2-CG 4.18Å; L608-F645 HydrophobicContact CD1-CB 3.52Å; L608-F645 HydrophobicContact CD1-CD2 4.25Å; L608-F645 HydrophobicContact CD1-CG 3.95Å; L608-F645 HydrophobicContact CD2-CB 4.44Å; L608-F645 HydrophobicContact CG-CB 4.14Å; L611-F645 HydrophobicContact CD2-CD2 3.7Å; L611-F645 HydrophobicContact CD2-CE2 3.33Å; L611-F645 HydrophobicContact CD2-CZ 4.19Å; L611-F645 HydrophobicContact CG-CD2 4.09Å; L611-F645 HydrophobicContact CG-CE2 3.87Å; N612-F645 PolarHBondContact ND2-O 2.97Å; N612-F645 VanDerWaalsContact ND2-O 3.1Å; N612-F645 PolarHBondContact OD1-N 3.22Å; Y615-F645 HydrophobicContact CD2-CE2 4.43Å; Y615-F645 HydrophobicContact CE2-CD2 4.14Å; Y615-F645 AromaticContact CE2-CE2 3.49Å; Y615-F645 HydrophobicContact CE2-CE2 3.49Å; Y615-F645 VanDerWaalsContact CE2-CE2 3.49Å; Y615-F645 HydrophobicContact CE2-CZ 4.34Å
646	T	84.6	Confident	71.5	Confident	110 Å²	110	72.4 Å²	72.4	68%	0.675	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-74.5	133.1	173.6	51	0	0	0	0	109.8	A648	T646-A648 PolarHBondContact O-N 2.74Å
647	E	65	Low	68.8	Low	125 Å²	125	73 Å²	73	58%	0.584	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-58.4	130	167.3	-69.5	-177	171.5	0	0	109.5	L608 G649 S650	L608-E647 HydrophobicContact CD2-CG 4.34Å; E647-G649 PolarHBondContact O-N 2.71Å; E647-S650 PolarHBondContact O-N 2.68Å; E647-S650 PolarHBondContact O-OG 2.99Å
648	A	54.1	Low	66.3	Low	107 Å²	107	75.8 Å²	75.8	88%	0.884	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	88.1	171.3	0	0	0	0	0	108.7	T646	T646-A648 PolarHBondContact O-N 2.74Å
649	G	47	Very low	63.7	Low	57 Å²	57	81.9 Å²	81.9	59%	0.588	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	162.4	-19.4	-174.9	0	0	0	0	0	115	E647	E647-G649 PolarHBondContact O-N 2.71Å
650	S	41.6	Very low	61	Low	57 Å²	57	85.4 Å²	85.4	40%	0.399	53%	0.532	S	S	.	.	S	Bend	trans	-90	-12.2	-177.9	63.3	0	0	0	0	115.3	E647 A652	E647-S650 PolarHBondContact O-N 2.68Å; E647-S650 PolarHBondContact O-OG 2.99Å; S650-A652 VanDerWaalsContact C-N 3.3Å; S650-A652 PolarHBondContact O-N 3.05Å
651	S	38.6	Very low	58.5	Low	110 Å²	110	85 Å²	85	77%	0.769	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8	178.5	47.9	0	0	0	0	114.3
652	A	38.4	Very low	56.2	Low	88 Å²	88	88.5 Å²	88.5	73%	0.727	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-10.2	177.7	0	0	0	0	0	114.4	S650	S650-A652 VanDerWaalsContact C-N 3.3Å; S650-A652 PolarHBondContact O-N 3.05Å
653	S	39.7	Very low	53.9	Low	78 Å²	78	91.4 Å²	91.4	55%	0.545	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.5	-8.2	-174.2	58.1	0	0	0	0	115.5
654	V	39.1	Very low	51.5	Low	112 Å²	112	92.4 Å²	92.4	68%	0.679	59%	0.589	S	S	*	*	S	Bend	trans	-93.1	-8.1	-178.5	-172.9	0	0	0	0	113.4
655	C	38.8	Very low	49.5	Very low	102 Å²	102	92.9 Å²	92.9	69%	0.689	59%	0.59	S	S	*	*	S	Bend	trans	-104.7	2.5	177.6	-96.4	0	0	0	0	115.9
656	S	41	Very low	47.5	Very low	76 Å²	76	98.9 Å²	98.9	53%	0.531	62%	0.616	S	S	.	*	S	Bend	trans	-106.2	-23.3	-176.7	-169.8	0	0	0	0	114.4	M660	S656-M660 PolarHBondContact O-N 3.47Å
657	S	42.2	Very low	45.8	Very low	78 Å²	78	96.9 Å²	96.9	55%	0.545	61%	0.611	S	S	.	*	H	α-helix	trans	-79.6	-24	-177.7	47	0	0	0	0	114.1
658	S	45.9	Very low	45	Very low	71 Å²	71	97.3 Å²	97.3	50%	0.497	62%	0.616	S	S	.	*	H	α-helix	trans	-83	-23.2	176.9	42.2	0	0	0	0	113.7
659	L	43.2	Very low	44.8	Very low	129 Å²	129	98.4 Å²	98.4	68%	0.675	61%	0.607	S	S	*	*	H	α-helix	trans	-85.1	-29.3	175.6	-88.9	149.2	0	0	0	113.1	A663	L659-A663 PolarHBondContact O-N 3.44Å
660	M	43	Very low	44.9	Very low	129 Å²	129	103.9 Å²	103.9	64%	0.635	62%	0.617	S	S	*	*	H	α-helix	trans	-72.7	-28.5	175.3	-86.2	-83	160.9	0	0	113.4	S656	S656-M660 PolarHBondContact O-N 3.47Å
661	L	44.9	Very low	45.4	Very low	131 Å²	131	108.2 Å²	108.2	69%	0.686	63%	0.634	S	S	*	*	H	α-helix	trans	-76.2	-26.8	176.3	-111.5	108.6	0	0	0	113.5
662	I	50.2	Low	45.6	Very low	106 Å²	106	114.4 Å²	114.4	54%	0.544	66%	0.656	S	S	.	*	H	α-helix	trans	-79.5	-34.5	177.8	-63.7	172.9	0	0	0	110.6	L664 V665 F666	I662-L664 VanDerWaalsContact C-N 3.34Å; I662-L664 PolarHBondContact O-N 3.46Å; I662-V665 PolarHBondContact O-N 3.45Å; I662-F666 HydrophobicContact CG2-CD2 4.26Å; I662-F666 HydrophobicContact CG2-CE2 4.15Å; I662-F666 WeakPolarHBondContact O-CD2 3.41Å
663	A	48.3	Very low	46	Very low	62 Å²	62	115.8 Å²	115.8	51%	0.512	65%	0.652	S	S	.	*	H	α-helix	trans	-68.1	-30	177	0	0	0	0	0	113.6	L659 A667	L659-A663 PolarHBondContact O-N 3.44Å; A663-A667 PolarHBondContact O-N 3.43Å
664	L	47.8	Very low	46.3	Very low	112 Å²	112	117.7 Å²	117.7	59%	0.586	66%	0.658	S	S	*	*	H	α-helix	trans	-75.4	-28.7	178.9	-120	117	0	0	0	113.4	I662 L668	I662-L664 VanDerWaalsContact C-N 3.34Å; I662-L664 PolarHBondContact O-N 3.46Å; L664-L668 HydrophobicContact CD2-CD1 4.36Å; L664-L668 PolarHBondContact O-N 3.39Å
665	V	53.1	Low	46.7	Very low	87 Å²	87	118.1 Å²	118.1	53%	0.527	66%	0.657	S	S	.	*	H	α-helix	trans	-73.9	-31.4	177.8	176.5	0	0	0	0	111.6	I662 L669	I662-V665 PolarHBondContact O-N 3.45Å; V665-L669 HydrophobicContact CG1-CD1 4.43Å
666	F	50.7	Low	47.2	Very low	149 Å²	149	119 Å²	119	65%	0.654	66%	0.655	S	S	*	*	H	α-helix	trans	-78.5	-25.6	176.1	-80.5	-77.7	0	0	0	113.9	I662	I662-F666 HydrophobicContact CG2-CD2 4.26Å; I662-F666 HydrophobicContact CG2-CE2 4.15Å; I662-F666 WeakPolarHBondContact O-CD2 3.41Å
667	A	49.1	Very low	47.6	Very low	69 Å²	69	121.7 Å²	121.7	57%	0.57	66%	0.662	S	S	*	*	H	α-helix	trans	-78	-23.5	176.6	0	0	0	0	0	113.7	A663	A663-A667 PolarHBondContact O-N 3.43Å
668	L	48.3	Very low	47.9	Very low	134 Å²	134	124.6 Å²	124.6	70%	0.702	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-7.9	178.6	-87.3	153.7	0	0	0	114.2	L664	L664-L668 HydrophobicContact CD2-CD1 4.36Å; L664-L668 PolarHBondContact O-N 3.39Å
669	L	49.3	Very low	48.1	Very low	129 Å²	129	128.4 Å²	128.4	68%	0.675	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	10.2	177.7	-82.1	162.6	0	0	0	113.9	V665	V665-L669 HydrophobicContact CG1-CD1 4.43Å
670	H	49.3	Very low	48.4	Very low	173 Å²	173	128.4 Å²	128.4	80%	0.801	68%	0.683	S	S	*	*	S	Bend	trans	-118.6	16.2	176.9	-90.6	50.9	0	0	0	114.2
671	I	52.6	Low	48.9	Very low	147 Å²	147	128.3 Å²	128.3	75%	0.754	69%	0.687	S	S	*	*			trans	-134.9	70.2	169.8	-49.6	177.3	0	0	0	109.1
672	I	43.1	Very low	49.3	Very low	241 Å²	241	128.1 Å²	128.1	100%	1.236	69%	0.687	S	S	*	*			trans	-148.4	0	146.8	-60.4	-169.9	0	0	0	107.4

Retrieved 672 of 672 residues in 1945.4 ms (Link to these results)

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