A0A077Z5I9_TRITR Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession A0A077Z5I9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	31.7	Very low	239 Å²	239	164 Å²	164	100%	1.177	84%	0.844	S	S	*	*				0	125.8	0	-82	169	166.5	0	0	107.4
2	S	35	Very low	31.5	Very low	106 Å²	106	166.8 Å²	166.8	74%	0.741	85%	0.846	S	S	*	*			trans	53.9	136.2	162.8	61.2	0	0	0	0	119.3
3	H	34.9	Very low	31	Very low	182 Å²	182	159.8 Å²	159.8	84%	0.843	82%	0.822	S	S	*	*			cis	-169	131.9	-11.3	-111.6	-58.9	0	0	0	104
4	R	26	Very low	30.7	Very low	239 Å²	239	162 Å²	162	90%	0.902	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-77.3	141.9	166.2	-81.5	-175	178.9	-168.4	-2.2	109.6
5	P	35.5	Very low	30.8	Very low	121 Å²	121	161.1 Å²	161.1	79%	0.786	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-95.7	134.7	155.2	21.3	-5	0	0	0	111
6	T	31	Very low	30.9	Very low	134 Å²	134	157.3 Å²	157.3	82%	0.822	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-81.3	127.5	170.9	-46.8	0	0	0	0	108.6
7	I	34.9	Very low	30.8	Very low	154 Å²	154	153.5 Å²	153.5	79%	0.79	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-88.4	128.3	173.1	-65.4	178.1	0	0	0	109.5
8	Q	31.8	Very low	30.7	Very low	174 Å²	174	157.1 Å²	157.1	81%	0.813	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.7	146.9	-178.2	-70.5	170.5	-43.9	0	0	111.7
9	N	28.8	Very low	30.6	Very low	167 Å²	167	158.7 Å²	158.7	89%	0.893	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-49.9	132.4	173.3	-70.1	-33.8	0	0	0	112.7
10	L	29.6	Very low	30.6	Very low	157 Å²	157	157.5 Å²	157.5	82%	0.822	82%	0.818	S	S	*	*			trans	-83.1	114.7	166.1	-81.9	156.7	0	0	0	109.4
11	D	25.6	Very low	30.4	Very low	131 Å²	131	159.2 Å²	159.2	70%	0.701	82%	0.823	S	S	*	*			trans	-78.6	114.9	174.8	-175.8	-2.2	0	0	0	110	S13	D11-S13 VanDerWaalsContact OD1-CB 3.31Å; D11-S13 WeakPolarHBondContact OD1-CB 3.46Å; D11-S13 PolarHBondContact OD1-N 3.08Å; D11-S13 VanDerWaalsContact OD1-N 3.13Å; D11-S13 PolarHBondContact OD1-OG 3.4Å; D11-S13 PolarHBondContact OD2-OG 2.89Å
12	F	29.7	Very low	30.2	Very low	198 Å²	198	156.3 Å²	156.3	87%	0.868	81%	0.806	S	S	*	*			trans	-102.9	64	170.7	-84.9	-84.9	0	0	0	109.8
13	S	25.4	Very low	29.9	Very low	75 Å²	75	161.7 Å²	161.7	52%	0.524	81%	0.81	S	S	.	*			trans	-118.6	84.9	168.6	62.4	0	0	0	0	110.5	D11	D11-S13 VanDerWaalsContact OD1-CB 3.31Å; D11-S13 WeakPolarHBondContact OD1-CB 3.46Å; D11-S13 PolarHBondContact OD1-N 3.08Å; D11-S13 VanDerWaalsContact OD1-N 3.13Å; D11-S13 PolarHBondContact OD1-OG 3.4Å; D11-S13 PolarHBondContact OD2-OG 2.89Å
14	Q	26.2	Very low	29.9	Very low	191 Å²	191	162.5 Å²	162.5	89%	0.893	81%	0.814	S	S	*	*			trans	178.5	88.5	155.9	-104.2	170.7	59.4	0	0	111.5
15	V	32.9	Very low	30.3	Very low	149 Å²	149	157.4 Å²	157.4	90%	0.903	81%	0.805	S	S	*	*			trans	-155.9	114.9	142	-179.4	0	0	0	0	110.1
16	S	31.8	Very low	29.9	Very low	99 Å²	99	159 Å²	159	69%	0.692	80%	0.802	S	S	*	*			trans	72.3	83.5	147	-172.3	0	0	0	0	122.4
17	S	29.5	Very low	29.9	Very low	94 Å²	94	164.8 Å²	164.8	66%	0.657	81%	0.809	S	S	*	*				41.7	129.7	111.6	96.8	0	0	0	0	123.2
18	R	28.7	Very low	29.5	Very low	217 Å²	217	166 Å²	166	82%	0.819	81%	0.812	S	S	*	*			trans	103.1	107.7	138.1	-72.9	178.5	179.2	-162.6	0.6	120.2
19	K	29.3	Very low	29.7	Very low	188 Å²	188	164.5 Å²	164.5	82%	0.817	81%	0.814	S	S	*	*			trans	84.9	104	137.7	-65.7	178.9	176.7	-174.2	0	118.7
20	C	30.3	Very low	30	Very low	134 Å²	134	162.8 Å²	162.8	91%	0.905	81%	0.81	S	S	*	*				-174.7	111.7	108.6	-119.4	0	0	0	0	110.2
21	Q	26.2	Very low	30.1	Very low	195 Å²	195	158.8 Å²	158.8	91%	0.911	81%	0.806	S	S	*	*			trans	-141	105.5	171	-141.7	149.5	11.7	0	0	106.7
22	Q	32	Very low	30.4	Very low	177 Å²	177	160 Å²	160	83%	0.827	81%	0.813	S	S	*	*			trans	-158.2	132.2	166.6	-119	179.6	13.1	0	0	110.7
23	R	28.2	Very low	30.6	Very low	220 Å²	220	155.5 Å²	155.5	83%	0.83	81%	0.806	S	S	*	*			trans	86.9	104	163.3	-56.8	-177.9	-173.8	-135.6	0.7	116.9
24	Q	34.3	Very low	31.1	Very low	198 Å²	198	161 Å²	161	93%	0.925	82%	0.823	S	S	*	*				-159	134.7	101.3	-100.7	171.1	1	0	0	111
25	N	33.7	Very low	31.5	Very low	132 Å²	132	156.5 Å²	156.5	71%	0.706	81%	0.811	S	S	*	*			trans	-81.9	149.5	-173.7	-80.3	10.9	0	0	0	112.6
26	E	27.1	Very low	31.5	Very low	156 Å²	156	157.9 Å²	157.9	73%	0.729	81%	0.807	S	S	*	*			trans	45.3	117.4	131.2	-60.1	164.3	150.9	0	0	118.7
27	W	31.8	Very low	31.5	Very low	254 Å²	254	157.8 Å²	157.8	96%	0.962	81%	0.806	S	S	*	*				-155.8	103.8	117.3	-76.3	104.6	0	0	0	109
28	E	26.5	Very low	31.5	Very low	181 Å²	181	160.4 Å²	160.4	85%	0.846	81%	0.813	S	S	*	*			trans	-79.4	131	160.9	-79.2	-178.8	148.9	0	0	109
29	V	36.8	Very low	31.4	Very low	142 Å²	142	160.4 Å²	160.4	86%	0.861	81%	0.814	S	S	*	*			trans	-138	122.4	147.1	-177.8	0	0	0	0	108.6
30	T	33.9	Very low	31.4	Very low	131 Å²	131	156.8 Å²	156.8	80%	0.804	81%	0.813	S	S	*	*			trans	-74.4	156.5	179.6	46	0	0	0	0	112.4
31	G	33.2	Very low	31.2	Very low	73 Å²	73	161.8 Å²	161.8	75%	0.753	81%	0.813	S	S	*	*			trans	145.9	79.9	155.4	0	0	0	0	0	117.9
32	N	31.6	Very low	31.2	Very low	157 Å²	157	157.4 Å²	157.4	84%	0.84	80%	0.801	S	S	*	*			trans	44.8	118.6	133.5	-80.8	3	0	0	0	123.1
33	S	33.9	Very low	31.1	Very low	102 Å²	102	153.6 Å²	153.6	71%	0.713	80%	0.8	S	S	*	*				75.4	115	122.5	66.2	0	0	0	0	121.8
34	E	34.7	Very low	31.1	Very low	190 Å²	190	149.2 Å²	149.2	89%	0.888	80%	0.797	S	S	*	*			trans	104.4	135.1	138.4	-76.5	-173.2	-178.7	0	0	120.8
35	P	34.4	Very low	30.7	Very low	98 Å²	98	148.8 Å²	148.8	64%	0.636	80%	0.795	S	S	*	*			trans	-98.7	155.4	-164.5	39	-30.1	0	0	0	111.6
36	H	33.9	Very low	30.5	Very low	177 Å²	177	146.8 Å²	146.8	82%	0.819	79%	0.79	S	S	*	*			trans	168.7	127.5	131.7	-88.6	-64.7	0	0	0	112.4
37	S	31.3	Very low	30.6	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	77%	0.774	S	S	*	*			trans	74.6	127.7	146	70.4	0	0	0	0	121.2
38	N	29.7	Very low	30.7	Very low	150 Å²	150	134.4 Å²	134.4	80%	0.802	76%	0.763	S	S	*	*			trans	66.2	81.7	150.7	-65	-9.6	0	0	0	118.9
39	Y	27.8	Very low	30.8	Very low	217 Å²	217	133.4 Å²	133.4	85%	0.851	76%	0.759	S	S	*	*			trans	-138.3	116.2	149.1	-92.8	-86.4	0	0	0	111.4
40	S	27.8	Very low	30.6	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-65.5	121.7	161	48.4	0	0	0	0	109.2
41	W	25.7	Very low	30.5	Very low	240 Å²	240	129.1 Å²	129.1	91%	0.909	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-70.6	127	173.1	-71.1	99.3	0	0	0	110.1
42	P	26.8	Very low	30.4	Very low	103 Å²	103	131.7 Å²	131.7	67%	0.669	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-67.3	140.4	167.1	16.6	-8.8	0	0	0	108.8	V44	P42-V44 PolarHBondContact O-N 3.36Å; P42-V44 VanDerWaalsContact O-N 3.13Å
43	A	29.8	Very low	30.4	Very low	97 Å²	97	129 Å²	129	80%	0.802	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-51.8	118.8	174.6	0	0	0	0	0	110.1	Q45	A43-Q45 PolarHBondContact O-N 2.85Å
44	V	28	Very low	30.5	Very low	127 Å²	127	131.2 Å²	131.2	77%	0.77	69%	0.693	S	S	*	*			trans	-65.9	106	173.7	177.3	0	0	0	0	107.6	P42 C46	P42-V44 PolarHBondContact O-N 3.36Å; P42-V44 VanDerWaalsContact O-N 3.13Å; V44-C46 PolarHBondContact O-N 3.35Å; V44-C46 VanDerWaalsContact O-N 3.1Å
45	Q	26.7	Very low	30.8	Very low	189 Å²	189	125.6 Å²	125.6	88%	0.883	68%	0.675	S	S	*	*			trans	-65.4	106.4	165.5	-75.1	-179.9	-19.5	0	0	107.7	A43 G47	A43-Q45 PolarHBondContact O-N 2.85Å; Q45-G47 PolarHBondContact O-N 3.31Å
46	C	28.7	Very low	31.6	Very low	90 Å²	90	127 Å²	127	61%	0.608	67%	0.673	S	S	*	*			trans	-66.4	117.3	175.1	-82.1	0	0	0	0	109.9	V44 L50	V44-C46 PolarHBondContact O-N 3.35Å; V44-C46 VanDerWaalsContact O-N 3.1Å; C46-L50 HydrophobicContact CB-CD1 3.52Å; C46-L50 WeakPolarHBondContact SG-CD1 3.46Å
47	G	30.2	Very low	33	Very low	38 Å²	38	120.2 Å²	120.2	39%	0.392	65%	0.645	S	S	.	*			trans	-82.4	-179.3	-178.6	0	0	0	0	0	114.8	Q45 Q49 L50	Q45-G47 PolarHBondContact O-N 3.31Å; G47-Q49 PolarHBondContact O-N 3.39Å; G47-L50 PolarHBondContact O-N 3.03Å
48	P	32.6	Very low	34.9	Very low	112 Å²	112	118 Å²	118	73%	0.727	63%	0.629	S	S	*	*	H	α-helix	trans	-57.2	-9.5	-170.1	-0.1	-4.5	0	0	0	116.3	F52	P48-F52 PolarHBondContact O-N 3.26Å; P48-F52 VanDerWaalsContact O-N 3.09Å
49	Q	29.7	Very low	37.4	Very low	161 Å²	161	111.3 Å²	111.3	75%	0.752	60%	0.596	S	S	*	*	H	α-helix	trans	-75.6	-30.3	-178.2	-150.4	161.2	-1.1	0	0	112.5	G47 I53	G47-Q49 PolarHBondContact O-N 3.39Å; Q49-I53 WeakPolarHBondContact O-CG1 3.43Å; Q49-I53 PolarHBondContact O-N 2.7Å; Q49-I53 VanDerWaalsContact O-N 3.14Å
50	L	31.6	Very low	40.2	Very low	77 Å²	77	105.3 Å²	105.3	40%	0.403	58%	0.578	S	S	.	*	H	α-helix	trans	-72.2	-37.4	172.2	-97.7	152.4	0	0	0	111.9	C46 G47 F52 I53 R54	C46-L50 HydrophobicContact CB-CD1 3.52Å; C46-L50 WeakPolarHBondContact SG-CD1 3.46Å; G47-L50 PolarHBondContact O-N 3.03Å; L50-F52 VanDerWaalsContact C-N 3.33Å; L50-I53 PolarHBondContact O-N 3.37Å; L50-R54 WeakPolarHBondContact O-CB 3.32Å; L50-R54 WeakPolarHBondContact O-CG 3.26Å; L50-R54 PolarHBondContact O-N 3.2Å
51	D	32.3	Very low	43.2	Very low	105 Å²	105	100 Å²	100	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-66.9	-36.4	174.3	-66.1	-30.3	0	0	0	111.5	R54 S55	D51-R54 PolarHBondContact O-N 3.15Å; D51-S55 PolarHBondContact O-N 2.83Å
52	F	30.8	Very low	46.2	Very low	128 Å²	128	90.7 Å²	90.7	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-64.8	-44.4	174.3	-173	-95.7	0	0	0	112.5	P48 L50 S55 H56	P48-F52 PolarHBondContact O-N 3.26Å; P48-F52 VanDerWaalsContact O-N 3.09Å; L50-F52 VanDerWaalsContact C-N 3.33Å; F52-S55 PolarHBondContact O-N 2.96Å; F52-S55 PolarHBondContact O-OG 3.16Å; F52-H56 AromaticContact CD2-CE1 3.98Å; F52-H56 AromaticContact CE1-CE1 3.94Å; F52-H56 AromaticContact CE1-ND1 3.9Å; F52-H56 AromaticContact CE2-CE1 3.4Å; F52-H56 VanDerWaalsContact CE2-CE1 3.4Å; F52-H56 WeakPolarHBondContact CE2-CE1 3.34Å; F52-H56 AromaticContact CE2-ND1 3.98Å; F52-H56 AromaticContact CZ-CE1 3.37Å; F52-H56 WeakPolarHBondContact CZ-CE1 3.36Å; F52-H56 AromaticContact CZ-ND1 3.82Å; F52-H56 PolarHBondContact O-N 3.3Å; F52-H56 PolarHBondContact O-ND1 3.21Å
53	I	32.3	Very low	49.1	Very low	99 Å²	99	86.6 Å²	86.6	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-66.1	-40.4	177	-67.7	167.5	0	0	0	110.6	Q49 L50 S55 H56 S57	Q49-I53 WeakPolarHBondContact O-CG1 3.43Å; Q49-I53 PolarHBondContact O-N 2.7Å; Q49-I53 VanDerWaalsContact O-N 3.14Å; L50-I53 PolarHBondContact O-N 3.37Å; I53-S55 PolarHBondContact O-N 3.25Å; I53-H56 PolarHBondContact O-N 3.46Å; I53-S57 WeakPolarHBondContact O-CB 3.29Å; I53-S57 PolarHBondContact O-N 3.16Å; I53-S57 VanDerWaalsContact O-N 3.13Å; I53-S57 PolarHBondContact O-OG 3.16Å
54	R	35.8	Very low	51.8	Low	149 Å²	149	83.5 Å²	83.5	56%	0.562	45%	0.452	S	S	*	.	H	α-helix	trans	-58.2	-47.6	173.4	-79.3	178.4	172.4	-168.7	-4.7	111.2	L50 D51 H56 S57 S58 T72	L50-R54 WeakPolarHBondContact O-CB 3.32Å; L50-R54 WeakPolarHBondContact O-CG 3.26Å; L50-R54 PolarHBondContact O-N 3.2Å; D51-R54 PolarHBondContact O-N 3.15Å; R54-H56 PolarHBondContact O-N 2.94Å; R54-S57 PolarHBondContact O-N 2.65Å; R54-S58 WeakPolarHBondContact O-CB 3.22Å; R54-S58 PolarHBondContact O-N 3.28Å; R54-S58 PolarHBondContact O-OG 2.54Å; R54-T72 HydrophobicContact CG-CG2 4.46Å
55	S	41.2	Very low	54.3	Low	72 Å²	72	81.7 Å²	81.7	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-25.6	-178.4	70.5	0	0	0	0	115	D51 F52 I53	D51-S55 PolarHBondContact O-N 2.83Å; F52-S55 PolarHBondContact O-N 2.96Å; F52-S55 PolarHBondContact O-OG 3.16Å; I53-S55 PolarHBondContact O-N 3.25Å
56	H	50.8	Low	57.1	Low	129 Å²	129	80.5 Å²	80.5	60%	0.597	44%	0.437	S	S	*	.	H	α-helix	trans	-98.4	-10.7	-179.9	-70.2	79.9	0	0	0	113.9	F52 I53 R54	F52-H56 AromaticContact CD2-CE1 3.98Å; F52-H56 AromaticContact CE1-CE1 3.94Å; F52-H56 AromaticContact CE1-ND1 3.9Å; F52-H56 AromaticContact CE2-CE1 3.4Å; F52-H56 VanDerWaalsContact CE2-CE1 3.4Å; F52-H56 WeakPolarHBondContact CE2-CE1 3.34Å; F52-H56 AromaticContact CE2-ND1 3.98Å; F52-H56 AromaticContact CZ-CE1 3.37Å; F52-H56 WeakPolarHBondContact CZ-CE1 3.36Å; F52-H56 AromaticContact CZ-ND1 3.82Å; F52-H56 PolarHBondContact O-N 3.3Å; F52-H56 PolarHBondContact O-ND1 3.21Å; I53-H56 PolarHBondContact O-N 3.46Å; R54-H56 PolarHBondContact O-N 2.94Å
57	S	62.3	Low	60	Low	34 Å²	34	79.8 Å²	79.8	24%	0.238	43%	0.425	C	S	.	.	H	α-helix	trans	-122.6	-3.6	-175	-38.3	0	0	0	0	113	I53 R54	I53-S57 WeakPolarHBondContact O-CB 3.29Å; I53-S57 PolarHBondContact O-N 3.16Å; I53-S57 VanDerWaalsContact O-N 3.13Å; I53-S57 PolarHBondContact O-OG 3.16Å; R54-S57 PolarHBondContact O-N 2.65Å
58	S	71.9	Confident	62.9	Low	49 Å²	49	81.3 Å²	81.3	34%	0.343	43%	0.429	S	S	.	.			trans	-80.8	138.6	179	60.2	0	0	0	0	111.6	R54 F71	R54-S58 WeakPolarHBondContact O-CB 3.22Å; R54-S58 PolarHBondContact O-N 3.28Å; R54-S58 PolarHBondContact O-OG 2.54Å; S58-F71 WeakPolarHBondContact CA-O 3.4Å
59	G	83	Confident	65.8	Low	10 Å²	10	78.1 Å²	78.1	10%	0.103	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	179	169.5	0	0	0	0	0	110.8	E70 F71 I142	G59-E70 WeakPolarHBondContact O-CA 3.27Å; G59-F71 PolarHBondContact N-O 3.11Å; G59-F71 VanDerWaalsContact O-CD1 3.29Å; G59-F71 WeakPolarHBondContact O-CD1 3.15Å; G59-F71 PolarHBondContact O-N 3.2Å; G59-I142 VanDerWaalsContact N-CG2 3.31Å
60	I	87	Confident	68.7	Low	92 Å²	92	78.1 Å²	78.1	47%	0.472	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.7	170.3	-57.4	-60.9	0	0	0	108.6	F69 E70 F71 G140	I60-F69 WeakPolarHBondContact CA-O 3.06Å; I60-E70 HydrophobicContact CD1-CG 3.73Å; I60-F71 VanDerWaalsContact C-CE1 3.49Å; I60-G140 WeakPolarHBondContact O-CA 3.4Å
61	L	89.9	Confident	71.6	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	101.9	172.4	-170.4	77.9	0	0	0	108.9	I63 S68 F69 F71 H95 M102 Y139 C151	L61-I63 HydrophobicContact CD1-CD1 4.35Å; L61-I63 HydrophobicContact CD2-CD1 3.81Å; L61-I63 HydrophobicContact CD2-CG1 4.32Å; L61-I63 HydrophobicContact CG-CD1 3.75Å; L61-I63 HydrophobicContact CG-CG1 4.39Å; L61-S68 CarbonylContact O-C 3.59Å; L61-S68 WeakPolarHBondContact O-CA 3.44Å; L61-F69 HydrophobicContact CB-CB 4.46Å; L61-F69 PolarHBondContact N-O 2.77Å; L61-F69 PolarHBondContact O-N 2.72Å; L61-F71 HydrophobicContact CB-CB 4.34Å; L61-F71 HydrophobicContact CB-CD1 3.41Å; L61-F71 VanDerWaalsContact CB-CD1 3.41Å; L61-F71 HydrophobicContact CB-CE1 3.68Å; L61-F71 HydrophobicContact CB-CG 3.85Å; L61-F71 HydrophobicContact CB-CZ 4.34Å; L61-F71 HydrophobicContact CD1-CE1 4.24Å; L61-F71 HydrophobicContact CD1-CE2 4.34Å; L61-F71 HydrophobicContact CD1-CZ 4.08Å; L61-H95 HydrophobicContact CD2-CB 3.83Å; L61-H95 VanDerWaalsContact CD2-CG 3.46Å; L61-H95 WeakPolarHBondContact CD2-ND1 3.28Å; L61-M102 HydrophobicContact CD1-CE 4.3Å; L61-M102 HydrophobicContact CD1-SD 4.16Å; L61-M102 HydrophobicContact CD2-CE 4.07Å; L61-Y139 CarbonylContact C-O 3.44Å; L61-Y139 VanDerWaalsContact CA-O 3.26Å; L61-Y139 WeakPolarHBondContact CA-O 3.35Å; L61-C151 HydrophobicContact CD1-CB 3.79Å
62	K	89.5	Confident	74.5	Confident	43 Å²	43	70.3 Å²	70.3	19%	0.187	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	106.9	176.2	-173.1	-179	176.7	-155.3	0	109.7	S64 M127 D130 Y139	K62-S64 WeakPolarHBondContact CG-O 3.2Å; K62-M127 HydrophobicContact CB-CE 3.78Å; K62-D130 IonicContact NZ-OD2 3.92Å; K62-Y139 PolarHBondContact N-O 3.28Å; K62-Y139 WeakPolarHBondContact O-CA 3.29Å; K62-Y139 WeakPolarHBondContact O-CD1 3.36Å
63	I	87.7	Confident	77.5	Confident	18 Å²	18	64.6 Å²	64.6	9%	0.092	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-32.7	179.8	-60	-51.5	0	0	0	111.7	L61 Q67 F69 K100 M102 Y139	L61-I63 HydrophobicContact CD1-CD1 4.35Å; L61-I63 HydrophobicContact CD2-CD1 3.81Å; L61-I63 HydrophobicContact CD2-CG1 4.32Å; L61-I63 HydrophobicContact CG-CD1 3.75Å; L61-I63 HydrophobicContact CG-CG1 4.39Å; I63-Q67 PolarHBondContact N-O 2.69Å; I63-F69 HydrophobicContact CG1-CD2 4.37Å; I63-F69 HydrophobicContact CG1-CE2 4.22Å; I63-K100 HydrophobicContact CD1-CB 4.02Å; I63-K100 HydrophobicContact CD1-CG 3.79Å; I63-K100 HydrophobicContact CG1-CB 4.43Å; I63-K100 HydrophobicContact CG2-CD 3.99Å; I63-K100 HydrophobicContact CG2-CG 4.33Å; I63-M102 HydrophobicContact CD1-CE 4.44Å; I63-Y139 HydrophobicContact CD1-CD1 4.13Å; I63-Y139 HydrophobicContact CD1-CD2 4.39Å; I63-Y139 HydrophobicContact CD1-CG 3.99Å
64	S	84.7	Confident	80.4	Confident	32 Å²	32	65 Å²	65	22%	0.224	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	169.3	176.7	60.3	0	0	0	0	109.2	K62 E66 Q67	K62-S64 WeakPolarHBondContact CG-O 3.2Å; S64-E66 PolarHBondContact O-N 3.44Å; S64-E66 VanDerWaalsContact O-N 3.15Å; S64-Q67 PolarHBondContact N-O 3.26Å; S64-Q67 PolarHBondContact O-N 3.11Å; S64-Q67 VanDerWaalsContact O-N 3.13Å; S64-Q67 WeakPolarHBondContact OG-CB 3.33Å; S64-Q67 PolarHBondContact OG-N 3.18Å
65	P	81.5	Confident	83.2	Confident	88 Å²	88	60 Å²	60	57%	0.571	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.2	175.8	-25.8	35.4	0	0	0	113.7
66	E	85.8	Confident	85.8	Confident	165 Å²	165	57.2 Å²	57.2	77%	0.771	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-10.9	-178.3	-57.1	73.3	-156.2	0	0	113.7	S64	S64-E66 PolarHBondContact O-N 3.44Å; S64-E66 VanDerWaalsContact O-N 3.15Å
67	Q	89.4	Confident	88.1	Confident	75 Å²	75	53.7 Å²	53.7	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	104	-170.1	-158.5	-170.9	29.7	0	0	112.1	I63 S64 F69	I63-Q67 PolarHBondContact N-O 2.69Å; S64-Q67 PolarHBondContact N-O 3.26Å; S64-Q67 PolarHBondContact O-N 3.11Å; S64-Q67 VanDerWaalsContact O-N 3.13Å; S64-Q67 WeakPolarHBondContact OG-CB 3.33Å; S64-Q67 PolarHBondContact OG-N 3.18Å; Q67-F69 VanDerWaalsContact CD-CE2 3.5Å; Q67-F69 HydrophobicContact CG-CD2 4.41Å; Q67-F69 HydrophobicContact CG-CE2 3.39Å; Q67-F69 HydrophobicContact CG-CZ 3.55Å; Q67-F69 VanDerWaalsContact NE2-CZ 3.31Å
68	S	91.3	Very high	89.7	Confident	70 Å²	70	56 Å²	56	49%	0.49	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.8	176	-63.6	0	0	0	0	110.8	L61	L61-S68 CarbonylContact O-C 3.59Å; L61-S68 WeakPolarHBondContact O-CA 3.44Å
69	F	92.4	Very high	90.9	Very high	45 Å²	45	57 Å²	57	20%	0.197	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137	178.4	-56.9	-87.9	0	0	0	110.2	I60 L61 I63 Q67 H95 V97 S98	I60-F69 WeakPolarHBondContact CA-O 3.06Å; L61-F69 HydrophobicContact CB-CB 4.46Å; L61-F69 PolarHBondContact N-O 2.77Å; L61-F69 PolarHBondContact O-N 2.72Å; I63-F69 HydrophobicContact CG1-CD2 4.37Å; I63-F69 HydrophobicContact CG1-CE2 4.22Å; Q67-F69 VanDerWaalsContact CD-CE2 3.5Å; Q67-F69 HydrophobicContact CG-CD2 4.41Å; Q67-F69 HydrophobicContact CG-CE2 3.39Å; Q67-F69 HydrophobicContact CG-CZ 3.55Å; Q67-F69 VanDerWaalsContact NE2-CZ 3.31Å; F69-H95 AromaticContact CD2-CE1 3.97Å; F69-H95 AromaticContact CG-CE1 3.75Å; F69-V97 HydrophobicContact CD1-CG1 4.01Å; F69-V97 HydrophobicContact CE1-CG1 3.83Å; F69-S98 VanDerWaalsContact CE2-CB 3.4Å
70	E	91.8	Very high	91.5	Very high	160 Å²	160	58 Å²	58	75%	0.748	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.4	156.5	-70.9	-179.3	-176.1	0	0	108	G59 I60	G59-E70 WeakPolarHBondContact O-CA 3.27Å; I60-E70 HydrophobicContact CD1-CG 3.73Å
71	F	93	Very high	91.9	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	153.3	-178.1	82	-67.4	0	0	0	111.8	S58 G59 I60 L61 D75 L76 I142	S58-F71 WeakPolarHBondContact CA-O 3.4Å; G59-F71 PolarHBondContact N-O 3.11Å; G59-F71 VanDerWaalsContact O-CD1 3.29Å; G59-F71 WeakPolarHBondContact O-CD1 3.15Å; G59-F71 PolarHBondContact O-N 3.2Å; I60-F71 VanDerWaalsContact C-CE1 3.49Å; L61-F71 HydrophobicContact CB-CB 4.34Å; L61-F71 HydrophobicContact CB-CD1 3.41Å; L61-F71 VanDerWaalsContact CB-CD1 3.41Å; L61-F71 HydrophobicContact CB-CE1 3.68Å; L61-F71 HydrophobicContact CB-CG 3.85Å; L61-F71 HydrophobicContact CB-CZ 4.34Å; L61-F71 HydrophobicContact CD1-CE1 4.24Å; L61-F71 HydrophobicContact CD1-CE2 4.34Å; L61-F71 HydrophobicContact CD1-CZ 4.08Å; F71-D75 HydrophobicContact CB-CB 4.44Å; F71-L76 HydrophobicContact CD2-CD1 4.39Å; F71-L76 HydrophobicContact CD2-CD2 4.35Å; F71-L76 HydrophobicContact CD2-CG 4.38Å; F71-L76 HydrophobicContact CE2-CD1 4.16Å; F71-I142 HydrophobicContact CD1-CG2 4.32Å; F71-I142 HydrophobicContact CD2-CD1 4.4Å; F71-I142 HydrophobicContact CD2-CG2 4.35Å; F71-I142 HydrophobicContact CE1-CG2 3.8Å; F71-I142 HydrophobicContact CE2-CD1 3.95Å; F71-I142 HydrophobicContact CE2-CG1 4.22Å; F71-I142 HydrophobicContact CE2-CG2 3.81Å; F71-I142 HydrophobicContact CZ-CG1 4.45Å; F71-I142 HydrophobicContact CZ-CG2 3.54Å
72	T	92.9	Very high	91.9	Very high	18 Å²	18	62 Å²	62	11%	0.11	33%	0.33	C	S	.	.			trans	-121.4	173.8	169	66.4	0	0	0	0	109.1	R54 D74 D75	R54-T72 HydrophobicContact CG-CG2 4.46Å; T72-D74 PolarHBondContact O-N 3.38Å; T72-D74 PolarHBondContact OG1-N 2.88Å; T72-D75 PolarHBondContact N-OD2 3.1Å; T72-D75 WeakPolarHBondContact O-CB 3.47Å; T72-D75 PolarHBondContact O-N 3.05Å; T72-D75 VanDerWaalsContact O-N 3.16Å; T72-D75 PolarHBondContact OG1-OD2 3.23Å
73	A	92.8	Very high	91.5	Very high	7 Å²	7	61.4 Å²	61.4	6%	0.058	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-65.7	-21.6	175.4	0	0	0	0	0	113.2	D75 L76 I142 W149	A73-D75 PolarHBondContact O-N 3.4Å; A73-L76 PolarHBondContact O-N 3.17Å; A73-I142 HydrophobicContact CB-CD1 3.63Å; A73-W149 HydrophobicContact CB-CD2 4.45Å; A73-W149 HydrophobicContact CB-CE3 3.97Å; A73-W149 HydrophobicContact CB-CH2 3.88Å; A73-W149 HydrophobicContact CB-CZ2 4.35Å; A73-W149 HydrophobicContact CB-CZ3 3.66Å
74	D	93.2	Very high	91.2	Very high	109 Å²	109	68.3 Å²	68.3	58%	0.583	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-69.8	-22.6	175.8	-64.7	-26.4	0	0	0	112.1	T72 L76 R144	T72-D74 PolarHBondContact O-N 3.38Å; T72-D74 PolarHBondContact OG1-N 2.88Å; D74-L76 PolarHBondContact O-N 3.1Å; D74-R144 IonicContact OD1-CZ 3.27Å; D74-R144 IonicContact OD1-NH1 3.84Å; D74-R144 PolarHBondContact OD1-NH1 3.06Å; D74-R144 IonicContact OD1-NH2 3.73Å; D74-R144 PolarHBondContact OD1-NH2 2.89Å
75	D	95.5	Very high	90.4	Very high	43 Å²	43	68.9 Å²	68.9	23%	0.23	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-79.3	-3.7	175.8	-54.3	-62.2	0	0	0	112.5	F71 T72 A73 H95 R96	F71-D75 HydrophobicContact CB-CB 4.44Å; T72-D75 PolarHBondContact N-OD2 3.1Å; T72-D75 WeakPolarHBondContact O-CB 3.47Å; T72-D75 PolarHBondContact O-N 3.05Å; T72-D75 VanDerWaalsContact O-N 3.16Å; T72-D75 PolarHBondContact OG1-OD2 3.23Å; A73-D75 PolarHBondContact O-N 3.4Å; D75-H95 WeakPolarHBondContact O-CA 3.32Å; D75-H95 PolarHBondContact O-CD2 3.46Å; D75-R96 WeakPolarHBondContact O-CG 3.22Å; D75-R96 PolarHBondContact O-N 2.88Å
76	L	96.3	Very high	89.4	Confident	13 Å²	13	69.4 Å²	69.4	7%	0.068	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.6	178.6	-58.6	177.5	0	0	0	110.6	F71 A73 D74 M93 H95 M102 V104 W149	F71-L76 HydrophobicContact CD2-CD1 4.39Å; F71-L76 HydrophobicContact CD2-CD2 4.35Å; F71-L76 HydrophobicContact CD2-CG 4.38Å; F71-L76 HydrophobicContact CE2-CD1 4.16Å; A73-L76 PolarHBondContact O-N 3.17Å; D74-L76 PolarHBondContact O-N 3.1Å; L76-M93 HydrophobicContact CB-SD 3.95Å; L76-M93 HydrophobicContact CD1-SD 4.19Å; L76-H95 HydrophobicContact CD2-CB 4.01Å; L76-M102 HydrophobicContact CD2-SD 4.21Å; L76-V104 HydrophobicContact CD1-CG2 4.33Å; L76-W149 HydrophobicContact CD1-CE3 4.05Å; L76-W149 HydrophobicContact CD1-CZ3 4.28Å
77	E	97.5	Very high	88.5	Confident	56 Å²	56	63.3 Å²	63.3	26%	0.262	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.5	170.9	-179.8	173.3	-120.4	0	0	110	L79 M93 R94 R96	E77-L79 HydrophobicContact CG-CD2 3.99Å; E77-M93 CarbonylContact O-C 3.55Å; E77-M93 WeakPolarHBondContact O-CA 3.47Å; E77-M93 WeakPolarHBondContact O-CB 3.43Å; E77-R94 HydrophobicContact CB-CB 4.32Å; E77-R94 PolarHBondContact N-O 3.41Å; E77-R94 PolarHBondContact O-N 2.91Å; E77-R94 IonicContact OE2-CZ 3.46Å; E77-R94 IonicContact OE2-NH1 3.57Å; E77-R94 PolarHBondContact OE2-NH1 3.44Å; E77-R96 HydrophobicContact CB-CG 4.3Å; E77-R96 IonicContact OE1-NH1 3.89Å; E77-R96 PolarHBondContact OE1-NH1 2.69Å
78	D	96.8	Very high	87.9	Confident	83 Å²	83	61 Å²	61	44%	0.444	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	125.2	175.1	-165.3	-10.2	0	0	0	110.9	G80 N91 M93	D78-G80 PolarHBondContact OD1-N 3.48Å; D78-N91 PolarHBondContact OD1-ND2 2.92Å; D78-N91 PolarHBondContact OD2-ND2 3.43Å; D78-M93 HydrophobicContact CB-CE 4.29Å
79	L	97.5	Very high	87.8	Confident	68 Å²	68	58.9 Å²	58.9	36%	0.356	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	7.6	179.7	-55	-179.5	0	0	0	112.4	E77 K92 R94 V101	E77-L79 HydrophobicContact CG-CD2 3.99Å; L79-K92 WeakPolarHBondContact CA-O 3.31Å; L79-K92 HydrophobicContact CB-CB 4.28Å; L79-K92 HydrophobicContact CB-CD 4.31Å; L79-K92 HydrophobicContact CB-CG 4.07Å; L79-K92 VanDerWaalsContact CB-O 3.31Å; L79-K92 WeakPolarHBondContact CB-O 3.3Å; L79-K92 HydrophobicContact CD1-CD 4.41Å; L79-K92 HydrophobicContact CD1-CG 4.17Å; L79-K92 PolarHBondContact N-O 2.96Å; L79-R94 HydrophobicContact CD1-CB 3.99Å; L79-R94 HydrophobicContact CG-CB 4.44Å; L79-V101 HydrophobicContact CD1-CG1 4.43Å
80	G	95.8	Very high	87.7	Confident	33 Å²	33	58.2 Å²	58.2	34%	0.34	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.8	157.2	175.5	0	0	0	0	0	114	D78 N91 K92	D78-G80 PolarHBondContact OD1-N 3.48Å; G80-N91 WeakPolarHBondContact O-CA 3.36Å; G80-K92 PolarHBondContact O-N 3.36Å
81	E	93.4	Very high	87.9	Confident	114 Å²	114	51.2 Å²	51.2	53%	0.533	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	135.3	177.5	-167.1	177.1	116.4	0	0	111.2
82	I	90.7	Very high	88.1	Confident	62 Å²	62	54.9 Å²	54.9	32%	0.318	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-13.6	177.1	59.3	173	0	0	0	113.1	V90 K92 A103 L154	I82-V90 HydrophobicContact CD1-CG1 3.8Å; I82-V90 HydrophobicContact CG1-CB 4.09Å; I82-V90 HydrophobicContact CG1-CG1 3.76Å; I82-V90 VanDerWaalsContact CG1-O 3.29Å; I82-V90 WeakPolarHBondContact CG1-O 3.19Å; I82-V90 PolarHBondContact N-O 2.92Å; I82-K92 HydrophobicContact CG2-CB 3.72Å; I82-A103 HydrophobicContact CD1-CB 4.01Å; I82-L154 HydrophobicContact CD1-CD1 3.48Å; I82-L154 VanDerWaalsContact CD1-CD1 3.48Å
83	G	81.9	Confident	88.4	Confident	30 Å²	30	54.1 Å²	54.1	31%	0.309	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	158.7	173.5	0	0	0	0	0	112.6	V90	G83-V90 PolarHBondContact N-O 3.2Å; G83-V90 PolarHBondContact O-N 3.49Å
84	Q	80.5	Confident	88.6	Confident	162 Å²	162	58.2 Å²	58.2	76%	0.757	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.3	173.7	-166.1	176.1	15.6	0	0	108.1
85	G	67.8	Low	88.8	Confident	44 Å²	44	53.1 Å²	53.1	45%	0.454	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	175.7	176.3	0	0	0	0	0	111.6	F87 G88	G85-F87 PolarHBondContact O-N 3.43Å; G85-G88 PolarHBondContact N-O 3.16Å; G85-G88 PolarHBondContact O-N 3.21Å
86	S	61	Low	88.9	Confident	99 Å²	99	57.2 Å²	57.2	69%	0.692	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.7	177.6	-48.4	0	0	0	0	113.9
87	F	66.1	Low	88.8	Confident	38 Å²	38	61.3 Å²	61.3	17%	0.167	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-2	-172.2	-53	-71.6	0	0	0	114.1	G85 M107 I229 I232	G85-F87 PolarHBondContact O-N 3.43Å; F87-M107 HydrophobicContact CB-CG 4.25Å; F87-M107 HydrophobicContact CB-SD 4.29Å; F87-I229 HydrophobicContact CB-CG1 4.45Å; F87-I229 HydrophobicContact CD1-CB 4.44Å; F87-I229 HydrophobicContact CD1-CG1 4Å; F87-I229 HydrophobicContact CD1-CG2 4.23Å; F87-I229 HydrophobicContact CD2-CD1 3.66Å; F87-I229 HydrophobicContact CD2-CG1 3.56Å; F87-I229 HydrophobicContact CD2-CG2 4.37Å; F87-I229 HydrophobicContact CE1-CB 4.23Å; F87-I229 HydrophobicContact CE1-CG1 4.16Å; F87-I229 HydrophobicContact CE1-CG2 3.55Å; F87-I229 HydrophobicContact CE2-CB 4.32Å; F87-I229 HydrophobicContact CE2-CD1 3.7Å; F87-I229 HydrophobicContact CE2-CG1 3.72Å; F87-I229 HydrophobicContact CE2-CG2 3.69Å; F87-I229 HydrophobicContact CG-CD1 4.32Å; F87-I229 HydrophobicContact CG-CG1 3.71Å; F87-I229 HydrophobicContact CZ-CB 4.18Å; F87-I229 HydrophobicContact CZ-CD1 4.4Å; F87-I229 HydrophobicContact CZ-CG1 4.04Å; F87-I229 HydrophobicContact CZ-CG2 3.24Å; F87-I232 HydrophobicContact CD1-CG2 4.39Å
88	G	77.3	Confident	88.7	Confident	26 Å²	26	59.9 Å²	59.9	27%	0.268	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.4	-166.9	179	0	0	0	0	0	113.4	G85 R106	G85-G88 PolarHBondContact N-O 3.16Å; G85-G88 PolarHBondContact O-N 3.21Å; G88-R106 WeakPolarHBondContact CA-O 3.33Å
89	S	88.7	Confident	88.7	Confident	25 Å²	25	59.8 Å²	59.8	18%	0.175	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	155	-178.2	68.8	0	0	0	0	111.8	N91 R106	S89-N91 PolarHBondContact OG-OD1 2.95Å; S89-R106 PolarHBondContact N-O 2.96Å; S89-R106 PolarHBondContact O-N 3.13Å
90	V	91.8	Very high	88.7	Confident	32 Å²	32	59.7 Å²	59.7	19%	0.194	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.1	169.8	-170.6	0	0	0	0	107.5	I82 G83 A103 V104 K105	I82-V90 HydrophobicContact CD1-CG1 3.8Å; I82-V90 HydrophobicContact CG1-CB 4.09Å; I82-V90 HydrophobicContact CG1-CG1 3.76Å; I82-V90 VanDerWaalsContact CG1-O 3.29Å; I82-V90 WeakPolarHBondContact CG1-O 3.19Å; I82-V90 PolarHBondContact N-O 2.92Å; G83-V90 PolarHBondContact N-O 3.2Å; G83-V90 PolarHBondContact O-N 3.49Å; V90-A103 HydrophobicContact CG1-CB 4.05Å; V90-V104 WeakPolarHBondContact CA-O 3.43Å; V90-K105 HydrophobicContact CG2-CB 4.22Å; V90-K105 HydrophobicContact CG2-CD 4.44Å; V90-K105 HydrophobicContact CG2-CG 4.06Å
91	N	95.3	Very high	88.7	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.064	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.9	179.2	-70.3	68.2	0	0	0	109.8	D78 G80 S89 M93 V104	D78-N91 PolarHBondContact OD1-ND2 2.92Å; D78-N91 PolarHBondContact OD2-ND2 3.43Å; G80-N91 WeakPolarHBondContact O-CA 3.36Å; S89-N91 PolarHBondContact OG-OD1 2.95Å; N91-M93 HydrophobicContact CB-CE 3.64Å; N91-M93 HydrophobicContact CB-CG 4.11Å; N91-V104 PolarHBondContact N-O 3.14Å; N91-V104 PolarHBondContact O-N 3.29Å
92	K	97.5	Very high	88.9	Confident	78 Å²	78	55 Å²	55	34%	0.339	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125	163.7	-178.7	178.4	-177.1	175.9	0	107.1	L79 G80 I82 V101 M102 L154	L79-K92 WeakPolarHBondContact CA-O 3.31Å; L79-K92 HydrophobicContact CB-CB 4.28Å; L79-K92 HydrophobicContact CB-CD 4.31Å; L79-K92 HydrophobicContact CB-CG 4.07Å; L79-K92 VanDerWaalsContact CB-O 3.31Å; L79-K92 WeakPolarHBondContact CB-O 3.3Å; L79-K92 HydrophobicContact CD1-CD 4.41Å; L79-K92 HydrophobicContact CD1-CG 4.17Å; L79-K92 PolarHBondContact N-O 2.96Å; G80-K92 PolarHBondContact O-N 3.36Å; I82-K92 HydrophobicContact CG2-CB 3.72Å; K92-V101 HydrophobicContact CD-CG1 4.27Å; K92-V101 HydrophobicContact CG-CG1 3.9Å; K92-M102 WeakPolarHBondContact CA-O 3.31Å; K92-L154 HydrophobicContact CD-CD2 3.95Å; K92-L154 HydrophobicContact CG-CD2 3.99Å
93	M	98	Very high	89.1	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.1	177.7	-55.5	-163.9	172.2	0	0	111.1	L76 E77 D78 N91 V101 M102 V104 W149	L76-M93 HydrophobicContact CB-SD 3.95Å; L76-M93 HydrophobicContact CD1-SD 4.19Å; E77-M93 CarbonylContact O-C 3.55Å; E77-M93 WeakPolarHBondContact O-CA 3.47Å; E77-M93 WeakPolarHBondContact O-CB 3.43Å; D78-M93 HydrophobicContact CB-CE 4.29Å; N91-M93 HydrophobicContact CB-CE 3.64Å; N91-M93 HydrophobicContact CB-CG 4.11Å; M93-V101 CarbonylContact O-C 3.46Å; M93-V101 WeakPolarHBondContact O-CA 3.46Å; M93-M102 PolarHBondContact N-O 2.76Å; M93-M102 PolarHBondContact O-N 3.44Å; M93-V104 HydrophobicContact CB-CB 4.49Å; M93-V104 HydrophobicContact CB-CG2 3.7Å; M93-V104 HydrophobicContact CE-CB 4.25Å; M93-V104 HydrophobicContact CE-CG1 4.34Å; M93-V104 HydrophobicContact CG-CB 3.91Å; M93-V104 HydrophobicContact CG-CG2 3.66Å; M93-V104 HydrophobicContact SD-CB 3.72Å; M93-V104 HydrophobicContact SD-CG1 3.97Å; M93-V104 HydrophobicContact SD-CG2 3.67Å; M93-W149 HydrophobicContact CE-CE3 4.44Å; M93-W149 HydrophobicContact CE-CH2 4.37Å; M93-W149 HydrophobicContact CE-CZ3 3.86Å; M93-W149 HydrophobicContact SD-CE3 4.42Å; M93-W149 HydrophobicContact SD-CZ3 3.99Å
94	R	98.2	Very high	89.7	Confident	93 Å²	93	51 Å²	51	35%	0.351	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.7	171.3	-180	-171.1	-65.1	143.3	-7.8	109.5	E77 L79 R96 K100 V101	E77-R94 HydrophobicContact CB-CB 4.32Å; E77-R94 PolarHBondContact N-O 3.41Å; E77-R94 PolarHBondContact O-N 2.91Å; E77-R94 IonicContact OE2-CZ 3.46Å; E77-R94 IonicContact OE2-NH1 3.57Å; E77-R94 PolarHBondContact OE2-NH1 3.44Å; L79-R94 HydrophobicContact CD1-CB 3.99Å; L79-R94 HydrophobicContact CG-CB 4.44Å; R94-R96 PolarHBondContact O-N 3.15Å; R94-K100 CarbonylContact C-O 3.56Å; R94-K100 WeakPolarHBondContact CA-O 3.25Å; R94-V101 HydrophobicContact CB-CG2 4.37Å; R94-V101 HydrophobicContact CG-CG2 4.37Å
95	H	97.4	Very high	90.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.9	167	178.1	-125.4	0	0	0	109.3	L61 F69 D75 L76 V97 S98 S99 K100 M102	L61-H95 HydrophobicContact CD2-CB 3.83Å; L61-H95 VanDerWaalsContact CD2-CG 3.46Å; L61-H95 WeakPolarHBondContact CD2-ND1 3.28Å; F69-H95 AromaticContact CD2-CE1 3.97Å; F69-H95 AromaticContact CG-CE1 3.75Å; D75-H95 WeakPolarHBondContact O-CA 3.32Å; D75-H95 PolarHBondContact O-CD2 3.46Å; L76-H95 HydrophobicContact CD2-CB 4.01Å; H95-V97 PolarHBondContact O-N 2.87Å; H95-S98 WeakPolarHBondContact ND1-CB 3.5Å; H95-S98 PolarHBondContact ND1-N 3.4Å; H95-S98 PolarHBondContact ND1-OG 2.97Å; H95-S99 WeakPolarHBondContact O-CA 3.3Å; H95-S99 PolarHBondContact O-N 3.29Å; H95-K100 PolarHBondContact N-O 3.37Å; H95-M102 HydrophobicContact CB-CE 3.58Å
96	R	97	Very high	91.2	Very high	130 Å²	130	45.3 Å²	45.3	49%	0.491	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-42.5	-169.6	-67.6	179.5	-174.6	-70.6	-1.9	112.4	D75 E77 R94	D75-R96 WeakPolarHBondContact O-CG 3.22Å; D75-R96 PolarHBondContact O-N 2.88Å; E77-R96 HydrophobicContact CB-CG 4.3Å; E77-R96 IonicContact OE1-NH1 3.89Å; E77-R96 PolarHBondContact OE1-NH1 2.69Å; R94-R96 PolarHBondContact O-N 3.15Å
97	V	95.3	Very high	92.2	Very high	98 Å²	98	40.6 Å²	40.6	59%	0.594	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-48.3	-175.3	-177.9	0	0	0	0	111.6	F69 H95	F69-V97 HydrophobicContact CD1-CG1 4.01Å; F69-V97 HydrophobicContact CE1-CG1 3.83Å; H95-V97 PolarHBondContact O-N 2.87Å
98	S	95.4	Very high	93	Very high	27 Å²	27	43.1 Å²	43.1	19%	0.189	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.2	-177.8	72.1	0	0	0	0	114	F69 H95 K100	F69-S98 VanDerWaalsContact CE2-CB 3.4Å; H95-S98 WeakPolarHBondContact ND1-CB 3.5Å; H95-S98 PolarHBondContact ND1-N 3.4Å; H95-S98 PolarHBondContact ND1-OG 2.97Å; S98-K100 PolarHBondContact O-N 3.14Å; S98-K100 VanDerWaalsContact OG-CB 3.31Å; S98-K100 WeakPolarHBondContact OG-CB 3.24Å; S98-K100 PolarHBondContact OG-N 3.45Å
99	S	96.4	Very high	93	Very high	81 Å²	81	42.3 Å²	42.3	57%	0.566	21%	0.212	S	C	*	.			trans	57.5	9.5	-169.4	-60.9	0	0	0	0	114.9	H95 V101	H95-S99 WeakPolarHBondContact O-CA 3.3Å; H95-S99 PolarHBondContact O-N 3.29Å; S99-V101 PolarHBondContact O-N 3.23Å
100	K	96.6	Very high	92.5	Very high	65 Å²	65	45.8 Å²	45.8	28%	0.283	23%	0.228	S	C	.	.			trans	-67.6	126.9	179.6	-177.4	76.6	172.8	-167.9	0	109.9	I63 R94 H95 S98 M102 Y139	I63-K100 HydrophobicContact CD1-CB 4.02Å; I63-K100 HydrophobicContact CD1-CG 3.79Å; I63-K100 HydrophobicContact CG1-CB 4.43Å; I63-K100 HydrophobicContact CG2-CD 3.99Å; I63-K100 HydrophobicContact CG2-CG 4.33Å; R94-K100 CarbonylContact C-O 3.56Å; R94-K100 WeakPolarHBondContact CA-O 3.25Å; H95-K100 PolarHBondContact N-O 3.37Å; S98-K100 PolarHBondContact O-N 3.14Å; S98-K100 VanDerWaalsContact OG-CB 3.31Å; S98-K100 WeakPolarHBondContact OG-CB 3.24Å; S98-K100 PolarHBondContact OG-N 3.45Å; K100-M102 HydrophobicContact CB-CE 3.99Å; K100-M102 HydrophobicContact CG-CE 3.93Å; K100-M102 WeakPolarHBondContact O-CE 3.31Å; K100-Y139 WeakPolarHBondContact CE-OH 3.49Å; K100-Y139 HydrophobicContact CG-CE2 4.5Å; K100-Y139 PolarHBondContact NZ-OH 3.24Å
101	V	97.5	Very high	91.7	Very high	49 Å²	49	45.2 Å²	45.2	30%	0.297	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.4	169.9	-179.9	0	0	0	0	109.4	L79 K92 M93 R94 S99 L154	L79-V101 HydrophobicContact CD1-CG1 4.43Å; K92-V101 HydrophobicContact CD-CG1 4.27Å; K92-V101 HydrophobicContact CG-CG1 3.9Å; M93-V101 CarbonylContact O-C 3.46Å; M93-V101 WeakPolarHBondContact O-CA 3.46Å; R94-V101 HydrophobicContact CB-CG2 4.37Å; R94-V101 HydrophobicContact CG-CG2 4.37Å; S99-V101 PolarHBondContact O-N 3.23Å; V101-L154 HydrophobicContact CG1-CD2 3.84Å
102	M	96.6	Very high	91.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.5	-172.2	61.9	-168.4	73.4	0	0	111.6	L61 I63 L76 K92 M93 H95 K100 V104 Y139 C151 M152	L61-M102 HydrophobicContact CD1-CE 4.3Å; L61-M102 HydrophobicContact CD1-SD 4.16Å; L61-M102 HydrophobicContact CD2-CE 4.07Å; I63-M102 HydrophobicContact CD1-CE 4.44Å; L76-M102 HydrophobicContact CD2-SD 4.21Å; K92-M102 WeakPolarHBondContact CA-O 3.31Å; M93-M102 PolarHBondContact N-O 2.76Å; M93-M102 PolarHBondContact O-N 3.44Å; H95-M102 HydrophobicContact CB-CE 3.58Å; K100-M102 HydrophobicContact CB-CE 3.99Å; K100-M102 HydrophobicContact CG-CE 3.93Å; K100-M102 WeakPolarHBondContact O-CE 3.31Å; M102-V104 HydrophobicContact CG-CG2 3.88Å; M102-V104 HydrophobicContact SD-CG2 4.27Å; M102-Y139 HydrophobicContact CB-CD2 3.96Å; M102-Y139 HydrophobicContact CB-CE2 3.97Å; M102-Y139 HydrophobicContact SD-CD2 4.45Å; M102-C151 HydrophobicContact SD-CB 3.7Å; M102-M152 VanDerWaalsContact CB-O 3.29Å; M102-M152 WeakPolarHBondContact CB-O 3.44Å
103	A	95.4	Very high	90.4	Very high	7 Å²	7	48.7 Å²	48.7	6%	0.058	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.8	163.7	0	0	0	0	0	108.8	I82 V90 M152 L154	I82-A103 HydrophobicContact CD1-CB 4.01Å; V90-A103 HydrophobicContact CG1-CB 4.05Å; A103-M152 HydrophobicContact CB-CG 3.9Å; A103-M152 PolarHBondContact N-O 3.44Å; A103-M152 PolarHBondContact O-N 2.88Å; A103-L154 HydrophobicContact CB-CD1 4.07Å
104	V	94.1	Very high	89.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	110.9	176.5	-178.1	0	0	0	0	108.5	L76 V90 N91 M93 M102 W149 I150	L76-V104 HydrophobicContact CD1-CG2 4.33Å; V90-V104 WeakPolarHBondContact CA-O 3.43Å; N91-V104 PolarHBondContact N-O 3.14Å; N91-V104 PolarHBondContact O-N 3.29Å; M93-V104 HydrophobicContact CB-CB 4.49Å; M93-V104 HydrophobicContact CB-CG2 3.7Å; M93-V104 HydrophobicContact CE-CB 4.25Å; M93-V104 HydrophobicContact CE-CG1 4.34Å; M93-V104 HydrophobicContact CG-CB 3.91Å; M93-V104 HydrophobicContact CG-CG2 3.66Å; M93-V104 HydrophobicContact SD-CB 3.72Å; M93-V104 HydrophobicContact SD-CG1 3.97Å; M93-V104 HydrophobicContact SD-CG2 3.67Å; M102-V104 HydrophobicContact CG-CG2 3.88Å; M102-V104 HydrophobicContact SD-CG2 4.27Å; V104-W149 HydrophobicContact CG1-CB 4.05Å; V104-W149 HydrophobicContact CG1-CD2 4.36Å; V104-W149 HydrophobicContact CG1-CE3 3.85Å; V104-W149 HydrophobicContact CG1-CG 4.49Å; V104-I150 WeakPolarHBondContact CA-O 3.37Å
105	K	90.3	Very high	88.8	Confident	12 Å²	12	56.3 Å²	56.3	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.7	176.7	-175.5	170.8	-176.6	179.4	0	109.3	V90 M107 W149 I150 M152 D221	V90-K105 HydrophobicContact CG2-CB 4.22Å; V90-K105 HydrophobicContact CG2-CD 4.44Å; V90-K105 HydrophobicContact CG2-CG 4.06Å; K105-M107 HydrophobicContact CD-CE 4.19Å; K105-M107 HydrophobicContact CD-CG 4.45Å; K105-M107 HydrophobicContact CD-SD 4.13Å; K105-M107 HydrophobicContact CG-CE 4.28Å; K105-M107 HydrophobicContact CG-CG 4.06Å; K105-M107 HydrophobicContact CG-SD 4.34Å; K105-W149 CarbonylContact O-C 3.54Å; K105-W149 WeakPolarHBondContact O-CA 3.48Å; K105-I150 PolarHBondContact N-O 3.18Å; K105-I150 PolarHBondContact O-N 3.39Å; K105-M152 HydrophobicContact CB-CE 3.88Å; K105-D221 IonicContact NZ-OD1 3.93Å; K105-D221 PolarHBondContact NZ-OD1 3.15Å; K105-D221 IonicContact NZ-OD2 3.08Å; K105-D221 PolarHBondContact NZ-OD2 2.71Å
106	R	89.4	Confident	88.1	Confident	75 Å²	75	58.5 Å²	58.5	28%	0.283	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.3	177.3	-63.4	-179.3	58.5	-175.8	-2.5	109	G88 S89 D147 W149	G88-R106 WeakPolarHBondContact CA-O 3.33Å; S89-R106 PolarHBondContact N-O 2.96Å; S89-R106 PolarHBondContact O-N 3.13Å; R106-D147 IonicContact CZ-OD2 3.24Å; R106-D147 IonicContact NE-OD2 3.48Å; R106-D147 IonicContact NH2-OD2 3.95Å; R106-D147 PolarHBondContact NH2-OD2 3.1Å; R106-D147 VanDerWaalsContact NH2-OD2 3.08Å; R106-W149 HydrophobicContact CG-CD2 3.95Å; R106-W149 HydrophobicContact CG-CG 4.07Å; R106-W149 HydrophobicContact CG-CZ2 4.47Å
107	M	82.9	Confident	87.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.8	179.5	-68.6	-179.8	-75.4	0	0	110.1	F87 K105 S109 D147 C148 I150 L228	F87-M107 HydrophobicContact CB-CG 4.25Å; F87-M107 HydrophobicContact CB-SD 4.29Å; K105-M107 HydrophobicContact CD-CE 4.19Å; K105-M107 HydrophobicContact CD-CG 4.45Å; K105-M107 HydrophobicContact CD-SD 4.13Å; K105-M107 HydrophobicContact CG-CE 4.28Å; K105-M107 HydrophobicContact CG-CG 4.06Å; K105-M107 HydrophobicContact CG-SD 4.34Å; M107-S109 PolarHBondContact O-N 3.28Å; M107-D147 CarbonylContact O-C 3.52Å; M107-D147 WeakPolarHBondContact O-CA 3.5Å; M107-C148 PolarHBondContact N-O 2.94Å; M107-C148 PolarHBondContact O-N 3.16Å; M107-I150 HydrophobicContact CE-CD1 3.26Å; M107-I150 HydrophobicContact CE-CG1 3.91Å; M107-L228 HydrophobicContact CB-CD2 3.73Å; M107-L228 HydrophobicContact CE-CD2 3.41Å; M107-L228 VanDerWaalsContact CE-CD2 3.41Å; M107-L228 HydrophobicContact CG-CD2 4.37Å; M107-L228 HydrophobicContact SD-CD2 3.79Å
108	H	81.5	Confident	86.5	Confident	92 Å²	92	58.9 Å²	58.9	43%	0.426	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	124.8	176.4	-170.3	62.1	0	0	0	110.5	D147 I232	H108-D147 WeakPolarHBondContact CA-OD1 3.49Å; H108-D147 IonicContact CG-OD1 2.71Å; H108-D147 IonicContact ND1-OD1 3.31Å; H108-D147 PolarHBondContact ND1-OD1 3.43Å; H108-I232 WeakPolarHBondContact O-CD1 3.24Å; H108-I232 WeakPolarHBondContact O-CG1 3.38Å
109	S	78.4	Confident	85.6	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.063	29%	0.294	C	S	.	.			trans	-107.7	122.2	-176.5	-174.2	0	0	0	0	110.7	M107 M111 G146	M107-S109 PolarHBondContact O-N 3.28Å; S109-M111 VanDerWaalsContact C-N 3.26Å; S109-M111 VanDerWaalsContact OG-CB 3.3Å; S109-M111 WeakPolarHBondContact OG-CB 3.48Å; S109-M111 PolarHBondContact OG-N 3Å; S109-G146 WeakPolarHBondContact CA-O 3.44Å; S109-G146 VanDerWaalsContact CB-O 3.29Å; S109-G146 WeakPolarHBondContact CB-O 3.29Å; S109-G146 PolarHBondContact N-O 2.85Å; S109-G146 VanDerWaalsContact O-O 3.11Å
110	L	76.6	Confident	84.8	Confident	98 Å²	98	56.9 Å²	56.9	51%	0.513	28%	0.282	S	S	.	.			trans	-91	8.4	168.3	-58.7	178.6	0	0	0	112.2	T235	L110-T235 HydrophobicContact CD1-CG2 4.02Å
111	M	75.6	Confident	83.9	Confident	20 Å²	20	58.3 Å²	58.3	10%	0.099	29%	0.291	C	S	.	.			trans	-76.3	140.4	-173	-68.6	177.7	168.7	0	0	112.2	S109 E115 Q116 L119 L228	S109-M111 VanDerWaalsContact C-N 3.26Å; S109-M111 VanDerWaalsContact OG-CB 3.3Å; S109-M111 WeakPolarHBondContact OG-CB 3.48Å; S109-M111 PolarHBondContact OG-N 3Å; M111-E115 VanDerWaalsContact CA-OE2 3.24Å; M111-E115 WeakPolarHBondContact CA-OE2 3.38Å; M111-E115 HydrophobicContact CB-CB 3.73Å; M111-E115 HydrophobicContact CG-CB 4.02Å; M111-E115 HydrophobicContact SD-CB 4.36Å; M111-Q116 HydrophobicContact CB-CG 3.87Å; M111-Q116 PolarHBondContact O-NE2 2.87Å; M111-L119 HydrophobicContact CE-CD1 4.24Å; M111-L119 HydrophobicContact SD-CB 4.49Å; M111-L119 HydrophobicContact SD-CD2 4.23Å; M111-L228 HydrophobicContact CE-CB 4.13Å; M111-L228 HydrophobicContact CE-CD1 3.4Å; M111-L228 HydrophobicContact CE-CG 4.35Å; M111-L228 HydrophobicContact CG-CD1 4.23Å; M111-L228 HydrophobicContact SD-CD1 3.54Å; M111-L228 VanDerWaalsContact SD-CD1 3.54Å
112	D	82.3	Confident	82.7	Confident	86 Å²	86	57.6 Å²	57.6	46%	0.46	29%	0.285	S	S	.	.			trans	-72.1	167.9	169.3	75.2	31.9	0	0	0	111.9	K114 E115 Q116	D112-K114 PolarHBondContact O-N 3.32Å; D112-K114 VanDerWaalsContact O-N 3.12Å; D112-K114 WeakPolarHBondContact OD1-CA 3.48Å; D112-K114 VanDerWaalsContact OD1-CB 3.25Å; D112-K114 WeakPolarHBondContact OD1-CB 3.34Å; D112-K114 PolarHBondContact OD1-N 3.45Å; D112-E115 PolarHBondContact N-OE2 2.87Å; D112-E115 VanDerWaalsContact N-OE2 3.12Å; D112-E115 PolarHBondContact O-N 3.13Å; D112-E115 VanDerWaalsContact O-N 3.15Å; D112-E115 PolarHBondContact OD1-N 3.44Å; D112-Q116 WeakPolarHBondContact O-CB 3.3Å; D112-Q116 WeakPolarHBondContact O-CG 3.35Å; D112-Q116 PolarHBondContact O-N 2.88Å
113	A	82.9	Confident	81.6	Confident	76 Å²	76	57.9 Å²	57.9	63%	0.628	29%	0.287	S	S	*	.	H	α-helix	trans	-58.6	-28.4	-177.5	0	0	0	0	0	113.8	K117	A113-K117 WeakPolarHBondContact O-CB 3.28Å; A113-K117 PolarHBondContact O-N 2.67Å; A113-K117 VanDerWaalsContact O-N 3.09Å
114	K	83	Confident	80.5	Confident	174 Å²	174	60.5 Å²	60.5	76%	0.757	30%	0.3	S	S	*	.	H	α-helix	trans	-75	-44	178.4	-179.1	-173.6	175.7	-173.5	0	110.4	D112 K117 Q118	D112-K114 PolarHBondContact O-N 3.32Å; D112-K114 VanDerWaalsContact O-N 3.12Å; D112-K114 WeakPolarHBondContact OD1-CA 3.48Å; D112-K114 VanDerWaalsContact OD1-CB 3.25Å; D112-K114 WeakPolarHBondContact OD1-CB 3.34Å; D112-K114 PolarHBondContact OD1-N 3.45Å; K114-K117 PolarHBondContact O-N 3.3Å; K114-Q118 PolarHBondContact O-N 3.37Å
115	E	80.5	Confident	79.4	Confident	82 Å²	82	65 Å²	65	38%	0.383	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-41.8	174.5	-70.6	-179.2	139	0	0	111.5	M111 D112 Q118 L119	M111-E115 VanDerWaalsContact CA-OE2 3.24Å; M111-E115 WeakPolarHBondContact CA-OE2 3.38Å; M111-E115 HydrophobicContact CB-CB 3.73Å; M111-E115 HydrophobicContact CG-CB 4.02Å; M111-E115 HydrophobicContact SD-CB 4.36Å; D112-E115 PolarHBondContact N-OE2 2.87Å; D112-E115 VanDerWaalsContact N-OE2 3.12Å; D112-E115 PolarHBondContact O-N 3.13Å; D112-E115 VanDerWaalsContact O-N 3.15Å; D112-E115 PolarHBondContact OD1-N 3.44Å; E115-Q118 PolarHBondContact O-N 3.1Å; E115-L119 PolarHBondContact O-N 3.33Å
116	Q	81.6	Confident	78.5	Confident	48 Å²	48	65 Å²	65	22%	0.224	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-48.4	174.1	-69.5	178.5	6.1	0	0	111.6	M111 D112 Q118 L119 L120 F143	M111-Q116 HydrophobicContact CB-CG 3.87Å; M111-Q116 PolarHBondContact O-NE2 2.87Å; D112-Q116 WeakPolarHBondContact O-CB 3.3Å; D112-Q116 WeakPolarHBondContact O-CG 3.35Å; D112-Q116 PolarHBondContact O-N 2.88Å; Q116-Q118 VanDerWaalsContact C-N 3.32Å; Q116-Q118 PolarHBondContact O-N 3.37Å; Q116-L119 WeakPolarHBondContact O-CB 3.49Å; Q116-L119 PolarHBondContact O-N 3.46Å; Q116-L120 WeakPolarHBondContact O-CG 3.49Å; Q116-L120 PolarHBondContact O-N 3.44Å; Q116-F143 HydrophobicContact CB-CD1 4.47Å; Q116-F143 HydrophobicContact CB-CD2 3.89Å; Q116-F143 HydrophobicContact CB-CE1 4.17Å; Q116-F143 HydrophobicContact CB-CE2 3.54Å; Q116-F143 HydrophobicContact CB-CG 4.33Å; Q116-F143 HydrophobicContact CB-CZ 3.69Å; Q116-F143 HydrophobicContact CG-CD1 3.82Å; Q116-F143 HydrophobicContact CG-CD2 4.14Å; Q116-F143 HydrophobicContact CG-CE1 3.54Å; Q116-F143 HydrophobicContact CG-CE2 3.88Å; Q116-F143 HydrophobicContact CG-CG 4.1Å; Q116-F143 HydrophobicContact CG-CZ 3.57Å
117	K	80	Confident	77.6	Confident	134 Å²	134	62.1 Å²	62.1	58%	0.583	32%	0.318	S	S	*	.	H	α-helix	trans	-60.1	-42.1	176.8	-175.1	176.2	-178.2	175.6	0	111.9	A113 K114 L119 L120 M121	A113-K117 WeakPolarHBondContact O-CB 3.28Å; A113-K117 PolarHBondContact O-N 2.67Å; A113-K117 VanDerWaalsContact O-N 3.09Å; K114-K117 PolarHBondContact O-N 3.3Å; K117-L119 VanDerWaalsContact C-N 3.35Å; K117-L120 PolarHBondContact O-N 3.29Å; K117-M121 HydrophobicContact CD-CE 4.27Å; K117-M121 VanDerWaalsContact CE-CE 3.44Å; K117-M121 HydrophobicContact CG-CE 4.02Å; K117-M121 HydrophobicContact CG-SD 4.44Å; K117-M121 WeakPolarHBondContact O-CG 3.2Å; K117-M121 PolarHBondContact O-N 3.22Å
118	Q	79.3	Confident	76.8	Confident	102 Å²	102	70 Å²	70	48%	0.477	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-39.9	176.5	-172.4	62.5	55.8	0	0	111.7	K114 E115 Q116 L120 M121 D122	K114-Q118 PolarHBondContact O-N 3.37Å; E115-Q118 PolarHBondContact O-N 3.1Å; Q116-Q118 VanDerWaalsContact C-N 3.32Å; Q116-Q118 PolarHBondContact O-N 3.37Å; Q118-L120 PolarHBondContact O-N 3.06Å; Q118-M121 PolarHBondContact O-N 2.86Å; Q118-D122 PolarHBondContact NE2-OD1 3.4Å; Q118-D122 PolarHBondContact O-N 3.15Å
119	L	77.2	Confident	75.8	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-46.1	176.4	-166.7	80.2	0	0	0	111.4	M111 E115 Q116 K117 M121 D122 L123 F143 I224 L228	M111-L119 HydrophobicContact CE-CD1 4.24Å; M111-L119 HydrophobicContact SD-CB 4.49Å; M111-L119 HydrophobicContact SD-CD2 4.23Å; E115-L119 PolarHBondContact O-N 3.33Å; Q116-L119 WeakPolarHBondContact O-CB 3.49Å; Q116-L119 PolarHBondContact O-N 3.46Å; K117-L119 VanDerWaalsContact C-N 3.35Å; L119-M121 VanDerWaalsContact C-N 3.34Å; L119-M121 PolarHBondContact O-N 2.91Å; L119-D122 PolarHBondContact O-N 3.44Å; L119-L123 HydrophobicContact CG-CD1 4.46Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 2.89Å; L119-F143 HydrophobicContact CB-CZ 4.46Å; L119-F143 HydrophobicContact CD2-CE2 4.39Å; L119-F143 HydrophobicContact CD2-CZ 3.67Å; L119-I224 HydrophobicContact CD1-CG2 3.26Å; L119-I224 HydrophobicContact CG-CG2 3.84Å; L119-L228 HydrophobicContact CD1-CB 4.46Å; L119-L228 HydrophobicContact CD2-CD1 4.46Å
120	L	79.2	Confident	75.2	Confident	59 Å²	59	69 Å²	69	31%	0.309	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-39.4	177.5	-65.7	176.4	0	0	0	112	Q116 K117 Q118 L123 D124 A141 F143	Q116-L120 WeakPolarHBondContact O-CG 3.49Å; Q116-L120 PolarHBondContact O-N 3.44Å; K117-L120 PolarHBondContact O-N 3.29Å; Q118-L120 PolarHBondContact O-N 3.06Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-D124 PolarHBondContact O-N 3.48Å; L120-A141 HydrophobicContact CD2-CB 3.8Å; L120-F143 HydrophobicContact CD1-CD2 4.14Å; L120-F143 HydrophobicContact CD1-CE2 4.22Å; L120-F143 HydrophobicContact CD2-CD2 4.33Å; L120-F143 HydrophobicContact CD2-CE2 4.03Å; L120-F143 HydrophobicContact CG-CD2 4.27Å; L120-F143 HydrophobicContact CG-CE2 3.89Å
121	M	76.4	Confident	75.3	Confident	96 Å²	96	70.9 Å²	70.9	47%	0.473	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-44.7	175.1	-74.1	176	170.8	0	0	112	K117 Q118 L119 L123 D124 V125	K117-M121 HydrophobicContact CD-CE 4.27Å; K117-M121 VanDerWaalsContact CE-CE 3.44Å; K117-M121 HydrophobicContact CG-CE 4.02Å; K117-M121 HydrophobicContact CG-SD 4.44Å; K117-M121 WeakPolarHBondContact O-CG 3.2Å; K117-M121 PolarHBondContact O-N 3.22Å; Q118-M121 PolarHBondContact O-N 2.86Å; L119-M121 VanDerWaalsContact C-N 3.34Å; L119-M121 PolarHBondContact O-N 2.91Å; M121-L123 VanDerWaalsContact C-N 3.31Å; M121-L123 PolarHBondContact O-N 3.32Å; M121-D124 PolarHBondContact O-N 3.05Å; M121-V125 PolarHBondContact O-N 3.47Å
122	D	73.1	Confident	76	Confident	33 Å²	33	70.7 Å²	70.7	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-41.9	176.2	-69.8	1.8	0	0	0	109.8	Q118 L119 D124 V125 I126 I224 K227	Q118-D122 PolarHBondContact NE2-OD1 3.4Å; Q118-D122 PolarHBondContact O-N 3.15Å; L119-D122 PolarHBondContact O-N 3.44Å; D122-D124 VanDerWaalsContact C-N 3.33Å; D122-D124 PolarHBondContact O-N 3.4Å; D122-V125 WeakPolarHBondContact O-CB 3.18Å; D122-V125 PolarHBondContact O-N 2.92Å; D122-I126 PolarHBondContact O-N 3.26Å; D122-I224 HydrophobicContact CB-CD1 3.48Å; D122-I224 VanDerWaalsContact CB-CD1 3.48Å; D122-I224 HydrophobicContact CB-CG1 4.02Å; D122-I224 HydrophobicContact CB-CG2 4.43Å; D122-I224 WeakPolarHBondContact O-CD1 3.34Å; D122-K227 IonicContact OD2-NZ 2.93Å; D122-K227 PolarHBondContact OD2-NZ 2.94Å
123	L	74.6	Confident	76.6	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-39.3	179.8	-78.7	172.6	0	0	0	111.2	L119 L120 M121 V125 I126 M127 A141 I224	L119-L123 HydrophobicContact CG-CD1 4.46Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 2.89Å; L120-L123 PolarHBondContact O-N 2.87Å; M121-L123 VanDerWaalsContact C-N 3.31Å; M121-L123 PolarHBondContact O-N 3.32Å; L123-V125 VanDerWaalsContact C-N 3.27Å; L123-V125 PolarHBondContact O-N 3.11Å; L123-I126 CarbonylContact O-C 3.58Å; L123-I126 WeakPolarHBondContact O-CA 3.47Å; L123-I126 PolarHBondContact O-N 2.93Å; L123-M127 VanDerWaalsContact O-CG 3.26Å; L123-M127 WeakPolarHBondContact O-CG 3.28Å; L123-M127 PolarHBondContact O-N 3.38Å; L123-A141 HydrophobicContact CD1-CB 3.51Å; L123-I224 HydrophobicContact CB-CD1 4.44Å; L123-I224 HydrophobicContact CD2-CB 3.89Å; L123-I224 HydrophobicContact CD2-CD1 3.92Å; L123-I224 HydrophobicContact CD2-CG2 3.79Å; L123-I224 HydrophobicContact CG-CB 4.37Å; L123-I224 HydrophobicContact CG-CD1 4.13Å; L123-I224 HydrophobicContact CG-CG2 3.76Å; L123-I224 VanDerWaalsContact N-CD1 3.32Å
124	D	72.4	Confident	77.2	Confident	62 Å²	62	70.1 Å²	70.1	33%	0.332	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-36.5	175.3	-178.8	46.6	0	0	0	112	L120 M121 D122 I126 M127 R128	L120-D124 PolarHBondContact O-N 3.48Å; M121-D124 PolarHBondContact O-N 3.05Å; D122-D124 VanDerWaalsContact C-N 3.33Å; D122-D124 PolarHBondContact O-N 3.4Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 2.85Å; D124-M127 PolarHBondContact O-N 3.14Å; D124-R128 WeakPolarHBondContact O-CD 3.41Å; D124-R128 VanDerWaalsContact O-CG 3.24Å; D124-R128 WeakPolarHBondContact O-CG 3.35Å; D124-R128 PolarHBondContact O-N 2.9Å; D124-R128 IonicContact OD1-CZ 3.75Å; D124-R128 IonicContact OD1-NE 3.68Å; D124-R128 PolarHBondContact OD1-NE 3.5Å; D124-R128 IonicContact OD1-NH2 2.71Å; D124-R128 IonicContact OD2-CZ 3.59Å; D124-R128 VanDerWaalsContact OD2-CZ 3.26Å; D124-R128 IonicContact OD2-NE 3.73Å; D124-R128 PolarHBondContact OD2-NE 3.42Å; D124-R128 VanDerWaalsContact OD2-NE 3.15Å; D124-R128 IonicContact OD2-NH2 2.71Å; D124-R128 PolarHBondContact OD2-NH2 2.96Å
125	V	70.9	Confident	77.6	Confident	94 Å²	94	62.4 Å²	62.4	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-62.8	-41.1	173.1	177.5	0	0	0	0	111.1	M121 D122 L123 R128	M121-V125 PolarHBondContact O-N 3.47Å; D122-V125 WeakPolarHBondContact O-CB 3.18Å; D122-V125 PolarHBondContact O-N 2.92Å; L123-V125 VanDerWaalsContact C-N 3.27Å; L123-V125 PolarHBondContact O-N 3.11Å; V125-R128 PolarHBondContact O-N 2.73Å
126	I	70.5	Confident	78.2	Confident	14 Å²	14	58.6 Å²	58.6	7%	0.072	29%	0.292	C	S	.	.	H	α-helix	trans	-71.1	-38.8	177.8	-63.8	-165.1	0	0	0	111.8	D122 L123 D124 R128 S129 F138 L197 F222 I224	D122-I126 PolarHBondContact O-N 3.26Å; L123-I126 CarbonylContact O-C 3.58Å; L123-I126 WeakPolarHBondContact O-CA 3.47Å; L123-I126 PolarHBondContact O-N 2.93Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 2.85Å; I126-R128 PolarHBondContact O-N 3.37Å; I126-R128 VanDerWaalsContact O-N 3.13Å; I126-S129 VanDerWaalsContact O-CB 3.3Å; I126-S129 WeakPolarHBondContact O-CB 3.43Å; I126-S129 PolarHBondContact O-N 3.3Å; I126-S129 PolarHBondContact O-OG 3.32Å; I126-F138 HydrophobicContact CG2-CD2 3.98Å; I126-F138 HydrophobicContact CG2-CE2 4.38Å; I126-L197 HydrophobicContact CG1-CD1 4.49Å; I126-F222 HydrophobicContact CD1-CD2 4.07Å; I126-F222 HydrophobicContact CD1-CE2 3.71Å; I126-F222 HydrophobicContact CG2-CE2 3.5Å; I126-F222 VanDerWaalsContact CG2-CE2 3.5Å; I126-F222 HydrophobicContact CG2-CZ 3.68Å; I126-I224 HydrophobicContact CB-CD1 4.27Å; I126-I224 HydrophobicContact CD1-CB 4.43Å; I126-I224 HydrophobicContact CD1-CD1 3.12Å; I126-I224 HydrophobicContact CD1-CG1 3.51Å; I126-I224 HydrophobicContact CG1-CD1 3.5Å; I126-I224 VanDerWaalsContact CG1-CD1 3.5Å; I126-I224 HydrophobicContact CG1-CG1 4.38Å
127	M	70.7	Confident	78.5	Confident	14 Å²	14	58.8 Å²	58.8	7%	0.069	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-15.5	176.3	-70.8	172.8	57	0	0	113.4	K62 L123 D124 S129 F138 Y139	K62-M127 HydrophobicContact CB-CE 3.78Å; L123-M127 VanDerWaalsContact O-CG 3.26Å; L123-M127 WeakPolarHBondContact O-CG 3.28Å; L123-M127 PolarHBondContact O-N 3.38Å; D124-M127 PolarHBondContact O-N 3.14Å; M127-S129 VanDerWaalsContact C-N 3.34Å; M127-F138 HydrophobicContact CG-CB 3.73Å; M127-Y139 WeakPolarHBondContact CE-O 3.37Å
128	R	65.1	Low	78.9	Confident	165 Å²	165	53 Å²	53	62%	0.623	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.9	173.4	-66.7	164.4	-172.3	-136.2	8.2	112.7	D124 V125 I126 D130	D124-R128 WeakPolarHBondContact O-CD 3.41Å; D124-R128 VanDerWaalsContact O-CG 3.24Å; D124-R128 WeakPolarHBondContact O-CG 3.35Å; D124-R128 PolarHBondContact O-N 2.9Å; D124-R128 IonicContact OD1-CZ 3.75Å; D124-R128 IonicContact OD1-NE 3.68Å; D124-R128 PolarHBondContact OD1-NE 3.5Å; D124-R128 IonicContact OD1-NH2 2.71Å; D124-R128 IonicContact OD2-CZ 3.59Å; D124-R128 VanDerWaalsContact OD2-CZ 3.26Å; D124-R128 IonicContact OD2-NE 3.73Å; D124-R128 PolarHBondContact OD2-NE 3.42Å; D124-R128 VanDerWaalsContact OD2-NE 3.15Å; D124-R128 IonicContact OD2-NH2 2.71Å; D124-R128 PolarHBondContact OD2-NH2 2.96Å; V125-R128 PolarHBondContact O-N 2.73Å; I126-R128 PolarHBondContact O-N 3.37Å; I126-R128 VanDerWaalsContact O-N 3.13Å; R128-D130 VanDerWaalsContact C-N 3.32Å; R128-D130 PolarHBondContact O-N 2.91Å
129	S	61.7	Low	79.4	Confident	17 Å²	17	48.4 Å²	48.4	12%	0.119	25%	0.247	C	C	.	.			trans	-95.5	36.6	-175	76.4	0	0	0	0	113.8	I126 M127 D131 Y192 L197	I126-S129 VanDerWaalsContact O-CB 3.3Å; I126-S129 WeakPolarHBondContact O-CB 3.43Å; I126-S129 PolarHBondContact O-N 3.3Å; I126-S129 PolarHBondContact O-OG 3.32Å; M127-S129 VanDerWaalsContact C-N 3.34Å; S129-D131 PolarHBondContact O-N 2.85Å; S129-Y192 WeakPolarHBondContact CB-OH 3.33Å; S129-Y192 PolarHBondContact O-OH 2.75Å; S129-L197 VanDerWaalsContact CB-CD2 3.48Å
130	D	65.1	Low	79.9	Confident	64 Å²	64	48.2 Å²	48.2	34%	0.342	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-0.8	-176.7	-72.9	-43.7	0	0	0	114.6	K62 R128 C132 Q137	K62-D130 IonicContact NZ-OD2 3.92Å; R128-D130 VanDerWaalsContact C-N 3.32Å; R128-D130 PolarHBondContact O-N 2.91Å; D130-C132 PolarHBondContact O-N 2.98Å; D130-Q137 PolarHBondContact OD1-NE2 3.01Å
131	D	79.5	Confident	80.4	Confident	137 Å²	137	45.7 Å²	45.7	73%	0.733	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.1	-171	-59.9	-29.8	0	0	0	114.8	S129 Y192	S129-D131 PolarHBondContact O-N 2.85Å; D131-Y192 HydrophobicContact CB-CE2 4.28Å
132	C	90	Very high	81.1	Confident	15 Å²	15	41.2 Å²	41.2	10%	0.101	21%	0.212	C	C	.	.			trans	-108.2	110.9	-177.1	-168.7	0	0	0	0	113	D130 Y134 I135 Y192	D130-C132 PolarHBondContact O-N 2.98Å; C132-Y134 PolarHBondContact O-N 3.47Å; C132-Y134 VanDerWaalsContact O-N 3.14Å; C132-I135 HydrophobicContact CB-CB 4.24Å; C132-I135 HydrophobicContact CB-CD1 3.94Å; C132-I135 HydrophobicContact CB-CG1 4.19Å; C132-I135 PolarHBondContact O-N 3.46Å; C132-Y192 HydrophobicContact CB-CD1 3.63Å; C132-Y192 HydrophobicContact CB-CD2 3.78Å; C132-Y192 HydrophobicContact CB-CE1 3.64Å; C132-Y192 HydrophobicContact CB-CE2 3.83Å; C132-Y192 HydrophobicContact CB-CG 3.67Å
133	P	94	Very high	81.7	Confident	84 Å²	84	40.5 Å²	40.5	55%	0.545	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.3	-180	30.4	-36.4	0	0	0	113.8	K218	P133-K218 VanDerWaalsContact O-CE 3.29Å; P133-K218 WeakPolarHBondContact O-CE 3.38Å; P133-K218 WeakPolarHBondContact O-CG 3.41Å
134	Y	95.7	Very high	82.2	Confident	67 Å²	67	43.6 Å²	43.6	26%	0.263	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	10.6	-178.3	-50.7	-66.1	0	0	0	113.1	C132 A185 K188 A189 K218 L219	C132-Y134 PolarHBondContact O-N 3.47Å; C132-Y134 VanDerWaalsContact O-N 3.14Å; Y134-A185 WeakPolarHBondContact CB-O 3.47Å; Y134-A185 HydrophobicContact CD1-CB 3.51Å; Y134-A185 HydrophobicContact CE1-CB 4.08Å; Y134-A185 HydrophobicContact CG-CB 4.21Å; Y134-K188 HydrophobicContact CD2-CB 3.58Å; Y134-K188 HydrophobicContact CD2-CD 4.05Å; Y134-K188 HydrophobicContact CD2-CG 4.49Å; Y134-K188 HydrophobicContact CE2-CB 3.78Å; Y134-K188 HydrophobicContact CE2-CD 3.32Å; Y134-K188 HydrophobicContact CE2-CG 4.21Å; Y134-K188 HydrophobicContact CG-CB 4.32Å; Y134-A189 WeakPolarHBondContact O-CB 3.46Å; Y134-K218 CarbonylContact O-C 3.58Å; Y134-K218 WeakPolarHBondContact O-CA 3.27Å; Y134-L219 PolarHBondContact O-N 3.21Å
135	I	92.3	Very high	82.7	Confident	11 Å²	11	48 Å²	48	6%	0.056	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-126.2	138.4	-178.5	-70.2	178.3	0	0	0	108.4	C132 Q137 A189 Y192 L193 F222	C132-I135 HydrophobicContact CB-CB 4.24Å; C132-I135 HydrophobicContact CB-CD1 3.94Å; C132-I135 HydrophobicContact CB-CG1 4.19Å; C132-I135 PolarHBondContact O-N 3.46Å; I135-Q137 PolarHBondContact O-N 2.98Å; I135-A189 HydrophobicContact CD1-CB 4.4Å; I135-A189 HydrophobicContact CG1-CB 3.77Å; I135-Y192 HydrophobicContact CD1-CD1 3.39Å; I135-Y192 HydrophobicContact CD1-CE1 4.02Å; I135-Y192 HydrophobicContact CD1-CG 4.21Å; I135-L193 HydrophobicContact CD1-CD2 3.64Å; I135-L193 HydrophobicContact CD1-CG 3.88Å; I135-F222 HydrophobicContact CB-CE1 4.46Å; I135-F222 HydrophobicContact CG2-CD1 4.02Å; I135-F222 HydrophobicContact CG2-CE1 3.08Å; I135-F222 HydrophobicContact CG2-CE2 4.22Å; I135-F222 HydrophobicContact CG2-CZ 3.19Å
136	V	91.9	Very high	83.2	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-63.4	127.2	178	170.6	0	0	0	0	110.6	F138 M152 E153 M155 L210 K218 L219 C220	V136-F138 VanDerWaalsContact O-CD2 3.25Å; V136-F138 WeakPolarHBondContact O-CD2 3.44Å; V136-F138 VanDerWaalsContact O-CE2 3.27Å; V136-F138 WeakPolarHBondContact O-CE2 3.43Å; V136-M152 HydrophobicContact CG1-CB 3.86Å; V136-M152 HydrophobicContact CG1-CG 4.12Å; V136-M152 HydrophobicContact CG1-SD 4.18Å; V136-E153 WeakPolarHBondContact CA-OE1 3.34Å; V136-E153 HydrophobicContact CB-CG 4.28Å; V136-E153 HydrophobicContact CG1-CG 3.57Å; V136-M155 HydrophobicContact CG2-CG 4.49Å; V136-L210 HydrophobicContact CG2-CD1 4Å; V136-K218 HydrophobicContact CG2-CB 3.77Å; V136-L219 PolarHBondContact N-O 3.1Å; V136-C220 HydrophobicContact CB-CB 4.06Å; V136-C220 HydrophobicContact CG2-CB 3.63Å
137	Q	88.9	Confident	83.9	Confident	53 Å²	53	45.8 Å²	45.8	25%	0.248	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-69.6	128	176.6	-170.2	174.5	27.2	0	0	111	D130 I135 Y139 M152 E153	D130-Q137 PolarHBondContact OD1-NE2 3.01Å; I135-Q137 PolarHBondContact O-N 2.98Å; Q137-Y139 HydrophobicContact CB-CE1 4.42Å; Q137-Y139 HydrophobicContact CG-CD1 4.26Å; Q137-Y139 HydrophobicContact CG-CE1 3.92Å; Q137-M152 CarbonylContact O-C 3.56Å; Q137-M152 VanDerWaalsContact O-CA 3.26Å; Q137-M152 WeakPolarHBondContact O-CA 3.45Å; Q137-M152 WeakPolarHBondContact O-CB 3.26Å; Q137-E153 HydrophobicContact CB-CB 4.31Å; Q137-E153 HydrophobicContact CB-CG 4.21Å; Q137-E153 PolarHBondContact N-OE1 2.96Å; Q137-E153 PolarHBondContact O-N 3.22Å
138	F	88.2	Confident	84.7	Confident	12 Å²	12	45.1 Å²	45.1	5%	0.053	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.1	173.1	-69.8	-94.7	0	0	0	109.7	I126 M127 V136 I150 M152 F222	I126-F138 HydrophobicContact CG2-CD2 3.98Å; I126-F138 HydrophobicContact CG2-CE2 4.38Å; M127-F138 HydrophobicContact CG-CB 3.73Å; V136-F138 VanDerWaalsContact O-CD2 3.25Å; V136-F138 WeakPolarHBondContact O-CD2 3.44Å; V136-F138 VanDerWaalsContact O-CE2 3.27Å; V136-F138 WeakPolarHBondContact O-CE2 3.43Å; F138-I150 HydrophobicContact CD1-CG2 3.58Å; F138-I150 HydrophobicContact CE1-CG2 3.7Å; F138-M152 HydrophobicContact CD1-CB 4.44Å; F138-M152 HydrophobicContact CE1-CE 4.14Å; F138-F222 HydrophobicContact CD2-CE1 4.37Å; F138-F222 HydrophobicContact CD2-CZ 4.03Å; F138-F222 HydrophobicContact CE2-CD1 4.35Å; F138-F222 AromaticContact CE2-CE1 3.34Å; F138-F222 HydrophobicContact CE2-CE1 3.34Å; F138-F222 HydrophobicContact CE2-CE2 4.34Å; F138-F222 AromaticContact CE2-CZ 3.34Å; F138-F222 HydrophobicContact CE2-CZ 3.34Å; F138-F222 AromaticContact CZ-CE1 3.96Å; F138-F222 HydrophobicContact CZ-CE1 3.96Å; F138-F222 HydrophobicContact CZ-CZ 4.21Å
139	Y	89.4	Confident	85.9	Confident	6 Å²	6	38.4 Å²	38.4	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-27.7	177.1	-58.2	-45.8	0	0	0	112.6	L61 K62 I63 K100 M102 M127 Q137 C151 M152 E153	L61-Y139 CarbonylContact C-O 3.44Å; L61-Y139 VanDerWaalsContact CA-O 3.26Å; L61-Y139 WeakPolarHBondContact CA-O 3.35Å; K62-Y139 PolarHBondContact N-O 3.28Å; K62-Y139 WeakPolarHBondContact O-CA 3.29Å; K62-Y139 WeakPolarHBondContact O-CD1 3.36Å; I63-Y139 HydrophobicContact CD1-CD1 4.13Å; I63-Y139 HydrophobicContact CD1-CD2 4.39Å; I63-Y139 HydrophobicContact CD1-CG 3.99Å; K100-Y139 WeakPolarHBondContact CE-OH 3.49Å; K100-Y139 HydrophobicContact CG-CE2 4.5Å; K100-Y139 PolarHBondContact NZ-OH 3.24Å; M102-Y139 HydrophobicContact CB-CD2 3.96Å; M102-Y139 HydrophobicContact CB-CE2 3.97Å; M102-Y139 HydrophobicContact SD-CD2 4.45Å; M127-Y139 WeakPolarHBondContact CE-O 3.37Å; Q137-Y139 HydrophobicContact CB-CE1 4.42Å; Q137-Y139 HydrophobicContact CG-CD1 4.26Å; Q137-Y139 HydrophobicContact CG-CE1 3.92Å; Y139-C151 PolarHBondContact N-O 3.26Å; Y139-M152 VanDerWaalsContact CE2-C 3.45Å; Y139-M152 WeakPolarHBondContact CE2-O 3.44Å; Y139-E153 HydrophobicContact CE2-CB 4.22Å; Y139-E153 WeakPolarHBondContact OH-CB 3.36Å
140	G	89	Confident	87.2	Confident	2 Å²	2	37.7 Å²	37.7	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	174.3	-176.7	0	0	0	0	0	112.6	I60 C151	I60-G140 WeakPolarHBondContact O-CA 3.4Å; G140-C151 PolarHBondContact N-O 3.06Å; G140-C151 WeakPolarHBondContact O-CB 3.03Å; G140-C151 PolarHBondContact O-N 2.95Å
141	A	89.5	Confident	88.5	Confident	6 Å²	6	34.6 Å²	34.6	5%	0.05	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.8	170.6	0	0	0	0	0	111.5	L120 L123 W149 I150	L120-A141 HydrophobicContact CD2-CB 3.8Å; L123-A141 HydrophobicContact CD1-CB 3.51Å; A141-W149 CarbonylContact C-O 3.6Å; A141-W149 WeakPolarHBondContact CA-O 3.34Å; A141-W149 WeakPolarHBondContact CB-O 3.31Å; A141-I150 HydrophobicContact CB-CG1 4.34Å
142	I	89.8	Confident	89.1	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.9	175.4	55	178.4	0	0	0	110.3	G59 F71 A73 W149	G59-I142 VanDerWaalsContact N-CG2 3.31Å; F71-I142 HydrophobicContact CD1-CG2 4.32Å; F71-I142 HydrophobicContact CD2-CD1 4.4Å; F71-I142 HydrophobicContact CD2-CG2 4.35Å; F71-I142 HydrophobicContact CE1-CG2 3.8Å; F71-I142 HydrophobicContact CE2-CD1 3.95Å; F71-I142 HydrophobicContact CE2-CG1 4.22Å; F71-I142 HydrophobicContact CE2-CG2 3.81Å; F71-I142 HydrophobicContact CZ-CG1 4.45Å; F71-I142 HydrophobicContact CZ-CG2 3.54Å; A73-I142 HydrophobicContact CB-CD1 3.63Å; I142-W149 HydrophobicContact CD1-CB 4.42Å; I142-W149 HydrophobicContact CG1-CB 3.75Å; I142-W149 HydrophobicContact CG1-CG 4.32Å; I142-W149 PolarHBondContact N-O 3.36Å; I142-W149 PolarHBondContact O-N 2.57Å
143	F	87.1	Confident	89.2	Confident	17 Å²	17	29 Å²	29	8%	0.075	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.2	166.8	-74.6	-85.1	0	0	0	109.3	Q116 L119 L120 D147 C148	Q116-F143 HydrophobicContact CB-CD1 4.47Å; Q116-F143 HydrophobicContact CB-CD2 3.89Å; Q116-F143 HydrophobicContact CB-CE1 4.17Å; Q116-F143 HydrophobicContact CB-CE2 3.54Å; Q116-F143 HydrophobicContact CB-CG 4.33Å; Q116-F143 HydrophobicContact CB-CZ 3.69Å; Q116-F143 HydrophobicContact CG-CD1 3.82Å; Q116-F143 HydrophobicContact CG-CD2 4.14Å; Q116-F143 HydrophobicContact CG-CE1 3.54Å; Q116-F143 HydrophobicContact CG-CE2 3.88Å; Q116-F143 HydrophobicContact CG-CG 4.1Å; Q116-F143 HydrophobicContact CG-CZ 3.57Å; L119-F143 HydrophobicContact CB-CZ 4.46Å; L119-F143 HydrophobicContact CD2-CE2 4.39Å; L119-F143 HydrophobicContact CD2-CZ 3.67Å; L120-F143 HydrophobicContact CD1-CD2 4.14Å; L120-F143 HydrophobicContact CD1-CE2 4.22Å; L120-F143 HydrophobicContact CD2-CD2 4.33Å; L120-F143 HydrophobicContact CD2-CE2 4.03Å; L120-F143 HydrophobicContact CG-CD2 4.27Å; L120-F143 HydrophobicContact CG-CE2 3.89Å; F143-D147 WeakPolarHBondContact CA-O 3.37Å; F143-C148 HydrophobicContact CD1-CB 3.98Å; F143-C148 HydrophobicContact CE1-CB 3.52Å; F143-C148 HydrophobicContact CZ-CB 4.09Å
144	R	85.5	Confident	89.3	Confident	71 Å²	71	27.7 Å²	27.7	27%	0.268	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	128.4	176.2	174.9	167.5	-178.6	154.9	5.6	110	D74 G146 D147	D74-R144 IonicContact OD1-CZ 3.27Å; D74-R144 IonicContact OD1-NH1 3.84Å; D74-R144 PolarHBondContact OD1-NH1 3.06Å; D74-R144 IonicContact OD1-NH2 3.73Å; D74-R144 PolarHBondContact OD1-NH2 2.89Å; R144-G146 PolarHBondContact O-N 3.21Å; R144-G146 VanDerWaalsContact O-N 3.11Å; R144-D147 PolarHBondContact N-O 3.03Å; R144-D147 PolarHBondContact O-N 3.34Å
145	E	82.5	Confident	89.4	Confident	156 Å²	156	25.3 Å²	25.3	73%	0.729	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	34.1	171.3	-64.8	164.4	-146.8	0	0	113.6	D147	E145-D147 VanDerWaalsContact C-N 3.29Å; E145-D147 PolarHBondContact O-N 2.88Å
146	G	81.2	Confident	89.5	Confident	32 Å²	32	27.3 Å²	27.3	33%	0.33	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-1.8	-177.5	0	0	0	0	0	114.7	S109 R144	S109-G146 WeakPolarHBondContact CA-O 3.44Å; S109-G146 VanDerWaalsContact CB-O 3.29Å; S109-G146 WeakPolarHBondContact CB-O 3.29Å; S109-G146 PolarHBondContact N-O 2.85Å; S109-G146 VanDerWaalsContact O-O 3.11Å; R144-G146 PolarHBondContact O-N 3.21Å; R144-G146 VanDerWaalsContact O-N 3.11Å
147	D	85.6	Confident	89.6	Confident	29 Å²	29	27.5 Å²	27.5	16%	0.155	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.5	173.3	-66.7	-18.4	0	0	0	111.2	R106 M107 H108 F143 R144 E145	R106-D147 IonicContact CZ-OD2 3.24Å; R106-D147 IonicContact NE-OD2 3.48Å; R106-D147 IonicContact NH2-OD2 3.95Å; R106-D147 PolarHBondContact NH2-OD2 3.1Å; R106-D147 VanDerWaalsContact NH2-OD2 3.08Å; M107-D147 CarbonylContact O-C 3.52Å; M107-D147 WeakPolarHBondContact O-CA 3.5Å; H108-D147 WeakPolarHBondContact CA-OD1 3.49Å; H108-D147 IonicContact CG-OD1 2.71Å; H108-D147 IonicContact ND1-OD1 3.31Å; H108-D147 PolarHBondContact ND1-OD1 3.43Å; F143-D147 WeakPolarHBondContact CA-O 3.37Å; R144-D147 PolarHBondContact N-O 3.03Å; R144-D147 PolarHBondContact O-N 3.34Å; E145-D147 VanDerWaalsContact C-N 3.29Å; E145-D147 PolarHBondContact O-N 2.88Å
148	C	86.8	Confident	90	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.1	163.7	-172.3	0	0	0	0	109	M107 F143 L228	M107-C148 PolarHBondContact N-O 2.94Å; M107-C148 PolarHBondContact O-N 3.16Å; F143-C148 HydrophobicContact CD1-CB 3.98Å; F143-C148 HydrophobicContact CE1-CB 3.52Å; F143-C148 HydrophobicContact CZ-CB 4.09Å; C148-L228 HydrophobicContact CB-CD2 3.93Å
149	W	90.9	Very high	90.4	Very high	23 Å²	23	25.1 Å²	25.1	9%	0.087	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.4	175.9	-64.5	33.6	0	0	0	108.1	A73 L76 M93 V104 K105 R106 A141 I142	A73-W149 HydrophobicContact CB-CD2 4.45Å; A73-W149 HydrophobicContact CB-CE3 3.97Å; A73-W149 HydrophobicContact CB-CH2 3.88Å; A73-W149 HydrophobicContact CB-CZ2 4.35Å; A73-W149 HydrophobicContact CB-CZ3 3.66Å; L76-W149 HydrophobicContact CD1-CE3 4.05Å; L76-W149 HydrophobicContact CD1-CZ3 4.28Å; M93-W149 HydrophobicContact CE-CE3 4.44Å; M93-W149 HydrophobicContact CE-CH2 4.37Å; M93-W149 HydrophobicContact CE-CZ3 3.86Å; M93-W149 HydrophobicContact SD-CE3 4.42Å; M93-W149 HydrophobicContact SD-CZ3 3.99Å; V104-W149 HydrophobicContact CG1-CB 4.05Å; V104-W149 HydrophobicContact CG1-CD2 4.36Å; V104-W149 HydrophobicContact CG1-CE3 3.85Å; V104-W149 HydrophobicContact CG1-CG 4.49Å; K105-W149 CarbonylContact O-C 3.54Å; K105-W149 WeakPolarHBondContact O-CA 3.48Å; R106-W149 HydrophobicContact CG-CD2 3.95Å; R106-W149 HydrophobicContact CG-CG 4.07Å; R106-W149 HydrophobicContact CG-CZ2 4.47Å; A141-W149 CarbonylContact C-O 3.6Å; A141-W149 WeakPolarHBondContact CA-O 3.34Å; A141-W149 WeakPolarHBondContact CB-O 3.31Å; I142-W149 HydrophobicContact CD1-CB 4.42Å; I142-W149 HydrophobicContact CG1-CB 3.75Å; I142-W149 HydrophobicContact CG1-CG 4.32Å; I142-W149 PolarHBondContact N-O 3.36Å; I142-W149 PolarHBondContact O-N 2.57Å
150	I	89.1	Confident	90.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.1	179.7	-54.1	-173.5	0	0	0	109	V104 K105 M107 F138 A141 M152	V104-I150 WeakPolarHBondContact CA-O 3.37Å; K105-I150 PolarHBondContact N-O 3.18Å; K105-I150 PolarHBondContact O-N 3.39Å; M107-I150 HydrophobicContact CE-CD1 3.26Å; M107-I150 HydrophobicContact CE-CG1 3.91Å; F138-I150 HydrophobicContact CD1-CG2 3.58Å; F138-I150 HydrophobicContact CE1-CG2 3.7Å; A141-I150 HydrophobicContact CB-CG1 4.34Å; I150-M152 HydrophobicContact CB-CE 4.02Å; I150-M152 HydrophobicContact CG2-CE 3.66Å
151	C	92	Very high	91	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.6	178	-60.7	0	0	0	0	109.9	L61 M102 Y139 G140	L61-C151 HydrophobicContact CD1-CB 3.79Å; M102-C151 HydrophobicContact SD-CB 3.7Å; Y139-C151 PolarHBondContact N-O 3.26Å; G140-C151 PolarHBondContact N-O 3.06Å; G140-C151 WeakPolarHBondContact O-CB 3.03Å; G140-C151 PolarHBondContact O-N 2.95Å
152	M	92.1	Very high	91.4	Very high	11 Å²	11	33.4 Å²	33.4	5%	0.054	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	166.2	-176.3	66.2	-169.8	71.3	0	0	111.8	M102 A103 K105 V136 Q137 F138 Y139 I150	M102-M152 VanDerWaalsContact CB-O 3.29Å; M102-M152 WeakPolarHBondContact CB-O 3.44Å; A103-M152 HydrophobicContact CB-CG 3.9Å; A103-M152 PolarHBondContact N-O 3.44Å; A103-M152 PolarHBondContact O-N 2.88Å; K105-M152 HydrophobicContact CB-CE 3.88Å; V136-M152 HydrophobicContact CG1-CB 3.86Å; V136-M152 HydrophobicContact CG1-CG 4.12Å; V136-M152 HydrophobicContact CG1-SD 4.18Å; Q137-M152 CarbonylContact O-C 3.56Å; Q137-M152 VanDerWaalsContact O-CA 3.26Å; Q137-M152 WeakPolarHBondContact O-CA 3.45Å; Q137-M152 WeakPolarHBondContact O-CB 3.26Å; F138-M152 HydrophobicContact CD1-CB 4.44Å; F138-M152 HydrophobicContact CE1-CE 4.14Å; Y139-M152 VanDerWaalsContact CE2-C 3.45Å; Y139-M152 WeakPolarHBondContact CE2-O 3.44Å; I150-M152 HydrophobicContact CB-CE 4.02Å; I150-M152 HydrophobicContact CG2-CE 3.66Å
153	E	92.7	Very high	91.7	Very high	23 Å²	23	33.7 Å²	33.7	11%	0.107	16%	0.163	C	C	.	.			trans	-57.4	143.3	175.6	67.6	176.9	141	0	0	112.5	V136 Q137 Y139 M155 K218	V136-E153 WeakPolarHBondContact CA-OE1 3.34Å; V136-E153 HydrophobicContact CB-CG 4.28Å; V136-E153 HydrophobicContact CG1-CG 3.57Å; Q137-E153 HydrophobicContact CB-CB 4.31Å; Q137-E153 HydrophobicContact CB-CG 4.21Å; Q137-E153 PolarHBondContact N-OE1 2.96Å; Q137-E153 PolarHBondContact O-N 3.22Å; Y139-E153 HydrophobicContact CE2-CB 4.22Å; Y139-E153 WeakPolarHBondContact OH-CB 3.36Å; E153-M155 HydrophobicContact CG-SD 4.37Å; E153-K218 WeakPolarHBondContact OE1-CD 3.41Å; E153-K218 WeakPolarHBondContact OE1-CE 3.14Å; E153-K218 IonicContact OE1-NZ 3.69Å; E153-K218 PolarHBondContact OE1-NZ 2.69Å; E153-K218 IonicContact OE2-NZ 3.06Å; E153-K218 PolarHBondContact OE2-NZ 3.07Å
154	L	96	Very high	92.1	Very high	56 Å²	56	36 Å²	36	29%	0.293	17%	0.172	S	C	.	.			trans	-87.4	123.8	178.3	-179.7	68	0	0	0	109.3	I82 K92 V101 A103	I82-L154 HydrophobicContact CD1-CD1 3.48Å; I82-L154 VanDerWaalsContact CD1-CD1 3.48Å; K92-L154 HydrophobicContact CD-CD2 3.95Å; K92-L154 HydrophobicContact CG-CD2 3.99Å; V101-L154 HydrophobicContact CG1-CD2 3.84Å; A103-L154 HydrophobicContact CB-CD1 4.07Å
155	M	96.2	Very high	92.6	Very high	18 Å²	18	33.5 Å²	33.5	9%	0.089	16%	0.164	C	C	.	.			trans	-106.4	159.6	172.1	-56.9	-65.1	-68.7	0	0	109.9	V136 E153 L210 D212 K218	V136-M155 HydrophobicContact CG2-CG 4.49Å; E153-M155 HydrophobicContact CG-SD 4.37Å; M155-L210 HydrophobicContact CB-CB 3.73Å; M155-L210 HydrophobicContact CB-CD1 3.96Å; M155-L210 HydrophobicContact CB-CG 4.44Å; M155-L210 HydrophobicContact CE-CB 4.25Å; M155-L210 HydrophobicContact CG-CB 3.66Å; M155-L210 HydrophobicContact CG-CD1 3.7Å; M155-L210 HydrophobicContact CG-CG 4.35Å; M155-D212 HydrophobicContact CE-CB 4.04Å; M155-K218 HydrophobicContact CE-CB 4.19Å; M155-K218 HydrophobicContact CE-CD 4.17Å; M155-K218 HydrophobicContact CE-CG 4.04Å; M155-K218 HydrophobicContact SD-CD 4.08Å
156	D	95.3	Very high	93.2	Very high	53 Å²	53	26 Å²	26	28%	0.283	13%	0.129	S	C	.	.	S	Bend	trans	-80.4	-38.8	-175.5	-70.9	-47.1	0	0	0	112.9	L211 D212 R213 F359	D156-L211 PolarHBondContact N-O 2.99Å; D156-L211 VanDerWaalsContact N-O 3.14Å; D156-D212 HydrophobicContact CB-CB 4.43Å; D156-R213 IonicContact OD1-CZ 3.27Å; D156-R213 IonicContact OD1-NE 2.81Å; D156-R213 PolarHBondContact OD1-NE 3.2Å; D156-R213 IonicContact OD1-NH2 2.73Å; D156-R213 PolarHBondContact OD1-NH2 3.33Å; D156-R213 WeakPolarHBondContact OD2-CB 3.42Å; D156-R213 VanDerWaalsContact OD2-CG 3.31Å; D156-R213 WeakPolarHBondContact OD2-CG 3.31Å; D156-R213 IonicContact OD2-CZ 2.69Å; D156-R213 PolarHBondContact OD2-N 3.23Å; D156-R213 IonicContact OD2-NE 3.15Å; D156-R213 PolarHBondContact OD2-NE 3.49Å; D156-R213 IonicContact OD2-NH2 3.64Å; D156-F359 HydrophobicContact CB-CE2 4.01Å; D156-F359 HydrophobicContact CB-CZ 4.06Å
157	I	94.7	Very high	93.9	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149.2	-173.3	-164.2	161.6	0	0	0	112.6	R161 L162 M165 L210 L211 V355 F359	I157-R161 HydrophobicContact CD1-CB 3.96Å; I157-R161 HydrophobicContact CG1-CB 3.68Å; I157-L162 HydrophobicContact CD1-CB 4.05Å; I157-L162 HydrophobicContact CD1-CD1 4.43Å; I157-L162 HydrophobicContact CG1-CB 4.31Å; I157-L162 HydrophobicContact CG2-CB 4.45Å; I157-M165 HydrophobicContact CD1-CE 3.92Å; I157-M165 HydrophobicContact CD1-SD 3.71Å; I157-L210 WeakPolarHBondContact O-CA 3.34Å; I157-L211 HydrophobicContact CG2-CB 4.11Å; I157-L211 PolarHBondContact N-O 2.79Å; I157-L211 PolarHBondContact O-N 3.42Å; I157-V355 HydrophobicContact CG2-CG1 4.19Å; I157-F359 HydrophobicContact CB-CE2 4.32Å; I157-F359 HydrophobicContact CB-CZ 3.95Å; I157-F359 HydrophobicContact CD1-CZ 4.14Å; I157-F359 HydrophobicContact CG2-CE2 4.31Å; I157-F359 HydrophobicContact CG2-CZ 4.44Å
158	S	95.6	Very high	94.3	Very high	16 Å²	16	32.1 Å²	32.1	11%	0.112	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	152.6	166.2	65.1	0	0	0	0	110.9	E160 R161 L162 I209	S158-E160 PolarHBondContact O-N 3.4Å; S158-R161 PolarHBondContact O-N 2.75Å; S158-R161 VanDerWaalsContact O-N 3.09Å; S158-R161 PolarHBondContact OG-N 3.39Å; S158-L162 PolarHBondContact O-N 3.18Å; S158-I209 CarbonylContact C-O 3.2Å; S158-I209 WeakPolarHBondContact CA-O 3.48Å
159	L	97.8	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-35.1	176	179.4	57.8	0	0	0	111	R161 L162 Y163 L174 I182 P206 I209 L211 T270 V274	L159-R161 PolarHBondContact O-N 2.84Å; L159-L162 HydrophobicContact CD1-CD2 4.32Å; L159-L162 PolarHBondContact O-N 3.22Å; L159-Y163 VanDerWaalsContact O-CD1 3.22Å; L159-Y163 WeakPolarHBondContact O-CD1 3.48Å; L159-Y163 PolarHBondContact O-N 2.97Å; L159-L174 HydrophobicContact CD1-CD2 3.98Å; L159-I182 HydrophobicContact CD1-CD1 3.57Å; L159-I182 HydrophobicContact CD2-CD1 4.17Å; L159-I182 HydrophobicContact CD2-CG2 3.84Å; L159-I182 HydrophobicContact CG-CD1 4.5Å; L159-P206 HydrophobicContact CB-CB 4.37Å; L159-P206 WeakPolarHBondContact CB-O 3.44Å; L159-P206 HydrophobicContact CG-CB 4.36Å; L159-P206 PolarHBondContact N-O 3.46Å; L159-I209 HydrophobicContact CB-CB 4Å; L159-I209 HydrophobicContact CB-CG2 4.19Å; L159-I209 HydrophobicContact CD2-CB 4.23Å; L159-I209 HydrophobicContact CD2-CD1 3.98Å; L159-I209 HydrophobicContact CD2-CG2 4.2Å; L159-I209 PolarHBondContact N-O 3.17Å; L159-L211 HydrophobicContact CB-CD1 3.94Å; L159-L211 HydrophobicContact CD1-CD1 4.37Å; L159-T270 HydrophobicContact CD2-CG2 4.42Å; L159-V274 HydrophobicContact CD1-CG1 4.09Å; L159-V274 HydrophobicContact CD1-CG2 4.27Å; L159-V274 HydrophobicContact CD2-CG1 4.5Å; L159-V274 HydrophobicContact CD2-CG2 3.78Å; L159-V274 HydrophobicContact CG-CG1 4.47Å; L159-V274 HydrophobicContact CG-CG2 3.78Å
160	E	95.8	Very high	94.7	Very high	58 Å²	58	38 Å²	38	27%	0.271	18%	0.175	S	C	.	.	H	α-helix	trans	-53.7	-53.2	172.8	-171.2	-176.5	-160.1	0	0	112.3	S158 L162 Y163 K164 P206 S207	S158-E160 PolarHBondContact O-N 3.4Å; E160-L162 VanDerWaalsContact C-N 3.34Å; E160-Y163 HydrophobicContact CB-CE1 4.42Å; E160-Y163 HydrophobicContact CG-CE1 4.17Å; E160-Y163 WeakPolarHBondContact O-CD1 3.37Å; E160-K164 HydrophobicContact CG-CD 4.15Å; E160-K164 WeakPolarHBondContact O-CB 3.23Å; E160-K164 VanDerWaalsContact O-CG 3.27Å; E160-K164 WeakPolarHBondContact O-CG 3.35Å; E160-K164 PolarHBondContact O-N 3.45Å; E160-K164 IonicContact OE1-NZ 2.81Å; E160-K164 PolarHBondContact OE1-NZ 3.16Å; E160-P206 HydrophobicContact CB-CB 3.83Å; E160-P206 PolarHBondContact N-O 3.04Å; E160-P206 VanDerWaalsContact N-O 3.1Å; E160-S207 WeakPolarHBondContact OE2-CB 3.33Å
161	R	94.9	Very high	94.9	Very high	128 Å²	128	45 Å²	45	48%	0.483	21%	0.212	S	C	.	.	H	α-helix	trans	-67.3	-38.8	-179.8	-72.1	-180	66.1	-173.8	-0.2	111.1	I157 S158 L159 M165	I157-R161 HydrophobicContact CD1-CB 3.96Å; I157-R161 HydrophobicContact CG1-CB 3.68Å; S158-R161 PolarHBondContact O-N 2.75Å; S158-R161 VanDerWaalsContact O-N 3.09Å; S158-R161 PolarHBondContact OG-N 3.39Å; L159-R161 PolarHBondContact O-N 2.84Å; R161-M165 WeakPolarHBondContact O-CB 3.3Å; R161-M165 WeakPolarHBondContact O-CG 3.33Å; R161-M165 PolarHBondContact O-N 3.36Å
162	L	96.8	Very high	95	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-54.3	-179.6	179.4	64.2	0	0	0	111.5	I157 S158 L159 E160 K164 M165 V166 L174 L211 V355 V358	I157-L162 HydrophobicContact CD1-CB 4.05Å; I157-L162 HydrophobicContact CD1-CD1 4.43Å; I157-L162 HydrophobicContact CG1-CB 4.31Å; I157-L162 HydrophobicContact CG2-CB 4.45Å; S158-L162 PolarHBondContact O-N 3.18Å; L159-L162 HydrophobicContact CD1-CD2 4.32Å; L159-L162 PolarHBondContact O-N 3.22Å; E160-L162 VanDerWaalsContact C-N 3.34Å; L162-K164 VanDerWaalsContact C-N 3.35Å; L162-K164 PolarHBondContact O-N 3.06Å; L162-M165 PolarHBondContact O-N 2.8Å; L162-V166 HydrophobicContact CD1-CG2 4.46Å; L162-V166 VanDerWaalsContact O-CG2 3.31Å; L162-V166 WeakPolarHBondContact O-CG2 3.48Å; L162-V166 PolarHBondContact O-N 3.41Å; L162-L174 HydrophobicContact CD2-CD1 4.28Å; L162-L174 HydrophobicContact CG-CD1 4.4Å; L162-L211 HydrophobicContact CD2-CD1 4.2Å; L162-L211 HydrophobicContact CD2-CD2 3.96Å; L162-V355 HydrophobicContact CD2-CG2 4.41Å; L162-V358 HydrophobicContact CD1-CB 4.15Å; L162-V358 HydrophobicContact CD1-CG1 4Å; L162-V358 HydrophobicContact CD1-CG2 4.08Å
163	Y	97.2	Very high	95.1	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.035	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-39.5	-176.9	89.3	-105.9	0	0	0	110.8	L159 E160 M165 V166 F167 P206 E273 V274	L159-Y163 VanDerWaalsContact O-CD1 3.22Å; L159-Y163 WeakPolarHBondContact O-CD1 3.48Å; L159-Y163 PolarHBondContact O-N 2.97Å; E160-Y163 HydrophobicContact CB-CE1 4.42Å; E160-Y163 HydrophobicContact CG-CE1 4.17Å; E160-Y163 WeakPolarHBondContact O-CD1 3.37Å; Y163-M165 VanDerWaalsContact C-N 3.33Å; Y163-M165 PolarHBondContact O-N 3.44Å; Y163-V166 PolarHBondContact O-N 2.84Å; Y163-F167 HydrophobicContact CD2-CD2 4.26Å; Y163-F167 WeakPolarHBondContact O-CD2 3.3Å; Y163-F167 PolarHBondContact O-N 3.45Å; Y163-P206 HydrophobicContact CD1-CB 4.34Å; Y163-P206 HydrophobicContact CE1-CB 4.03Å; Y163-P206 HydrophobicContact CE1-CG 4.22Å; Y163-E273 HydrophobicContact CE1-CG 4.17Å; Y163-E273 WeakPolarHBondContact CE1-OE1 3.08Å; Y163-E273 HydrophobicContact CE2-CG 4.44Å; Y163-E273 VanDerWaalsContact CZ-OE1 3.25Å; Y163-E273 PolarHBondContact OH-OE1 2.87Å; Y163-V274 HydrophobicContact CD1-CG2 3.68Å; Y163-V274 HydrophobicContact CE1-CG2 4.28Å; Y163-V274 HydrophobicContact CG-CG2 4.16Å
164	K	95.8	Very high	95.3	Very high	65 Å²	65	54.8 Å²	54.8	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-43.7	175.8	-72.9	177.5	-180	174	0	111.5	E160 L162 V166 F167 E168	E160-K164 HydrophobicContact CG-CD 4.15Å; E160-K164 WeakPolarHBondContact O-CB 3.23Å; E160-K164 VanDerWaalsContact O-CG 3.27Å; E160-K164 WeakPolarHBondContact O-CG 3.35Å; E160-K164 PolarHBondContact O-N 3.45Å; E160-K164 IonicContact OE1-NZ 2.81Å; E160-K164 PolarHBondContact OE1-NZ 3.16Å; L162-K164 VanDerWaalsContact C-N 3.35Å; L162-K164 PolarHBondContact O-N 3.06Å; K164-V166 PolarHBondContact O-N 3.38Å; K164-F167 PolarHBondContact O-N 2.91Å; K164-E168 WeakPolarHBondContact O-CA 3.29Å; K164-E168 WeakPolarHBondContact O-CB 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.42Å; K164-E168 PolarHBondContact O-N 2.82Å
165	M	94.8	Very high	95.4	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.089	25%	0.253	C	S	.	.	I	π-helix	trans	-60.6	-44	174.7	-75.6	167.2	35.1	0	0	112.4	I157 R161 L162 Y163 K169 M170 V358 L362	I157-M165 HydrophobicContact CD1-CE 3.92Å; I157-M165 HydrophobicContact CD1-SD 3.71Å; R161-M165 WeakPolarHBondContact O-CB 3.3Å; R161-M165 WeakPolarHBondContact O-CG 3.33Å; R161-M165 PolarHBondContact O-N 3.36Å; L162-M165 PolarHBondContact O-N 2.8Å; Y163-M165 VanDerWaalsContact C-N 3.33Å; Y163-M165 PolarHBondContact O-N 3.44Å; M165-K169 HydrophobicContact CG-CD 4.45Å; M165-K169 WeakPolarHBondContact O-CA 3.43Å; M165-K169 VanDerWaalsContact O-CB 3.31Å; M165-K169 WeakPolarHBondContact O-CB 3.42Å; M165-K169 PolarHBondContact O-N 3.2Å; M165-M170 PolarHBondContact O-N 3.39Å; M165-M170 VanDerWaalsContact O-N 3.11Å; M165-V358 HydrophobicContact CB-CG1 4.31Å; M165-V358 HydrophobicContact CE-CG1 3.5Å; M165-L362 HydrophobicContact CE-CD1 3.16Å; M165-L362 HydrophobicContact CE-CD2 4.22Å; M165-L362 HydrophobicContact CE-CG 3.79Å; M165-L362 HydrophobicContact CG-CD1 4.47Å; M165-L362 HydrophobicContact CG-CD2 4.46Å; M165-L362 HydrophobicContact SD-CD1 3.8Å
166	V	96.3	Very high	95.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-64	-46.3	179.7	172.1	0	0	0	0	111.5	L162 Y163 K164 M170 N171 E172 L174 Y354 V358	L162-V166 HydrophobicContact CD1-CG2 4.46Å; L162-V166 VanDerWaalsContact O-CG2 3.31Å; L162-V166 WeakPolarHBondContact O-CG2 3.48Å; L162-V166 PolarHBondContact O-N 3.41Å; Y163-V166 PolarHBondContact O-N 2.84Å; K164-V166 PolarHBondContact O-N 3.38Å; V166-M170 CarbonylContact O-C 3.59Å; V166-M170 WeakPolarHBondContact O-CB 3.2Å; V166-N171 PolarHBondContact O-N 3.27Å; V166-E172 CarbonylContact C-O 3.55Å; V166-E172 HydrophobicContact CG1-CB 3.95Å; V166-E172 PolarHBondContact O-N 3.06Å; V166-L174 HydrophobicContact CG2-CD1 4.41Å; V166-Y354 VanDerWaalsContact CG2-OH 3.29Å; V166-Y354 WeakPolarHBondContact CG2-OH 3.4Å; V166-V358 HydrophobicContact CG2-CG1 4.22Å; V166-V358 HydrophobicContact CG2-CG2 3.99Å
167	F	96.1	Very high	95.6	Very high	43 Å²	43	53.9 Å²	53.9	19%	0.189	25%	0.252	C	S	.	.	I	π-helix	trans	-76.3	-47.5	-179.2	-83.1	-93.4	0	0	0	113.3	Y163 K164 N171 E172 R173 V274 T276 G277	Y163-F167 HydrophobicContact CD2-CD2 4.26Å; Y163-F167 WeakPolarHBondContact O-CD2 3.3Å; Y163-F167 PolarHBondContact O-N 3.45Å; K164-F167 PolarHBondContact O-N 2.91Å; F167-N171 WeakPolarHBondContact O-CA 3.25Å; F167-N171 PolarHBondContact O-N 2.94Å; F167-E172 WeakPolarHBondContact CA-O 3.26Å; F167-R173 HydrophobicContact CE1-CB 4.49Å; F167-R173 HydrophobicContact CE1-CG 3.84Å; F167-R173 HydrophobicContact CZ-CB 4.08Å; F167-R173 HydrophobicContact CZ-CG 3.86Å; F167-V274 WeakPolarHBondContact CE2-O 3.39Å; F167-T276 VanDerWaalsContact CE1-C 3.46Å; F167-T276 VanDerWaalsContact CE1-O 3.3Å; F167-T276 WeakPolarHBondContact CE1-O 3.48Å; F167-T276 VanDerWaalsContact CZ-C 3.47Å; F167-G277 VanDerWaalsContact CZ-N 3.26Å
168	E	94.4	Very high	95.8	Very high	145 Å²	145	53.9 Å²	53.9	68%	0.678	25%	0.252	S	S	*	.	I	π-helix	trans	-86.1	-36.8	-170.4	-59	172.9	-176.8	0	0	113	K164	K164-E168 WeakPolarHBondContact O-CA 3.29Å; K164-E168 WeakPolarHBondContact O-CB 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.42Å; K164-E168 PolarHBondContact O-N 2.82Å
169	K	91.7	Very high	95.9	Very high	103 Å²	103	53.1 Å²	53.1	45%	0.448	25%	0.247	S	C	.	.	I	π-helix	trans	-99.3	-37.3	-175.7	-62.9	-170.4	167.4	-156.6	0	113.3	M165 L362 D366	M165-K169 HydrophobicContact CG-CD 4.45Å; M165-K169 WeakPolarHBondContact O-CA 3.43Å; M165-K169 VanDerWaalsContact O-CB 3.31Å; M165-K169 WeakPolarHBondContact O-CB 3.42Å; M165-K169 PolarHBondContact O-N 3.2Å; K169-L362 HydrophobicContact CB-CD2 4.18Å; K169-L362 HydrophobicContact CD-CD2 3.29Å; K169-L362 HydrophobicContact CG-CD2 4.38Å; K169-D366 IonicContact NZ-OD1 3.26Å
170	M	92.5	Very high	96	Very high	43 Å²	43	53.1 Å²	53.1	21%	0.212	25%	0.247	C	C	.	.	S	Bend	trans	-95.6	-13.2	-179.8	-60.3	176.5	62.7	0	0	113.3	M165 V166 E172 V358	M165-M170 PolarHBondContact O-N 3.39Å; M165-M170 VanDerWaalsContact O-N 3.11Å; V166-M170 CarbonylContact O-C 3.59Å; V166-M170 WeakPolarHBondContact O-CB 3.2Å; M170-E172 HydrophobicContact CB-CB 4.37Å; M170-E172 HydrophobicContact CB-CG 4.36Å; M170-E172 PolarHBondContact O-N 3.48Å; M170-V358 HydrophobicContact SD-CB 4.33Å; M170-V358 HydrophobicContact SD-CG1 3.88Å; M170-V358 HydrophobicContact SD-CG2 4.2Å
171	N	93.7	Very high	96.1	Very high	150 Å²	150	52.3 Å²	52.3	80%	0.802	24%	0.243	S	C	*	.			trans	54.2	38.4	-174.2	-168.3	47.7	0	0	0	112.5	V166 F167	V166-N171 PolarHBondContact O-N 3.27Å; F167-N171 WeakPolarHBondContact O-CA 3.25Å; F167-N171 PolarHBondContact O-N 2.94Å
172	E	94.6	Very high	96.3	Very high	103 Å²	103	46.2 Å²	46.2	48%	0.481	22%	0.22	S	C	.	.			trans	-118.6	175.3	178.7	-73.1	-174.8	-171.6	0	0	110.9	V166 F167 M170	V166-E172 CarbonylContact C-O 3.55Å; V166-E172 HydrophobicContact CG1-CB 3.95Å; V166-E172 PolarHBondContact O-N 3.06Å; F167-E172 WeakPolarHBondContact CA-O 3.26Å; M170-E172 HydrophobicContact CB-CB 4.37Å; M170-E172 HydrophobicContact CB-CG 4.36Å; M170-E172 PolarHBondContact O-N 3.48Å
173	R	94.7	Very high	96.4	Very high	133 Å²	133	46.2 Å²	46.2	50%	0.502	22%	0.22	S	C	.	.			trans	-108.9	147.9	171.5	-68.6	-175.6	-72.4	-95.6	-1.7	109.7	F167 P175 F309	F167-R173 HydrophobicContact CE1-CB 4.49Å; F167-R173 HydrophobicContact CE1-CG 3.84Å; F167-R173 HydrophobicContact CZ-CB 4.08Å; F167-R173 HydrophobicContact CZ-CG 3.86Å; R173-P175 WeakPolarHBondContact O-CD 3.17Å; R173-F309 VanDerWaalsContact CD-CE2 3.48Å
174	L	96.3	Very high	96.4	Very high	3 Å²	3	46 Å²	46	2%	0.016	22%	0.22	C	C	.	.			trans	-62.9	125	170.6	-166.2	70	0	0	0	109.2	L159 L162 V166 V178 M179 I182 V274 Y354	L159-L174 HydrophobicContact CD1-CD2 3.98Å; L162-L174 HydrophobicContact CD2-CD1 4.28Å; L162-L174 HydrophobicContact CG-CD1 4.4Å; V166-L174 HydrophobicContact CG2-CD1 4.41Å; L174-V178 HydrophobicContact CD1-CG1 4.2Å; L174-V178 HydrophobicContact CD2-CG1 4.49Å; L174-V178 HydrophobicContact CG-CG1 4.42Å; L174-M179 HydrophobicContact CB-CG 4.48Å; L174-M179 HydrophobicContact CD2-CG 3.64Å; L174-M179 HydrophobicContact CD2-SD 4.46Å; L174-M179 HydrophobicContact CG-CG 4.11Å; L174-M179 WeakPolarHBondContact O-CE 3.47Å; L174-I182 HydrophobicContact CD2-CD1 4.11Å; L174-V274 HydrophobicContact CB-CG1 4.37Å; L174-V274 HydrophobicContact CD2-CG1 3.24Å; L174-V274 HydrophobicContact CG-CG1 4.41Å; L174-Y354 HydrophobicContact CD1-CE1 3.46Å; L174-Y354 VanDerWaalsContact CD1-CE1 3.46Å
175	P	97.2	Very high	96.6	Very high	47 Å²	47	43.1 Å²	43.1	31%	0.305	21%	0.208	S	C	.	.			trans	-63.3	138.4	-177.6	-24.5	34.1	0	0	0	112.3	R173 P177 V178 M179 Y354	R173-P175 WeakPolarHBondContact O-CD 3.17Å; P175-P177 VanDerWaalsContact C-CD 3.45Å; P175-P177 VanDerWaalsContact C-N 3.28Å; P175-V178 HydrophobicContact CB-CG2 4.26Å; P175-V178 HydrophobicContact CG-CG2 4.41Å; P175-V178 WeakPolarHBondContact O-CB 3.4Å; P175-V178 PolarHBondContact O-N 3.33Å; P175-M179 PolarHBondContact O-N 3.28Å; P175-M179 VanDerWaalsContact O-N 3.13Å; P175-Y354 VanDerWaalsContact CD-CZ 3.46Å; P175-Y354 VanDerWaalsContact CD-OH 3.28Å; P175-Y354 WeakPolarHBondContact CD-OH 3.35Å; P175-Y354 HydrophobicContact CG-CD2 4.38Å; P175-Y354 HydrophobicContact CG-CE2 3.75Å
176	E	98.3	Very high	96.7	Very high	20 Å²	20	42.4 Å²	42.4	9%	0.093	20%	0.204	C	C	.	.	H	α-helix	trans	-52.9	-39.3	176	-173.9	-180	130.5	0	0	113.1	V178 M179 G180 F310 S311 F314 F340 Y344	E176-V178 VanDerWaalsContact C-N 3.28Å; E176-V178 PolarHBondContact O-N 3.25Å; E176-M179 HydrophobicContact CB-CE 4.37Å; E176-M179 CarbonylContact O-C 3.6Å; E176-M179 PolarHBondContact O-N 2.82Å; E176-M179 VanDerWaalsContact O-N 3.14Å; E176-G180 PolarHBondContact O-N 3.06Å; E176-F310 HydrophobicContact CB-CD1 4.27Å; E176-F310 WeakPolarHBondContact OE2-CA 3.48Å; E176-F310 WeakPolarHBondContact OE2-CD1 3.48Å; E176-S311 WeakPolarHBondContact OE1-CB 3.41Å; E176-S311 PolarHBondContact OE1-OG 3.06Å; E176-S311 PolarHBondContact OE2-N 3.25Å; E176-F314 HydrophobicContact CG-CB 4.29Å; E176-F314 HydrophobicContact CG-CG 4.33Å; E176-F340 HydrophobicContact CG-CE2 4.11Å; E176-Y344 HydrophobicContact CG-CE2 4.46Å
177	P	98.3	Very high	96.8	Very high	42 Å²	42	42.4 Å²	42.4	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-59	-36.3	175.9	-26.6	36	0	0	0	115.1	P175 G180 K181 Y344 V349	P175-P177 VanDerWaalsContact C-CD 3.45Å; P175-P177 VanDerWaalsContact C-N 3.28Å; P177-G180 PolarHBondContact O-N 3.12Å; P177-K181 PolarHBondContact O-N 2.6Å; P177-K181 VanDerWaalsContact O-N 3.14Å; P177-Y344 HydrophobicContact CB-CE1 3.76Å; P177-Y344 HydrophobicContact CG-CE1 4.24Å; P177-V349 HydrophobicContact CB-CB 4.48Å; P177-V349 HydrophobicContact CB-CG1 3.86Å; P177-V349 HydrophobicContact CB-CG2 3.74Å
178	V	98.3	Very high	96.9	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-44.4	175.7	179.4	0	0	0	0	109.7	L174 P175 E176 G180 K181 I182 V349 V351 Y354	L174-V178 HydrophobicContact CD1-CG1 4.2Å; L174-V178 HydrophobicContact CD2-CG1 4.49Å; L174-V178 HydrophobicContact CG-CG1 4.42Å; P175-V178 HydrophobicContact CB-CG2 4.26Å; P175-V178 HydrophobicContact CG-CG2 4.41Å; P175-V178 WeakPolarHBondContact O-CB 3.4Å; P175-V178 PolarHBondContact O-N 3.33Å; E176-V178 VanDerWaalsContact C-N 3.28Å; E176-V178 PolarHBondContact O-N 3.25Å; V178-G180 VanDerWaalsContact C-N 3.28Å; V178-G180 PolarHBondContact O-N 2.79Å; V178-K181 PolarHBondContact O-N 3.38Å; V178-I182 HydrophobicContact CG1-CD1 3.98Å; V178-I182 WeakPolarHBondContact O-CG1 3.36Å; V178-I182 PolarHBondContact O-N 3.47Å; V178-V349 HydrophobicContact CG2-CG1 4.49Å; V178-V351 HydrophobicContact CG1-CG1 4.49Å; V178-Y354 HydrophobicContact CG1-CD1 4.14Å; V178-Y354 HydrophobicContact CG1-CE1 4.4Å; V178-Y354 HydrophobicContact CG2-CD1 3.77Å; V178-Y354 HydrophobicContact CG2-CD2 4.48Å; V178-Y354 HydrophobicContact CG2-CE1 4.25Å; V178-Y354 HydrophobicContact CG2-CG 3.9Å
179	M	98.5	Very high	97	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-35.8	173.9	-69.6	-168.4	-70.4	0	0	112.9	L174 P175 E176 I182 A183 V274 A275 F310 F314	L174-M179 HydrophobicContact CB-CG 4.48Å; L174-M179 HydrophobicContact CD2-CG 3.64Å; L174-M179 HydrophobicContact CD2-SD 4.46Å; L174-M179 HydrophobicContact CG-CG 4.11Å; L174-M179 WeakPolarHBondContact O-CE 3.47Å; P175-M179 PolarHBondContact O-N 3.28Å; P175-M179 VanDerWaalsContact O-N 3.13Å; E176-M179 HydrophobicContact CB-CE 4.37Å; E176-M179 CarbonylContact O-C 3.6Å; E176-M179 PolarHBondContact O-N 2.82Å; E176-M179 VanDerWaalsContact O-N 3.14Å; M179-I182 WeakPolarHBondContact O-CB 3.41Å; M179-I182 PolarHBondContact O-N 3.1Å; M179-A183 WeakPolarHBondContact O-CB 3.4Å; M179-A183 PolarHBondContact O-N 2.81Å; M179-V274 HydrophobicContact CG-CG1 4.11Å; M179-V274 HydrophobicContact SD-CG1 3.91Å; M179-A275 HydrophobicContact CE-CB 4.11Å; M179-A275 HydrophobicContact SD-CB 3.84Å; M179-F310 HydrophobicContact CE-CD1 4.24Å; M179-F310 HydrophobicContact CE-CE1 3.37Å; M179-F310 HydrophobicContact CE-CZ 3.82Å; M179-F314 HydrophobicContact CB-CE2 4.49Å; M179-F314 HydrophobicContact CE-CE1 4.21Å; M179-F314 HydrophobicContact CE-CZ 4Å; M179-F314 HydrophobicContact SD-CZ 4.02Å
180	G	98.7	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-48.1	174	0	0	0	0	0	112.3	E176 P177 V178 I182 A183 V184 F340 Y344	E176-G180 PolarHBondContact O-N 3.06Å; P177-G180 PolarHBondContact O-N 3.12Å; V178-G180 VanDerWaalsContact C-N 3.28Å; V178-G180 PolarHBondContact O-N 2.79Å; G180-I182 VanDerWaalsContact C-N 3.32Å; G180-I182 PolarHBondContact O-N 3.31Å; G180-A183 PolarHBondContact O-N 2.81Å; G180-V184 VanDerWaalsContact O-CG2 3.25Å; G180-V184 WeakPolarHBondContact O-CG2 3.23Å; G180-V184 PolarHBondContact O-N 2.91Å; G180-F340 VanDerWaalsContact CA-CZ 3.44Å; G180-Y344 VanDerWaalsContact CA-CD2 3.47Å
181	K	98.7	Very high	97.3	Very high	42 Å²	42	30.5 Å²	30.5	18%	0.183	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-38.9	173.8	-69	-63	-173.1	-176.7	0	112.5	P177 V178 V184 A185 I217 Y344 E347 V349 V351	P177-K181 PolarHBondContact O-N 2.6Å; P177-K181 VanDerWaalsContact O-N 3.14Å; V178-K181 PolarHBondContact O-N 3.38Å; K181-V184 PolarHBondContact O-N 2.89Å; K181-A185 WeakPolarHBondContact O-CB 3.39Å; K181-A185 PolarHBondContact O-N 3.32Å; K181-I217 HydrophobicContact CB-CD1 3.7Å; K181-Y344 WeakPolarHBondContact CD-O 3.44Å; K181-Y344 VanDerWaalsContact CE-O 3.27Å; K181-Y344 WeakPolarHBondContact CE-O 3.25Å; K181-Y344 PolarHBondContact NZ-O 3.12Å; K181-E347 WeakPolarHBondContact CE-O 3.22Å; K181-E347 PolarHBondContact NZ-O 2.66Å; K181-V349 HydrophobicContact CD-CB 4.39Å; K181-V349 HydrophobicContact CG-CB 3.81Å; K181-V349 HydrophobicContact CG-CG1 4.24Å; K181-V349 HydrophobicContact CG-CG2 4.19Å; K181-V351 HydrophobicContact CB-CG2 3.79Å; K181-V351 HydrophobicContact CG-CG2 3.81Å
182	I	98.7	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-46.8	175.1	-71.2	161	0	0	0	111.3	L159 L174 V178 M179 G180 A185 T186 I209 L211 I217	L159-I182 HydrophobicContact CD1-CD1 3.57Å; L159-I182 HydrophobicContact CD2-CD1 4.17Å; L159-I182 HydrophobicContact CD2-CG2 3.84Å; L159-I182 HydrophobicContact CG-CD1 4.5Å; L174-I182 HydrophobicContact CD2-CD1 4.11Å; V178-I182 HydrophobicContact CG1-CD1 3.98Å; V178-I182 WeakPolarHBondContact O-CG1 3.36Å; V178-I182 PolarHBondContact O-N 3.47Å; M179-I182 WeakPolarHBondContact O-CB 3.41Å; M179-I182 PolarHBondContact O-N 3.1Å; G180-I182 VanDerWaalsContact C-N 3.32Å; G180-I182 PolarHBondContact O-N 3.31Å; I182-A185 PolarHBondContact O-N 3.34Å; I182-T186 VanDerWaalsContact O-CB 3.31Å; I182-T186 WeakPolarHBondContact O-CB 3.44Å; I182-T186 PolarHBondContact O-N 2.98Å; I182-T186 PolarHBondContact O-OG1 3.36Å; I182-I209 HydrophobicContact CG2-CD1 4.32Å; I182-I209 HydrophobicContact CG2-CG2 4.19Å; I182-L211 HydrophobicContact CD1-CD2 4.31Å; I182-L211 HydrophobicContact CG1-CD2 4.3Å; I182-I217 HydrophobicContact CG1-CD1 3.97Å; I182-I217 HydrophobicContact CG1-CG2 4.3Å
183	A	98.8	Very high	97	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-45.6	177.5	0	0	0	0	0	111.4	M179 G180 A185 T186 V187 L271 F317 F340 I341	M179-A183 WeakPolarHBondContact O-CB 3.4Å; M179-A183 PolarHBondContact O-N 2.81Å; G180-A183 PolarHBondContact O-N 2.81Å; A183-A185 PolarHBondContact O-N 2.96Å; A183-T186 PolarHBondContact O-N 2.96Å; A183-V187 WeakPolarHBondContact O-CB 3.4Å; A183-V187 VanDerWaalsContact O-CG2 3.27Å; A183-V187 WeakPolarHBondContact O-CG2 3.3Å; A183-V187 PolarHBondContact O-N 2.83Å; A183-L271 HydrophobicContact CB-CD1 4.37Å; A183-F317 HydrophobicContact CB-CE1 4.02Å; A183-F317 HydrophobicContact CB-CZ 4.39Å; A183-F340 HydrophobicContact CB-CD1 4.41Å; A183-F340 HydrophobicContact CB-CE1 3.8Å; A183-I341 HydrophobicContact CB-CD1 3.89Å
184	V	98.7	Very high	96.8	Very high	6 Å²	6	16.8 Å²	16.8	4%	0.036	9%	0.086	C	C	.	.	H	α-helix	trans	-56	-53.5	175.9	172.7	0	0	0	0	111.1	G180 K181 T186 K188 I341	G180-V184 VanDerWaalsContact O-CG2 3.25Å; G180-V184 WeakPolarHBondContact O-CG2 3.23Å; G180-V184 PolarHBondContact O-N 2.91Å; K181-V184 PolarHBondContact O-N 2.89Å; V184-T186 PolarHBondContact O-N 3.32Å; V184-K188 HydrophobicContact CG1-CD 4.14Å; V184-K188 WeakPolarHBondContact O-CB 3.36Å; V184-K188 WeakPolarHBondContact O-CG 3.5Å; V184-K188 PolarHBondContact O-N 3.27Å; V184-I341 HydrophobicContact CG2-CD1 4.01Å; V184-I341 HydrophobicContact CG2-CG2 4.16Å
185	A	98.4	Very high	96.6	Very high	4 Å²	4	21.2 Å²	21.2	3%	0.033	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-46.3	-179.4	0	0	0	0	0	111.5	Y134 K181 I182 A183 K188 A189 I217	Y134-A185 WeakPolarHBondContact CB-O 3.47Å; Y134-A185 HydrophobicContact CD1-CB 3.51Å; Y134-A185 HydrophobicContact CE1-CB 4.08Å; Y134-A185 HydrophobicContact CG-CB 4.21Å; K181-A185 WeakPolarHBondContact O-CB 3.39Å; K181-A185 PolarHBondContact O-N 3.32Å; I182-A185 PolarHBondContact O-N 3.34Å; A183-A185 PolarHBondContact O-N 2.96Å; A185-K188 PolarHBondContact O-N 2.92Å; A185-A189 WeakPolarHBondContact O-CB 3.34Å; A185-A189 PolarHBondContact O-N 3.47Å; A185-I217 HydrophobicContact CB-CB 3.69Å; A185-I217 HydrophobicContact CB-CG2 3.65Å
186	T	98.4	Very high	96.2	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-66.9	-45.5	-176.4	-52.6	0	0	0	0	111.9	I182 A183 V184 K188 A189 L190 V204 I209 L219 L267	I182-T186 VanDerWaalsContact O-CB 3.31Å; I182-T186 WeakPolarHBondContact O-CB 3.44Å; I182-T186 PolarHBondContact O-N 2.98Å; I182-T186 PolarHBondContact O-OG1 3.36Å; A183-T186 PolarHBondContact O-N 2.96Å; V184-T186 PolarHBondContact O-N 3.32Å; T186-K188 PolarHBondContact O-N 2.76Å; T186-A189 PolarHBondContact O-N 3.29Å; T186-L190 HydrophobicContact CG2-CD1 4.05Å; T186-L190 HydrophobicContact CG2-CG 4.43Å; T186-L190 WeakPolarHBondContact O-CB 3.47Å; T186-L190 VanDerWaalsContact O-CG 3.26Å; T186-L190 WeakPolarHBondContact O-CG 3.25Å; T186-L190 PolarHBondContact O-N 2.95Å; T186-V204 HydrophobicContact CG2-CG1 4.32Å; T186-I209 HydrophobicContact CG2-CD1 4.24Å; T186-L219 HydrophobicContact CG2-CD1 4.41Å; T186-L267 HydrophobicContact CG2-CD1 3.93Å
187	V	98.5	Very high	95.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-40.2	178	177.8	0	0	0	0	110.9	A183 L190 N191 L267 F317 L335 L336 I341	A183-V187 WeakPolarHBondContact O-CB 3.4Å; A183-V187 VanDerWaalsContact O-CG2 3.27Å; A183-V187 WeakPolarHBondContact O-CG2 3.3Å; A183-V187 PolarHBondContact O-N 2.83Å; V187-L190 PolarHBondContact O-N 3.42Å; V187-N191 VanDerWaalsContact O-CB 3.28Å; V187-N191 WeakPolarHBondContact O-CB 3.48Å; V187-N191 PolarHBondContact O-N 2.98Å; V187-L267 HydrophobicContact CG2-CD2 3.58Å; V187-F317 HydrophobicContact CG2-CZ 4.04Å; V187-L335 HydrophobicContact CG1-CB 3.96Å; V187-L335 HydrophobicContact CG2-CB 4.48Å; V187-L335 HydrophobicContact CG2-CD1 4.35Å; V187-L336 HydrophobicContact CB-CD2 4.34Å; V187-L336 HydrophobicContact CG1-CD2 3.67Å; V187-L336 HydrophobicContact CG1-CG 3.72Å; V187-I341 HydrophobicContact CG2-CD1 4.26Å
188	K	97.5	Very high	94.8	Very high	48 Å²	48	31.7 Å²	31.7	21%	0.209	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-42.1	175.2	-74.9	-175.2	177	-173.7	0	112.2	Y134 V184 A185 T186 N191 Y192 L336 E345	Y134-K188 HydrophobicContact CD2-CB 3.58Å; Y134-K188 HydrophobicContact CD2-CD 4.05Å; Y134-K188 HydrophobicContact CD2-CG 4.49Å; Y134-K188 HydrophobicContact CE2-CB 3.78Å; Y134-K188 HydrophobicContact CE2-CD 3.32Å; Y134-K188 HydrophobicContact CE2-CG 4.21Å; Y134-K188 HydrophobicContact CG-CB 4.32Å; V184-K188 HydrophobicContact CG1-CD 4.14Å; V184-K188 WeakPolarHBondContact O-CB 3.36Å; V184-K188 WeakPolarHBondContact O-CG 3.5Å; V184-K188 PolarHBondContact O-N 3.27Å; A185-K188 PolarHBondContact O-N 2.92Å; T186-K188 PolarHBondContact O-N 2.76Å; K188-N191 PolarHBondContact O-N 3.5Å; K188-Y192 WeakPolarHBondContact O-CB 3.27Å; K188-Y192 PolarHBondContact O-N 2.77Å; K188-L336 HydrophobicContact CG-CD2 3.76Å; K188-E345 WeakPolarHBondContact CE-OE1 3.24Å; K188-E345 IonicContact NZ-OE1 3.26Å; K188-E345 PolarHBondContact NZ-OE1 3.23Å
189	A	95.7	Very high	94.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-51.5	174.5	0	0	0	0	0	111.4	Y134 I135 A185 T186 N191 Y192 L193 L219	Y134-A189 WeakPolarHBondContact O-CB 3.46Å; I135-A189 HydrophobicContact CD1-CB 4.4Å; I135-A189 HydrophobicContact CG1-CB 3.77Å; A185-A189 WeakPolarHBondContact O-CB 3.34Å; A185-A189 PolarHBondContact O-N 3.47Å; T186-A189 PolarHBondContact O-N 3.29Å; A189-N191 VanDerWaalsContact C-N 3.34Å; A189-N191 PolarHBondContact O-N 3.47Å; A189-Y192 WeakPolarHBondContact O-CB 3.34Å; A189-Y192 PolarHBondContact O-N 3.37Å; A189-Y192 VanDerWaalsContact O-N 3.15Å; A189-L193 WeakPolarHBondContact O-CG 3.38Å; A189-L193 PolarHBondContact O-N 3.03Å; A189-L219 HydrophobicContact CB-CB 3.86Å; A189-L219 HydrophobicContact CB-CD2 3.85Å
190	L	95.7	Very high	93.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-41.8	178.4	-70.1	172.6	0	0	0	112.5	T186 V187 L193 K194 H201 V204 L219 D263 Y332	T186-L190 HydrophobicContact CG2-CD1 4.05Å; T186-L190 HydrophobicContact CG2-CG 4.43Å; T186-L190 WeakPolarHBondContact O-CB 3.47Å; T186-L190 VanDerWaalsContact O-CG 3.26Å; T186-L190 WeakPolarHBondContact O-CG 3.25Å; T186-L190 PolarHBondContact O-N 2.95Å; V187-L190 PolarHBondContact O-N 3.42Å; L190-L193 HydrophobicContact CD2-CD1 4.47Å; L190-L193 PolarHBondContact O-N 2.96Å; L190-K194 WeakPolarHBondContact O-CB 3.36Å; L190-K194 PolarHBondContact O-N 3.01Å; L190-H201 HydrophobicContact CD2-CB 3.63Å; L190-V204 HydrophobicContact CD1-CG2 4.14Å; L190-V204 HydrophobicContact CD2-CG2 3.71Å; L190-V204 HydrophobicContact CG-CG2 4.48Å; L190-L219 HydrophobicContact CD2-CD2 3.76Å; L190-L219 HydrophobicContact CG-CD2 4.01Å; L190-D263 HydrophobicContact CD1-CB 4.45Å; L190-D263 HydrophobicContact CD2-CB 4.28Å; L190-Y332 HydrophobicContact CB-CD1 4.15Å; L190-Y332 HydrophobicContact CB-CD2 4.39Å; L190-Y332 HydrophobicContact CB-CE1 3.7Å; L190-Y332 HydrophobicContact CB-CE2 3.94Å; L190-Y332 HydrophobicContact CB-CG 4.48Å; L190-Y332 HydrophobicContact CD1-CE1 3.9Å; L190-Y332 HydrophobicContact CG-CE1 4.36Å; L190-Y332 WeakPolarHBondContact O-CE2 3.39Å
191	N	95.8	Very high	93	Very high	35 Å²	35	35.1 Å²	35.1	19%	0.187	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-41.7	175.2	-168.7	60.8	0	0	0	111.8	V187 K188 A189 K194 E195 Y332 L336	V187-N191 VanDerWaalsContact O-CB 3.28Å; V187-N191 WeakPolarHBondContact O-CB 3.48Å; V187-N191 PolarHBondContact O-N 2.98Å; K188-N191 PolarHBondContact O-N 3.5Å; A189-N191 VanDerWaalsContact C-N 3.34Å; A189-N191 PolarHBondContact O-N 3.47Å; N191-K194 PolarHBondContact O-N 2.71Å; N191-E195 WeakPolarHBondContact O-CB 3Å; N191-E195 WeakPolarHBondContact O-CG 3.15Å; N191-E195 PolarHBondContact O-N 2.71Å; N191-Y332 HydrophobicContact CB-CD2 4.31Å; N191-Y332 HydrophobicContact CB-CG 4.4Å; N191-L336 HydrophobicContact CB-CD1 4.08Å
192	Y	92.9	Very high	92.5	Very high	33 Å²	33	37.3 Å²	37.3	13%	0.129	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-47.2	175.2	179.2	-89.9	0	0	0	111.9	S129 D131 C132 I135 K188 A189 K194 E195 K196 L197	S129-Y192 WeakPolarHBondContact CB-OH 3.33Å; S129-Y192 PolarHBondContact O-OH 2.75Å; D131-Y192 HydrophobicContact CB-CE2 4.28Å; C132-Y192 HydrophobicContact CB-CD1 3.63Å; C132-Y192 HydrophobicContact CB-CD2 3.78Å; C132-Y192 HydrophobicContact CB-CE1 3.64Å; C132-Y192 HydrophobicContact CB-CE2 3.83Å; C132-Y192 HydrophobicContact CB-CG 3.67Å; I135-Y192 HydrophobicContact CD1-CD1 3.39Å; I135-Y192 HydrophobicContact CD1-CE1 4.02Å; I135-Y192 HydrophobicContact CD1-CG 4.21Å; K188-Y192 WeakPolarHBondContact O-CB 3.27Å; K188-Y192 PolarHBondContact O-N 2.77Å; A189-Y192 WeakPolarHBondContact O-CB 3.34Å; A189-Y192 PolarHBondContact O-N 3.37Å; A189-Y192 VanDerWaalsContact O-N 3.15Å; Y192-K194 PolarHBondContact O-N 2.79Å; Y192-E195 PolarHBondContact O-N 2.87Å; Y192-K196 HydrophobicContact CD1-CB 4.48Å; Y192-K196 HydrophobicContact CD2-CB 4.02Å; Y192-K196 HydrophobicContact CD2-CG 3.62Å; Y192-K196 HydrophobicContact CE1-CB 4.39Å; Y192-K196 HydrophobicContact CE2-CB 3.86Å; Y192-K196 HydrophobicContact CE2-CG 3.65Å; Y192-K196 HydrophobicContact CG-CB 4.34Å; Y192-K196 HydrophobicContact CG-CG 4.3Å; Y192-K196 WeakPolarHBondContact O-CA 3.46Å; Y192-K196 WeakPolarHBondContact O-CB 3.29Å; Y192-K196 PolarHBondContact O-N 3.28Å; Y192-L197 HydrophobicContact CD1-CD1 4.42Å; Y192-L197 HydrophobicContact CD1-CG 4.34Å; Y192-L197 HydrophobicContact CE1-CD1 3.99Å; Y192-L197 HydrophobicContact CE1-CD2 4.29Å; Y192-L197 HydrophobicContact CE1-CG 3.96Å; Y192-L197 PolarHBondContact O-N 3.23Å
193	L	89.9	Confident	91.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-54.3	-43.8	176	-68.4	178.4	0	0	0	111.4	I135 A189 L190 L197 H198 T199 H201 L219 F222	I135-L193 HydrophobicContact CD1-CD2 3.64Å; I135-L193 HydrophobicContact CD1-CG 3.88Å; A189-L193 WeakPolarHBondContact O-CG 3.38Å; A189-L193 PolarHBondContact O-N 3.03Å; L190-L193 HydrophobicContact CD2-CD1 4.47Å; L190-L193 PolarHBondContact O-N 2.96Å; L193-L197 HydrophobicContact CD2-CD1 3.83Å; L193-L197 CarbonylContact O-C 3.59Å; L193-L197 WeakPolarHBondContact O-CA 3.47Å; L193-L197 WeakPolarHBondContact O-CB 3.4Å; L193-L197 PolarHBondContact O-N 2.8Å; L193-H198 PolarHBondContact O-N 3.4Å; L193-T199 CarbonylContact C-O 3.54Å; L193-T199 VanDerWaalsContact C-O 3.3Å; L193-T199 PolarHBondContact O-N 3.48Å; L193-H201 HydrophobicContact CD1-CB 4.1Å; L193-L219 HydrophobicContact CD1-CD2 4.32Å; L193-F222 HydrophobicContact CD1-CB 3.59Å; L193-F222 HydrophobicContact CD1-CD2 4.26Å; L193-F222 HydrophobicContact CD1-CG 3.95Å; L193-F222 HydrophobicContact CD2-CB 4.2Å; L193-F222 HydrophobicContact CD2-CD1 4.42Å; L193-F222 HydrophobicContact CD2-CD2 3.23Å; L193-F222 HydrophobicContact CD2-CE2 3.54Å; L193-F222 HydrophobicContact CD2-CG 3.71Å; L193-F222 HydrophobicContact CD2-CZ 4.32Å; L193-F222 HydrophobicContact CG-CD2 4.38Å; L193-F222 HydrophobicContact CG-CG 4.49Å
194	K	90.2	Very high	91.7	Very high	64 Å²	64	39.4 Å²	39.4	28%	0.278	18%	0.183	S	C	.	.	H	α-helix	trans	-73.1	-45.6	-178.9	167.2	57.8	-166.2	60.2	0	113.4	L190 N191 Y192 H198 T199 I260 Y332	L190-K194 WeakPolarHBondContact O-CB 3.36Å; L190-K194 PolarHBondContact O-N 3.01Å; N191-K194 PolarHBondContact O-N 2.71Å; Y192-K194 PolarHBondContact O-N 2.79Å; K194-H198 WeakPolarHBondContact O-CA 3.44Å; K194-H198 PolarHBondContact O-ND1 3.14Å; K194-T199 PolarHBondContact N-O 2.98Å; K194-I260 HydrophobicContact CB-CG2 4.11Å; K194-I260 HydrophobicContact CD-CG2 3.71Å; K194-I260 HydrophobicContact CG-CD1 4.36Å; K194-I260 HydrophobicContact CG-CG2 3.89Å; K194-Y332 HydrophobicContact CB-CD2 4.15Å; K194-Y332 HydrophobicContact CB-CE2 3.87Å; K194-Y332 HydrophobicContact CG-CD2 4.44Å; K194-Y332 HydrophobicContact CG-CE2 4.37Å
195	E	91.3	Very high	91.5	Very high	95 Å²	95	40.5 Å²	40.5	44%	0.444	19%	0.187	S	C	.	.	H	α-helix	trans	-85.4	-34.7	-171.7	-67.2	-55.9	119.9	0	0	113	N191 Y192 H198	N191-E195 WeakPolarHBondContact O-CB 3Å; N191-E195 WeakPolarHBondContact O-CG 3.15Å; N191-E195 PolarHBondContact O-N 2.71Å; Y192-E195 PolarHBondContact O-N 2.87Å; E195-H198 PolarHBondContact O-CE1 3.04Å
196	K	88.5	Confident	91.4	Very high	146 Å²	146	40.3 Å²	40.3	64%	0.635	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-37.3	-177.4	-59.3	-59.6	-173.9	176.8	0	113.3	Y192	Y192-K196 HydrophobicContact CD1-CB 4.48Å; Y192-K196 HydrophobicContact CD2-CB 4.02Å; Y192-K196 HydrophobicContact CD2-CG 3.62Å; Y192-K196 HydrophobicContact CE1-CB 4.39Å; Y192-K196 HydrophobicContact CE2-CB 3.86Å; Y192-K196 HydrophobicContact CE2-CG 3.65Å; Y192-K196 HydrophobicContact CG-CB 4.34Å; Y192-K196 HydrophobicContact CG-CG 4.3Å; Y192-K196 WeakPolarHBondContact O-CA 3.46Å; Y192-K196 WeakPolarHBondContact O-CB 3.29Å; Y192-K196 PolarHBondContact O-N 3.28Å
197	L	83.5	Confident	91.1	Very high	33 Å²	33	42 Å²	42	17%	0.173	20%	0.197	C	C	.	.	S	Bend	trans	-106.5	1	-177.1	-50.3	-172.4	0	0	0	113.9	I126 S129 Y192 L193 T199 F222	I126-L197 HydrophobicContact CG1-CD1 4.49Å; S129-L197 VanDerWaalsContact CB-CD2 3.48Å; Y192-L197 HydrophobicContact CD1-CD1 4.42Å; Y192-L197 HydrophobicContact CD1-CG 4.34Å; Y192-L197 HydrophobicContact CE1-CD1 3.99Å; Y192-L197 HydrophobicContact CE1-CD2 4.29Å; Y192-L197 HydrophobicContact CE1-CG 3.96Å; Y192-L197 PolarHBondContact O-N 3.23Å; L193-L197 HydrophobicContact CD2-CD1 3.83Å; L193-L197 CarbonylContact O-C 3.59Å; L193-L197 WeakPolarHBondContact O-CA 3.47Å; L193-L197 WeakPolarHBondContact O-CB 3.4Å; L193-L197 PolarHBondContact O-N 2.8Å; L197-T199 PolarHBondContact O-N 3.16Å; L197-T199 PolarHBondContact O-OG1 2.82Å; L197-F222 HydrophobicContact CD1-CE2 4.25Å
198	H	84.4	Confident	90.9	Very high	151 Å²	151	42.2 Å²	42.2	70%	0.699	20%	0.199	S	C	*	.			trans	47.7	37.2	-178.7	-57.8	-44.3	0	0	0	114	L193 K194 E195	L193-H198 PolarHBondContact O-N 3.4Å; K194-H198 WeakPolarHBondContact O-CA 3.44Å; K194-H198 PolarHBondContact O-ND1 3.14Å; E195-H198 PolarHBondContact O-CE1 3.04Å
199	T	82.5	Confident	90.9	Very high	37 Å²	37	40 Å²	40	23%	0.227	19%	0.189	C	C	.	.			trans	-124.8	140.7	-171.3	-66.6	0	0	0	0	110.6	L193 K194 L197 G223	L193-T199 CarbonylContact C-O 3.54Å; L193-T199 VanDerWaalsContact C-O 3.3Å; L193-T199 PolarHBondContact O-N 3.48Å; K194-T199 PolarHBondContact N-O 2.98Å; L197-T199 PolarHBondContact O-N 3.16Å; L197-T199 PolarHBondContact O-OG1 2.82Å; T199-G223 VanDerWaalsContact CG2-CA 3.48Å
200	I	86	Confident	91	Very high	37 Å²	37	41.2 Å²	41.2	19%	0.19	20%	0.196	C	C	.	.			trans	-97.6	139.4	170.9	-54.2	178.7	0	0	0	107.4	R202 I260 D263	I200-R202 HydrophobicContact CB-CG 4.1Å; I200-R202 HydrophobicContact CG2-CG 3.77Å; I200-I260 HydrophobicContact CD1-CG2 4.45Å; I200-I260 HydrophobicContact CG1-CG2 3.99Å; I200-D263 WeakPolarHBondContact CG2-OD2 3.44Å
201	H	88.5	Confident	91.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	20%	0.195	C	C	.	.			trans	-72.6	-46.8	-177.4	-173.8	-53.7	0	0	0	112.2	L190 L193 D203 V204 L219 C220 D263	L190-H201 HydrophobicContact CD2-CB 3.63Å; L193-H201 HydrophobicContact CD1-CB 4.1Å; H201-D203 VanDerWaalsContact C-N 3.27Å; H201-D203 PolarHBondContact CE1-O 3.3Å; H201-D203 PolarHBondContact ND1-N 3.49Å; H201-D203 PolarHBondContact O-N 3.22Å; H201-V204 HydrophobicContact CB-CG2 4.11Å; H201-L219 WeakPolarHBondContact CD2-CD2 3.41Å; H201-L219 VanDerWaalsContact CD2-CG 3.5Å; H201-L219 WeakPolarHBondContact CD2-CG 3.41Å; H201-L219 WeakPolarHBondContact NE2-CG 3.37Å; H201-C220 PolarHBondContact CE1-O 2.93Å; H201-C220 PolarHBondContact NE2-O 3.27Å; H201-D263 WeakPolarHBondContact CA-OD2 3.44Å; H201-D263 WeakPolarHBondContact CB-OD2 3Å; H201-D263 PolarHBondContact N-OD2 3.42Å
202	R	87.8	Confident	91.1	Very high	88 Å²	88	40.6 Å²	40.6	33%	0.332	19%	0.192	S	C	.	.			trans	70.9	-1.4	176.1	-51.7	175.1	176.6	-176.7	-3	117.6	I200 D230 R248 Y258 D263	I200-R202 HydrophobicContact CB-CG 4.1Å; I200-R202 HydrophobicContact CG2-CG 3.77Å; R202-D230 IonicContact NH1-OD2 2.8Å; R202-D230 PolarHBondContact NH1-OD2 3.09Å; R202-R248 PolarHBondContact O-NH1 3.42Å; R202-Y258 HydrophobicContact CG-CE2 4.43Å; R202-Y258 VanDerWaalsContact CZ-OH 3.3Å; R202-Y258 PolarHBondContact NE-OH 2.99Å; R202-D263 WeakPolarHBondContact CA-OD1 3.34Å; R202-D263 PolarHBondContact N-OD1 2.93Å; R202-D263 PolarHBondContact N-OD2 3.31Å
203	D	87	Confident	91.3	Very high	43 Å²	43	45.9 Å²	45.9	23%	0.23	21%	0.212	C	C	.	.			trans	-148.7	43.8	-174.6	-165.3	34.7	0	0	0	111.1	H201 K205 N208	H201-D203 VanDerWaalsContact C-N 3.27Å; H201-D203 PolarHBondContact CE1-O 3.3Å; H201-D203 PolarHBondContact ND1-N 3.49Å; H201-D203 PolarHBondContact O-N 3.22Å; D203-K205 PolarHBondContact O-N 3.48Å; D203-K205 WeakPolarHBondContact OD1-CE 3.22Å; D203-K205 IonicContact OD1-NZ 3.55Å; D203-K205 PolarHBondContact OD1-NZ 2.88Å; D203-K205 VanDerWaalsContact OD2-CE 3.27Å; D203-K205 WeakPolarHBondContact OD2-CE 3.4Å; D203-K205 IonicContact OD2-NZ 2.88Å; D203-K205 PolarHBondContact OD2-NZ 2.81Å; D203-N208 PolarHBondContact O-ND2 2.95Å; D203-N208 PolarHBondContact OD2-ND2 2.91Å
204	V	94.2	Very high	91.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.			trans	-71.8	120.7	175.8	-179.8	0	0	0	0	109	T186 L190 H201 D263 S266 L267	T186-V204 HydrophobicContact CG2-CG1 4.32Å; L190-V204 HydrophobicContact CD1-CG2 4.14Å; L190-V204 HydrophobicContact CD2-CG2 3.71Å; L190-V204 HydrophobicContact CG-CG2 4.48Å; H201-V204 HydrophobicContact CB-CG2 4.11Å; V204-D263 HydrophobicContact CG2-CB 3.95Å; V204-S266 WeakPolarHBondContact O-CB 3.43Å; V204-L267 HydrophobicContact CG1-CB 4.28Å
205	K	94.8	Very high	91.9	Very high	30 Å²	30	48.6 Å²	48.6	13%	0.13	24%	0.243	C	C	.	.	S	Bend	trans	-162.8	163.9	-179.9	60.4	-173.4	175.5	-150.7	0	110.4	D203 S207 N208 Y243 T270	D203-K205 PolarHBondContact O-N 3.48Å; D203-K205 WeakPolarHBondContact OD1-CE 3.22Å; D203-K205 IonicContact OD1-NZ 3.55Å; D203-K205 PolarHBondContact OD1-NZ 2.88Å; D203-K205 VanDerWaalsContact OD2-CE 3.27Å; D203-K205 WeakPolarHBondContact OD2-CE 3.4Å; D203-K205 IonicContact OD2-NZ 2.88Å; D203-K205 PolarHBondContact OD2-NZ 2.81Å; K205-S207 WeakPolarHBondContact CD-OG 3.44Å; K205-S207 VanDerWaalsContact CE-OG 3.27Å; K205-S207 WeakPolarHBondContact CE-OG 3.31Å; K205-S207 WeakPolarHBondContact CG-OG 3.27Å; K205-S207 PolarHBondContact O-N 3.29Å; K205-S207 VanDerWaalsContact O-N 3.13Å; K205-N208 WeakPolarHBondContact CE-ND2 3.16Å; K205-N208 HydrophobicContact CG-CB 4.27Å; K205-N208 PolarHBondContact O-N 3.46Å; K205-Y243 HydrophobicContact CB-CD1 4.18Å; K205-Y243 HydrophobicContact CB-CD2 3.6Å; K205-Y243 HydrophobicContact CB-CE1 4.15Å; K205-Y243 HydrophobicContact CB-CE2 3.57Å; K205-Y243 HydrophobicContact CB-CG 3.95Å; K205-Y243 HydrophobicContact CD-CD2 4.29Å; K205-Y243 HydrophobicContact CD-CE2 4.22Å; K205-T270 WeakPolarHBondContact CA-OG1 3.47Å
206	P	96.6	Very high	92.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.6	-33.6	-179	-24.9	31.8	0	0	0	114.5	L159 E160 Y163 N208 I209 Y243 T270 V274	L159-P206 HydrophobicContact CB-CB 4.37Å; L159-P206 WeakPolarHBondContact CB-O 3.44Å; L159-P206 HydrophobicContact CG-CB 4.36Å; L159-P206 PolarHBondContact N-O 3.46Å; E160-P206 HydrophobicContact CB-CB 3.83Å; E160-P206 PolarHBondContact N-O 3.04Å; E160-P206 VanDerWaalsContact N-O 3.1Å; Y163-P206 HydrophobicContact CD1-CB 4.34Å; Y163-P206 HydrophobicContact CE1-CB 4.03Å; Y163-P206 HydrophobicContact CE1-CG 4.22Å; P206-N208 VanDerWaalsContact C-N 3.26Å; P206-N208 PolarHBondContact O-N 3.47Å; P206-I209 PolarHBondContact O-N 3.46Å; P206-Y243 WeakPolarHBondContact CD-OH 3.36Å; P206-Y243 HydrophobicContact CG-CE1 4.37Å; P206-T270 HydrophobicContact CG-CG2 3.93Å; P206-V274 HydrophobicContact CB-CG2 4.36Å; P206-V274 HydrophobicContact CG-CG2 4.14Å
207	S	92.9	Very high	92.7	Very high	37 Å²	37	39.4 Å²	39.4	26%	0.259	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-71.5	-19.2	179.8	46.8	0	0	0	0	114.3	E160 K205	E160-S207 WeakPolarHBondContact OE2-CB 3.33Å; K205-S207 WeakPolarHBondContact CD-OG 3.44Å; K205-S207 VanDerWaalsContact CE-OG 3.27Å; K205-S207 WeakPolarHBondContact CE-OG 3.31Å; K205-S207 WeakPolarHBondContact CG-OG 3.27Å; K205-S207 PolarHBondContact O-N 3.29Å; K205-S207 VanDerWaalsContact O-N 3.13Å
208	N	93.9	Very high	93.3	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.032	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-98.8	0.6	179.3	-70.1	-6	0	0	0	113.5	D203 K205 P206 C220 D221	D203-N208 PolarHBondContact O-ND2 2.95Å; D203-N208 PolarHBondContact OD2-ND2 2.91Å; K205-N208 WeakPolarHBondContact CE-ND2 3.16Å; K205-N208 HydrophobicContact CG-CB 4.27Å; K205-N208 PolarHBondContact O-N 3.46Å; P206-N208 VanDerWaalsContact C-N 3.26Å; P206-N208 PolarHBondContact O-N 3.47Å; N208-C220 VanDerWaalsContact CA-SG 3.55Å; N208-C220 PolarHBondContact O-N 3.07Å; N208-C220 PolarHBondContact O-SG 2.75Å; N208-C220 VanDerWaalsContact O-SG 3.39Å; N208-D221 PolarHBondContact OD1-OD2 2.82Å
209	I	97.3	Very high	93.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.2	172.1	-60.7	170	0	0	0	107.2	S158 L159 I182 T186 P206 I217 L219 T270	S158-I209 CarbonylContact C-O 3.2Å; S158-I209 WeakPolarHBondContact CA-O 3.48Å; L159-I209 HydrophobicContact CB-CB 4Å; L159-I209 HydrophobicContact CB-CG2 4.19Å; L159-I209 HydrophobicContact CD2-CB 4.23Å; L159-I209 HydrophobicContact CD2-CD1 3.98Å; L159-I209 HydrophobicContact CD2-CG2 4.2Å; L159-I209 PolarHBondContact N-O 3.17Å; I182-I209 HydrophobicContact CG2-CD1 4.32Å; I182-I209 HydrophobicContact CG2-CG2 4.19Å; T186-I209 HydrophobicContact CG2-CD1 4.24Å; P206-I209 PolarHBondContact O-N 3.46Å; I209-I217 HydrophobicContact CG2-CG2 3.92Å; I209-L219 HydrophobicContact CG1-CD1 3.97Å; I209-T270 HydrophobicContact CD1-CG2 3.89Å
210	L	97.2	Very high	94.2	Very high	27 Å²	27	30.7 Å²	30.7	14%	0.141	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	146.6	-174.7	-53.4	-174	0	0	0	111.2	V136 M155 I157 I217 K218 C220	V136-L210 HydrophobicContact CG2-CD1 4Å; M155-L210 HydrophobicContact CB-CB 3.73Å; M155-L210 HydrophobicContact CB-CD1 3.96Å; M155-L210 HydrophobicContact CB-CG 4.44Å; M155-L210 HydrophobicContact CE-CB 4.25Å; M155-L210 HydrophobicContact CG-CB 3.66Å; M155-L210 HydrophobicContact CG-CD1 3.7Å; M155-L210 HydrophobicContact CG-CG 4.35Å; I157-L210 WeakPolarHBondContact O-CA 3.34Å; L210-I217 CarbonylContact O-C 3.52Å; L210-I217 WeakPolarHBondContact O-CA 3.44Å; L210-K218 PolarHBondContact N-O 2.96Å; L210-K218 PolarHBondContact O-N 3.23Å; L210-C220 HydrophobicContact CD1-CB 3.83Å; L210-C220 HydrophobicContact CG-CB 4.21Å
211	L	98.1	Very high	93.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154	179	-56.1	92	0	0	0	110.7	D156 I157 L159 L162 I182 S216 I217 V351 V355	D156-L211 PolarHBondContact N-O 2.99Å; D156-L211 VanDerWaalsContact N-O 3.14Å; I157-L211 HydrophobicContact CG2-CB 4.11Å; I157-L211 PolarHBondContact N-O 2.79Å; I157-L211 PolarHBondContact O-N 3.42Å; L159-L211 HydrophobicContact CB-CD1 3.94Å; L159-L211 HydrophobicContact CD1-CD1 4.37Å; L162-L211 HydrophobicContact CD2-CD1 4.2Å; L162-L211 HydrophobicContact CD2-CD2 3.96Å; I182-L211 HydrophobicContact CD1-CD2 4.31Å; I182-L211 HydrophobicContact CG1-CD2 4.3Å; L211-S216 VanDerWaalsContact CA-O 3.31Å; L211-S216 WeakPolarHBondContact CA-O 3.18Å; L211-I217 HydrophobicContact CD2-CG1 3.98Å; L211-I217 HydrophobicContact CG-CG1 4.22Å; L211-V351 HydrophobicContact CD2-CG1 3.98Å; L211-V355 HydrophobicContact CB-CG2 4.19Å; L211-V355 HydrophobicContact CD2-CG2 4.2Å
212	D	96.6	Very high	93.1	Very high	22 Å²	22	29.9 Å²	29.9	12%	0.118	16%	0.159	C	C	.	.			trans	-131.8	166.8	171.8	69.9	29.2	0	0	0	112.7	M155 D156 S214 G215 S216	M155-D212 HydrophobicContact CE-CB 4.04Å; D156-D212 HydrophobicContact CB-CB 4.43Å; D212-S214 PolarHBondContact O-N 3.33Å; D212-S214 VanDerWaalsContact OD1-CA 3.3Å; D212-S214 WeakPolarHBondContact OD1-CA 3.42Å; D212-S214 WeakPolarHBondContact OD1-CB 3.31Å; D212-S214 PolarHBondContact OD1-N 3.11Å; D212-S214 PolarHBondContact OD1-OG 3.01Å; D212-S214 PolarHBondContact OD2-OG 3.48Å; D212-G215 PolarHBondContact O-N 3.32Å; D212-G215 PolarHBondContact OD1-N 3.09Å; D212-S216 PolarHBondContact N-O 2.93Å; D212-S216 WeakPolarHBondContact OD1-CB 3.44Å; D212-S216 PolarHBondContact OD1-N 2.94Å; D212-S216 VanDerWaalsContact OD2-CB 3.23Å; D212-S216 WeakPolarHBondContact OD2-CB 3.5Å; D212-S216 PolarHBondContact OD2-OG 3.25Å
213	R	96.2	Very high	91.9	Very high	144 Å²	144	26.2 Å²	26.2	54%	0.543	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.2	177.4	-71.3	170	-72.5	-177.6	-5.7	113.9	D156 G215 G352 V355 A356 F359	D156-R213 IonicContact OD1-CZ 3.27Å; D156-R213 IonicContact OD1-NE 2.81Å; D156-R213 PolarHBondContact OD1-NE 3.2Å; D156-R213 IonicContact OD1-NH2 2.73Å; D156-R213 PolarHBondContact OD1-NH2 3.33Å; D156-R213 WeakPolarHBondContact OD2-CB 3.42Å; D156-R213 VanDerWaalsContact OD2-CG 3.31Å; D156-R213 WeakPolarHBondContact OD2-CG 3.31Å; D156-R213 IonicContact OD2-CZ 2.69Å; D156-R213 PolarHBondContact OD2-N 3.23Å; D156-R213 IonicContact OD2-NE 3.15Å; D156-R213 PolarHBondContact OD2-NE 3.49Å; D156-R213 IonicContact OD2-NH2 3.64Å; R213-G215 VanDerWaalsContact C-N 3.32Å; R213-G352 WeakPolarHBondContact O-CA 3.35Å; R213-V355 HydrophobicContact CG-CG1 4.09Å; R213-A356 HydrophobicContact CG-CB 4.2Å; R213-F359 HydrophobicContact CG-CD2 4.21Å; R213-F359 HydrophobicContact CG-CE2 4.41Å
214	S	96.6	Very high	90.5	Very high	95 Å²	95	24.6 Å²	24.6	66%	0.664	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.4	171.4	79.7	0	0	0	0	112.7	D212 S216	D212-S214 PolarHBondContact O-N 3.33Å; D212-S214 VanDerWaalsContact OD1-CA 3.3Å; D212-S214 WeakPolarHBondContact OD1-CA 3.42Å; D212-S214 WeakPolarHBondContact OD1-CB 3.31Å; D212-S214 PolarHBondContact OD1-N 3.11Å; D212-S214 PolarHBondContact OD1-OG 3.01Å; D212-S214 PolarHBondContact OD2-OG 3.48Å; S214-S216 PolarHBondContact OG-OG 3.21Å
215	G	97	Very high	88.7	Confident	27 Å²	27	24.8 Å²	24.8	28%	0.278	14%	0.141	S	C	.	.			trans	91.8	9.1	-179.8	0	0	0	0	0	114	D212 R213	D212-G215 PolarHBondContact O-N 3.32Å; D212-G215 PolarHBondContact OD1-N 3.09Å; R213-G215 VanDerWaalsContact C-N 3.32Å
216	S	97.7	Very high	87	Confident	36 Å²	36	23.8 Å²	23.8	25%	0.252	14%	0.14	S	C	.	.			trans	-69.8	139.6	173.6	-56.5	0	0	0	0	110.2	L211 D212 S214	L211-S216 VanDerWaalsContact CA-O 3.31Å; L211-S216 WeakPolarHBondContact CA-O 3.18Å; D212-S216 PolarHBondContact N-O 2.93Å; D212-S216 WeakPolarHBondContact OD1-CB 3.44Å; D212-S216 PolarHBondContact OD1-N 2.94Å; D212-S216 VanDerWaalsContact OD2-CB 3.23Å; D212-S216 WeakPolarHBondContact OD2-CB 3.5Å; D212-S216 PolarHBondContact OD2-OG 3.25Å; S214-S216 PolarHBondContact OG-OG 3.21Å
217	I	98.4	Very high	85.3	Confident	12 Å²	12	28.9 Å²	28.9	6%	0.062	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.7	171.3	-57.6	161.6	0	0	0	107.2	K181 I182 A185 I209 L210 L211 V351	K181-I217 HydrophobicContact CB-CD1 3.7Å; I182-I217 HydrophobicContact CG1-CD1 3.97Å; I182-I217 HydrophobicContact CG1-CG2 4.3Å; A185-I217 HydrophobicContact CB-CB 3.69Å; A185-I217 HydrophobicContact CB-CG2 3.65Å; I209-I217 HydrophobicContact CG2-CG2 3.92Å; L210-I217 CarbonylContact O-C 3.52Å; L210-I217 WeakPolarHBondContact O-CA 3.44Å; L211-I217 HydrophobicContact CD2-CG1 3.98Å; L211-I217 HydrophobicContact CG-CG1 4.22Å; I217-V351 HydrophobicContact CD1-CG1 4.17Å; I217-V351 HydrophobicContact CD1-CG2 4.24Å; I217-V351 HydrophobicContact CG1-CG1 4.24Å
218	K	96.5	Very high	83.8	Confident	30 Å²	30	27.1 Å²	27.1	13%	0.13	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.2	-170.5	-58.6	-169.2	177.9	-171.9	0	112.4	P133 Y134 V136 E153 M155 L210	P133-K218 VanDerWaalsContact O-CE 3.29Å; P133-K218 WeakPolarHBondContact O-CE 3.38Å; P133-K218 WeakPolarHBondContact O-CG 3.41Å; Y134-K218 CarbonylContact O-C 3.58Å; Y134-K218 WeakPolarHBondContact O-CA 3.27Å; V136-K218 HydrophobicContact CG2-CB 3.77Å; E153-K218 WeakPolarHBondContact OE1-CD 3.41Å; E153-K218 WeakPolarHBondContact OE1-CE 3.14Å; E153-K218 IonicContact OE1-NZ 3.69Å; E153-K218 PolarHBondContact OE1-NZ 2.69Å; E153-K218 IonicContact OE2-NZ 3.06Å; E153-K218 PolarHBondContact OE2-NZ 3.07Å; M155-K218 HydrophobicContact CE-CB 4.19Å; M155-K218 HydrophobicContact CE-CD 4.17Å; M155-K218 HydrophobicContact CE-CG 4.04Å; M155-K218 HydrophobicContact SD-CD 4.08Å; L210-K218 PolarHBondContact N-O 2.96Å; L210-K218 PolarHBondContact O-N 3.23Å
219	L	94.5	Very high	82.1	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.2	174.8	-165.6	62.5	0	0	0	109.4	Y134 V136 T186 A189 L190 L193 H201 I209	Y134-L219 PolarHBondContact O-N 3.21Å; V136-L219 PolarHBondContact N-O 3.1Å; T186-L219 HydrophobicContact CG2-CD1 4.41Å; A189-L219 HydrophobicContact CB-CB 3.86Å; A189-L219 HydrophobicContact CB-CD2 3.85Å; L190-L219 HydrophobicContact CD2-CD2 3.76Å; L190-L219 HydrophobicContact CG-CD2 4.01Å; L193-L219 HydrophobicContact CD1-CD2 4.32Å; H201-L219 WeakPolarHBondContact CD2-CD2 3.41Å; H201-L219 VanDerWaalsContact CD2-CG 3.5Å; H201-L219 WeakPolarHBondContact CD2-CG 3.41Å; H201-L219 WeakPolarHBondContact NE2-CG 3.37Å; I209-L219 HydrophobicContact CG1-CD1 3.97Å
220	C	89.9	Confident	80.4	Confident	7 Å²	7	29.4 Å²	29.4	5%	0.047	16%	0.162	C	C	.	.			trans	-113.1	177.9	176.9	76.2	0	0	0	0	111.5	V136 H201 N208 L210 F222	V136-C220 HydrophobicContact CB-CB 4.06Å; V136-C220 HydrophobicContact CG2-CB 3.63Å; H201-C220 PolarHBondContact CE1-O 2.93Å; H201-C220 PolarHBondContact NE2-O 3.27Å; N208-C220 VanDerWaalsContact CA-SG 3.55Å; N208-C220 PolarHBondContact O-N 3.07Å; N208-C220 PolarHBondContact O-SG 2.75Å; N208-C220 VanDerWaalsContact O-SG 3.39Å; L210-C220 HydrophobicContact CD1-CB 3.83Å; L210-C220 HydrophobicContact CG-CB 4.21Å; C220-F222 VanDerWaalsContact C-N 3.28Å; C220-F222 PolarHBondContact O-N 3.05Å; C220-F222 VanDerWaalsContact O-N 3.14Å
221	D	79.3	Confident	78.6	Confident	19 Å²	19	28.8 Å²	28.8	10%	0.102	16%	0.16	C	C	.	.	S	Bend	trans	58.9	26.5	171	-74.8	-23.8	0	0	0	117	K105 N208	K105-D221 IonicContact NZ-OD1 3.93Å; K105-D221 PolarHBondContact NZ-OD1 3.15Å; K105-D221 IonicContact NZ-OD2 3.08Å; K105-D221 PolarHBondContact NZ-OD2 2.71Å; N208-D221 PolarHBondContact OD1-OD2 2.82Å
222	F	72.6	Confident	76.5	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.009	16%	0.162	C	C	.	.			trans	-82	151.2	177.6	57.4	-84.1	0	0	0	113.5	I126 I135 F138 L193 L197 C220 I224	I126-F222 HydrophobicContact CD1-CD2 4.07Å; I126-F222 HydrophobicContact CD1-CE2 3.71Å; I126-F222 HydrophobicContact CG2-CE2 3.5Å; I126-F222 VanDerWaalsContact CG2-CE2 3.5Å; I126-F222 HydrophobicContact CG2-CZ 3.68Å; I135-F222 HydrophobicContact CB-CE1 4.46Å; I135-F222 HydrophobicContact CG2-CD1 4.02Å; I135-F222 HydrophobicContact CG2-CE1 3.08Å; I135-F222 HydrophobicContact CG2-CE2 4.22Å; I135-F222 HydrophobicContact CG2-CZ 3.19Å; F138-F222 HydrophobicContact CD2-CE1 4.37Å; F138-F222 HydrophobicContact CD2-CZ 4.03Å; F138-F222 HydrophobicContact CE2-CD1 4.35Å; F138-F222 AromaticContact CE2-CE1 3.34Å; F138-F222 HydrophobicContact CE2-CE1 3.34Å; F138-F222 HydrophobicContact CE2-CE2 4.34Å; F138-F222 AromaticContact CE2-CZ 3.34Å; F138-F222 HydrophobicContact CE2-CZ 3.34Å; F138-F222 AromaticContact CZ-CE1 3.96Å; F138-F222 HydrophobicContact CZ-CE1 3.96Å; F138-F222 HydrophobicContact CZ-CZ 4.21Å; L193-F222 HydrophobicContact CD1-CB 3.59Å; L193-F222 HydrophobicContact CD1-CD2 4.26Å; L193-F222 HydrophobicContact CD1-CG 3.95Å; L193-F222 HydrophobicContact CD2-CB 4.2Å; L193-F222 HydrophobicContact CD2-CD1 4.42Å; L193-F222 HydrophobicContact CD2-CD2 3.23Å; L193-F222 HydrophobicContact CD2-CE2 3.54Å; L193-F222 HydrophobicContact CD2-CG 3.71Å; L193-F222 HydrophobicContact CD2-CZ 4.32Å; L193-F222 HydrophobicContact CG-CD2 4.38Å; L193-F222 HydrophobicContact CG-CG 4.49Å; L197-F222 HydrophobicContact CD1-CE2 4.25Å; C220-F222 VanDerWaalsContact C-N 3.28Å; C220-F222 PolarHBondContact O-N 3.05Å; C220-F222 VanDerWaalsContact O-N 3.14Å; F222-I224 PolarHBondContact O-N 2.88Å
223	G	61.6	Low	74.4	Confident	11 Å²	11	28.6 Å²	28.6	11%	0.113	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-79.6	161	0	0	0	0	0	115.7	T199 G226 K227	T199-G223 VanDerWaalsContact CG2-CA 3.48Å; G223-G226 CarbonylContact O-C 3.49Å; G223-G226 WeakPolarHBondContact O-CA 3.35Å; G223-G226 PolarHBondContact O-N 3.11Å; G223-K227 PolarHBondContact O-N 3.2Å
224	I	57.8	Low	72.3	Confident	10 Å²	10	30.5 Å²	30.5	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-86.4	-39.8	-167.9	-58.3	174.3	0	0	0	111.7	L119 D122 L123 I126 F222 G226 K227 L228	L119-I224 HydrophobicContact CD1-CG2 3.26Å; L119-I224 HydrophobicContact CG-CG2 3.84Å; D122-I224 HydrophobicContact CB-CD1 3.48Å; D122-I224 VanDerWaalsContact CB-CD1 3.48Å; D122-I224 HydrophobicContact CB-CG1 4.02Å; D122-I224 HydrophobicContact CB-CG2 4.43Å; D122-I224 WeakPolarHBondContact O-CD1 3.34Å; L123-I224 HydrophobicContact CB-CD1 4.44Å; L123-I224 HydrophobicContact CD2-CB 3.89Å; L123-I224 HydrophobicContact CD2-CD1 3.92Å; L123-I224 HydrophobicContact CD2-CG2 3.79Å; L123-I224 HydrophobicContact CG-CB 4.37Å; L123-I224 HydrophobicContact CG-CD1 4.13Å; L123-I224 HydrophobicContact CG-CG2 3.76Å; L123-I224 VanDerWaalsContact N-CD1 3.32Å; I126-I224 HydrophobicContact CB-CD1 4.27Å; I126-I224 HydrophobicContact CD1-CB 4.43Å; I126-I224 HydrophobicContact CD1-CD1 3.12Å; I126-I224 HydrophobicContact CD1-CG1 3.51Å; I126-I224 HydrophobicContact CG1-CD1 3.5Å; I126-I224 VanDerWaalsContact CG1-CD1 3.5Å; I126-I224 HydrophobicContact CG1-CG1 4.38Å; F222-I224 PolarHBondContact O-N 2.88Å; I224-G226 PolarHBondContact O-N 3.26Å; I224-K227 PolarHBondContact O-N 3.49Å; I224-K227 VanDerWaalsContact O-N 3.1Å; I224-L228 PolarHBondContact O-N 2.81Å; I224-L228 VanDerWaalsContact O-N 3.07Å
225	A	57.6	Low	70	Confident	3 Å²	3	30.4 Å²	30.4	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-56.6	-39.3	163.1	0	0	0	0	0	109.3	K227 L228 I229	A225-K227 PolarHBondContact O-N 2.84Å; A225-L228 PolarHBondContact O-N 3.31Å; A225-I229 VanDerWaalsContact O-CB 3.24Å; A225-I229 WeakPolarHBondContact O-CB 3.31Å; A225-I229 WeakPolarHBondContact O-CD1 3.32Å; A225-I229 WeakPolarHBondContact O-CG1 3.15Å; A225-I229 PolarHBondContact O-N 3.13Å
226	G	58.5	Low	67.5	Low	10 Å²	10	37.8 Å²	37.8	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-41.8	172.2	0	0	0	0	0	114.3	G223 I224 I229 D230	G223-G226 CarbonylContact O-C 3.49Å; G223-G226 WeakPolarHBondContact O-CA 3.35Å; G223-G226 PolarHBondContact O-N 3.11Å; I224-G226 PolarHBondContact O-N 3.26Å; G226-I229 PolarHBondContact O-N 2.61Å; G226-D230 VanDerWaalsContact O-CB 3.3Å; G226-D230 WeakPolarHBondContact O-CB 3.32Å; G226-D230 PolarHBondContact O-N 2.91Å
227	K	60.9	Low	65.3	Low	106 Å²	106	40.2 Å²	40.2	46%	0.461	19%	0.192	S	C	.	.	H	α-helix	trans	-66.6	-40.5	174.7	-70.7	-176.9	-173.5	177.4	0	112.5	D122 G223 I224 A225 D230 S231	D122-K227 IonicContact OD2-NZ 2.93Å; D122-K227 PolarHBondContact OD2-NZ 2.94Å; G223-K227 PolarHBondContact O-N 3.2Å; I224-K227 PolarHBondContact O-N 3.49Å; I224-K227 VanDerWaalsContact O-N 3.1Å; A225-K227 PolarHBondContact O-N 2.84Å; K227-D230 PolarHBondContact O-N 3.08Å; K227-S231 PolarHBondContact O-N 3.4Å
228	L	61.2	Low	63	Low	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-45	175.4	-176.7	68.4	0	0	0	110.6	M107 M111 L119 C148 I224 A225 D230 S231 I232	M107-L228 HydrophobicContact CB-CD2 3.73Å; M107-L228 HydrophobicContact CE-CD2 3.41Å; M107-L228 VanDerWaalsContact CE-CD2 3.41Å; M107-L228 HydrophobicContact CG-CD2 4.37Å; M107-L228 HydrophobicContact SD-CD2 3.79Å; M111-L228 HydrophobicContact CE-CB 4.13Å; M111-L228 HydrophobicContact CE-CD1 3.4Å; M111-L228 HydrophobicContact CE-CG 4.35Å; M111-L228 HydrophobicContact CG-CD1 4.23Å; M111-L228 HydrophobicContact SD-CD1 3.54Å; M111-L228 VanDerWaalsContact SD-CD1 3.54Å; L119-L228 HydrophobicContact CD1-CB 4.46Å; L119-L228 HydrophobicContact CD2-CD1 4.46Å; C148-L228 HydrophobicContact CB-CD2 3.93Å; I224-L228 PolarHBondContact O-N 2.81Å; I224-L228 VanDerWaalsContact O-N 3.07Å; A225-L228 PolarHBondContact O-N 3.31Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-D230 PolarHBondContact O-N 3.13Å; L228-S231 WeakPolarHBondContact O-CB 3.37Å; L228-S231 PolarHBondContact O-N 3.25Å; L228-S231 VanDerWaalsContact O-N 3.12Å; L228-I232 HydrophobicContact CD1-CD1 4.41Å; L228-I232 HydrophobicContact CG-CD1 3.94Å; L228-I232 VanDerWaalsContact O-CG1 3.28Å; L228-I232 WeakPolarHBondContact O-CG1 3.47Å; L228-I232 PolarHBondContact O-N 3.4Å
229	I	58.4	Low	61.1	Low	11 Å²	11	45 Å²	45	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-57.2	-46.4	172	-73.6	167.3	0	0	0	110.4	F87 A225 G226 S231 I232 A233	F87-I229 HydrophobicContact CB-CG1 4.45Å; F87-I229 HydrophobicContact CD1-CB 4.44Å; F87-I229 HydrophobicContact CD1-CG1 4Å; F87-I229 HydrophobicContact CD1-CG2 4.23Å; F87-I229 HydrophobicContact CD2-CD1 3.66Å; F87-I229 HydrophobicContact CD2-CG1 3.56Å; F87-I229 HydrophobicContact CD2-CG2 4.37Å; F87-I229 HydrophobicContact CE1-CB 4.23Å; F87-I229 HydrophobicContact CE1-CG1 4.16Å; F87-I229 HydrophobicContact CE1-CG2 3.55Å; F87-I229 HydrophobicContact CE2-CB 4.32Å; F87-I229 HydrophobicContact CE2-CD1 3.7Å; F87-I229 HydrophobicContact CE2-CG1 3.72Å; F87-I229 HydrophobicContact CE2-CG2 3.69Å; F87-I229 HydrophobicContact CG-CD1 4.32Å; F87-I229 HydrophobicContact CG-CG1 3.71Å; F87-I229 HydrophobicContact CZ-CB 4.18Å; F87-I229 HydrophobicContact CZ-CD1 4.4Å; F87-I229 HydrophobicContact CZ-CG1 4.04Å; F87-I229 HydrophobicContact CZ-CG2 3.24Å; A225-I229 VanDerWaalsContact O-CB 3.24Å; A225-I229 WeakPolarHBondContact O-CB 3.31Å; A225-I229 WeakPolarHBondContact O-CD1 3.32Å; A225-I229 WeakPolarHBondContact O-CG1 3.15Å; A225-I229 PolarHBondContact O-N 3.13Å; G226-I229 PolarHBondContact O-N 2.61Å; I229-S231 VanDerWaalsContact C-N 3.28Å; I229-S231 PolarHBondContact O-N 2.8Å; I229-I232 PolarHBondContact O-N 3.03Å; I229-A233 WeakPolarHBondContact O-CA 3.49Å; I229-A233 WeakPolarHBondContact O-CB 3.33Å; I229-A233 PolarHBondContact O-N 2.85Å
230	D	61.3	Low	59.7	Low	42 Å²	42	46.6 Å²	46.6	23%	0.225	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-36.5	177.7	-75.9	-22	0	0	0	110.7	R202 G226 K227 L228 R234	R202-D230 IonicContact NH1-OD2 2.8Å; R202-D230 PolarHBondContact NH1-OD2 3.09Å; G226-D230 VanDerWaalsContact O-CB 3.3Å; G226-D230 WeakPolarHBondContact O-CB 3.32Å; G226-D230 PolarHBondContact O-N 2.91Å; K227-D230 PolarHBondContact O-N 3.08Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-D230 PolarHBondContact O-N 3.13Å; D230-R234 WeakPolarHBondContact O-CB 3.49Å; D230-R234 WeakPolarHBondContact O-CG 3.3Å; D230-R234 PolarHBondContact O-N 3.39Å
231	S	59.7	Low	59.3	Low	14 Å²	14	49.4 Å²	49.4	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-46.3	174.2	-166.6	0	0	0	0	112.6	K227 L228 I229	K227-S231 PolarHBondContact O-N 3.4Å; L228-S231 WeakPolarHBondContact O-CB 3.37Å; L228-S231 PolarHBondContact O-N 3.25Å; L228-S231 VanDerWaalsContact O-N 3.12Å; I229-S231 VanDerWaalsContact C-N 3.28Å; I229-S231 PolarHBondContact O-N 2.8Å
232	I	55.1	Low	59.5	Low	11 Å²	11	51.5 Å²	51.5	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-45.5	177.8	-62.1	162.2	0	0	0	110.1	F87 H108 L228 I229 R234 T235 R236	F87-I232 HydrophobicContact CD1-CG2 4.39Å; H108-I232 WeakPolarHBondContact O-CD1 3.24Å; H108-I232 WeakPolarHBondContact O-CG1 3.38Å; L228-I232 HydrophobicContact CD1-CD1 4.41Å; L228-I232 HydrophobicContact CG-CD1 3.94Å; L228-I232 VanDerWaalsContact O-CG1 3.28Å; L228-I232 WeakPolarHBondContact O-CG1 3.47Å; L228-I232 PolarHBondContact O-N 3.4Å; I229-I232 PolarHBondContact O-N 3.03Å; I232-R234 VanDerWaalsContact C-N 3.34Å; I232-R234 PolarHBondContact O-N 3.31Å; I232-T235 PolarHBondContact O-N 3.26Å; I232-T235 PolarHBondContact O-OG1 3.03Å; I232-R236 PolarHBondContact O-N 3.47Å
233	A	52.5	Low	60.5	Low	8 Å²	8	52.5 Å²	52.5	7%	0.066	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-30.3	-176.2	0	0	0	0	0	112.5	I229 T235 R236 D237	I229-A233 WeakPolarHBondContact O-CA 3.49Å; I229-A233 WeakPolarHBondContact O-CB 3.33Å; I229-A233 PolarHBondContact O-N 2.85Å; A233-T235 PolarHBondContact O-N 3.23Å; A233-R236 PolarHBondContact O-N 2.68Å; A233-R236 VanDerWaalsContact O-N 3.09Å; A233-D237 PolarHBondContact O-N 3.25Å
234	R	50.7	Low	61.9	Low	184 Å²	184	53.5 Å²	53.5	69%	0.694	29%	0.285	S	S	*	.	H	α-helix	trans	-53	-24.1	168.3	-86.7	-173.3	-66.3	-103.8	9.2	112.5	D230 I232	D230-R234 WeakPolarHBondContact O-CB 3.49Å; D230-R234 WeakPolarHBondContact O-CG 3.3Å; D230-R234 PolarHBondContact O-N 3.39Å; I232-R234 VanDerWaalsContact C-N 3.34Å; I232-R234 PolarHBondContact O-N 3.31Å
235	T	48.3	Very low	63.6	Low	92 Å²	92	53 Å²	53	56%	0.564	28%	0.283	S	S	*	.	H	α-helix	trans	-102.4	-17	178.2	66.2	0	0	0	0	114.8	L110 I232 A233	L110-T235 HydrophobicContact CD1-CG2 4.02Å; I232-T235 PolarHBondContact O-N 3.26Å; I232-T235 PolarHBondContact O-OG1 3.03Å; A233-T235 PolarHBondContact O-N 3.23Å
236	R	45.7	Very low	65.3	Low	182 Å²	182	53 Å²	53	69%	0.687	28%	0.283	S	S	*	.	H	α-helix	trans	-120.3	-30.7	-169.9	-78.6	-173.5	169.8	178.5	-1.5	116.6	I232 A233	I232-R236 PolarHBondContact O-N 3.47Å; A233-R236 PolarHBondContact O-N 2.68Å; A233-R236 VanDerWaalsContact O-N 3.09Å
237	D	50.9	Low	66.8	Low	88 Å²	88	52.8 Å²	52.8	47%	0.471	28%	0.279	S	S	.	.			trans	-136.9	86	-168	-76.3	-42.3	0	0	0	113.6	A233 G239	A233-D237 PolarHBondContact O-N 3.25Å; D237-G239 PolarHBondContact O-N 3.14Å
238	A	49.4	Very low	68	Low	106 Å²	106	50 Å²	50	88%	0.876	27%	0.266	S	S	*	.			trans	-81	32.7	152.9	0	0	0	0	0	111.3
239	G	57.9	Low	69.1	Low	36 Å²	36	51 Å²	51	37%	0.371	27%	0.271	S	S	.	.	S	Bend	trans	-101.9	172.8	-173	0	0	0	0	0	114.2	D237 K241	D237-G239 PolarHBondContact O-N 3.14Å; G239-K241 PolarHBondContact O-N 2.94Å
240	C	64.9	Low	70.3	Confident	36 Å²	36	52.8 Å²	52.8	24%	0.243	28%	0.281	C	S	.	.			trans	-68.6	110.1	179.7	-50.6	0	0	0	0	110.9	W284 S286 V287 Q290	C240-W284 HydrophobicContact CB-CB 4.27Å; C240-W284 HydrophobicContact CB-CD2 4.33Å; C240-W284 HydrophobicContact CB-CE3 3.55Å; C240-W284 HydrophobicContact CB-CZ3 4.28Å; C240-S286 PolarHBondContact SG-O 2.89Å; C240-V287 VanDerWaalsContact SG-CA 3.52Å; C240-V287 PolarHBondContact SG-N 3.49Å; C240-Q290 HydrophobicContact CB-CB 4.38Å; C240-Q290 VanDerWaalsContact CB-OE1 3.3Å
241	K	80.3	Confident	71.3	Confident	65 Å²	65	55.2 Å²	55.2	28%	0.283	30%	0.298	S	S	.	.			trans	-89.6	119.6	177.6	-66.8	-169.4	-178.9	-178.8	0	109.9	G239 M244 Q290	G239-K241 PolarHBondContact O-N 2.94Å; K241-M244 HydrophobicContact CB-CB 4.47Å; K241-M244 HydrophobicContact CB-CE 3.67Å; K241-M244 HydrophobicContact CD-CE 3.68Å; K241-M244 HydrophobicContact CG-CE 4.02Å; K241-M244 WeakPolarHBondContact O-CB 3.44Å; K241-Q290 PolarHBondContact O-NE2 2.96Å
242	P	84.9	Confident	72.2	Confident	63 Å²	63	58.7 Å²	58.7	41%	0.409	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	159.8	175.3	28.8	-34.1	0	0	0	110.1	M244 F279	P242-M244 PolarHBondContact O-N 3.35Å; P242-F279 HydrophobicContact CB-CE1 4.48Å; P242-F279 HydrophobicContact CB-CE2 3.99Å; P242-F279 HydrophobicContact CB-CZ 3.72Å
243	Y	93.8	Very high	73.3	Confident	23 Å²	23	63.8 Å²	63.8	9%	0.09	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	-5.3	-177.8	-42.9	-87.2	0	0	0	116.5	K205 P206 A245 S266 I269 E273 F279	K205-Y243 HydrophobicContact CB-CD1 4.18Å; K205-Y243 HydrophobicContact CB-CD2 3.6Å; K205-Y243 HydrophobicContact CB-CE1 4.15Å; K205-Y243 HydrophobicContact CB-CE2 3.57Å; K205-Y243 HydrophobicContact CB-CG 3.95Å; K205-Y243 HydrophobicContact CD-CD2 4.29Å; K205-Y243 HydrophobicContact CD-CE2 4.22Å; P206-Y243 WeakPolarHBondContact CD-OH 3.36Å; P206-Y243 HydrophobicContact CG-CE1 4.37Å; Y243-A245 PolarHBondContact O-N 2.76Å; Y243-S266 WeakPolarHBondContact O-CA 3.27Å; Y243-S266 WeakPolarHBondContact O-CB 3.21Å; Y243-S266 PolarHBondContact O-OG 3.27Å; Y243-I269 HydrophobicContact CD1-CB 3.93Å; Y243-I269 HydrophobicContact CD1-CG2 3.43Å; Y243-I269 VanDerWaalsContact CD1-CG2 3.43Å; Y243-I269 HydrophobicContact CE1-CG2 3.83Å; Y243-I269 HydrophobicContact CG-CG2 4.32Å; Y243-E273 WeakPolarHBondContact CE1-OE2 3.5Å; Y243-E273 VanDerWaalsContact OH-CD 3.3Å; Y243-E273 PolarHBondContact OH-OE1 2.73Å; Y243-E273 PolarHBondContact OH-OE2 3.34Å; Y243-F279 HydrophobicContact CD1-CE2 4.26Å; Y243-F279 HydrophobicContact CE1-CD2 4.18Å; Y243-F279 AromaticContact CE1-CE2 3.9Å; Y243-F279 HydrophobicContact CE1-CE2 3.9Å; Y243-F279 HydrophobicContact CE2-CE2 4.35Å; Y243-F279 AromaticContact CZ-CE2 3.94Å
244	M	91.1	Very high	74.4	Confident	32 Å²	32	64.1 Å²	64.1	16%	0.158	35%	0.352	C	S	.	.			trans	-65.9	134.4	-178.6	-168.9	177.9	-78	0	0	111.6	K241 P242 R248 I249 W265	K241-M244 HydrophobicContact CB-CB 4.47Å; K241-M244 HydrophobicContact CB-CE 3.67Å; K241-M244 HydrophobicContact CD-CE 3.68Å; K241-M244 HydrophobicContact CG-CE 4.02Å; K241-M244 WeakPolarHBondContact O-CB 3.44Å; P242-M244 PolarHBondContact O-N 3.35Å; M244-R248 HydrophobicContact CG-CB 3.46Å; M244-R248 VanDerWaalsContact CG-CB 3.46Å; M244-R248 HydrophobicContact SD-CB 3.83Å; M244-I249 HydrophobicContact CB-CD1 4.31Å; M244-I249 HydrophobicContact CB-CG1 4.02Å; M244-I249 HydrophobicContact CG-CD1 4.44Å; M244-I249 HydrophobicContact CG-CG1 3.68Å; M244-I249 HydrophobicContact SD-CB 4.42Å; M244-I249 HydrophobicContact SD-CG1 3.56Å; M244-I249 VanDerWaalsContact SD-CG1 3.56Å; M244-W265 PolarHBondContact O-NE1 3.36Å
245	A	92.7	Very high	75.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.358	C	S	.	.			trans	-71.7	151.3	178.8	0	0	0	0	0	112.6	Y243 E247 R248 I249 A262 W265	Y243-A245 PolarHBondContact O-N 2.76Å; A245-E247 VanDerWaalsContact CB-CD 3.46Å; A245-E247 WeakPolarHBondContact CB-OE1 3.42Å; A245-E247 WeakPolarHBondContact CB-OE2 3.25Å; A245-E247 PolarHBondContact O-N 2.87Å; A245-E247 VanDerWaalsContact O-N 3.15Å; A245-R248 WeakPolarHBondContact O-CB 3.13Å; A245-R248 PolarHBondContact O-N 2.87Å; A245-I249 PolarHBondContact O-N 3.16Å; A245-A262 HydrophobicContact CB-CB 3.94Å; A245-W265 VanDerWaalsContact CA-CD1 3.42Å; A245-W265 HydrophobicContact CB-CB 3.71Å; A245-W265 HydrophobicContact CB-CD2 4.47Å; A245-W265 HydrophobicContact CB-CG 3.74Å
246	P	92.5	Very high	76.3	Confident	4 Å²	4	71.6 Å²	71.6	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-51.2	-42	-177.6	-27.5	33	0	0	0	113.7	R248 I249 D250 W265 V294 V295 K324	P246-R248 VanDerWaalsContact C-N 3.28Å; P246-R248 PolarHBondContact O-N 3.39Å; P246-I249 PolarHBondContact O-N 3.4Å; P246-D250 PolarHBondContact O-N 3.36Å; P246-W265 HydrophobicContact CG-CD2 4.37Å; P246-W265 HydrophobicContact CG-CE3 4.15Å; P246-W265 HydrophobicContact CG-CH2 3.78Å; P246-W265 HydrophobicContact CG-CZ2 4.01Å; P246-W265 HydrophobicContact CG-CZ3 3.85Å; P246-V294 HydrophobicContact CG-CG1 4.1Å; P246-V295 HydrophobicContact CB-CG2 4.21Å; P246-K324 HydrophobicContact CG-CG 4.47Å
247	E	89.9	Confident	77.5	Confident	5 Å²	5	64.9 Å²	64.9	2%	0.023	36%	0.363	C	S	.	.	H	α-helix	trans	-72.4	-17.3	-179.1	70.7	-80.2	-178.6	0	0	115	A245 D250 K253 A262 E326 R329	A245-E247 VanDerWaalsContact CB-CD 3.46Å; A245-E247 WeakPolarHBondContact CB-OE1 3.42Å; A245-E247 WeakPolarHBondContact CB-OE2 3.25Å; A245-E247 PolarHBondContact O-N 2.87Å; A245-E247 VanDerWaalsContact O-N 3.15Å; E247-D250 CarbonylContact O-C 3.53Å; E247-K253 HydrophobicContact CB-CB 4.16Å; E247-A262 WeakPolarHBondContact OE1-CA 3.27Å; E247-E326 HydrophobicContact CG-CB 4.45Å; E247-E326 HydrophobicContact CG-CG 4.09Å; E247-R329 IonicContact OE1-CZ 3.74Å; E247-R329 IonicContact OE1-NH1 2.67Å; E247-R329 PolarHBondContact OE1-NH1 3.3Å; E247-R329 IonicContact OE1-NH2 2.81Å; E247-R329 IonicContact OE2-CZ 2.72Å; E247-R329 IonicContact OE2-NH1 2.74Å; E247-R329 PolarHBondContact OE2-NH1 3.13Å; E247-R329 IonicContact OE2-NH2 2.64Å; E247-R329 PolarHBondContact OE2-NH2 3.15Å
248	R	87	Confident	78.6	Confident	47 Å²	47	64.5 Å²	64.5	18%	0.177	36%	0.355	C	S	.	.	H	α-helix	trans	-85.4	-27.3	171.8	-73.9	-176	65.7	-170.6	4.3	112	R202 M244 A245 P246 Y258 A262	R202-R248 PolarHBondContact O-NH1 3.42Å; M244-R248 HydrophobicContact CG-CB 3.46Å; M244-R248 VanDerWaalsContact CG-CB 3.46Å; M244-R248 HydrophobicContact SD-CB 3.83Å; A245-R248 WeakPolarHBondContact O-CB 3.13Å; A245-R248 PolarHBondContact O-N 2.87Å; P246-R248 VanDerWaalsContact C-N 3.28Å; P246-R248 PolarHBondContact O-N 3.39Å; R248-Y258 HydrophobicContact CG-CD1 3.95Å; R248-Y258 HydrophobicContact CG-CD2 4.05Å; R248-Y258 HydrophobicContact CG-CG 3.66Å; R248-A262 VanDerWaalsContact CD-CB 3.47Å; R248-A262 HydrophobicContact CG-CB 3.97Å
249	I	84.4	Confident	80.3	Confident	23 Å²	23	61.1 Å²	61.1	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-81.2	-45.1	177.6	-55.3	163.3	0	0	0	109.8	M244 A245 P246 P251 Q290 L291 V294 V295	M244-I249 HydrophobicContact CB-CD1 4.31Å; M244-I249 HydrophobicContact CB-CG1 4.02Å; M244-I249 HydrophobicContact CG-CD1 4.44Å; M244-I249 HydrophobicContact CG-CG1 3.68Å; M244-I249 HydrophobicContact SD-CB 4.42Å; M244-I249 HydrophobicContact SD-CG1 3.56Å; M244-I249 VanDerWaalsContact SD-CG1 3.56Å; A245-I249 PolarHBondContact O-N 3.16Å; P246-I249 PolarHBondContact O-N 3.4Å; I249-P251 WeakPolarHBondContact O-CD 3.45Å; I249-Q290 HydrophobicContact CD1-CG 3.97Å; I249-L291 HydrophobicContact CB-CD2 4.47Å; I249-L291 HydrophobicContact CG2-CD2 3.49Å; I249-L291 VanDerWaalsContact CG2-CD2 3.49Å; I249-L291 HydrophobicContact CG2-CG 3.76Å; I249-V294 HydrophobicContact CD1-CB 3.75Å; I249-V294 HydrophobicContact CD1-CG1 3.54Å; I249-V294 HydrophobicContact CD1-CG2 4.26Å; I249-V295 HydrophobicContact CB-CG2 3.93Å; I249-V295 HydrophobicContact CD1-CG2 4.3Å; I249-V295 HydrophobicContact CG2-CG2 4.09Å
250	D	84.2	Confident	81.9	Confident	48 Å²	48	60 Å²	60	26%	0.257	31%	0.308	S	S	.	.			trans	-116.5	93.7	173.8	179.9	12.1	0	0	0	109.9	P246 E247 A252 K253 L291 V295	P246-D250 PolarHBondContact O-N 3.36Å; E247-D250 CarbonylContact O-C 3.53Å; D250-A252 PolarHBondContact O-N 3.13Å; D250-A252 WeakPolarHBondContact OD1-CB 3.11Å; D250-A252 PolarHBondContact OD1-N 3.1Å; D250-K253 HydrophobicContact CB-CG 4.1Å; D250-K253 WeakPolarHBondContact O-CB 3.46Å; D250-K253 PolarHBondContact O-N 3.25Å; D250-L291 HydrophobicContact CB-CD2 4.03Å; D250-V295 HydrophobicContact CB-CG1 3.98Å; D250-V295 HydrophobicContact CB-CG2 4.21Å
251	P	80.7	Confident	83.4	Confident	92 Å²	92	59.9 Å²	59.9	60%	0.597	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-56.6	-20.1	177.6	-26	34.9	0	0	0	113.8	I249 K253 S254	I249-P251 WeakPolarHBondContact O-CD 3.45Å; P251-K253 PolarHBondContact O-N 3Å; P251-S254 PolarHBondContact O-N 2.53Å; P251-S254 VanDerWaalsContact O-N 3.07Å; P251-S254 VanDerWaalsContact O-O 3.11Å
252	A	80.4	Confident	84	Confident	88 Å²	88	56.8 Å²	56.8	73%	0.727	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.6	175.7	0	0	0	0	0	112.7	D250 S254	D250-A252 PolarHBondContact O-N 3.13Å; D250-A252 WeakPolarHBondContact OD1-CB 3.11Å; D250-A252 PolarHBondContact OD1-N 3.1Å; A252-S254 VanDerWaalsContact C-N 3.31Å
253	K	78	Confident	84.5	Confident	117 Å²	117	53.8 Å²	53.8	51%	0.509	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-75.4	-15.7	174	-63.4	-70.4	-174.9	175.9	0	113.6	E247 D250 P251 V295	E247-K253 HydrophobicContact CB-CB 4.16Å; D250-K253 HydrophobicContact CB-CG 4.1Å; D250-K253 WeakPolarHBondContact O-CB 3.46Å; D250-K253 PolarHBondContact O-N 3.25Å; P251-K253 PolarHBondContact O-N 3Å; K253-V295 HydrophobicContact CD-CG1 4.48Å; K253-V295 VanDerWaalsContact CE-CG1 3.46Å; K253-V295 HydrophobicContact CG-CG1 4.22Å
254	S	74.7	Confident	84.7	Confident	16 Å²	16	52.7 Å²	52.7	11%	0.112	27%	0.265	C	S	.	.			trans	-120.9	115.1	178.4	-169.4	0	0	0	0	112.1	P251 A252 R256 G257 E326	P251-S254 PolarHBondContact O-N 2.53Å; P251-S254 VanDerWaalsContact O-N 3.07Å; P251-S254 VanDerWaalsContact O-O 3.11Å; A252-S254 VanDerWaalsContact C-N 3.31Å; S254-R256 PolarHBondContact O-N 3.3Å; S254-G257 VanDerWaalsContact OG-C 3.25Å; S254-G257 PolarHBondContact OG-O 2.52Å; S254-E326 WeakPolarHBondContact CB-OE2 3.36Å; S254-E326 PolarHBondContact OG-OE2 3.09Å
255	K	68.1	Low	85	Confident	189 Å²	189	51.2 Å²	51.2	82%	0.822	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.6	-178.6	-65.8	177.5	-176.6	166.9	0	113.6
256	R	70.7	Confident	85.3	Confident	243 Å²	243	51.3 Å²	51.3	92%	0.917	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	8	-170.2	-63.3	-176.3	-178.9	175	1.6	113.5	S254	S254-R256 PolarHBondContact O-N 3.3Å
257	G	71.7	Confident	85.5	Confident	42 Å²	42	51.2 Å²	51.2	43%	0.433	26%	0.257	S	S	.	.			trans	79.6	159.3	-165.2	0	0	0	0	0	111.7	S254	S254-G257 VanDerWaalsContact OG-C 3.25Å; S254-G257 PolarHBondContact OG-O 2.52Å
258	Y	73.6	Confident	86	Confident	80 Å²	80	51 Å²	51	31%	0.314	26%	0.256	S	S	.	.			trans	-68.4	149	-177.9	71	-88.1	0	0	0	112	R202 R248 A262	R202-Y258 HydrophobicContact CG-CE2 4.43Å; R202-Y258 VanDerWaalsContact CZ-OH 3.3Å; R202-Y258 PolarHBondContact NE-OH 2.99Å; R248-Y258 HydrophobicContact CG-CD1 3.95Å; R248-Y258 HydrophobicContact CG-CD2 4.05Å; R248-Y258 HydrophobicContact CG-CG 3.66Å; Y258-A262 HydrophobicContact CD2-CB 4.13Å
259	D	85.2	Confident	86.5	Confident	35 Å²	35	48.8 Å²	48.8	19%	0.187	25%	0.248	C	C	.	.			trans	-119.1	-162.6	171.7	79.2	4.2	0	0	0	112.4	R261 A262 K331	D259-R261 VanDerWaalsContact CG-NE 3.25Å; D259-R261 PolarHBondContact O-N 3.32Å; D259-R261 VanDerWaalsContact O-N 3.07Å; D259-R261 WeakPolarHBondContact OD1-CB 3.44Å; D259-R261 VanDerWaalsContact OD1-CG 3.26Å; D259-R261 WeakPolarHBondContact OD1-CG 3.45Å; D259-R261 IonicContact OD1-CZ 2.65Å; D259-R261 PolarHBondContact OD1-N 3.2Å; D259-R261 IonicContact OD1-NE 2.75Å; D259-R261 PolarHBondContact OD1-NE 2.94Å; D259-R261 IonicContact OD1-NH2 3.36Å; D259-R261 IonicContact OD2-CZ 4Å; D259-R261 IonicContact OD2-NE 3.66Å; D259-R261 PolarHBondContact OD2-NE 3.38Å; D259-R261 IonicContact OD2-NH2 3.46Å; D259-R261 PolarHBondContact OD2-NH2 3.22Å; D259-A262 WeakPolarHBondContact O-CB 3.26Å; D259-A262 PolarHBondContact O-N 3.22Å; D259-A262 VanDerWaalsContact O-N 3.1Å; D259-K331 IonicContact OD2-NZ 3.36Å
260	I	91.4	Very high	87.2	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.062	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-21.5	177.1	54.4	162.2	0	0	0	114.8	K194 I200 A262 D263 V264 K331 Y332	K194-I260 HydrophobicContact CB-CG2 4.11Å; K194-I260 HydrophobicContact CD-CG2 3.71Å; K194-I260 HydrophobicContact CG-CD1 4.36Å; K194-I260 HydrophobicContact CG-CG2 3.89Å; I200-I260 HydrophobicContact CD1-CG2 4.45Å; I200-I260 HydrophobicContact CG1-CG2 3.99Å; I260-A262 PolarHBondContact O-N 2.82Å; I260-D263 WeakPolarHBondContact O-CB 3.16Å; I260-D263 PolarHBondContact O-N 2.97Å; I260-V264 PolarHBondContact O-N 2.86Å; I260-K331 HydrophobicContact CD1-CB 4.06Å; I260-K331 HydrophobicContact CD1-CD 4.25Å; I260-K331 HydrophobicContact CD1-CG 4.07Å; I260-Y332 HydrophobicContact CB-CD2 4.41Å; I260-Y332 HydrophobicContact CB-CE1 4.46Å; I260-Y332 HydrophobicContact CB-CE2 3.58Å; I260-Y332 WeakPolarHBondContact CB-OH 3.41Å; I260-Y332 HydrophobicContact CD1-CD2 3.7Å; I260-Y332 HydrophobicContact CD1-CE2 3.76Å; I260-Y332 HydrophobicContact CD1-CG 4.26Å; I260-Y332 HydrophobicContact CG1-CE2 4.26Å; I260-Y332 HydrophobicContact CG2-CE2 3.66Å; I260-Y332 PolarHBondContact O-OH 3.41Å
261	R	95.2	Very high	87.9	Confident	34 Å²	34	45.4 Å²	45.4	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-20.1	178.8	-67.3	171.4	-68	-179.8	5.5	111.7	D259 D263 V264 W265 E326 R329 K331	D259-R261 VanDerWaalsContact CG-NE 3.25Å; D259-R261 PolarHBondContact O-N 3.32Å; D259-R261 VanDerWaalsContact O-N 3.07Å; D259-R261 WeakPolarHBondContact OD1-CB 3.44Å; D259-R261 VanDerWaalsContact OD1-CG 3.26Å; D259-R261 WeakPolarHBondContact OD1-CG 3.45Å; D259-R261 IonicContact OD1-CZ 2.65Å; D259-R261 PolarHBondContact OD1-N 3.2Å; D259-R261 IonicContact OD1-NE 2.75Å; D259-R261 PolarHBondContact OD1-NE 2.94Å; D259-R261 IonicContact OD1-NH2 3.36Å; D259-R261 IonicContact OD2-CZ 4Å; D259-R261 IonicContact OD2-NE 3.66Å; D259-R261 PolarHBondContact OD2-NE 3.38Å; D259-R261 IonicContact OD2-NH2 3.46Å; D259-R261 PolarHBondContact OD2-NH2 3.22Å; R261-D263 VanDerWaalsContact C-N 3.33Å; R261-V264 WeakPolarHBondContact O-CB 3.37Å; R261-V264 PolarHBondContact O-N 3.4Å; R261-W265 PolarHBondContact O-N 3.05Å; R261-W265 VanDerWaalsContact O-N 3.1Å; R261-E326 HydrophobicContact CB-CG 4.28Å; R261-E326 WeakPolarHBondContact CD-O 3.26Å; R261-E326 VanDerWaalsContact CZ-O 3.26Å; R261-E326 IonicContact CZ-OE1 2.85Å; R261-E326 PolarHBondContact NE-O 2.9Å; R261-E326 IonicContact NE-OE1 3.18Å; R261-E326 PolarHBondContact NH1-O 3.22Å; R261-E326 VanDerWaalsContact NH2-CD 3.34Å; R261-E326 IonicContact NH2-OE1 3.77Å; R261-E326 PolarHBondContact NH2-OE1 3.33Å; R261-R329 HydrophobicContact CB-CB 4.49Å; R261-R329 WeakPolarHBondContact CD-O 3.4Å; R261-R329 VanDerWaalsContact O-CD 3.23Å; R261-R329 WeakPolarHBondContact O-CD 3.41Å; R261-R329 PolarHBondContact O-NH1 3.02Å; R261-K331 HydrophobicContact CG-CG 4.02Å
262	A	93.6	Very high	88.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-40.3	169.7	0	0	0	0	0	111.9	A245 E247 R248 Y258 D259 I260 V264 W265 S266	A245-A262 HydrophobicContact CB-CB 3.94Å; E247-A262 WeakPolarHBondContact OE1-CA 3.27Å; R248-A262 VanDerWaalsContact CD-CB 3.47Å; R248-A262 HydrophobicContact CG-CB 3.97Å; Y258-A262 HydrophobicContact CD2-CB 4.13Å; D259-A262 WeakPolarHBondContact O-CB 3.26Å; D259-A262 PolarHBondContact O-N 3.22Å; D259-A262 VanDerWaalsContact O-N 3.1Å; I260-A262 PolarHBondContact O-N 2.82Å; A262-V264 VanDerWaalsContact C-N 3.29Å; A262-V264 PolarHBondContact O-N 2.84Å; A262-W265 WeakPolarHBondContact O-CB 3.49Å; A262-W265 PolarHBondContact O-N 2.69Å; A262-S266 PolarHBondContact O-N 3.48Å; A262-S266 VanDerWaalsContact O-N 3.11Å; A262-S266 PolarHBondContact O-OG 2.85Å; A262-S266 VanDerWaalsContact O-OG 3.13Å
263	D	95.5	Very high	89.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-29.1	175.4	-71.6	-17.3	0	0	0	111.7	L190 I200 H201 R202 V204 I260 R261 S266 L267 Y332	L190-D263 HydrophobicContact CD1-CB 4.45Å; L190-D263 HydrophobicContact CD2-CB 4.28Å; I200-D263 WeakPolarHBondContact CG2-OD2 3.44Å; H201-D263 WeakPolarHBondContact CA-OD2 3.44Å; H201-D263 WeakPolarHBondContact CB-OD2 3Å; H201-D263 PolarHBondContact N-OD2 3.42Å; R202-D263 WeakPolarHBondContact CA-OD1 3.34Å; R202-D263 PolarHBondContact N-OD1 2.93Å; R202-D263 PolarHBondContact N-OD2 3.31Å; V204-D263 HydrophobicContact CG2-CB 3.95Å; I260-D263 WeakPolarHBondContact O-CB 3.16Å; I260-D263 PolarHBondContact O-N 2.97Å; R261-D263 VanDerWaalsContact C-N 3.33Å; D263-S266 PolarHBondContact O-N 3.36Å; D263-L267 WeakPolarHBondContact O-CB 3.4Å; D263-L267 PolarHBondContact O-N 3.35Å; D263-Y332 WeakPolarHBondContact CB-OH 3.34Å; D263-Y332 PolarHBondContact OD2-OH 3.09Å
264	V	98.3	Very high	90.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-43.5	172.8	172.6	0	0	0	0	111	I260 R261 A262 L267 G268 C321 R329 Y332 L335	I260-V264 PolarHBondContact O-N 2.86Å; R261-V264 WeakPolarHBondContact O-CB 3.37Å; R261-V264 PolarHBondContact O-N 3.4Å; A262-V264 VanDerWaalsContact C-N 3.29Å; A262-V264 PolarHBondContact O-N 2.84Å; V264-L267 WeakPolarHBondContact O-CB 3.17Å; V264-L267 PolarHBondContact O-N 3.18Å; V264-G268 PolarHBondContact O-N 3.46Å; V264-C321 HydrophobicContact CG1-CB 3.94Å; V264-C321 WeakPolarHBondContact O-CB 3.38Å; V264-R329 HydrophobicContact CG1-CG 3.97Å; V264-Y332 HydrophobicContact CG2-CD1 3.77Å; V264-Y332 HydrophobicContact CG2-CE1 3.54Å; V264-L335 HydrophobicContact CB-CD1 4.42Å; V264-L335 HydrophobicContact CG1-CD1 3.82Å; V264-L335 HydrophobicContact CG2-CD1 3.84Å
265	W	98	Very high	91.6	Very high	1 Å²	1	31 Å²	31	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-47.2	173	173.4	-80.4	0	0	0	111.7	M244 A245 P246 R261 A262 L267 G268 I269 V294 P299 C321 L322 K324	M244-W265 PolarHBondContact O-NE1 3.36Å; A245-W265 VanDerWaalsContact CA-CD1 3.42Å; A245-W265 HydrophobicContact CB-CB 3.71Å; A245-W265 HydrophobicContact CB-CD2 4.47Å; A245-W265 HydrophobicContact CB-CG 3.74Å; P246-W265 HydrophobicContact CG-CD2 4.37Å; P246-W265 HydrophobicContact CG-CE3 4.15Å; P246-W265 HydrophobicContact CG-CH2 3.78Å; P246-W265 HydrophobicContact CG-CZ2 4.01Å; P246-W265 HydrophobicContact CG-CZ3 3.85Å; R261-W265 PolarHBondContact O-N 3.05Å; R261-W265 VanDerWaalsContact O-N 3.1Å; A262-W265 WeakPolarHBondContact O-CB 3.49Å; A262-W265 PolarHBondContact O-N 2.69Å; W265-L267 VanDerWaalsContact C-N 3.26Å; W265-L267 PolarHBondContact O-N 3.29Å; W265-G268 WeakPolarHBondContact O-CA 3.42Å; W265-G268 PolarHBondContact O-N 3.38Å; W265-I269 HydrophobicContact CZ2-CD1 4.21Å; W265-I269 PolarHBondContact O-N 3.15Å; W265-V294 HydrophobicContact CZ2-CG1 3.82Å; W265-P299 HydrophobicContact CH2-CB 4.08Å; W265-P299 HydrophobicContact CZ3-CB 4.43Å; W265-C321 WeakPolarHBondContact CA-O 3.49Å; W265-L322 HydrophobicContact CD2-CD2 4.1Å; W265-L322 HydrophobicContact CE3-CD2 4.19Å; W265-L322 HydrophobicContact CZ2-CD2 4.45Å; W265-L322 HydrophobicContact CZ3-CB 4.47Å; W265-L322 HydrophobicContact CZ3-CD2 4.43Å; W265-L322 WeakPolarHBondContact CZ3-O 3.4Å; W265-K324 HydrophobicContact CH2-CG 3.93Å; W265-K324 HydrophobicContact CZ3-CG 3.76Å
266	S	97.4	Very high	93	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-37.7	178.3	-57.4	0	0	0	0	112.2	V204 Y243 A262 D263 I269 T270	V204-S266 WeakPolarHBondContact O-CB 3.43Å; Y243-S266 WeakPolarHBondContact O-CA 3.27Å; Y243-S266 WeakPolarHBondContact O-CB 3.21Å; Y243-S266 PolarHBondContact O-OG 3.27Å; A262-S266 PolarHBondContact O-N 3.48Å; A262-S266 VanDerWaalsContact O-N 3.11Å; A262-S266 PolarHBondContact O-OG 2.85Å; A262-S266 VanDerWaalsContact O-OG 3.13Å; D263-S266 PolarHBondContact O-N 3.36Å; S266-I269 PolarHBondContact O-N 2.94Å; S266-T270 WeakPolarHBondContact O-CB 3.2Å; S266-T270 PolarHBondContact O-N 2.9Å; S266-T270 PolarHBondContact O-OG1 2.95Å
267	L	98.6	Very high	94.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-63.1	-42.6	170.2	175.2	62.2	0	0	0	112.1	T186 V187 V204 D263 V264 W265 I269 T270 L271 F317	T186-L267 HydrophobicContact CG2-CD1 3.93Å; V187-L267 HydrophobicContact CG2-CD2 3.58Å; V204-L267 HydrophobicContact CG1-CB 4.28Å; D263-L267 WeakPolarHBondContact O-CB 3.4Å; D263-L267 PolarHBondContact O-N 3.35Å; V264-L267 WeakPolarHBondContact O-CB 3.17Å; V264-L267 PolarHBondContact O-N 3.18Å; W265-L267 VanDerWaalsContact C-N 3.26Å; W265-L267 PolarHBondContact O-N 3.29Å; L267-I269 PolarHBondContact O-N 3.48Å; L267-T270 WeakPolarHBondContact O-CB 3.47Å; L267-T270 PolarHBondContact O-N 3.33Å; L267-L271 HydrophobicContact CD1-CD1 3.98Å; L267-L271 HydrophobicContact CD1-CG 4.02Å; L267-L271 HydrophobicContact CG-CD1 4.06Å; L267-L271 HydrophobicContact CG-CG 4.47Å; L267-L271 WeakPolarHBondContact O-CG 3.28Å; L267-L271 PolarHBondContact O-N 2.8Å; L267-F317 HydrophobicContact CD2-CZ 4.49Å
268	G	98.6	Very high	95.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-49	175	0	0	0	0	0	112.3	V264 W265 T270 L271 V272	V264-G268 PolarHBondContact O-N 3.46Å; W265-G268 WeakPolarHBondContact O-CA 3.42Å; W265-G268 PolarHBondContact O-N 3.38Å; G268-T270 VanDerWaalsContact C-N 3.34Å; G268-T270 PolarHBondContact O-N 3.35Å; G268-L271 PolarHBondContact O-N 2.99Å; G268-V272 WeakPolarHBondContact O-CG2 3.39Å; G268-V272 PolarHBondContact O-N 2.98Å
269	I	98.5	Very high	96.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-43	177.2	-61.8	-62.6	0	0	0	111	Y243 W265 S266 L267 L271 V272 E273 F279 P280 Y281 P300 L322	Y243-I269 HydrophobicContact CD1-CB 3.93Å; Y243-I269 HydrophobicContact CD1-CG2 3.43Å; Y243-I269 VanDerWaalsContact CD1-CG2 3.43Å; Y243-I269 HydrophobicContact CE1-CG2 3.83Å; Y243-I269 HydrophobicContact CG-CG2 4.32Å; W265-I269 HydrophobicContact CZ2-CD1 4.21Å; W265-I269 PolarHBondContact O-N 3.15Å; S266-I269 PolarHBondContact O-N 2.94Å; L267-I269 PolarHBondContact O-N 3.48Å; I269-L271 VanDerWaalsContact C-N 3.32Å; I269-L271 PolarHBondContact O-N 3.32Å; I269-V272 PolarHBondContact O-N 2.73Å; I269-E273 PolarHBondContact O-N 3.31Å; I269-F279 HydrophobicContact CG2-CD2 4.32Å; I269-F279 HydrophobicContact CG2-CE2 3.67Å; I269-F279 HydrophobicContact CG2-CZ 4.42Å; I269-P280 HydrophobicContact CD1-CG 4.17Å; I269-P280 HydrophobicContact CG2-CG 3.95Å; I269-Y281 HydrophobicContact CD1-CE2 3.84Å; I269-P300 HydrophobicContact CD1-CG 3.65Å; I269-L322 HydrophobicContact CD1-CD2 3.59Å; I269-L322 HydrophobicContact CG1-CD2 3.86Å
270	T	98.6	Very high	96.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56	-46.1	175.9	-63.7	0	0	0	0	111.6	L159 K205 P206 I209 S266 L267 G268 E273 V274	L159-T270 HydrophobicContact CD2-CG2 4.42Å; K205-T270 WeakPolarHBondContact CA-OG1 3.47Å; P206-T270 HydrophobicContact CG-CG2 3.93Å; I209-T270 HydrophobicContact CD1-CG2 3.89Å; S266-T270 WeakPolarHBondContact O-CB 3.2Å; S266-T270 PolarHBondContact O-N 2.9Å; S266-T270 PolarHBondContact O-OG1 2.95Å; L267-T270 WeakPolarHBondContact O-CB 3.47Å; L267-T270 PolarHBondContact O-N 3.33Å; G268-T270 VanDerWaalsContact C-N 3.34Å; G268-T270 PolarHBondContact O-N 3.35Å; T270-E273 PolarHBondContact O-N 2.76Å; T270-V274 WeakPolarHBondContact O-CB 3.39Å; T270-V274 VanDerWaalsContact O-CG2 3.29Å; T270-V274 WeakPolarHBondContact O-CG2 3.49Å; T270-V274 PolarHBondContact O-N 2.82Å
271	L	98.7	Very high	97.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-72.1	-35.5	-178.6	-70.1	173.2	0	0	0	112.4	A183 L267 G268 I269 A275 F317 V318	A183-L271 HydrophobicContact CB-CD1 4.37Å; L267-L271 HydrophobicContact CD1-CD1 3.98Å; L267-L271 HydrophobicContact CD1-CG 4.02Å; L267-L271 HydrophobicContact CG-CD1 4.06Å; L267-L271 HydrophobicContact CG-CG 4.47Å; L267-L271 WeakPolarHBondContact O-CG 3.28Å; L267-L271 PolarHBondContact O-N 2.8Å; G268-L271 PolarHBondContact O-N 2.99Å; I269-L271 VanDerWaalsContact C-N 3.32Å; I269-L271 PolarHBondContact O-N 3.32Å; L271-A275 WeakPolarHBondContact O-CB 3.44Å; L271-A275 PolarHBondContact O-N 2.72Å; L271-F317 HydrophobicContact CD1-CD1 3.98Å; L271-F317 HydrophobicContact CD1-CE1 3.64Å; L271-V318 HydrophobicContact CB-CG2 3.87Å; L271-V318 HydrophobicContact CD1-CG2 4.16Å
272	V	98.4	Very high	96.8	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.036	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-51.8	171.5	173	0	0	0	0	110.1	G268 I269 V274 A275 T276 P280 L302 V318 L322	G268-V272 WeakPolarHBondContact O-CG2 3.39Å; G268-V272 PolarHBondContact O-N 2.98Å; I269-V272 PolarHBondContact O-N 2.73Å; V272-V274 PolarHBondContact O-N 2.89Å; V272-A275 PolarHBondContact O-N 3.41Å; V272-T276 HydrophobicContact CG1-CG2 4.35Å; V272-T276 WeakPolarHBondContact O-CG2 2.99Å; V272-T276 PolarHBondContact O-N 2.88Å; V272-T276 PolarHBondContact O-OG1 2.93Å; V272-P280 HydrophobicContact CG1-CB 3.88Å; V272-P280 HydrophobicContact CG1-CG 4.21Å; V272-L302 HydrophobicContact CG1-CD2 4.26Å; V272-L302 HydrophobicContact CG2-CD2 4.27Å; V272-L302 HydrophobicContact CG2-CG 4.27Å; V272-V318 HydrophobicContact CG2-CG1 3.47Å; V272-V318 VanDerWaalsContact CG2-CG1 3.47Å; V272-L322 HydrophobicContact CG2-CD1 3.71Å
273	E	98.4	Very high	96.5	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-47.3	-178.7	173.4	-178.1	167.1	0	0	112.6	Y163 Y243 I269 T270 A275 T276 G277 Q278 F279	Y163-E273 HydrophobicContact CE1-CG 4.17Å; Y163-E273 WeakPolarHBondContact CE1-OE1 3.08Å; Y163-E273 HydrophobicContact CE2-CG 4.44Å; Y163-E273 VanDerWaalsContact CZ-OE1 3.25Å; Y163-E273 PolarHBondContact OH-OE1 2.87Å; Y243-E273 WeakPolarHBondContact CE1-OE2 3.5Å; Y243-E273 VanDerWaalsContact OH-CD 3.3Å; Y243-E273 PolarHBondContact OH-OE1 2.73Å; Y243-E273 PolarHBondContact OH-OE2 3.34Å; I269-E273 PolarHBondContact O-N 3.31Å; T270-E273 PolarHBondContact O-N 2.76Å; E273-A275 VanDerWaalsContact C-N 3.32Å; E273-A275 PolarHBondContact O-N 2.64Å; E273-T276 PolarHBondContact O-N 3.31Å; E273-G277 CarbonylContact O-C 3.3Å; E273-G277 VanDerWaalsContact O-CA 3.27Å; E273-G277 WeakPolarHBondContact O-CA 3.26Å; E273-G277 PolarHBondContact O-N 2.81Å; E273-Q278 WeakPolarHBondContact CA-O 3.27Å; E273-Q278 PolarHBondContact O-N 3.42Å; E273-F279 WeakPolarHBondContact OE2-CD2 3.27Å
274	V	98.2	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-33	-179	168.3	0	0	0	0	111.7	L159 Y163 F167 L174 M179 P206 T270 V272	L159-V274 HydrophobicContact CD1-CG1 4.09Å; L159-V274 HydrophobicContact CD1-CG2 4.27Å; L159-V274 HydrophobicContact CD2-CG1 4.5Å; L159-V274 HydrophobicContact CD2-CG2 3.78Å; L159-V274 HydrophobicContact CG-CG1 4.47Å; L159-V274 HydrophobicContact CG-CG2 3.78Å; Y163-V274 HydrophobicContact CD1-CG2 3.68Å; Y163-V274 HydrophobicContact CE1-CG2 4.28Å; Y163-V274 HydrophobicContact CG-CG2 4.16Å; F167-V274 WeakPolarHBondContact CE2-O 3.39Å; L174-V274 HydrophobicContact CB-CG1 4.37Å; L174-V274 HydrophobicContact CD2-CG1 3.24Å; L174-V274 HydrophobicContact CG-CG1 4.41Å; M179-V274 HydrophobicContact CG-CG1 4.11Å; M179-V274 HydrophobicContact SD-CG1 3.91Å; P206-V274 HydrophobicContact CB-CG2 4.36Å; P206-V274 HydrophobicContact CG-CG2 4.14Å; T270-V274 WeakPolarHBondContact O-CB 3.39Å; T270-V274 VanDerWaalsContact O-CG2 3.29Å; T270-V274 WeakPolarHBondContact O-CG2 3.49Å; T270-V274 PolarHBondContact O-N 2.82Å; V272-V274 PolarHBondContact O-N 2.89Å
275	A	97.8	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-73	-33.6	178.6	0	0	0	0	0	113	M179 L271 V272 E273 F310 F314	M179-A275 HydrophobicContact CE-CB 4.11Å; M179-A275 HydrophobicContact SD-CB 3.84Å; L271-A275 WeakPolarHBondContact O-CB 3.44Å; L271-A275 PolarHBondContact O-N 2.72Å; V272-A275 PolarHBondContact O-N 3.41Å; E273-A275 VanDerWaalsContact C-N 3.32Å; E273-A275 PolarHBondContact O-N 2.64Å; A275-F310 HydrophobicContact CB-CE2 3.75Å; A275-F310 HydrophobicContact CB-CZ 3.57Å; A275-F310 WeakPolarHBondContact O-CZ 3.49Å; A275-F314 HydrophobicContact CB-CE1 3.88Å; A275-F314 HydrophobicContact CB-CZ 3.93Å
276	T	96.5	Very high	94.8	Very high	28 Å²	28	36.2 Å²	36.2	17%	0.172	20%	0.202	C	C	.	.	H	α-helix	trans	-100.5	-14.8	-176.6	65.3	0	0	0	0	113.2	F167 V272 E273 Q278 L302 Y307	F167-T276 VanDerWaalsContact CE1-C 3.46Å; F167-T276 VanDerWaalsContact CE1-O 3.3Å; F167-T276 WeakPolarHBondContact CE1-O 3.48Å; F167-T276 VanDerWaalsContact CZ-C 3.47Å; V272-T276 HydrophobicContact CG1-CG2 4.35Å; V272-T276 WeakPolarHBondContact O-CG2 2.99Å; V272-T276 PolarHBondContact O-N 2.88Å; V272-T276 PolarHBondContact O-OG1 2.93Å; E273-T276 PolarHBondContact O-N 3.31Å; T276-Q278 PolarHBondContact O-N 3.31Å; T276-Q278 PolarHBondContact OG1-N 2.74Å; T276-Q278 PolarHBondContact OG1-O 3.05Å; T276-L302 HydrophobicContact CG2-CD2 4.23Å; T276-Y307 HydrophobicContact CG2-CE1 3.71Å; T276-Y307 HydrophobicContact CG2-CE2 4.46Å; T276-Y307 WeakPolarHBondContact CG2-OH 3.48Å
277	G	96.6	Very high	94.1	Very high	14 Å²	14	39 Å²	39	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	5	-173.2	0	0	0	0	0	113.8	F167 E273	F167-G277 VanDerWaalsContact CZ-N 3.26Å; E273-G277 CarbonylContact O-C 3.3Å; E273-G277 VanDerWaalsContact O-CA 3.27Å; E273-G277 WeakPolarHBondContact O-CA 3.26Å; E273-G277 PolarHBondContact O-N 2.81Å
278	Q	95.8	Very high	93.5	Very high	145 Å²	145	45.3 Å²	45.3	68%	0.678	25%	0.247	S	C	*	.	S	Bend	trans	-141.2	134.7	-174	-62.9	-176.1	8.5	0	0	111.4	E273 T276	E273-Q278 WeakPolarHBondContact CA-O 3.27Å; E273-Q278 PolarHBondContact O-N 3.42Å; T276-Q278 PolarHBondContact O-N 3.31Å; T276-Q278 PolarHBondContact OG1-N 2.74Å; T276-Q278 PolarHBondContact OG1-O 3.05Å
279	F	96.5	Very high	93	Very high	61 Å²	61	47.6 Å²	47.6	27%	0.268	26%	0.259	S	S	.	.			trans	-58.6	132.5	172.9	-175	-108.3	0	0	0	110	P242 Y243 I269 E273 Y281 W284	P242-F279 HydrophobicContact CB-CE1 4.48Å; P242-F279 HydrophobicContact CB-CE2 3.99Å; P242-F279 HydrophobicContact CB-CZ 3.72Å; Y243-F279 HydrophobicContact CD1-CE2 4.26Å; Y243-F279 HydrophobicContact CE1-CD2 4.18Å; Y243-F279 AromaticContact CE1-CE2 3.9Å; Y243-F279 HydrophobicContact CE1-CE2 3.9Å; Y243-F279 HydrophobicContact CE2-CE2 4.35Å; Y243-F279 AromaticContact CZ-CE2 3.94Å; I269-F279 HydrophobicContact CG2-CD2 4.32Å; I269-F279 HydrophobicContact CG2-CE2 3.67Å; I269-F279 HydrophobicContact CG2-CZ 4.42Å; E273-F279 WeakPolarHBondContact OE2-CD2 3.27Å; F279-Y281 VanDerWaalsContact CD1-O 3.26Å; F279-Y281 WeakPolarHBondContact CD1-O 3.43Å; F279-Y281 HydrophobicContact CE1-CD2 4.08Å; F279-Y281 HydrophobicContact CE1-CG 4.45Å; F279-Y281 HydrophobicContact CZ-CD2 4.09Å; F279-Y281 PolarHBondContact O-N 3.36Å; F279-Y281 VanDerWaalsContact O-N 3.16Å; F279-W284 HydrophobicContact CE1-CH2 4.11Å; F279-W284 HydrophobicContact CE1-CZ2 4.5Å; F279-W284 HydrophobicContact CZ-CH2 4.09Å
280	P	95.4	Very high	92.6	Very high	37 Å²	37	47.7 Å²	47.7	24%	0.24	26%	0.259	C	S	.	.	S	Bend	trans	-72.9	-10.3	-165.7	24.7	-34.6	0	0	0	115.6	I269 V272 P300	I269-P280 HydrophobicContact CD1-CG 4.17Å; I269-P280 HydrophobicContact CG2-CG 3.95Å; V272-P280 HydrophobicContact CG1-CB 3.88Å; V272-P280 HydrophobicContact CG1-CG 4.21Å; P280-P300 HydrophobicContact CB-CB 3.49Å; P280-P300 VanDerWaalsContact CB-CB 3.49Å; P280-P300 HydrophobicContact CB-CG 3.77Å; P280-P300 HydrophobicContact CG-CB 4.24Å; P280-P300 HydrophobicContact CG-CG 3.96Å
281	Y	94.3	Very high	92.1	Very high	25 Å²	25	50 Å²	50	10%	0.098	27%	0.272	C	S	.	.	S	Bend	trans	-115.9	146.6	179.4	-60.6	-73.5	0	0	0	110.9	I269 F279 W284 Q293 V294 P300	I269-Y281 HydrophobicContact CD1-CE2 3.84Å; F279-Y281 VanDerWaalsContact CD1-O 3.26Å; F279-Y281 WeakPolarHBondContact CD1-O 3.43Å; F279-Y281 HydrophobicContact CE1-CD2 4.08Å; F279-Y281 HydrophobicContact CE1-CG 4.45Å; F279-Y281 HydrophobicContact CZ-CD2 4.09Å; F279-Y281 PolarHBondContact O-N 3.36Å; F279-Y281 VanDerWaalsContact O-N 3.16Å; Y281-W284 HydrophobicContact CD2-CH2 4.34Å; Y281-W284 AromaticContact CD2-CZ2 3.88Å; Y281-W284 HydrophobicContact CD2-CZ2 3.88Å; Y281-W284 AromaticContact CG-CZ2 3.83Å; Y281-W284 HydrophobicContact CG-CZ2 3.83Å; Y281-Q293 HydrophobicContact CD1-CB 4.18Å; Y281-Q293 HydrophobicContact CE1-CB 4.32Å; Y281-V294 HydrophobicContact CD2-CG2 4.45Å; Y281-V294 HydrophobicContact CE1-CG2 4.33Å; Y281-V294 HydrophobicContact CE2-CG2 4Å; Y281-P300 HydrophobicContact CE2-CG 4.25Å; Y281-P300 VanDerWaalsContact OH-CD 3.27Å; Y281-P300 WeakPolarHBondContact OH-CD 3.29Å
282	P	89.8	Confident	91.6	Very high	69 Å²	69	55 Å²	55	45%	0.448	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-65	160.1	168.8	31	-36.4	0	0	0	110.6	W284 Q293	P282-W284 PolarHBondContact O-N 2.85Å; P282-Q293 VanDerWaalsContact CG-NE2 3.3Å
283	P	87.5	Confident	91.3	Very high	124 Å²	124	57.7 Å²	57.7	81%	0.805	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-54.2	136.1	171.4	-24.1	33.6	0	0	0	111.8
284	W	86.7	Confident	91	Very high	40 Å²	40	57.6 Å²	57.6	15%	0.152	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-92.3	136.4	176.5	-57.8	-54.8	0	0	0	110.8	C240 F279 Y281 P282 D289 Q290 V294	C240-W284 HydrophobicContact CB-CB 4.27Å; C240-W284 HydrophobicContact CB-CD2 4.33Å; C240-W284 HydrophobicContact CB-CE3 3.55Å; C240-W284 HydrophobicContact CB-CZ3 4.28Å; F279-W284 HydrophobicContact CE1-CH2 4.11Å; F279-W284 HydrophobicContact CE1-CZ2 4.5Å; F279-W284 HydrophobicContact CZ-CH2 4.09Å; Y281-W284 HydrophobicContact CD2-CH2 4.34Å; Y281-W284 AromaticContact CD2-CZ2 3.88Å; Y281-W284 HydrophobicContact CD2-CZ2 3.88Å; Y281-W284 AromaticContact CG-CZ2 3.83Å; Y281-W284 HydrophobicContact CG-CZ2 3.83Å; P282-W284 PolarHBondContact O-N 2.85Å; W284-D289 HydrophobicContact CB-CB 4.11Å; W284-D289 HydrophobicContact CG-CB 4.29Å; W284-Q290 HydrophobicContact CD2-CB 3.74Å; W284-Q290 HydrophobicContact CD2-CG 3.9Å; W284-Q290 HydrophobicContact CE3-CB 4.1Å; W284-Q290 HydrophobicContact CE3-CG 3.96Å; W284-Q290 HydrophobicContact CG-CB 3.97Å; W284-Q290 HydrophobicContact CH2-CG 3.87Å; W284-Q290 HydrophobicContact CZ2-CB 4.46Å; W284-Q290 HydrophobicContact CZ2-CG 3.85Å; W284-Q290 HydrophobicContact CZ3-CG 3.93Å; W284-V294 HydrophobicContact CH2-CG2 4.24Å; W284-V294 HydrophobicContact CZ2-CG2 3.72Å
285	N	83.9	Confident	90.6	Very high	158 Å²	158	57.8 Å²	57.8	85%	0.845	31%	0.308	S	S	*	.	S	Bend	trans	-86.5	-21.6	172.2	-60.2	-56.1	0	0	0	111.4	D289	N285-D289 WeakPolarHBondContact CA-OD2 3.26Å; N285-D289 WeakPolarHBondContact CB-OD2 3.48Å; N285-D289 PolarHBondContact N-OD2 3.35Å
286	S	84.6	Confident	90.3	Very high	45 Å²	45	62.8 Å²	62.8	32%	0.315	34%	0.335	S	S	.	.	S	Bend	trans	-150.8	160.9	-176.7	69	0	0	0	0	112.5	C240 F288 D289 Q290	C240-S286 PolarHBondContact SG-O 2.89Å; S286-F288 PolarHBondContact O-N 2.89Å; S286-F288 PolarHBondContact OG-N 3.26Å; S286-D289 PolarHBondContact N-OD2 3.41Å; S286-D289 WeakPolarHBondContact O-CB 3.45Å; S286-D289 PolarHBondContact O-N 2.84Å; S286-D289 VanDerWaalsContact OG-CG 3.26Å; S286-D289 PolarHBondContact OG-N 2.92Å; S286-D289 PolarHBondContact OG-OD2 2.86Å; S286-D289 VanDerWaalsContact OG-OD2 3.05Å; S286-Q290 PolarHBondContact O-N 3.3Å
287	V	83	Confident	90.1	Very high	60 Å²	60	62.8 Å²	62.8	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-59.6	-28	172.1	178.3	0	0	0	0	110.9	C240 Q290 L291	C240-V287 VanDerWaalsContact SG-CA 3.52Å; C240-V287 PolarHBondContact SG-N 3.49Å; V287-Q290 PolarHBondContact O-N 2.89Å; V287-L291 HydrophobicContact CG1-CD1 4.19Å; V287-L291 HydrophobicContact CG1-CG 4.45Å; V287-L291 WeakPolarHBondContact O-CB 3.41Å; V287-L291 WeakPolarHBondContact O-CG 3.4Å; V287-L291 PolarHBondContact O-N 3.45Å
288	F	85.7	Confident	90	Very high	134 Å²	134	69.1 Å²	69.1	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-64.4	-40.8	174.6	-175.6	-94.4	0	0	0	112.3	S286 Q290 L291 Q292	S286-F288 PolarHBondContact O-N 2.89Å; S286-F288 PolarHBondContact OG-N 3.26Å; F288-Q290 VanDerWaalsContact C-N 3.3Å; F288-Q290 PolarHBondContact O-N 2.81Å; F288-L291 WeakPolarHBondContact O-CB 3.44Å; F288-L291 PolarHBondContact O-N 3.43Å; F288-Q292 WeakPolarHBondContact O-CB 3.29Å; F288-Q292 PolarHBondContact O-N 3.32Å
289	D	88.9	Confident	90	Very high	47 Å²	47	63.5 Å²	63.5	25%	0.251	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.6	-55.3	-38.8	0	0	0	110.9	W284 N285 S286 Q292 Q293	W284-D289 HydrophobicContact CB-CB 4.11Å; W284-D289 HydrophobicContact CG-CB 4.29Å; N285-D289 WeakPolarHBondContact CA-OD2 3.26Å; N285-D289 WeakPolarHBondContact CB-OD2 3.48Å; N285-D289 PolarHBondContact N-OD2 3.35Å; S286-D289 PolarHBondContact N-OD2 3.41Å; S286-D289 WeakPolarHBondContact O-CB 3.45Å; S286-D289 PolarHBondContact O-N 2.84Å; S286-D289 VanDerWaalsContact OG-CG 3.26Å; S286-D289 PolarHBondContact OG-N 2.92Å; S286-D289 PolarHBondContact OG-OD2 2.86Å; S286-D289 VanDerWaalsContact OG-OD2 3.05Å; D289-Q292 PolarHBondContact O-N 3.5Å; D289-Q293 WeakPolarHBondContact O-CG 3.33Å; D289-Q293 PolarHBondContact O-N 3.41Å
290	Q	89.5	Confident	90	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.019	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-45	175.9	-172	178.9	20	0	0	111.6	C240 K241 I249 W284 S286 V287 F288 Q292 Q293 V294	C240-Q290 HydrophobicContact CB-CB 4.38Å; C240-Q290 VanDerWaalsContact CB-OE1 3.3Å; K241-Q290 PolarHBondContact O-NE2 2.96Å; I249-Q290 HydrophobicContact CD1-CG 3.97Å; W284-Q290 HydrophobicContact CD2-CB 3.74Å; W284-Q290 HydrophobicContact CD2-CG 3.9Å; W284-Q290 HydrophobicContact CE3-CB 4.1Å; W284-Q290 HydrophobicContact CE3-CG 3.96Å; W284-Q290 HydrophobicContact CG-CB 3.97Å; W284-Q290 HydrophobicContact CH2-CG 3.87Å; W284-Q290 HydrophobicContact CZ2-CB 4.46Å; W284-Q290 HydrophobicContact CZ2-CG 3.85Å; W284-Q290 HydrophobicContact CZ3-CG 3.93Å; S286-Q290 PolarHBondContact O-N 3.3Å; V287-Q290 PolarHBondContact O-N 2.89Å; F288-Q290 VanDerWaalsContact C-N 3.3Å; F288-Q290 PolarHBondContact O-N 2.81Å; Q290-Q292 VanDerWaalsContact C-N 3.34Å; Q290-Q292 PolarHBondContact O-N 3.04Å; Q290-Q293 PolarHBondContact O-N 3.5Å; Q290-V294 HydrophobicContact CG-CG2 3.92Å; Q290-V294 VanDerWaalsContact O-CB 3.28Å; Q290-V294 WeakPolarHBondContact O-CB 3.38Å; Q290-V294 WeakPolarHBondContact O-CG2 3.42Å; Q290-V294 PolarHBondContact O-N 2.67Å
291	L	87.4	Confident	90.1	Very high	49 Å²	49	63.7 Å²	63.7	26%	0.257	35%	0.349	S	S	.	.	I	π-helix	trans	-56.4	-48.5	172.8	-80.3	163	0	0	0	110.8	I249 D250 V287 F288 Q293 V295 N296	I249-L291 HydrophobicContact CB-CD2 4.47Å; I249-L291 HydrophobicContact CG2-CD2 3.49Å; I249-L291 VanDerWaalsContact CG2-CD2 3.49Å; I249-L291 HydrophobicContact CG2-CG 3.76Å; D250-L291 HydrophobicContact CB-CD2 4.03Å; V287-L291 HydrophobicContact CG1-CD1 4.19Å; V287-L291 HydrophobicContact CG1-CG 4.45Å; V287-L291 WeakPolarHBondContact O-CB 3.41Å; V287-L291 WeakPolarHBondContact O-CG 3.4Å; V287-L291 PolarHBondContact O-N 3.45Å; F288-L291 WeakPolarHBondContact O-CB 3.44Å; F288-L291 PolarHBondContact O-N 3.43Å; L291-Q293 PolarHBondContact O-N 3.21Å; L291-V295 HydrophobicContact CD2-CB 4.39Å; L291-V295 HydrophobicContact CD2-CG2 3.91Å; L291-V295 WeakPolarHBondContact O-CA 3.31Å; L291-V295 WeakPolarHBondContact O-CB 3.18Å; L291-V295 PolarHBondContact O-N 3.04Å; L291-N296 PolarHBondContact O-N 3.07Å; L291-N296 VanDerWaalsContact O-N 3.08Å
292	Q	89.6	Confident	90.2	Very high	104 Å²	104	62.6 Å²	62.6	49%	0.486	35%	0.345	S	S	.	.	I	π-helix	trans	-58.3	-47.6	179.9	-170.6	82.5	-2.4	0	0	111.5	F288 D289 Q290 N296 G297	F288-Q292 WeakPolarHBondContact O-CB 3.29Å; F288-Q292 PolarHBondContact O-N 3.32Å; D289-Q292 PolarHBondContact O-N 3.5Å; Q290-Q292 VanDerWaalsContact C-N 3.34Å; Q290-Q292 PolarHBondContact O-N 3.04Å; Q292-N296 CarbonylContact O-C 3.42Å; Q292-N296 WeakPolarHBondContact O-CB 3.35Å; Q292-N296 PolarHBondContact O-N 2.92Å; Q292-G297 PolarHBondContact O-N 3.38Å
293	Q	90.8	Very high	90.5	Very high	63 Å²	63	61.9 Å²	61.9	29%	0.294	34%	0.34	S	S	.	.	I	π-helix	trans	-81.8	-45.7	-174.4	-69.5	-177.2	-10.8	0	0	113.3	Y281 P282 D289 Q290 L291 G297	Y281-Q293 HydrophobicContact CD1-CB 4.18Å; Y281-Q293 HydrophobicContact CE1-CB 4.32Å; P282-Q293 VanDerWaalsContact CG-NE2 3.3Å; D289-Q293 WeakPolarHBondContact O-CG 3.33Å; D289-Q293 PolarHBondContact O-N 3.41Å; Q290-Q293 PolarHBondContact O-N 3.5Å; L291-Q293 PolarHBondContact O-N 3.21Å; Q293-G297 WeakPolarHBondContact O-CA 3.48Å; Q293-G297 PolarHBondContact O-N 3.45Å
294	V	92.7	Very high	90.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	32%	0.315	C	S	.	.	I	π-helix	trans	-83.4	-45.4	-174.2	-176.2	0	0	0	0	110.8	P246 I249 W265 Y281 W284 Q290 K324	P246-V294 HydrophobicContact CG-CG1 4.1Å; I249-V294 HydrophobicContact CD1-CB 3.75Å; I249-V294 HydrophobicContact CD1-CG1 3.54Å; I249-V294 HydrophobicContact CD1-CG2 4.26Å; W265-V294 HydrophobicContact CZ2-CG1 3.82Å; Y281-V294 HydrophobicContact CD2-CG2 4.45Å; Y281-V294 HydrophobicContact CE1-CG2 4.33Å; Y281-V294 HydrophobicContact CE2-CG2 4Å; W284-V294 HydrophobicContact CH2-CG2 4.24Å; W284-V294 HydrophobicContact CZ2-CG2 3.72Å; Q290-V294 HydrophobicContact CG-CG2 3.92Å; Q290-V294 VanDerWaalsContact O-CB 3.28Å; Q290-V294 WeakPolarHBondContact O-CB 3.38Å; Q290-V294 WeakPolarHBondContact O-CG2 3.42Å; Q290-V294 PolarHBondContact O-N 2.67Å; V294-K324 VanDerWaalsContact O-CE 3.25Å; V294-K324 WeakPolarHBondContact O-CE 3.31Å; V294-K324 PolarHBondContact O-NZ 3.27Å
295	V	90.3	Very high	91.3	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.024	34%	0.344	C	S	.	.	I	π-helix	trans	-86.2	-36.5	-175.3	-174.6	0	0	0	0	112.4	P246 I249 D250 K253 L291 K324	P246-V295 HydrophobicContact CB-CG2 4.21Å; I249-V295 HydrophobicContact CB-CG2 3.93Å; I249-V295 HydrophobicContact CD1-CG2 4.3Å; I249-V295 HydrophobicContact CG2-CG2 4.09Å; D250-V295 HydrophobicContact CB-CG1 3.98Å; D250-V295 HydrophobicContact CB-CG2 4.21Å; K253-V295 HydrophobicContact CD-CG1 4.48Å; K253-V295 VanDerWaalsContact CE-CG1 3.46Å; K253-V295 HydrophobicContact CG-CG1 4.22Å; L291-V295 HydrophobicContact CD2-CB 4.39Å; L291-V295 HydrophobicContact CD2-CG2 3.91Å; L291-V295 WeakPolarHBondContact O-CA 3.31Å; L291-V295 WeakPolarHBondContact O-CB 3.18Å; L291-V295 PolarHBondContact O-N 3.04Å; V295-K324 VanDerWaalsContact O-CE 3.31Å; V295-K324 WeakPolarHBondContact O-CE 3.37Å; V295-K324 PolarHBondContact O-NZ 3.23Å
296	N	91	Very high	91.8	Very high	106 Å²	106	62.3 Å²	62.3	57%	0.567	33%	0.332	S	S	*	.	I	π-helix	trans	-106.3	-28.3	-176.9	-60.2	-32.5	0	0	0	114.5	L291 Q292	L291-N296 PolarHBondContact O-N 3.07Å; L291-N296 VanDerWaalsContact O-N 3.08Å; Q292-N296 CarbonylContact O-C 3.42Å; Q292-N296 WeakPolarHBondContact O-CB 3.35Å; Q292-N296 PolarHBondContact O-N 2.92Å
297	G	93.1	Very high	92.3	Very high	27 Å²	27	62.5 Å²	62.5	28%	0.278	33%	0.327	S	S	.	.	S	Bend	trans	-80.4	175.8	179.5	0	0	0	0	0	114.4	Q292 Q293 K324	Q292-G297 PolarHBondContact O-N 3.38Å; Q293-G297 WeakPolarHBondContact O-CA 3.48Å; Q293-G297 PolarHBondContact O-N 3.45Å; G297-K324 PolarHBondContact O-NZ 3.1Å
298	D	94.3	Very high	92.8	Very high	147 Å²	147	64.3 Å²	64.3	79%	0.786	34%	0.34	S	S	*	.			trans	-71.7	145.4	176.7	-68.4	-37.8	0	0	0	111.6
299	P	96.1	Very high	93.2	Very high	27 Å²	27	62 Å²	62	18%	0.175	33%	0.329	C	S	.	.			trans	-66.6	150.7	172.1	27.5	-29.8	0	0	0	110.6	W265 L301 L322 K324	W265-P299 HydrophobicContact CH2-CB 4.08Å; W265-P299 HydrophobicContact CZ3-CB 4.43Å; P299-L301 HydrophobicContact CB-CD2 4.04Å; P299-L301 HydrophobicContact CB-CG 4.33Å; P299-L301 HydrophobicContact CG-CD1 4.22Å; P299-L301 HydrophobicContact CG-CD2 3.89Å; P299-L301 HydrophobicContact CG-CG 3.92Å; P299-L301 PolarHBondContact O-N 2.77Å; P299-L322 HydrophobicContact CB-CB 4.28Å; P299-L322 WeakPolarHBondContact CB-O 3.41Å; P299-K324 HydrophobicContact CB-CD 4.41Å; P299-K324 HydrophobicContact CB-CG 4.21Å; P299-K324 HydrophobicContact CG-CD 4.26Å; P299-K324 HydrophobicContact CG-CG 4.19Å
300	P	96.3	Very high	93.6	Very high	25 Å²	25	60.5 Å²	60.5	16%	0.162	32%	0.321	C	S	.	.			trans	-80.1	71.9	-176.7	32.8	-35.5	0	0	0	110.7	I269 P280 Y281 L322	I269-P300 HydrophobicContact CD1-CG 3.65Å; P280-P300 HydrophobicContact CB-CB 3.49Å; P280-P300 VanDerWaalsContact CB-CB 3.49Å; P280-P300 HydrophobicContact CB-CG 3.77Å; P280-P300 HydrophobicContact CG-CB 4.24Å; P280-P300 HydrophobicContact CG-CG 3.96Å; Y281-P300 HydrophobicContact CE2-CG 4.25Å; Y281-P300 VanDerWaalsContact OH-CD 3.27Å; Y281-P300 WeakPolarHBondContact OH-CD 3.29Å; P300-L322 HydrophobicContact CG-CD1 4.13Å; P300-L322 WeakPolarHBondContact O-CD1 3.15Å
301	L	96.8	Very high	94	Very high	78 Å²	78	61.7 Å²	61.7	41%	0.408	33%	0.33	S	S	.	.			trans	-74.9	143.7	-176.2	-56.8	-178.9	0	0	0	111.7	P299 N319 L322	P299-L301 HydrophobicContact CB-CD2 4.04Å; P299-L301 HydrophobicContact CB-CG 4.33Å; P299-L301 HydrophobicContact CG-CD1 4.22Å; P299-L301 HydrophobicContact CG-CD2 3.89Å; P299-L301 HydrophobicContact CG-CG 3.92Å; P299-L301 PolarHBondContact O-N 2.77Å; L301-N319 WeakPolarHBondContact CA-OD1 3.43Å; L301-N319 WeakPolarHBondContact CB-OD1 3.48Å; L301-N319 HydrophobicContact CD2-CB 3.97Å; L301-L322 HydrophobicContact CD2-CB 3.91Å; L301-L322 HydrophobicContact CD2-CD1 4.47Å
302	L	97	Very high	94.5	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	34%	0.339	C	S	.	.			trans	-79.6	137.7	168.3	-57.8	-179.7	0	0	0	109.2	V272 T276 Y307 F314 I315 V318 N319	V272-L302 HydrophobicContact CG1-CD2 4.26Å; V272-L302 HydrophobicContact CG2-CD2 4.27Å; V272-L302 HydrophobicContact CG2-CG 4.27Å; T276-L302 HydrophobicContact CG2-CD2 4.23Å; L302-Y307 HydrophobicContact CB-CD2 4.09Å; L302-Y307 HydrophobicContact CD2-CD2 3.66Å; L302-Y307 HydrophobicContact CD2-CE2 3.49Å; L302-Y307 VanDerWaalsContact CD2-CE2 3.49Å; L302-Y307 HydrophobicContact CD2-CG 4.43Å; L302-Y307 HydrophobicContact CG-CD2 4.45Å; L302-F314 HydrophobicContact CD1-CD1 4.14Å; L302-F314 HydrophobicContact CD1-CE1 3.65Å; L302-F314 HydrophobicContact CD1-CZ 4.39Å; L302-I315 HydrophobicContact CB-CG1 4.24Å; L302-I315 HydrophobicContact CB-CG2 4.34Å; L302-I315 VanDerWaalsContact O-CG2 3.31Å; L302-I315 WeakPolarHBondContact O-CG2 3.12Å; L302-V318 HydrophobicContact CD1-CB 4.12Å; L302-V318 HydrophobicContact CD1-CG1 3.96Å; L302-V318 HydrophobicContact CD1-CG2 4.15Å; L302-V318 HydrophobicContact CG-CG1 4.17Å; L302-N319 PolarHBondContact N-OD1 2.83Å; L302-N319 PolarHBondContact O-ND2 2.82Å
303	T	96.3	Very high	94.9	Very high	54 Å²	54	61 Å²	61	33%	0.331	33%	0.328	S	S	.	.			trans	-119.8	143.8	173.8	68.1	0	0	0	0	110.9	Q305 M306 Y307	T303-Q305 PolarHBondContact O-N 3.2Å; T303-M306 PolarHBondContact O-N 2.74Å; T303-M306 VanDerWaalsContact O-N 3.15Å; T303-M306 VanDerWaalsContact OG1-CB 3.31Å; T303-M306 WeakPolarHBondContact OG1-CB 3.46Å; T303-M306 PolarHBondContact OG1-N 3.47Å; T303-Y307 PolarHBondContact O-N 3.46Å
304	P	95.5	Very high	95.2	Very high	44 Å²	44	58 Å²	58	29%	0.286	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.9	177.4	-22.2	32	0	0	0	113.3	P308 M312 I315	P304-P308 WeakPolarHBondContact O-CA 3.33Å; P304-P308 WeakPolarHBondContact O-CB 3.3Å; P304-M312 HydrophobicContact CB-CE 3.94Å; P304-M312 HydrophobicContact CG-CE 3.4Å; P304-M312 VanDerWaalsContact CG-CE 3.4Å; P304-M312 HydrophobicContact CG-SD 3.86Å; P304-I315 HydrophobicContact CB-CD1 4.17Å; P304-I315 HydrophobicContact CG-CD1 3.86Å
305	Q	95.3	Very high	95.5	Very high	162 Å²	162	58.1 Å²	58.1	76%	0.757	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-40.7	177.5	-65.7	73.3	23.2	0	0	111.6	T303	T303-Q305 PolarHBondContact O-N 3.2Å
306	M	93.8	Very high	95.9	Very high	124 Å²	124	63.5 Å²	63.5	61%	0.611	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-33.5	179.6	-169.7	175.7	-71	0	0	111.9	T303 P308	T303-M306 PolarHBondContact O-N 2.74Å; T303-M306 VanDerWaalsContact O-N 3.15Å; T303-M306 VanDerWaalsContact OG1-CB 3.31Å; T303-M306 WeakPolarHBondContact OG1-CB 3.46Å; T303-M306 PolarHBondContact OG1-N 3.47Å; M306-P308 VanDerWaalsContact C-CD 3.46Å; M306-P308 WeakPolarHBondContact O-CD 3.39Å
307	Y	94.6	Very high	96.2	Very high	49 Å²	49	58.7 Å²	58.7	19%	0.192	31%	0.313	C	S	.	.			trans	-128.5	64.6	-176.2	-52.5	-73	0	0	0	112.1	T276 L302 T303 F309 F310	T276-Y307 HydrophobicContact CG2-CE1 3.71Å; T276-Y307 HydrophobicContact CG2-CE2 4.46Å; T276-Y307 WeakPolarHBondContact CG2-OH 3.48Å; L302-Y307 HydrophobicContact CB-CD2 4.09Å; L302-Y307 HydrophobicContact CD2-CD2 3.66Å; L302-Y307 HydrophobicContact CD2-CE2 3.49Å; L302-Y307 VanDerWaalsContact CD2-CE2 3.49Å; L302-Y307 HydrophobicContact CD2-CG 4.43Å; L302-Y307 HydrophobicContact CG-CD2 4.45Å; T303-Y307 PolarHBondContact O-N 3.46Å; Y307-F309 HydrophobicContact CD1-CE1 4.25Å; Y307-F309 HydrophobicContact CD1-CE2 4.5Å; Y307-F309 AromaticContact CD1-CZ 3.74Å; Y307-F309 HydrophobicContact CD1-CZ 3.74Å; Y307-F309 PolarHBondContact O-N 3.31Å; Y307-F309 VanDerWaalsContact O-N 3.11Å; Y307-F310 HydrophobicContact CD1-CE2 4.39Å; Y307-F310 HydrophobicContact CG-CD2 4.29Å; Y307-F310 HydrophobicContact CG-CE2 4.38Å; Y307-F310 PolarHBondContact O-N 3.21Å
308	P	94.3	Very high	96.5	Very high	98 Å²	98	57.4 Å²	57.4	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.8	-174.3	28.4	-36.9	0	0	0	114.2	P304 M306 F310	P304-P308 WeakPolarHBondContact O-CA 3.33Å; P304-P308 WeakPolarHBondContact O-CB 3.3Å; M306-P308 VanDerWaalsContact C-CD 3.46Å; M306-P308 WeakPolarHBondContact O-CD 3.39Å; P308-F310 VanDerWaalsContact C-N 3.34Å
309	F	93.4	Very high	96.7	Very high	85 Å²	85	52.1 Å²	52.1	37%	0.373	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.7	178.8	48.3	-93.5	0	0	0	113.4	R173 Y307	R173-F309 VanDerWaalsContact CD-CE2 3.48Å; Y307-F309 HydrophobicContact CD1-CE1 4.25Å; Y307-F309 HydrophobicContact CD1-CE2 4.5Å; Y307-F309 AromaticContact CD1-CZ 3.74Å; Y307-F309 HydrophobicContact CD1-CZ 3.74Å; Y307-F309 PolarHBondContact O-N 3.31Å; Y307-F309 VanDerWaalsContact O-N 3.11Å
310	F	96.9	Very high	96.8	Very high	17 Å²	17	52.4 Å²	52.4	8%	0.075	27%	0.274	C	S	.	.	S	Bend	trans	-93.9	145.3	173.2	-67.1	-45.9	0	0	0	112.2	E176 M179 A275 Y307 P308 F314 I315	E176-F310 HydrophobicContact CB-CD1 4.27Å; E176-F310 WeakPolarHBondContact OE2-CA 3.48Å; E176-F310 WeakPolarHBondContact OE2-CD1 3.48Å; M179-F310 HydrophobicContact CE-CD1 4.24Å; M179-F310 HydrophobicContact CE-CE1 3.37Å; M179-F310 HydrophobicContact CE-CZ 3.82Å; A275-F310 HydrophobicContact CB-CE2 3.75Å; A275-F310 HydrophobicContact CB-CZ 3.57Å; A275-F310 WeakPolarHBondContact O-CZ 3.49Å; Y307-F310 HydrophobicContact CD1-CE2 4.39Å; Y307-F310 HydrophobicContact CG-CD2 4.29Å; Y307-F310 HydrophobicContact CG-CE2 4.38Å; Y307-F310 PolarHBondContact O-N 3.21Å; P308-F310 VanDerWaalsContact C-N 3.34Å; F310-F314 HydrophobicContact CB-CD1 3.78Å; F310-F314 AromaticContact CD1-CD1 3.82Å; F310-F314 HydrophobicContact CD1-CD1 3.82Å; F310-F314 AromaticContact CD1-CE1 4Å; F310-F314 HydrophobicContact CD1-CE1 4Å; F310-F314 AromaticContact CD2-CD1 3.98Å; F310-F314 HydrophobicContact CD2-CD1 3.98Å; F310-F314 AromaticContact CD2-CE1 3.93Å; F310-F314 HydrophobicContact CD2-CE1 3.93Å; F310-F314 HydrophobicContact CE1-CD1 4.44Å; F310-F314 HydrophobicContact CE1-CE1 4.16Å; F310-F314 HydrophobicContact CE2-CE1 4.09Å; F310-F314 AromaticContact CG-CD1 3.59Å; F310-F314 HydrophobicContact CG-CD1 3.59Å; F310-F314 AromaticContact CG-CE1 3.91Å; F310-F314 HydrophobicContact CG-CE1 3.91Å; F310-F314 HydrophobicContact CZ-CE1 4.19Å; F310-I315 HydrophobicContact CB-CD1 4.35Å; F310-I315 HydrophobicContact CB-CG1 4.16Å
311	S	97.8	Very high	96.9	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.203	27%	0.267	C	S	.	.			trans	-65.9	152.2	173.6	77.3	0	0	0	0	111	E176 D313 F314 I315	E176-S311 WeakPolarHBondContact OE1-CB 3.41Å; E176-S311 PolarHBondContact OE1-OG 3.06Å; E176-S311 PolarHBondContact OE2-N 3.25Å; S311-D313 PolarHBondContact O-N 2.94Å; S311-F314 PolarHBondContact O-N 2.98Å; S311-F314 VanDerWaalsContact O-N 3.16Å; S311-F314 PolarHBondContact OG-N 3.01Å; S311-F314 VanDerWaalsContact OG-N 3.16Å; S311-I315 PolarHBondContact O-N 3.22Å; S311-I315 VanDerWaalsContact O-N 3.11Å
312	M	97.9	Very high	97	Very high	90 Å²	90	47.6 Å²	47.6	44%	0.443	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-31.7	175	-164.2	60.2	58.7	0	0	111.7	P304 I315 H316	P304-M312 HydrophobicContact CB-CE 3.94Å; P304-M312 HydrophobicContact CG-CE 3.4Å; P304-M312 VanDerWaalsContact CG-CE 3.4Å; P304-M312 HydrophobicContact CG-SD 3.86Å; M312-I315 PolarHBondContact O-N 3.05Å; M312-H316 VanDerWaalsContact CG-NE2 3.29Å; M312-H316 WeakPolarHBondContact CG-NE2 3.47Å; M312-H316 WeakPolarHBondContact O-CB 3.24Å; M312-H316 PolarHBondContact O-CD2 2.98Å; M312-H316 VanDerWaalsContact O-CG 3.28Å; M312-H316 PolarHBondContact O-N 2.82Å
313	D	98.1	Very high	97	Very high	49 Å²	49	50.4 Å²	50.4	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-41.4	176.1	-69.3	-28.4	0	0	0	111.4	S311 F317 F340	S311-D313 PolarHBondContact O-N 2.94Å; D313-F317 VanDerWaalsContact O-CB 3.3Å; D313-F317 WeakPolarHBondContact O-CB 3.4Å; D313-F317 PolarHBondContact O-N 2.88Å; D313-F340 HydrophobicContact CB-CB 4.19Å; D313-F340 HydrophobicContact CB-CD2 4.29Å
314	F	98.5	Very high	96.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-49.1	174.8	-179.4	-118.6	0	0	0	111.7	E176 M179 A275 L302 F310 S311 H316 F317 V318 F340	E176-F314 HydrophobicContact CG-CB 4.29Å; E176-F314 HydrophobicContact CG-CG 4.33Å; M179-F314 HydrophobicContact CB-CE2 4.49Å; M179-F314 HydrophobicContact CE-CE1 4.21Å; M179-F314 HydrophobicContact CE-CZ 4Å; M179-F314 HydrophobicContact SD-CZ 4.02Å; A275-F314 HydrophobicContact CB-CE1 3.88Å; A275-F314 HydrophobicContact CB-CZ 3.93Å; L302-F314 HydrophobicContact CD1-CD1 4.14Å; L302-F314 HydrophobicContact CD1-CE1 3.65Å; L302-F314 HydrophobicContact CD1-CZ 4.39Å; F310-F314 HydrophobicContact CB-CD1 3.78Å; F310-F314 AromaticContact CD1-CD1 3.82Å; F310-F314 HydrophobicContact CD1-CD1 3.82Å; F310-F314 AromaticContact CD1-CE1 4Å; F310-F314 HydrophobicContact CD1-CE1 4Å; F310-F314 AromaticContact CD2-CD1 3.98Å; F310-F314 HydrophobicContact CD2-CD1 3.98Å; F310-F314 AromaticContact CD2-CE1 3.93Å; F310-F314 HydrophobicContact CD2-CE1 3.93Å; F310-F314 HydrophobicContact CE1-CD1 4.44Å; F310-F314 HydrophobicContact CE1-CE1 4.16Å; F310-F314 HydrophobicContact CE2-CE1 4.09Å; F310-F314 AromaticContact CG-CD1 3.59Å; F310-F314 HydrophobicContact CG-CD1 3.59Å; F310-F314 AromaticContact CG-CE1 3.91Å; F310-F314 HydrophobicContact CG-CE1 3.91Å; F310-F314 HydrophobicContact CZ-CE1 4.19Å; S311-F314 PolarHBondContact O-N 2.98Å; S311-F314 VanDerWaalsContact O-N 3.16Å; S311-F314 PolarHBondContact OG-N 3.01Å; S311-F314 VanDerWaalsContact OG-N 3.16Å; F314-H316 VanDerWaalsContact C-N 3.34Å; F314-H316 PolarHBondContact O-N 2.92Å; F314-F317 WeakPolarHBondContact O-CB 3.45Å; F314-F317 PolarHBondContact O-N 3.05Å; F314-F317 VanDerWaalsContact O-N 3.16Å; F314-V318 HydrophobicContact CD1-CG2 4.46Å; F314-V318 HydrophobicContact CD2-CG2 3.93Å; F314-V318 HydrophobicContact CE1-CG2 4.11Å; F314-V318 HydrophobicContact CE2-CG2 3.53Å; F314-V318 HydrophobicContact CG-CG2 4.42Å; F314-V318 HydrophobicContact CZ-CG2 3.65Å; F314-V318 WeakPolarHBondContact O-CG2 3.45Å; F314-V318 PolarHBondContact O-N 2.85Å; F314-F340 HydrophobicContact CB-CD2 3.91Å; F314-F340 HydrophobicContact CB-CE2 3.56Å; F314-F340 HydrophobicContact CB-CZ 4.27Å; F314-F340 HydrophobicContact CD2-CD2 4.32Å; F314-F340 AromaticContact CD2-CE1 3.88Å; F314-F340 HydrophobicContact CD2-CE1 3.88Å; F314-F340 AromaticContact CD2-CE2 3.55Å; F314-F340 HydrophobicContact CD2-CE2 3.55Å; F314-F340 AromaticContact CD2-CZ 3.32Å; F314-F340 HydrophobicContact CD2-CZ 3.32Å; F314-F340 HydrophobicContact CE2-CE1 4.44Å; F314-F340 HydrophobicContact CE2-CZ 4.04Å; F314-F340 AromaticContact CG-CE2 3.98Å; F314-F340 HydrophobicContact CG-CE2 3.98Å; F314-F340 HydrophobicContact CG-CZ 4.2Å
315	I	98.4	Very high	96.8	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-47.1	179.7	-68.5	173.6	0	0	0	110.6	L302 P304 F310 S311 M312 F317 N319	L302-I315 HydrophobicContact CB-CG1 4.24Å; L302-I315 HydrophobicContact CB-CG2 4.34Å; L302-I315 VanDerWaalsContact O-CG2 3.31Å; L302-I315 WeakPolarHBondContact O-CG2 3.12Å; P304-I315 HydrophobicContact CB-CD1 4.17Å; P304-I315 HydrophobicContact CG-CD1 3.86Å; F310-I315 HydrophobicContact CB-CD1 4.35Å; F310-I315 HydrophobicContact CB-CG1 4.16Å; S311-I315 PolarHBondContact O-N 3.22Å; S311-I315 VanDerWaalsContact O-N 3.11Å; M312-I315 PolarHBondContact O-N 3.05Å; I315-F317 PolarHBondContact O-N 3.33Å; I315-N319 VanDerWaalsContact O-CB 3.24Å; I315-N319 WeakPolarHBondContact O-CB 3.38Å; I315-N319 PolarHBondContact O-N 2.84Å; I315-N319 PolarHBondContact O-ND2 2.78Å
316	H	98	Very high	96.7	Very high	117 Å²	117	45.1 Å²	45.1	54%	0.542	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-41.5	176.7	-73.6	-40.3	0	0	0	112.5	M312 F314 S320	M312-H316 VanDerWaalsContact CG-NE2 3.29Å; M312-H316 WeakPolarHBondContact CG-NE2 3.47Å; M312-H316 WeakPolarHBondContact O-CB 3.24Å; M312-H316 PolarHBondContact O-CD2 2.98Å; M312-H316 VanDerWaalsContact O-CG 3.28Å; M312-H316 PolarHBondContact O-N 2.82Å; F314-H316 VanDerWaalsContact C-N 3.34Å; F314-H316 PolarHBondContact O-N 2.92Å; H316-S320 VanDerWaalsContact O-CB 3.3Å; H316-S320 WeakPolarHBondContact O-CB 3.29Å; H316-S320 PolarHBondContact O-N 2.88Å; H316-S320 PolarHBondContact O-OG 2.89Å
317	F	98.7	Very high	96.6	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.022	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-54.1	177.7	-178.2	-96.3	0	0	0	111.4	A183 V187 L267 L271 D313 F314 I315 N319 S320 C321 L335 S338 F340 I341	A183-F317 HydrophobicContact CB-CE1 4.02Å; A183-F317 HydrophobicContact CB-CZ 4.39Å; V187-F317 HydrophobicContact CG2-CZ 4.04Å; L267-F317 HydrophobicContact CD2-CZ 4.49Å; L271-F317 HydrophobicContact CD1-CD1 3.98Å; L271-F317 HydrophobicContact CD1-CE1 3.64Å; D313-F317 VanDerWaalsContact O-CB 3.3Å; D313-F317 WeakPolarHBondContact O-CB 3.4Å; D313-F317 PolarHBondContact O-N 2.88Å; F314-F317 WeakPolarHBondContact O-CB 3.45Å; F314-F317 PolarHBondContact O-N 3.05Å; F314-F317 VanDerWaalsContact O-N 3.16Å; I315-F317 PolarHBondContact O-N 3.33Å; F317-N319 PolarHBondContact O-N 3.44Å; F317-S320 PolarHBondContact O-N 2.8Å; F317-S320 PolarHBondContact O-OG 3.21Å; F317-C321 PolarHBondContact O-N 2.95Å; F317-C321 PolarHBondContact O-SG 2.77Å; F317-L335 HydrophobicContact CD2-CD2 4.34Å; F317-L335 HydrophobicContact CE2-CB 4.14Å; F317-L335 HydrophobicContact CE2-CD2 3.78Å; F317-L335 HydrophobicContact CE2-CG 4.46Å; F317-L335 HydrophobicContact CZ-CD2 4.29Å; F317-S338 VanDerWaalsContact CD2-OG 3.29Å; F317-S338 WeakPolarHBondContact CD2-OG 3.36Å; F317-F340 HydrophobicContact CB-CB 3.81Å; F317-F340 HydrophobicContact CB-CD1 4Å; F317-F340 HydrophobicContact CB-CG 4.01Å; F317-F340 AromaticContact CD1-CD1 3.8Å; F317-F340 HydrophobicContact CD1-CD1 3.8Å; F317-F340 HydrophobicContact CD1-CE1 4.23Å; F317-F340 HydrophobicContact CD2-CB 4.22Å; F317-F340 HydrophobicContact CD2-CD1 4.19Å; F317-F340 HydrophobicContact CE1-CD1 4.34Å; F317-F340 HydrophobicContact CG-CB 4.11Å; F317-F340 AromaticContact CG-CD1 3.72Å; F317-F340 HydrophobicContact CG-CD1 3.72Å; F317-F340 HydrophobicContact CG-CG 4.19Å; F317-I341 HydrophobicContact CD2-CG1 4.16Å; F317-I341 HydrophobicContact CE2-CD1 3.89Å; F317-I341 HydrophobicContact CE2-CG1 3.46Å; F317-I341 VanDerWaalsContact CE2-CG1 3.46Å; F317-I341 HydrophobicContact CZ-CD1 3.82Å; F317-I341 HydrophobicContact CZ-CG1 3.94Å
318	V	98.6	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-47	179.5	174.3	0	0	0	0	111.2	L271 V272 L302 F314 S320 C321 L322	L271-V318 HydrophobicContact CB-CG2 3.87Å; L271-V318 HydrophobicContact CD1-CG2 4.16Å; V272-V318 HydrophobicContact CG2-CG1 3.47Å; V272-V318 VanDerWaalsContact CG2-CG1 3.47Å; L302-V318 HydrophobicContact CD1-CB 4.12Å; L302-V318 HydrophobicContact CD1-CG1 3.96Å; L302-V318 HydrophobicContact CD1-CG2 4.15Å; L302-V318 HydrophobicContact CG-CG1 4.17Å; F314-V318 HydrophobicContact CD1-CG2 4.46Å; F314-V318 HydrophobicContact CD2-CG2 3.93Å; F314-V318 HydrophobicContact CE1-CG2 4.11Å; F314-V318 HydrophobicContact CE2-CG2 3.53Å; F314-V318 HydrophobicContact CG-CG2 4.42Å; F314-V318 HydrophobicContact CZ-CG2 3.65Å; F314-V318 WeakPolarHBondContact O-CG2 3.45Å; F314-V318 PolarHBondContact O-N 2.85Å; V318-S320 VanDerWaalsContact C-N 3.29Å; V318-S320 PolarHBondContact O-N 2.79Å; V318-C321 WeakPolarHBondContact O-CB 3.42Å; V318-C321 PolarHBondContact O-N 2.84Å; V318-C321 VanDerWaalsContact O-N 3.11Å; V318-L322 HydrophobicContact CG1-CD1 4.16Å; V318-L322 PolarHBondContact O-N 3.26Å
319	N	98.4	Very high	96.8	Very high	35 Å²	35	44.9 Å²	44.9	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-31.5	-179.2	-69.1	-8.5	0	0	0	112.3	L301 L302 I315 F317 C321 L322	L301-N319 WeakPolarHBondContact CA-OD1 3.43Å; L301-N319 WeakPolarHBondContact CB-OD1 3.48Å; L301-N319 HydrophobicContact CD2-CB 3.97Å; L302-N319 PolarHBondContact N-OD1 2.83Å; L302-N319 PolarHBondContact O-ND2 2.82Å; I315-N319 VanDerWaalsContact O-CB 3.24Å; I315-N319 WeakPolarHBondContact O-CB 3.38Å; I315-N319 PolarHBondContact O-N 2.84Å; I315-N319 PolarHBondContact O-ND2 2.78Å; F317-N319 PolarHBondContact O-N 3.44Å; N319-C321 VanDerWaalsContact C-N 3.32Å; N319-L322 PolarHBondContact O-N 3.32Å
320	S	98.4	Very high	97	Very high	34 Å²	34	41.5 Å²	41.5	24%	0.238	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-34.2	173.6	77.9	0	0	0	0	112.5	H316 F317 V318 L322 I323 P330	H316-S320 VanDerWaalsContact O-CB 3.3Å; H316-S320 WeakPolarHBondContact O-CB 3.29Å; H316-S320 PolarHBondContact O-N 2.88Å; H316-S320 PolarHBondContact O-OG 2.89Å; F317-S320 PolarHBondContact O-N 2.8Å; F317-S320 PolarHBondContact O-OG 3.21Å; V318-S320 VanDerWaalsContact C-N 3.29Å; V318-S320 PolarHBondContact O-N 2.79Å; S320-L322 VanDerWaalsContact C-N 3.27Å; S320-L322 PolarHBondContact O-N 2.83Å; S320-I323 WeakPolarHBondContact O-CD1 3.33Å; S320-I323 WeakPolarHBondContact O-CG1 3.13Å; S320-P330 WeakPolarHBondContact O-CD 3.36Å
321	C	98.6	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-28.7	174.3	-65.7	0	0	0	0	112.4	V264 W265 F317 V318 N319 R329	V264-C321 HydrophobicContact CG1-CB 3.94Å; V264-C321 WeakPolarHBondContact O-CB 3.38Å; W265-C321 WeakPolarHBondContact CA-O 3.49Å; F317-C321 PolarHBondContact O-N 2.95Å; F317-C321 PolarHBondContact O-SG 2.77Å; V318-C321 WeakPolarHBondContact O-CB 3.42Å; V318-C321 PolarHBondContact O-N 2.84Å; V318-C321 VanDerWaalsContact O-N 3.11Å; N319-C321 VanDerWaalsContact C-N 3.32Å; C321-R329 WeakPolarHBondContact O-CD 3.22Å
322	L	98.3	Very high	97	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	20.5	-176	-63.9	177.8	0	0	0	113.9	W265 I269 V272 P299 P300 L301 V318 N319 S320 K324	W265-L322 HydrophobicContact CD2-CD2 4.1Å; W265-L322 HydrophobicContact CE3-CD2 4.19Å; W265-L322 HydrophobicContact CZ2-CD2 4.45Å; W265-L322 HydrophobicContact CZ3-CB 4.47Å; W265-L322 HydrophobicContact CZ3-CD2 4.43Å; W265-L322 WeakPolarHBondContact CZ3-O 3.4Å; I269-L322 HydrophobicContact CD1-CD2 3.59Å; I269-L322 HydrophobicContact CG1-CD2 3.86Å; V272-L322 HydrophobicContact CG2-CD1 3.71Å; P299-L322 HydrophobicContact CB-CB 4.28Å; P299-L322 WeakPolarHBondContact CB-O 3.41Å; P300-L322 HydrophobicContact CG-CD1 4.13Å; P300-L322 WeakPolarHBondContact O-CD1 3.15Å; L301-L322 HydrophobicContact CD2-CB 3.91Å; L301-L322 HydrophobicContact CD2-CD1 4.47Å; V318-L322 HydrophobicContact CG1-CD1 4.16Å; V318-L322 PolarHBondContact O-N 3.26Å; N319-L322 PolarHBondContact O-N 3.32Å; S320-L322 VanDerWaalsContact C-N 3.27Å; S320-L322 PolarHBondContact O-N 2.83Å; L322-K324 PolarHBondContact O-N 3.02Å
323	I	97.4	Very high	97	Very high	61 Å²	61	43 Å²	43	31%	0.313	22%	0.215	S	C	.	.			trans	-67.2	121.1	170.1	-64.5	171.8	0	0	0	108.8	S320 D325 Q328 R329	S320-I323 WeakPolarHBondContact O-CD1 3.33Å; S320-I323 WeakPolarHBondContact O-CG1 3.13Å; I323-D325 HydrophobicContact CG2-CB 4.45Å; I323-Q328 HydrophobicContact CG2-CB 3.75Å; I323-R329 HydrophobicContact CB-CB 4.28Å; I323-R329 HydrophobicContact CB-CG 4.45Å; I323-R329 PolarHBondContact O-NE 3.4Å; I323-R329 PolarHBondContact O-NH2 3.12Å; I323-R329 VanDerWaalsContact O-NH2 3.12Å
324	K	94.3	Very high	97	Very high	54 Å²	54	46 Å²	46	24%	0.235	23%	0.228	C	C	.	.	S	Bend	trans	-69.3	-39	-176.5	-71.1	-172.4	60.3	156.8	0	113.4	P246 W265 V294 V295 G297 P299 L322 E326 R329	P246-K324 HydrophobicContact CG-CG 4.47Å; W265-K324 HydrophobicContact CH2-CG 3.93Å; W265-K324 HydrophobicContact CZ3-CG 3.76Å; V294-K324 VanDerWaalsContact O-CE 3.25Å; V294-K324 WeakPolarHBondContact O-CE 3.31Å; V294-K324 PolarHBondContact O-NZ 3.27Å; V295-K324 VanDerWaalsContact O-CE 3.31Å; V295-K324 WeakPolarHBondContact O-CE 3.37Å; V295-K324 PolarHBondContact O-NZ 3.23Å; G297-K324 PolarHBondContact O-NZ 3.1Å; P299-K324 HydrophobicContact CB-CD 4.41Å; P299-K324 HydrophobicContact CB-CG 4.21Å; P299-K324 HydrophobicContact CG-CD 4.26Å; P299-K324 HydrophobicContact CG-CG 4.19Å; L322-K324 PolarHBondContact O-N 3.02Å; K324-E326 PolarHBondContact O-N 3.42Å; K324-E326 VanDerWaalsContact O-N 3.16Å; K324-R329 PolarHBondContact O-NH2 3.42Å
325	D	92.8	Very high	97	Very high	86 Å²	86	46.1 Å²	46.1	46%	0.46	23%	0.229	S	C	.	.	S	Bend	trans	-67.8	110.6	173.6	-175.1	-7.8	0	0	0	109.6	I323 E327 Q328 R329	I323-D325 HydrophobicContact CG2-CB 4.45Å; D325-E327 PolarHBondContact O-N 3.19Å; D325-E327 PolarHBondContact OD1-N 2.89Å; D325-Q328 HydrophobicContact CB-CB 4.24Å; D325-Q328 HydrophobicContact CB-CG 4.11Å; D325-Q328 PolarHBondContact O-N 2.87Å; D325-Q328 VanDerWaalsContact O-N 3.1Å; D325-Q328 WeakPolarHBondContact OD2-CG 3.45Å; D325-R329 PolarHBondContact O-N 3.28Å
326	E	93.3	Very high	97	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.047	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.8	179.4	-165.5	-158.2	158.7	0	0	111.3	E247 S254 R261 K324 Q328 R329	E247-E326 HydrophobicContact CG-CB 4.45Å; E247-E326 HydrophobicContact CG-CG 4.09Å; S254-E326 WeakPolarHBondContact CB-OE2 3.36Å; S254-E326 PolarHBondContact OG-OE2 3.09Å; R261-E326 HydrophobicContact CB-CG 4.28Å; R261-E326 WeakPolarHBondContact CD-O 3.26Å; R261-E326 VanDerWaalsContact CZ-O 3.26Å; R261-E326 IonicContact CZ-OE1 2.85Å; R261-E326 PolarHBondContact NE-O 2.9Å; R261-E326 IonicContact NE-OE1 3.18Å; R261-E326 PolarHBondContact NH1-O 3.22Å; R261-E326 VanDerWaalsContact NH2-CD 3.34Å; R261-E326 IonicContact NH2-OE1 3.77Å; R261-E326 PolarHBondContact NH2-OE1 3.33Å; K324-E326 PolarHBondContact O-N 3.42Å; K324-E326 VanDerWaalsContact O-N 3.16Å; E326-Q328 VanDerWaalsContact C-N 3.28Å; E326-Q328 PolarHBondContact O-N 2.69Å; E326-R329 PolarHBondContact O-N 2.9Å
327	E	92.5	Very high	97	Very high	132 Å²	132	49 Å²	49	62%	0.617	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-26.9	-177.9	-67.4	-171.3	173.9	0	0	113.3	D325	D325-E327 PolarHBondContact O-N 3.19Å; D325-E327 PolarHBondContact OD1-N 2.89Å
328	Q	95.4	Very high	97	Very high	130 Å²	130	50 Å²	50	61%	0.607	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-17.7	178.6	-59.2	-57.5	-41.1	0	0	113	I323 D325 E326	I323-Q328 HydrophobicContact CG2-CB 3.75Å; D325-Q328 HydrophobicContact CB-CB 4.24Å; D325-Q328 HydrophobicContact CB-CG 4.11Å; D325-Q328 PolarHBondContact O-N 2.87Å; D325-Q328 VanDerWaalsContact O-N 3.1Å; D325-Q328 WeakPolarHBondContact OD2-CG 3.45Å; E326-Q328 VanDerWaalsContact C-N 3.28Å; E326-Q328 PolarHBondContact O-N 2.69Å
329	R	97.2	Very high	96.9	Very high	3 Å²	3	57.4 Å²	57.4	1%	0.011	28%	0.283	C	S	.	.	S	Bend	trans	-67.9	129.4	177.9	-163.2	-175.4	-56	145.2	8.7	109.9	E247 R261 V264 C321 I323 K324 D325 E326	E247-R329 IonicContact OE1-CZ 3.74Å; E247-R329 IonicContact OE1-NH1 2.67Å; E247-R329 PolarHBondContact OE1-NH1 3.3Å; E247-R329 IonicContact OE1-NH2 2.81Å; E247-R329 IonicContact OE2-CZ 2.72Å; E247-R329 IonicContact OE2-NH1 2.74Å; E247-R329 PolarHBondContact OE2-NH1 3.13Å; E247-R329 IonicContact OE2-NH2 2.64Å; E247-R329 PolarHBondContact OE2-NH2 3.15Å; R261-R329 HydrophobicContact CB-CB 4.49Å; R261-R329 WeakPolarHBondContact CD-O 3.4Å; R261-R329 VanDerWaalsContact O-CD 3.23Å; R261-R329 WeakPolarHBondContact O-CD 3.41Å; R261-R329 PolarHBondContact O-NH1 3.02Å; V264-R329 HydrophobicContact CG1-CG 3.97Å; C321-R329 WeakPolarHBondContact O-CD 3.22Å; I323-R329 HydrophobicContact CB-CB 4.28Å; I323-R329 HydrophobicContact CB-CG 4.45Å; I323-R329 PolarHBondContact O-NE 3.4Å; I323-R329 PolarHBondContact O-NH2 3.12Å; I323-R329 VanDerWaalsContact O-NH2 3.12Å; K324-R329 PolarHBondContact O-NH2 3.42Å; D325-R329 PolarHBondContact O-N 3.28Å; E326-R329 PolarHBondContact O-N 2.9Å
330	P	97.7	Very high	96.9	Very high	15 Å²	15	55.8 Å²	55.8	10%	0.097	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-65.2	149.5	-175.1	27.3	-35.9	0	0	0	112	S320 Q334 L335	S320-P330 WeakPolarHBondContact O-CD 3.36Å; P330-Q334 VanDerWaalsContact CA-OE1 3.3Å; P330-Q334 HydrophobicContact CB-CB 3.92Å; P330-L335 HydrophobicContact CB-CD2 4.1Å; P330-L335 HydrophobicContact CB-CG 4.25Å; P330-L335 HydrophobicContact CG-CD2 3.55Å; P330-L335 HydrophobicContact CG-CG 4.1Å
331	K	97.5	Very high	96.9	Very high	88 Å²	88	54.2 Å²	54.2	38%	0.383	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-84	169.1	166.4	-67	-175	176.1	-174.4	0	110.6	D259 I260 R261 T333 Q334 L335	D259-K331 IonicContact OD2-NZ 3.36Å; I260-K331 HydrophobicContact CD1-CB 4.06Å; I260-K331 HydrophobicContact CD1-CD 4.25Å; I260-K331 HydrophobicContact CD1-CG 4.07Å; R261-K331 HydrophobicContact CG-CG 4.02Å; K331-T333 VanDerWaalsContact C-N 3.28Å; K331-T333 PolarHBondContact O-N 3.03Å; K331-Q334 PolarHBondContact O-N 3.03Å; K331-Q334 VanDerWaalsContact O-N 3.1Å; K331-L335 PolarHBondContact O-N 3.02Å; K331-L335 VanDerWaalsContact O-N 3.1Å
332	Y	98	Very high	96.9	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-38.8	-177.3	-52.6	-43.6	0	0	0	113.8	L190 N191 K194 I260 D263 V264 Q334 L335 L336	L190-Y332 HydrophobicContact CB-CD1 4.15Å; L190-Y332 HydrophobicContact CB-CD2 4.39Å; L190-Y332 HydrophobicContact CB-CE1 3.7Å; L190-Y332 HydrophobicContact CB-CE2 3.94Å; L190-Y332 HydrophobicContact CB-CG 4.48Å; L190-Y332 HydrophobicContact CD1-CE1 3.9Å; L190-Y332 HydrophobicContact CG-CE1 4.36Å; L190-Y332 WeakPolarHBondContact O-CE2 3.39Å; N191-Y332 HydrophobicContact CB-CD2 4.31Å; N191-Y332 HydrophobicContact CB-CG 4.4Å; K194-Y332 HydrophobicContact CB-CD2 4.15Å; K194-Y332 HydrophobicContact CB-CE2 3.87Å; K194-Y332 HydrophobicContact CG-CD2 4.44Å; K194-Y332 HydrophobicContact CG-CE2 4.37Å; I260-Y332 HydrophobicContact CB-CD2 4.41Å; I260-Y332 HydrophobicContact CB-CE1 4.46Å; I260-Y332 HydrophobicContact CB-CE2 3.58Å; I260-Y332 WeakPolarHBondContact CB-OH 3.41Å; I260-Y332 HydrophobicContact CD1-CD2 3.7Å; I260-Y332 HydrophobicContact CD1-CE2 3.76Å; I260-Y332 HydrophobicContact CD1-CG 4.26Å; I260-Y332 HydrophobicContact CG1-CE2 4.26Å; I260-Y332 HydrophobicContact CG2-CE2 3.66Å; I260-Y332 PolarHBondContact O-OH 3.41Å; D263-Y332 WeakPolarHBondContact CB-OH 3.34Å; D263-Y332 PolarHBondContact OD2-OH 3.09Å; V264-Y332 HydrophobicContact CG2-CD1 3.77Å; V264-Y332 HydrophobicContact CG2-CE1 3.54Å; Y332-Q334 VanDerWaalsContact C-N 3.32Å; Y332-Q334 PolarHBondContact O-N 3.3Å; Y332-L335 PolarHBondContact O-N 2.94Å; Y332-L335 VanDerWaalsContact O-N 3.17Å; Y332-L336 VanDerWaalsContact O-CG 3.31Å; Y332-L336 WeakPolarHBondContact O-CG 3.5Å; Y332-L336 PolarHBondContact O-N 2.91Å
333	T	97	Very high	96.9	Very high	75 Å²	75	61.9 Å²	61.9	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-58.6	-43.4	177.6	49.9	0	0	0	0	112.1	K331 L336 E337	K331-T333 VanDerWaalsContact C-N 3.28Å; K331-T333 PolarHBondContact O-N 3.03Å; T333-L336 PolarHBondContact O-N 2.87Å; T333-E337 WeakPolarHBondContact O-CG 3.42Å; T333-E337 PolarHBondContact O-N 2.84Å
334	Q	97.8	Very high	97	Very high	113 Å²	113	59.1 Å²	59.1	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-69	-37	176.6	-65.1	171.6	-59.5	0	0	112	P330 K331 Y332 E337 S338	P330-Q334 VanDerWaalsContact CA-OE1 3.3Å; P330-Q334 HydrophobicContact CB-CB 3.92Å; K331-Q334 PolarHBondContact O-N 3.03Å; K331-Q334 VanDerWaalsContact O-N 3.1Å; Y332-Q334 VanDerWaalsContact C-N 3.32Å; Y332-Q334 PolarHBondContact O-N 3.3Å; Q334-E337 PolarHBondContact O-N 2.86Å; Q334-S338 PolarHBondContact O-N 3.42Å
335	L	98.4	Very high	97.1	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-40.7	174.6	-67.9	178.1	0	0	0	111.9	V187 V264 F317 P330 K331 Y332 E337 S338 I341	V187-L335 HydrophobicContact CG1-CB 3.96Å; V187-L335 HydrophobicContact CG2-CB 4.48Å; V187-L335 HydrophobicContact CG2-CD1 4.35Å; V264-L335 HydrophobicContact CB-CD1 4.42Å; V264-L335 HydrophobicContact CG1-CD1 3.82Å; V264-L335 HydrophobicContact CG2-CD1 3.84Å; F317-L335 HydrophobicContact CD2-CD2 4.34Å; F317-L335 HydrophobicContact CE2-CB 4.14Å; F317-L335 HydrophobicContact CE2-CD2 3.78Å; F317-L335 HydrophobicContact CE2-CG 4.46Å; F317-L335 HydrophobicContact CZ-CD2 4.29Å; P330-L335 HydrophobicContact CB-CD2 4.1Å; P330-L335 HydrophobicContact CB-CG 4.25Å; P330-L335 HydrophobicContact CG-CD2 3.55Å; P330-L335 HydrophobicContact CG-CG 4.1Å; K331-L335 PolarHBondContact O-N 3.02Å; K331-L335 VanDerWaalsContact O-N 3.1Å; Y332-L335 PolarHBondContact O-N 2.94Å; Y332-L335 VanDerWaalsContact O-N 3.17Å; L335-E337 PolarHBondContact O-N 2.78Å; L335-S338 WeakPolarHBondContact O-CB 3.28Å; L335-S338 PolarHBondContact O-N 2.81Å; L335-S338 PolarHBondContact O-OG 3.41Å; L335-I341 VanDerWaalsContact O-CG1 3.28Å; L335-I341 WeakPolarHBondContact O-CG1 3.11Å
336	L	98.3	Very high	97.3	Very high	36 Å²	36	66.1 Å²	66.1	19%	0.188	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-26.7	177.3	-72.6	169.4	0	0	0	112.7	V187 K188 N191 Y332 T333 I341	V187-L336 HydrophobicContact CB-CD2 4.34Å; V187-L336 HydrophobicContact CG1-CD2 3.67Å; V187-L336 HydrophobicContact CG1-CG 3.72Å; K188-L336 HydrophobicContact CG-CD2 3.76Å; N191-L336 HydrophobicContact CB-CD1 4.08Å; Y332-L336 VanDerWaalsContact O-CG 3.31Å; Y332-L336 WeakPolarHBondContact O-CG 3.5Å; Y332-L336 PolarHBondContact O-N 2.91Å; T333-L336 PolarHBondContact O-N 2.87Å; L336-I341 HydrophobicContact CD2-CG2 4.29Å
337	E	98	Very high	97.5	Very high	145 Å²	145	68.3 Å²	68.3	68%	0.678	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.9	176.8	-67	172	-178.5	0	0	113.4	T333 Q334 L335 L342	T333-E337 WeakPolarHBondContact O-CG 3.42Å; T333-E337 PolarHBondContact O-N 2.84Å; Q334-E337 PolarHBondContact O-N 2.86Å; L335-E337 PolarHBondContact O-N 2.78Å; E337-L342 WeakPolarHBondContact O-CD1 3.01Å
338	S	98	Very high	97.7	Very high	26 Å²	26	68 Å²	68	18%	0.182	32%	0.324	C	S	.	.	S	Bend	trans	-66.4	147.8	179.9	71.7	0	0	0	0	112.1	F317 Q334 L335 F340 I341 L342	F317-S338 VanDerWaalsContact CD2-OG 3.29Å; F317-S338 WeakPolarHBondContact CD2-OG 3.36Å; Q334-S338 PolarHBondContact O-N 3.42Å; L335-S338 WeakPolarHBondContact O-CB 3.28Å; L335-S338 PolarHBondContact O-N 2.81Å; L335-S338 PolarHBondContact O-OG 3.41Å; S338-F340 PolarHBondContact O-N 3.16Å; S338-I341 PolarHBondContact O-N 2.76Å; S338-I341 WeakPolarHBondContact OG-CG1 3.09Å; S338-I341 PolarHBondContact OG-N 3.28Å; S338-L342 WeakPolarHBondContact O-CG 3.33Å; S338-L342 PolarHBondContact O-N 3.15Å
339	K	98.1	Very high	97.8	Very high	155 Å²	155	63.5 Å²	63.5	67%	0.674	31%	0.305	S	S	*	.	H	α-helix	trans	-53.6	-41.2	178	-67.9	-178.6	179.8	178	0	112.5	R343	K339-R343 VanDerWaalsContact O-CB 3.26Å; K339-R343 WeakPolarHBondContact O-CB 3.35Å; K339-R343 PolarHBondContact O-N 3.39Å
340	F	98.6	Very high	97.8	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-49	179.9	-174.4	-106.6	0	0	0	112.3	E176 G180 A183 D313 F314 F317 S338 R343 Y344	E176-F340 HydrophobicContact CG-CE2 4.11Å; G180-F340 VanDerWaalsContact CA-CZ 3.44Å; A183-F340 HydrophobicContact CB-CD1 4.41Å; A183-F340 HydrophobicContact CB-CE1 3.8Å; D313-F340 HydrophobicContact CB-CB 4.19Å; D313-F340 HydrophobicContact CB-CD2 4.29Å; F314-F340 HydrophobicContact CB-CD2 3.91Å; F314-F340 HydrophobicContact CB-CE2 3.56Å; F314-F340 HydrophobicContact CB-CZ 4.27Å; F314-F340 HydrophobicContact CD2-CD2 4.32Å; F314-F340 AromaticContact CD2-CE1 3.88Å; F314-F340 HydrophobicContact CD2-CE1 3.88Å; F314-F340 AromaticContact CD2-CE2 3.55Å; F314-F340 HydrophobicContact CD2-CE2 3.55Å; F314-F340 AromaticContact CD2-CZ 3.32Å; F314-F340 HydrophobicContact CD2-CZ 3.32Å; F314-F340 HydrophobicContact CE2-CE1 4.44Å; F314-F340 HydrophobicContact CE2-CZ 4.04Å; F314-F340 AromaticContact CG-CE2 3.98Å; F314-F340 HydrophobicContact CG-CE2 3.98Å; F314-F340 HydrophobicContact CG-CZ 4.2Å; F317-F340 HydrophobicContact CB-CB 3.81Å; F317-F340 HydrophobicContact CB-CD1 4Å; F317-F340 HydrophobicContact CB-CG 4.01Å; F317-F340 AromaticContact CD1-CD1 3.8Å; F317-F340 HydrophobicContact CD1-CD1 3.8Å; F317-F340 HydrophobicContact CD1-CE1 4.23Å; F317-F340 HydrophobicContact CD2-CB 4.22Å; F317-F340 HydrophobicContact CD2-CD1 4.19Å; F317-F340 HydrophobicContact CE1-CD1 4.34Å; F317-F340 HydrophobicContact CG-CB 4.11Å; F317-F340 AromaticContact CG-CD1 3.72Å; F317-F340 HydrophobicContact CG-CD1 3.72Å; F317-F340 HydrophobicContact CG-CG 4.19Å; S338-F340 PolarHBondContact O-N 3.16Å; F340-R343 PolarHBondContact O-N 3.19Å; F340-Y344 AromaticContact CD2-CD2 3.93Å; F340-Y344 HydrophobicContact CD2-CD2 3.93Å; F340-Y344 AromaticContact CD2-CE2 3.83Å; F340-Y344 HydrophobicContact CD2-CE2 3.83Å; F340-Y344 HydrophobicContact CE1-CD2 4.32Å; F340-Y344 AromaticContact CE2-CD2 3.6Å; F340-Y344 HydrophobicContact CE2-CD2 3.6Å; F340-Y344 AromaticContact CE2-CE2 3.29Å; F340-Y344 HydrophobicContact CE2-CE2 3.29Å; F340-Y344 HydrophobicContact CG-CD2 4.42Å; F340-Y344 AromaticContact CZ-CD2 3.79Å; F340-Y344 HydrophobicContact CZ-CD2 3.79Å; F340-Y344 AromaticContact CZ-CE2 3.8Å; F340-Y344 HydrophobicContact CZ-CE2 3.8Å; F340-Y344 WeakPolarHBondContact O-CD2 3.38Å; F340-Y344 PolarHBondContact O-N 2.81Å; F340-Y344 VanDerWaalsContact O-N 3.16Å
341	I	98.6	Very high	97.8	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.8	-47.3	178.4	-66.3	-66.5	0	0	0	110.9	A183 V184 V187 F317 L335 L336 S338 R343 Y344 E345	A183-I341 HydrophobicContact CB-CD1 3.89Å; V184-I341 HydrophobicContact CG2-CD1 4.01Å; V184-I341 HydrophobicContact CG2-CG2 4.16Å; V187-I341 HydrophobicContact CG2-CD1 4.26Å; F317-I341 HydrophobicContact CD2-CG1 4.16Å; F317-I341 HydrophobicContact CE2-CD1 3.89Å; F317-I341 HydrophobicContact CE2-CG1 3.46Å; F317-I341 VanDerWaalsContact CE2-CG1 3.46Å; F317-I341 HydrophobicContact CZ-CD1 3.82Å; F317-I341 HydrophobicContact CZ-CG1 3.94Å; L335-I341 VanDerWaalsContact O-CG1 3.28Å; L335-I341 WeakPolarHBondContact O-CG1 3.11Å; L336-I341 HydrophobicContact CD2-CG2 4.29Å; S338-I341 PolarHBondContact O-N 2.76Å; S338-I341 WeakPolarHBondContact OG-CG1 3.09Å; S338-I341 PolarHBondContact OG-N 3.28Å; I341-R343 VanDerWaalsContact C-N 3.26Å; I341-R343 PolarHBondContact O-N 3.38Å; I341-Y344 PolarHBondContact O-N 3.15Å; I341-E345 WeakPolarHBondContact O-CB 3.34Å; I341-E345 PolarHBondContact O-N 2.96Å
342	L	98.5	Very high	97.8	Very high	61 Å²	61	64.3 Å²	64.3	32%	0.319	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-34.9	180	-67.9	176.8	0	0	0	112.6	E337 S338 R346	E337-L342 WeakPolarHBondContact O-CD1 3.01Å; S338-L342 WeakPolarHBondContact O-CG 3.33Å; S338-L342 PolarHBondContact O-N 3.15Å; L342-R346 WeakPolarHBondContact O-CG 3.49Å
343	R	98.3	Very high	97.8	Very high	102 Å²	102	66.7 Å²	66.7	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-56.8	173.7	176	-179.7	174.1	179.2	-3.7	110.8	K339 F340 I341 E345 R346 E347	K339-R343 VanDerWaalsContact O-CB 3.26Å; K339-R343 WeakPolarHBondContact O-CB 3.35Å; K339-R343 PolarHBondContact O-N 3.39Å; F340-R343 PolarHBondContact O-N 3.19Å; I341-R343 VanDerWaalsContact C-N 3.26Å; I341-R343 PolarHBondContact O-N 3.38Å; R343-E345 VanDerWaalsContact C-N 3.3Å; R343-E345 PolarHBondContact O-N 3.04Å; R343-R346 PolarHBondContact O-N 3.12Å; R343-R346 VanDerWaalsContact O-N 3.08Å; R343-E347 IonicContact CZ-OE2 2.75Å; R343-E347 IonicContact NE-OE2 3.33Å; R343-E347 PolarHBondContact NE-OE2 2.97Å; R343-E347 IonicContact NH2-OE1 3.56Å; R343-E347 IonicContact NH2-OE2 3.62Å; R343-E347 PolarHBondContact NH2-OE2 2.72Å; R343-E347 WeakPolarHBondContact O-CB 3.32Å; R343-E347 PolarHBondContact O-N 2.84Å
344	Y	98.4	Very high	97.8	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-77.7	-13.3	-174	-75.6	-64.6	0	0	0	114.5	E176 P177 G180 K181 F340 I341 R346 E347 V349	E176-Y344 HydrophobicContact CG-CE2 4.46Å; P177-Y344 HydrophobicContact CB-CE1 3.76Å; P177-Y344 HydrophobicContact CG-CE1 4.24Å; G180-Y344 VanDerWaalsContact CA-CD2 3.47Å; K181-Y344 WeakPolarHBondContact CD-O 3.44Å; K181-Y344 VanDerWaalsContact CE-O 3.27Å; K181-Y344 WeakPolarHBondContact CE-O 3.25Å; K181-Y344 PolarHBondContact NZ-O 3.12Å; F340-Y344 AromaticContact CD2-CD2 3.93Å; F340-Y344 HydrophobicContact CD2-CD2 3.93Å; F340-Y344 AromaticContact CD2-CE2 3.83Å; F340-Y344 HydrophobicContact CD2-CE2 3.83Å; F340-Y344 HydrophobicContact CE1-CD2 4.32Å; F340-Y344 AromaticContact CE2-CD2 3.6Å; F340-Y344 HydrophobicContact CE2-CD2 3.6Å; F340-Y344 AromaticContact CE2-CE2 3.29Å; F340-Y344 HydrophobicContact CE2-CE2 3.29Å; F340-Y344 HydrophobicContact CG-CD2 4.42Å; F340-Y344 AromaticContact CZ-CD2 3.79Å; F340-Y344 HydrophobicContact CZ-CD2 3.79Å; F340-Y344 AromaticContact CZ-CE2 3.8Å; F340-Y344 HydrophobicContact CZ-CE2 3.8Å; F340-Y344 WeakPolarHBondContact O-CD2 3.38Å; F340-Y344 PolarHBondContact O-N 2.81Å; F340-Y344 VanDerWaalsContact O-N 3.16Å; I341-Y344 PolarHBondContact O-N 3.15Å; Y344-R346 VanDerWaalsContact C-N 3.29Å; Y344-E347 HydrophobicContact CD1-CB 4.18Å; Y344-V349 HydrophobicContact CD1-CG2 4.25Å; Y344-V349 HydrophobicContact CE1-CG2 4.41Å
345	E	97.1	Very high	97.7	Very high	86 Å²	86	59.3 Å²	59.3	40%	0.402	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-36.6	164.7	-174.6	169.4	-146.3	0	0	111.4	K188 I341 R343	K188-E345 WeakPolarHBondContact CE-OE1 3.24Å; K188-E345 IonicContact NZ-OE1 3.26Å; K188-E345 PolarHBondContact NZ-OE1 3.23Å; I341-E345 WeakPolarHBondContact O-CB 3.34Å; I341-E345 PolarHBondContact O-N 2.96Å; R343-E345 VanDerWaalsContact C-N 3.3Å; R343-E345 PolarHBondContact O-N 3.04Å
346	R	97.3	Very high	97.6	Very high	202 Å²	202	60.5 Å²	60.5	76%	0.762	30%	0.303	S	S	*	.	H	α-helix	trans	-94.6	-34.5	-175.9	-61.3	173.4	-172.7	179.7	2.3	113.8	L342 R343 Y344	L342-R346 WeakPolarHBondContact O-CG 3.49Å; R343-R346 PolarHBondContact O-N 3.12Å; R343-R346 VanDerWaalsContact O-N 3.08Å; Y344-R346 VanDerWaalsContact C-N 3.29Å
347	E	96.8	Very high	97.4	Very high	55 Å²	55	61.4 Å²	61.4	26%	0.257	31%	0.313	S	S	.	.	S	Bend	trans	-66.5	123.3	-175.7	-168	169.9	145.7	0	0	110.3	K181 R343 Y344 V349	K181-E347 WeakPolarHBondContact CE-O 3.22Å; K181-E347 PolarHBondContact NZ-O 2.66Å; R343-E347 IonicContact CZ-OE2 2.75Å; R343-E347 IonicContact NE-OE2 3.33Å; R343-E347 PolarHBondContact NE-OE2 2.97Å; R343-E347 IonicContact NH2-OE1 3.56Å; R343-E347 IonicContact NH2-OE2 3.62Å; R343-E347 PolarHBondContact NH2-OE2 2.72Å; R343-E347 WeakPolarHBondContact O-CB 3.32Å; R343-E347 PolarHBondContact O-N 2.84Å; Y344-E347 HydrophobicContact CD1-CB 4.18Å; E347-V349 HydrophobicContact CG-CG2 4.21Å; E347-V349 PolarHBondContact O-N 3.31Å
348	P	96.5	Very high	97.2	Very high	127 Å²	127	54.5 Å²	54.5	83%	0.825	28%	0.28	S	S	*	.			trans	-72.4	115.7	175.4	28.9	-32.1	0	0	0	109.2
349	V	97.4	Very high	96.9	Very high	35 Å²	35	55.9 Å²	55.9	21%	0.212	28%	0.283	C	S	.	.			trans	-128.1	120.4	177.4	-178.8	0	0	0	0	107.2	P177 V178 K181 Y344 E347 V351	P177-V349 HydrophobicContact CB-CB 4.48Å; P177-V349 HydrophobicContact CB-CG1 3.86Å; P177-V349 HydrophobicContact CB-CG2 3.74Å; V178-V349 HydrophobicContact CG2-CG1 4.49Å; K181-V349 HydrophobicContact CD-CB 4.39Å; K181-V349 HydrophobicContact CG-CB 3.81Å; K181-V349 HydrophobicContact CG-CG1 4.24Å; K181-V349 HydrophobicContact CG-CG2 4.19Å; Y344-V349 HydrophobicContact CD1-CG2 4.25Å; Y344-V349 HydrophobicContact CE1-CG2 4.41Å; E347-V349 HydrophobicContact CG-CG2 4.21Å; E347-V349 PolarHBondContact O-N 3.31Å; V349-V351 VanDerWaalsContact C-N 3.34Å; V349-V351 HydrophobicContact CG1-CG2 4.18Å; V349-V351 PolarHBondContact O-N 3.32Å
350	D	97.7	Very high	96.4	Very high	115 Å²	115	53.2 Å²	53.2	62%	0.615	28%	0.276	S	S	*	.			trans	-83.1	80.2	179.3	-165.5	-17.9	0	0	0	110.6	G352 A353 Y354	D350-G352 VanDerWaalsContact C-N 3.25Å; D350-G352 PolarHBondContact O-N 3.17Å; D350-G352 PolarHBondContact OD1-N 2.79Å; D350-A353 HydrophobicContact CB-CB 4.06Å; D350-A353 WeakPolarHBondContact OD1-CB 3.3Å; D350-A353 PolarHBondContact OD1-N 2.93Å; D350-A353 WeakPolarHBondContact OD2-CB 3.29Å; D350-Y354 PolarHBondContact O-N 3.44Å; D350-Y354 VanDerWaalsContact O-N 3.13Å
351	V	97.9	Very high	95.6	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.036	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-35.2	177.9	179.2	0	0	0	0	110.8	V178 K181 L211 I217 V349 Y354 V355	V178-V351 HydrophobicContact CG1-CG1 4.49Å; K181-V351 HydrophobicContact CB-CG2 3.79Å; K181-V351 HydrophobicContact CG-CG2 3.81Å; L211-V351 HydrophobicContact CD2-CG1 3.98Å; I217-V351 HydrophobicContact CD1-CG1 4.17Å; I217-V351 HydrophobicContact CD1-CG2 4.24Å; I217-V351 HydrophobicContact CG1-CG1 4.24Å; V349-V351 VanDerWaalsContact C-N 3.34Å; V349-V351 HydrophobicContact CG1-CG2 4.18Å; V349-V351 PolarHBondContact O-N 3.32Å; V351-Y354 PolarHBondContact O-N 2.92Å; V351-V355 HydrophobicContact CG1-CG2 4.17Å; V351-V355 WeakPolarHBondContact O-CB 3.37Å; V351-V355 VanDerWaalsContact O-CG2 3.3Å; V351-V355 WeakPolarHBondContact O-CG2 3.41Å; V351-V355 PolarHBondContact O-N 3.36Å
352	G	97.5	Very high	94.2	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-48.3	-179.6	0	0	0	0	0	111.8	R213 D350 Y354 V355 A356	R213-G352 WeakPolarHBondContact O-CA 3.35Å; D350-G352 VanDerWaalsContact C-N 3.25Å; D350-G352 PolarHBondContact O-N 3.17Å; D350-G352 PolarHBondContact OD1-N 2.79Å; G352-Y354 VanDerWaalsContact C-N 3.32Å; G352-Y354 PolarHBondContact O-N 2.81Å; G352-V355 PolarHBondContact O-N 2.9Å; G352-A356 WeakPolarHBondContact O-CB 3.4Å; G352-A356 PolarHBondContact O-N 3.29Å
353	A	97	Very high	92.6	Very high	52 Å²	52	58 Å²	58	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-39.9	174.1	0	0	0	0	0	112.2	D350 A356 S357	D350-A353 HydrophobicContact CB-CB 4.06Å; D350-A353 WeakPolarHBondContact OD1-CB 3.3Å; D350-A353 PolarHBondContact OD1-N 2.93Å; D350-A353 WeakPolarHBondContact OD2-CB 3.29Å; A353-A356 PolarHBondContact O-N 3.48Å; A353-S357 WeakPolarHBondContact O-CB 3.31Å; A353-S357 PolarHBondContact O-N 3.19Å
354	Y	97.2	Very high	90.7	Very high	33 Å²	33	61.4 Å²	61.4	13%	0.129	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-50.8	175.4	-179.8	-101.5	0	0	0	111.6	V166 L174 P175 V178 D350 V351 G352 A356 S357 V358	V166-Y354 VanDerWaalsContact CG2-OH 3.29Å; V166-Y354 WeakPolarHBondContact CG2-OH 3.4Å; L174-Y354 HydrophobicContact CD1-CE1 3.46Å; L174-Y354 VanDerWaalsContact CD1-CE1 3.46Å; P175-Y354 VanDerWaalsContact CD-CZ 3.46Å; P175-Y354 VanDerWaalsContact CD-OH 3.28Å; P175-Y354 WeakPolarHBondContact CD-OH 3.35Å; P175-Y354 HydrophobicContact CG-CD2 4.38Å; P175-Y354 HydrophobicContact CG-CE2 3.75Å; V178-Y354 HydrophobicContact CG1-CD1 4.14Å; V178-Y354 HydrophobicContact CG1-CE1 4.4Å; V178-Y354 HydrophobicContact CG2-CD1 3.77Å; V178-Y354 HydrophobicContact CG2-CD2 4.48Å; V178-Y354 HydrophobicContact CG2-CE1 4.25Å; V178-Y354 HydrophobicContact CG2-CG 3.9Å; D350-Y354 PolarHBondContact O-N 3.44Å; D350-Y354 VanDerWaalsContact O-N 3.13Å; V351-Y354 PolarHBondContact O-N 2.92Å; G352-Y354 VanDerWaalsContact C-N 3.32Å; G352-Y354 PolarHBondContact O-N 2.81Å; Y354-A356 VanDerWaalsContact C-N 3.32Å; Y354-A356 PolarHBondContact O-N 3.11Å; Y354-S357 PolarHBondContact O-N 2.71Å; Y354-S357 VanDerWaalsContact O-N 3.1Å; Y354-S357 PolarHBondContact O-OG 3.33Å; Y354-V358 HydrophobicContact CD1-CG2 4.4Å; Y354-V358 HydrophobicContact CE1-CG2 3.89Å; Y354-V358 HydrophobicContact CE2-CG2 4.29Å; Y354-V358 WeakPolarHBondContact O-CG2 3.37Å; Y354-V358 PolarHBondContact O-N 3.13Å
355	V	96.8	Very high	88.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-45.8	177.6	170.7	0	0	0	0	110.8	I157 L162 L211 R213 V351 G352 S357 V358 F359	I157-V355 HydrophobicContact CG2-CG1 4.19Å; L162-V355 HydrophobicContact CD2-CG2 4.41Å; L211-V355 HydrophobicContact CB-CG2 4.19Å; L211-V355 HydrophobicContact CD2-CG2 4.2Å; R213-V355 HydrophobicContact CG-CG1 4.09Å; V351-V355 HydrophobicContact CG1-CG2 4.17Å; V351-V355 WeakPolarHBondContact O-CB 3.37Å; V351-V355 VanDerWaalsContact O-CG2 3.3Å; V351-V355 WeakPolarHBondContact O-CG2 3.41Å; V351-V355 PolarHBondContact O-N 3.36Å; G352-V355 PolarHBondContact O-N 2.9Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-S357 PolarHBondContact O-N 3.39Å; V355-V358 PolarHBondContact O-N 2.84Å; V355-F359 HydrophobicContact CG1-CD2 3.92Å; V355-F359 HydrophobicContact CG1-CE2 3.69Å; V355-F359 VanDerWaalsContact O-CD2 3.25Å; V355-F359 WeakPolarHBondContact O-CD2 3.33Å; V355-F359 PolarHBondContact O-N 3.48Å
356	A	95.7	Very high	86.1	Confident	28 Å²	28	71.4 Å²	71.4	23%	0.231	37%	0.373	C	S	.	.	H	α-helix	trans	-58.7	-43.5	175.5	0	0	0	0	0	112.1	R213 G352 A353 Y354 V358 F359 D360	R213-A356 HydrophobicContact CG-CB 4.2Å; G352-A356 WeakPolarHBondContact O-CB 3.4Å; G352-A356 PolarHBondContact O-N 3.29Å; A353-A356 PolarHBondContact O-N 3.48Å; Y354-A356 VanDerWaalsContact C-N 3.32Å; Y354-A356 PolarHBondContact O-N 3.11Å; A356-V358 VanDerWaalsContact C-N 3.31Å; A356-V358 PolarHBondContact O-N 3.08Å; A356-F359 WeakPolarHBondContact O-CB 3.32Å; A356-F359 PolarHBondContact O-N 3.24Å; A356-F359 VanDerWaalsContact O-N 3.16Å; A356-D360 PolarHBondContact O-N 3.31Å
357	S	94.5	Very high	85.6	Confident	56 Å²	56	64.9 Å²	64.9	39%	0.392	35%	0.354	S	S	.	.	H	α-helix	trans	-63.3	-34.4	178.8	77.6	0	0	0	0	113.3	A353 Y354 V355 D360 G361	A353-S357 WeakPolarHBondContact O-CB 3.31Å; A353-S357 PolarHBondContact O-N 3.19Å; Y354-S357 PolarHBondContact O-N 2.71Å; Y354-S357 VanDerWaalsContact O-N 3.1Å; Y354-S357 PolarHBondContact O-OG 3.33Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-S357 PolarHBondContact O-N 3.39Å; S357-D360 PolarHBondContact O-N 2.67Å; S357-G361 PolarHBondContact O-N 3.13Å
358	V	94.3	Very high	85	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-67.8	-42	175.1	179	0	0	0	0	110.3	L162 M165 V166 M170 Y354 V355 A356 G361 L362	L162-V358 HydrophobicContact CD1-CB 4.15Å; L162-V358 HydrophobicContact CD1-CG1 4Å; L162-V358 HydrophobicContact CD1-CG2 4.08Å; M165-V358 HydrophobicContact CB-CG1 4.31Å; M165-V358 HydrophobicContact CE-CG1 3.5Å; V166-V358 HydrophobicContact CG2-CG1 4.22Å; V166-V358 HydrophobicContact CG2-CG2 3.99Å; M170-V358 HydrophobicContact SD-CB 4.33Å; M170-V358 HydrophobicContact SD-CG1 3.88Å; M170-V358 HydrophobicContact SD-CG2 4.2Å; Y354-V358 HydrophobicContact CD1-CG2 4.4Å; Y354-V358 HydrophobicContact CE1-CG2 3.89Å; Y354-V358 HydrophobicContact CE2-CG2 4.29Å; Y354-V358 WeakPolarHBondContact O-CG2 3.37Å; Y354-V358 PolarHBondContact O-N 3.13Å; V355-V358 PolarHBondContact O-N 2.84Å; A356-V358 VanDerWaalsContact C-N 3.31Å; A356-V358 PolarHBondContact O-N 3.08Å; V358-G361 PolarHBondContact O-N 3.02Å; V358-L362 PolarHBondContact O-N 3.09Å
359	F	91.1	Very high	84.3	Confident	55 Å²	55	61.9 Å²	61.9	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-43.3	174	-81.3	-71.7	0	0	0	112.4	D156 I157 R213 V355 A356 G361 L362	D156-F359 HydrophobicContact CB-CE2 4.01Å; D156-F359 HydrophobicContact CB-CZ 4.06Å; I157-F359 HydrophobicContact CB-CE2 4.32Å; I157-F359 HydrophobicContact CB-CZ 3.95Å; I157-F359 HydrophobicContact CD1-CZ 4.14Å; I157-F359 HydrophobicContact CG2-CE2 4.31Å; I157-F359 HydrophobicContact CG2-CZ 4.44Å; R213-F359 HydrophobicContact CG-CD2 4.21Å; R213-F359 HydrophobicContact CG-CE2 4.41Å; V355-F359 HydrophobicContact CG1-CD2 3.92Å; V355-F359 HydrophobicContact CG1-CE2 3.69Å; V355-F359 VanDerWaalsContact O-CD2 3.25Å; V355-F359 WeakPolarHBondContact O-CD2 3.33Å; V355-F359 PolarHBondContact O-N 3.48Å; A356-F359 WeakPolarHBondContact O-CB 3.32Å; A356-F359 PolarHBondContact O-N 3.24Å; A356-F359 VanDerWaalsContact O-N 3.16Å; F359-G361 VanDerWaalsContact C-N 3.32Å; F359-G361 PolarHBondContact O-N 3.22Å; F359-L362 WeakPolarHBondContact O-CB 3.24Å; F359-L362 PolarHBondContact O-N 3.41Å
360	D	87.9	Confident	83.6	Confident	98 Å²	98	63.5 Å²	63.5	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-68.3	-32.5	177.8	-69.6	-18.5	0	0	0	112.4	A356 S357 L362 I363	A356-D360 PolarHBondContact O-N 3.31Å; S357-D360 PolarHBondContact O-N 2.67Å; D360-L362 VanDerWaalsContact C-N 3.32Å; D360-I363 PolarHBondContact O-N 3.14Å
361	G	80.1	Confident	82.7	Confident	15 Å²	15	60.3 Å²	60.3	16%	0.155	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-39.6	174	0	0	0	0	0	112.3	S357 V358 F359 K364 H365	S357-G361 PolarHBondContact O-N 3.13Å; V358-G361 PolarHBondContact O-N 3.02Å; F359-G361 VanDerWaalsContact C-N 3.32Å; F359-G361 PolarHBondContact O-N 3.22Å; G361-K364 PolarHBondContact O-N 2.82Å; G361-H365 PolarHBondContact O-CD2 3.27Å
362	L	70.2	Confident	81.7	Confident	23 Å²	23	63.9 Å²	63.9	12%	0.12	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-41.3	176.9	-68.7	-178.1	0	0	0	113.1	M165 K169 V358 F359 D360 K364 H365 D366	M165-L362 HydrophobicContact CE-CD1 3.16Å; M165-L362 HydrophobicContact CE-CD2 4.22Å; M165-L362 HydrophobicContact CE-CG 3.79Å; M165-L362 HydrophobicContact CG-CD1 4.47Å; M165-L362 HydrophobicContact CG-CD2 4.46Å; M165-L362 HydrophobicContact SD-CD1 3.8Å; K169-L362 HydrophobicContact CB-CD2 4.18Å; K169-L362 HydrophobicContact CD-CD2 3.29Å; K169-L362 HydrophobicContact CG-CD2 4.38Å; V358-L362 PolarHBondContact O-N 3.09Å; F359-L362 WeakPolarHBondContact O-CB 3.24Å; F359-L362 PolarHBondContact O-N 3.41Å; D360-L362 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.1Å; L362-K364 VanDerWaalsContact O-N 3.09Å; L362-H365 PolarHBondContact O-N 3.03Å; L362-D366 PolarHBondContact O-N 3.13Å
363	I	65	Low	80.5	Confident	126 Å²	126	68.4 Å²	68.4	65%	0.646	37%	0.365	S	S	*	.	H	α-helix	trans	-62.2	-21.2	-179.3	-62.3	170.7	0	0	0	111.3	D360	D360-I363 PolarHBondContact O-N 3.14Å
364	K	58.7	Low	79.3	Confident	173 Å²	173	69.6 Å²	69.6	75%	0.752	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.9	176.3	-64.6	179.7	-176.3	174	0	113.6	G361 L362	G361-K364 PolarHBondContact O-N 2.82Å; L362-K364 PolarHBondContact O-N 3.1Å; L362-K364 VanDerWaalsContact O-N 3.09Å
365	H	51.4	Low	77.8	Confident	144 Å²	144	72.7 Å²	72.7	67%	0.667	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-14.3	-174.5	-71.7	-63.4	0	0	0	114.6	G361 L362	G361-H365 PolarHBondContact O-CD2 3.27Å; L362-H365 PolarHBondContact O-N 3.03Å
366	D	47.6	Very low	76.1	Confident	154 Å²	154	79.3 Å²	79.3	82%	0.824	41%	0.414	S	S	*	.			trans	-91.1	0	163.4	-63.8	-25.6	0	0	0	110.3	K169 L362	K169-D366 IonicContact NZ-OD1 3.26Å; L362-D366 PolarHBondContact O-N 3.13Å

Retrieved 366 of 366 residues in 216.4 ms (Link to these results)

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