A0A2K5UYN7_MACFA Loading...

Antithrombin-III

Most important serine protease inhibitor in plasma that regulates the blood coagulation cascade. AT-III inhibits thrombin, matriptase-3/TMPRSS7, as well as factors IXa, Xa and XIa. Its inhibitory activity is greatly enhanced in the presence of heparin.

AlphaFold DB , UniProt , Accession A0A2K5UYN7, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SERPINC1, Length 464 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	30.6	Very low	227 Å²	227	139.2 Å²	139.2	100%	1.118	82%	0.822	S	S	*	*				0	117.4	0	-65.9	167	177.9	0	0	105.8
2	Y	30.8	Very low	30.3	Very low	221 Å²	221	133.3 Å²	133.3	87%	0.867	81%	0.813	S	S	*	*				60	126.1	85.6	-69.3	-63.4	0	0	0	112.2
3	S	29.2	Very low	30.5	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	81%	0.812	S	S	*	*			cis	-163.1	170.8	-9.9	-147.2	0	0	0	0	111.2
4	N	30.8	Very low	30.5	Very low	150 Å²	150	144.1 Å²	144.1	80%	0.802	82%	0.817	S	S	*	*			trans	-71.2	148.7	169.7	-64.8	-31.3	0	0	0	112.2
5	V	34.3	Very low	30.5	Very low	147 Å²	147	147.3 Å²	147.3	89%	0.891	82%	0.818	S	S	*	*			trans	-146.9	149.4	140.2	170.2	0	0	0	0	109
6	I	32.8	Very low	30.6	Very low	151 Å²	151	146.4 Å²	146.4	77%	0.774	82%	0.817	S	S	*	*			trans	-104.8	148.5	-177.5	-66.3	161.4	0	0	0	110.4	T8	I6-T8 HydrophobicContact CG2-CG2 4.09Å
7	G	28	Very low	30.7	Very low	78 Å²	78	150.5 Å²	150.5	80%	0.804	82%	0.819	S	S	*	*			trans	-150	131	166.8	0	0	0	0	0	111.8
8	T	28.2	Very low	30.7	Very low	124 Å²	124	151.3 Å²	151.3	76%	0.761	82%	0.822	S	S	*	*			trans	-137.2	173.6	-167.8	47.2	0	0	0	0	113.6	I6	I6-T8 HydrophobicContact CG2-CG2 4.09Å
9	V	29.8	Very low	30.7	Very low	130 Å²	130	151.2 Å²	151.2	79%	0.788	82%	0.819	S	S	*	*			trans	109.3	86.7	157.9	-170	0	0	0	0	118.2
10	A	29.5	Very low	30.7	Very low	97 Å²	97	148.1 Å²	148.1	80%	0.802	81%	0.81	S	S	*	*				45.6	136.2	121.6	0	0	0	0	0	124.6
11	S	28.8	Very low	30.7	Very low	98 Å²	98	148.4 Å²	148.4	69%	0.685	81%	0.81	S	S	*	*				-179.4	112.7	121.7	-179.3	0	0	0	0	108.1
12	G	27.7	Very low	30.5	Very low	69 Å²	69	144.3 Å²	144.3	71%	0.711	79%	0.792	S	S	*	*				104.5	156.5	69.1	0	0	0	0	0	109.4
13	K	32.3	Very low	30.5	Very low	183 Å²	183	141 Å²	141	80%	0.796	79%	0.788	S	S	*	*			cis	-145.4	164.3	-9.5	-55.6	94.9	-175.8	-172	0	105.5
14	R	30.3	Very low	30.9	Very low	234 Å²	234	144.4 Å²	144.4	88%	0.883	80%	0.796	S	S	*	*			cis	-141.9	170.9	39.3	-90.2	173.4	171.3	147.2	-4.5	109.1
15	K	31.5	Very low	30.8	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.835	79%	0.789	S	S	*	*				53.7	134.6	67.8	-55.5	-165.9	174.6	-169.2	0	114.4
16	V	31.9	Very low	30.7	Very low	133 Å²	133	141 Å²	141	81%	0.806	79%	0.787	S	S	*	*			cis	-137.8	152.9	36.4	171.2	0	0	0	0	113.7
17	Y	31.9	Very low	30.6	Very low	217 Å²	217	145.9 Å²	145.9	85%	0.851	80%	0.796	S	S	*	*			trans	-101.5	145.4	164.6	-98.1	-94.2	0	0	0	110.5
18	L	31.6	Very low	30.6	Very low	164 Å²	164	148.2 Å²	148.2	86%	0.859	79%	0.79	S	S	*	*			trans	-154.6	157	149.9	-131.8	115.6	0	0	0	112.7
19	L	30.6	Very low	30.7	Very low	149 Å²	149	147.6 Å²	147.6	78%	0.78	79%	0.789	S	S	*	*			trans	-80.1	164.8	175.8	-91.3	74.1	0	0	0	110.7
20	S	29.2	Very low	30.7	Very low	89 Å²	89	148.8 Å²	148.8	62%	0.622	79%	0.788	S	S	*	*			cis	-174.2	172.7	-2.1	43.1	0	0	0	0	111.2
21	L	31.1	Very low	30.8	Very low	155 Å²	155	149.4 Å²	149.4	81%	0.812	78%	0.782	S	S	*	*			trans	86.6	140.7	146.4	-88.9	163.6	0	0	0	122.1
22	L	29.4	Very low	30.8	Very low	142 Å²	142	149.4 Å²	149.4	74%	0.743	78%	0.781	S	S	*	*			trans	89.4	113.8	155.5	-66.9	163.4	0	0	0	122.3
23	L	32.3	Very low	31.1	Very low	152 Å²	152	154.6 Å²	154.6	80%	0.796	79%	0.787	S	S	*	*			trans	61.9	106.1	138.5	-66	169.7	0	0	0	121.5
24	I	37	Very low	31.5	Very low	179 Å²	179	149.2 Å²	149.2	92%	0.918	78%	0.783	S	S	*	*				175.4	137.4	126.3	-85.7	149.1	0	0	0	104.7
25	G	29.5	Very low	32.6	Very low	64 Å²	64	142.9 Å²	142.9	66%	0.66	77%	0.774	S	S	*	*			cis	170.2	115.5	-4.7	0	0	0	0	0	106.9
26	L	32	Very low	34.4	Very low	160 Å²	160	140 Å²	140	84%	0.838	78%	0.775	S	S	*	*			trans	-66.9	136.1	-172.7	-79.1	156.2	0	0	0	111.6
27	W	29.1	Very low	36.6	Very low	255 Å²	255	137 Å²	137	97%	0.966	76%	0.757	S	S	*	*			trans	-133.6	58.8	167.2	-147.5	-2.3	0	0	0	111	C29	W27-C29 PolarHBondContact O-N 3.11Å
28	D	29.4	Very low	39.1	Very low	126 Å²	126	130.3 Å²	130.3	67%	0.674	74%	0.736	S	S	*	*			trans	-63.4	121.9	166.3	-82.5	-54.1	0	0	0	109.6	M30	D28-M30 VanDerWaalsContact C-N 3.32Å; D28-M30 PolarHBondContact O-N 3.09Å
29	C	29.4	Very low	41.7	Very low	111 Å²	111	123.7 Å²	123.7	75%	0.75	70%	0.701	S	S	*	*			trans	-79.8	81	178	-163.9	0	0	0	0	110	W27 T31	W27-C29 PolarHBondContact O-N 3.11Å; C29-T31 VanDerWaalsContact C-N 3.27Å; C29-T31 PolarHBondContact O-N 3.29Å
30	M	29.9	Very low	44.3	Very low	156 Å²	156	119.4 Å²	119.4	77%	0.768	68%	0.683	S	S	*	*			trans	-69	82.7	171.5	-73.6	-163.4	78.9	0	0	111.1	D28 C32	D28-M30 VanDerWaalsContact C-N 3.32Å; D28-M30 PolarHBondContact O-N 3.09Å; M30-C32 PolarHBondContact O-N 2.82Å
31	T	31.4	Very low	47	Very low	109 Å²	109	120.5 Å²	120.5	67%	0.669	69%	0.686	S	S	*	*			trans	-71	80.8	161.1	53.6	0	0	0	0	109.2	C29 H33	C29-T31 VanDerWaalsContact C-N 3.27Å; C29-T31 PolarHBondContact O-N 3.29Å; T31-H33 PolarHBondContact O-N 2.9Å
32	C	29.5	Very low	49.6	Very low	99 Å²	99	113.6 Å²	113.6	67%	0.669	65%	0.652	S	S	*	*			trans	-65.7	80.2	173.5	-71.7	0	0	0	0	111.1	M30 G34	M30-C32 PolarHBondContact O-N 2.82Å; C32-G34 PolarHBondContact O-N 3.22Å; C32-G34 VanDerWaalsContact O-N 3.08Å
33	H	34.1	Very low	52.2	Low	178 Å²	178	113.5 Å²	113.5	82%	0.824	65%	0.645	S	S	*	*			trans	-64.2	103.8	154.1	-78.1	31.7	0	0	0	107	T31	T31-H33 PolarHBondContact O-N 2.9Å
34	G	41.1	Very low	54.3	Low	69 Å²	69	108.1 Å²	108.1	71%	0.711	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-58.9	138.4	175.8	0	0	0	0	0	110.5	C32	C32-G34 PolarHBondContact O-N 3.22Å; C32-G34 VanDerWaalsContact O-N 3.08Å
35	S	52.7	Low	56.2	Low	102 Å²	102	111 Å²	111	71%	0.713	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-52.9	140.5	176.7	-54.7	0	0	0	0	110.8	V37	S35-V37 PolarHBondContact O-N 2.78Å; S35-V37 VanDerWaalsContact O-N 3.09Å
36	P	68.4	Low	58.6	Low	131 Å²	131	112.2 Å²	112.2	85%	0.851	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-58.2	119.2	179.4	24	-33.7	0	0	0	110	D38	P36-D38 PolarHBondContact O-N 3.42Å
37	V	78.4	Confident	60.6	Low	71 Å²	71	105.4 Å²	105.4	43%	0.43	57%	0.574	S	S	.	*			trans	-79.4	106.3	-173.1	-177.8	0	0	0	0	109.6	S35 I39 A42 I47 L196	S35-V37 PolarHBondContact O-N 2.78Å; S35-V37 VanDerWaalsContact O-N 3.09Å; V37-I39 PolarHBondContact O-N 2.92Å; V37-A42 HydrophobicContact CG1-CB 3.88Å; V37-I47 HydrophobicContact CG1-CD1 3.74Å; V37-I47 HydrophobicContact CG1-CG1 3.9Å; V37-L196 HydrophobicContact CB-CD1 4.26Å; V37-L196 WeakPolarHBondContact O-CD1 3.3Å
38	D	85.4	Confident	62.6	Low	76 Å²	76	98.6 Å²	98.6	41%	0.406	56%	0.563	S	S	.	*			trans	-68.4	102.7	169.7	169.3	32.9	0	0	0	110.4	P36 C40 T41 A42	P36-D38 PolarHBondContact O-N 3.42Å; D38-C40 PolarHBondContact O-N 2.83Å; D38-C40 VanDerWaalsContact O-N 3.12Å; D38-C40 WeakPolarHBondContact OD1-CA 3.5Å; D38-C40 WeakPolarHBondContact OD1-CB 3.49Å; D38-C40 PolarHBondContact OD1-N 2.71Å; D38-T41 PolarHBondContact O-N 3.24Å; D38-T41 PolarHBondContact O-OG1 2.97Å; D38-T41 VanDerWaalsContact OD2-CB 3.3Å; D38-T41 WeakPolarHBondContact OD2-CB 3.45Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.42Å; D38-T41 PolarHBondContact OD2-N 2.78Å; D38-T41 PolarHBondContact OD2-OG1 3.38Å; D38-A42 WeakPolarHBondContact O-CB 3.31Å; D38-A42 PolarHBondContact O-N 3.03Å
39	I	86.3	Confident	64.9	Low	24 Å²	24	93.3 Å²	93.3	12%	0.123	54%	0.535	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.9	175.3	-171.5	60.3	0	0	0	112.6	V37 T41 I47 M49 F153 A156 K157 L196	V37-I39 PolarHBondContact O-N 2.92Å; I39-T41 PolarHBondContact O-N 3.48Å; I39-I47 HydrophobicContact CD1-CD1 3.66Å; I39-M49 HydrophobicContact CD1-CE 3.63Å; I39-F153 HydrophobicContact CD1-CD2 4.13Å; I39-F153 HydrophobicContact CD1-CE2 4.45Å; I39-A156 HydrophobicContact CD1-CB 4.17Å; I39-A156 HydrophobicContact CG1-CB 3.51Å; I39-K157 WeakPolarHBondContact O-CE 3.43Å; I39-K157 PolarHBondContact O-NZ 3.11Å; I39-L196 HydrophobicContact CB-CD1 4.33Å; I39-L196 VanDerWaalsContact CB-O 3.27Å; I39-L196 WeakPolarHBondContact CB-O 3.46Å; I39-L196 WeakPolarHBondContact CG1-O 3.23Å; I39-L196 WeakPolarHBondContact CG2-O 3.28Å
40	C	85.4	Confident	67.2	Low	60 Å²	60	94.2 Å²	94.2	41%	0.405	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-26.6	177.6	-60	0	0	0	0	113	D38 K157 C160	D38-C40 PolarHBondContact O-N 2.83Å; D38-C40 VanDerWaalsContact O-N 3.12Å; D38-C40 WeakPolarHBondContact OD1-CA 3.5Å; D38-C40 WeakPolarHBondContact OD1-CB 3.49Å; D38-C40 PolarHBondContact OD1-N 2.71Å; C40-K157 PolarHBondContact O-NZ 3.04Å; C40-C160 WeakPolarHBondContact CA-SG 3.44Å; C40-C160 HydrophobicContact CB-CB 3.63Å; C40-C160 WeakPolarHBondContact CB-SG 3.39Å; C40-C160 WeakPolarHBondContact SG-CB 3.41Å; C40-C160 CovalentContact SG-SG 2.04Å; C40-C160 PolarHBondContact SG-SG 2.7Å
41	T	85.1	Confident	69.7	Low	112 Å²	112	87.5 Å²	87.5	69%	0.687	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-22.3	176.8	52.6	0	0	0	0	115.7	D38 I39	D38-T41 PolarHBondContact O-N 3.24Å; D38-T41 PolarHBondContact O-OG1 2.97Å; D38-T41 VanDerWaalsContact OD2-CB 3.3Å; D38-T41 WeakPolarHBondContact OD2-CB 3.45Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.42Å; D38-T41 PolarHBondContact OD2-N 2.78Å; D38-T41 PolarHBondContact OD2-OG1 3.38Å; I39-T41 PolarHBondContact O-N 3.48Å
42	A	86.2	Confident	72.4	Confident	10 Å²	10	88.3 Å²	88.3	8%	0.083	50%	0.498	C	S	.	.			trans	-56.1	163.3	179.1	0	0	0	0	0	115.3	V37 D38 I47 F153 K157	V37-A42 HydrophobicContact CG1-CB 3.88Å; D38-A42 WeakPolarHBondContact O-CB 3.31Å; D38-A42 PolarHBondContact O-N 3.03Å; A42-I47 HydrophobicContact CB-CD1 3.83Å; A42-I47 HydrophobicContact CB-CG1 4.44Å; A42-F153 VanDerWaalsContact O-CZ 3.29Å; A42-F153 WeakPolarHBondContact O-CZ 3.21Å; A42-K157 WeakPolarHBondContact O-CE 3.37Å; A42-K157 PolarHBondContact O-NZ 3.32Å
43	K	82.8	Confident	75.3	Confident	140 Å²	140	85.2 Å²	85.2	61%	0.609	48%	0.476	S	S	*	.			trans	-112	160.5	174	-57.7	163.1	-173.5	162.6	0	110.9	R45 D46 F153	K43-R45 PolarHBondContact O-N 3.25Å; K43-D46 VanDerWaalsContact CB-OD2 3.31Å; K43-D46 WeakPolarHBondContact CB-OD2 3.46Å; K43-D46 PolarHBondContact N-OD2 3.03Å; K43-D46 WeakPolarHBondContact O-CB 3.3Å; K43-D46 PolarHBondContact O-N 2.79Å; K43-F153 VanDerWaalsContact C-CE2 3.43Å
44	P	76.5	Confident	77.9	Confident	39 Å²	39	81.2 Å²	81.2	25%	0.253	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-1.3	-178.7	-13.3	25	0	0	0	115.7	Q150 F153 F154	P44-Q150 VanDerWaalsContact CB-CD 3.5Å; P44-F153 HydrophobicContact CB-CD1 4.43Å; P44-F153 HydrophobicContact CB-CE1 4.47Å; P44-F153 HydrophobicContact CB-CG 4.46Å; P44-F153 HydrophobicContact CB-CZ 4.49Å; P44-F153 VanDerWaalsContact CD-CZ 3.43Å; P44-F153 HydrophobicContact CG-CD1 3.8Å; P44-F153 HydrophobicContact CG-CD2 4.46Å; P44-F153 HydrophobicContact CG-CE1 3.51Å; P44-F153 HydrophobicContact CG-CE2 4.2Å; P44-F153 HydrophobicContact CG-CG 4.28Å; P44-F153 HydrophobicContact CG-CZ 3.71Å; P44-F154 HydrophobicContact CG-CZ 4.26Å
45	R	77.5	Confident	80.1	Confident	238 Å²	238	79.2 Å²	79.2	90%	0.898	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-18.1	172.1	-73.4	-176	172.6	177.3	-3.6	112.5	K43 I47	K43-R45 PolarHBondContact O-N 3.25Å; R45-I47 VanDerWaalsContact C-N 3.29Å
46	D	79.3	Confident	81.7	Confident	91 Å²	91	78.9 Å²	78.9	49%	0.487	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-14.4	-174.8	-44.7	-13.7	0	0	0	110.2	K43	K43-D46 VanDerWaalsContact CB-OD2 3.31Å; K43-D46 WeakPolarHBondContact CB-OD2 3.46Å; K43-D46 PolarHBondContact N-OD2 3.03Å; K43-D46 WeakPolarHBondContact O-CB 3.3Å; K43-D46 PolarHBondContact O-N 2.79Å
47	I	74.9	Confident	82.3	Confident	17 Å²	17	75 Å²	75	9%	0.087	39%	0.39	C	S	.	.	S	Bend	trans	-139.8	111	-180	-43.9	163.9	0	0	0	109.1	V37 I39 A42 R45 M49 L196	V37-I47 HydrophobicContact CG1-CD1 3.74Å; V37-I47 HydrophobicContact CG1-CG1 3.9Å; I39-I47 HydrophobicContact CD1-CD1 3.66Å; A42-I47 HydrophobicContact CB-CD1 3.83Å; A42-I47 HydrophobicContact CB-CG1 4.44Å; R45-I47 VanDerWaalsContact C-N 3.29Å; I47-M49 HydrophobicContact CB-CE 3.92Å; I47-M49 HydrophobicContact CB-CG 4.25Å; I47-M49 HydrophobicContact CD1-CE 3.62Å; I47-M49 HydrophobicContact CG1-CE 4.37Å; I47-M49 HydrophobicContact CG2-CE 3.56Å; I47-M49 HydrophobicContact CG2-CG 3.72Å; I47-M49 HydrophobicContact CG2-SD 4.49Å; I47-M49 PolarHBondContact O-N 2.81Å; I47-L196 HydrophobicContact CD1-CD2 3.97Å; I47-L196 HydrophobicContact CD1-CG 4.33Å; I47-L196 HydrophobicContact CG1-CD2 4.29Å; I47-L196 HydrophobicContact CG2-CD2 3.58Å
48	P	71.7	Confident	82.2	Confident	112 Å²	112	77.2 Å²	77.2	73%	0.727	41%	0.406	S	S	*	.			trans	-79.1	84.8	178.7	31.3	-33.9	0	0	0	111.8	N50	P48-N50 PolarHBondContact O-N 3.04Å
49	M	76.4	Confident	81.3	Confident	15 Å²	15	80 Å²	80	7%	0.074	42%	0.417	C	S	.	.			trans	-92.2	45.1	-179.7	-56.6	177.1	175.4	0	0	113.5	I39 I47 P51 F153 I193 L196 V197	I39-M49 HydrophobicContact CD1-CE 3.63Å; I47-M49 HydrophobicContact CB-CE 3.92Å; I47-M49 HydrophobicContact CB-CG 4.25Å; I47-M49 HydrophobicContact CD1-CE 3.62Å; I47-M49 HydrophobicContact CG1-CE 4.37Å; I47-M49 HydrophobicContact CG2-CE 3.56Å; I47-M49 HydrophobicContact CG2-CG 3.72Å; I47-M49 HydrophobicContact CG2-SD 4.49Å; I47-M49 PolarHBondContact O-N 2.81Å; M49-P51 WeakPolarHBondContact O-CD 3.36Å; M49-F153 HydrophobicContact SD-CB 4.02Å; M49-I193 HydrophobicContact CB-CD1 4.46Å; M49-I193 HydrophobicContact CB-CG2 4.33Å; M49-I193 HydrophobicContact CG-CG2 4.2Å; M49-I193 HydrophobicContact SD-CG2 4.47Å; M49-L196 HydrophobicContact CE-CD2 4.41Å; M49-L196 HydrophobicContact CE-CG 4.37Å; M49-V197 HydrophobicContact CE-CG2 3.35Å; M49-V197 HydrophobicContact SD-CG2 3.48Å; M49-V197 WeakPolarHBondContact SD-CG2 3.35Å
50	N	78.5	Confident	79.6	Confident	130 Å²	130	88.2 Å²	88.2	70%	0.695	45%	0.452	S	S	*	.			trans	-73.3	120.7	-176.7	-67.3	-11.4	0	0	0	110.3	P48	P48-N50 PolarHBondContact O-N 3.04Å
51	P	81.9	Confident	77.7	Confident	15 Å²	15	91 Å²	91	10%	0.097	46%	0.457	C	S	.	.			trans	-70.6	158	175.9	31.5	-36.1	0	0	0	111.2	M49 C53 I54 L124	M49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-C53 VanDerWaalsContact C-N 3.26Å; P51-C53 WeakPolarHBondContact CB-O 3.41Å; P51-C53 WeakPolarHBondContact CG-O 3.33Å; P51-C53 PolarHBondContact O-N 2.79Å; P51-I54 HydrophobicContact CG-CG1 4.09Å; P51-L124 HydrophobicContact CB-CD1 4.41Å
52	M	87.4	Confident	75.5	Confident	126 Å²	126	89.6 Å²	89.6	62%	0.621	46%	0.457	S	S	*	.	S	Bend	trans	-63.8	-32.2	178.9	-173.7	174.4	-178.4	0	0	112.8	P384	M52-P384 HydrophobicContact CE-CB 4.24Å; M52-P384 HydrophobicContact CE-CG 4.45Å; M52-P384 HydrophobicContact SD-CB 4Å; M52-P384 HydrophobicContact SD-CG 4.01Å
53	C	90.2	Very high	73.4	Confident	33 Å²	33	92.6 Å²	92.6	22%	0.223	47%	0.474	C	S	.	.	S	Bend	trans	-128.9	151	176	-68.4	0	0	0	0	111	P51 A126 C127 L131	P51-C53 VanDerWaalsContact C-N 3.26Å; P51-C53 WeakPolarHBondContact CB-O 3.41Å; P51-C53 WeakPolarHBondContact CG-O 3.33Å; P51-C53 PolarHBondContact O-N 2.79Å; C53-A126 WeakPolarHBondContact CB-O 3.35Å; C53-C127 HydrophobicContact CB-CB 3.82Å; C53-C127 WeakPolarHBondContact CB-SG 3.29Å; C53-C127 WeakPolarHBondContact SG-CB 2.98Å; C53-C127 CovalentContact SG-SG 2.03Å; C53-C127 PolarHBondContact SG-SG 2.98Å; C53-L131 HydrophobicContact CB-CD2 3.89Å
54	I	88.9	Confident	71.4	Confident	95 Å²	95	90.3 Å²	90.3	49%	0.487	47%	0.466	S	S	.	.			trans	-127.1	134.2	-176.1	-68.3	175.6	0	0	0	109.2	P51 D149	P51-I54 HydrophobicContact CG-CG1 4.09Å; I54-D149 VanDerWaalsContact CG2-OD1 3.23Å; I54-D149 WeakPolarHBondContact CG2-OD1 3.45Å
55	Y	88.6	Confident	69.5	Low	26 Å²	26	94.2 Å²	94.2	10%	0.102	48%	0.484	C	S	.	.			trans	-92.8	142.7	176.7	-178.9	-102.7	0	0	0	111.9	K132 M135 E136 D141	Y55-K132 HydrophobicContact CD2-CB 4.46Å; Y55-K132 HydrophobicContact CE2-CB 4.07Å; Y55-K132 HydrophobicContact CE2-CG 3.98Å; Y55-M135 HydrophobicContact CD1-CB 3.84Å; Y55-M135 HydrophobicContact CD1-CE 3.81Å; Y55-M135 HydrophobicContact CD1-CG 3.77Å; Y55-M135 HydrophobicContact CD2-CB 4.45Å; Y55-M135 HydrophobicContact CD2-CG 4.28Å; Y55-M135 HydrophobicContact CE1-CB 3.96Å; Y55-M135 HydrophobicContact CE1-CG 4.4Å; Y55-M135 HydrophobicContact CG-CB 4.09Å; Y55-M135 HydrophobicContact CG-CE 4.42Å; Y55-M135 HydrophobicContact CG-CG 3.68Å; Y55-E136 PolarHBondContact OH-OE1 3.25Å; Y55-D141 HydrophobicContact CE1-CB 4.13Å
56	R	86.9	Confident	67.5	Low	96 Å²	96	92.7 Å²	92.7	36%	0.362	49%	0.488	S	S	.	.			trans	-135.9	134.2	167.5	-69	-66.9	179	-92.4	4.5	108.4	E145 D149	R56-E145 WeakPolarHBondContact CD-OE1 3.44Å; R56-E145 IonicContact NE-OE1 3.19Å; R56-E145 IonicContact NE-OE2 2.74Å; R56-E145 PolarHBondContact NE-OE2 3.08Å; R56-D149 IonicContact CZ-OD1 2.71Å; R56-D149 IonicContact CZ-OD2 3.87Å; R56-D149 IonicContact NH1-OD1 3.04Å; R56-D149 PolarHBondContact NH1-OD1 2.97Å; R56-D149 IonicContact NH1-OD2 3.33Å; R56-D149 VanDerWaalsContact NH2-CG 3.32Å; R56-D149 IonicContact NH2-OD1 3.48Å; R56-D149 PolarHBondContact NH2-OD1 2.84Å; R56-D149 IonicContact NH2-OD2 2.7Å; R56-D149 PolarHBondContact NH2-OD2 2.85Å
57	S	80.7	Confident	65.3	Low	49 Å²	49	90.6 Å²	90.6	34%	0.343	49%	0.487	S	S	.	.			trans	-62.5	134.5	172.9	176	0	0	0	0	109.7	E59	S57-E59 VanDerWaalsContact CB-O 3.28Å; S57-E59 WeakPolarHBondContact CB-O 3.36Å; S57-E59 PolarHBondContact O-N 3.31Å; S57-E59 PolarHBondContact OG-N 3.15Å; S57-E59 PolarHBondContact OG-O 3.26Å
58	P	75.9	Confident	63.5	Low	118 Å²	118	94 Å²	94	77%	0.766	51%	0.513	S	S	*	.	S	Bend	trans	-60.1	-37	173.9	-22.8	33.6	0	0	0	112
59	E	66.6	Low	62	Low	134 Å²	134	97.6 Å²	97.6	63%	0.626	52%	0.52	S	S	*	.	S	Bend	trans	-91.4	127.9	172	-65.8	-174.6	166.6	0	0	110.2	S57 K61	S57-E59 VanDerWaalsContact CB-O 3.28Å; S57-E59 WeakPolarHBondContact CB-O 3.36Å; S57-E59 PolarHBondContact O-N 3.31Å; S57-E59 PolarHBondContact OG-N 3.15Å; S57-E59 PolarHBondContact OG-O 3.26Å; E59-K61 PolarHBondContact O-N 3.32Å
60	K	49.8	Very low	61.1	Low	196 Å²	196	99.2 Å²	99.2	85%	0.852	53%	0.527	S	S	*	.			trans	-69.3	76.7	149.3	-77.6	-173.2	176.4	179.4	0	108.5	A62	K60-A62 PolarHBondContact O-N 2.95Å; K60-A62 VanDerWaalsContact O-N 3.16Å
61	K	46.8	Very low	60.5	Low	119 Å²	119	102.1 Å²	102.1	52%	0.517	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-50.6	123.1	150.5	-81.9	-168.5	164.5	-163.9	0	106.4	E59 E64	E59-K61 PolarHBondContact O-N 3.32Å; K61-E64 IonicContact NZ-OE1 3.8Å; K61-E64 PolarHBondContact NZ-OE1 3.22Å
62	A	38.8	Very low	60.2	Low	83 Å²	83	104.9 Å²	104.9	69%	0.686	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-53.7	143	157.7	0	0	0	0	0	106.8	K60 E64	K60-A62 PolarHBondContact O-N 2.95Å; K60-A62 VanDerWaalsContact O-N 3.16Å; A62-E64 PolarHBondContact O-N 3.1Å; A62-E64 VanDerWaalsContact O-N 3.16Å
63	T	41.7	Very low	59.6	Low	73 Å²	73	100.2 Å²	100.2	45%	0.448	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-52	129.3	169.6	39.3	0	0	0	0	107.6	D65	T63-D65 PolarHBondContact O-N 3.23Å; T63-D65 PolarHBondContact OG1-OD2 2.04Å
64	E	40.1	Very low	58.8	Low	92 Å²	92	107.5 Å²	107.5	43%	0.43	56%	0.557	S	S	.	*			trans	-69.3	72.5	-170.6	-67.7	165.2	165.3	0	0	110.5	K61 A62 E66 R89	K61-E64 IonicContact NZ-OE1 3.8Å; K61-E64 PolarHBondContact NZ-OE1 3.22Å; A62-E64 PolarHBondContact O-N 3.1Å; A62-E64 VanDerWaalsContact O-N 3.16Å; E64-E66 VanDerWaalsContact C-N 3.28Å; E64-R89 IonicContact OE2-CZ 2.85Å; E64-R89 IonicContact OE2-NH1 2.66Å; E64-R89 PolarHBondContact OE2-NH1 3.48Å; E64-R89 IonicContact OE2-NH2 3.67Å; E64-R89 PolarHBondContact OE2-NH2 2.97Å
65	D	37.1	Very low	58.2	Low	120 Å²	120	108.3 Å²	108.3	64%	0.642	58%	0.577	S	S	*	*			trans	-80.5	-12.1	174.7	-69.8	-47.7	0	0	0	111	T63 G67	T63-D65 PolarHBondContact O-N 3.23Å; T63-D65 PolarHBondContact OG1-OD2 2.04Å; D65-G67 PolarHBondContact O-N 3.43Å
66	E	34.5	Very low	57.8	Low	207 Å²	207	108.1 Å²	108.1	97%	0.967	58%	0.579	S	S	*	*	S	Bend	trans	-75.9	57.6	166.9	-63.1	-168.3	162.1	0	0	111	E64	E64-E66 VanDerWaalsContact C-N 3.28Å
67	G	34.2	Very low	57.7	Low	46 Å²	46	107.1 Å²	107.1	47%	0.474	58%	0.581	S	S	.	*	S	Bend	trans	-170	40.1	-169.3	0	0	0	0	0	114.6	D65	D65-G67 PolarHBondContact O-N 3.43Å
68	S	36.6	Very low	58	Low	89 Å²	89	110.1 Å²	110.1	62%	0.622	59%	0.585	S	S	*	*			trans	68.3	134.1	-173.9	76.4	0	0	0	0	115.9	Q70	S68-Q70 PolarHBondContact O-N 2.92Å
69	E	41.3	Very low	58.5	Low	188 Å²	188	108.3 Å²	108.3	88%	0.879	56%	0.562	S	S	*	*			trans	-72.1	68.3	171.4	-71.3	-164.5	134.9	0	0	111.5	K71	E69-K71 PolarHBondContact O-N 3.39Å
70	Q	56.1	Low	59.4	Low	49 Å²	49	102.3 Å²	102.3	23%	0.229	54%	0.535	C	S	.	.			trans	-62.7	104.5	167	-71.5	-172.1	-38	0	0	109.1	S68 I72 W81 Q337	S68-Q70 PolarHBondContact O-N 2.92Å; Q70-I72 PolarHBondContact O-N 2.61Å; Q70-W81 HydrophobicContact CB-CH2 4.1Å; Q70-W81 HydrophobicContact CB-CZ2 3.8Å; Q70-W81 WeakPolarHBondContact O-CH2 3.12Å; Q70-Q337 VanDerWaalsContact NE2-CD 3.29Å; Q70-Q337 VanDerWaalsContact NE2-CG 3.33Å
71	K	67.4	Low	61.2	Low	190 Å²	190	94.5 Å²	94.5	83%	0.826	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-55.9	129.7	177.7	-71.1	177.3	179	172.5	0	109.9	E69	E69-K71 PolarHBondContact O-N 3.39Å
72	I	74.9	Confident	63.2	Low	74 Å²	74	90 Å²	90	38%	0.379	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-55.5	126.4	177	-60.4	172.4	0	0	0	108	Q70 R78 W81	Q70-I72 PolarHBondContact O-N 2.61Å; I72-R78 HydrophobicContact CD1-CB 4.12Å; I72-R78 HydrophobicContact CD1-CG 3.9Å; I72-W81 HydrophobicContact CG1-CE3 4Å; I72-W81 HydrophobicContact CG1-CH2 4.49Å; I72-W81 HydrophobicContact CG1-CZ3 3.85Å
73	P	75.4	Confident	65.7	Low	27 Å²	27	86 Å²	86	18%	0.175	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-56.9	148.1	-175.8	-25.8	32.7	0	0	0	112.9	T76 P448	P73-T76 WeakPolarHBondContact O-CB 3.28Å; P73-T76 PolarHBondContact O-N 2.87Å; P73-T76 PolarHBondContact O-OG1 2.7Å; P73-P448 WeakPolarHBondContact CB-O 3.21Å; P73-P448 WeakPolarHBondContact CG-O 3.33Å
74	E	71.9	Confident	68	Low	187 Å²	187	82.6 Å²	82.6	87%	0.874	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	148.6	-178.9	-65.8	-165.9	168.4	0	0	112.5	T76	E74-T76 PolarHBondContact O-N 2.98Å; E74-T76 PolarHBondContact O-OG1 3Å; E74-T76 VanDerWaalsContact O-OG1 3.06Å
75	A	76.6	Confident	70.3	Confident	112 Å²	112	81.6 Å²	81.6	93%	0.926	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	26.5	-176.4	0	0	0	0	0	115.4
76	T	80.4	Confident	72.9	Confident	22 Å²	22	75.9 Å²	75.9	14%	0.135	39%	0.391	C	S	.	.			trans	-109.4	140.2	-175.1	-65.1	0	0	0	0	113	P73 E74 R78 W81 R161 L449	P73-T76 WeakPolarHBondContact O-CB 3.28Å; P73-T76 PolarHBondContact O-N 2.87Å; P73-T76 PolarHBondContact O-OG1 2.7Å; E74-T76 PolarHBondContact O-N 2.98Å; E74-T76 PolarHBondContact O-OG1 3Å; E74-T76 VanDerWaalsContact O-OG1 3.06Å; T76-R78 PolarHBondContact O-N 3.31Å; T76-W81 HydrophobicContact CG2-CB 4.07Å; T76-R161 PolarHBondContact OG1-NH1 3.21Å; T76-L449 HydrophobicContact CG2-CD2 3.36Å
77	N	84.6	Confident	75.7	Confident	74 Å²	74	66 Å²	66	40%	0.396	35%	0.345	S	S	.	.			trans	-78.2	118.3	171.5	-179.4	-21	0	0	0	109.6	R79 V80 W81	N77-R79 PolarHBondContact O-N 3Å; N77-R79 PolarHBondContact OD1-N 2.93Å; N77-R79 VanDerWaalsContact OD1-N 3.09Å; N77-V80 HydrophobicContact CB-CB 4.35Å; N77-V80 HydrophobicContact CB-CG2 4.06Å; N77-V80 WeakPolarHBondContact O-CB 3.03Å; N77-V80 PolarHBondContact O-N 2.76Å; N77-W81 PolarHBondContact O-N 3.05Å
78	R	86.4	Confident	78.5	Confident	113 Å²	113	64.5 Å²	64.5	43%	0.426	33%	0.327	S	S	.	.	H	α-helix	trans	-45.4	-39.3	179.8	-177.8	177.2	165.7	139.8	4.3	113.5	I72 T76 V80 W81 E82	I72-R78 HydrophobicContact CD1-CB 4.12Å; I72-R78 HydrophobicContact CD1-CG 3.9Å; T76-R78 PolarHBondContact O-N 3.31Å; R78-V80 PolarHBondContact O-N 2.67Å; R78-W81 WeakPolarHBondContact O-CB 3.04Å; R78-W81 PolarHBondContact O-N 2.78Å; R78-E82 HydrophobicContact CG-CG 4.42Å; R78-E82 WeakPolarHBondContact CG-OE1 3.33Å; R78-E82 IonicContact CZ-OE1 3.23Å; R78-E82 IonicContact NE-OE1 3.43Å; R78-E82 PolarHBondContact NE-OE1 2.69Å; R78-E82 IonicContact NH2-OE1 3.53Å; R78-E82 WeakPolarHBondContact O-CG 3.33Å; R78-E82 PolarHBondContact O-N 3.48Å
79	R	86.9	Confident	81.1	Confident	80 Å²	80	63.5 Å²	63.5	30%	0.302	31%	0.309	S	S	.	.	H	α-helix	trans	-69.4	-31.6	-179.2	-60.9	-169.4	178.2	90	17	113.9	N77 W81 L83 T147 F154	N77-R79 PolarHBondContact O-N 3Å; N77-R79 PolarHBondContact OD1-N 2.93Å; N77-R79 VanDerWaalsContact OD1-N 3.09Å; R79-W81 VanDerWaalsContact C-N 3.32Å; R79-L83 WeakPolarHBondContact O-CB 3.45Å; R79-L83 PolarHBondContact O-N 2.72Å; R79-L83 VanDerWaalsContact O-N 3.09Å; R79-T147 HydrophobicContact CB-CG2 3.93Å; R79-T147 WeakPolarHBondContact CD-OG1 3.31Å; R79-T147 HydrophobicContact CG-CG2 4.45Å; R79-T147 WeakPolarHBondContact CG-OG1 3.47Å; R79-F154 HydrophobicContact CB-CD1 3.99Å; R79-F154 HydrophobicContact CB-CD2 4.19Å; R79-F154 HydrophobicContact CB-CE1 4.03Å; R79-F154 HydrophobicContact CB-CE2 4.2Å; R79-F154 HydrophobicContact CB-CG 4.12Å; R79-F154 HydrophobicContact CB-CZ 4.17Å; R79-F154 HydrophobicContact CG-CE2 4.43Å; R79-F154 HydrophobicContact CG-CZ 4.35Å
80	V	86.6	Confident	83.7	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-73.7	-29.9	174.4	176.2	0	0	0	0	110.3	N77 R78 S84 F154 K157 L158 L449	N77-V80 HydrophobicContact CB-CB 4.35Å; N77-V80 HydrophobicContact CB-CG2 4.06Å; N77-V80 WeakPolarHBondContact O-CB 3.03Å; N77-V80 PolarHBondContact O-N 2.76Å; R78-V80 PolarHBondContact O-N 2.67Å; V80-S84 WeakPolarHBondContact O-CB 3.33Å; V80-S84 PolarHBondContact O-N 2.99Å; V80-F154 HydrophobicContact CG2-CD1 4.15Å; V80-K157 HydrophobicContact CG2-CB 4.08Å; V80-L158 HydrophobicContact CG1-CB 4.02Å; V80-L158 HydrophobicContact CG1-CD1 3.75Å; V80-L158 HydrophobicContact CG1-CG 4.43Å; V80-L449 HydrophobicContact CG1-CD1 4.12Å
81	W	87.6	Confident	85.6	Confident	32 Å²	32	52.2 Å²	52.2	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-77.3	-41	173.5	-178.5	66.2	0	0	0	112.9	Q70 I72 T76 N77 R78 R79 L83 S84 K85 L449	Q70-W81 HydrophobicContact CB-CH2 4.1Å; Q70-W81 HydrophobicContact CB-CZ2 3.8Å; Q70-W81 WeakPolarHBondContact O-CH2 3.12Å; I72-W81 HydrophobicContact CG1-CE3 4Å; I72-W81 HydrophobicContact CG1-CH2 4.49Å; I72-W81 HydrophobicContact CG1-CZ3 3.85Å; T76-W81 HydrophobicContact CG2-CB 4.07Å; N77-W81 PolarHBondContact O-N 3.05Å; R78-W81 WeakPolarHBondContact O-CB 3.04Å; R78-W81 PolarHBondContact O-N 2.78Å; R79-W81 VanDerWaalsContact C-N 3.32Å; W81-L83 VanDerWaalsContact C-N 3.29Å; W81-L83 PolarHBondContact O-N 3.25Å; W81-S84 VanDerWaalsContact O-CB 3.28Å; W81-S84 WeakPolarHBondContact O-CB 3.47Å; W81-S84 PolarHBondContact O-N 3.02Å; W81-S84 VanDerWaalsContact O-N 3.11Å; W81-K85 HydrophobicContact CD2-CD 4.48Å; W81-K85 HydrophobicContact CH2-CD 4.28Å; W81-K85 HydrophobicContact CZ2-CD 3.85Å; W81-K85 PolarHBondContact O-N 3.17Å; W81-L449 HydrophobicContact CB-CD2 4.44Å
82	E	88.9	Confident	86.8	Confident	25 Å²	25	43.5 Å²	43.5	12%	0.117	22%	0.219	C	C	.	.	H	α-helix	trans	-54.6	-46.3	168.9	-74.7	171.6	-161.9	0	0	110.7	R78 S84 K85 A86 I143 S144	R78-E82 HydrophobicContact CG-CG 4.42Å; R78-E82 WeakPolarHBondContact CG-OE1 3.33Å; R78-E82 IonicContact CZ-OE1 3.23Å; R78-E82 IonicContact NE-OE1 3.43Å; R78-E82 PolarHBondContact NE-OE1 2.69Å; R78-E82 IonicContact NH2-OE1 3.53Å; R78-E82 WeakPolarHBondContact O-CG 3.33Å; R78-E82 PolarHBondContact O-N 3.48Å; E82-S84 PolarHBondContact O-N 3.43Å; E82-K85 PolarHBondContact O-N 3.47Å; E82-A86 PolarHBondContact O-N 2.73Å; E82-I143 HydrophobicContact CB-CB 4.44Å; E82-I143 HydrophobicContact CB-CG2 4.38Å; E82-S144 WeakPolarHBondContact OE2-CB 3.16Å; E82-S144 PolarHBondContact OE2-N 3.37Å; E82-S144 PolarHBondContact OE2-OG 3.43Å
83	L	90.1	Very high	87.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-33.1	176.2	-167.8	62.7	0	0	0	113.3	R79 W81 N87 F140 I143 I151 F154 F155 L158	R79-L83 WeakPolarHBondContact O-CB 3.45Å; R79-L83 PolarHBondContact O-N 2.72Å; R79-L83 VanDerWaalsContact O-N 3.09Å; W81-L83 VanDerWaalsContact C-N 3.29Å; W81-L83 PolarHBondContact O-N 3.25Å; L83-N87 WeakPolarHBondContact O-CB 3.34Å; L83-N87 PolarHBondContact O-N 2.7Å; L83-F140 HydrophobicContact CD1-CD1 4.22Å; L83-F140 HydrophobicContact CD1-CE1 4.2Å; L83-I143 HydrophobicContact CD1-CD1 4.4Å; L83-I151 HydrophobicContact CD1-CD1 3.97Å; L83-I151 HydrophobicContact CD1-CG1 3.88Å; L83-F154 HydrophobicContact CD2-CB 4.05Å; L83-F155 HydrophobicContact CD1-CD2 4.38Å; L83-F155 HydrophobicContact CD1-CE2 3.76Å; L83-F155 HydrophobicContact CD1-CZ 3.86Å; L83-F155 HydrophobicContact CD2-CB 4.46Å; L83-F155 HydrophobicContact CD2-CD1 4.07Å; L83-F155 HydrophobicContact CD2-CD2 3.87Å; L83-F155 HydrophobicContact CD2-CE1 4.21Å; L83-F155 HydrophobicContact CD2-CE2 4.02Å; L83-F155 HydrophobicContact CD2-CG 3.88Å; L83-F155 HydrophobicContact CD2-CZ 4.18Å; L83-F155 HydrophobicContact CG-CE1 4.41Å; L83-F155 HydrophobicContact CG-CE2 4.3Å; L83-F155 HydrophobicContact CG-CZ 4.18Å; L83-L158 HydrophobicContact CD2-CD2 4.31Å; L83-L158 HydrophobicContact CG-CD2 4.41Å
84	S	90.1	Very high	88.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-48.1	171.7	-174.2	0	0	0	0	111.4	V80 W81 E82 N87 S88 L449 T451	V80-S84 WeakPolarHBondContact O-CB 3.33Å; V80-S84 PolarHBondContact O-N 2.99Å; W81-S84 VanDerWaalsContact O-CB 3.28Å; W81-S84 WeakPolarHBondContact O-CB 3.47Å; W81-S84 PolarHBondContact O-N 3.02Å; W81-S84 VanDerWaalsContact O-N 3.11Å; E82-S84 PolarHBondContact O-N 3.43Å; S84-N87 PolarHBondContact O-N 2.81Å; S84-S88 PolarHBondContact O-N 2.96Å; S84-S88 PolarHBondContact O-OG 3.03Å; S84-L449 PolarHBondContact OG-O 2.84Å; S84-T451 VanDerWaalsContact OG-CA 3.28Å; S84-T451 WeakPolarHBondContact OG-CA 3.47Å; S84-T451 WeakPolarHBondContact OG-CB 3.19Å; S84-T451 PolarHBondContact OG-N 3.23Å; S84-T451 PolarHBondContact OG-OG1 3.47Å
85	K	89	Confident	89.9	Confident	70 Å²	70	32.1 Å²	32.1	30%	0.304	17%	0.165	S	C	.	.	H	α-helix	trans	-65.4	-41.1	178.5	-67.8	-171.4	67.1	160.8	0	111.9	W81 E82 S88 R89	W81-K85 HydrophobicContact CD2-CD 4.48Å; W81-K85 HydrophobicContact CH2-CD 4.28Å; W81-K85 HydrophobicContact CZ2-CD 3.85Å; W81-K85 PolarHBondContact O-N 3.17Å; E82-K85 PolarHBondContact O-N 3.47Å; K85-S88 PolarHBondContact O-N 3.49Å; K85-R89 WeakPolarHBondContact O-CG 3.44Å; K85-R89 PolarHBondContact O-N 3Å
86	A	91.9	Very high	90.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-47.5	172.9	0	0	0	0	0	112.1	E82 S88 R89 F90 K139 I143	E82-A86 PolarHBondContact O-N 2.73Å; A86-S88 PolarHBondContact O-N 2.87Å; A86-R89 WeakPolarHBondContact O-CB 3.26Å; A86-R89 PolarHBondContact O-N 3.12Å; A86-F90 PolarHBondContact O-N 2.69Å; A86-K139 WeakPolarHBondContact CB-O 2.93Å; A86-I143 HydrophobicContact CB-CG2 3.79Å
87	N	93.6	Very high	91.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-42.8	176.4	176.2	76.3	0	0	0	112.9	L83 S84 R89 F90 A91 P112 L113 S116 I452	L83-N87 WeakPolarHBondContact O-CB 3.34Å; L83-N87 PolarHBondContact O-N 2.7Å; S84-N87 PolarHBondContact O-N 2.81Å; N87-R89 VanDerWaalsContact C-N 3.33Å; N87-R89 PolarHBondContact O-N 2.99Å; N87-F90 PolarHBondContact O-N 2.93Å; N87-A91 VanDerWaalsContact O-CB 3.32Å; N87-A91 WeakPolarHBondContact O-CB 3.36Å; N87-A91 PolarHBondContact O-N 2.84Å; N87-P112 PolarHBondContact OD1-O 2.79Å; N87-L113 VanDerWaalsContact OD1-CA 3.23Å; N87-L113 WeakPolarHBondContact OD1-CA 3.13Å; N87-L113 PolarHBondContact OD1-N 3.12Å; N87-S116 WeakPolarHBondContact OD1-CB 3.46Å; N87-S116 PolarHBondContact OD1-OG 3.41Å; N87-I452 PolarHBondContact ND2-O 3.36Å
88	S	91.2	Very high	91.9	Very high	15 Å²	15	27.8 Å²	27.8	11%	0.105	12%	0.122	C	C	.	.	H	α-helix	trans	-68.4	-29.9	178.3	-63.7	0	0	0	0	112.8	S84 K85 A86 T92 N450	S84-S88 PolarHBondContact O-N 2.96Å; S84-S88 PolarHBondContact O-OG 3.03Å; K85-S88 PolarHBondContact O-N 3.49Å; A86-S88 PolarHBondContact O-N 2.87Å; S88-T92 PolarHBondContact O-N 3Å; S88-N450 PolarHBondContact OG-O 2.96Å
89	R	92.6	Very high	92.4	Very high	67 Å²	67	22.8 Å²	22.8	25%	0.253	10%	0.104	S	C	.	.	H	α-helix	trans	-68.3	-42.7	170.2	-73	167	163.3	-173.9	-13.7	112.4	E64 K85 A86 N87 A91 T92 T93 K139 T142 P333	E64-R89 IonicContact OE2-CZ 2.85Å; E64-R89 IonicContact OE2-NH1 2.66Å; E64-R89 PolarHBondContact OE2-NH1 3.48Å; E64-R89 IonicContact OE2-NH2 3.67Å; E64-R89 PolarHBondContact OE2-NH2 2.97Å; K85-R89 WeakPolarHBondContact O-CG 3.44Å; K85-R89 PolarHBondContact O-N 3Å; A86-R89 WeakPolarHBondContact O-CB 3.26Å; A86-R89 PolarHBondContact O-N 3.12Å; N87-R89 VanDerWaalsContact C-N 3.33Å; N87-R89 PolarHBondContact O-N 2.99Å; R89-A91 VanDerWaalsContact C-N 3.34Å; R89-T92 PolarHBondContact O-OG1 3.46Å; R89-T93 PolarHBondContact O-OG1 2.84Å; R89-K139 HydrophobicContact CB-CB 4.27Å; R89-K139 HydrophobicContact CB-CG 4.04Å; R89-T142 PolarHBondContact NH1-OG1 2.83Å; R89-P333 HydrophobicContact CG-CG 4.4Å
90	F	95.7	Very high	92.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-42.9	171.9	164.3	-101.9	0	0	0	111.4	A86 N87 T92 T93 F94 P112 V115 S116 F138 K139 L367 M370	A86-F90 PolarHBondContact O-N 2.69Å; N87-F90 PolarHBondContact O-N 2.93Å; F90-T92 PolarHBondContact O-N 3Å; F90-T93 PolarHBondContact O-N 3.44Å; F90-F94 HydrophobicContact CD2-CB 4.31Å; F90-F94 HydrophobicContact CE1-CB 4.14Å; F90-F94 HydrophobicContact CE1-CG 4.33Å; F90-F94 HydrophobicContact CE2-CB 3.75Å; F90-F94 HydrophobicContact CE2-CD2 4.01Å; F90-F94 HydrophobicContact CE2-CG 4.07Å; F90-F94 HydrophobicContact CZ-CB 3.64Å; F90-F94 HydrophobicContact CZ-CD1 4.4Å; F90-F94 AromaticContact CZ-CD2 3.79Å; F90-F94 HydrophobicContact CZ-CD2 3.79Å; F90-F94 AromaticContact CZ-CG 3.64Å; F90-F94 HydrophobicContact CZ-CG 3.64Å; F90-F94 WeakPolarHBondContact O-CB 3.3Å; F90-F94 PolarHBondContact O-N 3.41Å; F90-P112 HydrophobicContact CD1-CB 4.4Å; F90-P112 HydrophobicContact CE1-CB 4.33Å; F90-V115 HydrophobicContact CE1-CB 4.34Å; F90-V115 HydrophobicContact CE1-CG1 4.11Å; F90-V115 HydrophobicContact CZ-CG1 3.95Å; F90-S116 VanDerWaalsContact CD1-OG 3.24Å; F90-S116 WeakPolarHBondContact CD1-OG 3.22Å; F90-F138 HydrophobicContact CD1-CD1 4.08Å; F90-F138 HydrophobicContact CD1-CE1 4.39Å; F90-F138 AromaticContact CD2-CD1 3.65Å; F90-F138 HydrophobicContact CD2-CD1 3.65Å; F90-F138 HydrophobicContact CD2-CE1 4.01Å; F90-F138 HydrophobicContact CD2-CG 4.34Å; F90-F138 HydrophobicContact CE1-CD1 4.01Å; F90-F138 AromaticContact CE1-CE1 3.86Å; F90-F138 HydrophobicContact CE1-CE1 3.86Å; F90-F138 AromaticContact CE2-CD1 3.58Å; F90-F138 HydrophobicContact CE2-CD1 3.58Å; F90-F138 AromaticContact CE2-CE1 3.42Å; F90-F138 HydrophobicContact CE2-CE1 3.42Å; F90-F138 VanDerWaalsContact CE2-CE1 3.42Å; F90-F138 HydrophobicContact CE2-CG 4.46Å; F90-F138 HydrophobicContact CE2-CZ 4.19Å; F90-F138 AromaticContact CG-CD1 3.91Å; F90-F138 HydrophobicContact CG-CD1 3.91Å; F90-F138 HydrophobicContact CG-CE1 4.47Å; F90-F138 AromaticContact CZ-CD1 3.79Å; F90-F138 HydrophobicContact CZ-CD1 3.79Å; F90-F138 AromaticContact CZ-CE1 3.35Å; F90-F138 HydrophobicContact CZ-CE1 3.35Å; F90-F138 HydrophobicContact CZ-CZ 4.28Å; F90-K139 HydrophobicContact CB-CG 4.41Å; F90-L367 HydrophobicContact CE2-CD2 3.96Å; F90-L367 HydrophobicContact CZ-CD2 4.31Å; F90-M370 HydrophobicContact CD2-CE 3.83Å; F90-M370 HydrophobicContact CE2-CE 3.83Å; F90-M370 HydrophobicContact CE2-SD 4.47Å
91	A	95.6	Very high	93	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.9	-47.8	-175.6	0	0	0	0	0	113.3	N87 R89 Y95 P112 I452 M455	N87-A91 VanDerWaalsContact O-CB 3.32Å; N87-A91 WeakPolarHBondContact O-CB 3.36Å; N87-A91 PolarHBondContact O-N 2.84Å; R89-A91 VanDerWaalsContact C-N 3.34Å; A91-Y95 VanDerWaalsContact O-CB 3.23Å; A91-Y95 WeakPolarHBondContact O-CB 3.41Å; A91-Y95 PolarHBondContact O-N 2.85Å; A91-P112 HydrophobicContact CB-CB 3.52Å; A91-P112 HydrophobicContact CB-CG 3.6Å; A91-I452 HydrophobicContact CB-CD1 4.22Å; A91-M455 HydrophobicContact CB-SD 3.87Å
92	T	92.7	Very high	93.3	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-44	-178.9	51.5	0	0	0	0	112.3	S88 R89 F90 Y95 Q96 P333	S88-T92 PolarHBondContact O-N 3Å; R89-T92 PolarHBondContact O-OG1 3.46Å; F90-T92 PolarHBondContact O-N 3Å; T92-Y95 PolarHBondContact O-N 2.84Å; T92-Q96 WeakPolarHBondContact O-CG 3.25Å; T92-Q96 PolarHBondContact O-N 3.34Å; T92-Q96 VanDerWaalsContact O-N 3.1Å; T92-P333 HydrophobicContact CG2-CG 3.86Å; T92-P333 WeakPolarHBondContact OG1-CD 3.44Å; T92-P333 VanDerWaalsContact OG1-CG 3.25Å; T92-P333 WeakPolarHBondContact OG1-CG 3.32Å
93	T	93.9	Very high	93.6	Very high	44 Å²	44	31 Å²	31	27%	0.27	16%	0.16	S	C	.	.	H	α-helix	trans	-65	-47	177.8	-51.8	0	0	0	0	111	R89 F90 Y95 Q96 H97 M370	R89-T93 PolarHBondContact O-OG1 2.84Å; F90-T93 PolarHBondContact O-N 3.44Å; T93-Y95 VanDerWaalsContact C-N 3.27Å; T93-Y95 PolarHBondContact O-N 2.87Å; T93-Q96 PolarHBondContact O-N 3.08Å; T93-Q96 VanDerWaalsContact O-N 3.16Å; T93-H97 PolarHBondContact O-CD2 3.09Å; T93-H97 PolarHBondContact O-N 3.34Å; T93-M370 HydrophobicContact CG2-CE 3.8Å; T93-M370 HydrophobicContact CG2-CG 4.47Å; T93-M370 HydrophobicContact CG2-SD 4.44Å
94	F	96.4	Very high	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-36.6	177.7	-174.5	-94.4	0	0	0	112.1	F90 L98 L110 F361 L363 Q366 L367 M370	F90-F94 HydrophobicContact CD2-CB 4.31Å; F90-F94 HydrophobicContact CE1-CB 4.14Å; F90-F94 HydrophobicContact CE1-CG 4.33Å; F90-F94 HydrophobicContact CE2-CB 3.75Å; F90-F94 HydrophobicContact CE2-CD2 4.01Å; F90-F94 HydrophobicContact CE2-CG 4.07Å; F90-F94 HydrophobicContact CZ-CB 3.64Å; F90-F94 HydrophobicContact CZ-CD1 4.4Å; F90-F94 AromaticContact CZ-CD2 3.79Å; F90-F94 HydrophobicContact CZ-CD2 3.79Å; F90-F94 AromaticContact CZ-CG 3.64Å; F90-F94 HydrophobicContact CZ-CG 3.64Å; F90-F94 WeakPolarHBondContact O-CB 3.3Å; F90-F94 PolarHBondContact O-N 3.41Å; F94-L98 HydrophobicContact CE1-CB 4.31Å; F94-L98 HydrophobicContact CE1-CD2 4.13Å; F94-L98 VanDerWaalsContact O-CB 3.27Å; F94-L98 WeakPolarHBondContact O-CB 3.2Å; F94-L98 PolarHBondContact O-N 2.86Å; F94-L110 HydrophobicContact CD1-CD1 3.65Å; F94-L110 HydrophobicContact CE1-CD1 3.81Å; F94-F361 HydrophobicContact CE1-CE2 4.09Å; F94-F361 HydrophobicContact CZ-CE2 4.16Å; F94-L363 HydrophobicContact CE1-CD2 4.03Å; F94-L363 HydrophobicContact CE2-CD2 4.27Å; F94-L363 HydrophobicContact CZ-CD2 3.45Å; F94-L363 VanDerWaalsContact CZ-CD2 3.45Å; F94-Q366 HydrophobicContact CE2-CB 3.79Å; F94-Q366 HydrophobicContact CZ-CB 4.29Å; F94-L367 HydrophobicContact CD2-CD2 3.96Å; F94-L367 HydrophobicContact CD2-CG 4.42Å; F94-L367 HydrophobicContact CE2-CD2 4.05Å; F94-L367 HydrophobicContact CE2-CG 4.01Å; F94-M370 HydrophobicContact CB-CE 4.23Å; F94-M370 HydrophobicContact CB-SD 3.97Å; F94-M370 HydrophobicContact CD2-SD 3.7Å; F94-M370 HydrophobicContact CG-SD 4.33Å
95	Y	96.4	Very high	93.8	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.024	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-40.4	174.9	-173.4	-89.6	0	0	0	112.8	A91 T92 T93 L98 A99 I108 L110 E328 L441 M455 R457	A91-Y95 VanDerWaalsContact O-CB 3.23Å; A91-Y95 WeakPolarHBondContact O-CB 3.41Å; A91-Y95 PolarHBondContact O-N 2.85Å; T92-Y95 PolarHBondContact O-N 2.84Å; T93-Y95 VanDerWaalsContact C-N 3.27Å; T93-Y95 PolarHBondContact O-N 2.87Å; Y95-L98 PolarHBondContact O-N 3.13Å; Y95-A99 HydrophobicContact CD1-CB 4.44Å; Y95-A99 HydrophobicContact CE1-CB 4.11Å; Y95-A99 VanDerWaalsContact O-CB 3.25Å; Y95-A99 WeakPolarHBondContact O-CB 3.4Å; Y95-A99 PolarHBondContact O-N 2.8Å; Y95-I108 HydrophobicContact CE2-CB 4.32Å; Y95-I108 HydrophobicContact CE2-CG2 3.85Å; Y95-L110 HydrophobicContact CD2-CD2 3.99Å; Y95-L110 HydrophobicContact CE2-CD2 4.33Å; Y95-E328 HydrophobicContact CE1-CB 4.34Å; Y95-E328 HydrophobicContact CE1-CG 3.99Å; Y95-E328 VanDerWaalsContact CE1-OE1 3.3Å; Y95-E328 WeakPolarHBondContact CE1-OE1 3.26Å; Y95-E328 PolarHBondContact OH-OE1 3.38Å; Y95-L441 WeakPolarHBondContact OH-CD2 3.32Å; Y95-M455 VanDerWaalsContact CB-CE 3.41Å; Y95-M455 HydrophobicContact CD1-CE 4.44Å; Y95-M455 HydrophobicContact CD2-CE 3.63Å; Y95-M455 HydrophobicContact CD2-CG 3.83Å; Y95-M455 HydrophobicContact CD2-SD 3.99Å; Y95-M455 HydrophobicContact CE2-CG 4.44Å; Y95-M455 HydrophobicContact CG-CE 3.56Å; Y95-M455 HydrophobicContact CG-SD 4.3Å; Y95-R457 VanDerWaalsContact OH-CB 3.26Å; Y95-R457 WeakPolarHBondContact OH-CB 3.34Å
96	Q	93.8	Very high	94	Very high	60 Å²	60	39 Å²	39	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-63.8	-51.7	178.3	-72.9	172.7	-29.7	0	0	111.1	T92 T93 L98 A99 D100 E328	T92-Q96 WeakPolarHBondContact O-CG 3.25Å; T92-Q96 PolarHBondContact O-N 3.34Å; T92-Q96 VanDerWaalsContact O-N 3.1Å; T93-Q96 PolarHBondContact O-N 3.08Å; T93-Q96 VanDerWaalsContact O-N 3.16Å; Q96-L98 VanDerWaalsContact C-N 3.28Å; Q96-L98 PolarHBondContact O-N 3.12Å; Q96-A99 PolarHBondContact O-N 2.72Å; Q96-A99 VanDerWaalsContact O-N 3.15Å; Q96-D100 PolarHBondContact O-N 3.13Å; Q96-E328 PolarHBondContact NE2-O 3.35Å
97	H	95.3	Very high	94.2	Very high	56 Å²	56	40.1 Å²	40.1	26%	0.259	21%	0.207	S	C	.	.	H	α-helix	trans	-57.5	-39.3	174.1	-76.7	-100.1	0	0	0	112.6	T93 S101 Q366 M370	T93-H97 PolarHBondContact O-CD2 3.09Å; T93-H97 PolarHBondContact O-N 3.34Å; H97-S101 WeakPolarHBondContact O-CB 3.48Å; H97-S101 PolarHBondContact O-N 2.78Å; H97-S101 PolarHBondContact O-OG 3.46Å; H97-Q366 HydrophobicContact CB-CB 4.14Å; H97-Q366 HydrophobicContact CB-CG 4.35Å; H97-M370 VanDerWaalsContact CD2-CG 3.49Å; H97-M370 WeakPolarHBondContact CD2-CG 3.25Å; H97-M370 WeakPolarHBondContact NE2-CG 3.47Å
98	L	96.3	Very high	94.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-41.2	176.9	-177.3	64.6	0	0	0	112.5	F94 Y95 Q96 S101 K102 I108 L110 F361	F94-L98 HydrophobicContact CE1-CB 4.31Å; F94-L98 HydrophobicContact CE1-CD2 4.13Å; F94-L98 VanDerWaalsContact O-CB 3.27Å; F94-L98 WeakPolarHBondContact O-CB 3.2Å; F94-L98 PolarHBondContact O-N 2.86Å; Y95-L98 PolarHBondContact O-N 3.13Å; Q96-L98 VanDerWaalsContact C-N 3.28Å; Q96-L98 PolarHBondContact O-N 3.12Å; L98-S101 PolarHBondContact O-N 2.97Å; L98-S101 PolarHBondContact O-OG 2.8Å; L98-K102 HydrophobicContact CD1-CD 4.16Å; L98-K102 HydrophobicContact CG-CD 4.22Å; L98-K102 PolarHBondContact O-N 2.88Å; L98-I108 HydrophobicContact CD2-CG2 3.65Å; L98-I108 HydrophobicContact CG-CG2 4.26Å; L98-L110 HydrophobicContact CD2-CD1 4.26Å; L98-L110 HydrophobicContact CD2-CD2 3.72Å; L98-L110 HydrophobicContact CD2-CG 4.48Å; L98-F361 HydrophobicContact CD1-CD2 3.66Å; L98-F361 HydrophobicContact CD1-CE1 4.46Å; L98-F361 HydrophobicContact CD1-CE2 3.54Å; L98-F361 HydrophobicContact CD1-CG 4.18Å; L98-F361 HydrophobicContact CD1-CZ 3.98Å; L98-F361 HydrophobicContact CD2-CE1 4.08Å; L98-F361 HydrophobicContact CD2-CE2 3.7Å; L98-F361 HydrophobicContact CD2-CZ 3.41Å; L98-F361 VanDerWaalsContact CD2-CZ 3.41Å; L98-F361 HydrophobicContact CG-CE2 4.28Å; L98-F361 HydrophobicContact CG-CZ 4.36Å
99	A	95.1	Very high	94.6	Very high	7 Å²	7	39.4 Å²	39.4	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-43.5	179.1	0	0	0	0	0	111.8	Y95 Q96 S101 K102 I108	Y95-A99 HydrophobicContact CD1-CB 4.44Å; Y95-A99 HydrophobicContact CE1-CB 4.11Å; Y95-A99 VanDerWaalsContact O-CB 3.25Å; Y95-A99 WeakPolarHBondContact O-CB 3.4Å; Y95-A99 PolarHBondContact O-N 2.8Å; Q96-A99 PolarHBondContact O-N 2.72Å; Q96-A99 VanDerWaalsContact O-N 3.15Å; A99-S101 PolarHBondContact O-N 2.7Å; A99-K102 PolarHBondContact O-N 2.84Å; A99-K102 VanDerWaalsContact O-N 3.14Å; A99-K102 VanDerWaalsContact O-O 3.09Å; A99-I108 HydrophobicContact CB-CD1 3.86Å
100	D	93.7	Very high	94.7	Very high	124 Å²	124	36.2 Å²	36.2	66%	0.663	19%	0.19	S	C	*	.	H	α-helix	trans	-63.1	-27.2	175.3	-70	-28	0	0	0	112.3	Q96	Q96-D100 PolarHBondContact O-N 3.13Å
101	S	94	Very high	94.8	Very high	63 Å²	63	36.3 Å²	36.3	44%	0.441	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.4	176.2	74.1	0	0	0	0	115.4	H97 L98 A99 Q366	H97-S101 WeakPolarHBondContact O-CB 3.48Å; H97-S101 PolarHBondContact O-N 2.78Å; H97-S101 PolarHBondContact O-OG 3.46Å; L98-S101 PolarHBondContact O-N 2.97Å; L98-S101 PolarHBondContact O-OG 2.8Å; A99-S101 PolarHBondContact O-N 2.7Å; S101-Q366 PolarHBondContact OG-NE2 2.81Å
102	K	94.1	Very high	94.8	Very high	46 Å²	46	36.3 Å²	36.3	20%	0.2	19%	0.19	C	C	.	.	S	Bend	trans	-119	162.1	-177.8	-76.7	175.5	169.5	-108.5	0	111.2	L98 A99 I108 D359	L98-K102 HydrophobicContact CD1-CD 4.16Å; L98-K102 HydrophobicContact CG-CD 4.22Å; L98-K102 PolarHBondContact O-N 2.88Å; A99-K102 PolarHBondContact O-N 2.84Å; A99-K102 VanDerWaalsContact O-N 3.14Å; A99-K102 VanDerWaalsContact O-O 3.09Å; K102-I108 HydrophobicContact CB-CD1 4.48Å; K102-I108 HydrophobicContact CD-CD1 4.03Å; K102-I108 HydrophobicContact CD-CG1 3.81Å; K102-D359 IonicContact NZ-OD1 2.72Å; K102-D359 PolarHBondContact NZ-OD1 2.82Å; K102-D359 IonicContact NZ-OD2 4Å; K102-D359 PolarHBondContact NZ-OD2 3.39Å
103	N	93.8	Very high	94.8	Very high	85 Å²	85	36.3 Å²	36.3	46%	0.455	19%	0.19	S	C	.	.			trans	-74.7	143.1	174.5	-156.9	-84.4	0	0	0	110.6	K105 D106 R457	N103-K105 PolarHBondContact O-N 3.47Å; N103-K105 WeakPolarHBondContact OD1-CB 3.5Å; N103-K105 VanDerWaalsContact OD1-CG 3.25Å; N103-K105 WeakPolarHBondContact OD1-CG 3.48Å; N103-K105 PolarHBondContact OD1-N 3.47Å; N103-D106 WeakPolarHBondContact CB-OD2 3.36Å; N103-D106 PolarHBondContact N-OD2 3.32Å; N103-D106 VanDerWaalsContact O-CB 3.31Å; N103-D106 WeakPolarHBondContact O-CB 3.36Å; N103-D106 PolarHBondContact O-N 2.8Å; N103-R457 PolarHBondContact O-NH2 2.71Å
104	D	92.3	Very high	94.7	Very high	59 Å²	59	34.4 Å²	34.4	32%	0.316	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.5	174.4	-91.5	-5.1	0	0	0	114.4	T325 R457	D104-T325 WeakPolarHBondContact OD2-CB 3.3Å; D104-T325 WeakPolarHBondContact OD2-CG2 3.45Å; D104-T325 PolarHBondContact OD2-OG1 2.93Å; D104-R457 IonicContact OD1-CZ 3.13Å; D104-R457 IonicContact OD1-NH1 2.78Å; D104-R457 PolarHBondContact OD1-NH1 2.03Å; D104-R457 IonicContact OD1-NH2 3.21Å
105	K	91.6	Very high	94.6	Very high	105 Å²	105	34.4 Å²	34.4	46%	0.457	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.1	173	-57.9	175.8	-172.3	-142.8	0	113.6	N103 D275 A459	N103-K105 PolarHBondContact O-N 3.47Å; N103-K105 WeakPolarHBondContact OD1-CB 3.5Å; N103-K105 VanDerWaalsContact OD1-CG 3.25Å; N103-K105 WeakPolarHBondContact OD1-CG 3.48Å; N103-K105 PolarHBondContact OD1-N 3.47Å; K105-D275 HydrophobicContact CD-CB 4.15Å; K105-D275 HydrophobicContact CG-CB 4.4Å; K105-D275 IonicContact NZ-OD2 2.63Å; K105-D275 PolarHBondContact NZ-OD2 3.07Å; K105-D275 VanDerWaalsContact NZ-OD2 3.13Å; K105-A459 VanDerWaalsContact O-CB 3.28Å; K105-A459 WeakPolarHBondContact O-CB 3.44Å
106	D	94.4	Very high	94.6	Very high	75 Å²	75	34.1 Å²	34.1	40%	0.401	18%	0.178	S	C	.	.	S	Bend	trans	-82.7	142.6	-176.1	-58.5	-28.9	0	0	0	110.9	N103 R457 A459	N103-D106 WeakPolarHBondContact CB-OD2 3.36Å; N103-D106 PolarHBondContact N-OD2 3.32Å; N103-D106 VanDerWaalsContact O-CB 3.31Å; N103-D106 WeakPolarHBondContact O-CB 3.36Å; N103-D106 PolarHBondContact O-N 2.8Å; D106-R457 PolarHBondContact O-NE 3.26Å; D106-R457 VanDerWaalsContact O-NE 3.11Å; D106-A459 WeakPolarHBondContact O-CB 3.35Å
107	N	95.5	Very high	94.4	Very high	23 Å²	23	31.5 Å²	31.5	12%	0.123	17%	0.166	C	C	.	.			trans	-67.6	144.9	165.5	-67.9	-35.3	0	0	0	109.6	I357 R457 A459 N460	N107-I357 HydrophobicContact CB-CD1 4Å; N107-I357 HydrophobicContact CB-CG1 4.16Å; N107-I357 HydrophobicContact CB-CG2 3.99Å; N107-R457 VanDerWaalsContact CA-O 3.29Å; N107-R457 WeakPolarHBondContact CA-O 3.43Å; N107-A459 PolarHBondContact OD1-N 2.86Å; N107-N460 PolarHBondContact ND2-O 2.7Å; N107-N460 PolarHBondContact OD1-N 3.48Å; N107-N460 PolarHBondContact OD1-O 2.88Å
108	I	96.7	Very high	94.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.5	170.5	-54.3	-173.3	0	0	0	107.3	Y95 L98 A99 K102 L110 D359 G456 R457	Y95-I108 HydrophobicContact CE2-CB 4.32Å; Y95-I108 HydrophobicContact CE2-CG2 3.85Å; L98-I108 HydrophobicContact CD2-CG2 3.65Å; L98-I108 HydrophobicContact CG-CG2 4.26Å; A99-I108 HydrophobicContact CB-CD1 3.86Å; K102-I108 HydrophobicContact CB-CD1 4.48Å; K102-I108 HydrophobicContact CD-CD1 4.03Å; K102-I108 HydrophobicContact CD-CG1 3.81Å; I108-L110 HydrophobicContact CG2-CD2 3.77Å; I108-D359 WeakPolarHBondContact CA-OD2 3.32Å; I108-G456 CarbonylContact O-C 3.56Å; I108-G456 WeakPolarHBondContact O-CA 3.23Å; I108-R457 HydrophobicContact CB-CB 4.1Å; I108-R457 HydrophobicContact CG1-CB 4.21Å; I108-R457 PolarHBondContact N-O 3.04Å; I108-R457 PolarHBondContact O-N 3.4Å
109	F	95.9	Very high	94.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	134	166.7	-169	-111	0	0	0	112.4	I357 D359 A403 L405 V442 I444 F454 M455	F109-I357 HydrophobicContact CB-CB 4.48Å; F109-I357 HydrophobicContact CB-CG2 3.66Å; F109-D359 HydrophobicContact CB-CB 4.22Å; F109-D359 PolarHBondContact N-OD2 3.11Å; F109-A403 HydrophobicContact CD1-CB 3.59Å; F109-A403 HydrophobicContact CE1-CB 3.99Å; F109-L405 HydrophobicContact CD1-CB 3.94Å; F109-L405 HydrophobicContact CD2-CB 4.21Å; F109-L405 HydrophobicContact CD2-CD2 4.08Å; F109-L405 HydrophobicContact CE1-CB 3.66Å; F109-L405 HydrophobicContact CE2-CB 3.94Å; F109-L405 HydrophobicContact CE2-CD2 3.68Å; F109-L405 HydrophobicContact CE2-CG 4.29Å; F109-L405 HydrophobicContact CG-CB 4.21Å; F109-L405 HydrophobicContact CZ-CB 3.65Å; F109-L405 HydrophobicContact CZ-CD1 4.31Å; F109-L405 HydrophobicContact CZ-CD2 4.12Å; F109-L405 HydrophobicContact CZ-CG 4.24Å; F109-V442 HydrophobicContact CD2-CG2 4.38Å; F109-I444 HydrophobicContact CZ-CD1 4.42Å; F109-F454 AromaticContact CE1-CD1 3.53Å; F109-F454 HydrophobicContact CE1-CD1 3.53Å; F109-F454 HydrophobicContact CE1-CE1 4Å; F109-F454 HydrophobicContact CE1-CG 4.33Å; F109-F454 HydrophobicContact CE2-CB 3.7Å; F109-F454 HydrophobicContact CE2-CD1 4.19Å; F109-F454 HydrophobicContact CE2-CG 4.24Å; F109-F454 HydrophobicContact CZ-CB 3.57Å; F109-F454 AromaticContact CZ-CD1 3.25Å; F109-F454 HydrophobicContact CZ-CD1 3.25Å; F109-F454 HydrophobicContact CZ-CE1 4.02Å; F109-F454 AromaticContact CZ-CG 3.58Å; F109-F454 HydrophobicContact CZ-CG 3.58Å; F109-M455 WeakPolarHBondContact CD2-O 3.17Å
110	L	96.2	Very high	94	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	162.4	179.7	63	153.7	0	0	0	113	F94 Y95 L98 I108 F361 F454 M455	F94-L110 HydrophobicContact CD1-CD1 3.65Å; F94-L110 HydrophobicContact CE1-CD1 3.81Å; Y95-L110 HydrophobicContact CD2-CD2 3.99Å; Y95-L110 HydrophobicContact CE2-CD2 4.33Å; L98-L110 HydrophobicContact CD2-CD1 4.26Å; L98-L110 HydrophobicContact CD2-CD2 3.72Å; L98-L110 HydrophobicContact CD2-CG 4.48Å; I108-L110 HydrophobicContact CG2-CD2 3.77Å; L110-F361 HydrophobicContact CB-CZ 4.01Å; L110-F454 VanDerWaalsContact O-CA 3.22Å; L110-F454 WeakPolarHBondContact O-CA 3.49Å; L110-F454 WeakPolarHBondContact O-CB 3.24Å; L110-M455 HydrophobicContact CD1-CG 4.35Å; L110-M455 HydrophobicContact CD1-SD 4.47Å; L110-M455 HydrophobicContact CD2-CG 3.77Å; L110-M455 HydrophobicContact CG-CG 3.86Å; L110-M455 PolarHBondContact N-O 3.17Å; L110-M455 PolarHBondContact O-N 3.09Å
111	S	96.4	Very high	93.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	12%	0.119	C	C	.	.			trans	-108.6	97.8	162.4	-178.5	0	0	0	0	110.3	L113 S114 V115 H401 I453	S111-L113 PolarHBondContact O-N 3.12Å; S111-S114 PolarHBondContact O-N 2.92Å; S111-S114 WeakPolarHBondContact OG-CB 3.42Å; S111-S114 PolarHBondContact OG-N 2.97Å; S111-S114 VanDerWaalsContact OG-N 3.07Å; S111-V115 WeakPolarHBondContact O-CG2 3.42Å; S111-V115 PolarHBondContact O-N 2.78Å; S111-H401 PolarHBondContact N-NE2 3.03Å; S111-I453 VanDerWaalsContact CA-O 3.27Å; S111-I453 WeakPolarHBondContact CA-O 3.4Å; S111-I453 VanDerWaalsContact CB-O 3.28Å; S111-I453 WeakPolarHBondContact CB-O 3.46Å; S111-I453 PolarHBondContact OG-O 3.25Å
112	P	95.6	Very high	93.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.8	-33.1	175.4	27	-35.3	0	0	0	111	N87 F90 A91 S114 V115 S116 I452 M455	N87-P112 PolarHBondContact OD1-O 2.79Å; F90-P112 HydrophobicContact CD1-CB 4.4Å; F90-P112 HydrophobicContact CE1-CB 4.33Å; A91-P112 HydrophobicContact CB-CB 3.52Å; A91-P112 HydrophobicContact CB-CG 3.6Å; P112-S114 PolarHBondContact O-N 2.86Å; P112-V115 PolarHBondContact O-N 2.85Å; P112-S116 WeakPolarHBondContact O-CB 3.33Å; P112-S116 PolarHBondContact O-N 2.86Å; P112-S116 PolarHBondContact O-OG 2.96Å; P112-I452 HydrophobicContact CG-CB 4.49Å; P112-I452 HydrophobicContact CG-CG2 3.83Å; P112-M455 HydrophobicContact CB-SD 4.36Å; P112-M455 HydrophobicContact CG-CG 4.36Å; P112-M455 HydrophobicContact CG-SD 3.84Å
113	L	93.1	Very high	93.6	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-43.6	172.3	177.1	67.7	0	0	0	113.1	N87 S111 V115 T117 F155 L158 L162 T451 I453	N87-L113 VanDerWaalsContact OD1-CA 3.23Å; N87-L113 WeakPolarHBondContact OD1-CA 3.13Å; N87-L113 PolarHBondContact OD1-N 3.12Å; S111-L113 PolarHBondContact O-N 3.12Å; L113-V115 VanDerWaalsContact C-N 3.35Å; L113-T117 WeakPolarHBondContact O-CB 3.49Å; L113-T117 PolarHBondContact O-N 2.72Å; L113-T117 PolarHBondContact O-OG1 2.99Å; L113-F155 HydrophobicContact CD1-CE1 4.41Å; L113-L158 HydrophobicContact CD1-CD2 3.64Å; L113-L158 HydrophobicContact CD1-CG 4.25Å; L113-L162 HydrophobicContact CD2-CD1 3.28Å; L113-T451 HydrophobicContact CD1-CG2 4.27Å; L113-T451 HydrophobicContact CD2-CG2 4.27Å; L113-I453 HydrophobicContact CD2-CG2 4.21Å
114	S	92.4	Very high	93.5	Very high	4 Å²	4	13.9 Å²	13.9	3%	0.028	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-44.1	176.1	-162.8	0	0	0	0	110	S111 P112 T117 A118 N176 N249	S111-S114 PolarHBondContact O-N 2.92Å; S111-S114 WeakPolarHBondContact OG-CB 3.42Å; S111-S114 PolarHBondContact OG-N 2.97Å; S111-S114 VanDerWaalsContact OG-N 3.07Å; P112-S114 PolarHBondContact O-N 2.86Å; S114-T117 WeakPolarHBondContact O-CB 3.2Å; S114-T117 PolarHBondContact O-N 2.85Å; S114-A118 WeakPolarHBondContact O-CB 3.33Å; S114-A118 PolarHBondContact O-N 3.39Å; S114-N176 PolarHBondContact OG-ND2 2.68Å; S114-N176 PolarHBondContact OG-OD1 2.7Å; S114-N249 VanDerWaalsContact CB-OD1 3.32Å; S114-N249 WeakPolarHBondContact CB-OD1 3.07Å; S114-N249 PolarHBondContact O-ND2 2.8Å; S114-N249 VanDerWaalsContact OG-CG 3.29Å; S114-N249 PolarHBondContact OG-ND2 3.47Å; S114-N249 VanDerWaalsContact OG-ND2 3.17Å; S114-N249 PolarHBondContact OG-OD1 3.49Å
115	V	95	Very high	93.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.4	-50.4	178.4	177	0	0	0	0	110.9	F90 S111 P112 L113 T117 A118 F119 F138 N249 L363 H401	F90-V115 HydrophobicContact CE1-CB 4.34Å; F90-V115 HydrophobicContact CE1-CG1 4.11Å; F90-V115 HydrophobicContact CZ-CG1 3.95Å; S111-V115 WeakPolarHBondContact O-CG2 3.42Å; S111-V115 PolarHBondContact O-N 2.78Å; P112-V115 PolarHBondContact O-N 2.85Å; L113-V115 VanDerWaalsContact C-N 3.35Å; V115-T117 VanDerWaalsContact C-N 3.31Å; V115-T117 PolarHBondContact O-N 3.07Å; V115-A118 PolarHBondContact O-N 3.12Å; V115-F119 HydrophobicContact CG1-CD2 4.08Å; V115-F119 HydrophobicContact CG1-CE2 4.23Å; V115-F119 WeakPolarHBondContact O-CD2 3.49Å; V115-F119 PolarHBondContact O-N 3.25Å; V115-F138 HydrophobicContact CG1-CE1 4.13Å; V115-N249 PolarHBondContact N-ND2 2.94Å; V115-L363 HydrophobicContact CG1-CD1 3.83Å; V115-L363 HydrophobicContact CG1-CD2 4.45Å; V115-L363 HydrophobicContact CG2-CD1 4.06Å; V115-L363 HydrophobicContact CG2-CD2 4.19Å; V115-H401 HydrophobicContact CG2-CB 4.48Å
116	S	95.1	Very high	93.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-55.4	-42.5	173	-60.9	0	0	0	0	112.9	N87 F90 P112 A118 A120	N87-S116 WeakPolarHBondContact OD1-CB 3.46Å; N87-S116 PolarHBondContact OD1-OG 3.41Å; F90-S116 VanDerWaalsContact CD1-OG 3.24Å; F90-S116 WeakPolarHBondContact CD1-OG 3.22Å; P112-S116 WeakPolarHBondContact O-CB 3.33Å; P112-S116 PolarHBondContact O-N 2.86Å; P112-S116 PolarHBondContact O-OG 2.96Å; S116-A118 VanDerWaalsContact C-N 3.31Å; S116-A118 PolarHBondContact O-N 2.75Å; S116-A120 WeakPolarHBondContact O-CB 3.32Å; S116-A120 PolarHBondContact O-N 2.97Å
117	T	90.9	Very high	93.6	Very high	5 Å²	5	2.8 Å²	2.8	3%	0.031	2%	0.016	C	C	.	.	H	α-helix	trans	-61	-41.2	175.2	-63.9	0	0	0	0	111.3	L113 S114 V115 A120 M121 F155 N159 Y198	L113-T117 WeakPolarHBondContact O-CB 3.49Å; L113-T117 PolarHBondContact O-N 2.72Å; L113-T117 PolarHBondContact O-OG1 2.99Å; S114-T117 WeakPolarHBondContact O-CB 3.2Å; S114-T117 PolarHBondContact O-N 2.85Å; V115-T117 VanDerWaalsContact C-N 3.31Å; V115-T117 PolarHBondContact O-N 3.07Å; T117-A120 WeakPolarHBondContact O-CB 3.46Å; T117-A120 PolarHBondContact O-N 2.89Å; T117-M121 WeakPolarHBondContact O-CG 3.43Å; T117-M121 PolarHBondContact O-N 2.83Å; T117-F155 WeakPolarHBondContact OG1-CD1 3.46Å; T117-N159 WeakPolarHBondContact CG2-ND2 3.29Å; T117-N159 PolarHBondContact OG1-ND2 3.04Å; T117-N159 VanDerWaalsContact OG1-ND2 3.13Å; T117-Y198 HydrophobicContact CG2-CD1 3.74Å; T117-Y198 HydrophobicContact CG2-CE1 3.79Å; T117-Y198 WeakPolarHBondContact O-CE1 3.43Å
118	A	91	Very high	93.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-74	-38.1	-175.5	0	0	0	0	0	113.1	S114 V115 S116 A120 M121 L247 N249	S114-A118 WeakPolarHBondContact O-CB 3.33Å; S114-A118 PolarHBondContact O-N 3.39Å; V115-A118 PolarHBondContact O-N 3.12Å; S116-A118 VanDerWaalsContact C-N 3.31Å; S116-A118 PolarHBondContact O-N 2.75Å; A118-A120 VanDerWaalsContact C-N 3.32Å; A118-M121 HydrophobicContact CB-CE 4.03Å; A118-M121 WeakPolarHBondContact O-CB 3.32Å; A118-M121 PolarHBondContact O-N 3.49Å; A118-L247 HydrophobicContact CB-CD1 4.09Å; A118-L247 HydrophobicContact CB-CD2 3.95Å; A118-L247 HydrophobicContact CB-CG 4.24Å; A118-N249 HydrophobicContact CB-CB 4.43Å; A118-N249 WeakPolarHBondContact CB-ND2 3.2Å
119	F	94.4	Very high	93.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-76.9	-18.3	171.1	-76.5	-95.8	0	0	0	113	V115 M121 T122 K123 L134 F138 L247 L363 L367 L372 L375 F376 A399	V115-F119 HydrophobicContact CG1-CD2 4.08Å; V115-F119 HydrophobicContact CG1-CE2 4.23Å; V115-F119 WeakPolarHBondContact O-CD2 3.49Å; V115-F119 PolarHBondContact O-N 3.25Å; F119-M121 PolarHBondContact O-N 3.49Å; F119-T122 PolarHBondContact O-N 3.04Å; F119-T122 PolarHBondContact O-OG1 3.07Å; F119-K123 WeakPolarHBondContact O-CB 3.08Å; F119-K123 PolarHBondContact O-N 2.72Å; F119-L134 HydrophobicContact CB-CD2 4.2Å; F119-L134 HydrophobicContact CD1-CD2 3.95Å; F119-F138 HydrophobicContact CB-CD2 4.05Å; F119-F138 HydrophobicContact CB-CE1 3.94Å; F119-F138 HydrophobicContact CB-CE2 3.4Å; F119-F138 HydrophobicContact CB-CZ 3.35Å; F119-F138 AromaticContact CD1-CE2 3.79Å; F119-F138 HydrophobicContact CD1-CE2 3.79Å; F119-F138 AromaticContact CD1-CZ 3.82Å; F119-F138 HydrophobicContact CD1-CZ 3.82Å; F119-F138 HydrophobicContact CD2-CE1 4.14Å; F119-F138 HydrophobicContact CD2-CE2 4.27Å; F119-F138 AromaticContact CD2-CZ 3.51Å; F119-F138 HydrophobicContact CD2-CZ 3.51Å; F119-F138 HydrophobicContact CE2-CZ 4.25Å; F119-F138 HydrophobicContact CG-CE1 4.13Å; F119-F138 AromaticContact CG-CE2 3.55Å; F119-F138 HydrophobicContact CG-CE2 3.55Å; F119-F138 AromaticContact CG-CZ 3.26Å; F119-F138 HydrophobicContact CG-CZ 3.26Å; F119-L247 HydrophobicContact CD1-CD2 4.36Å; F119-L247 HydrophobicContact CD2-CD2 3.71Å; F119-L247 HydrophobicContact CE1-CD2 4.2Å; F119-L247 HydrophobicContact CE2-CD2 3.5Å; F119-L247 HydrophobicContact CG-CD2 4.14Å; F119-L247 HydrophobicContact CZ-CD2 3.77Å; F119-L363 HydrophobicContact CE2-CD1 3.76Å; F119-L363 HydrophobicContact CZ-CD1 4.47Å; F119-L367 HydrophobicContact CD1-CD1 4.48Å; F119-L367 HydrophobicContact CD2-CD1 4.31Å; F119-L367 HydrophobicContact CE1-CD1 3.77Å; F119-L367 HydrophobicContact CE2-CD1 3.57Å; F119-L367 HydrophobicContact CZ-CD1 3.25Å; F119-L372 HydrophobicContact CD1-CD2 3.96Å; F119-L372 HydrophobicContact CE1-CD2 3.86Å; F119-L375 HydrophobicContact CD1-CD2 3.81Å; F119-L375 HydrophobicContact CE1-CD2 3.63Å; F119-F376 HydrophobicContact CE1-CZ 4.09Å; F119-F376 HydrophobicContact CZ-CZ 4.23Å; F119-A399 HydrophobicContact CE2-CB 4.14Å; F119-A399 HydrophobicContact CZ-CB 3.59Å
120	A	91.8	Very high	93.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.5	-24.6	162.5	0	0	0	0	0	112.5	S116 T117 A118 L124 F140 H152 F155 Y198	S116-A120 WeakPolarHBondContact O-CB 3.32Å; S116-A120 PolarHBondContact O-N 2.97Å; T117-A120 WeakPolarHBondContact O-CB 3.46Å; T117-A120 PolarHBondContact O-N 2.89Å; A118-A120 VanDerWaalsContact C-N 3.32Å; A120-L124 PolarHBondContact O-N 3.22Å; A120-F140 HydrophobicContact CB-CE2 4.48Å; A120-H152 PolarHBondContact O-CE1 2.88Å; A120-H152 PolarHBondContact O-ND1 2.93Å; A120-F155 HydrophobicContact CB-CD2 3.47Å; A120-F155 VanDerWaalsContact CB-CD2 3.47Å; A120-F155 HydrophobicContact CB-CE2 3.49Å; A120-F155 VanDerWaalsContact CB-CE2 3.49Å; A120-F155 HydrophobicContact CB-CG 4.28Å; A120-F155 HydrophobicContact CB-CZ 4.32Å; A120-Y198 VanDerWaalsContact C-OH 3.28Å; A120-Y198 WeakPolarHBondContact CB-OH 3.38Å; A120-Y198 PolarHBondContact O-OH 3.34Å
121	M	89.4	Confident	93.5	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.015	7%	0.065	C	C	.	.	H	α-helix	trans	-71.6	-33.1	172.6	-52.3	-164.9	-75	0	0	112.7	T117 A118 F119 N176 L178 Y190 Y198 L247	T117-M121 WeakPolarHBondContact O-CG 3.43Å; T117-M121 PolarHBondContact O-N 2.83Å; A118-M121 HydrophobicContact CB-CE 4.03Å; A118-M121 WeakPolarHBondContact O-CB 3.32Å; A118-M121 PolarHBondContact O-N 3.49Å; F119-M121 PolarHBondContact O-N 3.49Å; M121-N176 HydrophobicContact CE-CB 4.16Å; M121-L178 HydrophobicContact CB-CD1 3.7Å; M121-L178 HydrophobicContact CE-CD1 3.57Å; M121-L178 HydrophobicContact CG-CD1 4.42Å; M121-L178 HydrophobicContact SD-CD1 3.96Å; M121-Y190 VanDerWaalsContact O-CE2 3.32Å; M121-Y190 WeakPolarHBondContact O-CE2 3.19Å; M121-Y190 PolarHBondContact O-OH 2.93Å; M121-Y198 HydrophobicContact CB-CD2 4.38Å; M121-Y198 HydrophobicContact CB-CE2 4.24Å; M121-Y198 HydrophobicContact CG-CD1 3.58Å; M121-Y198 HydrophobicContact CG-CD2 3.6Å; M121-Y198 HydrophobicContact CG-CE1 3.66Å; M121-Y198 HydrophobicContact CG-CE2 3.71Å; M121-Y198 HydrophobicContact CG-CG 3.54Å; M121-Y198 VanDerWaalsContact SD-CB 3.6Å; M121-Y198 HydrophobicContact SD-CD1 3.94Å; M121-Y198 HydrophobicContact SD-CD2 4.01Å; M121-Y198 HydrophobicContact SD-CG 3.59Å; M121-Y198 VanDerWaalsContact SD-CG 3.59Å; M121-L247 HydrophobicContact CE-CD1 3.7Å
122	T	91.1	Very high	93.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-78	-39.3	173.9	53.3	0	0	0	0	111.2	F119 L124 G125 A126 L178 V396	F119-T122 PolarHBondContact O-N 3.04Å; F119-T122 PolarHBondContact O-OG1 3.07Å; T122-L124 PolarHBondContact O-N 3.21Å; T122-L124 VanDerWaalsContact O-N 3.1Å; T122-G125 PolarHBondContact O-N 2.94Å; T122-A126 PolarHBondContact O-N 2.77Å; T122-L178 HydrophobicContact CG2-CD2 3.96Å; T122-V396 HydrophobicContact CG2-CG2 4.28Å
123	K	93.8	Very high	93.6	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-52.9	-31.3	174.8	-175.8	-92.4	170.1	-177.3	0	113.5	F119 G125 A126 L131 L134 M135 S148 I151 H152	F119-K123 WeakPolarHBondContact O-CB 3.08Å; F119-K123 PolarHBondContact O-N 2.72Å; K123-G125 PolarHBondContact O-N 3.01Å; K123-A126 PolarHBondContact O-N 2.64Å; K123-L131 HydrophobicContact CD-CD1 4.26Å; K123-L131 HydrophobicContact CG-CD1 3.74Å; K123-L134 HydrophobicContact CB-CD1 4.09Å; K123-M135 HydrophobicContact CD-SD 4.42Å; K123-M135 HydrophobicContact CG-SD 4.26Å; K123-S148 PolarHBondContact NZ-O 2.9Å; K123-I151 HydrophobicContact CD-CG2 3.84Å; K123-H152 WeakPolarHBondContact CD-CE1 3.14Å; K123-H152 WeakPolarHBondContact CD-NE2 3.39Å; K123-H152 PolarHBondContact NZ-NE2 3.47Å
124	L	91.6	Very high	93.8	Very high	8 Å²	8	16.8 Å²	16.8	4%	0.042	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-34.6	178.5	176.4	62.7	0	0	0	112.8	P51 A120 T122 H152 Y190 I193	P51-L124 HydrophobicContact CB-CD1 4.41Å; A120-L124 PolarHBondContact O-N 3.22Å; T122-L124 PolarHBondContact O-N 3.21Å; T122-L124 VanDerWaalsContact O-N 3.1Å; L124-H152 VanDerWaalsContact CA-CE1 3.45Å; L124-H152 WeakPolarHBondContact CA-CE1 3.36Å; L124-H152 PolarHBondContact N-CE1 3.36Å; L124-Y190 HydrophobicContact CB-CD2 4.31Å; L124-Y190 HydrophobicContact CB-CE2 4Å; L124-Y190 HydrophobicContact CD2-CD2 3.7Å; L124-Y190 HydrophobicContact CD2-CE2 3.82Å; L124-Y190 HydrophobicContact CG-CD2 3.87Å; L124-Y190 HydrophobicContact CG-CE2 4.04Å; L124-I193 HydrophobicContact CD1-CG2 4.09Å; L124-I193 HydrophobicContact CD2-CB 4Å; L124-I193 HydrophobicContact CD2-CG2 3.54Å; L124-I193 HydrophobicContact CG-CG2 4.49Å
125	G	91.6	Very high	93.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	2.4	179.4	0	0	0	0	0	115.1	T122 K123 L383 P384 G385	T122-G125 PolarHBondContact O-N 2.94Å; K123-G125 PolarHBondContact O-N 3.01Å; G125-L383 CarbonylContact O-C 3.58Å; G125-L383 VanDerWaalsContact O-CA 3.3Å; G125-L383 WeakPolarHBondContact O-CA 3.48Å; G125-P384 WeakPolarHBondContact O-CD 3.46Å; G125-G385 PolarHBondContact O-N 2.95Å
126	A	93.9	Very high	93.9	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	10%	0.1	C	C	.	.			trans	-84.5	148.9	-174.9	0	0	0	0	0	113.3	C53 T122 K123 T130 L131 L134 K382 L383	C53-A126 WeakPolarHBondContact CB-O 3.35Å; T122-A126 PolarHBondContact O-N 2.77Å; K123-A126 PolarHBondContact O-N 2.64Å; A126-T130 HydrophobicContact CB-CG2 4.39Å; A126-L131 HydrophobicContact CB-CB 4.09Å; A126-L134 HydrophobicContact CB-CD1 3.65Å; A126-K382 CarbonylContact C-O 3.56Å; A126-K382 WeakPolarHBondContact CA-O 3.49Å; A126-L383 HydrophobicContact CB-CD2 3.85Å
127	C	93.5	Very high	94	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.027	10%	0.101	C	C	.	.			trans	-133.7	171.3	176.9	-71.7	0	0	0	0	111.8	C53 T130 L131 K382 P384	C53-C127 HydrophobicContact CB-CB 3.82Å; C53-C127 WeakPolarHBondContact CB-SG 3.29Å; C53-C127 WeakPolarHBondContact SG-CB 2.98Å; C53-C127 CovalentContact SG-SG 2.03Å; C53-C127 PolarHBondContact SG-SG 2.98Å; C127-T130 WeakPolarHBondContact O-CB 3.32Å; C127-T130 PolarHBondContact O-N 2.96Å; C127-L131 PolarHBondContact O-N 3.33Å; C127-K382 HydrophobicContact CB-CB 4.33Å; C127-K382 PolarHBondContact N-O 3.01Å; C127-P384 HydrophobicContact CB-CG 4Å; C127-P384 WeakPolarHBondContact SG-CG 3.43Å
128	N	94	Very high	94.3	Very high	118 Å²	118	19.9 Å²	19.9	63%	0.631	10%	0.1	S	C	*	.	H	α-helix	trans	48.1	-138.4	171.9	-63	48.8	0	0	0	113.4	T130 L131 K132	N128-T130 VanDerWaalsContact C-N 3.3Å; N128-T130 PolarHBondContact O-N 3.08Å; N128-L131 WeakPolarHBondContact O-CB 3.34Å; N128-L131 PolarHBondContact O-N 2.93Å; N128-L131 VanDerWaalsContact O-N 3.13Å; N128-K132 PolarHBondContact O-N 2.98Å
129	D	96.3	Very high	94.5	Very high	90 Å²	90	22.3 Å²	22.3	48%	0.481	11%	0.111	S	C	.	.	H	α-helix	trans	-68.3	-26.6	-175.6	-66.1	-64.9	0	0	0	113.2	L131 K132 Q133	D129-L131 VanDerWaalsContact C-N 3.35Å; D129-L131 PolarHBondContact O-N 2.92Å; D129-K132 PolarHBondContact O-N 2.92Å; D129-Q133 WeakPolarHBondContact O-CB 3.29Å; D129-Q133 VanDerWaalsContact O-CG 3.29Å; D129-Q133 WeakPolarHBondContact O-CG 3.31Å; D129-Q133 PolarHBondContact O-N 2.96Å
130	T	96.4	Very high	94.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-60.6	-43.7	169.1	-51.4	0	0	0	0	111.4	A126 C127 N128 L134 L375 K382 L383	A126-T130 HydrophobicContact CB-CG2 4.39Å; C127-T130 WeakPolarHBondContact O-CB 3.32Å; C127-T130 PolarHBondContact O-N 2.96Å; N128-T130 VanDerWaalsContact C-N 3.3Å; N128-T130 PolarHBondContact O-N 3.08Å; T130-L134 WeakPolarHBondContact O-CB 3.37Å; T130-L134 WeakPolarHBondContact O-CG 3.39Å; T130-L134 PolarHBondContact O-N 3.4Å; T130-L134 VanDerWaalsContact O-N 3.11Å; T130-L375 HydrophobicContact CG2-CB 4.03Å; T130-L375 HydrophobicContact CG2-CD1 3.67Å; T130-L375 HydrophobicContact CG2-CG 4.47Å; T130-K382 PolarHBondContact OG1-N 3.11Å; T130-L383 HydrophobicContact CG2-CD2 4.35Å
131	L	95.8	Very high	94.4	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-67.6	-41	174.4	172.1	60.8	0	0	0	111.7	C53 K123 A126 C127 N128 D129 L134 M135	C53-L131 HydrophobicContact CB-CD2 3.89Å; K123-L131 HydrophobicContact CD-CD1 4.26Å; K123-L131 HydrophobicContact CG-CD1 3.74Å; A126-L131 HydrophobicContact CB-CB 4.09Å; C127-L131 PolarHBondContact O-N 3.33Å; N128-L131 WeakPolarHBondContact O-CB 3.34Å; N128-L131 PolarHBondContact O-N 2.93Å; N128-L131 VanDerWaalsContact O-N 3.13Å; D129-L131 VanDerWaalsContact C-N 3.35Å; D129-L131 PolarHBondContact O-N 2.92Å; L131-L134 PolarHBondContact O-N 3.46Å; L131-M135 HydrophobicContact CD1-CG 4.09Å; L131-M135 VanDerWaalsContact O-CG 3.25Å; L131-M135 WeakPolarHBondContact O-CG 3.41Å; L131-M135 PolarHBondContact O-N 2.8Å
132	K	96.1	Very high	94.3	Very high	81 Å²	81	26.6 Å²	26.6	35%	0.352	14%	0.135	S	C	.	.	H	α-helix	trans	-58	-54.1	175.9	176	-176.5	173	-167.5	0	111.5	Y55 N128 D129 L134 M135 E136	Y55-K132 HydrophobicContact CD2-CB 4.46Å; Y55-K132 HydrophobicContact CE2-CB 4.07Å; Y55-K132 HydrophobicContact CE2-CG 3.98Å; N128-K132 PolarHBondContact O-N 2.98Å; D129-K132 PolarHBondContact O-N 2.92Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 2.88Å; K132-M135 PolarHBondContact O-N 2.88Å; K132-E136 VanDerWaalsContact CE-CD 3.42Å; K132-E136 WeakPolarHBondContact CE-OE1 3.37Å; K132-E136 VanDerWaalsContact CE-OE2 3.25Å; K132-E136 WeakPolarHBondContact CE-OE2 3.44Å; K132-E136 HydrophobicContact CG-CG 4.43Å; K132-E136 WeakPolarHBondContact CG-OE1 3.37Å; K132-E136 WeakPolarHBondContact O-CG 2.95Å; K132-E136 PolarHBondContact O-N 3.39Å
133	Q	97.8	Very high	94.1	Very high	30 Å²	30	27.1 Å²	27.1	14%	0.14	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-42.1	179.2	-69.3	170.5	11.6	0	0	111.4	D129 M135 E136 V137 G371 L372 D374	D129-Q133 WeakPolarHBondContact O-CB 3.29Å; D129-Q133 VanDerWaalsContact O-CG 3.29Å; D129-Q133 WeakPolarHBondContact O-CG 3.31Å; D129-Q133 PolarHBondContact O-N 2.96Å; Q133-M135 VanDerWaalsContact C-N 3.27Å; Q133-M135 PolarHBondContact O-N 2.89Å; Q133-E136 PolarHBondContact O-N 2.81Å; Q133-V137 VanDerWaalsContact O-CB 3.23Å; Q133-V137 WeakPolarHBondContact O-CB 3.39Å; Q133-V137 WeakPolarHBondContact O-CG2 3.45Å; Q133-V137 PolarHBondContact O-N 3.01Å; Q133-G371 PolarHBondContact OE1-O 2.87Å; Q133-L372 HydrophobicContact CB-CD1 3.83Å; Q133-D374 PolarHBondContact NE2-OD1 3.38Å
134	L	97	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.2	-37.4	173.4	-81.6	170.3	0	0	0	113	F119 K123 A126 T130 L131 K132 F138 L372 L375	F119-L134 HydrophobicContact CB-CD2 4.2Å; F119-L134 HydrophobicContact CD1-CD2 3.95Å; K123-L134 HydrophobicContact CB-CD1 4.09Å; A126-L134 HydrophobicContact CB-CD1 3.65Å; T130-L134 WeakPolarHBondContact O-CB 3.37Å; T130-L134 WeakPolarHBondContact O-CG 3.39Å; T130-L134 PolarHBondContact O-N 3.4Å; T130-L134 VanDerWaalsContact O-N 3.11Å; L131-L134 PolarHBondContact O-N 3.46Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 2.88Å; L134-F138 HydrophobicContact CD2-CD2 4.18Å; L134-F138 HydrophobicContact CD2-CE2 3.99Å; L134-F138 WeakPolarHBondContact O-CD2 3.28Å; L134-F138 PolarHBondContact O-N 3.29Å; L134-L372 HydrophobicContact CD2-CD1 3.87Å; L134-L372 HydrophobicContact CD2-CD2 4.13Å; L134-L372 HydrophobicContact CG-CD1 3.87Å; L134-L375 HydrophobicContact CD1-CD1 4.47Å; L134-L375 HydrophobicContact CD2-CD2 4.04Å
135	M	95.6	Very high	92.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-74.5	-42.7	179.4	-66.7	-67.7	-65	0	0	112	Y55 K123 L131 K132 Q133 K139 F140 D141 S148	Y55-M135 HydrophobicContact CD1-CB 3.84Å; Y55-M135 HydrophobicContact CD1-CE 3.81Å; Y55-M135 HydrophobicContact CD1-CG 3.77Å; Y55-M135 HydrophobicContact CD2-CB 4.45Å; Y55-M135 HydrophobicContact CD2-CG 4.28Å; Y55-M135 HydrophobicContact CE1-CB 3.96Å; Y55-M135 HydrophobicContact CE1-CG 4.4Å; Y55-M135 HydrophobicContact CG-CB 4.09Å; Y55-M135 HydrophobicContact CG-CE 4.42Å; Y55-M135 HydrophobicContact CG-CG 3.68Å; K123-M135 HydrophobicContact CD-SD 4.42Å; K123-M135 HydrophobicContact CG-SD 4.26Å; L131-M135 HydrophobicContact CD1-CG 4.09Å; L131-M135 VanDerWaalsContact O-CG 3.25Å; L131-M135 WeakPolarHBondContact O-CG 3.41Å; L131-M135 PolarHBondContact O-N 2.8Å; K132-M135 PolarHBondContact O-N 2.88Å; Q133-M135 VanDerWaalsContact C-N 3.27Å; Q133-M135 PolarHBondContact O-N 2.89Å; M135-K139 CarbonylContact O-C 3.54Å; M135-K139 PolarHBondContact O-N 2.97Å; M135-F140 HydrophobicContact CE-CB 3.58Å; M135-F140 WeakPolarHBondContact CE-O 3.4Å; M135-F140 PolarHBondContact O-N 2.92Å; M135-F140 HydrophobicContact SD-CB 3.67Å; M135-F140 HydrophobicContact SD-CD2 4.16Å; M135-F140 HydrophobicContact SD-CG 4.44Å; M135-D141 PolarHBondContact O-N 3.03Å; M135-D141 VanDerWaalsContact O-N 3.11Å; M135-S148 WeakPolarHBondContact CE-OG 3.38Å
136	E	95.7	Very high	92.1	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.318	20%	0.196	S	C	.	.	H	α-helix	trans	-74.9	-38.7	-177.1	-68	169.9	172.4	0	0	112.5	Y55 K132 Q133 K139	Y55-E136 PolarHBondContact OH-OE1 3.25Å; K132-E136 VanDerWaalsContact CE-CD 3.42Å; K132-E136 WeakPolarHBondContact CE-OE1 3.37Å; K132-E136 VanDerWaalsContact CE-OE2 3.25Å; K132-E136 WeakPolarHBondContact CE-OE2 3.44Å; K132-E136 HydrophobicContact CG-CG 4.43Å; K132-E136 WeakPolarHBondContact CG-OE1 3.37Å; K132-E136 WeakPolarHBondContact O-CG 2.95Å; K132-E136 PolarHBondContact O-N 3.39Å; Q133-E136 PolarHBondContact O-N 2.81Å; E136-K139 PolarHBondContact O-N 2.96Å; E136-K139 PolarHBondContact O-NZ 2.86Å
137	V	97.2	Very high	91.1	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-49	-179.7	172.9	0	0	0	0	111	Q133 K139 L367 M370 L372	Q133-V137 VanDerWaalsContact O-CB 3.23Å; Q133-V137 WeakPolarHBondContact O-CB 3.39Å; Q133-V137 WeakPolarHBondContact O-CG2 3.45Å; Q133-V137 PolarHBondContact O-N 3.01Å; V137-K139 PolarHBondContact O-N 2.98Å; V137-K139 PolarHBondContact O-NZ 3.41Å; V137-L367 HydrophobicContact CG1-CD2 4Å; V137-M370 HydrophobicContact CG1-CB 4.03Å; V137-M370 HydrophobicContact CG1-CE 4.16Å; V137-M370 WeakPolarHBondContact CG2-O 3.42Å; V137-L372 HydrophobicContact CG1-CB 4.37Å; V137-L372 HydrophobicContact CG2-CB 4.07Å
138	F	96.4	Very high	90.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	7.4	177.9	-68	-82	0	0	0	114.3	F90 V115 F119 L134 F140 L367 L372	F90-F138 HydrophobicContact CD1-CD1 4.08Å; F90-F138 HydrophobicContact CD1-CE1 4.39Å; F90-F138 AromaticContact CD2-CD1 3.65Å; F90-F138 HydrophobicContact CD2-CD1 3.65Å; F90-F138 HydrophobicContact CD2-CE1 4.01Å; F90-F138 HydrophobicContact CD2-CG 4.34Å; F90-F138 HydrophobicContact CE1-CD1 4.01Å; F90-F138 AromaticContact CE1-CE1 3.86Å; F90-F138 HydrophobicContact CE1-CE1 3.86Å; F90-F138 AromaticContact CE2-CD1 3.58Å; F90-F138 HydrophobicContact CE2-CD1 3.58Å; F90-F138 AromaticContact CE2-CE1 3.42Å; F90-F138 HydrophobicContact CE2-CE1 3.42Å; F90-F138 VanDerWaalsContact CE2-CE1 3.42Å; F90-F138 HydrophobicContact CE2-CG 4.46Å; F90-F138 HydrophobicContact CE2-CZ 4.19Å; F90-F138 AromaticContact CG-CD1 3.91Å; F90-F138 HydrophobicContact CG-CD1 3.91Å; F90-F138 HydrophobicContact CG-CE1 4.47Å; F90-F138 AromaticContact CZ-CD1 3.79Å; F90-F138 HydrophobicContact CZ-CD1 3.79Å; F90-F138 AromaticContact CZ-CE1 3.35Å; F90-F138 HydrophobicContact CZ-CE1 3.35Å; F90-F138 HydrophobicContact CZ-CZ 4.28Å; V115-F138 HydrophobicContact CG1-CE1 4.13Å; F119-F138 HydrophobicContact CB-CD2 4.05Å; F119-F138 HydrophobicContact CB-CE1 3.94Å; F119-F138 HydrophobicContact CB-CE2 3.4Å; F119-F138 HydrophobicContact CB-CZ 3.35Å; F119-F138 AromaticContact CD1-CE2 3.79Å; F119-F138 HydrophobicContact CD1-CE2 3.79Å; F119-F138 AromaticContact CD1-CZ 3.82Å; F119-F138 HydrophobicContact CD1-CZ 3.82Å; F119-F138 HydrophobicContact CD2-CE1 4.14Å; F119-F138 HydrophobicContact CD2-CE2 4.27Å; F119-F138 AromaticContact CD2-CZ 3.51Å; F119-F138 HydrophobicContact CD2-CZ 3.51Å; F119-F138 HydrophobicContact CE2-CZ 4.25Å; F119-F138 HydrophobicContact CG-CE1 4.13Å; F119-F138 AromaticContact CG-CE2 3.55Å; F119-F138 HydrophobicContact CG-CE2 3.55Å; F119-F138 AromaticContact CG-CZ 3.26Å; F119-F138 HydrophobicContact CG-CZ 3.26Å; L134-F138 HydrophobicContact CD2-CD2 4.18Å; L134-F138 HydrophobicContact CD2-CE2 3.99Å; L134-F138 WeakPolarHBondContact O-CD2 3.28Å; L134-F138 PolarHBondContact O-N 3.29Å; F138-F140 HydrophobicContact CB-CD1 4Å; F138-F140 HydrophobicContact CB-CD2 3.76Å; F138-F140 HydrophobicContact CB-CE1 3.73Å; F138-F140 HydrophobicContact CB-CE2 3.5Å; F138-F140 VanDerWaalsContact CB-CE2 3.5Å; F138-F140 HydrophobicContact CB-CG 4.01Å; F138-F140 HydrophobicContact CB-CZ 3.48Å; F138-F140 VanDerWaalsContact CB-CZ 3.48Å; F138-F140 HydrophobicContact CD1-CZ 4.48Å; F138-F140 HydrophobicContact CG-CE2 4.1Å; F138-F140 HydrophobicContact CG-CZ 4.11Å; F138-F140 VanDerWaalsContact O-CD1 3.25Å; F138-F140 WeakPolarHBondContact O-CD1 3.25Å; F138-F140 WeakPolarHBondContact O-CE1 3.42Å; F138-F140 PolarHBondContact O-N 2.96Å; F138-F140 VanDerWaalsContact O-N 3.14Å; F138-L367 HydrophobicContact CE1-CD2 4.33Å; F138-L367 HydrophobicContact CE2-CD2 4.35Å; F138-L367 HydrophobicContact CZ-CD1 4.12Å; F138-L367 HydrophobicContact CZ-CD2 3.74Å; F138-L372 HydrophobicContact CE2-CD2 3.89Å
139	K	95.4	Very high	89.5	Confident	52 Å²	52	35.6 Å²	35.6	23%	0.226	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	20.8	177.1	-50.4	-68.1	167.4	-78	0	113.7	A86 R89 F90 M135 E136 V137 D141 T142	A86-K139 WeakPolarHBondContact CB-O 2.93Å; R89-K139 HydrophobicContact CB-CB 4.27Å; R89-K139 HydrophobicContact CB-CG 4.04Å; F90-K139 HydrophobicContact CB-CG 4.41Å; M135-K139 CarbonylContact O-C 3.54Å; M135-K139 PolarHBondContact O-N 2.97Å; E136-K139 PolarHBondContact O-N 2.96Å; E136-K139 PolarHBondContact O-NZ 2.86Å; V137-K139 PolarHBondContact O-N 2.98Å; V137-K139 PolarHBondContact O-NZ 3.41Å; K139-D141 WeakPolarHBondContact CA-OD1 3.43Å; K139-D141 PolarHBondContact O-N 2.81Å; K139-T142 PolarHBondContact O-N 2.9Å; K139-T142 PolarHBondContact O-OG1 3.1Å
140	F	93.6	Very high	88.9	Confident	1 Å²	1	33.7 Å²	33.7	0%	0.004	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-74.4	-14.7	175.9	-57	-26.2	0	0	0	112.4	L83 A120 M135 F138 T142 I143 I151 F155	L83-F140 HydrophobicContact CD1-CD1 4.22Å; L83-F140 HydrophobicContact CD1-CE1 4.2Å; A120-F140 HydrophobicContact CB-CE2 4.48Å; M135-F140 HydrophobicContact CE-CB 3.58Å; M135-F140 WeakPolarHBondContact CE-O 3.4Å; M135-F140 PolarHBondContact O-N 2.92Å; M135-F140 HydrophobicContact SD-CB 3.67Å; M135-F140 HydrophobicContact SD-CD2 4.16Å; M135-F140 HydrophobicContact SD-CG 4.44Å; F138-F140 HydrophobicContact CB-CD1 4Å; F138-F140 HydrophobicContact CB-CD2 3.76Å; F138-F140 HydrophobicContact CB-CE1 3.73Å; F138-F140 HydrophobicContact CB-CE2 3.5Å; F138-F140 VanDerWaalsContact CB-CE2 3.5Å; F138-F140 HydrophobicContact CB-CG 4.01Å; F138-F140 HydrophobicContact CB-CZ 3.48Å; F138-F140 VanDerWaalsContact CB-CZ 3.48Å; F138-F140 HydrophobicContact CD1-CZ 4.48Å; F138-F140 HydrophobicContact CG-CE2 4.1Å; F138-F140 HydrophobicContact CG-CZ 4.11Å; F138-F140 VanDerWaalsContact O-CD1 3.25Å; F138-F140 WeakPolarHBondContact O-CD1 3.25Å; F138-F140 WeakPolarHBondContact O-CE1 3.42Å; F138-F140 PolarHBondContact O-N 2.96Å; F138-F140 VanDerWaalsContact O-N 3.14Å; F140-T142 PolarHBondContact O-N 2.88Å; F140-I143 HydrophobicContact CB-CD1 4.26Å; F140-I143 WeakPolarHBondContact O-CD1 3.26Å; F140-I143 VanDerWaalsContact O-CG1 3.25Å; F140-I143 WeakPolarHBondContact O-CG1 3.33Å; F140-I151 HydrophobicContact CB-CD1 3.8Å; F140-I151 HydrophobicContact CD1-CD1 3.72Å; F140-I151 HydrophobicContact CD2-CD1 3.58Å; F140-I151 HydrophobicContact CE1-CD1 4.15Å; F140-I151 HydrophobicContact CE2-CD1 4.01Å; F140-I151 HydrophobicContact CG-CD1 3.42Å; F140-I151 VanDerWaalsContact CG-CD1 3.42Å; F140-I151 HydrophobicContact CZ-CD1 4.28Å; F140-F155 AromaticContact CE1-CE2 3.8Å; F140-F155 HydrophobicContact CE1-CE2 3.8Å; F140-F155 AromaticContact CE1-CZ 3.64Å; F140-F155 HydrophobicContact CE1-CZ 3.64Å; F140-F155 HydrophobicContact CE2-CE2 4.3Å; F140-F155 AromaticContact CZ-CE2 3.56Å; F140-F155 HydrophobicContact CZ-CE2 3.56Å; F140-F155 AromaticContact CZ-CZ 3.59Å; F140-F155 HydrophobicContact CZ-CZ 3.59Å
141	D	90.2	Very high	88.5	Confident	47 Å²	47	33.6 Å²	33.6	25%	0.251	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-59.3	-30.1	165.1	67.8	-54.5	0	0	0	112.1	Y55 M135 K139 I143	Y55-D141 HydrophobicContact CE1-CB 4.13Å; M135-D141 PolarHBondContact O-N 3.03Å; M135-D141 VanDerWaalsContact O-N 3.11Å; K139-D141 WeakPolarHBondContact CA-OD1 3.43Å; K139-D141 PolarHBondContact O-N 2.81Å; D141-I143 VanDerWaalsContact C-N 3.3Å; D141-I143 PolarHBondContact O-N 2.88Å
142	T	87.1	Confident	88.2	Confident	44 Å²	44	33.4 Å²	33.4	27%	0.27	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-79.6	-1.3	-177	74	0	0	0	0	115.1	R89 K139 F140	R89-T142 PolarHBondContact NH1-OG1 2.83Å; K139-T142 PolarHBondContact O-N 2.9Å; K139-T142 PolarHBondContact O-OG1 3.1Å; F140-T142 PolarHBondContact O-N 2.88Å
143	I	87.7	Confident	87.8	Confident	12 Å²	12	29.9 Å²	29.9	6%	0.062	15%	0.148	C	C	.	.	S	Bend	trans	-97.3	155	178.4	78.7	-158	0	0	0	111.3	E82 L83 A86 F140 D141 T147 I151	E82-I143 HydrophobicContact CB-CB 4.44Å; E82-I143 HydrophobicContact CB-CG2 4.38Å; L83-I143 HydrophobicContact CD1-CD1 4.4Å; A86-I143 HydrophobicContact CB-CG2 3.79Å; F140-I143 HydrophobicContact CB-CD1 4.26Å; F140-I143 WeakPolarHBondContact O-CD1 3.26Å; F140-I143 VanDerWaalsContact O-CG1 3.25Å; F140-I143 WeakPolarHBondContact O-CG1 3.33Å; D141-I143 VanDerWaalsContact C-N 3.3Å; D141-I143 PolarHBondContact O-N 2.88Å; I143-T147 HydrophobicContact CB-CG2 4.27Å; I143-T147 HydrophobicContact CD1-CG2 3.89Å; I143-T147 HydrophobicContact CG1-CG2 4.04Å; I143-I151 HydrophobicContact CD1-CD1 3.63Å; I143-I151 HydrophobicContact CD1-CG1 3.99Å
144	S	82.9	Confident	87.4	Confident	35 Å²	35	28.6 Å²	28.6	25%	0.245	14%	0.141	C	C	.	.			trans	-57.9	143.6	179.6	55	0	0	0	0	112.6	E82 K146 T147 S148	E82-S144 WeakPolarHBondContact OE2-CB 3.16Å; E82-S144 PolarHBondContact OE2-N 3.37Å; E82-S144 PolarHBondContact OE2-OG 3.43Å; S144-K146 PolarHBondContact O-N 2.96Å; S144-K146 VanDerWaalsContact O-N 3.09Å; S144-T147 VanDerWaalsContact O-CA 3.29Å; S144-T147 WeakPolarHBondContact O-CA 3.35Å; S144-T147 WeakPolarHBondContact O-CB 2.98Å; S144-T147 PolarHBondContact O-N 2.71Å; S144-T147 PolarHBondContact OG-OG1 3.36Å; S144-S148 PolarHBondContact O-N 3.14Å; S144-S148 VanDerWaalsContact O-N 3.08Å
145	E	77.2	Confident	87	Confident	105 Å²	105	28.6 Å²	28.6	49%	0.491	14%	0.141	S	C	.	.	H	α-helix	trans	-49.1	-43.8	-174.7	-64.6	-175.9	166.9	0	0	113.5	R56 T147 S148 D149	R56-E145 WeakPolarHBondContact CD-OE1 3.44Å; R56-E145 IonicContact NE-OE1 3.19Å; R56-E145 IonicContact NE-OE2 2.74Å; R56-E145 PolarHBondContact NE-OE2 3.08Å; E145-T147 PolarHBondContact O-N 3.18Å; E145-S148 WeakPolarHBondContact O-CA 3.32Å; E145-S148 WeakPolarHBondContact O-CB 3.3Å; E145-S148 PolarHBondContact O-N 2.73Å; E145-D149 PolarHBondContact O-N 2.9Å
146	K	74.1	Confident	86.6	Confident	125 Å²	125	28.7 Å²	28.7	54%	0.543	14%	0.143	S	C	.	.	H	α-helix	trans	-66.6	-17.8	178.4	-174.1	162.8	-176.1	164.6	0	113.8	S144	S144-K146 PolarHBondContact O-N 2.96Å; S144-K146 VanDerWaalsContact O-N 3.09Å
147	T	72.6	Confident	86.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-85.9	-38.2	170.1	-51	0	0	0	0	110.6	R79 I143 S144 E145 Q150 I151 F154	R79-T147 HydrophobicContact CB-CG2 3.93Å; R79-T147 WeakPolarHBondContact CD-OG1 3.31Å; R79-T147 HydrophobicContact CG-CG2 4.45Å; R79-T147 WeakPolarHBondContact CG-OG1 3.47Å; I143-T147 HydrophobicContact CB-CG2 4.27Å; I143-T147 HydrophobicContact CD1-CG2 3.89Å; I143-T147 HydrophobicContact CG1-CG2 4.04Å; S144-T147 VanDerWaalsContact O-CA 3.29Å; S144-T147 WeakPolarHBondContact O-CA 3.35Å; S144-T147 WeakPolarHBondContact O-CB 2.98Å; S144-T147 PolarHBondContact O-N 2.71Å; S144-T147 PolarHBondContact OG-OG1 3.36Å; E145-T147 PolarHBondContact O-N 3.18Å; T147-Q150 CarbonylContact O-C 3.16Å; T147-Q150 VanDerWaalsContact O-C 3.31Å; T147-Q150 PolarHBondContact O-N 3Å; T147-I151 WeakPolarHBondContact O-CA 3.29Å; T147-I151 WeakPolarHBondContact O-CB 3.45Å; T147-I151 PolarHBondContact O-N 2.99Å; T147-F154 HydrophobicContact CG2-CD2 3.82Å; T147-F154 HydrophobicContact CG2-CE2 4.48Å; T147-F154 HydrophobicContact CG2-CG 4.39Å
148	S	76.2	Confident	85.8	Confident	5 Å²	5	26.9 Å²	26.9	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-45.3	172.9	170.5	0	0	0	0	112.9	K123 M135 S144 E145 Q150 I151	K123-S148 PolarHBondContact NZ-O 2.9Å; M135-S148 WeakPolarHBondContact CE-OG 3.38Å; S144-S148 PolarHBondContact O-N 3.14Å; S144-S148 VanDerWaalsContact O-N 3.08Å; E145-S148 WeakPolarHBondContact O-CA 3.32Å; E145-S148 WeakPolarHBondContact O-CB 3.3Å; E145-S148 PolarHBondContact O-N 2.73Å; S148-Q150 PolarHBondContact O-N 3.03Å; S148-I151 WeakPolarHBondContact O-CG2 3.46Å; S148-I151 PolarHBondContact O-N 2.88Å
149	D	77.5	Confident	85.4	Confident	40 Å²	40	27.9 Å²	27.9	21%	0.214	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.5	177.8	-65.9	-14.9	0	0	0	112.5	I54 R56 E145	I54-D149 VanDerWaalsContact CG2-OD1 3.23Å; I54-D149 WeakPolarHBondContact CG2-OD1 3.45Å; R56-D149 IonicContact CZ-OD1 2.71Å; R56-D149 IonicContact CZ-OD2 3.87Å; R56-D149 IonicContact NH1-OD1 3.04Å; R56-D149 PolarHBondContact NH1-OD1 2.97Å; R56-D149 IonicContact NH1-OD2 3.33Å; R56-D149 VanDerWaalsContact NH2-CG 3.32Å; R56-D149 IonicContact NH2-OD1 3.48Å; R56-D149 PolarHBondContact NH2-OD1 2.84Å; R56-D149 IonicContact NH2-OD2 2.7Å; R56-D149 PolarHBondContact NH2-OD2 2.85Å; E145-D149 PolarHBondContact O-N 2.9Å
150	Q	83.9	Confident	85	Confident	50 Å²	50	26.4 Å²	26.4	23%	0.234	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	24.7	-173	-56.2	-166.4	-43.9	0	0	111.9	P44 T147 S148 H152 F153 F154	P44-Q150 VanDerWaalsContact CB-CD 3.5Å; T147-Q150 CarbonylContact O-C 3.16Å; T147-Q150 VanDerWaalsContact O-C 3.31Å; T147-Q150 PolarHBondContact O-N 3Å; S148-Q150 PolarHBondContact O-N 3.03Å; Q150-H152 VanDerWaalsContact C-N 3.25Å; Q150-H152 PolarHBondContact O-N 2.87Å; Q150-F153 WeakPolarHBondContact O-CB 3.48Å; Q150-F153 PolarHBondContact O-N 2.87Å; Q150-F153 VanDerWaalsContact O-N 3.1Å; Q150-F154 HydrophobicContact CB-CD2 4.09Å; Q150-F154 HydrophobicContact CB-CE2 3.7Å; Q150-F154 VanDerWaalsContact O-CD2 3.24Å; Q150-F154 WeakPolarHBondContact O-CD2 3.43Å; Q150-F154 PolarHBondContact O-N 3.01Å; Q150-F154 VanDerWaalsContact O-N 3.11Å
151	I	88.5	Confident	84.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-35.7	-169.1	-164.3	178.3	0	0	0	112	L83 K123 F140 I143 T147 S148 F154 F155	L83-I151 HydrophobicContact CD1-CD1 3.97Å; L83-I151 HydrophobicContact CD1-CG1 3.88Å; K123-I151 HydrophobicContact CD-CG2 3.84Å; F140-I151 HydrophobicContact CB-CD1 3.8Å; F140-I151 HydrophobicContact CD1-CD1 3.72Å; F140-I151 HydrophobicContact CD2-CD1 3.58Å; F140-I151 HydrophobicContact CE1-CD1 4.15Å; F140-I151 HydrophobicContact CE2-CD1 4.01Å; F140-I151 HydrophobicContact CG-CD1 3.42Å; F140-I151 VanDerWaalsContact CG-CD1 3.42Å; F140-I151 HydrophobicContact CZ-CD1 4.28Å; I143-I151 HydrophobicContact CD1-CD1 3.63Å; I143-I151 HydrophobicContact CD1-CG1 3.99Å; T147-I151 WeakPolarHBondContact O-CA 3.29Å; T147-I151 WeakPolarHBondContact O-CB 3.45Å; T147-I151 PolarHBondContact O-N 2.99Å; S148-I151 WeakPolarHBondContact O-CG2 3.46Å; S148-I151 PolarHBondContact O-N 2.88Å; I151-F154 CarbonylContact O-C 3.31Å; I151-F154 PolarHBondContact O-N 2.9Å; I151-F154 VanDerWaalsContact O-N 3.15Å; I151-F155 HydrophobicContact CD1-CE2 4Å; I151-F155 HydrophobicContact CG1-CD2 3.95Å; I151-F155 HydrophobicContact CG1-CE2 3.92Å; I151-F155 WeakPolarHBondContact O-CD2 3.42Å; I151-F155 PolarHBondContact O-N 2.85Å
152	H	88.7	Confident	84.4	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-57.5	-50.7	175.3	-47.9	-68.5	0	0	0	111	A120 K123 L124 Q150 F154 F155 A156 V197 Y198	A120-H152 PolarHBondContact O-CE1 2.88Å; A120-H152 PolarHBondContact O-ND1 2.93Å; K123-H152 WeakPolarHBondContact CD-CE1 3.14Å; K123-H152 WeakPolarHBondContact CD-NE2 3.39Å; K123-H152 PolarHBondContact NZ-NE2 3.47Å; L124-H152 VanDerWaalsContact CA-CE1 3.45Å; L124-H152 WeakPolarHBondContact CA-CE1 3.36Å; L124-H152 PolarHBondContact N-CE1 3.36Å; Q150-H152 VanDerWaalsContact C-N 3.25Å; Q150-H152 PolarHBondContact O-N 2.87Å; H152-F154 VanDerWaalsContact C-N 3.33Å; H152-F154 PolarHBondContact O-N 2.94Å; H152-F155 PolarHBondContact O-N 2.88Å; H152-A156 PolarHBondContact O-N 2.98Å; H152-V197 HydrophobicContact CB-CG1 4.06Å; H152-V197 HydrophobicContact CB-CG2 4.4Å; H152-V197 WeakPolarHBondContact O-CG1 3.48Å; H152-Y198 PolarHBondContact ND1-OH 2.98Å
153	F	88.4	Confident	84.2	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.035	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-40.3	174.3	176.5	-82.2	0	0	0	112.2	I39 A42 K43 P44 M49 Q150 A156 K157	I39-F153 HydrophobicContact CD1-CD2 4.13Å; I39-F153 HydrophobicContact CD1-CE2 4.45Å; A42-F153 VanDerWaalsContact O-CZ 3.29Å; A42-F153 WeakPolarHBondContact O-CZ 3.21Å; K43-F153 VanDerWaalsContact C-CE2 3.43Å; P44-F153 HydrophobicContact CB-CD1 4.43Å; P44-F153 HydrophobicContact CB-CE1 4.47Å; P44-F153 HydrophobicContact CB-CG 4.46Å; P44-F153 HydrophobicContact CB-CZ 4.49Å; P44-F153 VanDerWaalsContact CD-CZ 3.43Å; P44-F153 HydrophobicContact CG-CD1 3.8Å; P44-F153 HydrophobicContact CG-CD2 4.46Å; P44-F153 HydrophobicContact CG-CE1 3.51Å; P44-F153 HydrophobicContact CG-CE2 4.2Å; P44-F153 HydrophobicContact CG-CG 4.28Å; P44-F153 HydrophobicContact CG-CZ 3.71Å; M49-F153 HydrophobicContact SD-CB 4.02Å; Q150-F153 WeakPolarHBondContact O-CB 3.48Å; Q150-F153 PolarHBondContact O-N 2.87Å; Q150-F153 VanDerWaalsContact O-N 3.1Å; F153-A156 PolarHBondContact O-N 2.65Å; F153-K157 HydrophobicContact CD1-CG 4.07Å; F153-K157 HydrophobicContact CE1-CD 4.29Å; F153-K157 HydrophobicContact CE1-CG 3.6Å; F153-K157 HydrophobicContact CZ-CD 4.23Å; F153-K157 HydrophobicContact CZ-CG 4.04Å; F153-K157 WeakPolarHBondContact O-CG 3.39Å; F153-K157 PolarHBondContact O-N 2.94Å
154	F	88.7	Confident	84.1	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-73.6	-30.7	179.1	-66.8	-58	0	0	0	113.5	P44 R79 V80 L83 T147 Q150 I151 H152 K157 L158	P44-F154 HydrophobicContact CG-CZ 4.26Å; R79-F154 HydrophobicContact CB-CD1 3.99Å; R79-F154 HydrophobicContact CB-CD2 4.19Å; R79-F154 HydrophobicContact CB-CE1 4.03Å; R79-F154 HydrophobicContact CB-CE2 4.2Å; R79-F154 HydrophobicContact CB-CG 4.12Å; R79-F154 HydrophobicContact CB-CZ 4.17Å; R79-F154 HydrophobicContact CG-CE2 4.43Å; R79-F154 HydrophobicContact CG-CZ 4.35Å; V80-F154 HydrophobicContact CG2-CD1 4.15Å; L83-F154 HydrophobicContact CD2-CB 4.05Å; T147-F154 HydrophobicContact CG2-CD2 3.82Å; T147-F154 HydrophobicContact CG2-CE2 4.48Å; T147-F154 HydrophobicContact CG2-CG 4.39Å; Q150-F154 HydrophobicContact CB-CD2 4.09Å; Q150-F154 HydrophobicContact CB-CE2 3.7Å; Q150-F154 VanDerWaalsContact O-CD2 3.24Å; Q150-F154 WeakPolarHBondContact O-CD2 3.43Å; Q150-F154 PolarHBondContact O-N 3.01Å; Q150-F154 VanDerWaalsContact O-N 3.11Å; I151-F154 CarbonylContact O-C 3.31Å; I151-F154 PolarHBondContact O-N 2.9Å; I151-F154 VanDerWaalsContact O-N 3.15Å; H152-F154 VanDerWaalsContact C-N 3.33Å; H152-F154 PolarHBondContact O-N 2.94Å; F154-K157 PolarHBondContact O-N 2.87Å; F154-L158 WeakPolarHBondContact O-CB 3.43Å; F154-L158 PolarHBondContact O-N 3.42Å
155	F	89.1	Confident	84.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-45.8	165.5	-93.6	-66.8	0	0	0	111.6	L83 L113 T117 A120 F140 I151 H152 K157 L158 N159 Y198	L83-F155 HydrophobicContact CD1-CD2 4.38Å; L83-F155 HydrophobicContact CD1-CE2 3.76Å; L83-F155 HydrophobicContact CD1-CZ 3.86Å; L83-F155 HydrophobicContact CD2-CB 4.46Å; L83-F155 HydrophobicContact CD2-CD1 4.07Å; L83-F155 HydrophobicContact CD2-CD2 3.87Å; L83-F155 HydrophobicContact CD2-CE1 4.21Å; L83-F155 HydrophobicContact CD2-CE2 4.02Å; L83-F155 HydrophobicContact CD2-CG 3.88Å; L83-F155 HydrophobicContact CD2-CZ 4.18Å; L83-F155 HydrophobicContact CG-CE1 4.41Å; L83-F155 HydrophobicContact CG-CE2 4.3Å; L83-F155 HydrophobicContact CG-CZ 4.18Å; L113-F155 HydrophobicContact CD1-CE1 4.41Å; T117-F155 WeakPolarHBondContact OG1-CD1 3.46Å; A120-F155 HydrophobicContact CB-CD2 3.47Å; A120-F155 VanDerWaalsContact CB-CD2 3.47Å; A120-F155 HydrophobicContact CB-CE2 3.49Å; A120-F155 VanDerWaalsContact CB-CE2 3.49Å; A120-F155 HydrophobicContact CB-CG 4.28Å; A120-F155 HydrophobicContact CB-CZ 4.32Å; F140-F155 AromaticContact CE1-CE2 3.8Å; F140-F155 HydrophobicContact CE1-CE2 3.8Å; F140-F155 AromaticContact CE1-CZ 3.64Å; F140-F155 HydrophobicContact CE1-CZ 3.64Å; F140-F155 HydrophobicContact CE2-CE2 4.3Å; F140-F155 AromaticContact CZ-CE2 3.56Å; F140-F155 HydrophobicContact CZ-CE2 3.56Å; F140-F155 AromaticContact CZ-CZ 3.59Å; F140-F155 HydrophobicContact CZ-CZ 3.59Å; I151-F155 HydrophobicContact CD1-CE2 4Å; I151-F155 HydrophobicContact CG1-CD2 3.95Å; I151-F155 HydrophobicContact CG1-CE2 3.92Å; I151-F155 WeakPolarHBondContact O-CD2 3.42Å; I151-F155 PolarHBondContact O-N 2.85Å; H152-F155 PolarHBondContact O-N 2.88Å; F155-K157 VanDerWaalsContact C-N 3.32Å; F155-K157 PolarHBondContact O-N 3.31Å; F155-L158 PolarHBondContact O-N 3.3Å; F155-N159 VanDerWaalsContact O-CB 3.32Å; F155-N159 WeakPolarHBondContact O-CB 3.36Å; F155-N159 PolarHBondContact O-N 2.77Å; F155-N159 PolarHBondContact O-ND2 3.04Å; F155-Y198 HydrophobicContact CB-CE1 4.46Å
156	A	88.3	Confident	84.1	Confident	3 Å²	3	29.6 Å²	29.6	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-42.8	174.8	0	0	0	0	0	111.9	I39 H152 F153 N159 C160 V197	I39-A156 HydrophobicContact CD1-CB 4.17Å; I39-A156 HydrophobicContact CG1-CB 3.51Å; H152-A156 PolarHBondContact O-N 2.98Å; F153-A156 PolarHBondContact O-N 2.65Å; A156-N159 PolarHBondContact O-N 2.82Å; A156-C160 WeakPolarHBondContact O-CB 3.43Å; A156-C160 PolarHBondContact O-N 3.19Å; A156-C160 PolarHBondContact O-SG 2.64Å; A156-V197 HydrophobicContact CB-CG1 4.01Å
157	K	88.8	Confident	84.4	Confident	35 Å²	35	28.5 Å²	28.5	15%	0.152	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-40	175.3	-68	-51.2	-171.3	-173.9	0	113.7	I39 C40 A42 V80 F153 F154 F155 R161	I39-K157 WeakPolarHBondContact O-CE 3.43Å; I39-K157 PolarHBondContact O-NZ 3.11Å; C40-K157 PolarHBondContact O-NZ 3.04Å; A42-K157 WeakPolarHBondContact O-CE 3.37Å; A42-K157 PolarHBondContact O-NZ 3.32Å; V80-K157 HydrophobicContact CG2-CB 4.08Å; F153-K157 HydrophobicContact CD1-CG 4.07Å; F153-K157 HydrophobicContact CE1-CD 4.29Å; F153-K157 HydrophobicContact CE1-CG 3.6Å; F153-K157 HydrophobicContact CZ-CD 4.23Å; F153-K157 HydrophobicContact CZ-CG 4.04Å; F153-K157 WeakPolarHBondContact O-CG 3.39Å; F153-K157 PolarHBondContact O-N 2.94Å; F154-K157 PolarHBondContact O-N 2.87Å; F155-K157 VanDerWaalsContact C-N 3.32Å; F155-K157 PolarHBondContact O-N 3.31Å; K157-R161 WeakPolarHBondContact O-CB 3.49Å; K157-R161 PolarHBondContact O-N 2.79Å
158	L	86.8	Confident	84.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-52.9	174.7	-179.1	54.6	0	0	0	110	V80 L83 L113 F154 F155 R161 L162 L449	V80-L158 HydrophobicContact CG1-CB 4.02Å; V80-L158 HydrophobicContact CG1-CD1 3.75Å; V80-L158 HydrophobicContact CG1-CG 4.43Å; L83-L158 HydrophobicContact CD2-CD2 4.31Å; L83-L158 HydrophobicContact CG-CD2 4.41Å; L113-L158 HydrophobicContact CD1-CD2 3.64Å; L113-L158 HydrophobicContact CD1-CG 4.25Å; F154-L158 WeakPolarHBondContact O-CB 3.43Å; F154-L158 PolarHBondContact O-N 3.42Å; F155-L158 PolarHBondContact O-N 3.3Å; L158-R161 WeakPolarHBondContact O-CB 3.48Å; L158-R161 PolarHBondContact O-N 3.35Å; L158-L162 HydrophobicContact CD1-CD1 3.68Å; L158-L162 HydrophobicContact CD1-CG 4.16Å; L158-L162 HydrophobicContact CG-CD1 3.88Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.24Å; L158-L162 PolarHBondContact O-N 2.66Å; L158-L449 HydrophobicContact CD1-CD1 3.56Å
159	N	87.3	Confident	84.7	Confident	20 Å²	20	35.9 Å²	35.9	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-46.6	-179.8	-71.8	-26.9	0	0	0	112.2	T117 F155 A156 R161 L162 Y163	T117-N159 WeakPolarHBondContact CG2-ND2 3.29Å; T117-N159 PolarHBondContact OG1-ND2 3.04Å; T117-N159 VanDerWaalsContact OG1-ND2 3.13Å; F155-N159 VanDerWaalsContact O-CB 3.32Å; F155-N159 WeakPolarHBondContact O-CB 3.36Å; F155-N159 PolarHBondContact O-N 2.77Å; F155-N159 PolarHBondContact O-ND2 3.04Å; A156-N159 PolarHBondContact O-N 2.82Å; N159-R161 VanDerWaalsContact C-N 3.3Å; N159-R161 PolarHBondContact O-N 3.2Å; N159-L162 PolarHBondContact O-N 2.81Å; N159-L162 VanDerWaalsContact O-N 3.14Å; N159-Y163 HydrophobicContact CB-CD2 4.09Å; N159-Y163 HydrophobicContact CB-CE2 3.91Å; N159-Y163 WeakPolarHBondContact O-CB 3.27Å; N159-Y163 WeakPolarHBondContact O-CD2 3.36Å; N159-Y163 PolarHBondContact O-N 3.24Å
160	C	88.2	Confident	85	Confident	21 Å²	21	34.6 Å²	34.6	14%	0.142	16%	0.155	C	C	.	.	H	α-helix	trans	-54.9	-42	172.4	-77.9	0	0	0	0	112.8	C40 A156 R164	C40-C160 WeakPolarHBondContact CA-SG 3.44Å; C40-C160 HydrophobicContact CB-CB 3.63Å; C40-C160 WeakPolarHBondContact CB-SG 3.39Å; C40-C160 WeakPolarHBondContact SG-CB 3.41Å; C40-C160 CovalentContact SG-SG 2.04Å; C40-C160 PolarHBondContact SG-SG 2.7Å; A156-C160 WeakPolarHBondContact O-CB 3.43Å; A156-C160 PolarHBondContact O-N 3.19Å; A156-C160 PolarHBondContact O-SG 2.64Å; C160-R164 WeakPolarHBondContact O-CB 3.27Å; C160-R164 PolarHBondContact O-N 2.91Å
161	R	87.8	Confident	84.9	Confident	40 Å²	40	35.8 Å²	35.8	15%	0.151	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-46.1	176	171.1	172.5	167.8	147.9	-8.9	111.2	T76 K157 L158 N159 K165 E446	T76-R161 PolarHBondContact OG1-NH1 3.21Å; K157-R161 WeakPolarHBondContact O-CB 3.49Å; K157-R161 PolarHBondContact O-N 2.79Å; L158-R161 WeakPolarHBondContact O-CB 3.48Å; L158-R161 PolarHBondContact O-N 3.35Å; N159-R161 VanDerWaalsContact C-N 3.3Å; N159-R161 PolarHBondContact O-N 3.2Å; R161-K165 HydrophobicContact CG-CD 4.39Å; R161-K165 WeakPolarHBondContact O-CG 3.36Å; R161-K165 PolarHBondContact O-N 3.06Å; R161-E446 IonicContact CZ-OE1 3.41Å; R161-E446 VanDerWaalsContact CZ-OE1 3.25Å; R161-E446 IonicContact CZ-OE2 3.97Å; R161-E446 IonicContact NE-OE1 3.67Å; R161-E446 PolarHBondContact NE-OE1 3.06Å; R161-E446 IonicContact NE-OE2 2.65Å; R161-E446 IonicContact NH2-OE1 2.94Å; R161-E446 PolarHBondContact NH2-OE1 3.32Å; R161-E446 IonicContact NH2-OE2 3.7Å; R161-E446 PolarHBondContact NH2-OE2 3.41Å; R161-E446 VanDerWaalsContact NH2-OE2 3.09Å
162	L	82.8	Confident	84.7	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-71.4	-49.3	-175.1	-66.8	173.6	0	0	0	112.1	L113 L158 N159 R164 K165 A166 E446 T451 I453	L113-L162 HydrophobicContact CD2-CD1 3.28Å; L158-L162 HydrophobicContact CD1-CD1 3.68Å; L158-L162 HydrophobicContact CD1-CG 4.16Å; L158-L162 HydrophobicContact CG-CD1 3.88Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.24Å; L158-L162 PolarHBondContact O-N 2.66Å; N159-L162 PolarHBondContact O-N 2.81Å; N159-L162 VanDerWaalsContact O-N 3.14Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 2.89Å; L162-K165 PolarHBondContact O-N 3.17Å; L162-A166 VanDerWaalsContact O-CB 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.5Å; L162-A166 PolarHBondContact O-N 3.36Å; L162-E446 HydrophobicContact CD2-CB 3.42Å; L162-E446 VanDerWaalsContact CD2-CB 3.42Å; L162-E446 HydrophobicContact CD2-CG 3.59Å; L162-T451 HydrophobicContact CD1-CG2 4.26Å; L162-I453 HydrophobicContact CD2-CD1 4.31Å
163	Y	82.8	Confident	84.4	Confident	69 Å²	69	37.6 Å²	37.6	27%	0.271	17%	0.17	S	C	.	.	H	α-helix	trans	-57.9	-39.7	174.1	-71.6	-61.8	0	0	0	112.1	N159 K165 N167 L172 S174	N159-Y163 HydrophobicContact CB-CD2 4.09Å; N159-Y163 HydrophobicContact CB-CE2 3.91Å; N159-Y163 WeakPolarHBondContact O-CB 3.27Å; N159-Y163 WeakPolarHBondContact O-CD2 3.36Å; N159-Y163 PolarHBondContact O-N 3.24Å; Y163-K165 VanDerWaalsContact C-N 3.28Å; Y163-K165 PolarHBondContact O-N 2.92Å; Y163-N167 VanDerWaalsContact O-CB 3.26Å; Y163-N167 WeakPolarHBondContact O-CB 3.44Å; Y163-N167 PolarHBondContact O-N 3.09Å; Y163-N167 PolarHBondContact O-OD1 2.85Å; Y163-L172 HydrophobicContact CD1-CD2 3.59Å; Y163-L172 HydrophobicContact CD1-CG 3.88Å; Y163-L172 HydrophobicContact CE1-CD2 3.68Å; Y163-L172 HydrophobicContact CE1-CG 3.76Å; Y163-S174 VanDerWaalsContact OH-CB 3.23Å; Y163-S174 WeakPolarHBondContact OH-CB 3.35Å
164	R	85.2	Confident	84.1	Confident	170 Å²	170	38.6 Å²	38.6	64%	0.642	18%	0.178	S	C	*	.	H	α-helix	trans	-66.8	-25.5	177.1	-171.4	-172.1	69.5	166.1	2.2	113.7	C160 L162	C160-R164 WeakPolarHBondContact O-CB 3.27Å; C160-R164 PolarHBondContact O-N 2.91Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 2.89Å
165	K	82.5	Confident	83.9	Confident	27 Å²	27	38.7 Å²	38.7	12%	0.117	18%	0.18	C	C	.	.	H	α-helix	trans	-85.6	-50.5	174	-74.3	179.5	164.2	-158.9	0	110.9	R161 L162 Y163 N167 K168 S169 D310 I311 E446	R161-K165 HydrophobicContact CG-CD 4.39Å; R161-K165 WeakPolarHBondContact O-CG 3.36Å; R161-K165 PolarHBondContact O-N 3.06Å; L162-K165 PolarHBondContact O-N 3.17Å; Y163-K165 VanDerWaalsContact C-N 3.28Å; Y163-K165 PolarHBondContact O-N 2.92Å; K165-N167 PolarHBondContact O-N 3.04Å; K165-K168 WeakPolarHBondContact O-CB 3.23Å; K165-K168 PolarHBondContact O-N 2.65Å; K165-K168 VanDerWaalsContact O-N 3.07Å; K165-S169 PolarHBondContact O-N 2.74Å; K165-S169 PolarHBondContact O-OG 2.79Å; K165-D310 HydrophobicContact CB-CB 4.37Å; K165-D310 HydrophobicContact CD-CB 3.93Å; K165-D310 VanDerWaalsContact CD-OD2 3.24Å; K165-D310 WeakPolarHBondContact CD-OD2 3.25Å; K165-D310 VanDerWaalsContact CE-OD1 3.31Å; K165-D310 WeakPolarHBondContact CE-OD1 3.4Å; K165-D310 WeakPolarHBondContact CE-OD2 3.2Å; K165-D310 HydrophobicContact CG-CB 4.35Å; K165-D310 WeakPolarHBondContact CG-OD2 3.45Å; K165-D310 IonicContact NZ-OD1 2.92Å; K165-D310 PolarHBondContact NZ-OD1 2.85Å; K165-D310 IonicContact NZ-OD2 3.09Å; K165-D310 PolarHBondContact NZ-OD2 2.53Å; K165-I311 HydrophobicContact CB-CD1 4.43Å; K165-E446 HydrophobicContact CD-CG 4.07Å; K165-E446 WeakPolarHBondContact CD-OE1 3.35Å; K165-E446 VanDerWaalsContact CE-OE1 3.27Å; K165-E446 WeakPolarHBondContact CE-OE1 3.48Å; K165-E446 IonicContact NZ-OE1 3.91Å; K165-E446 PolarHBondContact NZ-OE1 3.37Å; K165-E446 IonicContact NZ-OE2 3.93Å
166	A	78.5	Confident	83.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-53.5	-48.7	176.9	0	0	0	0	0	112	L162 K168 S169 S170 L172 I311	L162-A166 VanDerWaalsContact O-CB 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.5Å; L162-A166 PolarHBondContact O-N 3.36Å; A166-K168 PolarHBondContact O-N 2.74Å; A166-S169 CarbonylContact O-C 3.48Å; A166-S169 PolarHBondContact O-N 3.26Å; A166-S169 PolarHBondContact O-OG 3.22Å; A166-S170 CarbonylContact O-C 3.59Å; A166-S170 PolarHBondContact O-N 3.49Å; A166-S170 PolarHBondContact O-OG 3.09Å; A166-S170 VanDerWaalsContact O-OG 3.12Å; A166-L172 HydrophobicContact CB-CB 3.79Å; A166-L172 HydrophobicContact CB-CD2 3.45Å; A166-L172 VanDerWaalsContact CB-CD2 3.45Å; A166-L172 HydrophobicContact CB-CG 4.26Å; A166-I311 HydrophobicContact CB-CD1 3.8Å
167	N	80.2	Confident	83.9	Confident	103 Å²	103	41.1 Å²	41.1	55%	0.551	19%	0.19	S	C	*	.	H	α-helix	trans	-66.5	0.1	-178.5	-64.1	-3.4	0	0	0	114.6	Y163 K165	Y163-N167 VanDerWaalsContact O-CB 3.26Å; Y163-N167 WeakPolarHBondContact O-CB 3.44Å; Y163-N167 PolarHBondContact O-N 3.09Å; Y163-N167 PolarHBondContact O-OD1 2.85Å; K165-N167 PolarHBondContact O-N 3.04Å
168	K	79.8	Confident	84.1	Confident	155 Å²	155	39.5 Å²	39.5	67%	0.674	18%	0.183	S	C	*	.	H	α-helix	trans	-101	-24.2	167.5	-59.4	-178.9	-179.9	-173.6	0	113.5	K165 A166	K165-K168 WeakPolarHBondContact O-CB 3.23Å; K165-K168 PolarHBondContact O-N 2.65Å; K165-K168 VanDerWaalsContact O-N 3.07Å; A166-K168 PolarHBondContact O-N 2.74Å
169	S	75.4	Confident	84.6	Confident	4 Å²	4	39.7 Å²	39.7	3%	0.028	18%	0.184	C	C	.	.	H	α-helix	trans	-112.9	-18.4	-171.4	67.1	0	0	0	0	114	K165 A166 L256 K307	K165-S169 PolarHBondContact O-N 2.74Å; K165-S169 PolarHBondContact O-OG 2.79Å; A166-S169 CarbonylContact O-C 3.48Å; A166-S169 PolarHBondContact O-N 3.26Å; A166-S169 PolarHBondContact O-OG 3.22Å; S169-L256 WeakPolarHBondContact O-CB 3.32Å; S169-L256 PolarHBondContact O-N 2.58Å; S169-K307 WeakPolarHBondContact CA-O 3.3Å; S169-K307 WeakPolarHBondContact CB-O 3.41Å
170	S	82.6	Confident	85	Confident	13 Å²	13	38.8 Å²	38.8	9%	0.091	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	168.8	-171.4	71.8	0	0	0	0	111.2	A166 F253 K254	A166-S170 CarbonylContact O-C 3.59Å; A166-S170 PolarHBondContact O-N 3.49Å; A166-S170 PolarHBondContact O-OG 3.09Å; A166-S170 VanDerWaalsContact O-OG 3.12Å; S170-F253 VanDerWaalsContact CB-CE2 3.48Å; S170-F253 VanDerWaalsContact OG-CE2 3.29Å; S170-F253 WeakPolarHBondContact OG-CE2 3.5Å; S170-K254 CarbonylContact C-O 3.5Å; S170-K254 WeakPolarHBondContact CA-O 3.12Å; S170-K254 WeakPolarHBondContact CB-O 3.13Å
171	K	82.8	Confident	85.3	Confident	75 Å²	75	37.8 Å²	37.8	33%	0.326	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	109	155.1	-176.5	158.7	-170.5	157.5	0	108.2	V173 E227 Y252 K254	K171-V173 HydrophobicContact CG-CG2 3.99Å; K171-E227 WeakPolarHBondContact CE-OE1 3.49Å; K171-E227 IonicContact NZ-OE1 2.71Å; K171-E227 PolarHBondContact NZ-OE1 3.41Å; K171-E227 IonicContact NZ-OE2 3.95Å; K171-E227 PolarHBondContact NZ-OE2 3.26Å; K171-Y252 HydrophobicContact CB-CE1 4.3Å; K171-Y252 HydrophobicContact CD-CE1 4.48Å; K171-Y252 HydrophobicContact CG-CD1 4.48Å; K171-Y252 HydrophobicContact CG-CE1 4.09Å; K171-K254 PolarHBondContact N-O 3.38Å; K171-K254 PolarHBondContact O-N 2.78Å
172	L	83.6	Confident	85.6	Confident	15 Å²	15	41.3 Å²	41.3	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.8	173.3	176.3	58.1	0	0	0	108.8	Y163 A166 I251 Y252 F253 F454	Y163-L172 HydrophobicContact CD1-CD2 3.59Å; Y163-L172 HydrophobicContact CD1-CG 3.88Å; Y163-L172 HydrophobicContact CE1-CD2 3.68Å; Y163-L172 HydrophobicContact CE1-CG 3.76Å; A166-L172 HydrophobicContact CB-CB 3.79Å; A166-L172 HydrophobicContact CB-CD2 3.45Å; A166-L172 VanDerWaalsContact CB-CD2 3.45Å; A166-L172 HydrophobicContact CB-CG 4.26Å; L172-I251 HydrophobicContact CD1-CD1 4.01Å; L172-I251 HydrophobicContact CD1-CG1 3.86Å; L172-Y252 WeakPolarHBondContact CA-O 3.49Å; L172-Y252 WeakPolarHBondContact CD1-O 3.46Å; L172-F253 HydrophobicContact CD1-CB 4.45Å; L172-F253 HydrophobicContact CD1-CD2 4.32Å; L172-F454 HydrophobicContact CD1-CE2 4.18Å; L172-F454 HydrophobicContact CD1-CZ 3.77Å
173	V	82.6	Confident	86	Confident	24 Å²	24	43.1 Å²	43.1	15%	0.145	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.2	179	-172.5	0	0	0	0	108.5	K171 K225 I251 Y252	K171-V173 HydrophobicContact CG-CG2 3.99Å; V173-K225 VanDerWaalsContact CG1-O 3.3Å; V173-K225 WeakPolarHBondContact CG1-O 3.3Å; V173-I251 CarbonylContact O-C 3.53Å; V173-I251 WeakPolarHBondContact O-CA 3.38Å; V173-Y252 PolarHBondContact N-O 3.33Å; V173-Y252 PolarHBondContact O-N 2.87Å
174	S	83.4	Confident	86.3	Confident	30 Å²	30	40.2 Å²	40.2	21%	0.21	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.7	177.6	179.3	0	0	0	0	111.1	Y163 N176 T250	Y163-S174 VanDerWaalsContact OH-CB 3.23Å; Y163-S174 WeakPolarHBondContact OH-CB 3.35Å; S174-N176 PolarHBondContact OG-ND2 3.34Å; S174-N176 PolarHBondContact OG-OD1 3.13Å; S174-T250 CarbonylContact C-O 3.5Å; S174-T250 WeakPolarHBondContact CA-O 3.46Å; S174-T250 WeakPolarHBondContact CB-O 3.17Å; S174-T250 PolarHBondContact OG-O 3.47Å
175	A	82.8	Confident	86.6	Confident	4 Å²	4	35.1 Å²	35.1	3%	0.033	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	101.5	172.3	0	0	0	0	0	108.9	W221 K225 T250	A175-W221 HydrophobicContact CB-CE3 4.42Å; A175-W221 HydrophobicContact CB-CH2 3.71Å; A175-W221 HydrophobicContact CB-CZ3 3.58Å; A175-K225 HydrophobicContact CB-CB 3.52Å; A175-K225 HydrophobicContact CB-CG 4.21Å; A175-T250 WeakPolarHBondContact CB-OG1 3.19Å; A175-T250 PolarHBondContact N-O 3.19Å; A175-T250 PolarHBondContact O-N 2.81Å; A175-T250 PolarHBondContact O-OG1 2.94Å
176	N	86.1	Confident	87.1	Confident	22 Å²	22	34.7 Å²	34.7	12%	0.118	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.5	179.6	-67.3	-17.3	0	0	0	108.9	S114 M121 S174 V248 N249 T250	S114-N176 PolarHBondContact OG-ND2 2.68Å; S114-N176 PolarHBondContact OG-OD1 2.7Å; M121-N176 HydrophobicContact CE-CB 4.16Å; S174-N176 PolarHBondContact OG-ND2 3.34Å; S174-N176 PolarHBondContact OG-OD1 3.13Å; N176-V248 WeakPolarHBondContact CA-O 3.3Å; N176-N249 VanDerWaalsContact OD1-CA 3.32Å; N176-N249 WeakPolarHBondContact OD1-CA 3.26Å; N176-N249 VanDerWaalsContact OD1-CG 3.3Å; N176-N249 PolarHBondContact OD1-OD1 3.18Å; N176-T250 PolarHBondContact OD1-N 3.01Å
177	R	92.2	Very high	87.8	Confident	31 Å²	31	36.7 Å²	36.7	12%	0.117	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	152.3	-178.8	-163.6	164.9	-164.5	-149.4	-5	112.4	F179 A200 K201 Q203 W221 V248	R177-F179 HydrophobicContact CB-CD2 4.46Å; R177-F179 HydrophobicContact CB-CE2 3.78Å; R177-F179 HydrophobicContact CB-CZ 4.14Å; R177-F179 HydrophobicContact CG-CE2 4.13Å; R177-F179 HydrophobicContact CG-CZ 4.19Å; R177-A200 HydrophobicContact CB-CB 4.49Å; R177-A200 HydrophobicContact CG-CB 4.01Å; R177-K201 VanDerWaalsContact CZ-O 3.27Å; R177-K201 PolarHBondContact NE-O 3.3Å; R177-K201 PolarHBondContact NH2-O 3.15Å; R177-Q203 VanDerWaalsContact CZ-OE1 3.25Å; R177-W221 HydrophobicContact CB-CH2 3.53Å; R177-W221 HydrophobicContact CB-CZ2 4.05Å; R177-W221 HydrophobicContact CB-CZ3 3.86Å; R177-W221 VanDerWaalsContact CD-CZ2 3.48Å; R177-W221 HydrophobicContact CG-CH2 4.34Å; R177-W221 HydrophobicContact CG-CZ2 4.37Å; R177-V248 PolarHBondContact N-O 3.46Å; R177-V248 PolarHBondContact O-N 3.49Å
178	L	93.8	Very high	88.3	Confident	2 Å²	2	37 Å²	37	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	140	167	-70.6	84.8	0	0	0	109.9	M121 T122 Y190 L202 Q203 L245 V246 L247	M121-L178 HydrophobicContact CB-CD1 3.7Å; M121-L178 HydrophobicContact CE-CD1 3.57Å; M121-L178 HydrophobicContact CG-CD1 4.42Å; M121-L178 HydrophobicContact SD-CD1 3.96Å; T122-L178 HydrophobicContact CG2-CD2 3.96Å; L178-Y190 WeakPolarHBondContact CD2-OH 3.47Å; L178-L202 HydrophobicContact CB-CB 4.14Å; L178-L202 HydrophobicContact CB-CD1 3.85Å; L178-L202 HydrophobicContact CB-CG 3.76Å; L178-L202 HydrophobicContact CD2-CD1 4.26Å; L178-L202 WeakPolarHBondContact O-CA 3.46Å; L178-Q203 PolarHBondContact O-N 2.92Å; L178-L245 HydrophobicContact CB-CD1 4.26Å; L178-L245 HydrophobicContact CD2-CD1 4.15Å; L178-L245 HydrophobicContact CD2-CD2 4.31Å; L178-V246 WeakPolarHBondContact CA-O 2.97Å; L178-L247 HydrophobicContact CD1-CD1 3.8Å; L178-L247 HydrophobicContact CG-CD1 3.78Å
179	F	96.1	Very high	88.8	Confident	4 Å²	4	34 Å²	34	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.1	174.7	-63.4	-93.6	0	0	0	108.5	R177 Q203 L205 F207 I218 W221 L245 V246 V248	R177-F179 HydrophobicContact CB-CD2 4.46Å; R177-F179 HydrophobicContact CB-CE2 3.78Å; R177-F179 HydrophobicContact CB-CZ 4.14Å; R177-F179 HydrophobicContact CG-CE2 4.13Å; R177-F179 HydrophobicContact CG-CZ 4.19Å; F179-Q203 CarbonylContact C-O 3.57Å; F179-Q203 WeakPolarHBondContact CA-O 3.43Å; F179-Q203 HydrophobicContact CD1-CB 3.48Å; F179-Q203 VanDerWaalsContact CD1-CB 3.48Å; F179-Q203 HydrophobicContact CD1-CG 3.74Å; F179-Q203 HydrophobicContact CE1-CB 3.79Å; F179-Q203 HydrophobicContact CE1-CG 3.9Å; F179-Q203 HydrophobicContact CG-CB 4.31Å; F179-L205 HydrophobicContact CB-CD1 4.17Å; F179-L205 HydrophobicContact CD1-CD1 3.48Å; F179-L205 VanDerWaalsContact CD1-CD1 3.48Å; F179-L205 HydrophobicContact CD1-CG 4.08Å; F179-L205 HydrophobicContact CE1-CD1 4.25Å; F179-L205 HydrophobicContact CG-CD1 4.18Å; F179-F207 HydrophobicContact CB-CZ 4.01Å; F179-I218 HydrophobicContact CB-CD1 4.08Å; F179-I218 HydrophobicContact CB-CG1 4.46Å; F179-I218 HydrophobicContact CD1-CD1 4.24Å; F179-I218 HydrophobicContact CD1-CG1 3.68Å; F179-I218 HydrophobicContact CD2-CD1 4.26Å; F179-I218 HydrophobicContact CD2-CG1 4.09Å; F179-I218 HydrophobicContact CE1-CG1 3.82Å; F179-I218 HydrophobicContact CE2-CG1 4.2Å; F179-I218 HydrophobicContact CE2-CG2 4.13Å; F179-I218 HydrophobicContact CG-CD1 3.95Å; F179-I218 HydrophobicContact CG-CG1 3.82Å; F179-I218 HydrophobicContact CZ-CG1 4.07Å; F179-I218 HydrophobicContact CZ-CG2 4.32Å; F179-W221 HydrophobicContact CE2-CE3 4.36Å; F179-W221 HydrophobicContact CZ-CD2 4.02Å; F179-W221 AromaticContact CZ-CE3 3.79Å; F179-W221 HydrophobicContact CZ-CE3 3.79Å; F179-W221 HydrophobicContact CZ-CG 4.37Å; F179-W221 HydrophobicContact CZ-CZ3 4.33Å; F179-L245 CarbonylContact O-C 3.57Å; F179-L245 WeakPolarHBondContact O-CA 3.31Å; F179-V246 PolarHBondContact N-O 3.15Å; F179-V246 PolarHBondContact O-N 2.83Å; F179-V248 HydrophobicContact CD2-CB 4.19Å; F179-V248 HydrophobicContact CD2-CG2 3.65Å; F179-V248 HydrophobicContact CE2-CB 3.91Å; F179-V248 HydrophobicContact CE2-CG2 3.75Å
180	G	95.1	Very high	89.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	156.4	-177.3	0	0	0	0	0	112	Q203 P204 L205 V244	G180-Q203 PolarHBondContact N-O 2.84Å; G180-P204 CarbonylContact O-C 3.58Å; G180-P204 WeakPolarHBondContact O-CA 3.44Å; G180-L205 PolarHBondContact O-N 3.11Å; G180-V244 CarbonylContact C-O 3.11Å; G180-V244 WeakPolarHBondContact CA-O 3.45Å
181	D	95.1	Very high	90	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.6	179	-174.7	-102.4	0	0	0	112.3	S183 L184 L205 F207 K208 V244	D181-S183 PolarHBondContact O-N 2.98Å; D181-S183 VanDerWaalsContact O-N 3.1Å; D181-S183 WeakPolarHBondContact OD1-CB 3.39Å; D181-S183 PolarHBondContact OD1-N 3.14Å; D181-S183 PolarHBondContact OD1-OG 3.21Å; D181-L184 PolarHBondContact O-N 3.02Å; D181-L184 VanDerWaalsContact O-N 3.15Å; D181-L205 CarbonylContact C-O 3.52Å; D181-L205 WeakPolarHBondContact CA-O 3.18Å; D181-F207 HydrophobicContact CB-CD2 3.96Å; D181-F207 PolarHBondContact OD2-N 2.85Å; D181-K208 IonicContact OD1-NZ 2.76Å; D181-K208 PolarHBondContact OD2-N 3.34Å; D181-V244 PolarHBondContact N-O 3.44Å
182	K	94.1	Very high	90.4	Very high	113 Å²	113	34.6 Å²	34.6	49%	0.491	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.8	-176.8	67	173.1	-174	-174.2	0	114.5	L184 P204 L205 D206	K182-L184 PolarHBondContact O-N 2.89Å; K182-P204 HydrophobicContact CB-CB 4.44Å; K182-L205 WeakPolarHBondContact CB-O 3.45Å; K182-L205 PolarHBondContact N-O 2.63Å; K182-D206 HydrophobicContact CD-CB 3.85Å; K182-D206 WeakPolarHBondContact CE-OD1 3.42Å; K182-D206 WeakPolarHBondContact CE-OD2 3.37Å; K182-D206 HydrophobicContact CG-CB 4.49Å; K182-D206 IonicContact NZ-OD1 3.56Å; K182-D206 PolarHBondContact NZ-OD1 2.88Å; K182-D206 VanDerWaalsContact NZ-OD1 3.16Å; K182-D206 IonicContact NZ-OD2 3.85Å; K182-D206 PolarHBondContact NZ-OD2 2.04Å
183	S	91.1	Very high	90.7	Very high	43 Å²	43	34.7 Å²	34.7	30%	0.301	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	0.3	176.4	68.2	0	0	0	0	113.5	D181 K208 R391	D181-S183 PolarHBondContact O-N 2.98Å; D181-S183 VanDerWaalsContact O-N 3.1Å; D181-S183 WeakPolarHBondContact OD1-CB 3.39Å; D181-S183 PolarHBondContact OD1-N 3.14Å; D181-S183 PolarHBondContact OD1-OG 3.21Å; S183-K208 PolarHBondContact OG-NZ 2.94Å; S183-R391 VanDerWaalsContact O-CZ 3.26Å; S183-R391 PolarHBondContact O-NH1 2.98Å; S183-R391 PolarHBondContact O-NH2 3.24Å
184	L	90.4	Very high	91.1	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.042	18%	0.179	C	C	.	.	S	Bend	trans	-103.1	135.3	173.8	-58.3	178.9	0	0	0	111.5	D181 K182 F186 V244 L394	D181-L184 PolarHBondContact O-N 3.02Å; D181-L184 VanDerWaalsContact O-N 3.15Å; K182-L184 PolarHBondContact O-N 2.89Å; L184-F186 HydrophobicContact CB-CE1 4Å; L184-F186 HydrophobicContact CB-CE2 4.26Å; L184-F186 HydrophobicContact CB-CZ 3.75Å; L184-F186 HydrophobicContact CD1-CE1 4.19Å; L184-F186 HydrophobicContact CD1-CZ 4.27Å; L184-F186 WeakPolarHBondContact O-CD2 3.35Å; L184-F186 WeakPolarHBondContact O-CE2 3.29Å; L184-V244 HydrophobicContact CD1-CG1 3.84Å; L184-L394 HydrophobicContact CD1-CD1 3.84Å
185	T	91.4	Very high	91.4	Very high	63 Å²	63	37.1 Å²	37.1	39%	0.387	19%	0.192	S	C	.	.			trans	-90.3	109.4	171.1	-57.9	0	0	0	0	109.6	V387 A388 E389	T185-V387 WeakPolarHBondContact O-CG1 3.48Å; T185-A388 HydrophobicContact CG2-CB 4.29Å; T185-A388 PolarHBondContact O-N 3.07Å; T185-E389 VanDerWaalsContact CB-CD 3.46Å; T185-E389 WeakPolarHBondContact CB-OE1 3.37Å; T185-E389 HydrophobicContact CG2-CG 4.38Å; T185-E389 PolarHBondContact OG1-OE1 2.63Å
186	F	92.3	Very high	91.7	Very high	17 Å²	17	39.4 Å²	39.4	8%	0.075	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-79.1	151.6	-177.4	-58.3	-73.6	0	0	0	112.5	L184 E188 Q191 L202 P204 I386	L184-F186 HydrophobicContact CB-CE1 4Å; L184-F186 HydrophobicContact CB-CE2 4.26Å; L184-F186 HydrophobicContact CB-CZ 3.75Å; L184-F186 HydrophobicContact CD1-CE1 4.19Å; L184-F186 HydrophobicContact CD1-CZ 4.27Å; L184-F186 WeakPolarHBondContact O-CD2 3.35Å; L184-F186 WeakPolarHBondContact O-CE2 3.29Å; F186-E188 PolarHBondContact O-N 3.37Å; F186-Q191 HydrophobicContact CB-CG 4.48Å; F186-L202 HydrophobicContact CD1-CD1 3.93Å; F186-L202 HydrophobicContact CD1-CD2 3.71Å; F186-L202 HydrophobicContact CD1-CG 4.49Å; F186-L202 HydrophobicContact CD2-CD2 3.8Å; F186-L202 HydrophobicContact CE1-CD1 3.96Å; F186-L202 HydrophobicContact CE1-CD2 3.57Å; F186-L202 HydrophobicContact CE1-CG 4.47Å; F186-L202 HydrophobicContact CE2-CD2 3.66Å; F186-L202 HydrophobicContact CG-CD2 3.84Å; F186-L202 HydrophobicContact CZ-CD2 3.55Å; F186-P204 HydrophobicContact CD2-CG 4.09Å; F186-P204 HydrophobicContact CE2-CB 4.25Å; F186-P204 HydrophobicContact CE2-CG 4Å; F186-I386 CarbonylContact C-O 3.59Å; F186-I386 WeakPolarHBondContact CA-O 3.19Å; F186-I386 HydrophobicContact CD1-CG2 4.14Å
187	N	92.4	Very high	91.7	Very high	44 Å²	44	38.9 Å²	38.9	24%	0.235	20%	0.201	C	C	.	.			trans	-77.9	115.3	179.6	-177.6	-21.2	0	0	0	110.7	T189 Y190 Q191 G385 I386	N187-T189 PolarHBondContact O-N 2.78Å; N187-T189 VanDerWaalsContact OD1-CB 3.3Å; N187-T189 WeakPolarHBondContact OD1-CB 3.31Å; N187-T189 PolarHBondContact OD1-N 2.99Å; N187-T189 PolarHBondContact OD1-OG1 3.27Å; N187-Y190 WeakPolarHBondContact O-CA 3.39Å; N187-Y190 WeakPolarHBondContact O-CB 3.34Å; N187-Y190 PolarHBondContact O-N 3.08Å; N187-Q191 WeakPolarHBondContact O-CG 3.48Å; N187-Q191 PolarHBondContact O-N 2.89Å; N187-G385 WeakPolarHBondContact CB-O 3.26Å; N187-G385 PolarHBondContact ND2-O 3.2Å; N187-I386 PolarHBondContact N-O 3.01Å
188	E	91.4	Very high	91.3	Very high	109 Å²	109	39 Å²	39	51%	0.509	20%	0.201	S	C	.	.	H	α-helix	trans	-61.4	-28.8	-179.5	-71	-58.5	152.8	0	0	113.7	F186 Y190 Q191 D192 K201	F186-E188 PolarHBondContact O-N 3.37Å; E188-Y190 VanDerWaalsContact C-N 3.31Å; E188-Y190 PolarHBondContact O-N 3.27Å; E188-Q191 WeakPolarHBondContact O-CB 3.12Å; E188-Q191 PolarHBondContact O-N 3.3Å; E188-Q191 VanDerWaalsContact O-N 3.17Å; E188-D192 PolarHBondContact O-N 2.71Å; E188-K201 IonicContact OE2-NZ 2.87Å; E188-K201 PolarHBondContact OE2-NZ 3.45Å
189	T	90.9	Very high	90.9	Very high	93 Å²	93	41.6 Å²	41.6	57%	0.571	23%	0.229	S	C	*	.	H	α-helix	trans	-64.5	-38.9	174.4	-48.3	0	0	0	0	111	N187 I193	N187-T189 PolarHBondContact O-N 2.78Å; N187-T189 VanDerWaalsContact OD1-CB 3.3Å; N187-T189 WeakPolarHBondContact OD1-CB 3.31Å; N187-T189 PolarHBondContact OD1-N 2.99Å; N187-T189 PolarHBondContact OD1-OG1 3.27Å; T189-I193 HydrophobicContact CG2-CD1 4.16Å; T189-I193 WeakPolarHBondContact O-CD1 3.31Å; T189-I193 VanDerWaalsContact O-CG1 3.25Å; T189-I193 WeakPolarHBondContact O-CG1 3.45Å; T189-I193 PolarHBondContact O-N 3.18Å
190	Y	91.5	Very high	90.3	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.027	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-42.9	172.2	172.1	-88.6	0	0	0	111.1	M121 L124 L178 N187 E188 I193 S194 L202 G385 I386	M121-Y190 VanDerWaalsContact O-CE2 3.32Å; M121-Y190 WeakPolarHBondContact O-CE2 3.19Å; M121-Y190 PolarHBondContact O-OH 2.93Å; L124-Y190 HydrophobicContact CB-CD2 4.31Å; L124-Y190 HydrophobicContact CB-CE2 4Å; L124-Y190 HydrophobicContact CD2-CD2 3.7Å; L124-Y190 HydrophobicContact CD2-CE2 3.82Å; L124-Y190 HydrophobicContact CG-CD2 3.87Å; L124-Y190 HydrophobicContact CG-CE2 4.04Å; L178-Y190 WeakPolarHBondContact CD2-OH 3.47Å; N187-Y190 WeakPolarHBondContact O-CA 3.39Å; N187-Y190 WeakPolarHBondContact O-CB 3.34Å; N187-Y190 PolarHBondContact O-N 3.08Å; E188-Y190 VanDerWaalsContact C-N 3.31Å; E188-Y190 PolarHBondContact O-N 3.27Å; Y190-I193 PolarHBondContact O-N 3.21Å; Y190-S194 VanDerWaalsContact O-CB 3.23Å; Y190-S194 WeakPolarHBondContact O-CB 3.34Å; Y190-S194 PolarHBondContact O-N 2.94Å; Y190-L202 HydrophobicContact CE1-CB 4.34Å; Y190-L202 HydrophobicContact CE1-CD1 4.26Å; Y190-G385 VanDerWaalsContact CB-O 3.31Å; Y190-G385 WeakPolarHBondContact CB-O 3.34Å; Y190-I386 HydrophobicContact CD1-CG2 4.22Å; Y190-I386 HydrophobicContact CD2-CG1 4.01Å; Y190-I386 HydrophobicContact CE1-CG1 4.47Å; Y190-I386 HydrophobicContact CE1-CG2 4.06Å; Y190-I386 HydrophobicContact CE2-CD1 4.03Å; Y190-I386 HydrophobicContact CE2-CG1 3.78Å; Y190-I386 HydrophobicContact CG-CG1 4.46Å
191	Q	91.6	Very high	90.1	Very high	9 Å²	9	44.4 Å²	44.4	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-48.9	179.2	-66.6	-75.5	37.4	0	0	112.3	F186 N187 E188 S194 E195 K201 L202	F186-Q191 HydrophobicContact CB-CG 4.48Å; N187-Q191 WeakPolarHBondContact O-CG 3.48Å; N187-Q191 PolarHBondContact O-N 2.89Å; E188-Q191 WeakPolarHBondContact O-CB 3.12Å; E188-Q191 PolarHBondContact O-N 3.3Å; E188-Q191 VanDerWaalsContact O-N 3.17Å; Q191-S194 PolarHBondContact O-N 3.03Å; Q191-E195 PolarHBondContact O-N 2.9Å; Q191-K201 HydrophobicContact CB-CD 3.82Å; Q191-K201 HydrophobicContact CB-CG 4.1Å; Q191-L202 PolarHBondContact NE2-O 3.32Å; Q191-L202 VanDerWaalsContact NE2-O 3.08Å
192	D	91.1	Very high	90	Very high	88 Å²	88	44.5 Å²	44.5	47%	0.471	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-41.3	-179	-71.2	-12	0	0	0	111.9	E188 S194 L196 K201	E188-D192 PolarHBondContact O-N 2.71Å; D192-S194 VanDerWaalsContact C-N 3.34Å; D192-L196 VanDerWaalsContact O-CB 3.24Å; D192-L196 WeakPolarHBondContact O-CB 3.31Å; D192-L196 PolarHBondContact O-N 3.36Å; D192-K201 WeakPolarHBondContact OD1-CE 3.32Å; D192-K201 IonicContact OD1-NZ 3.31Å; D192-K201 PolarHBondContact OD1-NZ 2.95Å
193	I	89.5	Confident	90.1	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.082	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-40.3	173.2	-64.3	167.7	0	0	0	110.3	M49 L124 T189 Y190 L196 V197	M49-I193 HydrophobicContact CB-CD1 4.46Å; M49-I193 HydrophobicContact CB-CG2 4.33Å; M49-I193 HydrophobicContact CG-CG2 4.2Å; M49-I193 HydrophobicContact SD-CG2 4.47Å; L124-I193 HydrophobicContact CD1-CG2 4.09Å; L124-I193 HydrophobicContact CD2-CB 4Å; L124-I193 HydrophobicContact CD2-CG2 3.54Å; L124-I193 HydrophobicContact CG-CG2 4.49Å; T189-I193 HydrophobicContact CG2-CD1 4.16Å; T189-I193 WeakPolarHBondContact O-CD1 3.31Å; T189-I193 VanDerWaalsContact O-CG1 3.25Å; T189-I193 WeakPolarHBondContact O-CG1 3.45Å; T189-I193 PolarHBondContact O-N 3.18Å; Y190-I193 PolarHBondContact O-N 3.21Å; I193-L196 PolarHBondContact O-N 3.14Å; I193-V197 HydrophobicContact CG2-CG2 3.85Å; I193-V197 VanDerWaalsContact O-CB 3.25Å; I193-V197 WeakPolarHBondContact O-CB 3.12Å; I193-V197 WeakPolarHBondContact O-CG2 3.43Å; I193-V197 PolarHBondContact O-N 2.78Å
194	S	90.5	Very high	90.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-41.9	-179.3	-162.9	0	0	0	0	112.2	Y190 Q191 D192 Y198 G199 A200	Y190-S194 VanDerWaalsContact O-CB 3.23Å; Y190-S194 WeakPolarHBondContact O-CB 3.34Å; Y190-S194 PolarHBondContact O-N 2.94Å; Q191-S194 PolarHBondContact O-N 3.03Å; D192-S194 VanDerWaalsContact C-N 3.34Å; S194-Y198 WeakPolarHBondContact O-CA 3.03Å; S194-Y198 WeakPolarHBondContact O-CB 3.24Å; S194-Y198 PolarHBondContact O-N 2.6Å; S194-G199 PolarHBondContact O-N 3.32Å; S194-A200 PolarHBondContact OG-O 3.22Å
195	E	90.4	Very high	90.6	Very high	105 Å²	105	43.6 Å²	43.6	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-46.1	172.9	-174.9	157.7	-134.3	0	0	112.1	Q191 G199 K201	Q191-E195 PolarHBondContact O-N 2.9Å; E195-G199 WeakPolarHBondContact O-CA 3.17Å; E195-G199 PolarHBondContact O-N 3.1Å; E195-K201 HydrophobicContact CB-CG 3.82Å; E195-K201 HydrophobicContact CG-CG 4.42Å; E195-K201 VanDerWaalsContact OE2-CE 3.25Å; E195-K201 WeakPolarHBondContact OE2-CE 3.38Å
196	L	88.2	Confident	90.9	Very high	51 Å²	51	41.9 Å²	41.9	27%	0.267	23%	0.231	S	C	.	.	H	α-helix	trans	-72.8	-30.6	-176.9	-176.4	54.4	0	0	0	113.9	V37 I39 I47 M49 D192 I193	V37-L196 HydrophobicContact CB-CD1 4.26Å; V37-L196 WeakPolarHBondContact O-CD1 3.3Å; I39-L196 HydrophobicContact CB-CD1 4.33Å; I39-L196 VanDerWaalsContact CB-O 3.27Å; I39-L196 WeakPolarHBondContact CB-O 3.46Å; I39-L196 WeakPolarHBondContact CG1-O 3.23Å; I39-L196 WeakPolarHBondContact CG2-O 3.28Å; I47-L196 HydrophobicContact CD1-CD2 3.97Å; I47-L196 HydrophobicContact CD1-CG 4.33Å; I47-L196 HydrophobicContact CG1-CD2 4.29Å; I47-L196 HydrophobicContact CG2-CD2 3.58Å; M49-L196 HydrophobicContact CE-CD2 4.41Å; M49-L196 HydrophobicContact CE-CG 4.37Å; D192-L196 VanDerWaalsContact O-CB 3.24Å; D192-L196 WeakPolarHBondContact O-CB 3.31Å; D192-L196 PolarHBondContact O-N 3.36Å; I193-L196 PolarHBondContact O-N 3.14Å
197	V	85.9	Confident	91	Very high	11 Å²	11	41.1 Å²	41.1	7%	0.067	23%	0.227	C	C	.	.	H	α-helix	trans	-91.2	-43.3	-179.2	175.8	0	0	0	0	112.3	M49 H152 A156 I193	M49-V197 HydrophobicContact CE-CG2 3.35Å; M49-V197 HydrophobicContact SD-CG2 3.48Å; M49-V197 WeakPolarHBondContact SD-CG2 3.35Å; H152-V197 HydrophobicContact CB-CG1 4.06Å; H152-V197 HydrophobicContact CB-CG2 4.4Å; H152-V197 WeakPolarHBondContact O-CG1 3.48Å; A156-V197 HydrophobicContact CB-CG1 4.01Å; I193-V197 HydrophobicContact CG2-CG2 3.85Å; I193-V197 VanDerWaalsContact O-CB 3.25Å; I193-V197 WeakPolarHBondContact O-CB 3.12Å; I193-V197 WeakPolarHBondContact O-CG2 3.43Å; I193-V197 PolarHBondContact O-N 2.78Å
198	Y	84.8	Confident	91.1	Very high	34 Å²	34	43.2 Å²	43.2	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-116.3	-5.8	-167.9	-56.3	-79.6	0	0	0	113.5	T117 A120 M121 H152 F155 S194	T117-Y198 HydrophobicContact CG2-CD1 3.74Å; T117-Y198 HydrophobicContact CG2-CE1 3.79Å; T117-Y198 WeakPolarHBondContact O-CE1 3.43Å; A120-Y198 VanDerWaalsContact C-OH 3.28Å; A120-Y198 WeakPolarHBondContact CB-OH 3.38Å; A120-Y198 PolarHBondContact O-OH 3.34Å; M121-Y198 HydrophobicContact CB-CD2 4.38Å; M121-Y198 HydrophobicContact CB-CE2 4.24Å; M121-Y198 HydrophobicContact CG-CD1 3.58Å; M121-Y198 HydrophobicContact CG-CD2 3.6Å; M121-Y198 HydrophobicContact CG-CE1 3.66Å; M121-Y198 HydrophobicContact CG-CE2 3.71Å; M121-Y198 HydrophobicContact CG-CG 3.54Å; M121-Y198 VanDerWaalsContact SD-CB 3.6Å; M121-Y198 HydrophobicContact SD-CD1 3.94Å; M121-Y198 HydrophobicContact SD-CD2 4.01Å; M121-Y198 HydrophobicContact SD-CG 3.59Å; M121-Y198 VanDerWaalsContact SD-CG 3.59Å; H152-Y198 PolarHBondContact ND1-OH 2.98Å; F155-Y198 HydrophobicContact CB-CE1 4.46Å; S194-Y198 WeakPolarHBondContact O-CA 3.03Å; S194-Y198 WeakPolarHBondContact O-CB 3.24Å; S194-Y198 PolarHBondContact O-N 2.6Å
199	G	85.4	Confident	91.3	Very high	57 Å²	57	45.2 Å²	45.2	59%	0.588	24%	0.244	S	C	*	.	S	Bend	trans	82.5	12.4	175.3	0	0	0	0	0	115.2	S194 E195	S194-G199 PolarHBondContact O-N 3.32Å; E195-G199 WeakPolarHBondContact O-CA 3.17Å; E195-G199 PolarHBondContact O-N 3.1Å
200	A	84.3	Confident	91.6	Very high	14 Å²	14	43.5 Å²	43.5	12%	0.116	23%	0.231	C	C	.	.			trans	-155.8	126.8	176.6	0	0	0	0	0	113.9	R177 S194	R177-A200 HydrophobicContact CB-CB 4.49Å; R177-A200 HydrophobicContact CG-CB 4.01Å; S194-A200 PolarHBondContact OG-O 3.22Å
201	K	90.6	Very high	91.8	Very high	49 Å²	49	43.6 Å²	43.6	21%	0.213	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-60.8	145.3	159.1	-68	-160.8	161.8	-156.3	0	110.7	R177 E188 Q191 D192 E195	R177-K201 VanDerWaalsContact CZ-O 3.27Å; R177-K201 PolarHBondContact NE-O 3.3Å; R177-K201 PolarHBondContact NH2-O 3.15Å; E188-K201 IonicContact OE2-NZ 2.87Å; E188-K201 PolarHBondContact OE2-NZ 3.45Å; Q191-K201 HydrophobicContact CB-CD 3.82Å; Q191-K201 HydrophobicContact CB-CG 4.1Å; D192-K201 WeakPolarHBondContact OD1-CE 3.32Å; D192-K201 IonicContact OD1-NZ 3.31Å; D192-K201 PolarHBondContact OD1-NZ 2.95Å; E195-K201 HydrophobicContact CB-CG 3.82Å; E195-K201 HydrophobicContact CG-CG 4.42Å; E195-K201 VanDerWaalsContact OE2-CE 3.25Å; E195-K201 WeakPolarHBondContact OE2-CE 3.38Å
202	L	92.8	Very high	92.1	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-55.3	135.5	166	-180	161	0	0	0	109.3	L178 F186 Y190 Q191 P204 L245 I386	L178-L202 HydrophobicContact CB-CB 4.14Å; L178-L202 HydrophobicContact CB-CD1 3.85Å; L178-L202 HydrophobicContact CB-CG 3.76Å; L178-L202 HydrophobicContact CD2-CD1 4.26Å; L178-L202 WeakPolarHBondContact O-CA 3.46Å; F186-L202 HydrophobicContact CD1-CD1 3.93Å; F186-L202 HydrophobicContact CD1-CD2 3.71Å; F186-L202 HydrophobicContact CD1-CG 4.49Å; F186-L202 HydrophobicContact CD2-CD2 3.8Å; F186-L202 HydrophobicContact CE1-CD1 3.96Å; F186-L202 HydrophobicContact CE1-CD2 3.57Å; F186-L202 HydrophobicContact CE1-CG 4.47Å; F186-L202 HydrophobicContact CE2-CD2 3.66Å; F186-L202 HydrophobicContact CG-CD2 3.84Å; F186-L202 HydrophobicContact CZ-CD2 3.55Å; Y190-L202 HydrophobicContact CE1-CB 4.34Å; Y190-L202 HydrophobicContact CE1-CD1 4.26Å; Q191-L202 PolarHBondContact NE2-O 3.32Å; Q191-L202 VanDerWaalsContact NE2-O 3.08Å; L202-P204 WeakPolarHBondContact O-CD 3.45Å; L202-L245 HydrophobicContact CD1-CD1 3.88Å; L202-I386 HydrophobicContact CD1-CG2 3.8Å
203	Q	95.2	Very high	92.4	Very high	62 Å²	62	49.9 Å²	49.9	29%	0.29	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.8	-177.7	-175	58.2	63.2	0	0	111.5	R177 L178 F179 G180 L205	R177-Q203 VanDerWaalsContact CZ-OE1 3.25Å; L178-Q203 PolarHBondContact O-N 2.92Å; F179-Q203 CarbonylContact C-O 3.57Å; F179-Q203 WeakPolarHBondContact CA-O 3.43Å; F179-Q203 HydrophobicContact CD1-CB 3.48Å; F179-Q203 VanDerWaalsContact CD1-CB 3.48Å; F179-Q203 HydrophobicContact CD1-CG 3.74Å; F179-Q203 HydrophobicContact CE1-CB 3.79Å; F179-Q203 HydrophobicContact CE1-CG 3.9Å; F179-Q203 HydrophobicContact CG-CB 4.31Å; G180-Q203 PolarHBondContact N-O 2.84Å; Q203-L205 HydrophobicContact CG-CD2 4.19Å; Q203-L205 HydrophobicContact CG-CG 4.08Å
204	P	96.1	Very high	92.8	Very high	56 Å²	56	49.4 Å²	49.4	36%	0.364	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	132.7	162.5	-20	32.9	0	0	0	110.3	G180 K182 F186 L202	G180-P204 CarbonylContact O-C 3.58Å; G180-P204 WeakPolarHBondContact O-CA 3.44Å; K182-P204 HydrophobicContact CB-CB 4.44Å; F186-P204 HydrophobicContact CD2-CG 4.09Å; F186-P204 HydrophobicContact CE2-CB 4.25Å; F186-P204 HydrophobicContact CE2-CG 4Å; L202-P204 WeakPolarHBondContact O-CD 3.45Å
205	L	96.8	Very high	93.1	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	165.8	172.8	-75.7	-175	0	0	0	110.7	F179 G180 D181 K182 Q203 F207 A217 I218	F179-L205 HydrophobicContact CB-CD1 4.17Å; F179-L205 HydrophobicContact CD1-CD1 3.48Å; F179-L205 VanDerWaalsContact CD1-CD1 3.48Å; F179-L205 HydrophobicContact CD1-CG 4.08Å; F179-L205 HydrophobicContact CE1-CD1 4.25Å; F179-L205 HydrophobicContact CG-CD1 4.18Å; G180-L205 PolarHBondContact O-N 3.11Å; D181-L205 CarbonylContact C-O 3.52Å; D181-L205 WeakPolarHBondContact CA-O 3.18Å; K182-L205 WeakPolarHBondContact CB-O 3.45Å; K182-L205 PolarHBondContact N-O 2.63Å; Q203-L205 HydrophobicContact CG-CD2 4.19Å; Q203-L205 HydrophobicContact CG-CG 4.08Å; L205-F207 HydrophobicContact CB-CE1 4.18Å; L205-F207 HydrophobicContact CB-CZ 4.15Å; L205-F207 HydrophobicContact CD1-CE1 4.23Å; L205-F207 HydrophobicContact CD1-CZ 4.28Å; L205-A217 HydrophobicContact CD2-CB 4.34Å; L205-I218 HydrophobicContact CD1-CD1 3.77Å; L205-I218 HydrophobicContact CD1-CG1 3.54Å
206	D	96.5	Very high	93.4	Very high	28 Å²	28	48.4 Å²	48.4	15%	0.15	26%	0.261	C	S	.	.			trans	-99	88.8	-179.4	-169.6	2.8	0	0	0	110	K182 E209 N210 A211 S214	K182-D206 HydrophobicContact CD-CB 3.85Å; K182-D206 WeakPolarHBondContact CE-OD1 3.42Å; K182-D206 WeakPolarHBondContact CE-OD2 3.37Å; K182-D206 HydrophobicContact CG-CB 4.49Å; K182-D206 IonicContact NZ-OD1 3.56Å; K182-D206 PolarHBondContact NZ-OD1 2.88Å; K182-D206 VanDerWaalsContact NZ-OD1 3.16Å; K182-D206 IonicContact NZ-OD2 3.85Å; K182-D206 PolarHBondContact NZ-OD2 2.04Å; D206-E209 PolarHBondContact OD1-N 2.82Å; D206-N210 HydrophobicContact CB-CB 4.03Å; D206-N210 CarbonylContact O-C 3.57Å; D206-N210 PolarHBondContact O-N 2.72Å; D206-N210 PolarHBondContact OD2-ND2 2.8Å; D206-A211 PolarHBondContact O-N 2.71Å; D206-S214 PolarHBondContact N-OG 2.91Å; D206-S214 VanDerWaalsContact N-OG 3.13Å; D206-S214 PolarHBondContact O-OG 2.77Å
207	F	96.3	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.			trans	-83.6	-42.1	178.4	-64.7	-48.2	0	0	0	110.7	F179 D181 L205 E209 A211 I218 I239 T243 V246	F179-F207 HydrophobicContact CB-CZ 4.01Å; D181-F207 HydrophobicContact CB-CD2 3.96Å; D181-F207 PolarHBondContact OD2-N 2.85Å; L205-F207 HydrophobicContact CB-CE1 4.18Å; L205-F207 HydrophobicContact CB-CZ 4.15Å; L205-F207 HydrophobicContact CD1-CE1 4.23Å; L205-F207 HydrophobicContact CD1-CZ 4.28Å; F207-E209 PolarHBondContact O-N 3.21Å; F207-A211 WeakPolarHBondContact O-CB 3.32Å; F207-A211 PolarHBondContact O-N 2.94Å; F207-I218 HydrophobicContact CE1-CD1 4.12Å; F207-I218 HydrophobicContact CZ-CD1 4.26Å; F207-I239 HydrophobicContact CD1-CD1 3.86Å; F207-I239 HydrophobicContact CE1-CD1 3.61Å; F207-T243 VanDerWaalsContact CB-O 3.22Å; F207-T243 WeakPolarHBondContact CB-O 3.35Å; F207-T243 HydrophobicContact CD1-CG2 4.21Å; F207-T243 HydrophobicContact CD2-CG2 3.86Å; F207-T243 WeakPolarHBondContact CD2-O 3.49Å; F207-T243 HydrophobicContact CE1-CG2 4.37Å; F207-T243 HydrophobicContact CE2-CG2 4.02Å; F207-T243 HydrophobicContact CG-CG2 3.97Å; F207-T243 HydrophobicContact CZ-CG2 4.28Å; F207-V246 HydrophobicContact CZ-CG2 4.19Å
208	K	93.9	Very high	94.4	Very high	89 Å²	89	47.5 Å²	47.5	39%	0.387	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-41.9	-175	-69.6	175.8	-179.3	177.4	0	114.5	D181 S183 E241	D181-K208 IonicContact OD1-NZ 2.76Å; D181-K208 PolarHBondContact OD2-N 3.34Å; S183-K208 PolarHBondContact OG-NZ 2.94Å; K208-E241 WeakPolarHBondContact O-CG 3.39Å
209	E	96.1	Very high	94.9	Very high	151 Å²	151	46.3 Å²	46.3	71%	0.706	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-17.6	-176.5	-52.8	-68.7	143.5	0	0	113	D206 F207	D206-E209 PolarHBondContact OD1-N 2.82Å; F207-E209 PolarHBondContact O-N 3.21Å
210	N	96.6	Very high	95.4	Very high	57 Å²	57	50.5 Å²	50.5	31%	0.305	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	37.4	-167.5	-72.3	-77.3	0	0	0	114	D206 E212 Q213 S214	D206-N210 HydrophobicContact CB-CB 4.03Å; D206-N210 CarbonylContact O-C 3.57Å; D206-N210 PolarHBondContact O-N 2.72Å; D206-N210 PolarHBondContact OD2-ND2 2.8Å; N210-E212 PolarHBondContact O-N 3.14Å; N210-Q213 HydrophobicContact CB-CB 4.25Å; N210-Q213 HydrophobicContact CB-CG 4.33Å; N210-Q213 WeakPolarHBondContact O-CB 3.29Å; N210-Q213 PolarHBondContact O-N 3.04Å; N210-Q213 PolarHBondContact OD1-NE2 2.72Å; N210-S214 PolarHBondContact O-N 3.09Å
211	A	96.3	Very high	95.9	Very high	9 Å²	9	52.1 Å²	52.1	7%	0.074	26%	0.263	C	S	.	.	H	α-helix	trans	-42.5	-52.4	-176.3	0	0	0	0	0	115.1	D206 F207 Q213 S214 R215	D206-A211 PolarHBondContact O-N 2.71Å; F207-A211 WeakPolarHBondContact O-CB 3.32Å; F207-A211 PolarHBondContact O-N 2.94Å; A211-Q213 PolarHBondContact O-N 3.17Å; A211-S214 CarbonylContact O-C 3.6Å; A211-S214 WeakPolarHBondContact O-CB 3.4Å; A211-S214 PolarHBondContact O-N 2.92Å; A211-R215 PolarHBondContact O-N 3.38Å
212	E	96.9	Very high	96	Very high	92 Å²	92	49.8 Å²	49.8	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-33.5	-179.9	-89.6	-64.2	121.9	0	0	113.7	N210 S214 R215 A216	N210-E212 PolarHBondContact O-N 3.14Å; E212-S214 VanDerWaalsContact C-N 3.34Å; E212-R215 VanDerWaalsContact CD-NE 3.3Å; E212-R215 WeakPolarHBondContact O-CB 3.32Å; E212-R215 PolarHBondContact O-N 3.31Å; E212-R215 WeakPolarHBondContact OE1-CD 3.28Å; E212-R215 IonicContact OE1-CZ 2.7Å; E212-R215 IonicContact OE1-NE 2.87Å; E212-R215 PolarHBondContact OE1-NE 2.81Å; E212-R215 IonicContact OE1-NH2 2.69Å; E212-R215 IonicContact OE2-CZ 2.67Å; E212-R215 IonicContact OE2-NE 3.73Å; E212-R215 PolarHBondContact OE2-NE 3.3Å; E212-R215 VanDerWaalsContact OE2-NE 3.14Å; E212-R215 IonicContact OE2-NH2 3.59Å; E212-R215 PolarHBondContact OE2-NH2 2.95Å; E212-A216 WeakPolarHBondContact O-CB 3.46Å; E212-A216 PolarHBondContact O-N 2.89Å
213	Q	97.3	Very high	96	Very high	136 Å²	136	50.9 Å²	50.9	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-68.2	-39.3	173.6	-55.4	-170.4	31.6	0	0	110.6	N210 A211 A216 A217	N210-Q213 HydrophobicContact CB-CB 4.25Å; N210-Q213 HydrophobicContact CB-CG 4.33Å; N210-Q213 WeakPolarHBondContact O-CB 3.29Å; N210-Q213 PolarHBondContact O-N 3.04Å; N210-Q213 PolarHBondContact OD1-NE2 2.72Å; A211-Q213 PolarHBondContact O-N 3.17Å; Q213-A216 PolarHBondContact O-N 3.31Å; Q213-A217 WeakPolarHBondContact O-CB 3.22Å; Q213-A217 PolarHBondContact O-N 2.73Å
214	S	97.8	Very high	95.9	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-38.1	173.4	-68.6	0	0	0	0	111.8	D206 N210 A211 E212 A217 I218	D206-S214 PolarHBondContact N-OG 2.91Å; D206-S214 VanDerWaalsContact N-OG 3.13Å; D206-S214 PolarHBondContact O-OG 2.77Å; N210-S214 PolarHBondContact O-N 3.09Å; A211-S214 CarbonylContact O-C 3.6Å; A211-S214 WeakPolarHBondContact O-CB 3.4Å; A211-S214 PolarHBondContact O-N 2.92Å; E212-S214 VanDerWaalsContact C-N 3.34Å; S214-A217 PolarHBondContact O-N 2.91Å; S214-I218 WeakPolarHBondContact O-CG1 3.44Å; S214-I218 PolarHBondContact O-N 3.17Å
215	R	97.4	Very high	95.5	Very high	32 Å²	32	56.2 Å²	56.2	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-48.5	173.1	-165.1	-177.6	62.3	82.2	5	111.5	A211 E212 A217 I218 N219 I234 P235 I239	A211-R215 PolarHBondContact O-N 3.38Å; E212-R215 VanDerWaalsContact CD-NE 3.3Å; E212-R215 WeakPolarHBondContact O-CB 3.32Å; E212-R215 PolarHBondContact O-N 3.31Å; E212-R215 WeakPolarHBondContact OE1-CD 3.28Å; E212-R215 IonicContact OE1-CZ 2.7Å; E212-R215 IonicContact OE1-NE 2.87Å; E212-R215 PolarHBondContact OE1-NE 2.81Å; E212-R215 IonicContact OE1-NH2 2.69Å; E212-R215 IonicContact OE2-CZ 2.67Å; E212-R215 IonicContact OE2-NE 3.73Å; E212-R215 PolarHBondContact OE2-NE 3.3Å; E212-R215 VanDerWaalsContact OE2-NE 3.14Å; E212-R215 IonicContact OE2-NH2 3.59Å; E212-R215 PolarHBondContact OE2-NH2 2.95Å; R215-A217 VanDerWaalsContact C-N 3.3Å; R215-A217 PolarHBondContact O-N 2.96Å; R215-I218 PolarHBondContact O-N 2.69Å; R215-N219 PolarHBondContact NH1-ND2 3.45Å; R215-N219 PolarHBondContact O-N 3.13Å; R215-I234 HydrophobicContact CG-CB 3.91Å; R215-I234 HydrophobicContact CG-CG2 3.74Å; R215-I234 PolarHBondContact NH1-O 2.88Å; R215-P235 VanDerWaalsContact CD-O 3.23Å; R215-P235 WeakPolarHBondContact CD-O 3.27Å; R215-I239 HydrophobicContact CB-CD1 3.74Å; R215-I239 HydrophobicContact CB-CG1 3.92Å; R215-I239 HydrophobicContact CG-CD1 4.26Å; R215-I239 HydrophobicContact CG-CG1 4.15Å
216	A	97.1	Very high	95	Very high	54 Å²	54	55 Å²	55	45%	0.446	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-37.9	176.2	0	0	0	0	0	112	E212 Q213 K220	E212-A216 WeakPolarHBondContact O-CB 3.46Å; E212-A216 PolarHBondContact O-N 2.89Å; Q213-A216 PolarHBondContact O-N 3.31Å; A216-K220 WeakPolarHBondContact O-CB 3.27Å; A216-K220 PolarHBondContact O-N 2.85Å
217	A	97.5	Very high	94.6	Very high	43 Å²	43	59 Å²	59	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175.4	0	0	0	0	0	112.6	L205 Q213 S214 R215 W221	L205-A217 HydrophobicContact CD2-CB 4.34Å; Q213-A217 WeakPolarHBondContact O-CB 3.22Å; Q213-A217 PolarHBondContact O-N 2.73Å; S214-A217 PolarHBondContact O-N 2.91Å; R215-A217 VanDerWaalsContact C-N 3.3Å; R215-A217 PolarHBondContact O-N 2.96Å; A217-W221 WeakPolarHBondContact O-CB 3.43Å; A217-W221 PolarHBondContact O-N 2.97Å
218	I	96.4	Very high	94.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-53	175.3	-68.1	166.7	0	0	0	110.8	F179 L205 F207 S214 R215 K220 W221 V222 V233 I234 I239 V248	F179-I218 HydrophobicContact CB-CD1 4.08Å; F179-I218 HydrophobicContact CB-CG1 4.46Å; F179-I218 HydrophobicContact CD1-CD1 4.24Å; F179-I218 HydrophobicContact CD1-CG1 3.68Å; F179-I218 HydrophobicContact CD2-CD1 4.26Å; F179-I218 HydrophobicContact CD2-CG1 4.09Å; F179-I218 HydrophobicContact CE1-CG1 3.82Å; F179-I218 HydrophobicContact CE2-CG1 4.2Å; F179-I218 HydrophobicContact CE2-CG2 4.13Å; F179-I218 HydrophobicContact CG-CD1 3.95Å; F179-I218 HydrophobicContact CG-CG1 3.82Å; F179-I218 HydrophobicContact CZ-CG1 4.07Å; F179-I218 HydrophobicContact CZ-CG2 4.32Å; L205-I218 HydrophobicContact CD1-CD1 3.77Å; L205-I218 HydrophobicContact CD1-CG1 3.54Å; F207-I218 HydrophobicContact CE1-CD1 4.12Å; F207-I218 HydrophobicContact CZ-CD1 4.26Å; S214-I218 WeakPolarHBondContact O-CG1 3.44Å; S214-I218 PolarHBondContact O-N 3.17Å; R215-I218 PolarHBondContact O-N 2.69Å; I218-K220 VanDerWaalsContact C-N 3.28Å; I218-K220 PolarHBondContact O-N 3.4Å; I218-W221 WeakPolarHBondContact O-CB 3.45Å; I218-W221 PolarHBondContact O-N 3.16Å; I218-W221 VanDerWaalsContact O-N 3.08Å; I218-V222 PolarHBondContact O-N 3.37Å; I218-V233 HydrophobicContact CG2-CG1 4.43Å; I218-I234 HydrophobicContact CB-CD1 4.26Å; I218-I234 HydrophobicContact CD1-CD1 3.63Å; I218-I234 HydrophobicContact CG2-CD1 3.73Å; I218-I234 HydrophobicContact CG2-CG1 4.09Å; I218-I239 HydrophobicContact CD1-CD1 4.39Å; I218-V248 HydrophobicContact CG2-CG1 4.32Å; I218-V248 HydrophobicContact CG2-CG2 3.81Å
219	N	95.9	Very high	93.9	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-37.4	-178.8	-73.9	-16.2	0	0	0	111.6	R215 S223 V233 I234	R215-N219 PolarHBondContact NH1-ND2 3.45Å; R215-N219 PolarHBondContact O-N 3.13Å; N219-S223 VanDerWaalsContact O-CB 3.29Å; N219-S223 WeakPolarHBondContact O-CB 3.36Å; N219-S223 PolarHBondContact O-N 2.8Å; N219-V233 VanDerWaalsContact OD1-CG1 3.24Å; N219-V233 WeakPolarHBondContact OD1-CG1 3.41Å; N219-V233 PolarHBondContact OD1-N 2.92Å; N219-V233 VanDerWaalsContact OD1-N 3.1Å; N219-I234 PolarHBondContact ND2-O 3.28Å; N219-I234 PolarHBondContact OD1-N 3.15Å
220	K	96.1	Very high	93.5	Very high	144 Å²	144	53 Å²	53	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-68	-37.4	173.3	-174	174.1	-178.2	176.1	0	112.9	A216 I218 N224	A216-K220 WeakPolarHBondContact O-CB 3.27Å; A216-K220 PolarHBondContact O-N 2.85Å; I218-K220 VanDerWaalsContact C-N 3.28Å; I218-K220 PolarHBondContact O-N 3.4Å; K220-N224 VanDerWaalsContact O-CB 3.31Å; K220-N224 WeakPolarHBondContact O-CB 3.48Å; K220-N224 VanDerWaalsContact O-CG 3.23Å; K220-N224 PolarHBondContact O-N 3.36Å
221	W	94.4	Very high	93.3	Very high	48 Å²	48	53 Å²	53	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-45.5	175.1	178.3	91.1	0	0	0	111.5	A175 R177 F179 A217 I218 N224 K225	A175-W221 HydrophobicContact CB-CE3 4.42Å; A175-W221 HydrophobicContact CB-CH2 3.71Å; A175-W221 HydrophobicContact CB-CZ3 3.58Å; R177-W221 HydrophobicContact CB-CH2 3.53Å; R177-W221 HydrophobicContact CB-CZ2 4.05Å; R177-W221 HydrophobicContact CB-CZ3 3.86Å; R177-W221 VanDerWaalsContact CD-CZ2 3.48Å; R177-W221 HydrophobicContact CG-CH2 4.34Å; R177-W221 HydrophobicContact CG-CZ2 4.37Å; F179-W221 HydrophobicContact CE2-CE3 4.36Å; F179-W221 HydrophobicContact CZ-CD2 4.02Å; F179-W221 AromaticContact CZ-CE3 3.79Å; F179-W221 HydrophobicContact CZ-CE3 3.79Å; F179-W221 HydrophobicContact CZ-CG 4.37Å; F179-W221 HydrophobicContact CZ-CZ3 4.33Å; A217-W221 WeakPolarHBondContact O-CB 3.43Å; A217-W221 PolarHBondContact O-N 2.97Å; I218-W221 WeakPolarHBondContact O-CB 3.45Å; I218-W221 PolarHBondContact O-N 3.16Å; I218-W221 VanDerWaalsContact O-N 3.08Å; W221-N224 PolarHBondContact O-N 2.95Å; W221-K225 HydrophobicContact CD2-CG 4.16Å; W221-K225 HydrophobicContact CH2-CG 4.34Å; W221-K225 HydrophobicContact CZ2-CD 4.4Å; W221-K225 HydrophobicContact CZ2-CG 3.9Å; W221-K225 WeakPolarHBondContact O-CB 3.44Å; W221-K225 WeakPolarHBondContact O-CG 3.49Å; W221-K225 PolarHBondContact O-N 3.29Å
222	V	92.8	Very high	93	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-46.9	175.2	166.2	0	0	0	0	111.6	I218 N224 K225 T226 I230 V233 V248 T250	I218-V222 PolarHBondContact O-N 3.37Å; V222-N224 PolarHBondContact O-N 2.76Å; V222-K225 PolarHBondContact O-N 3.02Å; V222-T226 HydrophobicContact CG1-CG2 4.42Å; V222-T226 WeakPolarHBondContact O-CB 3.44Å; V222-T226 WeakPolarHBondContact O-CG2 3.24Å; V222-T226 PolarHBondContact O-N 3.19Å; V222-T226 PolarHBondContact O-OG1 3.38Å; V222-I230 HydrophobicContact CG1-CB 4.12Å; V222-I230 HydrophobicContact CG1-CG2 3.92Å; V222-V233 HydrophobicContact CB-CG1 4.1Å; V222-V233 HydrophobicContact CG1-CG1 4.12Å; V222-V233 HydrophobicContact CG2-CG1 3.82Å; V222-V248 HydrophobicContact CG2-CG1 3.79Å; V222-T250 HydrophobicContact CG1-CG2 3.68Å; V222-T250 HydrophobicContact CG2-CG2 4.17Å
223	S	93.4	Very high	92.8	Very high	27 Å²	27	52.9 Å²	52.9	19%	0.189	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-48.9	177	-178.6	0	0	0	0	111.2	N219 K225 T226 E227 G228 I230	N219-S223 VanDerWaalsContact O-CB 3.29Å; N219-S223 WeakPolarHBondContact O-CB 3.36Å; N219-S223 PolarHBondContact O-N 2.8Å; S223-K225 PolarHBondContact O-N 3.16Å; S223-T226 PolarHBondContact O-N 3.04Å; S223-T226 PolarHBondContact O-OG1 2.81Å; S223-E227 PolarHBondContact O-N 2.85Å; S223-E227 VanDerWaalsContact O-N 3.13Å; S223-G228 PolarHBondContact O-N 3.02Å; S223-I230 VanDerWaalsContact CA-O 3.31Å; S223-I230 WeakPolarHBondContact CA-O 3.25Å; S223-I230 PolarHBondContact N-O 3.39Å
224	N	92.4	Very high	92.6	Very high	116 Å²	116	46.4 Å²	46.4	62%	0.62	25%	0.25	S	S	*	.	H	α-helix	trans	-59.4	-41.8	175.6	-75.7	-1.1	0	0	0	112.9	K220 W221 V222 T226	K220-N224 VanDerWaalsContact O-CB 3.31Å; K220-N224 WeakPolarHBondContact O-CB 3.48Å; K220-N224 VanDerWaalsContact O-CG 3.23Å; K220-N224 PolarHBondContact O-N 3.36Å; W221-N224 PolarHBondContact O-N 2.95Å; V222-N224 PolarHBondContact O-N 2.76Å; N224-T226 VanDerWaalsContact C-N 3.35Å
225	K	88.4	Confident	92.4	Very high	113 Å²	113	49.2 Å²	49.2	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-72.9	-23.4	179.8	-75.3	-73.5	-172.5	172.1	0	113.8	V173 A175 W221 V222 S223	V173-K225 VanDerWaalsContact CG1-O 3.3Å; V173-K225 WeakPolarHBondContact CG1-O 3.3Å; A175-K225 HydrophobicContact CB-CB 3.52Å; A175-K225 HydrophobicContact CB-CG 4.21Å; W221-K225 HydrophobicContact CD2-CG 4.16Å; W221-K225 HydrophobicContact CH2-CG 4.34Å; W221-K225 HydrophobicContact CZ2-CD 4.4Å; W221-K225 HydrophobicContact CZ2-CG 3.9Å; W221-K225 WeakPolarHBondContact O-CB 3.44Å; W221-K225 WeakPolarHBondContact O-CG 3.49Å; W221-K225 PolarHBondContact O-N 3.29Å; V222-K225 PolarHBondContact O-N 3.02Å; S223-K225 PolarHBondContact O-N 3.16Å
226	T	86.2	Confident	92.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-98.7	5.6	178	60.2	0	0	0	0	113.7	V222 S223 N224 G228 R229 I230	V222-T226 HydrophobicContact CG1-CG2 4.42Å; V222-T226 WeakPolarHBondContact O-CB 3.44Å; V222-T226 WeakPolarHBondContact O-CG2 3.24Å; V222-T226 PolarHBondContact O-N 3.19Å; V222-T226 PolarHBondContact O-OG1 3.38Å; S223-T226 PolarHBondContact O-N 3.04Å; S223-T226 PolarHBondContact O-OG1 2.81Å; N224-T226 VanDerWaalsContact C-N 3.35Å; T226-G228 VanDerWaalsContact C-N 3.33Å; T226-R229 WeakPolarHBondContact O-CG 3.29Å; T226-R229 PolarHBondContact O-N 2.73Å; T226-R229 PolarHBondContact O-NH1 3.5Å; T226-I230 HydrophobicContact CG2-CB 4.07Å; T226-I230 HydrophobicContact CG2-CD1 4.13Å; T226-I230 HydrophobicContact CG2-CG1 4.14Å; T226-I230 PolarHBondContact OG1-N 3.15Å; T226-I230 VanDerWaalsContact OG1-N 3.11Å; T226-I230 PolarHBondContact OG1-O 2.88Å
227	E	87.9	Confident	92	Very high	114 Å²	114	57.6 Å²	57.6	53%	0.533	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	41	-172.2	-43.4	164.2	-171.4	0	0	113	K171 S223 R229	K171-E227 WeakPolarHBondContact CE-OE1 3.49Å; K171-E227 IonicContact NZ-OE1 2.71Å; K171-E227 PolarHBondContact NZ-OE1 3.41Å; K171-E227 IonicContact NZ-OE2 3.95Å; K171-E227 PolarHBondContact NZ-OE2 3.26Å; S223-E227 PolarHBondContact O-N 2.85Å; S223-E227 VanDerWaalsContact O-N 3.13Å; E227-R229 PolarHBondContact O-N 2.8Å; E227-R229 IonicContact OE2-CZ 3.15Å; E227-R229 IonicContact OE2-NH1 3.78Å; E227-R229 PolarHBondContact OE2-NH1 3.06Å; E227-R229 IonicContact OE2-NH2 3.48Å; E227-R229 PolarHBondContact OE2-NH2 3Å
228	G	88.8	Confident	91.7	Very high	45 Å²	45	57.2 Å²	57.2	46%	0.464	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	4.7	178	0	0	0	0	0	115.5	S223 T226	S223-G228 PolarHBondContact O-N 3.02Å; T226-G228 VanDerWaalsContact C-N 3.33Å
229	R	86.7	Confident	91.6	Very high	68 Å²	68	57.4 Å²	57.4	26%	0.257	31%	0.305	S	S	.	.	S	Bend	trans	-82.7	-27.1	-176	-62.7	-169.3	-169.9	71.5	14.4	114.8	T226 E227 Y252 F404	T226-R229 WeakPolarHBondContact O-CG 3.29Å; T226-R229 PolarHBondContact O-N 2.73Å; T226-R229 PolarHBondContact O-NH1 3.5Å; E227-R229 PolarHBondContact O-N 2.8Å; E227-R229 IonicContact OE2-CZ 3.15Å; E227-R229 IonicContact OE2-NH1 3.78Å; E227-R229 PolarHBondContact OE2-NH1 3.06Å; E227-R229 IonicContact OE2-NH2 3.48Å; E227-R229 PolarHBondContact OE2-NH2 3Å; R229-Y252 HydrophobicContact CB-CD2 4.06Å; R229-Y252 HydrophobicContact CB-CE2 4.46Å; R229-Y252 HydrophobicContact CB-CG 4.49Å; R229-Y252 HydrophobicContact CG-CD2 4.44Å; R229-Y252 HydrophobicContact CG-CE2 4.43Å; R229-F404 WeakPolarHBondContact O-CE2 3.34Å
230	I	87.6	Confident	91.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-121.1	105.2	174.3	-55.1	-177.2	0	0	0	106.6	V222 S223 T226 T250 K402 F404	V222-I230 HydrophobicContact CG1-CB 4.12Å; V222-I230 HydrophobicContact CG1-CG2 3.92Å; S223-I230 VanDerWaalsContact CA-O 3.31Å; S223-I230 WeakPolarHBondContact CA-O 3.25Å; S223-I230 PolarHBondContact N-O 3.39Å; T226-I230 HydrophobicContact CG2-CB 4.07Å; T226-I230 HydrophobicContact CG2-CD1 4.13Å; T226-I230 HydrophobicContact CG2-CG1 4.14Å; T226-I230 PolarHBondContact OG1-N 3.15Å; T226-I230 VanDerWaalsContact OG1-N 3.11Å; T226-I230 PolarHBondContact OG1-O 2.88Å; I230-T250 HydrophobicContact CG2-CG2 4.2Å; I230-K402 HydrophobicContact CG2-CB 4.18Å; I230-K402 HydrophobicContact CG2-CD 3.76Å; I230-K402 HydrophobicContact CG2-CG 3.87Å; I230-F404 HydrophobicContact CD1-CB 4.24Å; I230-F404 HydrophobicContact CG1-CB 4.32Å
231	T	90.9	Very high	91.4	Very high	56 Å²	56	59 Å²	59	34%	0.344	32%	0.317	S	S	.	.			trans	-97.8	169.6	165.5	73.8	0	0	0	0	109.2	V233 K402	T231-V233 PolarHBondContact O-N 2.83Å; T231-K402 PolarHBondContact O-NZ 3.31Å
232	D	91.3	Very high	91.4	Very high	93 Å²	93	63 Å²	63	50%	0.497	34%	0.341	S	S	.	.			trans	46.8	61.9	161.9	-50.7	-62.4	0	0	0	114	K402	D232-K402 PolarHBondContact O-NZ 2.85Å; D232-K402 VanDerWaalsContact O-NZ 3.12Å
233	V	92.1	Very high	91.5	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.042	34%	0.342	C	S	.	.	S	Bend	trans	-82.1	-35.5	174.1	52.6	0	0	0	0	111.4	I218 N219 V222 T231 P235 V248 T250 F400 K402	I218-V233 HydrophobicContact CG2-CG1 4.43Å; N219-V233 VanDerWaalsContact OD1-CG1 3.24Å; N219-V233 WeakPolarHBondContact OD1-CG1 3.41Å; N219-V233 PolarHBondContact OD1-N 2.92Å; N219-V233 VanDerWaalsContact OD1-N 3.1Å; V222-V233 HydrophobicContact CB-CG1 4.1Å; V222-V233 HydrophobicContact CG1-CG1 4.12Å; V222-V233 HydrophobicContact CG2-CG1 3.82Å; T231-V233 PolarHBondContact O-N 2.83Å; V233-P235 WeakPolarHBondContact O-CD 3.35Å; V233-V248 HydrophobicContact CG1-CG1 4Å; V233-V248 HydrophobicContact CG2-CG1 4.08Å; V233-T250 HydrophobicContact CB-CG2 3.99Å; V233-T250 HydrophobicContact CG1-CG2 4.35Å; V233-T250 HydrophobicContact CG2-CG2 3.67Å; V233-F400 HydrophobicContact CG2-CB 4.01Å; V233-K402 HydrophobicContact CB-CB 4.22Å; V233-K402 HydrophobicContact CB-CD 4.28Å; V233-K402 HydrophobicContact CG2-CB 3.85Å
234	I	93.5	Very high	91.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	-99	110.5	169.1	-53.5	-169.4	0	0	0	107.9	R215 I218 N219 A238 I239 V246 V248 F400	R215-I234 HydrophobicContact CG-CB 3.91Å; R215-I234 HydrophobicContact CG-CG2 3.74Å; R215-I234 PolarHBondContact NH1-O 2.88Å; I218-I234 HydrophobicContact CB-CD1 4.26Å; I218-I234 HydrophobicContact CD1-CD1 3.63Å; I218-I234 HydrophobicContact CG2-CD1 3.73Å; I218-I234 HydrophobicContact CG2-CG1 4.09Å; N219-I234 PolarHBondContact ND2-O 3.28Å; N219-I234 PolarHBondContact OD1-N 3.15Å; I234-A238 HydrophobicContact CG2-CB 4.1Å; I234-I239 HydrophobicContact CD1-CG2 4.28Å; I234-I239 HydrophobicContact CG2-CG1 4.32Å; I234-I239 HydrophobicContact CG2-CG2 4Å; I234-V246 HydrophobicContact CD1-CG1 3.97Å; I234-V248 HydrophobicContact CD1-CG2 4.18Å; I234-F400 HydrophobicContact CD1-CD2 3.81Å; I234-F400 HydrophobicContact CD1-CE2 3.88Å; I234-F400 HydrophobicContact CG1-CD2 3.66Å; I234-F400 HydrophobicContact CG1-CE2 3.96Å; I234-F400 HydrophobicContact CG1-CG 4.16Å; I234-F400 HydrophobicContact CG2-CE2 4.07Å; I234-F400 HydrophobicContact CG2-CZ 4.16Å
235	P	93.4	Very high	91.6	Very high	65 Å²	65	57.3 Å²	57.3	42%	0.422	31%	0.309	S	S	.	.			trans	-67.3	162.4	175.3	27.8	-31.1	0	0	0	110.9	R215 V233 A238	R215-P235 VanDerWaalsContact CD-O 3.23Å; R215-P235 WeakPolarHBondContact CD-O 3.27Å; V233-P235 WeakPolarHBondContact O-CD 3.35Å; P235-A238 HydrophobicContact CG-CB 3.85Å; P235-A238 WeakPolarHBondContact O-CB 3.37Å; P235-A238 PolarHBondContact O-N 3.25Å
236	P	93.9	Very high	91.9	Very high	87 Å²	87	52 Å²	52	57%	0.565	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	150.7	174	-24.5	34.8	0	0	0	112.2	A238	P236-A238 PolarHBondContact O-N 3.39Å
237	E	92	Very high	92.3	Very high	175 Å²	175	52 Å²	52	82%	0.818	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	-12.7	176.8	-53.8	177.8	177.7	0	0	116.1	I239	E237-I239 PolarHBondContact O-N 3Å
238	A	91.9	Very high	92.6	Very high	34 Å²	34	46.6 Å²	46.6	28%	0.281	26%	0.261	S	S	.	.	S	Bend	trans	-73	-5	179.2	0	0	0	0	0	114.9	I234 P235 P236 F400	I234-A238 HydrophobicContact CG2-CB 4.1Å; P235-A238 HydrophobicContact CG-CB 3.85Å; P235-A238 WeakPolarHBondContact O-CB 3.37Å; P235-A238 PolarHBondContact O-N 3.25Å; P236-A238 PolarHBondContact O-N 3.39Å; A238-F400 HydrophobicContact CB-CE1 4.1Å; A238-F400 HydrophobicContact CB-CZ 3.92Å
239	I	93.8	Very high	92.8	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	24%	0.239	C	C	.	.	S	Bend	trans	-135.3	149.5	161.8	64.2	165.7	0	0	0	110	F207 R215 I218 I234 E237 T243 V246 F400	F207-I239 HydrophobicContact CD1-CD1 3.86Å; F207-I239 HydrophobicContact CE1-CD1 3.61Å; R215-I239 HydrophobicContact CB-CD1 3.74Å; R215-I239 HydrophobicContact CB-CG1 3.92Å; R215-I239 HydrophobicContact CG-CD1 4.26Å; R215-I239 HydrophobicContact CG-CG1 4.15Å; I218-I239 HydrophobicContact CD1-CD1 4.39Å; I234-I239 HydrophobicContact CD1-CG2 4.28Å; I234-I239 HydrophobicContact CG2-CG1 4.32Å; I234-I239 HydrophobicContact CG2-CG2 4Å; E237-I239 PolarHBondContact O-N 3Å; I239-T243 HydrophobicContact CB-CG2 4.14Å; I239-T243 HydrophobicContact CG2-CG2 4.02Å; I239-V246 HydrophobicContact CG2-CG2 3.92Å; I239-F400 HydrophobicContact CG2-CE2 4.25Å
240	N	94.3	Very high	92.9	Very high	65 Å²	65	41.3 Å²	41.3	35%	0.348	23%	0.227	S	C	.	.			trans	-153.2	-173.9	-168.9	59.1	30.9	0	0	0	111.2	L242 T243	N240-L242 PolarHBondContact O-N 3.09Å; N240-L242 VanDerWaalsContact O-N 3.15Å; N240-L242 PolarHBondContact OD1-N 3.42Å; N240-L242 VanDerWaalsContact OD1-N 3.08Å; N240-T243 PolarHBondContact N-OG1 3.07Å; N240-T243 WeakPolarHBondContact O-CB 3.36Å; N240-T243 PolarHBondContact O-N 3.15Å; N240-T243 PolarHBondContact O-OG1 3.27Å; N240-T243 PolarHBondContact OD1-N 3.02Å; N240-T243 PolarHBondContact OD1-OG1 3.34Å
241	E	94.4	Very high	93.1	Very high	122 Å²	122	41.5 Å²	41.5	57%	0.57	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.2	-176.7	-54.6	78.7	-173.5	0	0	113.4	K208	K208-E241 WeakPolarHBondContact O-CG 3.39Å
242	L	93.3	Very high	93	Very high	131 Å²	131	39.1 Å²	39.1	69%	0.686	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	8	175.7	-55.7	179.4	0	0	0	112.9	N240 Y395	N240-L242 PolarHBondContact O-N 3.09Å; N240-L242 VanDerWaalsContact O-N 3.15Å; N240-L242 PolarHBondContact OD1-N 3.42Å; N240-L242 VanDerWaalsContact OD1-N 3.08Å; L242-Y395 PolarHBondContact O-OH 3.42Å
243	T	94.5	Very high	92.9	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.031	19%	0.189	C	C	.	.			trans	-82.2	124	178.1	-59.7	0	0	0	0	110.5	F207 I239 N240 V246	F207-T243 VanDerWaalsContact CB-O 3.22Å; F207-T243 WeakPolarHBondContact CB-O 3.35Å; F207-T243 HydrophobicContact CD1-CG2 4.21Å; F207-T243 HydrophobicContact CD2-CG2 3.86Å; F207-T243 WeakPolarHBondContact CD2-O 3.49Å; F207-T243 HydrophobicContact CE1-CG2 4.37Å; F207-T243 HydrophobicContact CE2-CG2 4.02Å; F207-T243 HydrophobicContact CG-CG2 3.97Å; F207-T243 HydrophobicContact CZ-CG2 4.28Å; I239-T243 HydrophobicContact CB-CG2 4.14Å; I239-T243 HydrophobicContact CG2-CG2 4.02Å; N240-T243 PolarHBondContact N-OG1 3.07Å; N240-T243 WeakPolarHBondContact O-CB 3.36Å; N240-T243 PolarHBondContact O-N 3.15Å; N240-T243 PolarHBondContact O-OG1 3.27Å; N240-T243 PolarHBondContact OD1-N 3.02Å; N240-T243 PolarHBondContact OD1-OG1 3.34Å; T243-V246 HydrophobicContact CG2-CG2 3.34Å
244	V	93.4	Very high	92.7	Very high	18 Å²	18	36.1 Å²	36.1	11%	0.109	20%	0.195	C	C	.	.			trans	-110.5	-43.7	-174.7	-175.4	0	0	0	0	111.5	G180 D181 L184 L394 Y395 S397	G180-V244 CarbonylContact C-O 3.11Å; G180-V244 WeakPolarHBondContact CA-O 3.45Å; D181-V244 PolarHBondContact N-O 3.44Å; L184-V244 HydrophobicContact CD1-CG1 3.84Å; V244-L394 HydrophobicContact CG1-CD1 3.81Å; V244-Y395 HydrophobicContact CB-CE1 4.2Å; V244-Y395 HydrophobicContact CG2-CD1 4.48Å; V244-Y395 HydrophobicContact CG2-CE1 3.63Å; V244-S397 PolarHBondContact N-OG 3.29Å
245	L	95	Very high	92.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	127.9	180	-177.2	67.9	0	0	0	110.8	L178 F179 L202 L383 L394 Y395 V396 S397	L178-L245 HydrophobicContact CB-CD1 4.26Å; L178-L245 HydrophobicContact CD2-CD1 4.15Å; L178-L245 HydrophobicContact CD2-CD2 4.31Å; F179-L245 CarbonylContact O-C 3.57Å; F179-L245 WeakPolarHBondContact O-CA 3.31Å; L202-L245 HydrophobicContact CD1-CD1 3.88Å; L245-L383 HydrophobicContact CD2-CD1 4.13Å; L245-L394 HydrophobicContact CB-CD1 3.73Å; L245-L394 HydrophobicContact CD2-CD1 3.91Å; L245-L394 HydrophobicContact CD2-CD2 4.27Å; L245-L394 HydrophobicContact CD2-CG 4.22Å; L245-L394 HydrophobicContact CG-CD1 4.3Å; L245-Y395 WeakPolarHBondContact CB-O 3.35Å; L245-V396 HydrophobicContact CD2-CG2 3.97Å; L245-S397 PolarHBondContact N-OG 2.77Å; L245-S397 PolarHBondContact O-N 3.49Å
246	V	95.8	Very high	92.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130	177.3	-176.2	0	0	0	0	109.8	L178 F179 F207 I234 I239 T243 V248 D398 F400	L178-V246 WeakPolarHBondContact CA-O 2.97Å; F179-V246 PolarHBondContact N-O 3.15Å; F179-V246 PolarHBondContact O-N 2.83Å; F207-V246 HydrophobicContact CZ-CG2 4.19Å; I234-V246 HydrophobicContact CD1-CG1 3.97Å; I239-V246 HydrophobicContact CG2-CG2 3.92Å; T243-V246 HydrophobicContact CG2-CG2 3.34Å; V246-V248 HydrophobicContact CG1-CG2 3.95Å; V246-D398 WeakPolarHBondContact CA-O 3.29Å; V246-F400 HydrophobicContact CG1-CD2 3.54Å; V246-F400 HydrophobicContact CG1-CE2 3.6Å
247	L	94.8	Very high	92.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125	169.8	-177.4	64.3	0	0	0	109.1	A118 F119 M121 L178 D398 A399 F400	A118-L247 HydrophobicContact CB-CD1 4.09Å; A118-L247 HydrophobicContact CB-CD2 3.95Å; A118-L247 HydrophobicContact CB-CG 4.24Å; F119-L247 HydrophobicContact CD1-CD2 4.36Å; F119-L247 HydrophobicContact CD2-CD2 3.71Å; F119-L247 HydrophobicContact CE1-CD2 4.2Å; F119-L247 HydrophobicContact CE2-CD2 3.5Å; F119-L247 HydrophobicContact CG-CD2 4.14Å; F119-L247 HydrophobicContact CZ-CD2 3.77Å; M121-L247 HydrophobicContact CE-CD1 3.7Å; L178-L247 HydrophobicContact CD1-CD1 3.8Å; L178-L247 HydrophobicContact CG-CD1 3.78Å; L247-D398 PolarHBondContact N-O 2.99Å; L247-D398 VanDerWaalsContact N-O 3.15Å; L247-A399 HydrophobicContact CB-CB 3.88Å; L247-A399 HydrophobicContact CD2-CB 4.24Å; L247-A399 HydrophobicContact CG-CB 4.48Å; L247-A399 CarbonylContact O-C 3.53Å; L247-A399 VanDerWaalsContact O-CA 3.31Å; L247-A399 WeakPolarHBondContact O-CA 3.24Å; L247-F400 PolarHBondContact O-N 3.04Å
248	V	94.1	Very high	92.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.5	179.2	-179.2	0	0	0	0	109.2	N176 R177 F179 I218 V222 V233 I234 V246 T250	N176-V248 WeakPolarHBondContact CA-O 3.3Å; R177-V248 PolarHBondContact N-O 3.46Å; R177-V248 PolarHBondContact O-N 3.49Å; F179-V248 HydrophobicContact CD2-CB 4.19Å; F179-V248 HydrophobicContact CD2-CG2 3.65Å; F179-V248 HydrophobicContact CE2-CB 3.91Å; F179-V248 HydrophobicContact CE2-CG2 3.75Å; I218-V248 HydrophobicContact CG2-CG1 4.32Å; I218-V248 HydrophobicContact CG2-CG2 3.81Å; V222-V248 HydrophobicContact CG2-CG1 3.79Å; V233-V248 HydrophobicContact CG1-CG1 4Å; V233-V248 HydrophobicContact CG2-CG1 4.08Å; I234-V248 HydrophobicContact CD1-CG2 4.18Å; V246-V248 HydrophobicContact CG1-CG2 3.95Å; V248-T250 HydrophobicContact CG1-CG2 4.32Å
249	N	91.8	Very high	92.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	112.9	-175.6	-172.6	-49.1	0	0	0	110.9	S114 V115 A118 N176 F400 H401 K402	S114-N249 VanDerWaalsContact CB-OD1 3.32Å; S114-N249 WeakPolarHBondContact CB-OD1 3.07Å; S114-N249 PolarHBondContact O-ND2 2.8Å; S114-N249 VanDerWaalsContact OG-CG 3.29Å; S114-N249 PolarHBondContact OG-ND2 3.47Å; S114-N249 VanDerWaalsContact OG-ND2 3.17Å; S114-N249 PolarHBondContact OG-OD1 3.49Å; V115-N249 PolarHBondContact N-ND2 2.94Å; A118-N249 HydrophobicContact CB-CB 4.43Å; A118-N249 WeakPolarHBondContact CB-ND2 3.2Å; N176-N249 VanDerWaalsContact OD1-CA 3.32Å; N176-N249 WeakPolarHBondContact OD1-CA 3.26Å; N176-N249 VanDerWaalsContact OD1-CG 3.3Å; N176-N249 PolarHBondContact OD1-OD1 3.18Å; N249-F400 PolarHBondContact N-O 3.24Å; N249-H401 CarbonylContact O-C 3.56Å; N249-H401 VanDerWaalsContact O-CA 3.29Å; N249-H401 WeakPolarHBondContact O-CA 3.03Å; N249-H401 PolarHBondContact O-ND1 3.22Å; N249-H401 VanDerWaalsContact O-ND1 3.14Å; N249-H401 PolarHBondContact OD1-CE1 3.08Å; N249-H401 PolarHBondContact OD1-ND1 3.42Å; N249-K402 PolarHBondContact O-N 2.99Å
250	T	89.9	Confident	92.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.6	-179.6	62.5	0	0	0	0	113	S174 A175 N176 V222 I230 V233 V248 K402	S174-T250 CarbonylContact C-O 3.5Å; S174-T250 WeakPolarHBondContact CA-O 3.46Å; S174-T250 WeakPolarHBondContact CB-O 3.17Å; S174-T250 PolarHBondContact OG-O 3.47Å; A175-T250 WeakPolarHBondContact CB-OG1 3.19Å; A175-T250 PolarHBondContact N-O 3.19Å; A175-T250 PolarHBondContact O-N 2.81Å; A175-T250 PolarHBondContact O-OG1 2.94Å; N176-T250 PolarHBondContact OD1-N 3.01Å; V222-T250 HydrophobicContact CG1-CG2 3.68Å; V222-T250 HydrophobicContact CG2-CG2 4.17Å; I230-T250 HydrophobicContact CG2-CG2 4.2Å; V233-T250 HydrophobicContact CB-CG2 3.99Å; V233-T250 HydrophobicContact CG1-CG2 4.35Å; V233-T250 HydrophobicContact CG2-CG2 3.67Å; V248-T250 HydrophobicContact CG1-CG2 4.32Å; T250-K402 VanDerWaalsContact CA-O 3.27Å; T250-K402 WeakPolarHBondContact CA-O 3.25Å; T250-K402 HydrophobicContact CG2-CB 4.12Å
251	I	90.4	Very high	92.7	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	128.3	-172.3	-169.5	167.9	0	0	0	112.7	L172 V173 K402 A403 F404 F454	L172-I251 HydrophobicContact CD1-CD1 4.01Å; L172-I251 HydrophobicContact CD1-CG1 3.86Å; V173-I251 CarbonylContact O-C 3.53Å; V173-I251 WeakPolarHBondContact O-CA 3.38Å; I251-K402 PolarHBondContact N-O 3.49Å; I251-A403 HydrophobicContact CG2-CB 3.97Å; I251-A403 CarbonylContact O-C 3.59Å; I251-A403 WeakPolarHBondContact O-CA 3.4Å; I251-F404 PolarHBondContact O-N 2.94Å; I251-F454 HydrophobicContact CB-CE1 4.37Å; I251-F454 HydrophobicContact CD1-CE1 3.75Å; I251-F454 HydrophobicContact CD1-CZ 3.54Å; I251-F454 HydrophobicContact CG1-CE1 3.73Å; I251-F454 HydrophobicContact CG1-CZ 3.65Å; I251-F454 HydrophobicContact CG2-CE1 3.87Å
252	Y	89.6	Confident	92.6	Very high	6 Å²	6	21.3 Å²	21.3	2%	0.024	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.8	177.6	167.1	-88	0	0	0	109.9	K171 L172 V173 R229 K254 F404 E406	K171-Y252 HydrophobicContact CB-CE1 4.3Å; K171-Y252 HydrophobicContact CD-CE1 4.48Å; K171-Y252 HydrophobicContact CG-CD1 4.48Å; K171-Y252 HydrophobicContact CG-CE1 4.09Å; L172-Y252 WeakPolarHBondContact CA-O 3.49Å; L172-Y252 WeakPolarHBondContact CD1-O 3.46Å; V173-Y252 PolarHBondContact N-O 3.33Å; V173-Y252 PolarHBondContact O-N 2.87Å; R229-Y252 HydrophobicContact CB-CD2 4.06Å; R229-Y252 HydrophobicContact CB-CE2 4.46Å; R229-Y252 HydrophobicContact CB-CG 4.49Å; R229-Y252 HydrophobicContact CG-CD2 4.44Å; R229-Y252 HydrophobicContact CG-CE2 4.43Å; Y252-K254 HydrophobicContact CE1-CB 3.82Å; Y252-K254 VanDerWaalsContact OH-CB 3.32Å; Y252-K254 WeakPolarHBondContact OH-CB 3.27Å; Y252-K254 WeakPolarHBondContact OH-CD 3.25Å; Y252-F404 HydrophobicContact CD2-CB 3.93Å; Y252-F404 AromaticContact CD2-CD1 3.32Å; Y252-F404 HydrophobicContact CD2-CD1 3.32Å; Y252-F404 HydrophobicContact CD2-CD2 4.38Å; Y252-F404 AromaticContact CD2-CE1 3.82Å; Y252-F404 HydrophobicContact CD2-CE1 3.82Å; Y252-F404 AromaticContact CD2-CG 3.66Å; Y252-F404 HydrophobicContact CD2-CG 3.66Å; Y252-F404 HydrophobicContact CD2-CZ 4.47Å; Y252-F404 AromaticContact CE2-CD1 3.47Å; Y252-F404 HydrophobicContact CE2-CD1 3.47Å; Y252-F404 VanDerWaalsContact CE2-CD1 3.47Å; Y252-F404 AromaticContact CE2-CE1 3.5Å; Y252-F404 HydrophobicContact CE2-CE1 3.5Å; Y252-F404 VanDerWaalsContact CE2-CE1 3.5Å; Y252-F404 HydrophobicContact CE2-CG 4.23Å; Y252-F404 HydrophobicContact CE2-CZ 4.22Å; Y252-E406 HydrophobicContact CE2-CB 4.47Å; Y252-E406 PolarHBondContact OH-OE2 3.05Å
253	F	88.3	Confident	92.7	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.4	171.8	-179.3	-84.4	0	0	0	112	S170 L172 G255 F306 F404 L405 E406 I444 F454	S170-F253 VanDerWaalsContact CB-CE2 3.48Å; S170-F253 VanDerWaalsContact OG-CE2 3.29Å; S170-F253 WeakPolarHBondContact OG-CE2 3.5Å; L172-F253 HydrophobicContact CD1-CB 4.45Å; L172-F253 HydrophobicContact CD1-CD2 4.32Å; F253-G255 VanDerWaalsContact CE1-N 3.28Å; F253-F306 HydrophobicContact CE1-CE1 4.25Å; F253-F306 AromaticContact CE1-CE2 3.81Å; F253-F306 HydrophobicContact CE1-CE2 3.81Å; F253-F306 AromaticContact CE1-CZ 3.66Å; F253-F306 HydrophobicContact CE1-CZ 3.66Å; F253-F306 AromaticContact CZ-CD2 3.94Å; F253-F306 HydrophobicContact CZ-CD2 3.94Å; F253-F306 HydrophobicContact CZ-CE1 4.48Å; F253-F306 AromaticContact CZ-CE2 3.63Å; F253-F306 HydrophobicContact CZ-CE2 3.63Å; F253-F306 HydrophobicContact CZ-CG 4.49Å; F253-F306 AromaticContact CZ-CZ 3.93Å; F253-F306 HydrophobicContact CZ-CZ 3.93Å; F253-F404 PolarHBondContact N-O 2.96Å; F253-L405 HydrophobicContact CD1-CD1 4Å; F253-E406 PolarHBondContact O-N 3.08Å; F253-E406 VanDerWaalsContact O-N 3.17Å; F253-I444 HydrophobicContact CD1-CD1 3.7Å; F253-I444 HydrophobicContact CE1-CD1 3.8Å; F253-I444 HydrophobicContact CE1-CG2 4.43Å; F253-I444 HydrophobicContact CE2-CG2 4.22Å; F253-I444 HydrophobicContact CG-CD1 4.29Å; F253-I444 HydrophobicContact CZ-CD1 4.47Å; F253-I444 HydrophobicContact CZ-CG2 4.04Å; F253-F454 HydrophobicContact CB-CD2 4.47Å; F253-F454 HydrophobicContact CB-CE1 4.17Å; F253-F454 HydrophobicContact CB-CE2 3.69Å; F253-F454 HydrophobicContact CB-CZ 3.52Å; F253-F454 AromaticContact CD2-CE2 3.74Å; F253-F454 HydrophobicContact CD2-CE2 3.74Å; F253-F454 HydrophobicContact CD2-CZ 4.33Å; F253-F454 AromaticContact CG-CE2 3.9Å; F253-F454 HydrophobicContact CG-CE2 3.9Å; F253-F454 HydrophobicContact CG-CZ 4.25Å
254	K	88.8	Confident	92.7	Very high	37 Å²	37	25.6 Å²	25.6	16%	0.161	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	109.1	165.1	178	178.7	-175.4	166	0	110	S170 K171 Y252 E406 N408 E410	S170-K254 CarbonylContact C-O 3.5Å; S170-K254 WeakPolarHBondContact CA-O 3.12Å; S170-K254 WeakPolarHBondContact CB-O 3.13Å; K171-K254 PolarHBondContact N-O 3.38Å; K171-K254 PolarHBondContact O-N 2.78Å; Y252-K254 HydrophobicContact CE1-CB 3.82Å; Y252-K254 VanDerWaalsContact OH-CB 3.32Å; Y252-K254 WeakPolarHBondContact OH-CB 3.27Å; Y252-K254 WeakPolarHBondContact OH-CD 3.25Å; K254-E406 HydrophobicContact CB-CB 4.11Å; K254-E406 HydrophobicContact CD-CB 4.34Å; K254-E406 HydrophobicContact CD-CG 4.37Å; K254-E406 VanDerWaalsContact CE-OE1 3.25Å; K254-E406 WeakPolarHBondContact CE-OE1 3.34Å; K254-E406 HydrophobicContact CG-CB 4.14Å; K254-E406 IonicContact NZ-OE1 2.71Å; K254-E406 PolarHBondContact NZ-OE1 2.97Å; K254-N408 WeakPolarHBondContact CE-ND2 3.23Å; K254-N408 PolarHBondContact NZ-ND2 2.94Å; K254-E410 WeakPolarHBondContact CE-OE2 3.43Å; K254-E410 IonicContact NZ-OE2 3.64Å; K254-E410 PolarHBondContact NZ-OE2 2.84Å
255	G	88.3	Confident	92.8	Very high	5 Å²	5	28.2 Å²	28.2	5%	0.052	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	151.8	179.4	0	0	0	0	0	113.2	F253	F253-G255 VanDerWaalsContact CE1-N 3.28Å
256	L	92.4	Very high	92.8	Very high	62 Å²	62	29.7 Å²	29.7	33%	0.325	16%	0.155	S	C	.	.			trans	-104.4	119.6	165.7	-64.7	176.1	0	0	0	108.3	S169 F306 K307 E410	S169-L256 WeakPolarHBondContact O-CB 3.32Å; S169-L256 PolarHBondContact O-N 2.58Å; L256-F306 CarbonylContact O-C 3.58Å; L256-F306 WeakPolarHBondContact O-CA 3.27Å; L256-F306 WeakPolarHBondContact O-CB 3.25Å; L256-K307 HydrophobicContact CB-CB 4.47Å; L256-K307 PolarHBondContact O-N 3.03Å; L256-E410 HydrophobicContact CD2-CB 3.9Å
257	W	95	Very high	92.9	Very high	6 Å²	6	36.5 Å²	36.5	2%	0.023	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-61.2	150.8	-177.3	-59.8	113.7	0	0	0	112.8	S259 F261 L304 F306 M313 M352 V407 N408 E410 G411 S412	W257-S259 VanDerWaalsContact CB-O 3.32Å; W257-S259 WeakPolarHBondContact CB-O 3.33Å; W257-F261 AromaticContact CD1-CD2 3.89Å; W257-F261 HydrophobicContact CD2-CE2 4.43Å; W257-F261 HydrophobicContact CZ2-CE2 4.45Å; W257-F261 AromaticContact NE1-CD2 3.81Å; W257-F261 AromaticContact NE1-CE2 3.82Å; W257-L304 HydrophobicContact CE3-CB 4.02Å; W257-L304 HydrophobicContact CH2-CB 4.26Å; W257-L304 HydrophobicContact CH2-CD1 4.18Å; W257-L304 HydrophobicContact CZ3-CB 3.52Å; W257-L304 HydrophobicContact CZ3-CD1 4.2Å; W257-F306 HydrophobicContact CD2-CD1 4.24Å; W257-F306 AromaticContact CD2-CE1 3.97Å; W257-F306 HydrophobicContact CD2-CE1 3.97Å; W257-F306 AromaticContact CE3-CD1 3.67Å; W257-F306 HydrophobicContact CE3-CD1 3.67Å; W257-F306 AromaticContact CE3-CE1 3.45Å; W257-F306 HydrophobicContact CE3-CE1 3.45Å; W257-F306 VanDerWaalsContact CE3-CE1 3.45Å; W257-F306 HydrophobicContact CE3-CZ 4.24Å; W257-F306 AromaticContact CH2-CE1 3.64Å; W257-F306 HydrophobicContact CH2-CE1 3.64Å; W257-F306 AromaticContact CH2-CZ 3.83Å; W257-F306 HydrophobicContact CH2-CZ 3.83Å; W257-F306 HydrophobicContact CZ2-CE1 4.13Å; W257-F306 AromaticContact CZ3-CD1 3.89Å; W257-F306 HydrophobicContact CZ3-CD1 3.89Å; W257-F306 AromaticContact CZ3-CE1 3.26Å; W257-F306 HydrophobicContact CZ3-CE1 3.26Å; W257-F306 HydrophobicContact CZ3-CE2 4.44Å; W257-F306 AromaticContact CZ3-CZ 3.59Å; W257-F306 HydrophobicContact CZ3-CZ 3.59Å; W257-M313 HydrophobicContact CH2-CB 4.09Å; W257-M313 HydrophobicContact CH2-SD 3.88Å; W257-M313 HydrophobicContact CZ3-CB 4.06Å; W257-M352 HydrophobicContact CZ2-SD 4.44Å; W257-V407 HydrophobicContact CZ2-CG1 4.13Å; W257-N408 PolarHBondContact NE1-O 3.37Å; W257-E410 PolarHBondContact N-O 3.31Å; W257-G411 CarbonylContact O-C 3.57Å; W257-G411 VanDerWaalsContact O-CA 3.26Å; W257-G411 WeakPolarHBondContact O-CA 3.47Å; W257-S412 PolarHBondContact O-N 2.76Å
258	K	93.8	Very high	93	Very high	75 Å²	75	41.6 Å²	41.6	33%	0.326	21%	0.206	S	C	.	.	S	Bend	trans	-70.8	-36.6	166.6	173.4	168.5	167.3	173.6	0	111.6	P305 D309 S412 A415	K258-P305 HydrophobicContact CB-CB 4.19Å; K258-P305 HydrophobicContact CB-CG 4.08Å; K258-P305 VanDerWaalsContact CB-O 3.32Å; K258-P305 WeakPolarHBondContact CB-O 3.32Å; K258-P305 HydrophobicContact CD-CB 4.26Å; K258-P305 HydrophobicContact CD-CG 4.05Å; K258-P305 PolarHBondContact N-O 3.34Å; K258-D309 WeakPolarHBondContact CD-OD1 3.29Å; K258-D309 WeakPolarHBondContact CD-OD2 3.27Å; K258-D309 WeakPolarHBondContact CE-OD1 3.36Å; K258-D309 IonicContact NZ-OD1 2.72Å; K258-D309 PolarHBondContact NZ-OD1 3.31Å; K258-D309 IonicContact NZ-OD2 2.73Å; K258-D309 PolarHBondContact NZ-OD2 2.84Å; K258-S412 WeakPolarHBondContact O-CB 3.43Å; K258-A415 HydrophobicContact CG-CB 4.41Å; K258-A415 VanDerWaalsContact O-CB 3.3Å; K258-A415 WeakPolarHBondContact O-CB 3.37Å
259	S	93.9	Very high	93.2	Very high	17 Å²	17	42.2 Å²	42.2	12%	0.119	21%	0.209	C	C	.	.	S	Bend	trans	-117	103.9	168.9	-173.2	0	0	0	0	108.6	W257 Q286	W257-S259 VanDerWaalsContact CB-O 3.32Å; W257-S259 WeakPolarHBondContact CB-O 3.33Å; S259-Q286 PolarHBondContact O-NE2 3.1Å; S259-Q286 PolarHBondContact O-OE1 3.16Å; S259-Q286 PolarHBondContact OG-OE1 2.81Å
260	K	93.9	Very high	93.5	Very high	41 Å²	41	44.8 Å²	44.8	18%	0.178	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-59.8	149.8	179.1	74.4	174.3	-173.6	177.1	0	111.4	S412 E413	K260-S412 PolarHBondContact N-O 3.43Å; K260-E413 HydrophobicContact CD-CB 4.08Å; K260-E413 VanDerWaalsContact CE-CD 3.45Å; K260-E413 VanDerWaalsContact CE-OE1 3.3Å; K260-E413 WeakPolarHBondContact CE-OE1 3.3Å; K260-E413 IonicContact NZ-OE1 2.78Å; K260-E413 PolarHBondContact NZ-OE1 2.97Å; K260-E413 IonicContact NZ-OE2 2.74Å; K260-E413 PolarHBondContact NZ-OE2 3.1Å
261	F	94.6	Very high	93.9	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-77.1	148.3	160.9	-64.7	-97.2	0	0	0	108.2	W257 P263 M284 Q286 L304 V350 M352 E409	W257-F261 AromaticContact CD1-CD2 3.89Å; W257-F261 HydrophobicContact CD2-CE2 4.43Å; W257-F261 HydrophobicContact CZ2-CE2 4.45Å; W257-F261 AromaticContact NE1-CD2 3.81Å; W257-F261 AromaticContact NE1-CE2 3.82Å; F261-P263 WeakPolarHBondContact O-CD 3.38Å; F261-M284 HydrophobicContact CB-CB 4.1Å; F261-M284 HydrophobicContact CB-SD 4.33Å; F261-M284 HydrophobicContact CD1-CB 3.54Å; F261-M284 HydrophobicContact CD2-CB 4.5Å; F261-M284 HydrophobicContact CD2-CE 3.95Å; F261-M284 HydrophobicContact CD2-SD 4.02Å; F261-M284 HydrophobicContact CE1-CB 4.03Å; F261-M284 HydrophobicContact CE2-CE 3.85Å; F261-M284 HydrophobicContact CG-CB 3.81Å; F261-M284 HydrophobicContact CG-CE 4.38Å; F261-M284 HydrophobicContact CG-SD 4.11Å; F261-M284 HydrophobicContact CZ-CE 4.18Å; F261-Q286 HydrophobicContact CD1-CB 3.93Å; F261-Q286 HydrophobicContact CD1-CG 3.75Å; F261-Q286 HydrophobicContact CE1-CB 4.29Å; F261-Q286 HydrophobicContact CE1-CG 3.66Å; F261-Q286 HydrophobicContact CG-CG 4.47Å; F261-Q286 HydrophobicContact CZ-CG 4.31Å; F261-L304 HydrophobicContact CZ-CD1 4.39Å; F261-V350 HydrophobicContact CE1-CG1 4.26Å; F261-V350 HydrophobicContact CZ-CG1 4.26Å; F261-M352 HydrophobicContact CZ-CB 4.24Å; F261-M352 HydrophobicContact CZ-SD 4.41Å; F261-E409 HydrophobicContact CB-CB 4.08Å; F261-E409 HydrophobicContact CB-CG 4.1Å; F261-E409 PolarHBondContact N-O 3.23Å; F261-E409 VanDerWaalsContact N-O 3.17Å
262	S	94	Very high	94.2	Very high	34 Å²	34	50.1 Å²	50.1	24%	0.238	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-87.2	119	173.8	-56.7	0	0	0	0	108.4	E264 N265	S262-E264 VanDerWaalsContact CB-OE2 3.31Å; S262-E264 WeakPolarHBondContact CB-OE2 3.5Å; S262-E264 PolarHBondContact O-N 2.95Å; S262-E264 VanDerWaalsContact O-N 3.11Å; S262-N265 WeakPolarHBondContact O-CB 3.34Å; S262-N265 PolarHBondContact O-N 3.36Å
263	P	94	Very high	94.4	Very high	70 Å²	70	51.5 Å²	51.5	46%	0.455	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.8	179.5	-26.2	35.8	0	0	0	113.7	F261 N265 T266 E409	F261-P263 WeakPolarHBondContact O-CD 3.38Å; P263-N265 PolarHBondContact O-N 3.36Å; P263-T266 WeakPolarHBondContact O-CB 3.34Å; P263-T266 PolarHBondContact O-N 3.35Å; P263-T266 VanDerWaalsContact O-N 3.09Å; P263-E409 HydrophobicContact CG-CB 4.19Å; P263-E409 HydrophobicContact CG-CG 4.33Å
264	E	94.5	Very high	94.4	Very high	156 Å²	156	54.3 Å²	54.3	73%	0.729	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-65.5	-21.3	175.9	-53.8	73	-158.6	0	0	112.6	S262	S262-E264 VanDerWaalsContact CB-OE2 3.31Å; S262-E264 WeakPolarHBondContact CB-OE2 3.5Å; S262-E264 PolarHBondContact O-N 2.95Å; S262-E264 VanDerWaalsContact O-N 3.11Å
265	N	94.9	Very high	94.4	Very high	73 Å²	73	55 Å²	55	39%	0.39	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-95.9	-9.4	174.7	-64.6	-27.2	0	0	0	112.9	S262 P263 Y285	S262-N265 WeakPolarHBondContact O-CB 3.34Å; S262-N265 PolarHBondContact O-N 3.36Å; P263-N265 PolarHBondContact O-N 3.36Å; N265-Y285 HydrophobicContact CB-CD1 4.28Å
266	T	96.3	Very high	94.3	Very high	32 Å²	32	58.1 Å²	58.1	20%	0.196	31%	0.313	C	S	.	.			trans	-72.3	127.1	175.5	-64.1	0	0	0	0	109.8	P263 M283 E409	P263-T266 WeakPolarHBondContact O-CB 3.34Å; P263-T266 PolarHBondContact O-N 3.35Å; P263-T266 VanDerWaalsContact O-N 3.09Å; T266-M283 WeakPolarHBondContact CA-O 3.34Å; T266-E409 WeakPolarHBondContact CB-OE1 3.33Å; T266-E409 WeakPolarHBondContact CG2-OE1 3.42Å; T266-E409 WeakPolarHBondContact OG1-CG 3.21Å; T266-E409 PolarHBondContact OG1-OE1 3.34Å
267	R	96.8	Very high	94.4	Very high	143 Å²	143	61 Å²	61	54%	0.54	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.4	179.3	66.7	-177	-176.4	-164.1	-3.5	112	E269 M283	R267-E269 HydrophobicContact CG-CG 4.11Å; R267-E269 IonicContact CZ-OE1 3.18Å; R267-E269 IonicContact NE-OE1 2.78Å; R267-E269 PolarHBondContact NE-OE1 3.45Å; R267-E269 IonicContact NH2-OE1 2.71Å; R267-E269 PolarHBondContact NH2-OE1 3.25Å; R267-E269 PolarHBondContact O-N 3.29Å; R267-M283 PolarHBondContact N-O 3.08Å; R267-M283 WeakPolarHBondContact O-CB 3.28Å; R267-M283 PolarHBondContact O-N 2.93Å
268	M	97.8	Very high	94.4	Very high	109 Å²	109	64 Å²	64	54%	0.537	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.3	174.6	-59.7	-53	-66.1	0	0	110.6	S280 A281 S282	M268-S280 WeakPolarHBondContact CE-O 3.11Å; M268-S280 WeakPolarHBondContact CE-OG 3.41Å; M268-A281 WeakPolarHBondContact CA-O 3.4Å; M268-S282 PolarHBondContact SD-OG 2.68Å
269	E	97.8	Very high	94.5	Very high	14 Å²	14	61.7 Å²	61.7	7%	0.065	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.1	173.3	-68.3	-162.3	-163.2	0	0	111.3	R267 F271 A281 M283 H351 K435	R267-E269 HydrophobicContact CG-CG 4.11Å; R267-E269 IonicContact CZ-OE1 3.18Å; R267-E269 IonicContact NE-OE1 2.78Å; R267-E269 PolarHBondContact NE-OE1 3.45Å; R267-E269 IonicContact NH2-OE1 2.71Å; R267-E269 PolarHBondContact NH2-OE1 3.25Å; R267-E269 PolarHBondContact O-N 3.29Å; E269-F271 PolarHBondContact O-N 2.99Å; E269-A281 PolarHBondContact N-O 3.37Å; E269-A281 PolarHBondContact O-N 3.12Å; E269-M283 HydrophobicContact CB-CB 3.82Å; E269-M283 HydrophobicContact CB-CG 4.26Å; E269-M283 HydrophobicContact CG-CB 3.87Å; E269-M283 HydrophobicContact CG-CG 4.24Å; E269-H351 IonicContact OE1-CD2 2.7Å; E269-K435 WeakPolarHBondContact OE2-CE 3.2Å; E269-K435 IonicContact OE2-NZ 2.79Å; E269-K435 PolarHBondContact OE2-NZ 3.11Å
270	P	97.8	Very high	94.7	Very high	55 Å²	55	64.6 Å²	64.6	36%	0.357	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	125.6	172.8	28.2	-34.4	0	0	0	111.4	Y272	P270-Y272 HydrophobicContact CB-CE1 4.35Å; P270-Y272 HydrophobicContact CG-CE2 4.45Å
271	F	98.1	Very high	94.8	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.4	162.7	-174	-80.9	0	0	0	108.7	E269 K273 S278 C279 A281 P353 A436 N437 P439 F440 A459 P461	E269-F271 PolarHBondContact O-N 2.99Å; F271-K273 HydrophobicContact CD1-CG 4.43Å; F271-S278 CarbonylContact O-C 3.56Å; F271-S278 WeakPolarHBondContact O-CA 3.42Å; F271-S278 WeakPolarHBondContact O-CB 3.23Å; F271-C279 PolarHBondContact N-O 3.04Å; F271-C279 PolarHBondContact O-N 3.5Å; F271-A281 HydrophobicContact CB-CB 4.02Å; F271-P353 HydrophobicContact CD2-CG 4.45Å; F271-P353 HydrophobicContact CE2-CG 4.42Å; F271-A436 WeakPolarHBondContact CE2-O 3.33Å; F271-N437 CarbonylContact C-O 3.43Å; F271-N437 WeakPolarHBondContact CA-O 3.29Å; F271-N437 VanDerWaalsContact CD2-C 3.46Å; F271-P439 HydrophobicContact CE1-CG 4.42Å; F271-F440 HydrophobicContact CE2-CD1 4.32Å; F271-F440 HydrophobicContact CE2-CE1 4.05Å; F271-A459 WeakPolarHBondContact CE1-O 3.4Å; F271-P461 HydrophobicContact CB-CG 4.2Å; F271-P461 VanDerWaalsContact CD1-CD 3.5Å; F271-P461 HydrophobicContact CD1-CG 4.02Å; F271-P461 HydrophobicContact CD2-CG 3.49Å; F271-P461 VanDerWaalsContact CD2-CG 3.49Å; F271-P461 VanDerWaalsContact CE1-CD 3.46Å; F271-P461 HydrophobicContact CE1-CG 4.25Å; F271-P461 HydrophobicContact CE2-CG 3.75Å; F271-P461 HydrophobicContact CG-CG 3.63Å; F271-P461 HydrophobicContact CZ-CG 4.11Å
272	Y	96.9	Very high	94.9	Very high	116 Å²	116	64.8 Å²	64.8	46%	0.455	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.7	-178.7	-57.4	-75.7	0	0	0	109.8	P270 N437 R438 P439	P270-Y272 HydrophobicContact CB-CE1 4.35Å; P270-Y272 HydrophobicContact CG-CE2 4.45Å; Y272-N437 WeakPolarHBondContact CD2-O 3.4Å; Y272-N437 VanDerWaalsContact CE2-ND2 3.34Å; Y272-N437 WeakPolarHBondContact CE2-ND2 3.31Å; Y272-N437 PolarHBondContact N-O 2.72Å; Y272-R438 WeakPolarHBondContact O-CA 3.46Å; Y272-P439 WeakPolarHBondContact O-CD 3.43Å
273	K	94.6	Very high	95.1	Very high	34 Å²	34	63.2 Å²	63.2	15%	0.148	36%	0.356	C	S	.	.			trans	-74.3	165.3	-176.8	-70.1	-172.4	-66.7	119.5	0	111.9	F271 D275 G276 E277 N460	F271-K273 HydrophobicContact CD1-CG 4.43Å; K273-D275 WeakPolarHBondContact CB-OD1 3.18Å; K273-D275 WeakPolarHBondContact CE-OD1 3.42Å; K273-D275 IonicContact NZ-OD1 2.72Å; K273-D275 PolarHBondContact NZ-OD1 2.62Å; K273-D275 IonicContact NZ-OD2 3.84Å; K273-D275 PolarHBondContact NZ-OD2 3.03Å; K273-D275 PolarHBondContact O-N 3.22Å; K273-D275 VanDerWaalsContact O-N 3.12Å; K273-G276 PolarHBondContact O-N 2.79Å; K273-G276 VanDerWaalsContact O-N 3.08Å; K273-E277 WeakPolarHBondContact CE-OE2 3.48Å; K273-E277 PolarHBondContact N-O 3.09Å; K273-E277 IonicContact NZ-OE2 2.99Å; K273-E277 PolarHBondContact NZ-OE2 2.7Å; K273-N460 HydrophobicContact CD-CB 4.46Å
274	A	88.7	Confident	95.3	Very high	61 Å²	61	59.9 Å²	59.9	50%	0.504	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.8	176.4	0	0	0	0	0	114.2	P439	A274-P439 HydrophobicContact CB-CG 4.12Å
275	D	87.3	Confident	95.4	Very high	52 Å²	52	54.8 Å²	54.8	28%	0.278	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6.3	178	55.6	14.9	0	0	0	114.9	K105 K273 E277	K105-D275 HydrophobicContact CD-CB 4.15Å; K105-D275 HydrophobicContact CG-CB 4.4Å; K105-D275 IonicContact NZ-OD2 2.63Å; K105-D275 PolarHBondContact NZ-OD2 3.07Å; K105-D275 VanDerWaalsContact NZ-OD2 3.13Å; K273-D275 WeakPolarHBondContact CB-OD1 3.18Å; K273-D275 WeakPolarHBondContact CE-OD1 3.42Å; K273-D275 IonicContact NZ-OD1 2.72Å; K273-D275 PolarHBondContact NZ-OD1 2.62Å; K273-D275 IonicContact NZ-OD2 3.84Å; K273-D275 PolarHBondContact NZ-OD2 3.03Å; K273-D275 PolarHBondContact O-N 3.22Å; K273-D275 VanDerWaalsContact O-N 3.12Å; D275-E277 PolarHBondContact O-N 2.72Å; D275-E277 PolarHBondContact OD1-N 3.44Å
276	G	88.1	Confident	95.4	Very high	69 Å²	69	51.9 Å²	51.9	71%	0.711	29%	0.293	S	S	*	.	S	Bend	trans	81.8	-9.1	178.5	0	0	0	0	0	114.8	K273	K273-G276 PolarHBondContact O-N 2.79Å; K273-G276 VanDerWaalsContact O-N 3.08Å
277	E	93.9	Very high	95.3	Very high	122 Å²	122	54.2 Å²	54.2	57%	0.57	30%	0.302	S	S	*	.			trans	-71.5	169	166.6	-62.8	179.5	177.9	0	0	110.9	K273 D275	K273-E277 WeakPolarHBondContact CE-OE2 3.48Å; K273-E277 PolarHBondContact N-O 3.09Å; K273-E277 IonicContact NZ-OE2 2.99Å; K273-E277 PolarHBondContact NZ-OE2 2.7Å; D275-E277 PolarHBondContact O-N 2.72Å; D275-E277 PolarHBondContact OD1-N 3.44Å
278	S	95.3	Very high	95	Very high	70 Å²	70	47.6 Å²	47.6	49%	0.49	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148	170.3	66.8	0	0	0	0	112	F271	F271-S278 CarbonylContact O-C 3.56Å; F271-S278 WeakPolarHBondContact O-CA 3.42Å; F271-S278 WeakPolarHBondContact O-CB 3.23Å
279	C	95.8	Very high	94.8	Very high	27 Å²	27	48.7 Å²	48.7	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155	172.6	66.4	0	0	0	0	110.1	F271 A281 C462	F271-C279 PolarHBondContact N-O 3.04Å; F271-C279 PolarHBondContact O-N 3.5Å; C279-A281 PolarHBondContact O-N 2.9Å; C279-C462 HydrophobicContact CB-CB 3.66Å; C279-C462 WeakPolarHBondContact CB-SG 3.47Å; C279-C462 WeakPolarHBondContact SG-CB 2.86Å; C279-C462 CovalentContact SG-SG 2.04Å; C279-C462 PolarHBondContact SG-SG 3.37Å
280	S	96.8	Very high	94.8	Very high	77 Å²	77	48.5 Å²	48.5	54%	0.538	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	109.4	178.8	-156.7	0	0	0	0	109.3	M268	M268-S280 WeakPolarHBondContact CE-O 3.11Å; M268-S280 WeakPolarHBondContact CE-OG 3.41Å
281	A	97	Very high	94.8	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.9	179.7	0	0	0	0	0	110.5	M268 E269 F271 C279 M283 P353 P461	M268-A281 WeakPolarHBondContact CA-O 3.4Å; E269-A281 PolarHBondContact N-O 3.37Å; E269-A281 PolarHBondContact O-N 3.12Å; F271-A281 HydrophobicContact CB-CB 4.02Å; C279-A281 PolarHBondContact O-N 2.9Å; A281-M283 PolarHBondContact O-N 3.22Å; A281-M283 VanDerWaalsContact O-N 3.1Å; A281-P353 HydrophobicContact CB-CB 4.33Å; A281-P461 HydrophobicContact CB-CG 4.13Å
282	S	97.4	Very high	94.8	Very high	44 Å²	44	50 Å²	50	31%	0.308	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	105	166	-63.6	0	0	0	0	109.1	M268 P353 R354	M268-S282 PolarHBondContact SD-OG 2.68Å; S282-P353 WeakPolarHBondContact O-CA 3.14Å; S282-R354 VanDerWaalsContact CB-CG 3.48Å; S282-R354 WeakPolarHBondContact O-CG 3.15Å; S282-R354 PolarHBondContact O-N 2.93Å
283	M	98.2	Very high	94.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.1	-177	-168.6	65.4	55.2	0	0	109.4	T266 R267 E269 A281 H351 M352 P353 N437	T266-M283 WeakPolarHBondContact CA-O 3.34Å; R267-M283 PolarHBondContact N-O 3.08Å; R267-M283 WeakPolarHBondContact O-CB 3.28Å; R267-M283 PolarHBondContact O-N 2.93Å; E269-M283 HydrophobicContact CB-CB 3.82Å; E269-M283 HydrophobicContact CB-CG 4.26Å; E269-M283 HydrophobicContact CG-CB 3.87Å; E269-M283 HydrophobicContact CG-CG 4.24Å; A281-M283 PolarHBondContact O-N 3.22Å; A281-M283 VanDerWaalsContact O-N 3.1Å; M283-H351 HydrophobicContact CG-CB 3.95Å; M283-H351 HydrophobicContact SD-CB 3.87Å; M283-M352 PolarHBondContact SD-N 2.88Å; M283-P353 HydrophobicContact CE-CB 4.24Å; M283-N437 HydrophobicContact CE-CB 3.94Å
284	M	97.9	Very high	94.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	146.8	172.4	-48.5	-177.5	-67.9	0	0	109.7	F261 H351 M352 R354 V407 E409	F261-M284 HydrophobicContact CB-CB 4.1Å; F261-M284 HydrophobicContact CB-SD 4.33Å; F261-M284 HydrophobicContact CD1-CB 3.54Å; F261-M284 HydrophobicContact CD2-CB 4.5Å; F261-M284 HydrophobicContact CD2-CE 3.95Å; F261-M284 HydrophobicContact CD2-SD 4.02Å; F261-M284 HydrophobicContact CE1-CB 4.03Å; F261-M284 HydrophobicContact CE2-CE 3.85Å; F261-M284 HydrophobicContact CG-CB 3.81Å; F261-M284 HydrophobicContact CG-CE 4.38Å; F261-M284 HydrophobicContact CG-SD 4.11Å; F261-M284 HydrophobicContact CZ-CE 4.18Å; M284-H351 WeakPolarHBondContact O-CA 3.22Å; M284-M352 WeakPolarHBondContact CA-O 3.38Å; M284-M352 VanDerWaalsContact CB-O 3.29Å; M284-M352 WeakPolarHBondContact CB-O 3.15Å; M284-M352 HydrophobicContact CE-CB 4.23Å; M284-M352 HydrophobicContact CE-CG 4.2Å; M284-M352 HydrophobicContact CE-SD 4.19Å; M284-M352 PolarHBondContact N-O 2.91Å; M284-M352 PolarHBondContact O-N 3.37Å; M284-R354 HydrophobicContact CE-CB 4.46Å; M284-R354 HydrophobicContact CG-CB 4.04Å; M284-R354 HydrophobicContact CG-CG 4.45Å; M284-R354 HydrophobicContact SD-CB 3.9Å; M284-V407 HydrophobicContact CE-CG1 3.84Å; M284-E409 HydrophobicContact CG-CG 4.08Å; M284-E409 HydrophobicContact SD-CB 4.38Å; M284-E409 HydrophobicContact SD-CG 3.78Å
285	Y	96.6	Very high	95	Very high	48 Å²	48	49.6 Å²	49.6	19%	0.188	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.5	178.8	174.3	-74.9	0	0	0	111.2	N265 E287 V349 V350 H351 R431	N265-Y285 HydrophobicContact CB-CD1 4.28Å; Y285-E287 PolarHBondContact OH-OE2 2.87Å; Y285-V349 HydrophobicContact CD2-CG1 4.07Å; Y285-V349 HydrophobicContact CE2-CG1 3.29Å; Y285-V350 WeakPolarHBondContact CA-O 3.31Å; Y285-H351 AromaticContact CD2-CD2 3.91Å; Y285-H351 AromaticContact CD2-CE1 3.81Å; Y285-H351 AromaticContact CD2-NE2 3.68Å; Y285-H351 AromaticContact CE2-CE1 3.79Å; Y285-H351 AromaticContact CE2-NE2 3.91Å; Y285-R431 PolarHBondContact OH-NH1 3.02Å
286	Q	94.4	Very high	94.9	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	162.2	161.8	72.7	178.5	-71.2	0	0	111.6	S259 F261 F290 V350	S259-Q286 PolarHBondContact O-NE2 3.1Å; S259-Q286 PolarHBondContact O-OE1 3.16Å; S259-Q286 PolarHBondContact OG-OE1 2.81Å; F261-Q286 HydrophobicContact CD1-CB 3.93Å; F261-Q286 HydrophobicContact CD1-CG 3.75Å; F261-Q286 HydrophobicContact CE1-CB 4.29Å; F261-Q286 HydrophobicContact CE1-CG 3.66Å; F261-Q286 HydrophobicContact CG-CG 4.47Å; F261-Q286 HydrophobicContact CZ-CG 4.31Å; Q286-F290 HydrophobicContact CG-CE2 4.37Å; Q286-F290 HydrophobicContact CG-CZ 4.27Å; Q286-V350 PolarHBondContact N-O 2.96Å; Q286-V350 VanDerWaalsContact N-O 3.08Å; Q286-V350 PolarHBondContact O-N 3Å
287	E	93.5	Very high	94.8	Very high	81 Å²	81	52.6 Å²	52.6	38%	0.379	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.1	174.8	-177.8	163.1	-177.9	0	0	108	Y285 M347 V349 R431	Y285-E287 PolarHBondContact OH-OE2 2.87Å; E287-M347 HydrophobicContact CG-CE 4.21Å; E287-V349 HydrophobicContact CB-CG2 4.39Å; E287-V349 HydrophobicContact CG-CG2 3.95Å; E287-R431 IonicContact OE2-NH1 3.91Å; E287-R431 PolarHBondContact OE2-NH1 2.96Å; E287-R431 VanDerWaalsContact OE2-NH1 3.15Å
288	G	90.9	Very high	94.5	Very high	5 Å²	5	47.7 Å²	47.7	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	-174.8	-169.5	0	0	0	0	0	113.1	M347 L348	G288-M347 WeakPolarHBondContact O-CA 3.42Å; G288-L348 PolarHBondContact N-O 3.4Å; G288-L348 VanDerWaalsContact N-O 3.12Å; G288-L348 PolarHBondContact O-N 3.38Å
289	K	94.4	Very high	94.6	Very high	131 Å²	131	44.5 Å²	44.5	57%	0.57	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.8	178	-64.3	-163.3	-173.1	-177.4	0	111.7	E345 M346 M347	K289-E345 HydrophobicContact CB-CG 4Å; K289-E345 HydrophobicContact CD-CG 4.32Å; K289-E345 WeakPolarHBondContact CD-OE1 3.23Å; K289-E345 IonicContact NZ-OE1 2.61Å; K289-M346 WeakPolarHBondContact CA-O 3.38Å; K289-M347 HydrophobicContact CB-SD 4.47Å; K289-M347 HydrophobicContact CD-SD 4.49Å; K289-M347 HydrophobicContact CG-CG 4.04Å; K289-M347 HydrophobicContact CG-SD 3.4Å; K289-M347 WeakPolarHBondContact CG-SD 3.25Å
290	F	96.4	Very high	94.7	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.2	176.8	-58.2	-75.6	0	0	0	110	Q286 L302 L304 E345 M346 L348 V350	Q286-F290 HydrophobicContact CG-CE2 4.37Å; Q286-F290 HydrophobicContact CG-CZ 4.27Å; F290-L302 HydrophobicContact CB-CD1 3.59Å; F290-L302 HydrophobicContact CG-CD1 4.28Å; F290-L304 HydrophobicContact CD1-CD2 3.5Å; F290-L304 VanDerWaalsContact CD1-CD2 3.5Å; F290-L304 HydrophobicContact CD2-CD2 4.31Å; F290-L304 HydrophobicContact CE1-CD2 3.69Å; F290-L304 HydrophobicContact CE2-CD2 4.47Å; F290-L304 HydrophobicContact CG-CD2 3.84Å; F290-L304 HydrophobicContact CZ-CD2 4.19Å; F290-E345 WeakPolarHBondContact O-CA 3.41Å; F290-M346 PolarHBondContact N-O 3.45Å; F290-M346 VanDerWaalsContact N-O 3.12Å; F290-M346 PolarHBondContact O-N 2.97Å; F290-L348 HydrophobicContact CB-CD2 4.08Å; F290-L348 HydrophobicContact CD2-CD2 4.37Å; F290-V350 HydrophobicContact CD2-CG2 3.91Å; F290-V350 HydrophobicContact CE2-CG2 3.98Å
291	R	97.5	Very high	94.7	Very high	73 Å²	73	40.1 Å²	40.1	28%	0.275	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.1	172.6	-50	-156.9	-52.8	130.9	2.1	109.5	E303 L340 L343 E344	R291-E303 HydrophobicContact CB-CB 4.34Å; R291-E303 IonicContact CZ-OE2 3.16Å; R291-E303 IonicContact NE-OE2 2.68Å; R291-E303 PolarHBondContact NE-OE2 2.91Å; R291-E303 IonicContact NH2-OE1 3.95Å; R291-E303 IonicContact NH2-OE2 2.93Å; R291-E303 PolarHBondContact NH2-OE2 3.45Å; R291-E303 PolarHBondContact O-N 3.03Å; R291-L340 PolarHBondContact NH1-O 3.06Å; R291-L340 PolarHBondContact NH2-O 3.47Å; R291-L343 HydrophobicContact CB-CB 3.76Å; R291-L343 PolarHBondContact NH1-O 3.23Å; R291-E344 CarbonylContact C-O 3.57Å; R291-E344 VanDerWaalsContact CA-O 3.29Å; R291-E344 WeakPolarHBondContact CA-O 3.45Å
292	Y	98.1	Very high	94.8	Very high	13 Å²	13	40 Å²	40	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149	-170.7	167.5	-83.4	0	0	0	111.3	Q300 V301 L302 E344 M346 L348 V432 F434	Y292-Q300 HydrophobicContact CE2-CB 4.07Å; Y292-Q300 HydrophobicContact CE2-CG 4.38Å; Y292-Q300 PolarHBondContact OH-NE2 3.31Å; Y292-V301 WeakPolarHBondContact CA-O 3.23Å; Y292-V301 WeakPolarHBondContact CD2-O 3.15Å; Y292-L302 HydrophobicContact CD2-CB 4.38Å; Y292-E344 PolarHBondContact N-O 3.43Å; Y292-E344 PolarHBondContact O-N 3.01Å; Y292-M346 HydrophobicContact CD1-CG 4.36Å; Y292-M346 HydrophobicContact CD1-SD 3.48Å; Y292-M346 WeakPolarHBondContact CD1-SD 3.36Å; Y292-M346 HydrophobicContact CE1-SD 4.09Å; Y292-M346 HydrophobicContact CG-SD 4.31Å; Y292-L348 HydrophobicContact CD2-CD1 3.97Å; Y292-L348 HydrophobicContact CE2-CD1 4.46Å; Y292-L348 HydrophobicContact CG-CD1 4.47Å; Y292-L348 HydrophobicContact CG-CD2 4.28Å; Y292-V432 HydrophobicContact CD1-CG1 4.34Å; Y292-V432 HydrophobicContact CE1-CG1 3.81Å; Y292-V432 HydrophobicContact CE2-CG1 4.24Å; Y292-F434 HydrophobicContact CE2-CD2 4.21Å
293	R	97	Very high	94.8	Very high	58 Å²	58	38.3 Å²	38.3	22%	0.219	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.4	166.6	-177.3	56.6	56.6	103.4	-14.9	110.2	V295 V301 E342 L343 E344	R293-V295 HydrophobicContact CB-CG1 4.18Å; R293-V295 HydrophobicContact CG-CG1 3.68Å; R293-V301 PolarHBondContact N-O 3.4Å; R293-V301 PolarHBondContact O-N 3.33Å; R293-E342 WeakPolarHBondContact CD-OE2 3.25Å; R293-E342 HydrophobicContact CG-CB 4Å; R293-E342 VanDerWaalsContact CG-OE2 3.25Å; R293-E342 WeakPolarHBondContact CG-OE2 3.27Å; R293-E342 IonicContact CZ-OE2 3.61Å; R293-E342 PolarHBondContact NE-O 3.08Å; R293-E342 IonicContact NE-OE2 3.67Å; R293-E342 VanDerWaalsContact NH1-CD 3.26Å; R293-E342 IonicContact NH1-OE2 2.71Å; R293-E342 PolarHBondContact NH1-OE2 3.08Å; R293-E342 PolarHBondContact NH2-O 2.77Å; R293-L343 HydrophobicContact CB-CD2 3.76Å; R293-E344 IonicContact CZ-OE2 3.63Å; R293-E344 IonicContact NH2-OE1 2.78Å; R293-E344 PolarHBondContact NH2-OE1 3.48Å; R293-E344 IonicContact NH2-OE2 3.6Å; R293-E344 PolarHBondContact NH2-OE2 3.32Å
294	R	96.1	Very high	94.8	Very high	129 Å²	129	38.3 Å²	38.3	49%	0.487	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.7	159.3	-174.4	-178.1	-66.3	-87.6	4.5	107	G298 T299	R294-G298 PolarHBondContact NH1-O 2.85Å; R294-T299 CarbonylContact C-O 3.59Å; R294-T299 WeakPolarHBondContact CA-O 3.45Å
295	V	93.1	Very high	94.7	Very high	15 Å²	15	39.6 Å²	39.6	9%	0.091	19%	0.191	C	C	.	.			trans	-94.2	-167.3	-174.1	-59.3	0	0	0	0	110.7	R293 G298 T299 V301 W339	R293-V295 HydrophobicContact CB-CG1 4.18Å; R293-V295 HydrophobicContact CG-CG1 3.68Å; V295-G298 PolarHBondContact O-N 3.18Å; V295-G298 VanDerWaalsContact O-N 3.1Å; V295-T299 HydrophobicContact CG2-CG2 4.07Å; V295-T299 PolarHBondContact N-O 2.89Å; V295-V301 HydrophobicContact CG1-CG2 4.04Å; V295-V301 HydrophobicContact CG2-CG2 4.03Å; V295-W339 HydrophobicContact CB-CD2 4.37Å; V295-W339 HydrophobicContact CB-CG 4.22Å; V295-W339 HydrophobicContact CG1-CB 4.12Å; V295-W339 HydrophobicContact CG1-CD2 4.33Å; V295-W339 HydrophobicContact CG1-CG 3.79Å; V295-W339 HydrophobicContact CG2-CD2 3.9Å; V295-W339 HydrophobicContact CG2-CE3 4.39Å; V295-W339 HydrophobicContact CG2-CG 4.24Å; V295-W339 HydrophobicContact CG2-CZ2 4.16Å
296	A	85	Confident	94.6	Very high	69 Å²	69	37.4 Å²	37.4	57%	0.57	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-44.7	145.5	178.9	0	0	0	0	0	113.8	G298 T299	A296-G298 PolarHBondContact O-N 2.97Å; A296-T299 PolarHBondContact O-N 3.24Å
297	E	84.7	Confident	94.4	Very high	116 Å²	116	42 Å²	42	54%	0.542	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	54.6	1	-173.3	-57.8	-153.1	141.1	0	0	117.2	K319 K322	E297-K319 VanDerWaalsContact O-CD 3.24Å; E297-K319 WeakPolarHBondContact O-CD 3.45Å; E297-K319 VanDerWaalsContact O-CE 3.29Å; E297-K319 WeakPolarHBondContact O-CE 3.27Å; E297-K319 PolarHBondContact O-NZ 2.9Å; E297-K322 WeakPolarHBondContact OE2-CD 3.15Å; E297-K322 WeakPolarHBondContact OE2-CE 2.85Å; E297-K322 IonicContact OE2-NZ 2.87Å; E297-K322 PolarHBondContact OE2-NZ 3.48Å
298	G	89.3	Confident	94	Very high	18 Å²	18	40.6 Å²	40.6	19%	0.186	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	97.8	7.6	179.9	0	0	0	0	0	115	R294 V295 A296	R294-G298 PolarHBondContact NH1-O 2.85Å; V295-G298 PolarHBondContact O-N 3.18Å; V295-G298 VanDerWaalsContact O-N 3.1Å; A296-G298 PolarHBondContact O-N 2.97Å
299	T	95.8	Very high	93.9	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	23%	0.226	C	C	.	.			trans	-57.8	141.9	170.3	-65	0	0	0	0	110.6	R294 V295 A296 I316	R294-T299 CarbonylContact C-O 3.59Å; R294-T299 WeakPolarHBondContact CA-O 3.45Å; V295-T299 HydrophobicContact CG2-CG2 4.07Å; V295-T299 PolarHBondContact N-O 2.89Å; A296-T299 PolarHBondContact O-N 3.24Å; T299-I316 HydrophobicContact CG2-CG2 3.64Å
300	Q	97.8	Very high	93.6	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.2	179.2	-59.9	-176.1	-96	0	0	109.9	Y292 L317 T433 F434	Y292-Q300 HydrophobicContact CE2-CB 4.07Å; Y292-Q300 HydrophobicContact CE2-CG 4.38Å; Y292-Q300 PolarHBondContact OH-NE2 3.31Å; Q300-L317 HydrophobicContact CB-CB 4.45Å; Q300-L317 PolarHBondContact N-O 2.97Å; Q300-L317 PolarHBondContact O-N 3.45Å; Q300-T433 PolarHBondContact NE2-O 3.42Å; Q300-F434 HydrophobicContact CB-CD2 3.81Å; Q300-F434 HydrophobicContact CB-CE2 3.85Å
301	V	98.3	Very high	93.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.8	173.9	-172.9	0	0	0	0	108.5	Y292 R293 V295 V314 L315 I316 W339 L343	Y292-V301 WeakPolarHBondContact CA-O 3.23Å; Y292-V301 WeakPolarHBondContact CD2-O 3.15Å; R293-V301 PolarHBondContact N-O 3.4Å; R293-V301 PolarHBondContact O-N 3.33Å; V295-V301 HydrophobicContact CG1-CG2 4.04Å; V295-V301 HydrophobicContact CG2-CG2 4.03Å; V301-V314 HydrophobicContact CG1-CG1 3.68Å; V301-L315 WeakPolarHBondContact CA-O 3.44Å; V301-I316 HydrophobicContact CG1-CG1 4.46Å; V301-I316 HydrophobicContact CG2-CG1 4.48Å; V301-I316 HydrophobicContact CG2-CG2 4.39Å; V301-W339 HydrophobicContact CG2-CB 4.36Å; V301-W339 HydrophobicContact CG2-CD2 4.43Å; V301-W339 HydrophobicContact CG2-CE3 4.05Å; V301-L343 HydrophobicContact CB-CD2 3.91Å; V301-L343 HydrophobicContact CG1-CD1 4.32Å; V301-L343 HydrophobicContact CG1-CD2 3.77Å
302	L	98.4	Very high	93.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.8	-177.8	172.2	61.7	0	0	0	110	F290 Y292 L304 V314 L315 L348 V350 F434	F290-L302 HydrophobicContact CB-CD1 3.59Å; F290-L302 HydrophobicContact CG-CD1 4.28Å; Y292-L302 HydrophobicContact CD2-CB 4.38Å; L302-L304 HydrophobicContact CD1-CD2 4.24Å; L302-L304 HydrophobicContact CD2-CD2 4.05Å; L302-L304 HydrophobicContact CD2-CG 4.32Å; L302-L304 HydrophobicContact CG-CD2 4.09Å; L302-L304 HydrophobicContact CG-CG 4.24Å; L302-V314 CarbonylContact O-C 3.48Å; L302-V314 WeakPolarHBondContact O-CA 3.4Å; L302-L315 HydrophobicContact CD2-CD1 4.48Å; L302-L315 PolarHBondContact N-O 2.78Å; L302-L315 PolarHBondContact O-N 3.06Å; L302-L348 HydrophobicContact CD1-CD1 4.04Å; L302-L348 HydrophobicContact CD1-CD2 4.22Å; L302-L348 HydrophobicContact CD2-CD1 4.36Å; L302-V350 HydrophobicContact CD2-CB 4.48Å; L302-V350 HydrophobicContact CD2-CG1 3.86Å; L302-V350 HydrophobicContact CD2-CG2 3.79Å; L302-F434 HydrophobicContact CB-CD1 4.5Å; L302-F434 HydrophobicContact CB-CD2 3.78Å; L302-F434 HydrophobicContact CB-CE1 4.42Å; L302-F434 HydrophobicContact CB-CE2 3.7Å; L302-F434 HydrophobicContact CB-CG 4.19Å; L302-F434 HydrophobicContact CB-CZ 4.05Å; L302-F434 HydrophobicContact CD2-CB 3.96Å; L302-F434 HydrophobicContact CD2-CD1 3.47Å; L302-F434 VanDerWaalsContact CD2-CD1 3.47Å; L302-F434 HydrophobicContact CD2-CD2 4.06Å; L302-F434 HydrophobicContact CD2-CE1 3.88Å; L302-F434 HydrophobicContact CD2-CE2 4.42Å; L302-F434 HydrophobicContact CD2-CG 3.57Å; L302-F434 HydrophobicContact CD2-CZ 4.34Å
303	E	98.2	Very high	93.3	Very high	8 Å²	8	36 Å²	36	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.3	173.3	-173.7	171.3	-121.6	0	0	111.9	R291 T312 M313 V314 L343 R445	R291-E303 HydrophobicContact CB-CB 4.34Å; R291-E303 IonicContact CZ-OE2 3.16Å; R291-E303 IonicContact NE-OE2 2.68Å; R291-E303 PolarHBondContact NE-OE2 2.91Å; R291-E303 IonicContact NH2-OE1 3.95Å; R291-E303 IonicContact NH2-OE2 2.93Å; R291-E303 PolarHBondContact NH2-OE2 3.45Å; R291-E303 PolarHBondContact O-N 3.03Å; E303-T312 VanDerWaalsContact CG-CB 3.47Å; E303-T312 HydrophobicContact CG-CG2 3.74Å; E303-T312 WeakPolarHBondContact OE1-CB 3.36Å; E303-T312 PolarHBondContact OE1-OG1 3.1Å; E303-M313 WeakPolarHBondContact CA-O 3.48Å; E303-V314 HydrophobicContact CB-CG2 4.21Å; E303-V314 HydrophobicContact CG-CG2 3.96Å; E303-L343 HydrophobicContact CB-CD1 3.91Å; E303-R445 IonicContact OE1-CZ 3.25Å; E303-R445 IonicContact OE1-NE 2.72Å; E303-R445 PolarHBondContact OE1-NE 3.37Å; E303-R445 IonicContact OE1-NH2 3.35Å; E303-R445 PolarHBondContact OE1-NH2 3.11Å; E303-R445 IonicContact OE2-NH2 2.64Å
304	L	96.9	Very high	93.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	109.1	176.6	-61.7	-179	0	0	0	109.5	W257 F261 F290 L302 M313 L315 M352	W257-L304 HydrophobicContact CE3-CB 4.02Å; W257-L304 HydrophobicContact CH2-CB 4.26Å; W257-L304 HydrophobicContact CH2-CD1 4.18Å; W257-L304 HydrophobicContact CZ3-CB 3.52Å; W257-L304 HydrophobicContact CZ3-CD1 4.2Å; F261-L304 HydrophobicContact CZ-CD1 4.39Å; F290-L304 HydrophobicContact CD1-CD2 3.5Å; F290-L304 VanDerWaalsContact CD1-CD2 3.5Å; F290-L304 HydrophobicContact CD2-CD2 4.31Å; F290-L304 HydrophobicContact CE1-CD2 3.69Å; F290-L304 HydrophobicContact CE2-CD2 4.47Å; F290-L304 HydrophobicContact CG-CD2 3.84Å; F290-L304 HydrophobicContact CZ-CD2 4.19Å; L302-L304 HydrophobicContact CD1-CD2 4.24Å; L302-L304 HydrophobicContact CD2-CD2 4.05Å; L302-L304 HydrophobicContact CD2-CG 4.32Å; L302-L304 HydrophobicContact CG-CD2 4.09Å; L302-L304 HydrophobicContact CG-CG 4.24Å; L304-M313 PolarHBondContact N-O 3.36Å; L304-M313 PolarHBondContact O-N 2.92Å; L304-L315 HydrophobicContact CD1-CD1 4Å; L304-M352 HydrophobicContact CD1-SD 3.87Å
305	P	96	Very high	93.5	Very high	26 Å²	26	27.1 Å²	27.1	17%	0.169	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	140.7	179.5	24.7	-29.9	0	0	0	113.2	K258 T312	K258-P305 HydrophobicContact CB-CB 4.19Å; K258-P305 HydrophobicContact CB-CG 4.08Å; K258-P305 VanDerWaalsContact CB-O 3.32Å; K258-P305 WeakPolarHBondContact CB-O 3.32Å; K258-P305 HydrophobicContact CD-CB 4.26Å; K258-P305 HydrophobicContact CD-CG 4.05Å; K258-P305 PolarHBondContact N-O 3.34Å; P305-T312 HydrophobicContact CB-CG2 4.07Å
306	F	94.1	Very high	93.7	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.013	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-82.4	165.8	164.1	-61.4	-67.4	0	0	0	110.7	F253 L256 W257 G308 D309 I311 M313 I444	F253-F306 HydrophobicContact CE1-CE1 4.25Å; F253-F306 AromaticContact CE1-CE2 3.81Å; F253-F306 HydrophobicContact CE1-CE2 3.81Å; F253-F306 AromaticContact CE1-CZ 3.66Å; F253-F306 HydrophobicContact CE1-CZ 3.66Å; F253-F306 AromaticContact CZ-CD2 3.94Å; F253-F306 HydrophobicContact CZ-CD2 3.94Å; F253-F306 HydrophobicContact CZ-CE1 4.48Å; F253-F306 AromaticContact CZ-CE2 3.63Å; F253-F306 HydrophobicContact CZ-CE2 3.63Å; F253-F306 HydrophobicContact CZ-CG 4.49Å; F253-F306 AromaticContact CZ-CZ 3.93Å; F253-F306 HydrophobicContact CZ-CZ 3.93Å; L256-F306 CarbonylContact O-C 3.58Å; L256-F306 WeakPolarHBondContact O-CA 3.27Å; L256-F306 WeakPolarHBondContact O-CB 3.25Å; W257-F306 HydrophobicContact CD2-CD1 4.24Å; W257-F306 AromaticContact CD2-CE1 3.97Å; W257-F306 HydrophobicContact CD2-CE1 3.97Å; W257-F306 AromaticContact CE3-CD1 3.67Å; W257-F306 HydrophobicContact CE3-CD1 3.67Å; W257-F306 AromaticContact CE3-CE1 3.45Å; W257-F306 HydrophobicContact CE3-CE1 3.45Å; W257-F306 VanDerWaalsContact CE3-CE1 3.45Å; W257-F306 HydrophobicContact CE3-CZ 4.24Å; W257-F306 AromaticContact CH2-CE1 3.64Å; W257-F306 HydrophobicContact CH2-CE1 3.64Å; W257-F306 AromaticContact CH2-CZ 3.83Å; W257-F306 HydrophobicContact CH2-CZ 3.83Å; W257-F306 HydrophobicContact CZ2-CE1 4.13Å; W257-F306 AromaticContact CZ3-CD1 3.89Å; W257-F306 HydrophobicContact CZ3-CD1 3.89Å; W257-F306 AromaticContact CZ3-CE1 3.26Å; W257-F306 HydrophobicContact CZ3-CE1 3.26Å; W257-F306 HydrophobicContact CZ3-CE2 4.44Å; W257-F306 AromaticContact CZ3-CZ 3.59Å; W257-F306 HydrophobicContact CZ3-CZ 3.59Å; F306-G308 PolarHBondContact O-N 3.23Å; F306-G308 VanDerWaalsContact O-N 3.07Å; F306-D309 PolarHBondContact O-N 2.82Å; F306-I311 WeakPolarHBondContact CB-O 3.21Å; F306-I311 HydrophobicContact CD2-CB 4.4Å; F306-I311 HydrophobicContact CD2-CG2 3.96Å; F306-I311 WeakPolarHBondContact CD2-O 3.4Å; F306-I311 HydrophobicContact CE2-CG2 4.48Å; F306-I311 PolarHBondContact N-O 2.95Å; F306-M313 HydrophobicContact CE2-CB 3.87Å; F306-M313 HydrophobicContact CZ-CB 3.84Å; F306-M313 HydrophobicContact CZ-CE 4.27Å; F306-I444 HydrophobicContact CE2-CG2 4.25Å
307	K	90.3	Very high	94.4	Very high	107 Å²	107	23.1 Å²	23.1	47%	0.465	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	112.4	-176.7	177.8	-175	178.8	-177.6	0	111.5	S169 L256	S169-K307 WeakPolarHBondContact CA-O 3.3Å; S169-K307 WeakPolarHBondContact CB-O 3.41Å; L256-K307 HydrophobicContact CB-CB 4.47Å; L256-K307 PolarHBondContact O-N 3.03Å
308	G	85.9	Confident	94.9	Very high	53 Å²	53	17.8 Å²	17.8	55%	0.546	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	6.6	-179.7	0	0	0	0	0	115.2	F306 D310	F306-G308 PolarHBondContact O-N 3.23Å; F306-G308 VanDerWaalsContact O-N 3.07Å; G308-D310 PolarHBondContact O-N 2.7Å
309	D	87.9	Confident	95.2	Very high	74 Å²	74	19.9 Å²	19.9	40%	0.396	11%	0.112	S	C	.	.	S	Bend	trans	64.9	-22.8	167	-65.4	-73.3	0	0	0	117.5	K258 F306 I311	K258-D309 WeakPolarHBondContact CD-OD1 3.29Å; K258-D309 WeakPolarHBondContact CD-OD2 3.27Å; K258-D309 WeakPolarHBondContact CE-OD1 3.36Å; K258-D309 IonicContact NZ-OD1 2.72Å; K258-D309 PolarHBondContact NZ-OD1 3.31Å; K258-D309 IonicContact NZ-OD2 2.73Å; K258-D309 PolarHBondContact NZ-OD2 2.84Å; F306-D309 PolarHBondContact O-N 2.82Å; D309-I311 PolarHBondContact O-N 3.15Å
310	D	89.5	Confident	95	Very high	57 Å²	57	24.2 Å²	24.2	31%	0.305	14%	0.14	S	C	.	.	S	Bend	trans	-57.2	-33.8	178.7	-94.9	-33.9	0	0	0	113.8	K165 G308 E446 V447	K165-D310 HydrophobicContact CB-CB 4.37Å; K165-D310 HydrophobicContact CD-CB 3.93Å; K165-D310 VanDerWaalsContact CD-OD2 3.24Å; K165-D310 WeakPolarHBondContact CD-OD2 3.25Å; K165-D310 VanDerWaalsContact CE-OD1 3.31Å; K165-D310 WeakPolarHBondContact CE-OD1 3.4Å; K165-D310 WeakPolarHBondContact CE-OD2 3.2Å; K165-D310 HydrophobicContact CG-CB 4.35Å; K165-D310 WeakPolarHBondContact CG-OD2 3.45Å; K165-D310 IonicContact NZ-OD1 2.92Å; K165-D310 PolarHBondContact NZ-OD1 2.85Å; K165-D310 IonicContact NZ-OD2 3.09Å; K165-D310 PolarHBondContact NZ-OD2 2.53Å; G308-D310 PolarHBondContact O-N 2.7Å; D310-E446 CarbonylContact O-C 3.59Å; D310-E446 WeakPolarHBondContact O-CA 3.3Å; D310-E446 WeakPolarHBondContact O-CG 3.4Å; D310-V447 PolarHBondContact O-N 3.25Å
311	I	93.1	Very high	94.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.1	-178.6	-54	-176.9	0	0	0	108.9	K165 A166 F306 D309 I444 R445 I453	K165-I311 HydrophobicContact CB-CD1 4.43Å; A166-I311 HydrophobicContact CB-CD1 3.8Å; F306-I311 WeakPolarHBondContact CB-O 3.21Å; F306-I311 HydrophobicContact CD2-CB 4.4Å; F306-I311 HydrophobicContact CD2-CG2 3.96Å; F306-I311 WeakPolarHBondContact CD2-O 3.4Å; F306-I311 HydrophobicContact CE2-CG2 4.48Å; F306-I311 PolarHBondContact N-O 2.95Å; D309-I311 PolarHBondContact O-N 3.15Å; I311-I444 HydrophobicContact CG2-CG2 3.67Å; I311-R445 VanDerWaalsContact CA-O 3.3Å; I311-R445 WeakPolarHBondContact CA-O 3.24Å; I311-R445 WeakPolarHBondContact CG2-O 3.33Å; I311-I453 HydrophobicContact CD1-CD1 4.08Å; I311-I453 HydrophobicContact CG1-CD1 4.43Å; I311-I453 HydrophobicContact CG2-CD1 4.12Å
312	T	95.7	Very high	94.2	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.2	-179.6	61.5	0	0	0	0	110.8	E303 P305 I444 R445 V447	E303-T312 VanDerWaalsContact CG-CB 3.47Å; E303-T312 HydrophobicContact CG-CG2 3.74Å; E303-T312 WeakPolarHBondContact OE1-CB 3.36Å; E303-T312 PolarHBondContact OE1-OG1 3.1Å; P305-T312 HydrophobicContact CB-CG2 4.07Å; T312-I444 WeakPolarHBondContact O-CA 3.18Å; T312-R445 PolarHBondContact N-O 3.39Å; T312-R445 VanDerWaalsContact N-O 3.09Å; T312-R445 PolarHBondContact O-N 3.49Å; T312-R445 WeakPolarHBondContact OG1-CG 3.48Å; T312-V447 HydrophobicContact CG2-CG2 3.37Å; T312-V447 WeakPolarHBondContact OG1-CG2 3.25Å
313	M	97.4	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.5	161.2	-177.6	174.3	-79.3	0	0	108.9	W257 E303 L304 F306 L315 M352 L405 V407 V442 F443 I444	W257-M313 HydrophobicContact CH2-CB 4.09Å; W257-M313 HydrophobicContact CH2-SD 3.88Å; W257-M313 HydrophobicContact CZ3-CB 4.06Å; E303-M313 WeakPolarHBondContact CA-O 3.48Å; L304-M313 PolarHBondContact N-O 3.36Å; L304-M313 PolarHBondContact O-N 2.92Å; F306-M313 HydrophobicContact CE2-CB 3.87Å; F306-M313 HydrophobicContact CZ-CB 3.84Å; F306-M313 HydrophobicContact CZ-CE 4.27Å; M313-L315 HydrophobicContact CG-CD2 3.78Å; M313-L315 HydrophobicContact SD-CD2 3.71Å; M313-M352 HydrophobicContact SD-CE 3.74Å; M313-L405 HydrophobicContact CE-CD1 4.08Å; M313-L405 HydrophobicContact CE-CD2 4.05Å; M313-V407 HydrophobicContact CE-CG2 3.88Å; M313-V407 HydrophobicContact SD-CG2 4.47Å; M313-V442 HydrophobicContact SD-CG1 4.47Å; M313-F443 CarbonylContact C-O 3.59Å; M313-F443 VanDerWaalsContact CA-O 3.27Å; M313-F443 WeakPolarHBondContact CA-O 3.25Å; M313-I444 HydrophobicContact CB-CG1 4.41Å; M313-I444 HydrophobicContact CE-CD1 3.76Å; M313-I444 HydrophobicContact CE-CG1 3.77Å; M313-I444 HydrophobicContact CG-CG1 4.36Å
314	V	98.1	Very high	93.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.4	173.1	-177.8	0	0	0	0	108.4	V301 L302 E303 L340 F443 R445	V301-V314 HydrophobicContact CG1-CG1 3.68Å; L302-V314 CarbonylContact O-C 3.48Å; L302-V314 WeakPolarHBondContact O-CA 3.4Å; E303-V314 HydrophobicContact CB-CG2 4.21Å; E303-V314 HydrophobicContact CG-CG2 3.96Å; V314-L340 HydrophobicContact CB-CD2 4.4Å; V314-L340 HydrophobicContact CG1-CD2 3.95Å; V314-L340 HydrophobicContact CG2-CD2 3.74Å; V314-F443 HydrophobicContact CB-CB 4.31Å; V314-F443 PolarHBondContact N-O 2.98Å; V314-F443 PolarHBondContact O-N 3Å; V314-R445 HydrophobicContact CG2-CG 4.5Å
315	L	98.4	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.5	180	-53.4	-179	0	0	0	109	V301 L302 L304 M313 M352 F434 F440 L441 V442	V301-L315 WeakPolarHBondContact CA-O 3.44Å; L302-L315 HydrophobicContact CD2-CD1 4.48Å; L302-L315 PolarHBondContact N-O 2.78Å; L302-L315 PolarHBondContact O-N 3.06Å; L304-L315 HydrophobicContact CD1-CD1 4Å; M313-L315 HydrophobicContact CG-CD2 3.78Å; M313-L315 HydrophobicContact SD-CD2 3.71Å; L315-M352 HydrophobicContact CD1-CE 3.9Å; L315-M352 HydrophobicContact CD1-CG 4.38Å; L315-M352 HydrophobicContact CD1-SD 3.87Å; L315-M352 HydrophobicContact CD2-CE 3.87Å; L315-F434 HydrophobicContact CB-CE1 4.05Å; L315-F434 HydrophobicContact CB-CZ 3.57Å; L315-F434 HydrophobicContact CD1-CE1 3.74Å; L315-F434 HydrophobicContact CD1-CZ 4.16Å; L315-F440 HydrophobicContact CD2-CD2 4.12Å; L315-F440 HydrophobicContact CD2-CE2 3.92Å; L315-L441 WeakPolarHBondContact CA-O 3.5Å; L315-V442 HydrophobicContact CD2-CG1 3.77Å
316	I	98.1	Very high	93.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.3	176.1	-50.3	-176.9	0	0	0	108.5	T299 V301 V327 L331 L336 W339 F440 L441 F443	T299-I316 HydrophobicContact CG2-CG2 3.64Å; V301-I316 HydrophobicContact CG1-CG1 4.46Å; V301-I316 HydrophobicContact CG2-CG1 4.48Å; V301-I316 HydrophobicContact CG2-CG2 4.39Å; I316-V327 HydrophobicContact CG2-CG1 4.04Å; I316-L331 HydrophobicContact CD1-CD1 4.41Å; I316-L336 HydrophobicContact CD1-CD1 3.93Å; I316-W339 HydrophobicContact CD1-CE3 4.08Å; I316-W339 HydrophobicContact CD1-CZ3 4.06Å; I316-W339 HydrophobicContact CG2-CE3 4.43Å; I316-W339 HydrophobicContact CG2-CZ3 3.91Å; I316-F440 WeakPolarHBondContact O-CA 3.49Å; I316-F440 WeakPolarHBondContact O-CB 3.44Å; I316-L441 HydrophobicContact CB-CB 4.2Å; I316-L441 PolarHBondContact N-O 3.13Å; I316-L441 PolarHBondContact O-N 2.97Å; I316-F443 HydrophobicContact CD1-CD2 4.04Å; I316-F443 HydrophobicContact CD1-CE2 3.52Å; I316-F443 HydrophobicContact CD1-CZ 4.3Å; I316-F443 HydrophobicContact CG1-CD2 4.31Å; I316-F443 HydrophobicContact CG1-CE2 4.1Å
317	L	98.2	Very high	93.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	107.9	-170.7	176.2	69.9	0	0	0	109.9	Q300 F434 K435 A436 R438 F440	Q300-L317 HydrophobicContact CB-CB 4.45Å; Q300-L317 PolarHBondContact N-O 2.97Å; Q300-L317 PolarHBondContact O-N 3.45Å; L317-F434 HydrophobicContact CB-CE2 3.61Å; L317-F434 HydrophobicContact CB-CZ 3.58Å; L317-F434 HydrophobicContact CD2-CD1 4.36Å; L317-F434 HydrophobicContact CD2-CD2 4.09Å; L317-F434 HydrophobicContact CD2-CE1 4.1Å; L317-F434 HydrophobicContact CD2-CE2 3.8Å; L317-F434 HydrophobicContact CD2-CG 4.36Å; L317-F434 HydrophobicContact CD2-CZ 3.8Å; L317-F434 HydrophobicContact CG-CE2 4.37Å; L317-F434 HydrophobicContact CG-CZ 4.31Å; L317-K435 WeakPolarHBondContact CD2-O 3.17Å; L317-A436 HydrophobicContact CD1-CB 4.5Å; L317-R438 HydrophobicContact CD1-CG 3.86Å; L317-F440 HydrophobicContact CB-CB 4.42Å; L317-F440 HydrophobicContact CD1-CB 4.01Å
318	P	96.5	Very high	93.4	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.026	20%	0.198	C	C	.	.			trans	-64.9	159.7	177.4	25.8	-33.4	0	0	0	112.1	K322 L324 V327 R438	P318-K322 HydrophobicContact CB-CB 4.17Å; P318-K322 HydrophobicContact CB-CG 4.39Å; P318-K322 WeakPolarHBondContact CB-O 3.23Å; P318-L324 HydrophobicContact CG-CD1 3.81Å; P318-V327 HydrophobicContact CB-CG2 4.05Å; P318-R438 VanDerWaalsContact O-CZ 3.3Å; P318-R438 PolarHBondContact O-NE 3.23Å; P318-R438 PolarHBondContact O-NH2 2.91Å
319	K	94.4	Very high	93.7	Very high	61 Å²	61	38.4 Å²	38.4	27%	0.265	20%	0.199	S	C	.	.			trans	-60.3	153.5	164.2	65.5	176.5	168.6	-156.7	0	110.4	E297 E321 K322	E297-K319 VanDerWaalsContact O-CD 3.24Å; E297-K319 WeakPolarHBondContact O-CD 3.45Å; E297-K319 VanDerWaalsContact O-CE 3.29Å; E297-K319 WeakPolarHBondContact O-CE 3.27Å; E297-K319 PolarHBondContact O-NZ 2.9Å; K319-E321 WeakPolarHBondContact CB-OE2 3.41Å; K319-E321 HydrophobicContact CD-CB 4.43Å; K319-E321 WeakPolarHBondContact CD-OE2 3.37Å; K319-E321 VanDerWaalsContact CG-OE2 3.31Å; K319-E321 WeakPolarHBondContact CG-OE2 3.21Å; K319-E321 PolarHBondContact O-N 2.85Å; K319-K322 HydrophobicContact CG-CB 3.83Å; K319-K322 PolarHBondContact O-N 3.32Å
320	P	91.3	Very high	93.7	Very high	95 Å²	95	39.1 Å²	39.1	62%	0.617	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-27	-178	-26.4	35.8	0	0	0	114.9
321	E	88.8	Confident	93.6	Very high	149 Å²	149	36.7 Å²	36.7	70%	0.696	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.2	-176.6	-47.3	74	-162.3	0	0	113.5	K319	K319-E321 WeakPolarHBondContact CB-OE2 3.41Å; K319-E321 HydrophobicContact CD-CB 4.43Å; K319-E321 WeakPolarHBondContact CD-OE2 3.37Å; K319-E321 VanDerWaalsContact CG-OE2 3.31Å; K319-E321 WeakPolarHBondContact CG-OE2 3.21Å; K319-E321 PolarHBondContact O-N 2.85Å
322	K	90.5	Very high	93.4	Very high	14 Å²	14	39.2 Å²	39.2	6%	0.061	20%	0.203	C	C	.	.	S	Bend	trans	-116.7	123	176.7	-177.3	167.9	-167.3	155.9	0	110	E297 P318 K319 K326 V327 E330	E297-K322 WeakPolarHBondContact OE2-CD 3.15Å; E297-K322 WeakPolarHBondContact OE2-CE 2.85Å; E297-K322 IonicContact OE2-NZ 2.87Å; E297-K322 PolarHBondContact OE2-NZ 3.48Å; P318-K322 HydrophobicContact CB-CB 4.17Å; P318-K322 HydrophobicContact CB-CG 4.39Å; P318-K322 WeakPolarHBondContact CB-O 3.23Å; K319-K322 HydrophobicContact CG-CB 3.83Å; K319-K322 PolarHBondContact O-N 3.32Å; K322-K326 HydrophobicContact CG-CB 4.28Å; K322-V327 HydrophobicContact CD-CG2 3.99Å; K322-V327 HydrophobicContact CG-CG2 4.34Å; K322-E330 WeakPolarHBondContact CE-OE1 3.08Å; K322-E330 IonicContact NZ-OE1 2.73Å; K322-E330 PolarHBondContact NZ-OE1 3.32Å; K322-E330 IonicContact NZ-OE2 3.14Å; K322-E330 PolarHBondContact NZ-OE2 3.31Å
323	S	91.9	Very high	92.7	Very high	60 Å²	60	40.4 Å²	40.4	42%	0.42	21%	0.21	S	C	.	.			trans	-66.1	149.3	172.5	55.4	0	0	0	0	111.3	T325 K326	S323-T325 VanDerWaalsContact C-N 3.28Å; S323-T325 PolarHBondContact O-N 2.97Å; S323-K326 PolarHBondContact O-N 3.35Å
324	L	94.5	Very high	92.2	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-38.3	178.6	-163.1	66.7	0	0	0	111.4	P318 K326 V327 E328 P439 L441 R457	P318-L324 HydrophobicContact CG-CD1 3.81Å; L324-K326 PolarHBondContact O-N 3.45Å; L324-K326 VanDerWaalsContact O-N 3.11Å; L324-V327 CarbonylContact O-C 3.58Å; L324-V327 WeakPolarHBondContact O-CA 3.49Å; L324-V327 WeakPolarHBondContact O-CB 3.21Å; L324-V327 PolarHBondContact O-N 2.88Å; L324-E328 HydrophobicContact CG-CG 4.39Å; L324-E328 WeakPolarHBondContact O-CG 3.41Å; L324-E328 PolarHBondContact O-N 2.79Å; L324-P439 HydrophobicContact CB-CB 4.3Å; L324-P439 HydrophobicContact CD2-CB 3.81Å; L324-L441 HydrophobicContact CD1-CD2 4.31Å; L324-L441 HydrophobicContact CD1-CG 4.03Å; L324-L441 HydrophobicContact CD2-CD2 3.88Å; L324-L441 HydrophobicContact CD2-CG 4.44Å; L324-L441 HydrophobicContact CG-CD2 4.07Å; L324-L441 HydrophobicContact CG-CG 4.32Å; L324-R457 HydrophobicContact CD2-CB 4.41Å; L324-R457 HydrophobicContact CD2-CG 3.72Å
325	T	92.6	Very high	91.9	Very high	32 Å²	32	47.6 Å²	47.6	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-49.8	-38.5	176.6	-18.1	0	0	0	0	113.3	D104 S323 E328 Q329	D104-T325 WeakPolarHBondContact OD2-CB 3.3Å; D104-T325 WeakPolarHBondContact OD2-CG2 3.45Å; D104-T325 PolarHBondContact OD2-OG1 2.93Å; S323-T325 VanDerWaalsContact C-N 3.28Å; S323-T325 PolarHBondContact O-N 2.97Å; T325-E328 PolarHBondContact N-OE2 2.9Å; T325-E328 PolarHBondContact O-N 2.77Å; T325-Q329 WeakPolarHBondContact O-CB 3.33Å; T325-Q329 VanDerWaalsContact O-CG 3.29Å; T325-Q329 WeakPolarHBondContact O-CG 3.49Å; T325-Q329 PolarHBondContact O-N 3.32Å
326	K	92	Very high	91.4	Very high	114 Å²	114	48.1 Å²	48.1	50%	0.496	25%	0.249	S	C	.	.	H	α-helix	trans	-68.4	-39.2	176.2	-73.5	-173	175.1	-168.8	0	112.2	K322 S323 L324 E328 Q329 E330	K322-K326 HydrophobicContact CG-CB 4.28Å; S323-K326 PolarHBondContact O-N 3.35Å; L324-K326 PolarHBondContact O-N 3.45Å; L324-K326 VanDerWaalsContact O-N 3.11Å; K326-E328 VanDerWaalsContact C-N 3.31Å; K326-Q329 PolarHBondContact O-N 3.36Å; K326-E330 WeakPolarHBondContact O-CB 3.39Å; K326-E330 VanDerWaalsContact O-CD 3.26Å; K326-E330 WeakPolarHBondContact O-CG 3.39Å; K326-E330 PolarHBondContact O-N 3.39Å
327	V	93.6	Very high	90.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-38.4	173.8	-176.5	0	0	0	0	110.2	I316 P318 K322 L324 E330 L331 W339 L441	I316-V327 HydrophobicContact CG2-CG1 4.04Å; P318-V327 HydrophobicContact CB-CG2 4.05Å; K322-V327 HydrophobicContact CD-CG2 3.99Å; K322-V327 HydrophobicContact CG-CG2 4.34Å; L324-V327 CarbonylContact O-C 3.58Å; L324-V327 WeakPolarHBondContact O-CA 3.49Å; L324-V327 WeakPolarHBondContact O-CB 3.21Å; L324-V327 PolarHBondContact O-N 2.88Å; V327-E330 PolarHBondContact O-N 3.47Å; V327-L331 VanDerWaalsContact O-CB 3.27Å; V327-L331 WeakPolarHBondContact O-CB 3.28Å; V327-L331 PolarHBondContact O-N 3.28Å; V327-L331 VanDerWaalsContact O-N 3.08Å; V327-W339 HydrophobicContact CG1-CH2 4.18Å; V327-W339 HydrophobicContact CG1-CZ3 4.29Å; V327-L441 HydrophobicContact CG1-CD1 4.41Å
328	E	93.9	Very high	90.6	Very high	8 Å²	8	55 Å²	55	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-38.4	177.3	-65.6	175	112	0	0	112.4	Y95 Q96 L324 T325 K326 L441 R457	Y95-E328 HydrophobicContact CE1-CB 4.34Å; Y95-E328 HydrophobicContact CE1-CG 3.99Å; Y95-E328 VanDerWaalsContact CE1-OE1 3.3Å; Y95-E328 WeakPolarHBondContact CE1-OE1 3.26Å; Y95-E328 PolarHBondContact OH-OE1 3.38Å; Q96-E328 PolarHBondContact NE2-O 3.35Å; L324-E328 HydrophobicContact CG-CG 4.39Å; L324-E328 WeakPolarHBondContact O-CG 3.41Å; L324-E328 PolarHBondContact O-N 2.79Å; T325-E328 PolarHBondContact N-OE2 2.9Å; T325-E328 PolarHBondContact O-N 2.77Å; K326-E328 VanDerWaalsContact C-N 3.31Å; E328-L441 HydrophobicContact CG-CD1 4.04Å; E328-L441 HydrophobicContact CG-CD2 3.72Å; E328-L441 HydrophobicContact CG-CG 4.37Å; E328-L441 WeakPolarHBondContact OE1-CD2 3.46Å; E328-R457 IonicContact OE1-CZ 2.72Å; E328-R457 IonicContact OE1-NE 2.72Å; E328-R457 IonicContact OE1-NH1 3.7Å; E328-R457 PolarHBondContact OE1-NH1 2.69Å; E328-R457 IonicContact OE2-CZ 2.8Å; E328-R457 IonicContact OE2-NH1 2.7Å; E328-R457 PolarHBondContact OE2-NH1 3.16Å
329	Q	90.4	Very high	90.4	Very high	120 Å²	120	55.7 Å²	55.7	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-72.2	-33.5	174.7	-72.2	169.4	-11	0	0	113.3	T325 K326	T325-Q329 WeakPolarHBondContact O-CB 3.33Å; T325-Q329 VanDerWaalsContact O-CG 3.29Å; T325-Q329 WeakPolarHBondContact O-CG 3.49Å; T325-Q329 PolarHBondContact O-N 3.32Å; K326-Q329 PolarHBondContact O-N 3.36Å
330	E	88.6	Confident	90.3	Very high	88 Å²	88	53.3 Å²	53.3	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-82.1	-12.8	178.8	-70.7	162.6	-149.8	0	0	113.8	K322 K326 V327 T332	K322-E330 WeakPolarHBondContact CE-OE1 3.08Å; K322-E330 IonicContact NZ-OE1 2.73Å; K322-E330 PolarHBondContact NZ-OE1 3.32Å; K322-E330 IonicContact NZ-OE2 3.14Å; K322-E330 PolarHBondContact NZ-OE2 3.31Å; K326-E330 WeakPolarHBondContact O-CB 3.39Å; K326-E330 VanDerWaalsContact O-CD 3.26Å; K326-E330 WeakPolarHBondContact O-CG 3.39Å; K326-E330 PolarHBondContact O-N 3.39Å; V327-E330 PolarHBondContact O-N 3.47Å; E330-T332 PolarHBondContact O-N 3.44Å
331	L	87.5	Confident	90.2	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.037	27%	0.271	C	S	.	.			trans	-83.4	98.5	-170.4	-169.2	74.5	0	0	0	113.4	I316 V327 L336 W339 L441 F443	I316-L331 HydrophobicContact CD1-CD1 4.41Å; V327-L331 VanDerWaalsContact O-CB 3.27Å; V327-L331 WeakPolarHBondContact O-CB 3.28Å; V327-L331 PolarHBondContact O-N 3.28Å; V327-L331 VanDerWaalsContact O-N 3.08Å; L331-L336 HydrophobicContact CD1-CB 3.94Å; L331-L336 HydrophobicContact CD1-CD1 4.36Å; L331-W339 HydrophobicContact CD1-CE3 4.25Å; L331-W339 HydrophobicContact CD1-CH2 4.26Å; L331-W339 HydrophobicContact CD1-CZ3 3.74Å; L331-L441 HydrophobicContact CD2-CD1 4.2Å; L331-F443 HydrophobicContact CD2-CE1 4.14Å; L331-F443 HydrophobicContact CD2-CE2 4.34Å; L331-F443 HydrophobicContact CD2-CZ 3.46Å; L331-F443 VanDerWaalsContact CD2-CZ 3.46Å
332	T	88.2	Confident	90.4	Very high	54 Å²	54	50.3 Å²	50.3	33%	0.331	25%	0.254	S	S	.	.			trans	-93.5	164.5	165.8	89.9	0	0	0	0	111.5	E330 E334 V335 L336	E330-T332 PolarHBondContact O-N 3.44Å; T332-E334 VanDerWaalsContact CB-OE2 3.23Å; T332-E334 WeakPolarHBondContact CB-OE2 3.22Å; T332-E334 PolarHBondContact O-N 3.39Å; T332-E334 PolarHBondContact OG1-N 2.88Å; T332-E334 PolarHBondContact OG1-OE2 3.21Å; T332-V335 HydrophobicContact CG2-CG2 4.34Å; T332-V335 PolarHBondContact O-N 3.28Å; T332-V335 PolarHBondContact OG1-N 3.24Å; T332-L336 WeakPolarHBondContact O-CB 3.5Å; T332-L336 PolarHBondContact O-N 3Å
333	P	82.8	Confident	90.7	Very high	29 Å²	29	49.9 Å²	49.9	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-56.2	-34.3	172	-24.6	33.8	0	0	0	113.4	R89 T92 Q337	R89-P333 HydrophobicContact CG-CG 4.4Å; T92-P333 HydrophobicContact CG2-CG 3.86Å; T92-P333 WeakPolarHBondContact OG1-CD 3.44Å; T92-P333 VanDerWaalsContact OG1-CG 3.25Å; T92-P333 WeakPolarHBondContact OG1-CG 3.32Å; P333-Q337 WeakPolarHBondContact O-CB 3.24Å; P333-Q337 PolarHBondContact O-N 2.88Å
334	E	87	Confident	90.8	Very high	114 Å²	114	53 Å²	53	53%	0.533	26%	0.261	S	S	.	.	H	α-helix	trans	-72.3	-46.9	-178.4	-58.4	67.3	-143	0	0	110.6	T332 L336 Q337 E338	T332-E334 VanDerWaalsContact CB-OE2 3.23Å; T332-E334 WeakPolarHBondContact CB-OE2 3.22Å; T332-E334 PolarHBondContact O-N 3.39Å; T332-E334 PolarHBondContact OG1-N 2.88Å; T332-E334 PolarHBondContact OG1-OE2 3.21Å; E334-L336 VanDerWaalsContact C-N 3.35Å; E334-L336 PolarHBondContact O-N 2.81Å; E334-Q337 PolarHBondContact O-N 3.08Å; E334-E338 WeakPolarHBondContact O-CB 3.43Å; E334-E338 PolarHBondContact O-N 3.08Å
335	V	90.2	Very high	90.9	Very high	37 Å²	37	58.4 Å²	58.4	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-43.3	174.3	174.7	0	0	0	0	111	T332 Q337 W339	T332-V335 HydrophobicContact CG2-CG2 4.34Å; T332-V335 PolarHBondContact O-N 3.28Å; T332-V335 PolarHBondContact OG1-N 3.24Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 3.32Å; V335-W339 HydrophobicContact CG1-CD2 4.08Å; V335-W339 VanDerWaalsContact CG1-CE2 3.4Å; V335-W339 HydrophobicContact CG1-CH2 3.93Å; V335-W339 HydrophobicContact CG1-CZ2 3.34Å; V335-W339 VanDerWaalsContact O-CD1 3.29Å; V335-W339 PolarHBondContact O-N 3.37Å; V335-W339 VanDerWaalsContact O-N 3.08Å
336	L	89	Confident	90.9	Very high	11 Å²	11	60.3 Å²	60.3	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-41.1	174.9	179.6	58.6	0	0	0	111.7	I316 L331 T332 E334 L340 F443 I452	I316-L336 HydrophobicContact CD1-CD1 3.93Å; L331-L336 HydrophobicContact CD1-CB 3.94Å; L331-L336 HydrophobicContact CD1-CD1 4.36Å; T332-L336 WeakPolarHBondContact O-CB 3.5Å; T332-L336 PolarHBondContact O-N 3Å; E334-L336 VanDerWaalsContact C-N 3.35Å; E334-L336 PolarHBondContact O-N 2.81Å; L336-L340 HydrophobicContact CD1-CD1 4.13Å; L336-L340 HydrophobicContact CD1-CG 4.35Å; L336-L340 HydrophobicContact CG-CD1 4Å; L336-L340 WeakPolarHBondContact O-CD1 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.33Å; L336-L340 PolarHBondContact O-N 3.21Å; L336-L340 VanDerWaalsContact O-N 3.15Å; L336-F443 HydrophobicContact CD2-CD1 4.07Å; L336-F443 HydrophobicContact CD2-CE1 3.85Å; L336-F443 HydrophobicContact CD2-CZ 4.49Å; L336-I452 HydrophobicContact CD2-CD1 3.89Å
337	Q	87.2	Confident	91	Very high	32 Å²	32	58.9 Å²	58.9	15%	0.15	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-45.5	179.2	-178.7	62.4	69.5	0	0	111.9	Q70 P333 E334 V335 W339 L340 D341 N450	Q70-Q337 VanDerWaalsContact NE2-CD 3.29Å; Q70-Q337 VanDerWaalsContact NE2-CG 3.33Å; P333-Q337 WeakPolarHBondContact O-CB 3.24Å; P333-Q337 PolarHBondContact O-N 2.88Å; E334-Q337 PolarHBondContact O-N 3.08Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 3.32Å; Q337-W339 VanDerWaalsContact C-N 3.34Å; Q337-W339 PolarHBondContact O-N 3.09Å; Q337-L340 PolarHBondContact O-N 2.66Å; Q337-L340 VanDerWaalsContact O-N 3.09Å; Q337-D341 PolarHBondContact NE2-OD1 2.8Å; Q337-D341 PolarHBondContact NE2-OD2 2.87Å; Q337-D341 PolarHBondContact O-N 3.31Å; Q337-N450 PolarHBondContact NE2-ND2 2.76Å; Q337-N450 PolarHBondContact OE1-ND2 2.74Å
338	E	91.3	Very high	91	Very high	114 Å²	114	59 Å²	59	53%	0.533	29%	0.29	S	S	.	.	H	α-helix	trans	-53	-50	173.2	179.7	179.7	-140.7	0	0	111.1	E334 L340 D341 E342	E334-E338 WeakPolarHBondContact O-CB 3.43Å; E334-E338 PolarHBondContact O-N 3.08Å; E338-L340 VanDerWaalsContact C-N 3.26Å; E338-L340 PolarHBondContact O-N 3.22Å; E338-D341 PolarHBondContact O-N 2.89Å; E338-E342 PolarHBondContact O-N 2.9Å; E338-E342 VanDerWaalsContact O-N 3.07Å
339	W	93.3	Very high	91.1	Very high	17 Å²	17	58.6 Å²	58.6	6%	0.064	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-25.9	178.6	-64.6	-0.8	0	0	0	114.1	V295 V301 I316 V327 L331 V335 Q337 L343	V295-W339 HydrophobicContact CB-CD2 4.37Å; V295-W339 HydrophobicContact CB-CG 4.22Å; V295-W339 HydrophobicContact CG1-CB 4.12Å; V295-W339 HydrophobicContact CG1-CD2 4.33Å; V295-W339 HydrophobicContact CG1-CG 3.79Å; V295-W339 HydrophobicContact CG2-CD2 3.9Å; V295-W339 HydrophobicContact CG2-CE3 4.39Å; V295-W339 HydrophobicContact CG2-CG 4.24Å; V295-W339 HydrophobicContact CG2-CZ2 4.16Å; V301-W339 HydrophobicContact CG2-CB 4.36Å; V301-W339 HydrophobicContact CG2-CD2 4.43Å; V301-W339 HydrophobicContact CG2-CE3 4.05Å; I316-W339 HydrophobicContact CD1-CE3 4.08Å; I316-W339 HydrophobicContact CD1-CZ3 4.06Å; I316-W339 HydrophobicContact CG2-CE3 4.43Å; I316-W339 HydrophobicContact CG2-CZ3 3.91Å; V327-W339 HydrophobicContact CG1-CH2 4.18Å; V327-W339 HydrophobicContact CG1-CZ3 4.29Å; L331-W339 HydrophobicContact CD1-CE3 4.25Å; L331-W339 HydrophobicContact CD1-CH2 4.26Å; L331-W339 HydrophobicContact CD1-CZ3 3.74Å; V335-W339 HydrophobicContact CG1-CD2 4.08Å; V335-W339 VanDerWaalsContact CG1-CE2 3.4Å; V335-W339 HydrophobicContact CG1-CH2 3.93Å; V335-W339 HydrophobicContact CG1-CZ2 3.34Å; V335-W339 VanDerWaalsContact O-CD1 3.29Å; V335-W339 PolarHBondContact O-N 3.37Å; V335-W339 VanDerWaalsContact O-N 3.08Å; Q337-W339 VanDerWaalsContact C-N 3.34Å; Q337-W339 PolarHBondContact O-N 3.09Å; W339-L343 WeakPolarHBondContact O-CD2 3.45Å; W339-L343 VanDerWaalsContact O-CG 3.27Å; W339-L343 WeakPolarHBondContact O-CG 3.22Å
340	L	90.9	Very high	91.5	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-83.4	-31.7	179.4	-73.1	169.5	0	0	0	113.2	R291 V314 L336 Q337 E338 L343	R291-L340 PolarHBondContact NH1-O 3.06Å; R291-L340 PolarHBondContact NH2-O 3.47Å; V314-L340 HydrophobicContact CB-CD2 4.4Å; V314-L340 HydrophobicContact CG1-CD2 3.95Å; V314-L340 HydrophobicContact CG2-CD2 3.74Å; L336-L340 HydrophobicContact CD1-CD1 4.13Å; L336-L340 HydrophobicContact CD1-CG 4.35Å; L336-L340 HydrophobicContact CG-CD1 4Å; L336-L340 WeakPolarHBondContact O-CD1 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.33Å; L336-L340 PolarHBondContact O-N 3.21Å; L336-L340 VanDerWaalsContact O-N 3.15Å; Q337-L340 PolarHBondContact O-N 2.66Å; Q337-L340 VanDerWaalsContact O-N 3.09Å; E338-L340 VanDerWaalsContact C-N 3.26Å; E338-L340 PolarHBondContact O-N 3.22Å; L340-L343 HydrophobicContact CD2-CD1 4Å
341	D	90.1	Very high	91.9	Very high	106 Å²	106	49.4 Å²	49.4	57%	0.567	25%	0.245	S	C	*	.	H	α-helix	trans	-78.3	-28.7	176	-67.9	-28.8	0	0	0	111.4	Q337 E338 L343	Q337-D341 PolarHBondContact NE2-OD1 2.8Å; Q337-D341 PolarHBondContact NE2-OD2 2.87Å; Q337-D341 PolarHBondContact O-N 3.31Å; E338-D341 PolarHBondContact O-N 2.89Å; D341-L343 VanDerWaalsContact C-N 3.28Å; D341-L343 PolarHBondContact O-N 2.87Å
342	E	93.8	Very high	92.5	Very high	75 Å²	75	49 Å²	49	35%	0.35	24%	0.243	S	C	.	.	S	Bend	trans	-71.1	-9.2	171	-82.9	-158.1	-166.8	0	0	115.4	R293 E338 E344	R293-E342 WeakPolarHBondContact CD-OE2 3.25Å; R293-E342 HydrophobicContact CG-CB 4Å; R293-E342 VanDerWaalsContact CG-OE2 3.25Å; R293-E342 WeakPolarHBondContact CG-OE2 3.27Å; R293-E342 IonicContact CZ-OE2 3.61Å; R293-E342 PolarHBondContact NE-O 3.08Å; R293-E342 IonicContact NE-OE2 3.67Å; R293-E342 VanDerWaalsContact NH1-CD 3.26Å; R293-E342 IonicContact NH1-OE2 2.71Å; R293-E342 PolarHBondContact NH1-OE2 3.08Å; R293-E342 PolarHBondContact NH2-O 2.77Å; E338-E342 PolarHBondContact O-N 2.9Å; E338-E342 VanDerWaalsContact O-N 3.07Å; E342-E344 PolarHBondContact O-N 3.17Å
343	L	95.1	Very high	92.9	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	23%	0.227	C	C	.	.			trans	-74.6	110.3	-173.2	-58	177.9	0	0	0	113.3	R291 R293 V301 E303 W339 L340 D341	R291-L343 HydrophobicContact CB-CB 3.76Å; R291-L343 PolarHBondContact NH1-O 3.23Å; R293-L343 HydrophobicContact CB-CD2 3.76Å; V301-L343 HydrophobicContact CB-CD2 3.91Å; V301-L343 HydrophobicContact CG1-CD1 4.32Å; V301-L343 HydrophobicContact CG1-CD2 3.77Å; E303-L343 HydrophobicContact CB-CD1 3.91Å; W339-L343 WeakPolarHBondContact O-CD2 3.45Å; W339-L343 VanDerWaalsContact O-CG 3.27Å; W339-L343 WeakPolarHBondContact O-CG 3.22Å; L340-L343 HydrophobicContact CD2-CD1 4Å; D341-L343 VanDerWaalsContact C-N 3.28Å; D341-L343 PolarHBondContact O-N 2.87Å
344	E	95.4	Very high	93.5	Very high	124 Å²	124	50.2 Å²	50.2	58%	0.579	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	145.5	176.7	-75.4	164.4	176	0	0	112.2	R291 Y292 R293 E342 M346	R291-E344 CarbonylContact C-O 3.57Å; R291-E344 VanDerWaalsContact CA-O 3.29Å; R291-E344 WeakPolarHBondContact CA-O 3.45Å; Y292-E344 PolarHBondContact N-O 3.43Å; Y292-E344 PolarHBondContact O-N 3.01Å; R293-E344 IonicContact CZ-OE2 3.63Å; R293-E344 IonicContact NH2-OE1 2.78Å; R293-E344 PolarHBondContact NH2-OE1 3.48Å; R293-E344 IonicContact NH2-OE2 3.6Å; R293-E344 PolarHBondContact NH2-OE2 3.32Å; E342-E344 PolarHBondContact O-N 3.17Å; E344-M346 PolarHBondContact O-N 3.49Å
345	E	95.6	Very high	93.8	Very high	128 Å²	128	45.5 Å²	45.5	60%	0.598	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.9	176.1	-172.6	-172.4	126.2	0	0	111.3	K289 F290	K289-E345 HydrophobicContact CB-CG 4Å; K289-E345 HydrophobicContact CD-CG 4.32Å; K289-E345 WeakPolarHBondContact CD-OE1 3.23Å; K289-E345 IonicContact NZ-OE1 2.61Å; F290-E345 WeakPolarHBondContact O-CA 3.41Å
346	M	93.3	Very high	94	Very high	71 Å²	71	48.3 Å²	48.3	35%	0.35	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.6	175.2	73.4	-178.1	-50.5	0	0	112.9	K289 F290 Y292 E344 L348 V432	K289-M346 WeakPolarHBondContact CA-O 3.38Å; F290-M346 PolarHBondContact N-O 3.45Å; F290-M346 VanDerWaalsContact N-O 3.12Å; F290-M346 PolarHBondContact O-N 2.97Å; Y292-M346 HydrophobicContact CD1-CG 4.36Å; Y292-M346 HydrophobicContact CD1-SD 3.48Å; Y292-M346 WeakPolarHBondContact CD1-SD 3.36Å; Y292-M346 HydrophobicContact CE1-SD 4.09Å; Y292-M346 HydrophobicContact CG-SD 4.31Å; E344-M346 PolarHBondContact O-N 3.49Å; M346-L348 HydrophobicContact CG-CD2 4.09Å; M346-V432 HydrophobicContact CE-CB 4.26Å; M346-V432 HydrophobicContact CE-CG2 3.56Å; M346-V432 HydrophobicContact SD-CG2 4.27Å
347	M	93	Very high	94.1	Very high	85 Å²	85	48 Å²	48	42%	0.419	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.2	169.6	-75.8	-66	-61.4	0	0	110.2	E287 G288 K289	E287-M347 HydrophobicContact CG-CE 4.21Å; G288-M347 WeakPolarHBondContact O-CA 3.42Å; K289-M347 HydrophobicContact CB-SD 4.47Å; K289-M347 HydrophobicContact CD-SD 4.49Å; K289-M347 HydrophobicContact CG-CG 4.04Å; K289-M347 HydrophobicContact CG-SD 3.4Å; K289-M347 WeakPolarHBondContact CG-SD 3.25Å
348	L	94.5	Very high	94.3	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	162.3	168.6	68.4	141.7	0	0	0	113.2	G288 F290 Y292 L302 M346 V350 V432 F434	G288-L348 PolarHBondContact N-O 3.4Å; G288-L348 VanDerWaalsContact N-O 3.12Å; G288-L348 PolarHBondContact O-N 3.38Å; F290-L348 HydrophobicContact CB-CD2 4.08Å; F290-L348 HydrophobicContact CD2-CD2 4.37Å; Y292-L348 HydrophobicContact CD2-CD1 3.97Å; Y292-L348 HydrophobicContact CE2-CD1 4.46Å; Y292-L348 HydrophobicContact CG-CD1 4.47Å; Y292-L348 HydrophobicContact CG-CD2 4.28Å; L302-L348 HydrophobicContact CD1-CD1 4.04Å; L302-L348 HydrophobicContact CD1-CD2 4.22Å; L302-L348 HydrophobicContact CD2-CD1 4.36Å; M346-L348 HydrophobicContact CG-CD2 4.09Å; L348-V350 HydrophobicContact CD1-CG2 3.9Å; L348-V350 HydrophobicContact CG-CG2 4.16Å; L348-V432 WeakPolarHBondContact CA-O 3.37Å; L348-V432 HydrophobicContact CB-CB 3.94Å; L348-V432 HydrophobicContact CB-CG1 3.88Å; L348-V432 WeakPolarHBondContact CB-O 3.46Å; L348-F434 HydrophobicContact CD1-CB 3.62Å
349	V	96.3	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.3	171.7	-177.4	0	0	0	0	109	Y285 E287 R431 V432 T433 F434	Y285-V349 HydrophobicContact CD2-CG1 4.07Å; Y285-V349 HydrophobicContact CE2-CG1 3.29Å; E287-V349 HydrophobicContact CB-CG2 4.39Å; E287-V349 HydrophobicContact CG-CG2 3.95Å; V349-R431 HydrophobicContact CG2-CG 4.28Å; V349-R431 VanDerWaalsContact CG2-NH1 3.33Å; V349-V432 PolarHBondContact N-O 3.09Å; V349-T433 HydrophobicContact CB-CG2 4.36Å; V349-T433 WeakPolarHBondContact O-CA 3.16Å; V349-F434 PolarHBondContact O-N 3.43Å
350	V	98.2	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.4	-179.7	-177	0	0	0	0	109.4	F261 Y285 Q286 F290 L302 L348 M352 F434	F261-V350 HydrophobicContact CE1-CG1 4.26Å; F261-V350 HydrophobicContact CZ-CG1 4.26Å; Y285-V350 WeakPolarHBondContact CA-O 3.31Å; Q286-V350 PolarHBondContact N-O 2.96Å; Q286-V350 VanDerWaalsContact N-O 3.08Å; Q286-V350 PolarHBondContact O-N 3Å; F290-V350 HydrophobicContact CD2-CG2 3.91Å; F290-V350 HydrophobicContact CE2-CG2 3.98Å; L302-V350 HydrophobicContact CD2-CB 4.48Å; L302-V350 HydrophobicContact CD2-CG1 3.86Å; L302-V350 HydrophobicContact CD2-CG2 3.79Å; L348-V350 HydrophobicContact CD1-CG2 3.9Å; L348-V350 HydrophobicContact CG-CG2 4.16Å; V350-M352 HydrophobicContact CG1-CB 4.42Å; V350-F434 HydrophobicContact CG1-CD1 4.48Å
351	H	98.3	Very high	94.5	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.065	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124	163	-52.4	61.1	0	0	0	108.3	E269 M283 M284 Y285 F434 K435 A436	E269-H351 IonicContact OE1-CD2 2.7Å; M283-H351 HydrophobicContact CG-CB 3.95Å; M283-H351 HydrophobicContact SD-CB 3.87Å; M284-H351 WeakPolarHBondContact O-CA 3.22Å; Y285-H351 AromaticContact CD2-CD2 3.91Å; Y285-H351 AromaticContact CD2-CE1 3.81Å; Y285-H351 AromaticContact CD2-NE2 3.68Å; Y285-H351 AromaticContact CE2-CE1 3.79Å; Y285-H351 AromaticContact CE2-NE2 3.91Å; H351-F434 PolarHBondContact N-O 3.21Å; H351-K435 HydrophobicContact CB-CB 4.22Å; H351-K435 HydrophobicContact CB-CD 4.39Å; H351-K435 HydrophobicContact CB-CG 3.94Å; H351-A436 PolarHBondContact O-N 3.03Å
352	M	98.2	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.8	-178.7	-174.6	-176.5	-174.9	0	0	109.7	W257 F261 M283 M284 L304 M313 L315 V350 F355 V407	W257-M352 HydrophobicContact CZ2-SD 4.44Å; F261-M352 HydrophobicContact CZ-CB 4.24Å; F261-M352 HydrophobicContact CZ-SD 4.41Å; M283-M352 PolarHBondContact SD-N 2.88Å; M284-M352 WeakPolarHBondContact CA-O 3.38Å; M284-M352 VanDerWaalsContact CB-O 3.29Å; M284-M352 WeakPolarHBondContact CB-O 3.15Å; M284-M352 HydrophobicContact CE-CB 4.23Å; M284-M352 HydrophobicContact CE-CG 4.2Å; M284-M352 HydrophobicContact CE-SD 4.19Å; M284-M352 PolarHBondContact N-O 2.91Å; M284-M352 PolarHBondContact O-N 3.37Å; L304-M352 HydrophobicContact CD1-SD 3.87Å; M313-M352 HydrophobicContact SD-CE 3.74Å; L315-M352 HydrophobicContact CD1-CE 3.9Å; L315-M352 HydrophobicContact CD1-CG 4.38Å; L315-M352 HydrophobicContact CD1-SD 3.87Å; L315-M352 HydrophobicContact CD2-CE 3.87Å; V350-M352 HydrophobicContact CG1-CB 4.42Å; M352-F355 HydrophobicContact CE-CE1 4Å; M352-F355 HydrophobicContact CE-CZ 4.3Å; M352-V407 HydrophobicContact CE-CG1 3.88Å; M352-V407 HydrophobicContact SD-CG1 4.39Å
353	P	97.4	Very high	94.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	143.6	173.9	26.8	-32.2	0	0	0	110.2	F271 A281 S282 M283 F355 A436 F440 P461	F271-P353 HydrophobicContact CD2-CG 4.45Å; F271-P353 HydrophobicContact CE2-CG 4.42Å; A281-P353 HydrophobicContact CB-CB 4.33Å; S282-P353 WeakPolarHBondContact O-CA 3.14Å; M283-P353 HydrophobicContact CE-CB 4.24Å; P353-F355 HydrophobicContact CB-CD1 4.3Å; P353-F355 HydrophobicContact CG-CD1 4.03Å; P353-F355 HydrophobicContact CG-CE1 4.36Å; P353-F355 WeakPolarHBondContact O-CD1 3.17Å; P353-F355 WeakPolarHBondContact O-CE1 3.32Å; P353-A436 VanDerWaalsContact CD-O 3.3Å; P353-A436 WeakPolarHBondContact CD-O 3.36Å; P353-F440 HydrophobicContact CG-CE1 3.95Å; P353-F440 HydrophobicContact CG-CZ 4.08Å; P353-P461 HydrophobicContact CB-CB 3.85Å; P353-P461 HydrophobicContact CB-CG 4.02Å; P353-P461 HydrophobicContact CG-CB 3.99Å; P353-P461 HydrophobicContact CG-CG 4.09Å
354	R	95.4	Very high	95	Very high	108 Å²	108	42.2 Å²	42.2	41%	0.408	20%	0.204	S	C	.	.			trans	-78.9	140.2	155.7	56.9	-179.7	-73.4	166.8	-4.2	108.4	S282 M284 V407 E409	S282-R354 VanDerWaalsContact CB-CG 3.48Å; S282-R354 WeakPolarHBondContact O-CG 3.15Å; S282-R354 PolarHBondContact O-N 2.93Å; M284-R354 HydrophobicContact CE-CB 4.46Å; M284-R354 HydrophobicContact CG-CB 4.04Å; M284-R354 HydrophobicContact CG-CG 4.45Å; M284-R354 HydrophobicContact SD-CB 3.9Å; R354-V407 CarbonylContact C-O 3.56Å; R354-V407 WeakPolarHBondContact CA-O 3.41Å; R354-V407 WeakPolarHBondContact CB-O 3.39Å; R354-E409 WeakPolarHBondContact CD-OE1 3.5Å; R354-E409 IonicContact CZ-OE1 2.83Å; R354-E409 IonicContact CZ-OE2 3.22Å; R354-E409 IonicContact NE-OE2 2.68Å; R354-E409 VanDerWaalsContact NH1-CD 3.31Å; R354-E409 IonicContact NH1-OE1 2.78Å; R354-E409 PolarHBondContact NH1-OE1 3.32Å; R354-E409 IonicContact NH1-OE2 3.84Å; R354-E409 PolarHBondContact NH1-OE2 2.84Å
355	F	94.4	Very high	95	Very high	14 Å²	14	42.6 Å²	42.6	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	163	-176.8	56.7	-93.8	0	0	0	111.8	M352 P353 I357 L405 V407 F440 V458 P461	M352-F355 HydrophobicContact CE-CE1 4Å; M352-F355 HydrophobicContact CE-CZ 4.3Å; P353-F355 HydrophobicContact CB-CD1 4.3Å; P353-F355 HydrophobicContact CG-CD1 4.03Å; P353-F355 HydrophobicContact CG-CE1 4.36Å; P353-F355 WeakPolarHBondContact O-CD1 3.17Å; P353-F355 WeakPolarHBondContact O-CE1 3.32Å; F355-I357 HydrophobicContact CD2-CD1 3.98Å; F355-I357 HydrophobicContact CD2-CG1 3.96Å; F355-I357 HydrophobicContact CE2-CD1 3.95Å; F355-I357 HydrophobicContact CE2-CG1 4.36Å; F355-L405 HydrophobicContact CE2-CD2 3.79Å; F355-L405 HydrophobicContact CE2-CG 4.22Å; F355-L405 HydrophobicContact CZ-CD2 4.33Å; F355-V407 HydrophobicContact CD1-CB 4.3Å; F355-V407 HydrophobicContact CD1-CG1 4.47Å; F355-V407 HydrophobicContact CD2-CB 4.4Å; F355-V407 HydrophobicContact CE1-CB 4.02Å; F355-V407 HydrophobicContact CE1-CG1 4.08Å; F355-V407 HydrophobicContact CE1-CG2 4.26Å; F355-V407 HydrophobicContact CE2-CB 4.15Å; F355-V407 HydrophobicContact CE2-CG2 3.94Å; F355-V407 HydrophobicContact CG-CB 4.48Å; F355-V407 HydrophobicContact CZ-CB 3.95Å; F355-V407 HydrophobicContact CZ-CG1 4.38Å; F355-V407 HydrophobicContact CZ-CG2 3.73Å; F355-V407 PolarHBondContact N-O 2.97Å; F355-V407 PolarHBondContact O-N 2.95Å; F355-F440 HydrophobicContact CE1-CE2 4.43Å; F355-F440 AromaticContact CE1-CZ 3.85Å; F355-F440 HydrophobicContact CE1-CZ 3.85Å; F355-F440 HydrophobicContact CZ-CZ 4.31Å; F355-V458 HydrophobicContact CD1-CG1 4.35Å; F355-V458 HydrophobicContact CE1-CG1 4.35Å; F355-V458 HydrophobicContact CE1-CG2 4.28Å; F355-V458 HydrophobicContact CE2-CG2 3.91Å; F355-V458 HydrophobicContact CZ-CG1 4.47Å; F355-V458 HydrophobicContact CZ-CG2 3.71Å; F355-P461 HydrophobicContact CB-CB 3.79Å; F355-P461 HydrophobicContact CD1-CB 4.28Å; F355-P461 HydrophobicContact CG-CB 4.29Å
356	R	92.6	Very high	95.1	Very high	96 Å²	96	37.2 Å²	37.2	36%	0.362	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.3	164	169.1	174.4	165	-158.1	9.7	107.7	E358 F404 L405 S464	R356-E358 IonicContact CZ-OE2 3.88Å; R356-E358 IonicContact NE-OE2 3.03Å; R356-E358 IonicContact NH2-OE2 3.94Å; R356-E358 PolarHBondContact NH2-OE2 3.29Å; R356-F404 VanDerWaalsContact CD-CZ 3.42Å; R356-F404 HydrophobicContact CG-CE1 3.9Å; R356-F404 HydrophobicContact CG-CE2 4.42Å; R356-F404 HydrophobicContact CG-CZ 3.77Å; R356-L405 WeakPolarHBondContact CA-O 3.45Å; R356-S464 VanDerWaalsContact CD-OXT 3.26Å; R356-S464 WeakPolarHBondContact CD-OXT 3.26Å; R356-S464 PolarHBondContact NH1-OXT 2.85Å
357	I	91.3	Very high	95.3	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.4	165.3	-65.6	169.5	0	0	0	107.5	N107 F109 F355 D359 F404 L405 V458	N107-I357 HydrophobicContact CB-CD1 4Å; N107-I357 HydrophobicContact CB-CG1 4.16Å; N107-I357 HydrophobicContact CB-CG2 3.99Å; F109-I357 HydrophobicContact CB-CB 4.48Å; F109-I357 HydrophobicContact CB-CG2 3.66Å; F355-I357 HydrophobicContact CD2-CD1 3.98Å; F355-I357 HydrophobicContact CD2-CG1 3.96Å; F355-I357 HydrophobicContact CE2-CD1 3.95Å; F355-I357 HydrophobicContact CE2-CG1 4.36Å; I357-D359 HydrophobicContact CG2-CB 4.37Å; I357-F404 CarbonylContact O-C 3.55Å; I357-F404 WeakPolarHBondContact O-CA 3.37Å; I357-L405 PolarHBondContact N-O 3.33Å; I357-L405 PolarHBondContact O-N 3.43Å; I357-V458 HydrophobicContact CD1-CB 4.38Å; I357-V458 HydrophobicContact CD1-CG1 4.39Å; I357-V458 HydrophobicContact CD1-CG2 3.82Å
358	E	91.3	Very high	95.5	Very high	68 Å²	68	32.8 Å²	32.8	32%	0.318	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.7	170.1	-176.9	176.6	148.2	0	0	106	R356 K402 F404	R356-E358 IonicContact CZ-OE2 3.88Å; R356-E358 IonicContact NE-OE2 3.03Å; R356-E358 IonicContact NH2-OE2 3.94Å; R356-E358 PolarHBondContact NH2-OE2 3.29Å; E358-K402 WeakPolarHBondContact OE1-CE 3.49Å; E358-K402 IonicContact OE1-NZ 2.7Å; E358-K402 PolarHBondContact OE1-NZ 3.36Å; E358-F404 HydrophobicContact CB-CD2 4.01Å; E358-F404 HydrophobicContact CB-CE2 4.39Å; E358-F404 HydrophobicContact CG-CD2 3.94Å; E358-F404 HydrophobicContact CG-CE2 4.5Å; E358-F404 WeakPolarHBondContact OE2-CE2 3.44Å
359	D	92.9	Very high	95.6	Very high	14 Å²	14	38.4 Å²	38.4	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.5	-177.1	-172.1	8.6	0	0	0	109.1	K102 I108 F109 I357 K402 A403	K102-D359 IonicContact NZ-OD1 2.72Å; K102-D359 PolarHBondContact NZ-OD1 2.82Å; K102-D359 IonicContact NZ-OD2 4Å; K102-D359 PolarHBondContact NZ-OD2 3.39Å; I108-D359 WeakPolarHBondContact CA-OD2 3.32Å; F109-D359 HydrophobicContact CB-CB 4.22Å; F109-D359 PolarHBondContact N-OD2 3.11Å; I357-D359 HydrophobicContact CG2-CB 4.37Å; D359-K402 CarbonylContact O-C 3.58Å; D359-K402 VanDerWaalsContact O-CA 3.3Å; D359-K402 WeakPolarHBondContact O-CA 3.5Å; D359-K402 WeakPolarHBondContact O-CG 3.5Å; D359-A403 PolarHBondContact N-O 3.36Å; D359-A403 PolarHBondContact O-N 3.23Å
360	G	93.6	Very high	95.7	Very high	41 Å²	41	39.8 Å²	39.8	42%	0.423	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	129.4	-173.9	0	0	0	0	0	111.7	H401	G360-H401 CarbonylContact C-O 3.38Å; G360-H401 VanDerWaalsContact CA-O 3.26Å; G360-H401 WeakPolarHBondContact CA-O 3.25Å
361	F	94.2	Very high	95.7	Very high	27 Å²	27	41.3 Å²	41.3	12%	0.118	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	157	-170.6	48.7	-84.3	0	0	0	111.7	F94 L98 L110 L363 H401	F94-F361 HydrophobicContact CE1-CE2 4.09Å; F94-F361 HydrophobicContact CZ-CE2 4.16Å; L98-F361 HydrophobicContact CD1-CD2 3.66Å; L98-F361 HydrophobicContact CD1-CE1 4.46Å; L98-F361 HydrophobicContact CD1-CE2 3.54Å; L98-F361 HydrophobicContact CD1-CG 4.18Å; L98-F361 HydrophobicContact CD1-CZ 3.98Å; L98-F361 HydrophobicContact CD2-CE1 4.08Å; L98-F361 HydrophobicContact CD2-CE2 3.7Å; L98-F361 HydrophobicContact CD2-CZ 3.41Å; L98-F361 VanDerWaalsContact CD2-CZ 3.41Å; L98-F361 HydrophobicContact CG-CE2 4.28Å; L98-F361 HydrophobicContact CG-CZ 4.36Å; L110-F361 HydrophobicContact CB-CZ 4.01Å; F361-L363 HydrophobicContact CD2-CD2 4Å; F361-L363 HydrophobicContact CE2-CD2 3.56Å; F361-H401 HydrophobicContact CE2-CB 4.43Å; F361-H401 HydrophobicContact CZ-CB 4.48Å; F361-H401 AromaticContact CZ-CD2 3.9Å; F361-H401 PolarHBondContact N-O 3.47Å; F361-H401 PolarHBondContact O-N 3.03Å
362	S	95.6	Very high	95.6	Very high	33 Å²	33	40.6 Å²	40.6	23%	0.231	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.2	161.2	171.5	0	0	0	0	109.2	K364 Q366 D398	S362-K364 VanDerWaalsContact OG-CB 3.23Å; S362-K364 WeakPolarHBondContact OG-CB 3.46Å; S362-K364 PolarHBondContact OG-N 3.15Å; S362-Q366 PolarHBondContact O-OE1 3.1Å; S362-D398 WeakPolarHBondContact CB-OD1 3.37Å; S362-D398 PolarHBondContact OG-OD1 3.44Å
363	L	96.5	Very high	95.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.224	C	C	.	.	S	Bend	trans	-92.4	-7.3	173	-59	172.3	0	0	0	112.4	F94 V115 F119 F361 L367 A399 H401	F94-L363 HydrophobicContact CE1-CD2 4.03Å; F94-L363 HydrophobicContact CE2-CD2 4.27Å; F94-L363 HydrophobicContact CZ-CD2 3.45Å; F94-L363 VanDerWaalsContact CZ-CD2 3.45Å; V115-L363 HydrophobicContact CG1-CD1 3.83Å; V115-L363 HydrophobicContact CG1-CD2 4.45Å; V115-L363 HydrophobicContact CG2-CD1 4.06Å; V115-L363 HydrophobicContact CG2-CD2 4.19Å; F119-L363 HydrophobicContact CE2-CD1 3.76Å; F119-L363 HydrophobicContact CZ-CD1 4.47Å; F361-L363 HydrophobicContact CD2-CD2 4Å; F361-L363 HydrophobicContact CE2-CD2 3.56Å; L363-L367 HydrophobicContact CB-CD1 3.84Å; L363-L367 HydrophobicContact CB-CG 4.46Å; L363-L367 VanDerWaalsContact O-CB 3.26Å; L363-L367 WeakPolarHBondContact O-CB 3.31Å; L363-L367 WeakPolarHBondContact O-CD1 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.12Å; L363-L367 PolarHBondContact O-N 3.23Å; L363-L367 VanDerWaalsContact O-N 3.09Å; L363-A399 HydrophobicContact CB-CB 4.29Å; L363-A399 WeakPolarHBondContact CB-O 3.39Å; L363-A399 HydrophobicContact CD1-CB 4.31Å; L363-A399 WeakPolarHBondContact CG-O 3.22Å; L363-A399 PolarHBondContact N-O 3.23Å; L363-H401 HydrophobicContact CD1-CB 4.08Å; L363-H401 HydrophobicContact CD2-CB 3.74Å; L363-H401 HydrophobicContact CG-CB 3.96Å
364	K	96.3	Very high	95.6	Very high	57 Å²	57	44.2 Å²	44.2	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-53.8	-163.1	176.2	173.9	177	177.1	0	112.3	S362 L367 Q368 F376 S397	S362-K364 VanDerWaalsContact OG-CB 3.23Å; S362-K364 WeakPolarHBondContact OG-CB 3.46Å; S362-K364 PolarHBondContact OG-N 3.15Å; K364-L367 PolarHBondContact O-N 3.09Å; K364-Q368 VanDerWaalsContact CG-OE1 3.29Å; K364-Q368 WeakPolarHBondContact O-CB 3.49Å; K364-Q368 VanDerWaalsContact O-CG 3.32Å; K364-Q368 WeakPolarHBondContact O-CG 3.23Å; K364-Q368 PolarHBondContact O-N 3.47Å; K364-F376 HydrophobicContact CB-CD1 4.43Å; K364-F376 HydrophobicContact CB-CE1 4.13Å; K364-F376 HydrophobicContact CB-CZ 4.39Å; K364-F376 HydrophobicContact CD-CD1 4.14Å; K364-F376 HydrophobicContact CG-CD1 3.84Å; K364-F376 HydrophobicContact CG-CD2 4.38Å; K364-F376 HydrophobicContact CG-CE1 4.02Å; K364-F376 HydrophobicContact CG-CG 4.04Å; K364-F376 HydrophobicContact CG-CZ 4.38Å; K364-S397 PolarHBondContact NZ-O 2.8Å
365	E	96.1	Very high	95.7	Very high	132 Å²	132	39 Å²	39	62%	0.617	21%	0.209	S	C	*	.	H	α-helix	trans	-61.5	-51.4	-175.2	-61	179.9	155.2	0	0	110.9	L367 Q368 D369	E365-L367 VanDerWaalsContact C-N 3.31Å; E365-L367 PolarHBondContact O-N 3.18Å; E365-Q368 PolarHBondContact O-N 2.9Å; E365-Q368 VanDerWaalsContact O-N 3.08Å; E365-D369 PolarHBondContact O-N 3.03Å
366	Q	97.1	Very high	95.8	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.065	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-35.8	179.9	-61.5	75.4	12.3	0	0	112	F94 H97 S101 S362 M370	F94-Q366 HydrophobicContact CE2-CB 3.79Å; F94-Q366 HydrophobicContact CZ-CB 4.29Å; H97-Q366 HydrophobicContact CB-CB 4.14Å; H97-Q366 HydrophobicContact CB-CG 4.35Å; S101-Q366 PolarHBondContact OG-NE2 2.81Å; S362-Q366 PolarHBondContact O-OE1 3.1Å; Q366-M370 VanDerWaalsContact O-CG 3.25Å; Q366-M370 WeakPolarHBondContact O-CG 3.25Å; Q366-M370 PolarHBondContact O-N 3.11Å; Q366-M370 VanDerWaalsContact O-N 3.08Å
367	L	98	Very high	96	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-73.6	-34.7	174.5	-71.8	173.1	0	0	0	112.5	F90 F94 F119 V137 F138 L363 K364 E365 M370 G371 L372 F376	F90-L367 HydrophobicContact CE2-CD2 3.96Å; F90-L367 HydrophobicContact CZ-CD2 4.31Å; F94-L367 HydrophobicContact CD2-CD2 3.96Å; F94-L367 HydrophobicContact CD2-CG 4.42Å; F94-L367 HydrophobicContact CE2-CD2 4.05Å; F94-L367 HydrophobicContact CE2-CG 4.01Å; F119-L367 HydrophobicContact CD1-CD1 4.48Å; F119-L367 HydrophobicContact CD2-CD1 4.31Å; F119-L367 HydrophobicContact CE1-CD1 3.77Å; F119-L367 HydrophobicContact CE2-CD1 3.57Å; F119-L367 HydrophobicContact CZ-CD1 3.25Å; V137-L367 HydrophobicContact CG1-CD2 4Å; F138-L367 HydrophobicContact CE1-CD2 4.33Å; F138-L367 HydrophobicContact CE2-CD2 4.35Å; F138-L367 HydrophobicContact CZ-CD1 4.12Å; F138-L367 HydrophobicContact CZ-CD2 3.74Å; L363-L367 HydrophobicContact CB-CD1 3.84Å; L363-L367 HydrophobicContact CB-CG 4.46Å; L363-L367 VanDerWaalsContact O-CB 3.26Å; L363-L367 WeakPolarHBondContact O-CB 3.31Å; L363-L367 WeakPolarHBondContact O-CD1 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.12Å; L363-L367 PolarHBondContact O-N 3.23Å; L363-L367 VanDerWaalsContact O-N 3.09Å; K364-L367 PolarHBondContact O-N 3.09Å; E365-L367 VanDerWaalsContact C-N 3.31Å; E365-L367 PolarHBondContact O-N 3.18Å; L367-M370 HydrophobicContact CD2-SD 4.46Å; L367-M370 PolarHBondContact O-N 3.22Å; L367-G371 PolarHBondContact O-N 3.01Å; L367-L372 HydrophobicContact CB-CB 4.17Å; L367-L372 HydrophobicContact CB-CD2 4.1Å; L367-L372 HydrophobicContact CD1-CD2 4.18Å; L367-L372 VanDerWaalsContact O-CB 3.23Å; L367-L372 WeakPolarHBondContact O-CB 3.48Å; L367-L372 PolarHBondContact O-N 2.84Å; L367-F376 HydrophobicContact CB-CE2 4.1Å; L367-F376 HydrophobicContact CB-CZ 4.3Å; L367-F376 HydrophobicContact CD1-CZ 4.27Å
368	Q	97.8	Very high	96.1	Very high	63 Å²	63	38.6 Å²	38.6	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-42.1	172.9	-72.8	-174.3	-93.2	0	0	111.3	K364 E365 M370 G371 F376	K364-Q368 VanDerWaalsContact CG-OE1 3.29Å; K364-Q368 WeakPolarHBondContact O-CB 3.49Å; K364-Q368 VanDerWaalsContact O-CG 3.32Å; K364-Q368 WeakPolarHBondContact O-CG 3.23Å; K364-Q368 PolarHBondContact O-N 3.47Å; E365-Q368 PolarHBondContact O-N 2.9Å; E365-Q368 VanDerWaalsContact O-N 3.08Å; Q368-M370 VanDerWaalsContact C-N 3.3Å; Q368-M370 PolarHBondContact O-N 2.83Å; Q368-G371 WeakPolarHBondContact O-CA 3.22Å; Q368-G371 PolarHBondContact O-N 3.31Å; Q368-F376 HydrophobicContact CG-CD2 3.6Å; Q368-F376 HydrophobicContact CG-CE2 4.06Å; Q368-F376 HydrophobicContact CG-CG 4.44Å
369	D	97.3	Very high	96.1	Very high	120 Å²	120	43.5 Å²	43.5	64%	0.642	24%	0.243	S	C	*	.	H	α-helix	trans	-62.8	-34.8	173.8	-71.3	-21.9	0	0	0	112.6	E365 G371	E365-D369 PolarHBondContact O-N 3.03Å; D369-G371 PolarHBondContact O-N 2.62Å
370	M	97.4	Very high	96.2	Very high	29 Å²	29	47.8 Å²	47.8	14%	0.143	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.9	171.5	-71.8	174.9	68	0	0	113.8	F90 T93 F94 H97 V137 Q366 L367 Q368	F90-M370 HydrophobicContact CD2-CE 3.83Å; F90-M370 HydrophobicContact CE2-CE 3.83Å; F90-M370 HydrophobicContact CE2-SD 4.47Å; T93-M370 HydrophobicContact CG2-CE 3.8Å; T93-M370 HydrophobicContact CG2-CG 4.47Å; T93-M370 HydrophobicContact CG2-SD 4.44Å; F94-M370 HydrophobicContact CB-CE 4.23Å; F94-M370 HydrophobicContact CB-SD 3.97Å; F94-M370 HydrophobicContact CD2-SD 3.7Å; F94-M370 HydrophobicContact CG-SD 4.33Å; H97-M370 VanDerWaalsContact CD2-CG 3.49Å; H97-M370 WeakPolarHBondContact CD2-CG 3.25Å; H97-M370 WeakPolarHBondContact NE2-CG 3.47Å; V137-M370 HydrophobicContact CG1-CB 4.03Å; V137-M370 HydrophobicContact CG1-CE 4.16Å; V137-M370 WeakPolarHBondContact CG2-O 3.42Å; Q366-M370 VanDerWaalsContact O-CG 3.25Å; Q366-M370 WeakPolarHBondContact O-CG 3.25Å; Q366-M370 PolarHBondContact O-N 3.11Å; Q366-M370 VanDerWaalsContact O-N 3.08Å; L367-M370 HydrophobicContact CD2-SD 4.46Å; L367-M370 PolarHBondContact O-N 3.22Å; Q368-M370 VanDerWaalsContact C-N 3.3Å; Q368-M370 PolarHBondContact O-N 2.83Å
371	G	97.5	Very high	96.3	Very high	32 Å²	32	45.9 Å²	45.9	33%	0.33	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.6	3.4	175.1	0	0	0	0	0	116.4	Q133 L367 Q368 D369 V373	Q133-G371 PolarHBondContact OE1-O 2.87Å; L367-G371 PolarHBondContact O-N 3.01Å; Q368-G371 WeakPolarHBondContact O-CA 3.22Å; Q368-G371 PolarHBondContact O-N 3.31Å; D369-G371 PolarHBondContact O-N 2.62Å; G371-V373 VanDerWaalsContact C-N 3.27Å; G371-V373 PolarHBondContact O-N 3.1Å
372	L	98.1	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.			trans	-83.2	65	178.2	-169	59.2	0	0	0	111.1	F119 Q133 L134 V137 F138 L367 L375 F376	F119-L372 HydrophobicContact CD1-CD2 3.96Å; F119-L372 HydrophobicContact CE1-CD2 3.86Å; Q133-L372 HydrophobicContact CB-CD1 3.83Å; L134-L372 HydrophobicContact CD2-CD1 3.87Å; L134-L372 HydrophobicContact CD2-CD2 4.13Å; L134-L372 HydrophobicContact CG-CD1 3.87Å; V137-L372 HydrophobicContact CG1-CB 4.37Å; V137-L372 HydrophobicContact CG2-CB 4.07Å; F138-L372 HydrophobicContact CE2-CD2 3.89Å; L367-L372 HydrophobicContact CB-CB 4.17Å; L367-L372 HydrophobicContact CB-CD2 4.1Å; L367-L372 HydrophobicContact CD1-CD2 4.18Å; L367-L372 VanDerWaalsContact O-CB 3.23Å; L367-L372 WeakPolarHBondContact O-CB 3.48Å; L367-L372 PolarHBondContact O-N 2.84Å; L372-L375 HydrophobicContact CD1-CB 4.01Å; L372-L375 HydrophobicContact CD1-CD2 4.19Å; L372-L375 HydrophobicContact CD2-CD2 3.74Å; L372-L375 HydrophobicContact CG-CB 4.04Å; L372-L375 HydrophobicContact CG-CD2 4.04Å; L372-F376 HydrophobicContact CB-CE2 4.35Å; L372-F376 HydrophobicContact CD2-CE2 4Å; L372-F376 HydrophobicContact CD2-CZ 4.37Å; L372-F376 HydrophobicContact CG-CE2 4.02Å; L372-F376 WeakPolarHBondContact O-CD2 3.42Å; L372-F376 WeakPolarHBondContact O-CE2 3.45Å
373	V	97.8	Very high	96.2	Very high	57 Å²	57	45.7 Å²	45.7	35%	0.345	24%	0.237	S	C	.	.			trans	-84.7	-44.4	-171	179.7	0	0	0	0	112.9	G371 L375 F376	G371-V373 VanDerWaalsContact C-N 3.27Å; G371-V373 PolarHBondContact O-N 3.1Å; V373-L375 PolarHBondContact O-N 3.41Å; V373-F376 PolarHBondContact O-N 3.31Å
374	D	97.5	Very high	96	Very high	18 Å²	18	47.6 Å²	47.6	10%	0.096	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-71.1	-33.8	-167.6	-70.9	21.5	0	0	0	111.6	Q133 F376 S377 K380 S381	Q133-D374 PolarHBondContact NE2-OD1 3.38Å; D374-F376 PolarHBondContact O-N 3.02Å; D374-S377 WeakPolarHBondContact O-CB 3.35Å; D374-S377 PolarHBondContact O-N 3.2Å; D374-K380 HydrophobicContact CB-CB 3.86Å; D374-K380 HydrophobicContact CB-CD 4.43Å; D374-K380 VanDerWaalsContact OD1-CD 3.24Å; D374-K380 WeakPolarHBondContact OD1-CD 3.44Å; D374-K380 IonicContact OD1-NZ 2.81Å; D374-S381 WeakPolarHBondContact O-CA 3.5Å; D374-S381 WeakPolarHBondContact O-CB 3.31Å; D374-S381 PolarHBondContact O-N 2.98Å; D374-S381 PolarHBondContact O-OG 2.97Å
375	L	97	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-56.4	-37.8	-179.2	-176.4	67	0	0	0	112.9	F119 T130 L134 L372 V373 S381 L383 V396	F119-L375 HydrophobicContact CD1-CD2 3.81Å; F119-L375 HydrophobicContact CE1-CD2 3.63Å; T130-L375 HydrophobicContact CG2-CB 4.03Å; T130-L375 HydrophobicContact CG2-CD1 3.67Å; T130-L375 HydrophobicContact CG2-CG 4.47Å; L134-L375 HydrophobicContact CD1-CD1 4.47Å; L134-L375 HydrophobicContact CD2-CD2 4.04Å; L372-L375 HydrophobicContact CD1-CB 4.01Å; L372-L375 HydrophobicContact CD1-CD2 4.19Å; L372-L375 HydrophobicContact CD2-CD2 3.74Å; L372-L375 HydrophobicContact CG-CB 4.04Å; L372-L375 HydrophobicContact CG-CD2 4.04Å; V373-L375 PolarHBondContact O-N 3.41Å; L375-S381 WeakPolarHBondContact CA-OG 3.37Å; L375-S381 PolarHBondContact O-OG 3.48Å; L375-L383 HydrophobicContact CD1-CD1 3.97Å; L375-L383 HydrophobicContact CD1-CD2 3.84Å; L375-L383 HydrophobicContact CD1-CG 4.25Å; L375-V396 HydrophobicContact CD1-CG2 3.79Å; L375-V396 HydrophobicContact CD2-CG2 4.11Å; L375-V396 HydrophobicContact CG-CB 4.15Å; L375-V396 HydrophobicContact CG-CG2 3.72Å; L375-V396 PolarHBondContact O-N 2.94Å
376	F	96.8	Very high	95.6	Very high	9 Å²	9	38.8 Å²	38.8	4%	0.039	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-95.3	4	-179.6	-50.5	-83	0	0	0	113.6	F119 K364 L367 Q368 L372 V373 D374 V396 A399	F119-F376 HydrophobicContact CE1-CZ 4.09Å; F119-F376 HydrophobicContact CZ-CZ 4.23Å; K364-F376 HydrophobicContact CB-CD1 4.43Å; K364-F376 HydrophobicContact CB-CE1 4.13Å; K364-F376 HydrophobicContact CB-CZ 4.39Å; K364-F376 HydrophobicContact CD-CD1 4.14Å; K364-F376 HydrophobicContact CG-CD1 3.84Å; K364-F376 HydrophobicContact CG-CD2 4.38Å; K364-F376 HydrophobicContact CG-CE1 4.02Å; K364-F376 HydrophobicContact CG-CG 4.04Å; K364-F376 HydrophobicContact CG-CZ 4.38Å; L367-F376 HydrophobicContact CB-CE2 4.1Å; L367-F376 HydrophobicContact CB-CZ 4.3Å; L367-F376 HydrophobicContact CD1-CZ 4.27Å; Q368-F376 HydrophobicContact CG-CD2 3.6Å; Q368-F376 HydrophobicContact CG-CE2 4.06Å; Q368-F376 HydrophobicContact CG-CG 4.44Å; L372-F376 HydrophobicContact CB-CE2 4.35Å; L372-F376 HydrophobicContact CD2-CE2 4Å; L372-F376 HydrophobicContact CD2-CZ 4.37Å; L372-F376 HydrophobicContact CG-CE2 4.02Å; L372-F376 WeakPolarHBondContact O-CD2 3.42Å; L372-F376 WeakPolarHBondContact O-CE2 3.45Å; V373-F376 PolarHBondContact O-N 3.31Å; D374-F376 PolarHBondContact O-N 3.02Å; F376-V396 WeakPolarHBondContact CA-O 3.37Å; F376-V396 HydrophobicContact CD1-CB 3.86Å; F376-V396 HydrophobicContact CD1-CG1 3.77Å; F376-V396 WeakPolarHBondContact CD1-O 3.39Å; F376-V396 HydrophobicContact CE1-CB 4.14Å; F376-V396 HydrophobicContact CE1-CG1 3.68Å; F376-A399 HydrophobicContact CE1-CB 4.38Å
377	S	95.8	Very high	95.2	Very high	25 Å²	25	38.5 Å²	38.5	18%	0.175	21%	0.209	C	C	.	.			trans	-99.8	121.1	-177.6	177.6	0	0	0	0	111.2	D374 E379 K380 S381	D374-S377 WeakPolarHBondContact O-CB 3.35Å; D374-S377 PolarHBondContact O-N 3.2Å; S377-E379 PolarHBondContact O-N 3.04Å; S377-K380 PolarHBondContact O-N 3.02Å; S377-S381 WeakPolarHBondContact O-CB 3.47Å; S377-S381 PolarHBondContact O-N 3.31Å
378	P	93.1	Very high	94.1	Very high	71 Å²	71	41.4 Å²	41.4	46%	0.461	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.8	179.5	-24.1	32.7	0	0	0	114.8	Y395	P378-Y395 HydrophobicContact CB-CD1 3.68Å; P378-Y395 HydrophobicContact CB-CE1 3.73Å; P378-Y395 HydrophobicContact CB-CG 4.24Å; P378-Y395 HydrophobicContact CG-CD1 3.83Å; P378-Y395 HydrophobicContact CG-CD2 4.09Å; P378-Y395 HydrophobicContact CG-CE1 3.7Å; P378-Y395 HydrophobicContact CG-CE2 3.97Å; P378-Y395 HydrophobicContact CG-CG 4.04Å
379	E	92.4	Very high	92.4	Very high	171 Å²	171	43.2 Å²	43.2	80%	0.799	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-30.8	-177.6	-60.4	-179.8	165.6	0	0	112.7	S377	S377-E379 PolarHBondContact O-N 3.04Å
380	K	94.9	Very high	90.5	Very high	103 Å²	103	40.9 Å²	40.9	45%	0.448	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-25.6	-170.6	-58.4	-174.7	-179.7	-177.9	0	114.8	D374 S377 K382	D374-K380 HydrophobicContact CB-CB 3.86Å; D374-K380 HydrophobicContact CB-CD 4.43Å; D374-K380 VanDerWaalsContact OD1-CD 3.24Å; D374-K380 WeakPolarHBondContact OD1-CD 3.44Å; D374-K380 IonicContact OD1-NZ 2.81Å; S377-K380 PolarHBondContact O-N 3.02Å; K380-K382 PolarHBondContact O-N 3.4Å
381	S	95.4	Very high	89	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	25%	0.254	C	S	.	.			trans	-60.7	131.9	-172.9	-154.9	0	0	0	0	111.1	D374 L375 S377 L394	D374-S381 WeakPolarHBondContact O-CA 3.5Å; D374-S381 WeakPolarHBondContact O-CB 3.31Å; D374-S381 PolarHBondContact O-N 2.98Å; D374-S381 PolarHBondContact O-OG 2.97Å; L375-S381 WeakPolarHBondContact CA-OG 3.37Å; L375-S381 PolarHBondContact O-OG 3.48Å; S377-S381 WeakPolarHBondContact O-CB 3.47Å; S377-S381 PolarHBondContact O-N 3.31Å; S381-L394 WeakPolarHBondContact CB-O 3.32Å; S381-L394 PolarHBondContact OG-O 3.32Å
382	K	94.3	Very high	87.4	Confident	51 Å²	51	46.9 Å²	46.9	22%	0.222	26%	0.264	C	S	.	.			trans	-123.4	92.1	175.5	-60.3	-59.5	150.2	-154.6	0	110.1	A126 C127 T130 K380 P384 D392	A126-K382 CarbonylContact C-O 3.56Å; A126-K382 WeakPolarHBondContact CA-O 3.49Å; C127-K382 HydrophobicContact CB-CB 4.33Å; C127-K382 PolarHBondContact N-O 3.01Å; T130-K382 PolarHBondContact OG1-N 3.11Å; K380-K382 PolarHBondContact O-N 3.4Å; K382-P384 WeakPolarHBondContact O-CD 3.45Å; K382-D392 IonicContact NZ-OD2 3.83Å; K382-D392 PolarHBondContact NZ-OD2 3.02Å
383	L	93.8	Very high	86.3	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	28%	0.283	C	S	.	.			trans	-113.1	42.7	175.9	-63.2	175.9	0	0	0	113.4	G125 A126 T130 L245 L375 G385 I386 L394 V396	G125-L383 CarbonylContact O-C 3.58Å; G125-L383 VanDerWaalsContact O-CA 3.3Å; G125-L383 WeakPolarHBondContact O-CA 3.48Å; A126-L383 HydrophobicContact CB-CD2 3.85Å; T130-L383 HydrophobicContact CG2-CD2 4.35Å; L245-L383 HydrophobicContact CD2-CD1 4.13Å; L375-L383 HydrophobicContact CD1-CD1 3.97Å; L375-L383 HydrophobicContact CD1-CD2 3.84Å; L375-L383 HydrophobicContact CD1-CG 4.25Å; L383-G385 PolarHBondContact O-N 2.82Å; L383-G385 VanDerWaalsContact O-N 3.1Å; L383-I386 HydrophobicContact CB-CD1 4.15Å; L383-I386 HydrophobicContact CB-CG1 4.28Å; L383-I386 HydrophobicContact CD1-CD1 4.31Å; L383-I386 HydrophobicContact CD2-CD1 4.22Å; L383-I386 HydrophobicContact CG-CD1 4.47Å; L383-I386 PolarHBondContact O-N 2.87Å; L383-L394 HydrophobicContact CB-CD2 3.84Å; L383-L394 HydrophobicContact CB-CG 4.2Å; L383-L394 HydrophobicContact CD1-CD2 4.16Å; L383-L394 HydrophobicContact CD1-CG 4.04Å; L383-V396 HydrophobicContact CD1-CG2 4.35Å
384	P	92.3	Very high	86	Confident	40 Å²	40	47.8 Å²	47.8	26%	0.26	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.2	-171.4	32.4	-39	0	0	0	113.8	M52 G125 C127 K382 I386 V387	M52-P384 HydrophobicContact CE-CB 4.24Å; M52-P384 HydrophobicContact CE-CG 4.45Å; M52-P384 HydrophobicContact SD-CB 4Å; M52-P384 HydrophobicContact SD-CG 4.01Å; G125-P384 WeakPolarHBondContact O-CD 3.46Å; C127-P384 HydrophobicContact CB-CG 4Å; C127-P384 WeakPolarHBondContact SG-CG 3.43Å; K382-P384 WeakPolarHBondContact O-CD 3.45Å; P384-I386 PolarHBondContact O-N 2.83Å; P384-V387 VanDerWaalsContact O-O 3.13Å
385	G	91.4	Very high	85.8	Confident	5 Å²	5	48.8 Å²	48.8	5%	0.052	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.9	171.9	0	0	0	0	0	113.8	G125 N187 Y190 L383	G125-G385 PolarHBondContact O-N 2.95Å; N187-G385 WeakPolarHBondContact CB-O 3.26Å; N187-G385 PolarHBondContact ND2-O 3.2Å; Y190-G385 VanDerWaalsContact CB-O 3.31Å; Y190-G385 WeakPolarHBondContact CB-O 3.34Å; L383-G385 PolarHBondContact O-N 2.82Å; L383-G385 VanDerWaalsContact O-N 3.1Å
386	I	91.9	Very high	85.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-33.5	-176.2	-51	-169.9	0	0	0	112.2	F186 N187 Y190 L202 L383 P384 L394	F186-I386 CarbonylContact C-O 3.59Å; F186-I386 WeakPolarHBondContact CA-O 3.19Å; F186-I386 HydrophobicContact CD1-CG2 4.14Å; N187-I386 PolarHBondContact N-O 3.01Å; Y190-I386 HydrophobicContact CD1-CG2 4.22Å; Y190-I386 HydrophobicContact CD2-CG1 4.01Å; Y190-I386 HydrophobicContact CE1-CG1 4.47Å; Y190-I386 HydrophobicContact CE1-CG2 4.06Å; Y190-I386 HydrophobicContact CE2-CD1 4.03Å; Y190-I386 HydrophobicContact CE2-CG1 3.78Å; Y190-I386 HydrophobicContact CG-CG1 4.46Å; L202-I386 HydrophobicContact CD1-CG2 3.8Å; L383-I386 HydrophobicContact CB-CD1 4.15Å; L383-I386 HydrophobicContact CB-CG1 4.28Å; L383-I386 HydrophobicContact CD1-CD1 4.31Å; L383-I386 HydrophobicContact CD2-CD1 4.22Å; L383-I386 HydrophobicContact CG-CD1 4.47Å; L383-I386 PolarHBondContact O-N 2.87Å; P384-I386 PolarHBondContact O-N 2.83Å; I386-L394 HydrophobicContact CB-CD2 3.65Å; I386-L394 HydrophobicContact CD1-CD2 4.38Å; I386-L394 HydrophobicContact CG1-CD2 4.46Å; I386-L394 HydrophobicContact CG2-CD2 3.72Å
387	V	88.6	Confident	85.8	Confident	8 Å²	8	49 Å²	49	5%	0.048	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-107.7	134.9	-179.4	-171.2	0	0	0	0	110.3	T185 P384 L394	T185-V387 WeakPolarHBondContact O-CG1 3.48Å; P384-V387 VanDerWaalsContact O-O 3.13Å; V387-L394 HydrophobicContact CG2-CB 3.88Å; V387-L394 HydrophobicContact CG2-CD2 3.47Å; V387-L394 VanDerWaalsContact CG2-CD2 3.47Å; V387-L394 HydrophobicContact CG2-CG 4.17Å
388	A	74.6	Confident	85.8	Confident	61 Å²	61	49.1 Å²	49.1	50%	0.504	27%	0.271	S	S	.	.	S	Bend	trans	-82.7	-26.2	-178.4	0	0	0	0	0	114.1	T185 G390	T185-A388 HydrophobicContact CG2-CB 4.29Å; T185-A388 PolarHBondContact O-N 3.07Å; A388-G390 PolarHBondContact O-N 2.95Å
389	E	63.2	Low	85.9	Confident	101 Å²	101	45.8 Å²	45.8	47%	0.472	25%	0.25	S	C	.	.	S	Bend	trans	-95.1	24.2	-165.5	-72.6	177.8	-177.3	0	0	115.5	T185 R391	T185-E389 VanDerWaalsContact CB-CD 3.46Å; T185-E389 WeakPolarHBondContact CB-OE1 3.37Å; T185-E389 HydrophobicContact CG2-CG 4.38Å; T185-E389 PolarHBondContact OG1-OE1 2.63Å; E389-R391 HydrophobicContact CB-CG 4.47Å; E389-R391 PolarHBondContact O-N 3.31Å; E389-R391 IonicContact OE2-CZ 2.76Å; E389-R391 IonicContact OE2-NE 3.73Å; E389-R391 IonicContact OE2-NH2 2.74Å; E389-R391 PolarHBondContact OE2-NH2 2.92Å
390	G	57.9	Low	86.1	Confident	70 Å²	70	38 Å²	38	72%	0.722	21%	0.213	S	C	*	.			trans	59.6	24.1	173.2	0	0	0	0	0	115.2	A388	A388-G390 PolarHBondContact O-N 2.95Å
391	R	64.4	Low	86.2	Confident	86 Å²	86	33.1 Å²	33.1	33%	0.325	19%	0.192	S	C	.	.			trans	-86.7	124.5	172.5	-47.8	-169.1	-155.4	161.4	13.3	109.4	S183 E389 D393	S183-R391 VanDerWaalsContact O-CZ 3.26Å; S183-R391 PolarHBondContact O-NH1 2.98Å; S183-R391 PolarHBondContact O-NH2 3.24Å; E389-R391 HydrophobicContact CB-CG 4.47Å; E389-R391 PolarHBondContact O-N 3.31Å; E389-R391 IonicContact OE2-CZ 2.76Å; E389-R391 IonicContact OE2-NE 3.73Å; E389-R391 IonicContact OE2-NH2 2.74Å; E389-R391 PolarHBondContact OE2-NH2 2.92Å; R391-D393 VanDerWaalsContact C-N 3.26Å; R391-D393 WeakPolarHBondContact CB-OD1 3.34Å; R391-D393 PolarHBondContact O-N 3.14Å
392	D	63.8	Low	86.2	Confident	102 Å²	102	34 Å²	34	55%	0.545	20%	0.195	S	C	.	.	S	Bend	trans	-87.7	9.7	-178	-100.8	35	0	0	0	113.1	K382	K382-D392 IonicContact NZ-OD2 3.83Å; K382-D392 PolarHBondContact NZ-OD2 3.02Å
393	D	74.8	Confident	86.1	Confident	72 Å²	72	31.5 Å²	31.5	39%	0.385	19%	0.185	S	C	.	.			trans	-94.4	5.1	-172.8	67.6	-18.4	0	0	0	114.7	R391 Y395	R391-D393 VanDerWaalsContact C-N 3.26Å; R391-D393 WeakPolarHBondContact CB-OD1 3.34Å; R391-D393 PolarHBondContact O-N 3.14Å; D393-Y395 WeakPolarHBondContact O-CD1 3.47Å; D393-Y395 PolarHBondContact O-N 2.94Å
394	L	91.3	Very high	86	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.021	19%	0.186	C	C	.	.			trans	-81.5	105.8	176.1	-176.6	64.6	0	0	0	112	L184 V244 L245 S381 L383 I386 V387	L184-L394 HydrophobicContact CD1-CD1 3.84Å; V244-L394 HydrophobicContact CG1-CD1 3.81Å; L245-L394 HydrophobicContact CB-CD1 3.73Å; L245-L394 HydrophobicContact CD2-CD1 3.91Å; L245-L394 HydrophobicContact CD2-CD2 4.27Å; L245-L394 HydrophobicContact CD2-CG 4.22Å; L245-L394 HydrophobicContact CG-CD1 4.3Å; S381-L394 WeakPolarHBondContact CB-O 3.32Å; S381-L394 PolarHBondContact OG-O 3.32Å; L383-L394 HydrophobicContact CB-CD2 3.84Å; L383-L394 HydrophobicContact CB-CG 4.2Å; L383-L394 HydrophobicContact CD1-CD2 4.16Å; L383-L394 HydrophobicContact CD1-CG 4.04Å; I386-L394 HydrophobicContact CB-CD2 3.65Å; I386-L394 HydrophobicContact CD1-CD2 4.38Å; I386-L394 HydrophobicContact CG1-CD2 4.46Å; I386-L394 HydrophobicContact CG2-CD2 3.72Å; V387-L394 HydrophobicContact CG2-CB 3.88Å; V387-L394 HydrophobicContact CG2-CD2 3.47Å; V387-L394 VanDerWaalsContact CG2-CD2 3.47Å; V387-L394 HydrophobicContact CG2-CG 4.17Å
395	Y	94.9	Very high	86	Confident	38 Å²	38	29.9 Å²	29.9	15%	0.149	17%	0.173	C	C	.	.			trans	-118.4	156.3	167	63.9	-79.4	0	0	0	110.9	L242 V244 L245 P378 D393 S397	L242-Y395 PolarHBondContact O-OH 3.42Å; V244-Y395 HydrophobicContact CB-CE1 4.2Å; V244-Y395 HydrophobicContact CG2-CD1 4.48Å; V244-Y395 HydrophobicContact CG2-CE1 3.63Å; L245-Y395 WeakPolarHBondContact CB-O 3.35Å; P378-Y395 HydrophobicContact CB-CD1 3.68Å; P378-Y395 HydrophobicContact CB-CE1 3.73Å; P378-Y395 HydrophobicContact CB-CG 4.24Å; P378-Y395 HydrophobicContact CG-CD1 3.83Å; P378-Y395 HydrophobicContact CG-CD2 4.09Å; P378-Y395 HydrophobicContact CG-CE1 3.7Å; P378-Y395 HydrophobicContact CG-CE2 3.97Å; P378-Y395 HydrophobicContact CG-CG 4.04Å; D393-Y395 WeakPolarHBondContact O-CD1 3.47Å; D393-Y395 PolarHBondContact O-N 2.94Å; Y395-S397 PolarHBondContact O-N 3.49Å
396	V	96.3	Very high	86	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.183	C	C	.	.			trans	-74.1	115.9	168.5	178.4	0	0	0	0	107.9	T122 L245 L375 F376 L383 D398 A399	T122-V396 HydrophobicContact CG2-CG2 4.28Å; L245-V396 HydrophobicContact CD2-CG2 3.97Å; L375-V396 HydrophobicContact CD1-CG2 3.79Å; L375-V396 HydrophobicContact CD2-CG2 4.11Å; L375-V396 HydrophobicContact CG-CB 4.15Å; L375-V396 HydrophobicContact CG-CG2 3.72Å; L375-V396 PolarHBondContact O-N 2.94Å; F376-V396 WeakPolarHBondContact CA-O 3.37Å; F376-V396 HydrophobicContact CD1-CB 3.86Å; F376-V396 HydrophobicContact CD1-CG1 3.77Å; F376-V396 WeakPolarHBondContact CD1-O 3.39Å; F376-V396 HydrophobicContact CE1-CB 4.14Å; F376-V396 HydrophobicContact CE1-CG1 3.68Å; L383-V396 HydrophobicContact CD1-CG2 4.35Å; V396-D398 VanDerWaalsContact CG1-O 3.31Å; V396-D398 WeakPolarHBondContact CG1-O 3.45Å; V396-A399 HydrophobicContact CG1-CB 4.45Å
397	S	96.3	Very high	86.1	Confident	14 Å²	14	32.4 Å²	32.4	10%	0.098	18%	0.184	C	C	.	.			trans	-72.6	-44.9	179.5	-49.3	0	0	0	0	110.9	V244 L245 K364 Y395	V244-S397 PolarHBondContact N-OG 3.29Å; L245-S397 PolarHBondContact N-OG 2.77Å; L245-S397 PolarHBondContact O-N 3.49Å; K364-S397 PolarHBondContact NZ-O 2.8Å; Y395-S397 PolarHBondContact O-N 3.49Å
398	D	96.1	Very high	86.3	Confident	27 Å²	27	32.7 Å²	32.7	14%	0.144	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	164.5	171.8	-150.8	-25.6	0	0	0	111	V246 L247 S362 V396 F400	V246-D398 WeakPolarHBondContact CA-O 3.29Å; L247-D398 PolarHBondContact N-O 2.99Å; L247-D398 VanDerWaalsContact N-O 3.15Å; S362-D398 WeakPolarHBondContact CB-OD1 3.37Å; S362-D398 PolarHBondContact OG-OD1 3.44Å; V396-D398 VanDerWaalsContact CG1-O 3.31Å; V396-D398 WeakPolarHBondContact CG1-O 3.45Å; D398-F400 HydrophobicContact CB-CE1 4.48Å; D398-F400 HydrophobicContact CB-CE2 3.82Å; D398-F400 HydrophobicContact CB-CZ 3.73Å; D398-F400 WeakPolarHBondContact OD2-CZ 3.41Å
399	A	96.2	Very high	87.3	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	111	176.2	0	0	0	0	0	110.3	F119 L247 L363 F376 V396	F119-A399 HydrophobicContact CE2-CB 4.14Å; F119-A399 HydrophobicContact CZ-CB 3.59Å; L247-A399 HydrophobicContact CB-CB 3.88Å; L247-A399 HydrophobicContact CD2-CB 4.24Å; L247-A399 HydrophobicContact CG-CB 4.48Å; L247-A399 CarbonylContact O-C 3.53Å; L247-A399 VanDerWaalsContact O-CA 3.31Å; L247-A399 WeakPolarHBondContact O-CA 3.24Å; L363-A399 HydrophobicContact CB-CB 4.29Å; L363-A399 WeakPolarHBondContact CB-O 3.39Å; L363-A399 HydrophobicContact CD1-CB 4.31Å; L363-A399 WeakPolarHBondContact CG-O 3.22Å; L363-A399 PolarHBondContact N-O 3.23Å; F376-A399 HydrophobicContact CE1-CB 4.38Å; V396-A399 HydrophobicContact CG1-CB 4.45Å
400	F	96.5	Very high	88.6	Confident	7 Å²	7	30.1 Å²	30.1	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.6	-175.6	-58.9	-77.1	0	0	0	111.7	V233 I234 A238 I239 V246 L247 N249 D398	V233-F400 HydrophobicContact CG2-CB 4.01Å; I234-F400 HydrophobicContact CD1-CD2 3.81Å; I234-F400 HydrophobicContact CD1-CE2 3.88Å; I234-F400 HydrophobicContact CG1-CD2 3.66Å; I234-F400 HydrophobicContact CG1-CE2 3.96Å; I234-F400 HydrophobicContact CG1-CG 4.16Å; I234-F400 HydrophobicContact CG2-CE2 4.07Å; I234-F400 HydrophobicContact CG2-CZ 4.16Å; A238-F400 HydrophobicContact CB-CE1 4.1Å; A238-F400 HydrophobicContact CB-CZ 3.92Å; I239-F400 HydrophobicContact CG2-CE2 4.25Å; V246-F400 HydrophobicContact CG1-CD2 3.54Å; V246-F400 HydrophobicContact CG1-CE2 3.6Å; L247-F400 PolarHBondContact O-N 3.04Å; N249-F400 PolarHBondContact N-O 3.24Å; D398-F400 HydrophobicContact CB-CE1 4.48Å; D398-F400 HydrophobicContact CB-CE2 3.82Å; D398-F400 HydrophobicContact CB-CZ 3.73Å; D398-F400 WeakPolarHBondContact OD2-CZ 3.41Å
401	H	96.3	Very high	89.8	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.6	166.3	-168.7	45.9	0	0	0	110.5	S111 V115 N249 G360 F361 L363	S111-H401 PolarHBondContact N-NE2 3.03Å; V115-H401 HydrophobicContact CG2-CB 4.48Å; N249-H401 CarbonylContact O-C 3.56Å; N249-H401 VanDerWaalsContact O-CA 3.29Å; N249-H401 WeakPolarHBondContact O-CA 3.03Å; N249-H401 PolarHBondContact O-ND1 3.22Å; N249-H401 VanDerWaalsContact O-ND1 3.14Å; N249-H401 PolarHBondContact OD1-CE1 3.08Å; N249-H401 PolarHBondContact OD1-ND1 3.42Å; G360-H401 CarbonylContact C-O 3.38Å; G360-H401 VanDerWaalsContact CA-O 3.26Å; G360-H401 WeakPolarHBondContact CA-O 3.25Å; F361-H401 HydrophobicContact CE2-CB 4.43Å; F361-H401 HydrophobicContact CZ-CB 4.48Å; F361-H401 AromaticContact CZ-CD2 3.9Å; F361-H401 PolarHBondContact N-O 3.47Å; F361-H401 PolarHBondContact O-N 3.03Å; L363-H401 HydrophobicContact CD1-CB 4.08Å; L363-H401 HydrophobicContact CD2-CB 3.74Å; L363-H401 HydrophobicContact CG-CB 3.96Å
402	K	95	Very high	89.5	Confident	20 Å²	20	26 Å²	26	9%	0.087	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	117.4	165.8	-168.1	165.2	-179.5	-174.5	0	111	I230 T231 D232 V233 N249 T250 I251 E358 D359	I230-K402 HydrophobicContact CG2-CB 4.18Å; I230-K402 HydrophobicContact CG2-CD 3.76Å; I230-K402 HydrophobicContact CG2-CG 3.87Å; T231-K402 PolarHBondContact O-NZ 3.31Å; D232-K402 PolarHBondContact O-NZ 2.85Å; D232-K402 VanDerWaalsContact O-NZ 3.12Å; V233-K402 HydrophobicContact CB-CB 4.22Å; V233-K402 HydrophobicContact CB-CD 4.28Å; V233-K402 HydrophobicContact CG2-CB 3.85Å; N249-K402 PolarHBondContact O-N 2.99Å; T250-K402 VanDerWaalsContact CA-O 3.27Å; T250-K402 WeakPolarHBondContact CA-O 3.25Å; T250-K402 HydrophobicContact CG2-CB 4.12Å; I251-K402 PolarHBondContact N-O 3.49Å; E358-K402 WeakPolarHBondContact OE1-CE 3.49Å; E358-K402 IonicContact OE1-NZ 2.7Å; E358-K402 PolarHBondContact OE1-NZ 3.36Å; D359-K402 CarbonylContact O-C 3.58Å; D359-K402 VanDerWaalsContact O-CA 3.3Å; D359-K402 WeakPolarHBondContact O-CA 3.5Å; D359-K402 WeakPolarHBondContact O-CG 3.5Å
403	A	92.7	Very high	89	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.1	-176	0	0	0	0	0	111.4	F109 I251 D359	F109-A403 HydrophobicContact CD1-CB 3.59Å; F109-A403 HydrophobicContact CE1-CB 3.99Å; I251-A403 HydrophobicContact CG2-CB 3.97Å; I251-A403 CarbonylContact O-C 3.59Å; I251-A403 WeakPolarHBondContact O-CA 3.4Å; D359-A403 PolarHBondContact N-O 3.36Å; D359-A403 PolarHBondContact O-N 3.23Å
404	F	91.6	Very high	87.5	Confident	10 Å²	10	27 Å²	27	4%	0.044	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.1	-175.9	-166.7	-62	0	0	0	111	R229 I230 I251 Y252 F253 R356 I357 E358 E406	R229-F404 WeakPolarHBondContact O-CE2 3.34Å; I230-F404 HydrophobicContact CD1-CB 4.24Å; I230-F404 HydrophobicContact CG1-CB 4.32Å; I251-F404 PolarHBondContact O-N 2.94Å; Y252-F404 HydrophobicContact CD2-CB 3.93Å; Y252-F404 AromaticContact CD2-CD1 3.32Å; Y252-F404 HydrophobicContact CD2-CD1 3.32Å; Y252-F404 HydrophobicContact CD2-CD2 4.38Å; Y252-F404 AromaticContact CD2-CE1 3.82Å; Y252-F404 HydrophobicContact CD2-CE1 3.82Å; Y252-F404 AromaticContact CD2-CG 3.66Å; Y252-F404 HydrophobicContact CD2-CG 3.66Å; Y252-F404 HydrophobicContact CD2-CZ 4.47Å; Y252-F404 AromaticContact CE2-CD1 3.47Å; Y252-F404 HydrophobicContact CE2-CD1 3.47Å; Y252-F404 VanDerWaalsContact CE2-CD1 3.47Å; Y252-F404 AromaticContact CE2-CE1 3.5Å; Y252-F404 HydrophobicContact CE2-CE1 3.5Å; Y252-F404 VanDerWaalsContact CE2-CE1 3.5Å; Y252-F404 HydrophobicContact CE2-CG 4.23Å; Y252-F404 HydrophobicContact CE2-CZ 4.22Å; F253-F404 PolarHBondContact N-O 2.96Å; R356-F404 VanDerWaalsContact CD-CZ 3.42Å; R356-F404 HydrophobicContact CG-CE1 3.9Å; R356-F404 HydrophobicContact CG-CE2 4.42Å; R356-F404 HydrophobicContact CG-CZ 3.77Å; I357-F404 CarbonylContact O-C 3.55Å; I357-F404 WeakPolarHBondContact O-CA 3.37Å; E358-F404 HydrophobicContact CB-CD2 4.01Å; E358-F404 HydrophobicContact CB-CE2 4.39Å; E358-F404 HydrophobicContact CG-CD2 3.94Å; E358-F404 HydrophobicContact CG-CE2 4.5Å; E358-F404 WeakPolarHBondContact OE2-CE2 3.44Å; F404-E406 HydrophobicContact CE1-CB 4.15Å
405	L	91.6	Very high	85.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.5	173	-179.3	54	0	0	0	110.7	F109 F253 M313 F355 R356 I357 V407 V442 I444	F109-L405 HydrophobicContact CD1-CB 3.94Å; F109-L405 HydrophobicContact CD2-CB 4.21Å; F109-L405 HydrophobicContact CD2-CD2 4.08Å; F109-L405 HydrophobicContact CE1-CB 3.66Å; F109-L405 HydrophobicContact CE2-CB 3.94Å; F109-L405 HydrophobicContact CE2-CD2 3.68Å; F109-L405 HydrophobicContact CE2-CG 4.29Å; F109-L405 HydrophobicContact CG-CB 4.21Å; F109-L405 HydrophobicContact CZ-CB 3.65Å; F109-L405 HydrophobicContact CZ-CD1 4.31Å; F109-L405 HydrophobicContact CZ-CD2 4.12Å; F109-L405 HydrophobicContact CZ-CG 4.24Å; F253-L405 HydrophobicContact CD1-CD1 4Å; M313-L405 HydrophobicContact CE-CD1 4.08Å; M313-L405 HydrophobicContact CE-CD2 4.05Å; F355-L405 HydrophobicContact CE2-CD2 3.79Å; F355-L405 HydrophobicContact CE2-CG 4.22Å; F355-L405 HydrophobicContact CZ-CD2 4.33Å; R356-L405 WeakPolarHBondContact CA-O 3.45Å; I357-L405 PolarHBondContact N-O 3.33Å; I357-L405 PolarHBondContact O-N 3.43Å; L405-V407 HydrophobicContact CD1-CG2 3.97Å; L405-V407 HydrophobicContact CD2-CG2 4.21Å; L405-V407 HydrophobicContact CG-CG2 3.98Å; L405-V442 HydrophobicContact CD2-CG2 4.34Å; L405-I444 HydrophobicContact CD1-CD1 3.92Å
406	E	91.6	Very high	82.7	Confident	53 Å²	53	27.7 Å²	27.7	25%	0.248	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119	167.9	-158.4	-176.6	138	0	0	109.5	Y252 F253 K254 F404	Y252-E406 HydrophobicContact CE2-CB 4.47Å; Y252-E406 PolarHBondContact OH-OE2 3.05Å; F253-E406 PolarHBondContact O-N 3.08Å; F253-E406 VanDerWaalsContact O-N 3.17Å; K254-E406 HydrophobicContact CB-CB 4.11Å; K254-E406 HydrophobicContact CD-CB 4.34Å; K254-E406 HydrophobicContact CD-CG 4.37Å; K254-E406 VanDerWaalsContact CE-OE1 3.25Å; K254-E406 WeakPolarHBondContact CE-OE1 3.34Å; K254-E406 HydrophobicContact CG-CB 4.14Å; K254-E406 IonicContact NZ-OE1 2.71Å; K254-E406 PolarHBondContact NZ-OE1 2.97Å; F404-E406 HydrophobicContact CE1-CB 4.15Å
407	V	94.2	Very high	79.9	Confident	6 Å²	6	31.2 Å²	31.2	4%	0.036	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.9	174.5	169.6	0	0	0	0	109.7	W257 M284 M313 M352 R354 F355 L405	W257-V407 HydrophobicContact CZ2-CG1 4.13Å; M284-V407 HydrophobicContact CE-CG1 3.84Å; M313-V407 HydrophobicContact CE-CG2 3.88Å; M313-V407 HydrophobicContact SD-CG2 4.47Å; M352-V407 HydrophobicContact CE-CG1 3.88Å; M352-V407 HydrophobicContact SD-CG1 4.39Å; R354-V407 CarbonylContact C-O 3.56Å; R354-V407 WeakPolarHBondContact CA-O 3.41Å; R354-V407 WeakPolarHBondContact CB-O 3.39Å; F355-V407 HydrophobicContact CD1-CB 4.3Å; F355-V407 HydrophobicContact CD1-CG1 4.47Å; F355-V407 HydrophobicContact CD2-CB 4.4Å; F355-V407 HydrophobicContact CE1-CB 4.02Å; F355-V407 HydrophobicContact CE1-CG1 4.08Å; F355-V407 HydrophobicContact CE1-CG2 4.26Å; F355-V407 HydrophobicContact CE2-CB 4.15Å; F355-V407 HydrophobicContact CE2-CG2 3.94Å; F355-V407 HydrophobicContact CG-CB 4.48Å; F355-V407 HydrophobicContact CZ-CB 3.95Å; F355-V407 HydrophobicContact CZ-CG1 4.38Å; F355-V407 HydrophobicContact CZ-CG2 3.73Å; F355-V407 PolarHBondContact N-O 2.97Å; F355-V407 PolarHBondContact O-N 2.95Å; L405-V407 HydrophobicContact CD1-CG2 3.97Å; L405-V407 HydrophobicContact CD2-CG2 4.21Å; L405-V407 HydrophobicContact CG-CG2 3.98Å
408	N	94.1	Very high	77.4	Confident	14 Å²	14	36.3 Å²	36.3	8%	0.075	22%	0.223	C	C	.	.			trans	-145.2	-168.5	177.6	71.2	8.8	0	0	0	110.5	K254 W257 E410	K254-N408 WeakPolarHBondContact CE-ND2 3.23Å; K254-N408 PolarHBondContact NZ-ND2 2.94Å; W257-N408 PolarHBondContact NE1-O 3.37Å; N408-E410 VanDerWaalsContact C-N 3.32Å; N408-E410 PolarHBondContact ND2-OE2 2.78Å; N408-E410 PolarHBondContact O-N 3.47Å; N408-E410 WeakPolarHBondContact OD1-CB 3.23Å; N408-E410 PolarHBondContact OD1-N 3.26Å
409	E	94.8	Very high	74.7	Confident	15 Å²	15	37 Å²	37	7%	0.07	23%	0.233	C	C	.	.	S	Bend	trans	-74.1	-16.3	-175.2	-62.3	85.3	163.5	0	0	114.5	F261 P263 T266 M284 R354	F261-E409 HydrophobicContact CB-CB 4.08Å; F261-E409 HydrophobicContact CB-CG 4.1Å; F261-E409 PolarHBondContact N-O 3.23Å; F261-E409 VanDerWaalsContact N-O 3.17Å; P263-E409 HydrophobicContact CG-CB 4.19Å; P263-E409 HydrophobicContact CG-CG 4.33Å; T266-E409 WeakPolarHBondContact CB-OE1 3.33Å; T266-E409 WeakPolarHBondContact CG2-OE1 3.42Å; T266-E409 WeakPolarHBondContact OG1-CG 3.21Å; T266-E409 PolarHBondContact OG1-OE1 3.34Å; M284-E409 HydrophobicContact CG-CG 4.08Å; M284-E409 HydrophobicContact SD-CB 4.38Å; M284-E409 HydrophobicContact SD-CG 3.78Å; R354-E409 WeakPolarHBondContact CD-OE1 3.5Å; R354-E409 IonicContact CZ-OE1 2.83Å; R354-E409 IonicContact CZ-OE2 3.22Å; R354-E409 IonicContact NE-OE2 2.68Å; R354-E409 VanDerWaalsContact NH1-CD 3.31Å; R354-E409 IonicContact NH1-OE1 2.78Å; R354-E409 PolarHBondContact NH1-OE1 3.32Å; R354-E409 IonicContact NH1-OE2 3.84Å; R354-E409 PolarHBondContact NH1-OE2 2.84Å
410	E	91.2	Very high	72.1	Confident	92 Å²	92	44.3 Å²	44.3	43%	0.43	27%	0.27	S	S	.	.			trans	-68.7	135.1	-161.7	-64.9	-179.6	115.1	0	0	113.8	K254 L256 W257 N408	K254-E410 WeakPolarHBondContact CE-OE2 3.43Å; K254-E410 IonicContact NZ-OE2 3.64Å; K254-E410 PolarHBondContact NZ-OE2 2.84Å; L256-E410 HydrophobicContact CD2-CB 3.9Å; W257-E410 PolarHBondContact N-O 3.31Å; N408-E410 VanDerWaalsContact C-N 3.32Å; N408-E410 PolarHBondContact ND2-OE2 2.78Å; N408-E410 PolarHBondContact O-N 3.47Å; N408-E410 WeakPolarHBondContact OD1-CB 3.23Å; N408-E410 PolarHBondContact OD1-N 3.26Å
411	G	82.4	Confident	69.5	Low	29 Å²	29	47 Å²	47	30%	0.299	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	177.9	-169.4	-177.8	0	0	0	0	0	114.1	W257	W257-G411 CarbonylContact O-C 3.57Å; W257-G411 VanDerWaalsContact O-CA 3.26Å; W257-G411 WeakPolarHBondContact O-CA 3.47Å
412	S	57.3	Low	66.8	Low	40 Å²	40	55.2 Å²	55.2	28%	0.28	34%	0.342	S	S	.	.			trans	-78.3	132.1	174.3	178.8	0	0	0	0	111.2	W257 K258 K260	W257-S412 PolarHBondContact O-N 2.76Å; K258-S412 WeakPolarHBondContact O-CB 3.43Å; K260-S412 PolarHBondContact N-O 3.43Å
413	E	54.8	Low	64.7	Low	115 Å²	115	58.8 Å²	58.8	54%	0.537	38%	0.375	S	S	.	.	S	Bend	trans	-80.7	-32.4	179.9	179.8	142.5	-139.6	0	0	113.1	K260 A415 A416	K260-E413 HydrophobicContact CD-CB 4.08Å; K260-E413 VanDerWaalsContact CE-CD 3.45Å; K260-E413 VanDerWaalsContact CE-OE1 3.3Å; K260-E413 WeakPolarHBondContact CE-OE1 3.3Å; K260-E413 IonicContact NZ-OE1 2.78Å; K260-E413 PolarHBondContact NZ-OE1 2.97Å; K260-E413 IonicContact NZ-OE2 2.74Å; K260-E413 PolarHBondContact NZ-OE2 3.1Å; E413-A415 PolarHBondContact O-N 2.98Å; E413-A416 PolarHBondContact O-N 3.43Å
414	A	43.3	Very low	62.8	Low	81 Å²	81	61.9 Å²	61.9	67%	0.669	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.6	-169.6	0	0	0	0	0	115.5
415	A	43.1	Very low	61.1	Low	33 Å²	33	74.2 Å²	74.2	27%	0.273	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-21.6	176	0	0	0	0	0	113.7	K258 E413 T418	K258-A415 HydrophobicContact CG-CB 4.41Å; K258-A415 VanDerWaalsContact O-CB 3.3Å; K258-A415 WeakPolarHBondContact O-CB 3.37Å; E413-A415 PolarHBondContact O-N 2.98Å; A415-T418 PolarHBondContact O-OG1 3.33Å
416	A	40.9	Very low	59.5	Low	24 Å²	24	79.1 Å²	79.1	20%	0.198	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-36.4	-177.9	0	0	0	0	0	111.6	E413 T418	E413-A416 PolarHBondContact O-N 3.43Å; A416-T418 VanDerWaalsContact C-N 3.3Å; A416-T418 PolarHBondContact O-N 3.29Å
417	S	39	Very low	58	Low	75 Å²	75	82.6 Å²	82.6	52%	0.524	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-67.6	-24.8	-176.7	-49	0	0	0	0	114.3	A419 I420	S417-A419 PolarHBondContact O-N 3.29Å; S417-I420 PolarHBondContact O-N 3.05Å
418	T	42.8	Very low	56.9	Low	121 Å²	121	86.7 Å²	86.7	74%	0.742	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-73	-7.2	-175.8	35.2	0	0	0	0	115.2	A415 A416	A415-T418 PolarHBondContact O-OG1 3.33Å; A416-T418 VanDerWaalsContact C-N 3.3Å; A416-T418 PolarHBondContact O-N 3.29Å
419	A	40.1	Very low	55.6	Low	42 Å²	42	91.6 Å²	91.6	35%	0.347	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-83.6	-20.3	177	0	0	0	0	0	114	S417 G421	S417-A419 PolarHBondContact O-N 3.29Å; A419-G421 PolarHBondContact O-N 3.04Å
420	I	40.9	Very low	54.7	Low	153 Å²	153	97.6 Å²	97.6	79%	0.785	59%	0.594	S	S	*	*			trans	-86.5	41.3	-170	-37.9	-177	0	0	0	111.9	S417 I422	S417-I420 PolarHBondContact O-N 3.05Å; I420-I422 PolarHBondContact O-N 2.98Å
421	G	41.8	Very low	54.5	Low	62 Å²	62	96.8 Å²	96.8	64%	0.639	59%	0.587	S	S	*	*	S	Bend	trans	-91.6	85.8	-176.5	0	0	0	0	0	113.6	A419 A423	A419-G421 PolarHBondContact O-N 3.04Å; G421-A423 PolarHBondContact O-N 3.08Å
422	I	40.8	Very low	55.1	Low	175 Å²	175	97.2 Å²	97.2	90%	0.897	58%	0.584	S	S	*	*			trans	43.7	57.1	167.1	-40.9	-178.8	0	0	0	114	I420	I420-I422 PolarHBondContact O-N 2.98Å
423	A	50	Low	56.9	Low	94 Å²	94	97.9 Å²	97.9	78%	0.777	59%	0.586	S	S	*	*			trans	-73.9	145.2	166.3	0	0	0	0	0	111	G421	G421-A423 PolarHBondContact O-N 3.08Å
424	G	53	Low	59	Low	66 Å²	66	92.4 Å²	92.4	68%	0.68	56%	0.561	S	S	*	*			trans	-63	152.7	171.9	0	0	0	0	0	111.8	S426	G424-S426 PolarHBondContact O-N 3.25Å
425	R	55.9	Low	61.6	Low	269 Å²	269	91.3 Å²	91.3	100%	1.015	54%	0.541	S	S	*	.	S	Bend	trans	-68.7	17.7	-173.3	-63	-175.6	178.2	179.3	-0.8	115.9
426	S	57.8	Low	64.2	Low	102 Å²	102	89.7 Å²	89.7	71%	0.713	53%	0.528	S	S	*	.	S	Bend	trans	-116.6	135	177.6	-168.5	0	0	0	0	110	G424 N428	G424-S426 PolarHBondContact O-N 3.25Å; S426-N428 PolarHBondContact O-N 3.05Å
427	L	61.1	Low	66.9	Low	126 Å²	126	89.5 Å²	89.5	66%	0.66	52%	0.523	S	S	*	.			trans	-62.6	125.5	167.7	-71.1	170.1	0	0	0	108.7	P429	L427-P429 VanDerWaalsContact O-CD 3.28Å; L427-P429 WeakPolarHBondContact O-CD 3.24Å
428	N	69.9	Low	69.7	Low	93 Å²	93	87.9 Å²	87.9	50%	0.497	51%	0.506	S	S	.	.			trans	-65.7	115.4	172.9	177.9	3.8	0	0	0	108.9	S426 N430 R431	S426-N428 PolarHBondContact O-N 3.05Å; N428-N430 PolarHBondContact O-N 3.45Å; N428-N430 WeakPolarHBondContact OD1-CB 3.33Å; N428-N430 PolarHBondContact OD1-N 3.42Å; N428-R431 HydrophobicContact CB-CB 4.36Å; N428-R431 WeakPolarHBondContact O-CB 3.39Å; N428-R431 WeakPolarHBondContact O-CG 3.12Å; N428-R431 PolarHBondContact O-N 2.9Å
429	P	67.6	Low	72.3	Confident	117 Å²	117	82.8 Å²	82.8	76%	0.76	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.1	-179.3	28.5	-35.6	0	0	0	112.3	L427 R431	L427-P429 VanDerWaalsContact O-CD 3.28Å; L427-P429 WeakPolarHBondContact O-CD 3.24Å; P429-R431 VanDerWaalsContact C-N 3.34Å
430	N	76.1	Confident	75.1	Confident	140 Å²	140	80.8 Å²	80.8	75%	0.749	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	15.5	-179.1	-58.3	-20.7	0	0	0	112.6	N428 V432	N428-N430 PolarHBondContact O-N 3.45Å; N428-N430 WeakPolarHBondContact OD1-CB 3.33Å; N428-N430 PolarHBondContact OD1-N 3.42Å; N430-V432 PolarHBondContact O-N 3.05Å
431	R	86.1	Confident	77.8	Confident	75 Å²	75	73.5 Å²	73.5	28%	0.283	42%	0.421	S	S	.	.			trans	-69.4	129.4	179.5	72.4	-174.1	-176.5	149.2	1.7	111.4	Y285 E287 V349 N428 P429 T433	Y285-R431 PolarHBondContact OH-NH1 3.02Å; E287-R431 IonicContact OE2-NH1 3.91Å; E287-R431 PolarHBondContact OE2-NH1 2.96Å; E287-R431 VanDerWaalsContact OE2-NH1 3.15Å; V349-R431 HydrophobicContact CG2-CG 4.28Å; V349-R431 VanDerWaalsContact CG2-NH1 3.33Å; N428-R431 HydrophobicContact CB-CB 4.36Å; N428-R431 WeakPolarHBondContact O-CB 3.39Å; N428-R431 WeakPolarHBondContact O-CG 3.12Å; N428-R431 PolarHBondContact O-N 2.9Å; P429-R431 VanDerWaalsContact C-N 3.34Å; R431-T433 PolarHBondContact O-N 3.35Å
432	V	93.9	Very high	80.4	Confident	39 Å²	39	70.6 Å²	70.6	24%	0.236	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	134.8	174.5	175.6	0	0	0	0	109.3	Y292 M346 L348 V349 N430	Y292-V432 HydrophobicContact CD1-CG1 4.34Å; Y292-V432 HydrophobicContact CE1-CG1 3.81Å; Y292-V432 HydrophobicContact CE2-CG1 4.24Å; M346-V432 HydrophobicContact CE-CB 4.26Å; M346-V432 HydrophobicContact CE-CG2 3.56Å; M346-V432 HydrophobicContact SD-CG2 4.27Å; L348-V432 WeakPolarHBondContact CA-O 3.37Å; L348-V432 HydrophobicContact CB-CB 3.94Å; L348-V432 HydrophobicContact CB-CG1 3.88Å; L348-V432 WeakPolarHBondContact CB-O 3.46Å; V349-V432 PolarHBondContact N-O 3.09Å; N430-V432 PolarHBondContact O-N 3.05Å
433	T	96.1	Very high	83.1	Confident	53 Å²	53	62.5 Å²	62.5	33%	0.325	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.8	178.3	-57.3	0	0	0	0	109.5	Q300 V349 R431 K435	Q300-T433 PolarHBondContact NE2-O 3.42Å; V349-T433 HydrophobicContact CB-CG2 4.36Å; V349-T433 WeakPolarHBondContact O-CA 3.16Å; R431-T433 PolarHBondContact O-N 3.35Å; T433-K435 HydrophobicContact CG2-CB 4.31Å
434	F	98.2	Very high	85.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.1	164.7	-174.1	-87.4	0	0	0	107.6	Y292 Q300 L302 L315 L317 L348 V349 V350 H351 A436	Y292-F434 HydrophobicContact CE2-CD2 4.21Å; Q300-F434 HydrophobicContact CB-CD2 3.81Å; Q300-F434 HydrophobicContact CB-CE2 3.85Å; L302-F434 HydrophobicContact CB-CD1 4.5Å; L302-F434 HydrophobicContact CB-CD2 3.78Å; L302-F434 HydrophobicContact CB-CE1 4.42Å; L302-F434 HydrophobicContact CB-CE2 3.7Å; L302-F434 HydrophobicContact CB-CG 4.19Å; L302-F434 HydrophobicContact CB-CZ 4.05Å; L302-F434 HydrophobicContact CD2-CB 3.96Å; L302-F434 HydrophobicContact CD2-CD1 3.47Å; L302-F434 VanDerWaalsContact CD2-CD1 3.47Å; L302-F434 HydrophobicContact CD2-CD2 4.06Å; L302-F434 HydrophobicContact CD2-CE1 3.88Å; L302-F434 HydrophobicContact CD2-CE2 4.42Å; L302-F434 HydrophobicContact CD2-CG 3.57Å; L302-F434 HydrophobicContact CD2-CZ 4.34Å; L315-F434 HydrophobicContact CB-CE1 4.05Å; L315-F434 HydrophobicContact CB-CZ 3.57Å; L315-F434 HydrophobicContact CD1-CE1 3.74Å; L315-F434 HydrophobicContact CD1-CZ 4.16Å; L317-F434 HydrophobicContact CB-CE2 3.61Å; L317-F434 HydrophobicContact CB-CZ 3.58Å; L317-F434 HydrophobicContact CD2-CD1 4.36Å; L317-F434 HydrophobicContact CD2-CD2 4.09Å; L317-F434 HydrophobicContact CD2-CE1 4.1Å; L317-F434 HydrophobicContact CD2-CE2 3.8Å; L317-F434 HydrophobicContact CD2-CG 4.36Å; L317-F434 HydrophobicContact CD2-CZ 3.8Å; L317-F434 HydrophobicContact CG-CE2 4.37Å; L317-F434 HydrophobicContact CG-CZ 4.31Å; L348-F434 HydrophobicContact CD1-CB 3.62Å; V349-F434 PolarHBondContact O-N 3.43Å; V350-F434 HydrophobicContact CG1-CD1 4.48Å; H351-F434 PolarHBondContact N-O 3.21Å; F434-A436 HydrophobicContact CE1-CB 3.9Å
435	K	98.2	Very high	87.2	Confident	58 Å²	58	55.5 Å²	55.5	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	97.2	-176.8	179	160.6	-174.4	166.7	0	110.7	E269 L317 H351 T433 N437 R438	E269-K435 WeakPolarHBondContact OE2-CE 3.2Å; E269-K435 IonicContact OE2-NZ 2.79Å; E269-K435 PolarHBondContact OE2-NZ 3.11Å; L317-K435 WeakPolarHBondContact CD2-O 3.17Å; H351-K435 HydrophobicContact CB-CB 4.22Å; H351-K435 HydrophobicContact CB-CD 4.39Å; H351-K435 HydrophobicContact CB-CG 3.94Å; T433-K435 HydrophobicContact CG2-CB 4.31Å; K435-N437 HydrophobicContact CG-CB 4.02Å; K435-N437 PolarHBondContact O-N 2.84Å; K435-N437 PolarHBondContact O-OD1 3.38Å; K435-R438 PolarHBondContact O-NH1 3.49Å; K435-R438 VanDerWaalsContact O-NH1 3.09Å
436	A	98.3	Very high	88.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.			trans	-81.9	55.5	-178.5	0	0	0	0	0	111.9	F271 L317 H351 P353 F434 F440	F271-A436 WeakPolarHBondContact CE2-O 3.33Å; L317-A436 HydrophobicContact CD1-CB 4.5Å; H351-A436 PolarHBondContact O-N 3.03Å; P353-A436 VanDerWaalsContact CD-O 3.3Å; P353-A436 WeakPolarHBondContact CD-O 3.36Å; F434-A436 HydrophobicContact CE1-CB 3.9Å; A436-F440 HydrophobicContact CB-CD1 3.82Å; A436-F440 HydrophobicContact CB-CE1 3.83Å; A436-F440 HydrophobicContact CB-CG 4.29Å; A436-F440 HydrophobicContact CB-CZ 4.3Å
437	N	97.8	Very high	90.5	Very high	20 Å²	20	39.8 Å²	39.8	11%	0.107	21%	0.212	C	C	.	.			trans	-99.9	26	178.2	77.5	-38.9	0	0	0	113.2	F271 Y272 M283 K435	F271-N437 CarbonylContact C-O 3.43Å; F271-N437 WeakPolarHBondContact CA-O 3.29Å; F271-N437 VanDerWaalsContact CD2-C 3.46Å; Y272-N437 WeakPolarHBondContact CD2-O 3.4Å; Y272-N437 VanDerWaalsContact CE2-ND2 3.34Å; Y272-N437 WeakPolarHBondContact CE2-ND2 3.31Å; Y272-N437 PolarHBondContact N-O 2.72Å; M283-N437 HydrophobicContact CE-CB 3.94Å; K435-N437 HydrophobicContact CG-CB 4.02Å; K435-N437 PolarHBondContact O-N 2.84Å; K435-N437 PolarHBondContact O-OD1 3.38Å
438	R	97.6	Very high	91.8	Very high	40 Å²	40	36 Å²	36	15%	0.151	20%	0.195	C	C	.	.	S	Bend	trans	-157.6	161.6	177	66	-172	172.1	-71.8	-2.9	107.9	Y272 L317 P318 K435 F440	Y272-R438 WeakPolarHBondContact O-CA 3.46Å; L317-R438 HydrophobicContact CD1-CG 3.86Å; P318-R438 VanDerWaalsContact O-CZ 3.3Å; P318-R438 PolarHBondContact O-NE 3.23Å; P318-R438 PolarHBondContact O-NH2 2.91Å; K435-R438 PolarHBondContact O-NH1 3.49Å; K435-R438 VanDerWaalsContact O-NH1 3.09Å; R438-F440 WeakPolarHBondContact O-CD1 3.47Å; R438-F440 PolarHBondContact O-N 3.35Å
439	P	97.8	Very high	92.5	Very high	15 Å²	15	31.7 Å²	31.7	10%	0.097	17%	0.172	C	C	.	.			trans	-45.3	135.8	-176	-32.7	33.3	0	0	0	115.5	F271 Y272 A274 L324 V458	F271-P439 HydrophobicContact CE1-CG 4.42Å; Y272-P439 WeakPolarHBondContact O-CD 3.43Å; A274-P439 HydrophobicContact CB-CG 4.12Å; L324-P439 HydrophobicContact CB-CB 4.3Å; L324-P439 HydrophobicContact CD2-CB 3.81Å; P439-V458 WeakPolarHBondContact CA-O 3.04Å
440	F	98	Very high	93.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155	-179.4	61.4	-84.4	0	0	0	111.4	F271 L315 I316 L317 P353 F355 A436 R438 V442 V458	F271-F440 HydrophobicContact CE2-CD1 4.32Å; F271-F440 HydrophobicContact CE2-CE1 4.05Å; L315-F440 HydrophobicContact CD2-CD2 4.12Å; L315-F440 HydrophobicContact CD2-CE2 3.92Å; I316-F440 WeakPolarHBondContact O-CA 3.49Å; I316-F440 WeakPolarHBondContact O-CB 3.44Å; L317-F440 HydrophobicContact CB-CB 4.42Å; L317-F440 HydrophobicContact CD1-CB 4.01Å; P353-F440 HydrophobicContact CG-CE1 3.95Å; P353-F440 HydrophobicContact CG-CZ 4.08Å; F355-F440 HydrophobicContact CE1-CE2 4.43Å; F355-F440 AromaticContact CE1-CZ 3.85Å; F355-F440 HydrophobicContact CE1-CZ 3.85Å; F355-F440 HydrophobicContact CZ-CZ 4.31Å; A436-F440 HydrophobicContact CB-CD1 3.82Å; A436-F440 HydrophobicContact CB-CE1 3.83Å; A436-F440 HydrophobicContact CB-CG 4.29Å; A436-F440 HydrophobicContact CB-CZ 4.3Å; R438-F440 WeakPolarHBondContact O-CD1 3.47Å; R438-F440 PolarHBondContact O-N 3.35Å; F440-V442 HydrophobicContact CD2-CG1 3.83Å; F440-V442 HydrophobicContact CE2-CG1 3.52Å; F440-V458 HydrophobicContact CD1-CB 4.06Å; F440-V458 HydrophobicContact CD1-CG1 4.46Å; F440-V458 HydrophobicContact CD2-CB 4.28Å; F440-V458 HydrophobicContact CD2-CG2 4.19Å; F440-V458 HydrophobicContact CE1-CB 3.69Å; F440-V458 HydrophobicContact CE1-CG1 3.7Å; F440-V458 HydrophobicContact CE1-CG2 4.27Å; F440-V458 HydrophobicContact CE2-CB 3.92Å; F440-V458 HydrophobicContact CE2-CG1 4.49Å; F440-V458 HydrophobicContact CE2-CG2 3.62Å; F440-V458 HydrophobicContact CG-CB 4.36Å; F440-V458 HydrophobicContact CZ-CB 3.62Å; F440-V458 HydrophobicContact CZ-CG1 3.72Å; F440-V458 HydrophobicContact CZ-CG2 3.67Å; F440-V458 PolarHBondContact N-O 3.37Å; F440-V458 PolarHBondContact O-N 2.99Å
441	L	97.9	Very high	94.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	147.7	170	-54.6	178.6	0	0	0	110.8	Y95 L315 I316 L324 V327 E328 L331 F443 G456 R457	Y95-L441 WeakPolarHBondContact OH-CD2 3.32Å; L315-L441 WeakPolarHBondContact CA-O 3.5Å; I316-L441 HydrophobicContact CB-CB 4.2Å; I316-L441 PolarHBondContact N-O 3.13Å; I316-L441 PolarHBondContact O-N 2.97Å; L324-L441 HydrophobicContact CD1-CD2 4.31Å; L324-L441 HydrophobicContact CD1-CG 4.03Å; L324-L441 HydrophobicContact CD2-CD2 3.88Å; L324-L441 HydrophobicContact CD2-CG 4.44Å; L324-L441 HydrophobicContact CG-CD2 4.07Å; L324-L441 HydrophobicContact CG-CG 4.32Å; V327-L441 HydrophobicContact CG1-CD1 4.41Å; E328-L441 HydrophobicContact CG-CD1 4.04Å; E328-L441 HydrophobicContact CG-CD2 3.72Å; E328-L441 HydrophobicContact CG-CG 4.37Å; E328-L441 WeakPolarHBondContact OE1-CD2 3.46Å; L331-L441 HydrophobicContact CD2-CD1 4.2Å; L441-F443 HydrophobicContact CB-CD2 4.47Å; L441-F443 HydrophobicContact CB-CE2 3.69Å; L441-F443 HydrophobicContact CB-CZ 4.45Å; L441-F443 HydrophobicContact CD1-CE2 4.14Å; L441-F443 HydrophobicContact CD1-CZ 4.27Å; L441-G456 CarbonylContact C-O 3.53Å; L441-G456 VanDerWaalsContact CA-O 3.31Å; L441-G456 WeakPolarHBondContact CA-O 3.19Å; L441-R457 HydrophobicContact CD2-CB 4.05Å
442	V	97.4	Very high	94.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.1	172.1	-65.1	0	0	0	0	109.9	F109 M313 L315 L405 F440 M455 G456 V458	F109-V442 HydrophobicContact CD2-CG2 4.38Å; M313-V442 HydrophobicContact SD-CG1 4.47Å; L315-V442 HydrophobicContact CD2-CG1 3.77Å; L405-V442 HydrophobicContact CD2-CG2 4.34Å; F440-V442 HydrophobicContact CD2-CG1 3.83Å; F440-V442 HydrophobicContact CE2-CG1 3.52Å; V442-M455 CarbonylContact O-C 3.5Å; V442-M455 VanDerWaalsContact O-CA 3.24Å; V442-M455 WeakPolarHBondContact O-CA 3.49Å; V442-G456 PolarHBondContact N-O 2.7Å; V442-G456 PolarHBondContact O-N 2.59Å; V442-V458 HydrophobicContact CG1-CG2 3.69Å; V442-V458 HydrophobicContact CG2-CG2 4.39Å
443	F	96.9	Very high	94.5	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.022	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.1	168.2	-61.4	-102.6	0	0	0	107.9	M313 V314 I316 L331 L336 L441 I452 F454 M455	M313-F443 CarbonylContact C-O 3.59Å; M313-F443 VanDerWaalsContact CA-O 3.27Å; M313-F443 WeakPolarHBondContact CA-O 3.25Å; V314-F443 HydrophobicContact CB-CB 4.31Å; V314-F443 PolarHBondContact N-O 2.98Å; V314-F443 PolarHBondContact O-N 3Å; I316-F443 HydrophobicContact CD1-CD2 4.04Å; I316-F443 HydrophobicContact CD1-CE2 3.52Å; I316-F443 HydrophobicContact CD1-CZ 4.3Å; I316-F443 HydrophobicContact CG1-CD2 4.31Å; I316-F443 HydrophobicContact CG1-CE2 4.1Å; L331-F443 HydrophobicContact CD2-CE1 4.14Å; L331-F443 HydrophobicContact CD2-CE2 4.34Å; L331-F443 HydrophobicContact CD2-CZ 3.46Å; L331-F443 VanDerWaalsContact CD2-CZ 3.46Å; L336-F443 HydrophobicContact CD2-CD1 4.07Å; L336-F443 HydrophobicContact CD2-CE1 3.85Å; L336-F443 HydrophobicContact CD2-CZ 4.49Å; L441-F443 HydrophobicContact CB-CD2 4.47Å; L441-F443 HydrophobicContact CB-CE2 3.69Å; L441-F443 HydrophobicContact CB-CZ 4.45Å; L441-F443 HydrophobicContact CD1-CE2 4.14Å; L441-F443 HydrophobicContact CD1-CZ 4.27Å; F443-I452 HydrophobicContact CD1-CD1 4.44Å; F443-I452 HydrophobicContact CD1-CG2 4.39Å; F443-F454 WeakPolarHBondContact CA-O 3.36Å; F443-M455 HydrophobicContact CD1-CB 3.92Å; F443-M455 HydrophobicContact CE1-CB 4.02Å; F443-M455 HydrophobicContact CE1-CE 3.83Å
444	I	95.5	Very high	94.4	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.9	169.3	-62.2	161.6	0	0	0	107.1	F109 F253 F306 I311 T312 M313 L405 I453 F454	F109-I444 HydrophobicContact CZ-CD1 4.42Å; F253-I444 HydrophobicContact CD1-CD1 3.7Å; F253-I444 HydrophobicContact CE1-CD1 3.8Å; F253-I444 HydrophobicContact CE1-CG2 4.43Å; F253-I444 HydrophobicContact CE2-CG2 4.22Å; F253-I444 HydrophobicContact CG-CD1 4.29Å; F253-I444 HydrophobicContact CZ-CD1 4.47Å; F253-I444 HydrophobicContact CZ-CG2 4.04Å; F306-I444 HydrophobicContact CE2-CG2 4.25Å; I311-I444 HydrophobicContact CG2-CG2 3.67Å; T312-I444 WeakPolarHBondContact O-CA 3.18Å; M313-I444 HydrophobicContact CB-CG1 4.41Å; M313-I444 HydrophobicContact CE-CD1 3.76Å; M313-I444 HydrophobicContact CE-CG1 3.77Å; M313-I444 HydrophobicContact CG-CG1 4.36Å; L405-I444 HydrophobicContact CD1-CD1 3.92Å; I444-I453 WeakPolarHBondContact O-CA 3.29Å; I444-I453 WeakPolarHBondContact O-CB 3.45Å; I444-I453 PolarHBondContact O-N 2.81Å; I444-F454 HydrophobicContact CB-CB 4.08Å; I444-F454 HydrophobicContact CB-CD2 3.94Å; I444-F454 HydrophobicContact CB-CG 4.48Å; I444-F454 HydrophobicContact CD1-CB 4.13Å; I444-F454 HydrophobicContact CD1-CD2 4.02Å; I444-F454 HydrophobicContact CD1-CG 4.27Å; I444-F454 HydrophobicContact CG1-CB 4.46Å; I444-F454 HydrophobicContact CG2-CD2 4.1Å; I444-F454 PolarHBondContact N-O 3.22Å; I444-F454 PolarHBondContact O-N 2.75Å; I444-F454 VanDerWaalsContact O-N 3.08Å
445	R	93.5	Very high	94.3	Very high	11 Å²	11	14.3 Å²	14.3	4%	0.042	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150	-170.3	70.5	-173.9	-162.3	113.8	7.2	112.7	E303 I311 T312 V314 V447 N450 T451	E303-R445 IonicContact OE1-CZ 3.25Å; E303-R445 IonicContact OE1-NE 2.72Å; E303-R445 PolarHBondContact OE1-NE 3.37Å; E303-R445 IonicContact OE1-NH2 3.35Å; E303-R445 PolarHBondContact OE1-NH2 3.11Å; E303-R445 IonicContact OE2-NH2 2.64Å; I311-R445 VanDerWaalsContact CA-O 3.3Å; I311-R445 WeakPolarHBondContact CA-O 3.24Å; I311-R445 WeakPolarHBondContact CG2-O 3.33Å; T312-R445 PolarHBondContact N-O 3.39Å; T312-R445 VanDerWaalsContact N-O 3.09Å; T312-R445 PolarHBondContact O-N 3.49Å; T312-R445 WeakPolarHBondContact OG1-CG 3.48Å; V314-R445 HydrophobicContact CG2-CG 4.5Å; R445-V447 HydrophobicContact CG-CG2 4.45Å; R445-N450 PolarHBondContact NH1-OD1 3.17Å; R445-T451 WeakPolarHBondContact CA-O 3.34Å; R445-T451 WeakPolarHBondContact CB-O 3.15Å
446	E	91.7	Very high	94.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.2	161.6	-160.3	-119.5	-140.3	0	0	108	R161 L162 K165 D310 P448 L449 N450 T451 I453	R161-E446 IonicContact CZ-OE1 3.41Å; R161-E446 VanDerWaalsContact CZ-OE1 3.25Å; R161-E446 IonicContact CZ-OE2 3.97Å; R161-E446 IonicContact NE-OE1 3.67Å; R161-E446 PolarHBondContact NE-OE1 3.06Å; R161-E446 IonicContact NE-OE2 2.65Å; R161-E446 IonicContact NH2-OE1 2.94Å; R161-E446 PolarHBondContact NH2-OE1 3.32Å; R161-E446 IonicContact NH2-OE2 3.7Å; R161-E446 PolarHBondContact NH2-OE2 3.41Å; R161-E446 VanDerWaalsContact NH2-OE2 3.09Å; L162-E446 HydrophobicContact CD2-CB 3.42Å; L162-E446 VanDerWaalsContact CD2-CB 3.42Å; L162-E446 HydrophobicContact CD2-CG 3.59Å; K165-E446 HydrophobicContact CD-CG 4.07Å; K165-E446 WeakPolarHBondContact CD-OE1 3.35Å; K165-E446 VanDerWaalsContact CE-OE1 3.27Å; K165-E446 WeakPolarHBondContact CE-OE1 3.48Å; K165-E446 IonicContact NZ-OE1 3.91Å; K165-E446 PolarHBondContact NZ-OE1 3.37Å; K165-E446 IonicContact NZ-OE2 3.93Å; D310-E446 CarbonylContact O-C 3.59Å; D310-E446 WeakPolarHBondContact O-CA 3.3Å; D310-E446 WeakPolarHBondContact O-CG 3.4Å; E446-P448 VanDerWaalsContact OE2-CD 3.29Å; E446-P448 WeakPolarHBondContact OE2-CD 3.3Å; E446-L449 PolarHBondContact O-N 3.37Å; E446-L449 WeakPolarHBondContact OE2-CB 3.37Å; E446-L449 VanDerWaalsContact OE2-CG 3.25Å; E446-L449 WeakPolarHBondContact OE2-CG 3.44Å; E446-L449 PolarHBondContact OE2-N 2.88Å; E446-N450 WeakPolarHBondContact O-CA 3.21Å; E446-N450 PolarHBondContact O-N 2.88Å; E446-T451 PolarHBondContact N-O 3.37Å; E446-T451 VanDerWaalsContact N-O 3.09Å; E446-T451 PolarHBondContact O-N 3.28Å; E446-I453 HydrophobicContact CB-CD1 4.31Å
447	V	90.6	Very high	94.2	Very high	42 Å²	42	11.8 Å²	11.8	26%	0.255	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-46.8	-169.6	175.3	0	0	0	0	112.1	D310 T312 R445 L449 N450	D310-V447 PolarHBondContact O-N 3.25Å; T312-V447 HydrophobicContact CG2-CG2 3.37Å; T312-V447 WeakPolarHBondContact OG1-CG2 3.25Å; R445-V447 HydrophobicContact CG-CG2 4.45Å; V447-L449 VanDerWaalsContact C-N 3.34Å; V447-L449 PolarHBondContact O-N 3.32Å; V447-N450 PolarHBondContact O-N 3.28Å; V447-N450 PolarHBondContact O-OD1 2.98Å
448	P	88.1	Confident	94.2	Very high	47 Å²	47	10.8 Å²	10.8	31%	0.305	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.2	-179.1	-26.2	35.3	0	0	0	114.6	P73 E446	P73-P448 WeakPolarHBondContact CB-O 3.21Å; P73-P448 WeakPolarHBondContact CG-O 3.33Å; E446-P448 VanDerWaalsContact OE2-CD 3.29Å; E446-P448 WeakPolarHBondContact OE2-CD 3.3Å
449	L	85.3	Confident	94.1	Very high	2 Å²	2	9 Å²	9	1%	0.01	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-8.8	178.6	-69.4	179.1	0	0	0	114.8	T76 V80 W81 S84 L158 E446 V447 T451	T76-L449 HydrophobicContact CG2-CD2 3.36Å; V80-L449 HydrophobicContact CG1-CD1 4.12Å; W81-L449 HydrophobicContact CB-CD2 4.44Å; S84-L449 PolarHBondContact OG-O 2.84Å; L158-L449 HydrophobicContact CD1-CD1 3.56Å; E446-L449 PolarHBondContact O-N 3.37Å; E446-L449 WeakPolarHBondContact OE2-CB 3.37Å; E446-L449 VanDerWaalsContact OE2-CG 3.25Å; E446-L449 WeakPolarHBondContact OE2-CG 3.44Å; E446-L449 PolarHBondContact OE2-N 2.88Å; V447-L449 VanDerWaalsContact C-N 3.34Å; V447-L449 PolarHBondContact O-N 3.32Å; L449-T451 WeakPolarHBondContact CB-OG1 3.2Å; L449-T451 PolarHBondContact O-N 2.93Å; L449-T451 VanDerWaalsContact O-N 3.16Å
450	N	87.6	Confident	94	Very high	42 Å²	42	9.9 Å²	9.9	23%	0.225	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	31	-161.7	-66.5	-19.3	0	0	0	113.3	S88 Q337 R445 E446 V447 I452	S88-N450 PolarHBondContact OG-O 2.96Å; Q337-N450 PolarHBondContact NE2-ND2 2.76Å; Q337-N450 PolarHBondContact OE1-ND2 2.74Å; R445-N450 PolarHBondContact NH1-OD1 3.17Å; E446-N450 WeakPolarHBondContact O-CA 3.21Å; E446-N450 PolarHBondContact O-N 2.88Å; V447-N450 PolarHBondContact O-N 3.28Å; V447-N450 PolarHBondContact O-OD1 2.98Å; N450-I452 PolarHBondContact O-N 3Å
451	T	90.1	Very high	93.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.1	178.7	-49.9	0	0	0	0	109.8	S84 L113 L162 R445 E446 L449 I453	S84-T451 VanDerWaalsContact OG-CA 3.28Å; S84-T451 WeakPolarHBondContact OG-CA 3.47Å; S84-T451 WeakPolarHBondContact OG-CB 3.19Å; S84-T451 PolarHBondContact OG-N 3.23Å; S84-T451 PolarHBondContact OG-OG1 3.47Å; L113-T451 HydrophobicContact CD1-CG2 4.27Å; L113-T451 HydrophobicContact CD2-CG2 4.27Å; L162-T451 HydrophobicContact CD1-CG2 4.26Å; R445-T451 WeakPolarHBondContact CA-O 3.34Å; R445-T451 WeakPolarHBondContact CB-O 3.15Å; E446-T451 PolarHBondContact N-O 3.37Å; E446-T451 VanDerWaalsContact N-O 3.09Å; E446-T451 PolarHBondContact O-N 3.28Å; L449-T451 WeakPolarHBondContact CB-OG1 3.2Å; L449-T451 PolarHBondContact O-N 2.93Å; L449-T451 VanDerWaalsContact O-N 3.16Å; T451-I453 PolarHBondContact O-N 3Å; T451-I453 VanDerWaalsContact O-N 3.15Å
452	I	93.4	Very high	93.4	Very high	11 Å²	11	12.3 Å²	12.3	6%	0.056	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	106	166.7	-58.7	173.4	0	0	0	107.9	N87 A91 P112 L336 F443 N450 F454 M455	N87-I452 PolarHBondContact ND2-O 3.36Å; A91-I452 HydrophobicContact CB-CD1 4.22Å; P112-I452 HydrophobicContact CG-CB 4.49Å; P112-I452 HydrophobicContact CG-CG2 3.83Å; L336-I452 HydrophobicContact CD2-CD1 3.89Å; F443-I452 HydrophobicContact CD1-CD1 4.44Å; F443-I452 HydrophobicContact CD1-CG2 4.39Å; N450-I452 PolarHBondContact O-N 3Å; I452-F454 WeakPolarHBondContact CG2-O 3.04Å; I452-M455 HydrophobicContact CG2-CB 4.18Å; I452-M455 HydrophobicContact CG2-SD 4.48Å
453	I	93.8	Very high	92.4	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.026	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-44.3	176.5	-48	169.5	0	0	0	109	S111 L113 L162 I311 I444 E446 T451	S111-I453 VanDerWaalsContact CA-O 3.27Å; S111-I453 WeakPolarHBondContact CA-O 3.4Å; S111-I453 VanDerWaalsContact CB-O 3.28Å; S111-I453 WeakPolarHBondContact CB-O 3.46Å; S111-I453 PolarHBondContact OG-O 3.25Å; L113-I453 HydrophobicContact CD2-CG2 4.21Å; L162-I453 HydrophobicContact CD2-CD1 4.31Å; I311-I453 HydrophobicContact CD1-CD1 4.08Å; I311-I453 HydrophobicContact CG1-CD1 4.43Å; I311-I453 HydrophobicContact CG2-CD1 4.12Å; I444-I453 WeakPolarHBondContact O-CA 3.29Å; I444-I453 WeakPolarHBondContact O-CB 3.45Å; I444-I453 PolarHBondContact O-N 2.81Å; E446-I453 HydrophobicContact CB-CD1 4.31Å; T451-I453 PolarHBondContact O-N 3Å; T451-I453 VanDerWaalsContact O-N 3.15Å
454	F	95.6	Very high	90.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.4	175	-55.5	-97.6	0	0	0	111.5	F109 L110 L172 I251 F253 F443 I444 I452	F109-F454 AromaticContact CE1-CD1 3.53Å; F109-F454 HydrophobicContact CE1-CD1 3.53Å; F109-F454 HydrophobicContact CE1-CE1 4Å; F109-F454 HydrophobicContact CE1-CG 4.33Å; F109-F454 HydrophobicContact CE2-CB 3.7Å; F109-F454 HydrophobicContact CE2-CD1 4.19Å; F109-F454 HydrophobicContact CE2-CG 4.24Å; F109-F454 HydrophobicContact CZ-CB 3.57Å; F109-F454 AromaticContact CZ-CD1 3.25Å; F109-F454 HydrophobicContact CZ-CD1 3.25Å; F109-F454 HydrophobicContact CZ-CE1 4.02Å; F109-F454 AromaticContact CZ-CG 3.58Å; F109-F454 HydrophobicContact CZ-CG 3.58Å; L110-F454 VanDerWaalsContact O-CA 3.22Å; L110-F454 WeakPolarHBondContact O-CA 3.49Å; L110-F454 WeakPolarHBondContact O-CB 3.24Å; L172-F454 HydrophobicContact CD1-CE2 4.18Å; L172-F454 HydrophobicContact CD1-CZ 3.77Å; I251-F454 HydrophobicContact CB-CE1 4.37Å; I251-F454 HydrophobicContact CD1-CE1 3.75Å; I251-F454 HydrophobicContact CD1-CZ 3.54Å; I251-F454 HydrophobicContact CG1-CE1 3.73Å; I251-F454 HydrophobicContact CG1-CZ 3.65Å; I251-F454 HydrophobicContact CG2-CE1 3.87Å; F253-F454 HydrophobicContact CB-CD2 4.47Å; F253-F454 HydrophobicContact CB-CE1 4.17Å; F253-F454 HydrophobicContact CB-CE2 3.69Å; F253-F454 HydrophobicContact CB-CZ 3.52Å; F253-F454 AromaticContact CD2-CE2 3.74Å; F253-F454 HydrophobicContact CD2-CE2 3.74Å; F253-F454 HydrophobicContact CD2-CZ 4.33Å; F253-F454 AromaticContact CG-CE2 3.9Å; F253-F454 HydrophobicContact CG-CE2 3.9Å; F253-F454 HydrophobicContact CG-CZ 4.25Å; F443-F454 WeakPolarHBondContact CA-O 3.36Å; I444-F454 HydrophobicContact CB-CB 4.08Å; I444-F454 HydrophobicContact CB-CD2 3.94Å; I444-F454 HydrophobicContact CB-CG 4.48Å; I444-F454 HydrophobicContact CD1-CB 4.13Å; I444-F454 HydrophobicContact CD1-CD2 4.02Å; I444-F454 HydrophobicContact CD1-CG 4.27Å; I444-F454 HydrophobicContact CG1-CB 4.46Å; I444-F454 HydrophobicContact CG2-CD2 4.1Å; I444-F454 PolarHBondContact N-O 3.22Å; I444-F454 PolarHBondContact O-N 2.75Å; I444-F454 VanDerWaalsContact O-N 3.08Å; I452-F454 WeakPolarHBondContact CG2-O 3.04Å
455	M	96.4	Very high	89.8	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.4	170.1	67	-162.1	-52.8	0	0	110.6	A91 Y95 F109 L110 P112 V442 F443 I452	A91-M455 HydrophobicContact CB-SD 3.87Å; Y95-M455 VanDerWaalsContact CB-CE 3.41Å; Y95-M455 HydrophobicContact CD1-CE 4.44Å; Y95-M455 HydrophobicContact CD2-CE 3.63Å; Y95-M455 HydrophobicContact CD2-CG 3.83Å; Y95-M455 HydrophobicContact CD2-SD 3.99Å; Y95-M455 HydrophobicContact CE2-CG 4.44Å; Y95-M455 HydrophobicContact CG-CE 3.56Å; Y95-M455 HydrophobicContact CG-SD 4.3Å; F109-M455 WeakPolarHBondContact CD2-O 3.17Å; L110-M455 HydrophobicContact CD1-CG 4.35Å; L110-M455 HydrophobicContact CD1-SD 4.47Å; L110-M455 HydrophobicContact CD2-CG 3.77Å; L110-M455 HydrophobicContact CG-CG 3.86Å; L110-M455 PolarHBondContact N-O 3.17Å; L110-M455 PolarHBondContact O-N 3.09Å; P112-M455 HydrophobicContact CB-SD 4.36Å; P112-M455 HydrophobicContact CG-CG 4.36Å; P112-M455 HydrophobicContact CG-SD 3.84Å; V442-M455 CarbonylContact O-C 3.5Å; V442-M455 VanDerWaalsContact O-CA 3.24Å; V442-M455 WeakPolarHBondContact O-CA 3.49Å; F443-M455 HydrophobicContact CD1-CB 3.92Å; F443-M455 HydrophobicContact CE1-CB 4.02Å; F443-M455 HydrophobicContact CE1-CE 3.83Å; I452-M455 HydrophobicContact CG2-CB 4.18Å; I452-M455 HydrophobicContact CG2-SD 4.48Å
456	G	96.6	Very high	89.6	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	175.1	-179.6	0	0	0	0	0	115.4	I108 L441 V442	I108-G456 CarbonylContact O-C 3.56Å; I108-G456 WeakPolarHBondContact O-CA 3.23Å; L441-G456 CarbonylContact C-O 3.53Å; L441-G456 VanDerWaalsContact CA-O 3.31Å; L441-G456 WeakPolarHBondContact CA-O 3.19Å; V442-G456 PolarHBondContact N-O 2.7Å; V442-G456 PolarHBondContact O-N 2.59Å
457	R	97.1	Very high	89.5	Confident	3 Å²	3	24.7 Å²	24.7	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.1	174.8	161.5	166.7	75.9	-162.1	8.2	109.5	Y95 N103 D104 D106 N107 I108 L324 E328 L441 A459	Y95-R457 VanDerWaalsContact OH-CB 3.26Å; Y95-R457 WeakPolarHBondContact OH-CB 3.34Å; N103-R457 PolarHBondContact O-NH2 2.71Å; D104-R457 IonicContact OD1-CZ 3.13Å; D104-R457 IonicContact OD1-NH1 2.78Å; D104-R457 PolarHBondContact OD1-NH1 2.03Å; D104-R457 IonicContact OD1-NH2 3.21Å; D106-R457 PolarHBondContact O-NE 3.26Å; D106-R457 VanDerWaalsContact O-NE 3.11Å; N107-R457 VanDerWaalsContact CA-O 3.29Å; N107-R457 WeakPolarHBondContact CA-O 3.43Å; I108-R457 HydrophobicContact CB-CB 4.1Å; I108-R457 HydrophobicContact CG1-CB 4.21Å; I108-R457 PolarHBondContact N-O 3.04Å; I108-R457 PolarHBondContact O-N 3.4Å; L324-R457 HydrophobicContact CD2-CB 4.41Å; L324-R457 HydrophobicContact CD2-CG 3.72Å; E328-R457 IonicContact OE1-CZ 2.72Å; E328-R457 IonicContact OE1-NE 2.72Å; E328-R457 IonicContact OE1-NH1 3.7Å; E328-R457 PolarHBondContact OE1-NH1 2.69Å; E328-R457 IonicContact OE2-CZ 2.8Å; E328-R457 IonicContact OE2-NH1 2.7Å; E328-R457 PolarHBondContact OE2-NH1 3.16Å; L441-R457 HydrophobicContact CD2-CB 4.05Å; R457-A459 HydrophobicContact CG-CB 3.97Å
458	V	97.3	Very high	89.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	81.4	170.5	-172.4	0	0	0	0	107.7	F355 I357 P439 F440 V442 P461	F355-V458 HydrophobicContact CD1-CG1 4.35Å; F355-V458 HydrophobicContact CE1-CG1 4.35Å; F355-V458 HydrophobicContact CE1-CG2 4.28Å; F355-V458 HydrophobicContact CE2-CG2 3.91Å; F355-V458 HydrophobicContact CZ-CG1 4.47Å; F355-V458 HydrophobicContact CZ-CG2 3.71Å; I357-V458 HydrophobicContact CD1-CB 4.38Å; I357-V458 HydrophobicContact CD1-CG1 4.39Å; I357-V458 HydrophobicContact CD1-CG2 3.82Å; P439-V458 WeakPolarHBondContact CA-O 3.04Å; F440-V458 HydrophobicContact CD1-CB 4.06Å; F440-V458 HydrophobicContact CD1-CG1 4.46Å; F440-V458 HydrophobicContact CD2-CB 4.28Å; F440-V458 HydrophobicContact CD2-CG2 4.19Å; F440-V458 HydrophobicContact CE1-CB 3.69Å; F440-V458 HydrophobicContact CE1-CG1 3.7Å; F440-V458 HydrophobicContact CE1-CG2 4.27Å; F440-V458 HydrophobicContact CE2-CB 3.92Å; F440-V458 HydrophobicContact CE2-CG1 4.49Å; F440-V458 HydrophobicContact CE2-CG2 3.62Å; F440-V458 HydrophobicContact CG-CB 4.36Å; F440-V458 HydrophobicContact CZ-CB 3.62Å; F440-V458 HydrophobicContact CZ-CG1 3.72Å; F440-V458 HydrophobicContact CZ-CG2 3.67Å; F440-V458 PolarHBondContact N-O 3.37Å; F440-V458 PolarHBondContact O-N 2.99Å; V442-V458 HydrophobicContact CG1-CG2 3.69Å; V442-V458 HydrophobicContact CG2-CG2 4.39Å; V458-P461 HydrophobicContact CG1-CB 4.04Å
459	A	96.4	Very high	89.5	Confident	2 Å²	2	22.2 Å²	22.2	2%	0.017	14%	0.14	C	C	.	.	S	Bend	trans	-80.4	-28.7	177.1	0	0	0	0	0	112.4	K105 D106 N107 F271 R457	K105-A459 VanDerWaalsContact O-CB 3.28Å; K105-A459 WeakPolarHBondContact O-CB 3.44Å; D106-A459 WeakPolarHBondContact O-CB 3.35Å; N107-A459 PolarHBondContact OD1-N 2.86Å; F271-A459 WeakPolarHBondContact CE1-O 3.4Å; R457-A459 HydrophobicContact CG-CB 3.97Å
460	N	94.8	Very high	89.8	Confident	34 Å²	34	23.5 Å²	23.5	18%	0.182	15%	0.148	C	C	.	.			trans	-148.8	103	179.3	-178	1.7	0	0	0	111.1	N107 K273 C462 V463	N107-N460 PolarHBondContact ND2-O 2.7Å; N107-N460 PolarHBondContact OD1-N 3.48Å; N107-N460 PolarHBondContact OD1-O 2.88Å; K273-N460 HydrophobicContact CD-CB 4.46Å; N460-C462 VanDerWaalsContact C-N 3.27Å; N460-C462 PolarHBondContact O-N 3.39Å; N460-C462 WeakPolarHBondContact OD1-CB 3.25Å; N460-C462 PolarHBondContact OD1-N 3.16Å; N460-V463 WeakPolarHBondContact O-CG2 3.28Å
461	P	94	Very high	89.9	Confident	7 Å²	7	22.2 Å²	22.2	5%	0.045	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	1	177.3	34.8	-36.7	0	0	0	113.9	F271 A281 P353 F355 V458	F271-P461 HydrophobicContact CB-CG 4.2Å; F271-P461 VanDerWaalsContact CD1-CD 3.5Å; F271-P461 HydrophobicContact CD1-CG 4.02Å; F271-P461 HydrophobicContact CD2-CG 3.49Å; F271-P461 VanDerWaalsContact CD2-CG 3.49Å; F271-P461 VanDerWaalsContact CE1-CD 3.46Å; F271-P461 HydrophobicContact CE1-CG 4.25Å; F271-P461 HydrophobicContact CE2-CG 3.75Å; F271-P461 HydrophobicContact CG-CG 3.63Å; F271-P461 HydrophobicContact CZ-CG 4.11Å; A281-P461 HydrophobicContact CB-CG 4.13Å; P353-P461 HydrophobicContact CB-CB 3.85Å; P353-P461 HydrophobicContact CB-CG 4.02Å; P353-P461 HydrophobicContact CG-CB 3.99Å; P353-P461 HydrophobicContact CG-CG 4.09Å; F355-P461 HydrophobicContact CB-CB 3.79Å; F355-P461 HydrophobicContact CD1-CB 4.28Å; F355-P461 HydrophobicContact CG-CB 4.29Å; V458-P461 HydrophobicContact CG1-CB 4.04Å
462	C	90.6	Very high	89.9	Confident	43 Å²	43	23.9 Å²	23.9	29%	0.291	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.5	-174.8	-56	0	0	0	0	113.8	C279 N460	C279-C462 HydrophobicContact CB-CB 3.66Å; C279-C462 WeakPolarHBondContact CB-SG 3.47Å; C279-C462 WeakPolarHBondContact SG-CB 2.86Å; C279-C462 CovalentContact SG-SG 2.04Å; C279-C462 PolarHBondContact SG-SG 3.37Å; N460-C462 VanDerWaalsContact C-N 3.27Å; N460-C462 PolarHBondContact O-N 3.39Å; N460-C462 WeakPolarHBondContact OD1-CB 3.25Å; N460-C462 PolarHBondContact OD1-N 3.16Å
463	V	75.8	Confident	89.6	Confident	72 Å²	72	25 Å²	25	44%	0.436	16%	0.162	S	C	.	.			trans	-79.7	153.1	165.9	-69.3	0	0	0	0	110.3	N460	N460-V463 WeakPolarHBondContact O-CG2 3.28Å
464	S	47.5	Very low	89.3	Confident	132 Å²	132	26.8 Å²	26.8	92%	0.923	18%	0.175	S	C	*	.			trans	-132.5	0	-168.5	-61.6	0	0	0	0	113.2	R356	R356-S464 VanDerWaalsContact CD-OXT 3.26Å; R356-S464 WeakPolarHBondContact CD-OXT 3.26Å; R356-S464 PolarHBondContact NH1-OXT 2.85Å

Retrieved 464 of 464 residues in 143.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).