A0A093GSW8_STRCA Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A093GSW8, Species STRCA (Struthio camelus australis), Gene n/a, Length 326 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	49.3	Very low	246 Å²	246	131.7 Å²	131.7	100%	1.212	73%	0.731	S	S	*	*				0	97.5	0	-81.4	177.8	-116.5	0	0	108.2
2	A	40.2	Very low	49.8	Very low	104 Å²	104	126.9 Å²	126.9	86%	0.86	71%	0.708	S	S	*	*			trans	-74.5	127.9	175.4	0	0	0	0	0	109.1
3	S	44.4	Very low	50.3	Low	87 Å²	87	124.8 Å²	124.8	61%	0.608	70%	0.7	S	S	*	*			trans	-68.5	128.5	-174.9	174	0	0	0	0	111.2	V5	S3-V5 PolarHBondContact O-N 3.42Å; S3-V5 WeakPolarHBondContact OG-CG2 3.33Å
4	K	52.9	Low	50.6	Low	195 Å²	195	122.9 Å²	122.9	85%	0.848	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	3.9	177.9	-71.6	179.5	173.2	179.4	0	114.5
5	V	53.4	Low	50.5	Low	105 Å²	105	120.3 Å²	120.3	64%	0.636	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-22.9	-177.4	-175.9	0	0	0	0	112.6	S3 C7	S3-V5 PolarHBondContact O-N 3.42Å; S3-V5 WeakPolarHBondContact OG-CG2 3.33Å; V5-C7 PolarHBondContact O-N 3.27Å
6	S	52.1	Low	50.4	Low	93 Å²	93	124.9 Å²	124.9	65%	0.65	69%	0.687	S	S	*	*	H	α-helix	trans	-74.5	-21.8	178.2	-70.6	0	0	0	0	114.5
7	C	48.9	Very low	50.3	Low	93 Å²	93	121.8 Å²	121.8	63%	0.628	68%	0.681	S	S	*	*	H	α-helix	trans	-77.4	-31.1	-177.8	-110.7	0	0	0	0	113.2	V5 L11	V5-C7 PolarHBondContact O-N 3.27Å; C7-L11 PolarHBondContact O-N 2.93Å
8	L	50	Low	50.4	Low	132 Å²	132	119.3 Å²	119.3	69%	0.691	67%	0.673	S	S	*	*	H	α-helix	trans	-72.5	-32.2	179.3	-111	90.6	0	0	0	112.5	T12	L8-T12 PolarHBondContact O-N 2.72Å; L8-T12 PolarHBondContact O-OG1 3.2Å
9	Y	52.7	Low	50.3	Low	181 Å²	181	115.8 Å²	115.8	71%	0.71	66%	0.661	S	S	*	*	H	α-helix	trans	-71.6	-30.4	179.8	-120.4	-89.8	0	0	0	112.8	T12 V13	Y9-T12 PolarHBondContact O-OG1 3.34Å; Y9-T12 VanDerWaalsContact O-OG1 3.07Å; Y9-V13 VanDerWaalsContact O-CG2 3.31Å; Y9-V13 WeakPolarHBondContact O-CG2 3.47Å; Y9-V13 PolarHBondContact O-N 3.09Å
10	V	55.8	Low	50.3	Low	96 Å²	96	116.8 Å²	116.8	58%	0.582	66%	0.664	S	S	*	*	H	α-helix	trans	-78.5	-34	178	179	0	0	0	0	111.1	V14	V10-V14 WeakPolarHBondContact O-CG2 3.09Å; V10-V14 PolarHBondContact O-N 3.12Å
11	L	51.5	Low	50.1	Low	117 Å²	117	121.2 Å²	121.2	61%	0.613	67%	0.67	S	S	*	*	H	α-helix	trans	-69.6	-32.4	177.7	-87.8	159.9	0	0	0	113.4	C7 C15	C7-L11 PolarHBondContact O-N 2.93Å; L11-C15 PolarHBondContact O-N 3.06Å
12	T	55.9	Low	50.4	Low	74 Å²	74	119 Å²	119	45%	0.454	65%	0.65	S	S	.	*	H	α-helix	trans	-72.1	-44	174.9	52	0	0	0	0	111	L8 Y9 V14 C15 W16	L8-T12 PolarHBondContact O-N 2.72Å; L8-T12 PolarHBondContact O-OG1 3.2Å; Y9-T12 PolarHBondContact O-OG1 3.34Å; Y9-T12 VanDerWaalsContact O-OG1 3.07Å; T12-V14 VanDerWaalsContact C-N 3.3Å; T12-V14 PolarHBondContact O-N 3.02Å; T12-C15 PolarHBondContact O-N 3.44Å; T12-W16 VanDerWaalsContact O-CD1 3.24Å
13	V	56	Low	50.7	Low	100 Å²	100	121.4 Å²	121.4	61%	0.606	65%	0.647	S	S	*	*	H	α-helix	trans	-63.3	-34	-178.7	175.3	0	0	0	0	112.8	Y9	Y9-V13 VanDerWaalsContact O-CG2 3.31Å; Y9-V13 WeakPolarHBondContact O-CG2 3.47Å; Y9-V13 PolarHBondContact O-N 3.09Å
14	V	54	Low	50.6	Low	97 Å²	97	121.4 Å²	121.4	59%	0.588	65%	0.647	S	S	*	*	H	α-helix	trans	-76.8	-29.4	-179.8	177.3	0	0	0	0	112.9	V10 T12	V10-V14 WeakPolarHBondContact O-CG2 3.09Å; V10-V14 PolarHBondContact O-N 3.12Å; T12-V14 VanDerWaalsContact C-N 3.3Å; T12-V14 PolarHBondContact O-N 3.02Å
15	C	49.7	Very low	50.2	Low	85 Å²	85	118.6 Å²	118.6	57%	0.574	64%	0.64	S	S	*	*	H	α-helix	trans	-75.5	-22.7	179.5	-76.3	0	0	0	0	114.3	L11 T12 S18	L11-C15 PolarHBondContact O-N 3.06Å; T12-C15 PolarHBondContact O-N 3.44Å; C15-S18 PolarHBondContact O-OG 3.47Å
16	W	49	Very low	49.5	Very low	194 Å²	194	119.9 Å²	119.9	74%	0.735	65%	0.648	S	S	*	*	H	α-helix	trans	-85.2	-22.5	179.4	-76	82.8	0	0	0	113.2	T12 S18	T12-W16 VanDerWaalsContact O-CD1 3.24Å; W16-S18 VanDerWaalsContact C-N 3.34Å; W16-S18 PolarHBondContact O-N 2.88Å
17	A	48.5	Very low	48.8	Very low	71 Å²	71	127.1 Å²	127.1	59%	0.587	66%	0.661	S	S	*	*	H	α-helix	trans	-71.5	-25.5	179	0	0	0	0	0	113.5
18	S	51.5	Low	48.2	Very low	77 Å²	77	128.9 Å²	128.9	54%	0.538	67%	0.671	S	S	.	*	H	α-helix	trans	-85.1	-23.8	-179.9	40	0	0	0	0	113.9	C15 W16	C15-S18 PolarHBondContact O-OG 3.47Å; W16-S18 VanDerWaalsContact C-N 3.34Å; W16-S18 PolarHBondContact O-N 2.88Å
19	A	48.9	Very low	47.6	Very low	54 Å²	54	129.4 Å²	129.4	45%	0.446	68%	0.68	S	S	.	*	H	α-helix	trans	-75.1	-30	177.3	0	0	0	0	0	113
20	L	50.4	Low	46.7	Very low	135 Å²	135	126.7 Å²	126.7	71%	0.707	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-17.8	179.8	-73.3	166.9	0	0	0	113.5
21	W	45.6	Very low	45.5	Very low	210 Å²	210	127.3 Å²	127.3	80%	0.795	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-24.6	176	-143.4	65.5	0	0	0	112.8	S24	W21-S24 PolarHBondContact O-OG 2.8Å
22	Y	46.3	Very low	44.5	Very low	200 Å²	200	132.5 Å²	132.5	78%	0.784	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-14.6	-176.9	-113.9	-90.2	0	0	0	114.7
23	L	46.8	Very low	43.4	Very low	154 Å²	154	135.9 Å²	135.9	81%	0.806	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	3.3	-176.3	-71.5	169.1	0	0	0	114.3
24	S	42.8	Very low	42.1	Very low	87 Å²	87	134.1 Å²	134.1	61%	0.608	73%	0.732	S	S	*	*	S	Bend	trans	-94.1	2.1	-176.8	62.1	0	0	0	0	114.7	W21	W21-S24 PolarHBondContact O-OG 2.8Å
25	I	44.3	Very low	41.1	Very low	136 Å²	136	139 Å²	139	70%	0.697	75%	0.748	S	S	*	*			trans	-120	94.4	-178.6	-51.5	177.3	0	0	0	109.1
26	T	37.9	Very low	40.1	Very low	131 Å²	131	145.4 Å²	145.4	80%	0.804	76%	0.76	S	S	*	*			trans	156.3	108.2	139.2	42.6	0	0	0	0	111.3
27	R	39.1	Very low	39.3	Very low	246 Å²	246	142 Å²	142	93%	0.928	75%	0.753	S	S	*	*			trans	-141.9	124.6	147.3	-81.4	-163.3	176.8	-178.8	-0.1	110
28	P	36.2	Very low	38.4	Very low	130 Å²	130	148.6 Å²	148.6	84%	0.844	77%	0.768	S	S	*	*			trans	-82.4	149.7	176.8	25.2	-19.5	0	0	0	112.4
29	T	36.7	Very low	37.3	Very low	142 Å²	142	151.2 Å²	151.2	87%	0.871	78%	0.776	S	S	*	*			trans	-74.6	146.8	172.8	43.4	0	0	0	0	111.3
30	S	33	Very low	36.5	Very low	125 Å²	125	154.2 Å²	154.2	87%	0.874	79%	0.794	S	S	*	*			trans	-147.6	149.1	156.2	-160.6	0	0	0	0	111.6
31	S	31.1	Very low	35.5	Very low	109 Å²	109	154.8 Å²	154.8	76%	0.762	80%	0.796	S	S	*	*			trans	-102.7	158.2	-150	33.8	0	0	0	0	113.8
32	Y	30.5	Very low	34.9	Very low	225 Å²	225	150 Å²	150	88%	0.882	80%	0.795	S	S	*	*			trans	-48.1	143	166.9	-87.6	-99.8	0	0	0	114.3
33	T	32.8	Very low	34.5	Very low	146 Å²	146	148.4 Å²	148.4	90%	0.896	80%	0.798	S	S	*	*			trans	-148	140.7	135.3	40.4	0	0	0	0	109.2
34	G	29.9	Very low	33.9	Very low	62 Å²	62	145.3 Å²	145.3	64%	0.639	80%	0.795	S	S	*	*			trans	-111.8	161.9	178.1	0	0	0	0	0	112
35	H	32.4	Very low	33.5	Very low	201 Å²	201	152.7 Å²	152.7	93%	0.931	81%	0.809	S	S	*	*			trans	-150.9	125.9	154.9	-94.4	-67.3	0	0	0	111.4
36	R	29.1	Very low	33.2	Very low	218 Å²	218	155.8 Å²	155.8	82%	0.823	82%	0.818	S	S	*	*			trans	-75	159.8	157.6	-107.9	-177.4	-174	-168	3	107.9
37	Q	31.5	Very low	33	Very low	124 Å²	124	156.7 Å²	156.7	58%	0.579	82%	0.818	S	S	*	*			cis	-170.2	165.3	3.7	-152.4	172.4	-0.2	0	0	105
38	F	30.4	Very low	33.3	Very low	209 Å²	209	151.6 Å²	151.6	92%	0.917	81%	0.813	S	S	*	*				-177.2	127.8	126.3	-98.8	-69.8	0	0	0	110.4
39	N	28.1	Very low	33.4	Very low	131 Å²	131	149.7 Å²	149.7	70%	0.701	80%	0.803	S	S	*	*			trans	-78.8	143.3	177.1	-73.5	-25.8	0	0	0	110.6
40	S	31.5	Very low	34	Very low	117 Å²	117	153.1 Å²	153.1	82%	0.818	81%	0.806	S	S	*	*			trans	-125.5	125.4	147.9	64.8	0	0	0	0	108.4
41	I	29.7	Very low	34.6	Very low	147 Å²	147	149.3 Å²	149.3	75%	0.754	79%	0.787	S	S	*	*			trans	-93.1	115.7	178.8	-64.7	171.1	0	0	0	106.4	I43	I41-I43 HydrophobicContact CG2-CG1 4.26Å
42	S	32.9	Very low	35.1	Very low	111 Å²	111	151.6 Å²	151.6	78%	0.776	79%	0.79	S	S	*	*			trans	-108.3	119.4	164.4	56	0	0	0	0	109.2	A44	S42-A44 PolarHBondContact O-N 2.95Å
43	I	38.4	Very low	35.8	Very low	165 Å²	165	147.6 Å²	147.6	85%	0.846	78%	0.783	S	S	*	*			trans	-81.2	112.1	177	-64	171.6	0	0	0	107.4	I41	I41-I43 HydrophobicContact CG2-CG1 4.26Å
44	A	34.4	Very low	36.7	Very low	89 Å²	89	152 Å²	152	74%	0.736	78%	0.783	S	S	*	*			trans	-121.4	133.7	172.4	0	0	0	0	0	110.9	S42	S42-A44 PolarHBondContact O-N 2.95Å
45	R	34	Very low	38.4	Very low	242 Å²	242	152.8 Å²	152.8	91%	0.913	78%	0.776	S	S	*	*			trans	-59.1	139.6	-167	-69.2	164.4	171.5	170.1	-3.6	113	N47	R45-N47 PolarHBondContact O-N 3.34Å; R45-N47 VanDerWaalsContact O-N 3.08Å
46	K	37	Very low	40.6	Very low	202 Å²	202	154 Å²	154	88%	0.878	77%	0.772	S	S	*	*			trans	-63.2	103.7	174.6	-78.3	178.5	175.7	176	0	110.9
47	N	33.7	Very low	43.3	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	75%	0.752	S	S	*	*			trans	-95.3	116.7	149.2	-78.6	-16.6	0	0	0	106.8	R45 S49	R45-N47 PolarHBondContact O-N 3.34Å; R45-N47 VanDerWaalsContact O-N 3.08Å; N47-S49 VanDerWaalsContact C-N 3.26Å; N47-S49 PolarHBondContact O-N 2.82Å
48	V	45.6	Very low	46	Very low	138 Å²	138	145.6 Å²	145.6	84%	0.836	75%	0.75	S	S	*	*			trans	-70.1	88.5	174.8	179.4	0	0	0	0	107.5
49	S	38.7	Very low	48.7	Very low	90 Å²	90	137.3 Å²	137.3	63%	0.629	72%	0.715	S	S	*	*			trans	-85.9	140.9	163.2	71.1	0	0	0	0	108.2	N47 G51	N47-S49 VanDerWaalsContact C-N 3.26Å; N47-S49 PolarHBondContact O-N 2.82Å; S49-G51 PolarHBondContact O-N 3.42Å
50	F	49.6	Very low	51.6	Low	215 Å²	215	135.1 Å²	135.1	94%	0.943	71%	0.708	S	S	*	*	S	Bend	trans	-63.1	18.2	171.3	-81	-93.1	0	0	0	113.8
51	G	44.8	Very low	54.4	Low	45 Å²	45	130.1 Å²	130.1	46%	0.464	67%	0.672	S	S	.	*			trans	-103.3	72.5	-179.7	0	0	0	0	0	111.1	S49	S49-G51 PolarHBondContact O-N 3.42Å
52	N	41.5	Very low	57.3	Low	156 Å²	156	128.1 Å²	128.1	83%	0.834	67%	0.671	S	S	*	*			trans	-176.9	31.2	157	-95.4	-21.7	0	0	0	115.7	R54	N52-R54 PolarHBondContact O-N 3.08Å
53	I	45.1	Very low	60.3	Low	141 Å²	141	125.7 Å²	125.7	72%	0.723	65%	0.646	S	S	*	*			trans	-81.6	95.9	155.3	-50.9	179.5	0	0	0	105.7	T55	I53-T55 HydrophobicContact CB-CG2 4.13Å; I53-T55 HydrophobicContact CG2-CG2 3.42Å; I53-T55 VanDerWaalsContact CG2-CG2 3.42Å; I53-T55 PolarHBondContact O-N 3.12Å
54	R	53.1	Low	63.1	Low	238 Å²	238	123.3 Å²	123.3	90%	0.898	64%	0.635	S	S	*	*			trans	-61.4	81.3	155.5	-86.3	-176.3	174.2	-175.1	-1.7	106.1	N52 R56	N52-R54 PolarHBondContact O-N 3.08Å; R54-R56 PolarHBondContact O-N 2.96Å
55	T	65.6	Low	66.2	Low	80 Å²	80	121.2 Å²	121.2	49%	0.491	61%	0.61	S	S	.	*			trans	-64	112.7	172.8	46.5	0	0	0	0	105.6	I53 H257	I53-T55 HydrophobicContact CB-CG2 4.13Å; I53-T55 HydrophobicContact CG2-CG2 3.42Å; I53-T55 VanDerWaalsContact CG2-CG2 3.42Å; I53-T55 PolarHBondContact O-N 3.12Å; T55-H257 PolarHBondContact O-CE1 2.73Å; T55-H257 PolarHBondContact OG1-CE1 2.94Å; T55-H257 VanDerWaalsContact OG1-CE1 3.28Å; T55-H257 PolarHBondContact OG1-ND1 2.69Å
56	R	78.8	Confident	69.2	Low	225 Å²	225	113.8 Å²	113.8	85%	0.849	59%	0.587	S	S	*	*			trans	-55.9	134.1	169.9	-71.3	-176.7	178.2	-174.2	-0.6	107.1	R54 I58	R54-R56 PolarHBondContact O-N 2.96Å; R56-I58 PolarHBondContact O-N 3.08Å
57	P	85.1	Confident	72.2	Confident	62 Å²	62	105.2 Å²	105.2	40%	0.403	55%	0.551	S	S	.	*			trans	-50.5	131.8	171.3	-27	35.3	0	0	0	109.6	N59 P60 L256	P57-N59 VanDerWaalsContact C-N 3.32Å; P57-P60 HydrophobicContact CB-CB 4.48Å; P57-L256 CarbonylContact C-O 3.57Å; P57-L256 VanDerWaalsContact CA-O 3.3Å; P57-L256 WeakPolarHBondContact CA-O 3.48Å; P57-L256 HydrophobicContact CB-CB 4.29Å
58	I	89.1	Confident	75.2	Confident	105 Å²	105	100.1 Å²	100.1	54%	0.538	52%	0.524	S	S	.	.	S	Bend	trans	-70.7	-38.1	174.4	-63.5	176.1	0	0	0	108.9	R56 L256	R56-I58 PolarHBondContact O-N 3.08Å; I58-L256 PolarHBondContact N-O 3.3Å
59	N	87	Confident	77.7	Confident	35 Å²	35	94.8 Å²	94.8	19%	0.187	49%	0.49	C	S	.	.	S	Bend	trans	-124.5	87.8	176.2	-28.5	-83.6	0	0	0	107.9	P57 H61 S255 L256 T258 L260	P57-N59 VanDerWaalsContact C-N 3.32Å; N59-H61 PolarHBondContact O-N 2.69Å; N59-S255 PolarHBondContact ND2-O 2.74Å; N59-L256 PolarHBondContact N-O 2.83Å; N59-L256 WeakPolarHBondContact O-CD2 3.37Å; N59-T258 PolarHBondContact ND2-O 3.21Å; N59-L260 WeakPolarHBondContact OD1-CB 3.16Å; N59-L260 PolarHBondContact OD1-N 2.86Å; N59-L260 VanDerWaalsContact OD1-N 3.16Å
60	P	87.8	Confident	80.4	Confident	85 Å²	85	93 Å²	93	55%	0.552	48%	0.476	S	S	*	.			trans	-62.1	120.3	172.1	25.9	-32	0	0	0	109.2	P57 S62	P57-P60 HydrophobicContact CB-CB 4.48Å; P60-S62 VanDerWaalsContact C-N 3.28Å; P60-S62 PolarHBondContact O-N 3.36Å
61	H	89.9	Confident	82.6	Confident	12 Å²	12	87.9 Å²	87.9	6%	0.056	46%	0.458	C	S	.	.			trans	-93.5	62	175.1	-164	140.5	0	0	0	109	N59 F63 E143 L154 Y252 L256	N59-H61 PolarHBondContact O-N 2.69Å; H61-F63 VanDerWaalsContact C-N 3.26Å; H61-F63 AromaticContact CD2-CD2 3.49Å; H61-F63 VanDerWaalsContact CD2-CD2 3.49Å; H61-F63 WeakPolarHBondContact CD2-CD2 3.39Å; H61-F63 AromaticContact NE2-CD2 3.73Å; H61-F63 PolarHBondContact O-N 3.48Å; H61-E143 IonicContact CD2-OE1 2.74Å; H61-E143 PolarHBondContact CD2-OE1 2.83Å; H61-E143 IonicContact CD2-OE2 3.98Å; H61-E143 IonicContact CE1-OE2 3.29Å; H61-E143 VanDerWaalsContact NE2-CD 3.31Å; H61-E143 IonicContact NE2-OE1 3.21Å; H61-E143 PolarHBondContact NE2-OE1 3.35Å; H61-E143 VanDerWaalsContact NE2-OE1 3.15Å; H61-E143 IonicContact NE2-OE2 2.73Å; H61-E143 PolarHBondContact NE2-OE2 3.49Å; H61-L154 PolarHBondContact CE1-O 3.32Å; H61-Y252 HydrophobicContact CB-CE2 4.19Å; H61-Y252 AromaticContact ND1-CE2 3.9Å; H61-L256 HydrophobicContact CB-CD2 3.96Å
62	S	91.5	Very high	85	Confident	104 Å²	104	88.4 Å²	88.4	73%	0.727	45%	0.448	S	S	*	.			trans	-92.5	49.7	-175.7	-56.5	0	0	0	0	111.6	P60	P60-S62 VanDerWaalsContact C-N 3.28Å; P60-S62 PolarHBondContact O-N 3.36Å
63	F	96.3	Very high	87.6	Confident	60 Å²	60	81.4 Å²	81.4	26%	0.263	41%	0.411	S	S	.	.			trans	-99.1	146.4	174.3	-57	-71.5	0	0	0	110.2	H61 E143 D144 F145 L154 R161	H61-F63 VanDerWaalsContact C-N 3.26Å; H61-F63 AromaticContact CD2-CD2 3.49Å; H61-F63 VanDerWaalsContact CD2-CD2 3.49Å; H61-F63 WeakPolarHBondContact CD2-CD2 3.39Å; H61-F63 AromaticContact NE2-CD2 3.73Å; H61-F63 PolarHBondContact O-N 3.48Å; F63-E143 HydrophobicContact CB-CG 3.44Å; F63-E143 VanDerWaalsContact CB-CG 3.44Å; F63-D144 WeakPolarHBondContact CD1-O 3.03Å; F63-F145 HydrophobicContact CD1-CB 3.99Å; F63-F145 HydrophobicContact CD2-CB 4.25Å; F63-F145 HydrophobicContact CD2-CD1 4.27Å; F63-F145 HydrophobicContact CE1-CB 3.77Å; F63-F145 HydrophobicContact CE2-CB 4.08Å; F63-F145 HydrophobicContact CG-CB 4.23Å; F63-F145 HydrophobicContact CG-CD1 4.49Å; F63-F145 HydrophobicContact CZ-CB 3.83Å; F63-L154 HydrophobicContact CE2-CD1 3.93Å; F63-L154 HydrophobicContact CE2-CD2 4.19Å; F63-L154 HydrophobicContact CZ-CD1 4.16Å; F63-R161 PolarHBondContact O-NH1 2.78Å
64	D	97.3	Very high	89.8	Confident	115 Å²	115	81.4 Å²	81.4	62%	0.615	41%	0.408	S	S	*	.			trans	-92.2	144.4	178.2	-66.8	-38.4	0	0	0	110.6	L66 E143 D144	D64-L66 PolarHBondContact O-N 3.1Å; D64-E143 VanDerWaalsContact O-CA 3.31Å; D64-E143 WeakPolarHBondContact O-CA 3.08Å; D64-E143 VanDerWaalsContact O-CG 3.31Å; D64-E143 WeakPolarHBondContact O-CG 3.48Å; D64-D144 PolarHBondContact O-N 2.96Å
65	F	98.2	Very high	91.5	Very high	45 Å²	45	79.9 Å²	79.9	20%	0.197	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	112	169.4	-65.6	-73.2	0	0	0	108.9	N68 I141 V142 E143 M158 R161 W162 F166	F65-N68 HydrophobicContact CB-CB 3.91Å; F65-N68 HydrophobicContact CG-CB 4.47Å; F65-I141 HydrophobicContact CD1-CG2 3.71Å; F65-I141 HydrophobicContact CE1-CG2 3.8Å; F65-V142 CarbonylContact C-O 3.49Å; F65-V142 WeakPolarHBondContact CA-O 3.24Å; F65-E143 HydrophobicContact CD1-CB 4.31Å; F65-E143 HydrophobicContact CD1-CG 4.4Å; F65-M158 HydrophobicContact CE1-CG 3.79Å; F65-R161 HydrophobicContact CZ-CG 4.5Å; F65-W162 HydrophobicContact CE1-CB 4.43Å; F65-W162 HydrophobicContact CZ-CB 4.27Å; F65-F166 HydrophobicContact CD2-CE2 4.45Å; F65-F166 AromaticContact CE2-CE2 3.96Å; F65-F166 HydrophobicContact CE2-CE2 3.96Å; F65-F166 HydrophobicContact CZ-CE2 4.42Å
66	L	98.2	Very high	92.6	Very high	86 Å²	86	78.8 Å²	78.8	45%	0.45	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-40.7	175.4	-60.1	179.9	0	0	0	111	D64 K120 V142 D144	D64-L66 PolarHBondContact O-N 3.1Å; L66-K120 HydrophobicContact CD1-CB 4.23Å; L66-K120 HydrophobicContact CD1-CD 4.04Å; L66-K120 HydrophobicContact CD1-CG 4.41Å; L66-V142 HydrophobicContact CB-CB 4.34Å; L66-V142 HydrophobicContact CB-CG1 4.22Å; L66-V142 HydrophobicContact CD1-CG1 4.21Å; L66-V142 PolarHBondContact N-O 3.04Å; L66-D144 HydrophobicContact CD1-CB 3.96Å; L66-D144 HydrophobicContact CD2-CB 3.98Å; L66-D144 HydrophobicContact CG-CB 3.94Å
67	I	98.6	Very high	93.4	Very high	22 Å²	22	71.2 Å²	71.2	11%	0.113	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.7	170.2	-55.3	-176.9	0	0	0	106.8	V130 E131 S134 I140 V142	I67-V130 HydrophobicContact CD1-CG1 4.16Å; I67-E131 HydrophobicContact CD1-CB 4.37Å; I67-E131 HydrophobicContact CD1-CG 3.76Å; I67-E131 HydrophobicContact CG1-CG 4.41Å; I67-S134 WeakPolarHBondContact CG2-OG 3.38Å; I67-I140 WeakPolarHBondContact CG2-O 3.23Å; I67-V142 HydrophobicContact CB-CB 3.92Å; I67-V142 HydrophobicContact CB-CG2 3.88Å; I67-V142 HydrophobicContact CD1-CB 4.35Å; I67-V142 HydrophobicContact CD1-CG2 3.68Å; I67-V142 HydrophobicContact CG1-CB 4.04Å; I67-V142 HydrophobicContact CG1-CG2 3.9Å; I67-V142 PolarHBondContact N-O 2.83Å; I67-V142 PolarHBondContact O-N 3.19Å
68	N	97.8	Very high	94	Very high	44 Å²	44	68.5 Å²	68.5	24%	0.235	37%	0.365	C	S	.	.			trans	-141.5	156.1	-176.8	-165.6	10.6	0	0	0	111.1	F65 P70 W162 F166	F65-N68 HydrophobicContact CB-CB 3.91Å; F65-N68 HydrophobicContact CG-CB 4.47Å; N68-P70 VanDerWaalsContact C-CD 3.44Å; N68-P70 WeakPolarHBondContact O-CD 3.34Å; N68-W162 VanDerWaalsContact OD1-CD1 3.29Å; N68-W162 PolarHBondContact OD1-NE1 3.16Å; N68-F166 WeakPolarHBondContact ND2-CZ 2.87Å
69	E	97.3	Very high	94.4	Very high	26 Å²	26	64.7 Å²	64.7	12%	0.121	34%	0.344	C	S	.	.			trans	-125.1	54.1	178.1	-66.7	-60	160.8	0	0	111.8	N71 K72 L115 H138 W162	E69-N71 PolarHBondContact O-N 3.46Å; E69-K72 HydrophobicContact CB-CB 4.23Å; E69-K72 WeakPolarHBondContact O-CB 3.48Å; E69-K72 PolarHBondContact O-N 3.22Å; E69-L115 HydrophobicContact CB-CD2 4.32Å; E69-L115 HydrophobicContact CG-CD2 4.43Å; E69-H138 VanDerWaalsContact OE1-CA 3.24Å; E69-H138 WeakPolarHBondContact OE1-CA 3.35Å; E69-H138 IonicContact OE1-ND1 2.77Å; E69-W162 HydrophobicContact CB-CZ2 4.35Å; E69-W162 WeakPolarHBondContact O-CZ2 3.05Å
70	P	96.7	Very high	95	Very high	52 Å²	52	63 Å²	63	34%	0.338	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24	-165.8	26.6	-36.2	0	0	0	114	N68 F166	N68-P70 VanDerWaalsContact C-CD 3.44Å; N68-P70 WeakPolarHBondContact O-CD 3.34Å; P70-F166 HydrophobicContact CB-CD1 3.73Å; P70-F166 HydrophobicContact CB-CE1 3.69Å; P70-F166 HydrophobicContact CB-CZ 4.43Å
71	N	95.9	Very high	95.5	Very high	107 Å²	107	59 Å²	59	57%	0.572	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.9	-174.7	-54.9	-24.4	0	0	0	113.2	E69 C73 E74	E69-N71 PolarHBondContact O-N 3.46Å; N71-C73 PolarHBondContact O-N 2.87Å; N71-C73 VanDerWaalsContact O-N 3.12Å; N71-E74 PolarHBondContact O-N 2.55Å; N71-E74 VanDerWaalsContact O-N 3.08Å; N71-E74 PolarHBondContact OD1-OE2 3.02Å
72	K	95.1	Very high	95.9	Very high	56 Å²	56	58.4 Å²	58.4	24%	0.243	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.9	-175.2	-168.4	80.8	171.3	-172.4	0	112.9	E69 E104 A113 L115 H138 W162	E69-K72 HydrophobicContact CB-CB 4.23Å; E69-K72 WeakPolarHBondContact O-CB 3.48Å; E69-K72 PolarHBondContact O-N 3.22Å; K72-E104 WeakPolarHBondContact CE-OE1 3.46Å; K72-E104 IonicContact NZ-OE1 3.45Å; K72-E104 PolarHBondContact NZ-OE1 2.71Å; K72-E104 IonicContact NZ-OE2 2.74Å; K72-A113 HydrophobicContact CG-CB 4.31Å; K72-L115 HydrophobicContact CG-CD2 4.38Å; K72-H138 PolarHBondContact NZ-O 3.05Å; K72-H138 VanDerWaalsContact NZ-O 3.16Å; K72-W162 HydrophobicContact CB-CH2 4.05Å; K72-W162 HydrophobicContact CB-CZ2 4.17Å
73	C	95.5	Very high	96.3	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.061	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	4.1	179	-60.6	0	0	0	0	114.8	N71 P78 F166 C167	N71-C73 PolarHBondContact O-N 2.87Å; N71-C73 VanDerWaalsContact O-N 3.12Å; C73-P78 HydrophobicContact CB-CG 4.45Å; C73-F166 WeakPolarHBondContact CB-O 3.29Å; C73-C167 HydrophobicContact CB-CB 3.72Å; C73-C167 WeakPolarHBondContact CB-SG 3.13Å; C73-C167 WeakPolarHBondContact SG-CB 3.34Å; C73-C167 CovalentContact SG-SG 2.04Å; C73-C167 PolarHBondContact SG-SG 3.09Å
74	E	91	Very high	96.4	Very high	142 Å²	142	50.8 Å²	50.8	66%	0.664	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-49.2	-173	-173.2	-177.7	-167.1	0	0	111.8	N71	N71-E74 PolarHBondContact O-N 2.55Å; N71-E74 VanDerWaalsContact O-N 3.08Å; N71-E74 PolarHBondContact OD1-OE2 3.02Å
75	K	88.6	Confident	96.5	Very high	206 Å²	206	45.6 Å²	45.6	90%	0.896	23%	0.233	S	C	*	.	S	Bend	trans	-74.6	-33.4	-176.2	-65.6	-177.9	-178.7	175.8	0	113.2
76	S	89.9	Confident	96.5	Very high	56 Å²	56	43.6 Å²	43.6	39%	0.392	22%	0.224	S	C	.	.	S	Bend	trans	-148.2	120.3	-175.5	175.9	0	0	0	0	109.5	P78	S76-P78 VanDerWaalsContact O-CD 3.22Å; S76-P78 WeakPolarHBondContact O-CD 3.41Å
77	V	95.1	Very high	96.4	Very high	66 Å²	66	42.3 Å²	42.3	40%	0.4	22%	0.22	S	C	.	.			trans	-71.1	118.4	177.9	179.2	0	0	0	0	109.5	K169	V77-K169 HydrophobicContact CB-CB 4.45Å; V77-K169 HydrophobicContact CG1-CB 3.64Å; V77-K169 WeakPolarHBondContact CG1-O 3.43Å; V77-K169 HydrophobicContact CG2-CB 3.89Å; V77-K169 HydrophobicContact CG2-CD 4.23Å
78	P	97.1	Very high	96.4	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.039	22%	0.217	C	C	.	.			trans	-67.3	146.5	177.5	-20.4	34.3	0	0	0	111.9	C73 S76 V81 K111 A113 A170	C73-P78 HydrophobicContact CB-CG 4.45Å; S76-P78 VanDerWaalsContact O-CD 3.22Å; S76-P78 WeakPolarHBondContact O-CD 3.41Å; P78-V81 HydrophobicContact CB-CG2 4.28Å; P78-V81 HydrophobicContact CG-CG2 4.37Å; P78-K111 CarbonylContact C-O 3.55Å; P78-A113 HydrophobicContact CB-CB 4.22Å; P78-A113 HydrophobicContact CG-CB 3.78Å; P78-A170 VanDerWaalsContact O-CA 3.29Å; P78-A170 WeakPolarHBondContact O-CA 3.05Å
79	F	98.1	Very high	96.4	Very high	25 Å²	25	47.7 Å²	47.7	11%	0.11	24%	0.241	C	C	.	.	S	Bend	trans	-68.6	-42.6	164.4	176.7	-103.9	0	0	0	110.7	I110 K111 K171 Y172 L192 P194	F79-I110 HydrophobicContact CB-CG2 3.77Å; F79-I110 HydrophobicContact CD1-CG2 3.67Å; F79-I110 HydrophobicContact CG-CG2 3.94Å; F79-K111 WeakPolarHBondContact CB-O 3.49Å; F79-K111 PolarHBondContact N-O 3.33Å; F79-K171 HydrophobicContact CD2-CB 4Å; F79-K171 HydrophobicContact CD2-CG 3.89Å; F79-K171 HydrophobicContact CE2-CB 4.21Å; F79-K171 HydrophobicContact CE2-CG 4.35Å; F79-K171 WeakPolarHBondContact O-CB 3.41Å; F79-K171 PolarHBondContact O-N 3.36Å; F79-Y172 HydrophobicContact CE1-CD2 4.18Å; F79-Y172 HydrophobicContact CE2-CD2 4.04Å; F79-Y172 AromaticContact CE2-CE2 3.98Å; F79-Y172 HydrophobicContact CE2-CE2 3.98Å; F79-Y172 AromaticContact CZ-CD2 3.75Å; F79-Y172 HydrophobicContact CZ-CD2 3.75Å; F79-Y172 AromaticContact CZ-CE2 3.77Å; F79-Y172 HydrophobicContact CZ-CE2 3.77Å; F79-Y172 PolarHBondContact O-N 2.87Å; F79-L192 HydrophobicContact CE1-CB 3.73Å; F79-L192 HydrophobicContact CE1-CD1 3.79Å; F79-L192 HydrophobicContact CE1-CG 4.42Å; F79-L192 HydrophobicContact CZ-CB 3.76Å; F79-L192 HydrophobicContact CZ-CD1 4.47Å; F79-P194 HydrophobicContact CD1-CG 4.49Å; F79-P194 HydrophobicContact CD2-CB 4.46Å; F79-P194 HydrophobicContact CE1-CB 4.42Å; F79-P194 HydrophobicContact CE1-CG 3.88Å; F79-P194 HydrophobicContact CE2-CB 3.96Å; F79-P194 HydrophobicContact CE2-CG 4.29Å; F79-P194 HydrophobicContact CZ-CB 3.93Å; F79-P194 HydrophobicContact CZ-CG 3.76Å
80	L	98.7	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.8	-178.7	177.4	63.6	0	0	0	110.1	I82 K111 I112 A113 Y172 M174 M184 L187 L192 I242	L80-I82 HydrophobicContact CD2-CD1 4.14Å; L80-I82 HydrophobicContact CD2-CG1 3.92Å; L80-I82 HydrophobicContact CG-CG1 3.92Å; L80-K111 PolarHBondContact N-O 3.09Å; L80-I112 HydrophobicContact CB-CG1 4.5Å; L80-I112 VanDerWaalsContact O-CA 3.32Å; L80-I112 WeakPolarHBondContact O-CA 3.48Å; L80-A113 PolarHBondContact O-N 3.11Å; L80-Y172 WeakPolarHBondContact CA-O 3.42Å; L80-M174 HydrophobicContact CD1-CB 4.23Å; L80-M184 HydrophobicContact CD2-CE 3.95Å; L80-L187 HydrophobicContact CD2-CD2 3.78Å; L80-L187 HydrophobicContact CD2-CG 4.49Å; L80-L192 HydrophobicContact CD1-CD1 4.08Å; L80-L192 HydrophobicContact CD2-CD1 4.26Å; L80-I242 HydrophobicContact CD1-CD1 4.26Å
81	V	98.8	Very high	96.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.8	164.4	-177.6	0	0	0	0	108.1	P78 L83 A113 L115 W162 V163 C167 A170 Y172 V173 M174	P78-V81 HydrophobicContact CB-CG2 4.28Å; P78-V81 HydrophobicContact CG-CG2 4.37Å; V81-L83 HydrophobicContact CG1-CD2 3.81Å; V81-L83 HydrophobicContact CG1-CG 4.28Å; V81-A113 CarbonylContact C-O 3.42Å; V81-A113 WeakPolarHBondContact CA-O 3.28Å; V81-L115 HydrophobicContact CG1-CD1 4.1Å; V81-W162 HydrophobicContact CG1-CZ3 4.5Å; V81-V163 HydrophobicContact CG1-CG2 4.08Å; V81-C167 HydrophobicContact CG2-CB 4.38Å; V81-C167 WeakPolarHBondContact CG2-SG 3.29Å; V81-A170 HydrophobicContact CG2-CB 3.85Å; V81-Y172 PolarHBondContact N-O 3.2Å; V81-V173 CarbonylContact O-C 3.49Å; V81-V173 VanDerWaalsContact O-CA 3.23Å; V81-V173 WeakPolarHBondContact O-CA 3.45Å; V81-M174 PolarHBondContact O-N 2.94Å
82	I	98.9	Very high	96.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.5	176.7	-49.1	178	0	0	0	108	L80 I84 W101 I112 A113 L115 M174 T176 M184	L80-I82 HydrophobicContact CD2-CD1 4.14Å; L80-I82 HydrophobicContact CD2-CG1 3.92Å; L80-I82 HydrophobicContact CG-CG1 3.92Å; I82-I84 HydrophobicContact CG2-CD1 4.23Å; I82-I84 HydrophobicContact CG2-CG1 3.82Å; I82-W101 HydrophobicContact CD1-CZ3 4.47Å; I82-W101 HydrophobicContact CG2-CZ3 4.12Å; I82-I112 HydrophobicContact CD1-CG2 3.8Å; I82-I112 HydrophobicContact CG1-CG2 4.08Å; I82-A113 PolarHBondContact N-O 2.89Å; I82-L115 PolarHBondContact O-N 3.32Å; I82-M174 HydrophobicContact CG1-CB 4.45Å; I82-M174 HydrophobicContact CG2-CB 4.21Å; I82-M174 HydrophobicContact CG2-CG 4.43Å; I82-T176 HydrophobicContact CG2-CG2 4.23Å; I82-M184 HydrophobicContact CD1-CE 3.67Å; I82-M184 HydrophobicContact CD1-SD 4.11Å
83	L	98.9	Very high	96.8	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114	178.6	-58.5	179.6	0	0	0	108.4	V81 L115 L117 V163 V173 M174 K175 T176	V81-L83 HydrophobicContact CG1-CD2 3.81Å; V81-L83 HydrophobicContact CG1-CG 4.28Å; L83-L115 HydrophobicContact CD2-CB 4.28Å; L83-L115 HydrophobicContact CD2-CD1 4.25Å; L83-L117 HydrophobicContact CB-CD1 3.93Å; L83-L117 HydrophobicContact CB-CG 4.41Å; L83-L117 HydrophobicContact CD2-CD2 4.29Å; L83-V163 HydrophobicContact CD1-CG2 3.98Å; L83-V163 HydrophobicContact CD2-CG2 4.23Å; L83-V163 HydrophobicContact CG-CG2 4.48Å; L83-V173 HydrophobicContact CD1-CG1 3.62Å; L83-V173 HydrophobicContact CG-CG1 3.89Å; L83-M174 WeakPolarHBondContact CB-O 3.15Å; L83-M174 PolarHBondContact N-O 3.08Å; L83-K175 WeakPolarHBondContact O-CA 3.34Å; L83-T176 PolarHBondContact O-N 2.92Å
84	I	98.9	Very high	97	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.9	-173.1	-53.6	166.1	0	0	0	108.4	I82 T86 I97 W101 T114 L115 F116 L117 T176	I82-I84 HydrophobicContact CG2-CD1 4.23Å; I82-I84 HydrophobicContact CG2-CG1 3.82Å; I84-T86 HydrophobicContact CG2-CG2 3.97Å; I84-T86 PolarHBondContact O-N 2.93Å; I84-I97 HydrophobicContact CD1-CD1 4.34Å; I84-I97 HydrophobicContact CD1-CG2 3.72Å; I84-I97 HydrophobicContact CG2-CD1 4.02Å; I84-W101 HydrophobicContact CD1-CH2 3.73Å; I84-W101 HydrophobicContact CD1-CZ3 4.14Å; I84-W101 HydrophobicContact CG1-CH2 4.12Å; I84-T114 HydrophobicContact CD1-CG2 3.5Å; I84-L115 PolarHBondContact N-O 3.04Å; I84-F116 HydrophobicContact CB-CD1 3.76Å; I84-F116 HydrophobicContact CB-CE1 4.14Å; I84-F116 HydrophobicContact CD1-CD1 3.89Å; I84-F116 HydrophobicContact CD1-CE1 3.47Å; I84-F116 VanDerWaalsContact CD1-CE1 3.47Å; I84-F116 HydrophobicContact CD1-CZ 4.14Å; I84-F116 HydrophobicContact CG1-CD1 4.43Å; I84-F116 HydrophobicContact CG1-CE1 4.41Å; I84-F116 HydrophobicContact CG2-CD1 3.95Å; I84-F116 HydrophobicContact CG2-CE1 4.12Å; I84-F116 WeakPolarHBondContact O-CA 2.99Å; I84-L117 PolarHBondContact O-N 2.95Å; I84-T176 WeakPolarHBondContact CA-O 3.28Å; I84-T176 HydrophobicContact CB-CG2 4.5Å; I84-T176 HydrophobicContact CG1-CG2 3.91Å; I84-T176 HydrophobicContact CG2-CG2 4.48Å
85	S	98.6	Very high	97.4	Very high	7 Å²	7	43.5 Å²	43.5	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120.1	174.4	-64	0	0	0	0	109.9	T176 S178	S85-T176 PolarHBondContact N-O 3.02Å; S85-S178 PolarHBondContact O-N 2.81Å
86	T	98.3	Very high	97.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.175	C	C	.	.			trans	-132.8	172.7	178.4	58.5	0	0	0	0	110.3	I84 R94 F116 L117 K155	I84-T86 HydrophobicContact CG2-CG2 3.97Å; I84-T86 PolarHBondContact O-N 2.93Å; T86-R94 HydrophobicContact CG2-CG 3.76Å; T86-F116 HydrophobicContact CG2-CD1 3.75Å; T86-F116 HydrophobicContact CG2-CE1 4.47Å; T86-L117 PolarHBondContact N-O 3.08Å; T86-K155 PolarHBondContact O-NZ 2.8Å
87	T	97.9	Very high	98.3	Very high	59 Å²	59	31 Å²	31	36%	0.362	16%	0.156	S	C	.	.			trans	-118.4	164.5	169.9	69.1	0	0	0	0	110.3	K89 E90 R94	T87-K89 PolarHBondContact O-N 3.42Å; T87-K89 VanDerWaalsContact O-N 3.14Å; T87-E90 WeakPolarHBondContact CA-OE2 3.33Å; T87-E90 VanDerWaalsContact CB-OE2 3.3Å; T87-E90 WeakPolarHBondContact CB-OE2 3.46Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.48Å; T87-E90 PolarHBondContact N-OE2 2.98Å; T87-E90 PolarHBondContact O-N 2.75Å; T87-E90 WeakPolarHBondContact OG1-CG 3.3Å; T87-E90 PolarHBondContact OG1-OE2 2.8Å; T87-R94 PolarHBondContact O-NH1 3.31Å
88	H	98	Very high	98.5	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.046	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.3	-176.6	-62.4	71	0	0	0	113	E90 R94 G119 N121 L126 N127 V130	H88-E90 VanDerWaalsContact C-N 3.29Å; H88-E90 PolarHBondContact O-N 2.73Å; H88-R94 PolarHBondContact O-NH2 3.16Å; H88-G119 PolarHBondContact CE1-O 3.39Å; H88-G119 PolarHBondContact NE2-O 2.99Å; H88-N121 PolarHBondContact CE1-N 2.86Å; H88-N121 VanDerWaalsContact CE1-N 3.33Å; H88-N121 PolarHBondContact ND1-ND2 3.46Å; H88-N121 PolarHBondContact NE2-N 3.46Å; H88-L126 HydrophobicContact CB-CB 3.97Å; H88-L126 HydrophobicContact CB-CD1 4.36Å; H88-N127 PolarHBondContact NE2-OD1 2.84Å; H88-V130 HydrophobicContact CB-CG2 4.15Å
89	K	97.6	Very high	98.5	Very high	169 Å²	169	33.9 Å²	33.9	74%	0.735	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.7	-177.8	-63.6	-176.1	178.6	-177.8	0	113.7	T87 F91 L126	T87-K89 PolarHBondContact O-N 3.42Å; T87-K89 VanDerWaalsContact O-N 3.14Å; K89-F91 PolarHBondContact O-N 3.37Å; K89-F91 VanDerWaalsContact O-N 3.13Å; K89-L126 HydrophobicContact CG-CD1 4.26Å; K89-L126 HydrophobicContact CG-CD2 4.47Å
90	E	98.2	Very high	98.5	Very high	56 Å²	56	32.7 Å²	32.7	26%	0.262	16%	0.158	S	C	.	.			trans	-89.1	44.2	-175.7	-70	172	108.8	0	0	112.6	T87 H88 A93 R94 S178	T87-E90 WeakPolarHBondContact CA-OE2 3.33Å; T87-E90 VanDerWaalsContact CB-OE2 3.3Å; T87-E90 WeakPolarHBondContact CB-OE2 3.46Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.48Å; T87-E90 PolarHBondContact N-OE2 2.98Å; T87-E90 PolarHBondContact O-N 2.75Å; T87-E90 WeakPolarHBondContact OG1-CG 3.3Å; T87-E90 PolarHBondContact OG1-OE2 2.8Å; H88-E90 VanDerWaalsContact C-N 3.29Å; H88-E90 PolarHBondContact O-N 2.73Å; E90-A93 HydrophobicContact CB-CB 4.11Å; E90-A93 PolarHBondContact O-N 3.47Å; E90-R94 VanDerWaalsContact C-NH1 3.34Å; E90-R94 WeakPolarHBondContact O-CG 3.07Å; E90-R94 PolarHBondContact O-N 2.87Å; E90-R94 VanDerWaalsContact O-N 3.11Å; E90-R94 PolarHBondContact O-NH1 3.11Å; E90-S178 PolarHBondContact OE1-OG 3.16Å
91	F	98.5	Very high	98.5	Very high	85 Å²	85	32.8 Å²	32.8	37%	0.373	16%	0.158	S	C	.	.	H	α-helix	trans	-58.6	-48.2	175	177.5	-92.6	0	0	0	111	K89 A93 R94 Q95 E133	K89-F91 PolarHBondContact O-N 3.37Å; K89-F91 VanDerWaalsContact O-N 3.13Å; F91-A93 VanDerWaalsContact C-N 3.27Å; F91-A93 PolarHBondContact O-N 3.17Å; F91-R94 WeakPolarHBondContact O-CB 3.19Å; F91-R94 PolarHBondContact O-N 2.97Å; F91-R94 VanDerWaalsContact O-N 3.12Å; F91-Q95 HydrophobicContact CE1-CB 4.46Å; F91-Q95 PolarHBondContact O-N 2.83Å; F91-E133 HydrophobicContact CD2-CG 4.2Å; F91-E133 WeakPolarHBondContact CD2-OE2 3.29Å; F91-E133 HydrophobicContact CE2-CB 4.46Å; F91-E133 HydrophobicContact CE2-CG 3.89Å
92	D	98.6	Very high	98.5	Very high	109 Å²	109	32.9 Å²	32.9	58%	0.583	16%	0.16	S	C	*	.	H	α-helix	trans	-62.2	-34.5	-178.9	-61.5	-26.7	0	0	0	112.5	Q95 A96 P308	D92-Q95 PolarHBondContact O-N 3.42Å; D92-A96 WeakPolarHBondContact O-CB 3.17Å; D92-A96 PolarHBondContact O-N 3.31Å; D92-P308 HydrophobicContact CB-CB 4.49Å; D92-P308 HydrophobicContact CB-CG 4.19Å
93	A	98.8	Very high	98.4	Very high	10 Å²	10	35.2 Å²	35.2	8%	0.083	17%	0.172	C	C	.	.	H	α-helix	trans	-69.1	-43.5	175.1	0	0	0	0	0	111.7	E90 F91 Q95 A96 I97 P308	E90-A93 HydrophobicContact CB-CB 4.11Å; E90-A93 PolarHBondContact O-N 3.47Å; F91-A93 VanDerWaalsContact C-N 3.27Å; F91-A93 PolarHBondContact O-N 3.17Å; A93-Q95 VanDerWaalsContact C-N 3.31Å; A93-Q95 PolarHBondContact O-N 2.9Å; A93-A96 PolarHBondContact O-N 3.31Å; A93-I97 WeakPolarHBondContact O-CD1 3.14Å; A93-I97 WeakPolarHBondContact O-CG1 3.35Å; A93-I97 PolarHBondContact O-N 3.17Å; A93-P308 HydrophobicContact CB-CG 4.26Å
94	R	98.8	Very high	98.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-46.2	173.7	-69.5	-169.4	-68.6	-80.3	10.4	110.9	T86 T87 H88 E90 F91 I97 R98 F116 E133	T86-R94 HydrophobicContact CG2-CG 3.76Å; T87-R94 PolarHBondContact O-NH1 3.31Å; H88-R94 PolarHBondContact O-NH2 3.16Å; E90-R94 VanDerWaalsContact C-NH1 3.34Å; E90-R94 WeakPolarHBondContact O-CG 3.07Å; E90-R94 PolarHBondContact O-N 2.87Å; E90-R94 VanDerWaalsContact O-N 3.11Å; E90-R94 PolarHBondContact O-NH1 3.11Å; F91-R94 WeakPolarHBondContact O-CB 3.19Å; F91-R94 PolarHBondContact O-N 2.97Å; F91-R94 VanDerWaalsContact O-N 3.12Å; R94-I97 PolarHBondContact O-N 2.79Å; R94-R98 WeakPolarHBondContact O-CG 3.34Å; R94-R98 PolarHBondContact O-N 3.43Å; R94-F116 HydrophobicContact CB-CD1 4.27Å; R94-F116 HydrophobicContact CB-CD2 4.37Å; R94-F116 HydrophobicContact CB-CE1 3.97Å; R94-F116 HydrophobicContact CB-CE2 4.1Å; R94-F116 HydrophobicContact CB-CG 4.44Å; R94-F116 HydrophobicContact CB-CZ 3.88Å; R94-F116 HydrophobicContact CG-CB 4.41Å; R94-F116 HydrophobicContact CG-CD1 3.61Å; R94-F116 HydrophobicContact CG-CD2 4.18Å; R94-F116 HydrophobicContact CG-CE1 3.78Å; R94-F116 HydrophobicContact CG-CE2 4.34Å; R94-F116 HydrophobicContact CG-CG 3.8Å; R94-F116 HydrophobicContact CG-CZ 4.14Å; R94-F116 WeakPolarHBondContact O-CZ 3.45Å; R94-E133 IonicContact CZ-OE1 3.73Å; R94-E133 IonicContact CZ-OE2 3.81Å; R94-E133 VanDerWaalsContact CZ-OE2 3.23Å; R94-E133 VanDerWaalsContact NE-CD 3.3Å; R94-E133 IonicContact NE-OE1 3.57Å; R94-E133 PolarHBondContact NE-OE1 3.37Å; R94-E133 IonicContact NE-OE2 3.28Å; R94-E133 PolarHBondContact NE-OE2 2.86Å; R94-E133 IonicContact NH2-OE1 3.04Å; R94-E133 IonicContact NH2-OE2 3.09Å; R94-E133 PolarHBondContact NH2-OE2 2.73Å
95	Q	98.8	Very high	98	Very high	43 Å²	43	44 Å²	44	20%	0.201	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-46.8	179.4	-169.5	61.1	18	0	0	112.1	F91 D92 A93 I97 R98 E99	F91-Q95 HydrophobicContact CE1-CB 4.46Å; F91-Q95 PolarHBondContact O-N 2.83Å; D92-Q95 PolarHBondContact O-N 3.42Å; A93-Q95 VanDerWaalsContact C-N 3.31Å; A93-Q95 PolarHBondContact O-N 2.9Å; Q95-I97 VanDerWaalsContact C-N 3.27Å; Q95-I97 PolarHBondContact O-N 3.19Å; Q95-R98 WeakPolarHBondContact O-CB 3.39Å; Q95-R98 PolarHBondContact O-N 3.34Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.29Å; Q95-E99 PolarHBondContact NE2-OE1 2.77Å; Q95-E99 WeakPolarHBondContact O-CG 3.47Å; Q95-E99 PolarHBondContact O-N 3.48Å
96	A	98.9	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-38.5	176.5	0	0	0	0	0	112.3	D92 A93 E99 T100 P308 M311 H312	D92-A96 WeakPolarHBondContact O-CB 3.17Å; D92-A96 PolarHBondContact O-N 3.31Å; A93-A96 PolarHBondContact O-N 3.31Å; A96-E99 PolarHBondContact O-N 3.03Å; A96-T100 VanDerWaalsContact O-CB 3.31Å; A96-T100 WeakPolarHBondContact O-CB 3.35Å; A96-T100 VanDerWaalsContact O-CG2 3.26Å; A96-T100 WeakPolarHBondContact O-CG2 3.47Å; A96-T100 PolarHBondContact O-N 3.33Å; A96-T100 VanDerWaalsContact O-N 3.11Å; A96-T100 PolarHBondContact O-OG1 3.05Å; A96-P308 HydrophobicContact CB-CB 3.77Å; A96-M311 HydrophobicContact CB-SD 4.03Å; A96-H312 WeakPolarHBondContact CA-NE2 3.48Å; A96-H312 WeakPolarHBondContact CB-NE2 3.47Å
97	I	98.9	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-46.7	176.2	-67.1	167.5	0	0	0	111	I84 A93 R94 Q95 E99 T100 W101 G102 F116 M311	I84-I97 HydrophobicContact CD1-CD1 4.34Å; I84-I97 HydrophobicContact CD1-CG2 3.72Å; I84-I97 HydrophobicContact CG2-CD1 4.02Å; A93-I97 WeakPolarHBondContact O-CD1 3.14Å; A93-I97 WeakPolarHBondContact O-CG1 3.35Å; A93-I97 PolarHBondContact O-N 3.17Å; R94-I97 PolarHBondContact O-N 2.79Å; Q95-I97 VanDerWaalsContact C-N 3.27Å; Q95-I97 PolarHBondContact O-N 3.19Å; I97-E99 PolarHBondContact O-N 3.39Å; I97-T100 CarbonylContact O-C 3.01Å; I97-T100 PolarHBondContact O-N 3.2Å; I97-T100 VanDerWaalsContact O-N 3.13Å; I97-W101 HydrophobicContact CB-CZ2 4.18Å; I97-W101 HydrophobicContact CD1-CH2 4.15Å; I97-W101 HydrophobicContact CD1-CZ2 3.62Å; I97-W101 HydrophobicContact CG1-CH2 4.26Å; I97-W101 HydrophobicContact CG1-CZ2 3.49Å; I97-W101 VanDerWaalsContact CG1-CZ2 3.49Å; I97-W101 HydrophobicContact CG2-CD2 4.16Å; I97-W101 HydrophobicContact CG2-CE3 4.19Å; I97-W101 HydrophobicContact CG2-CH2 3.67Å; I97-W101 HydrophobicContact CG2-CZ2 3.63Å; I97-W101 HydrophobicContact CG2-CZ3 3.94Å; I97-G102 VanDerWaalsContact O-CA 3.23Å; I97-G102 WeakPolarHBondContact O-CA 3.46Å; I97-G102 PolarHBondContact O-N 3.15Å; I97-F116 HydrophobicContact CB-CE1 4.19Å; I97-F116 HydrophobicContact CB-CZ 4.13Å; I97-F116 HydrophobicContact CD1-CE1 4.07Å; I97-F116 HydrophobicContact CG2-CE1 4.17Å; I97-F116 HydrophobicContact CG2-CZ 4.09Å; I97-M311 HydrophobicContact CB-SD 4.35Å; I97-M311 HydrophobicContact CD1-CE 4.4Å; I97-M311 HydrophobicContact CG1-CE 3.75Å; I97-M311 HydrophobicContact CG1-SD 3.53Å; I97-M311 VanDerWaalsContact CG1-SD 3.53Å
98	R	98.6	Very high	96.9	Very high	27 Å²	27	54.2 Å²	54.2	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-39.3	176.6	-71.4	177.3	-172.6	114.8	5.1	112.4	R94 Q95 T100 D103 F116 E133 D139	R94-R98 WeakPolarHBondContact O-CG 3.34Å; R94-R98 PolarHBondContact O-N 3.43Å; Q95-R98 WeakPolarHBondContact O-CB 3.39Å; Q95-R98 PolarHBondContact O-N 3.34Å; R98-T100 VanDerWaalsContact C-N 3.34Å; R98-D103 WeakPolarHBondContact O-CB 3.38Å; R98-F116 HydrophobicContact CG-CE2 3.91Å; R98-F116 HydrophobicContact CG-CZ 4.08Å; R98-E133 IonicContact CZ-OE1 2.79Å; R98-E133 IonicContact NH1-OE1 2.66Å; R98-E133 PolarHBondContact NH1-OE1 2.79Å; R98-E133 IonicContact NH2-OE1 3.23Å; R98-E133 PolarHBondContact NH2-OE1 3.03Å; R98-D139 IonicContact CZ-OD1 3.74Å; R98-D139 IonicContact CZ-OD2 2.81Å; R98-D139 IonicContact NE-OD1 2.71Å; R98-D139 IonicContact NE-OD2 2.82Å; R98-D139 PolarHBondContact NE-OD2 3.47Å; R98-D139 IonicContact NH2-OD1 3.84Å; R98-D139 PolarHBondContact NH2-OD1 3.28Å; R98-D139 IonicContact NH2-OD2 3.61Å
99	E	98.3	Very high	96.5	Very high	105 Å²	105	57.8 Å²	57.8	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-84.4	-7.6	-177.5	-69.6	178.5	-173.8	0	0	113.7	Q95 A96 I97 H312	Q95-E99 WeakPolarHBondContact CG-OE1 3.29Å; Q95-E99 PolarHBondContact NE2-OE1 2.77Å; Q95-E99 WeakPolarHBondContact O-CG 3.47Å; Q95-E99 PolarHBondContact O-N 3.48Å; A96-E99 PolarHBondContact O-N 3.03Å; I97-E99 PolarHBondContact O-N 3.39Å; E99-H312 IonicContact OE2-CE1 3.97Å; E99-H312 PolarHBondContact OE2-CE1 3Å; E99-H312 IonicContact OE2-NE2 2.85Å
100	T	98.4	Very high	96.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-114.4	-176.2	64.5	0	0	0	0	111.9	A96 I97 R98 G102 N106 M311 H312 W315	A96-T100 VanDerWaalsContact O-CB 3.31Å; A96-T100 WeakPolarHBondContact O-CB 3.35Å; A96-T100 VanDerWaalsContact O-CG2 3.26Å; A96-T100 WeakPolarHBondContact O-CG2 3.47Å; A96-T100 PolarHBondContact O-N 3.33Å; A96-T100 VanDerWaalsContact O-N 3.11Å; A96-T100 PolarHBondContact O-OG1 3.05Å; I97-T100 CarbonylContact O-C 3.01Å; I97-T100 PolarHBondContact O-N 3.2Å; I97-T100 VanDerWaalsContact O-N 3.13Å; R98-T100 VanDerWaalsContact C-N 3.34Å; T100-G102 VanDerWaalsContact C-N 3.28Å; T100-G102 PolarHBondContact O-N 2.04Å; T100-N106 PolarHBondContact O-ND2 2.6Å; T100-M311 HydrophobicContact CG2-CG 4.41Å; T100-M311 WeakPolarHBondContact OG1-CG 3.33Å; T100-M311 PolarHBondContact OG1-SD 3.03Å; T100-H312 WeakPolarHBondContact CG2-ND1 3.44Å; T100-W315 HydrophobicContact CG2-CB 3.63Å; T100-W315 HydrophobicContact CG2-CG 3.72Å
101	W	97.9	Very high	96.4	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.7	-170.9	60.9	-97.9	0	0	0	113.3	I82 I84 I97 T176 I180 F181 V182 M184 M311 W315	I82-W101 HydrophobicContact CD1-CZ3 4.47Å; I82-W101 HydrophobicContact CG2-CZ3 4.12Å; I84-W101 HydrophobicContact CD1-CH2 3.73Å; I84-W101 HydrophobicContact CD1-CZ3 4.14Å; I84-W101 HydrophobicContact CG1-CH2 4.12Å; I97-W101 HydrophobicContact CB-CZ2 4.18Å; I97-W101 HydrophobicContact CD1-CH2 4.15Å; I97-W101 HydrophobicContact CD1-CZ2 3.62Å; I97-W101 HydrophobicContact CG1-CH2 4.26Å; I97-W101 HydrophobicContact CG1-CZ2 3.49Å; I97-W101 VanDerWaalsContact CG1-CZ2 3.49Å; I97-W101 HydrophobicContact CG2-CD2 4.16Å; I97-W101 HydrophobicContact CG2-CE3 4.19Å; I97-W101 HydrophobicContact CG2-CH2 3.67Å; I97-W101 HydrophobicContact CG2-CZ2 3.63Å; I97-W101 HydrophobicContact CG2-CZ3 3.94Å; W101-T176 HydrophobicContact CH2-CG2 3.98Å; W101-I180 WeakPolarHBondContact CZ2-O 3.46Å; W101-I180 PolarHBondContact NE1-O 3.11Å; W101-F181 AromaticContact CD1-CD2 3.81Å; W101-V182 VanDerWaalsContact CB-O 3.29Å; W101-V182 WeakPolarHBondContact CB-O 3.48Å; W101-V182 HydrophobicContact CD2-CB 3.83Å; W101-V182 HydrophobicContact CD2-CG2 3.94Å; W101-V182 HydrophobicContact CE3-CB 3.73Å; W101-V182 HydrophobicContact CE3-CG2 3.75Å; W101-V182 HydrophobicContact CG-CB 4.24Å; W101-V182 HydrophobicContact CH2-CG2 3.89Å; W101-V182 HydrophobicContact CZ2-CG2 4.04Å; W101-V182 HydrophobicContact CZ3-CB 4.22Å; W101-V182 HydrophobicContact CZ3-CG2 3.74Å; W101-M184 HydrophobicContact CB-CG 4.03Å; W101-M184 HydrophobicContact CE3-SD 4.47Å; W101-M184 VanDerWaalsContact O-CG 3.24Å; W101-M184 WeakPolarHBondContact O-CG 3.47Å; W101-M311 PolarHBondContact NE1-SD 3.04Å; W101-W315 HydrophobicContact CB-CE3 4.06Å; W101-W315 HydrophobicContact CB-CZ3 3.86Å
102	G	98.1	Very high	96.3	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.031	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.7	179.8	0	0	0	0	0	115.1	I97 T100 E104 T114	I97-G102 VanDerWaalsContact O-CA 3.23Å; I97-G102 WeakPolarHBondContact O-CA 3.46Å; I97-G102 PolarHBondContact O-N 3.15Å; T100-G102 VanDerWaalsContact C-N 3.28Å; T100-G102 PolarHBondContact O-N 2.04Å; G102-E104 PolarHBondContact O-N 3.47Å; G102-T114 WeakPolarHBondContact O-CB 3.25Å; G102-T114 PolarHBondContact O-OG1 3.5Å
103	D	97.6	Very high	96.3	Very high	48 Å²	48	45.3 Å²	45.3	26%	0.257	24%	0.24	S	C	.	.			trans	-63.3	118.9	177.1	-179.1	1.7	0	0	0	111	R98 N105 N106	R98-D103 WeakPolarHBondContact O-CB 3.38Å; D103-N105 PolarHBondContact O-N 3.01Å; D103-N105 VanDerWaalsContact O-N 3.16Å; D103-N105 WeakPolarHBondContact OD1-CB 3.29Å; D103-N105 PolarHBondContact OD1-N 3.46Å; D103-N105 PolarHBondContact OD1-ND2 2.81Å; D103-N106 WeakPolarHBondContact CB-ND2 3.4Å; D103-N106 PolarHBondContact O-N 3.48Å
104	E	95.8	Very high	96.3	Very high	59 Å²	59	45 Å²	45	28%	0.276	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.9	-179.2	-62.4	-176.4	176.6	0	0	113.2	K72 G102 I112 A113 T114	K72-E104 WeakPolarHBondContact CE-OE1 3.46Å; K72-E104 IonicContact NZ-OE1 3.45Å; K72-E104 PolarHBondContact NZ-OE1 2.71Å; K72-E104 IonicContact NZ-OE2 2.74Å; G102-E104 PolarHBondContact O-N 3.47Å; E104-I112 WeakPolarHBondContact CG-O 3.38Å; E104-A113 WeakPolarHBondContact OE1-CA 3.37Å; E104-T114 PolarHBondContact OE1-N 3.41Å
105	N	94	Very high	96.3	Very high	128 Å²	128	44.9 Å²	44.9	68%	0.684	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.5	-175.7	-59.2	-65.2	0	0	0	114.3	D103 F107	D103-N105 PolarHBondContact O-N 3.01Å; D103-N105 VanDerWaalsContact O-N 3.16Å; D103-N105 WeakPolarHBondContact OD1-CB 3.29Å; D103-N105 PolarHBondContact OD1-N 3.46Å; D103-N105 PolarHBondContact OD1-ND2 2.81Å; N105-F107 VanDerWaalsContact C-N 3.25Å; N105-F107 PolarHBondContact O-N 2.71Å
106	N	90.6	Very high	96.3	Very high	68 Å²	68	42.9 Å²	42.9	36%	0.364	23%	0.227	S	C	.	.	S	Bend	trans	-67	-21.9	-174.4	-88.2	-25.6	0	0	0	114.4	T100 D103 W315	T100-N106 PolarHBondContact O-ND2 2.6Å; D103-N106 WeakPolarHBondContact CB-ND2 3.4Å; D103-N106 PolarHBondContact O-N 3.48Å; N106-W315 WeakPolarHBondContact ND2-CZ2 3.33Å
107	F	91.4	Very high	96.3	Very high	17 Å²	17	42.9 Å²	42.9	8%	0.075	23%	0.227	C	C	.	.	S	Bend	trans	-113.8	95.4	-175.2	-69.1	-91.5	0	0	0	112.1	N105 G109 I110 I112 M184 D185 I188 Y189	N105-F107 VanDerWaalsContact C-N 3.25Å; N105-F107 PolarHBondContact O-N 2.71Å; F107-G109 PolarHBondContact O-N 3.47Å; F107-I110 HydrophobicContact CB-CB 4.15Å; F107-I110 PolarHBondContact O-N 2.89Å; F107-I110 VanDerWaalsContact O-N 3.17Å; F107-I112 HydrophobicContact CB-CD1 4.05Å; F107-I112 HydrophobicContact CD2-CD1 3.6Å; F107-I112 HydrophobicContact CE2-CD1 4.44Å; F107-I112 HydrophobicContact CG-CD1 4.01Å; F107-M184 HydrophobicContact CE1-CB 4.39Å; F107-M184 HydrophobicContact CE2-CB 3.38Å; F107-M184 HydrophobicContact CE2-CE 4.47Å; F107-M184 HydrophobicContact CE2-CG 4.15Å; F107-M184 HydrophobicContact CZ-CB 3.27Å; F107-M184 HydrophobicContact CZ-CG 4.46Å; F107-D185 WeakPolarHBondContact CE1-OD1 3.37Å; F107-I188 HydrophobicContact CB-CD1 4.38Å; F107-I188 HydrophobicContact CD1-CD1 3.55Å; F107-I188 HydrophobicContact CD2-CD1 3.82Å; F107-I188 HydrophobicContact CE1-CD1 3.73Å; F107-I188 HydrophobicContact CE2-CD1 4Å; F107-I188 HydrophobicContact CG-CD1 3.62Å; F107-I188 HydrophobicContact CZ-CD1 3.98Å; F107-Y189 AromaticContact CD1-CE2 3.91Å; F107-Y189 HydrophobicContact CD1-CE2 3.91Å; F107-Y189 AromaticContact CE1-CE2 3.75Å; F107-Y189 HydrophobicContact CE1-CE2 3.75Å
108	K	88.6	Confident	96.3	Very high	199 Å²	199	42.9 Å²	42.9	87%	0.865	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	129	177.1	-67.3	-174	179.3	-178.3	0	111.2	I110	K108-I110 VanDerWaalsContact C-N 3.25Å; K108-I110 PolarHBondContact O-N 3.05Å
109	G	91.1	Very high	96.3	Very high	85 Å²	85	41.6 Å²	41.6	88%	0.876	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	-4.3	178.3	0	0	0	0	0	115.3	F107	F107-G109 PolarHBondContact O-N 3.47Å
110	I	95.3	Very high	96.2	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.097	21%	0.214	C	C	.	.			trans	-121.4	113.8	178	-57.6	172.6	0	0	0	108	F79 F107 K108 I112 I188 Y189 P194	F79-I110 HydrophobicContact CB-CG2 3.77Å; F79-I110 HydrophobicContact CD1-CG2 3.67Å; F79-I110 HydrophobicContact CG-CG2 3.94Å; F107-I110 HydrophobicContact CB-CB 4.15Å; F107-I110 PolarHBondContact O-N 2.89Å; F107-I110 VanDerWaalsContact O-N 3.17Å; K108-I110 VanDerWaalsContact C-N 3.25Å; K108-I110 PolarHBondContact O-N 3.05Å; I110-I112 HydrophobicContact CG2-CG1 4.37Å; I110-I188 HydrophobicContact CD1-CG2 3.45Å; I110-I188 VanDerWaalsContact CD1-CG2 3.45Å; I110-Y189 HydrophobicContact CD1-CE1 3.74Å; I110-P194 HydrophobicContact CD1-CB 4.33Å; I110-P194 HydrophobicContact CD1-CG 3.61Å; I110-P194 HydrophobicContact CG1-CG 4.34Å
111	K	96.4	Very high	96.2	Very high	125 Å²	125	42 Å²	42	54%	0.543	22%	0.224	S	C	.	.			trans	-80.7	126.9	179.5	-66.2	-66.3	-177.7	-176.7	0	110.5	P78 F79 L80	P78-K111 CarbonylContact C-O 3.55Å; F79-K111 WeakPolarHBondContact CB-O 3.49Å; F79-K111 PolarHBondContact N-O 3.33Å; L80-K111 PolarHBondContact N-O 3.09Å
112	I	97.7	Very high	96.1	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.051	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.9	178.2	-57.3	170.8	0	0	0	106.8	L80 I82 E104 F107 I110 M184 I188	L80-I112 HydrophobicContact CB-CG1 4.5Å; L80-I112 VanDerWaalsContact O-CA 3.32Å; L80-I112 WeakPolarHBondContact O-CA 3.48Å; I82-I112 HydrophobicContact CD1-CG2 3.8Å; I82-I112 HydrophobicContact CG1-CG2 4.08Å; E104-I112 WeakPolarHBondContact CG-O 3.38Å; F107-I112 HydrophobicContact CB-CD1 4.05Å; F107-I112 HydrophobicContact CD2-CD1 3.6Å; F107-I112 HydrophobicContact CE2-CD1 4.44Å; F107-I112 HydrophobicContact CG-CD1 4.01Å; I110-I112 HydrophobicContact CG2-CG1 4.37Å; I112-M184 HydrophobicContact CD1-CE 3.85Å; I112-I188 HydrophobicContact CD1-CD1 3.61Å
113	A	97.9	Very high	96.1	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.5	169.2	0	0	0	0	0	108.4	K72 P78 L80 V81 I82 E104	K72-A113 HydrophobicContact CG-CB 4.31Å; P78-A113 HydrophobicContact CB-CB 4.22Å; P78-A113 HydrophobicContact CG-CB 3.78Å; L80-A113 PolarHBondContact O-N 3.11Å; V81-A113 CarbonylContact C-O 3.42Å; V81-A113 WeakPolarHBondContact CA-O 3.28Å; I82-A113 PolarHBondContact N-O 2.89Å; E104-A113 WeakPolarHBondContact OE1-CA 3.37Å
114	T	98.6	Very high	96	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.9	179	-60.7	0	0	0	0	108.4	I84 G102 E104 F116	I84-T114 HydrophobicContact CD1-CG2 3.5Å; G102-T114 WeakPolarHBondContact O-CB 3.25Å; G102-T114 PolarHBondContact O-OG1 3.5Å; E104-T114 PolarHBondContact OE1-N 3.41Å; T114-F116 HydrophobicContact CG2-CZ 4.45Å
115	L	98.8	Very high	96.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.4	-175.8	-67.8	160.7	0	0	0	110.6	E69 K72 V81 I82 L83 I84 D139 I141 W162	E69-L115 HydrophobicContact CB-CD2 4.32Å; E69-L115 HydrophobicContact CG-CD2 4.43Å; K72-L115 HydrophobicContact CG-CD2 4.38Å; V81-L115 HydrophobicContact CG1-CD1 4.1Å; I82-L115 PolarHBondContact O-N 3.32Å; L83-L115 HydrophobicContact CD2-CB 4.28Å; L83-L115 HydrophobicContact CD2-CD1 4.25Å; I84-L115 PolarHBondContact N-O 3.04Å; L115-D139 CarbonylContact C-O 3.5Å; L115-D139 WeakPolarHBondContact CA-O 3.3Å; L115-I141 HydrophobicContact CB-CD1 4.16Å; L115-I141 HydrophobicContact CD1-CD1 3.93Å; L115-I141 HydrophobicContact CD2-CD1 4.07Å; L115-I141 HydrophobicContact CD2-CG1 4.37Å; L115-I141 HydrophobicContact CG-CD1 4.28Å; L115-W162 HydrophobicContact CD1-CD2 4.31Å; L115-W162 HydrophobicContact CD1-CE3 3.77Å; L115-W162 HydrophobicContact CD1-CH2 3.38Å; L115-W162 HydrophobicContact CD1-CZ2 3.89Å; L115-W162 HydrophobicContact CD1-CZ3 3.3Å
116	F	98.9	Very high	96.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.8	175.2	-59	-72.4	0	0	0	110.6	I84 T86 R94 I97 R98 T114 L118 D139 I140 I141	I84-F116 HydrophobicContact CB-CD1 3.76Å; I84-F116 HydrophobicContact CB-CE1 4.14Å; I84-F116 HydrophobicContact CD1-CD1 3.89Å; I84-F116 HydrophobicContact CD1-CE1 3.47Å; I84-F116 VanDerWaalsContact CD1-CE1 3.47Å; I84-F116 HydrophobicContact CD1-CZ 4.14Å; I84-F116 HydrophobicContact CG1-CD1 4.43Å; I84-F116 HydrophobicContact CG1-CE1 4.41Å; I84-F116 HydrophobicContact CG2-CD1 3.95Å; I84-F116 HydrophobicContact CG2-CE1 4.12Å; I84-F116 WeakPolarHBondContact O-CA 2.99Å; T86-F116 HydrophobicContact CG2-CD1 3.75Å; T86-F116 HydrophobicContact CG2-CE1 4.47Å; R94-F116 HydrophobicContact CB-CD1 4.27Å; R94-F116 HydrophobicContact CB-CD2 4.37Å; R94-F116 HydrophobicContact CB-CE1 3.97Å; R94-F116 HydrophobicContact CB-CE2 4.1Å; R94-F116 HydrophobicContact CB-CG 4.44Å; R94-F116 HydrophobicContact CB-CZ 3.88Å; R94-F116 HydrophobicContact CG-CB 4.41Å; R94-F116 HydrophobicContact CG-CD1 3.61Å; R94-F116 HydrophobicContact CG-CD2 4.18Å; R94-F116 HydrophobicContact CG-CE1 3.78Å; R94-F116 HydrophobicContact CG-CE2 4.34Å; R94-F116 HydrophobicContact CG-CG 3.8Å; R94-F116 HydrophobicContact CG-CZ 4.14Å; R94-F116 WeakPolarHBondContact O-CZ 3.45Å; I97-F116 HydrophobicContact CB-CE1 4.19Å; I97-F116 HydrophobicContact CB-CZ 4.13Å; I97-F116 HydrophobicContact CD1-CE1 4.07Å; I97-F116 HydrophobicContact CG2-CE1 4.17Å; I97-F116 HydrophobicContact CG2-CZ 4.09Å; R98-F116 HydrophobicContact CG-CE2 3.91Å; R98-F116 HydrophobicContact CG-CZ 4.08Å; T114-F116 HydrophobicContact CG2-CZ 4.45Å; F116-L118 HydrophobicContact CB-CD1 4.37Å; F116-D139 HydrophobicContact CD2-CB 4.44Å; F116-D139 WeakPolarHBondContact CE2-OD2 3.36Å; F116-D139 PolarHBondContact N-O 3.19Å; F116-I140 HydrophobicContact CB-CG1 4.39Å; F116-I141 PolarHBondContact O-N 3.49Å
117	L	98.9	Very high	96.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.6	-173.3	-57.7	-166.5	0	0	0	110.5	L83 I84 T86 I141 K155 M158	L83-L117 HydrophobicContact CB-CD1 3.93Å; L83-L117 HydrophobicContact CB-CG 4.41Å; L83-L117 HydrophobicContact CD2-CD2 4.29Å; I84-L117 PolarHBondContact O-N 2.95Å; T86-L117 PolarHBondContact N-O 3.08Å; L117-I141 HydrophobicContact CD2-CB 4.05Å; L117-I141 HydrophobicContact CD2-CD1 3.9Å; L117-I141 HydrophobicContact CD2-CG1 4.49Å; L117-K155 HydrophobicContact CB-CD 4.28Å; L117-K155 HydrophobicContact CB-CG 3.9Å; L117-K155 WeakPolarHBondContact O-CD 3.26Å; L117-M158 HydrophobicContact CB-CE 3.51Å; L117-M158 HydrophobicContact CD1-CE 4.14Å; L117-M158 HydrophobicContact CD2-CE 3.88Å; L117-M158 HydrophobicContact CG-CE 4.03Å
118	L	98.7	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152	175.9	-57.9	93.8	0	0	0	111	F116 V130 I140 I141 V142 E143	F116-L118 HydrophobicContact CB-CD1 4.37Å; L118-V130 HydrophobicContact CD2-CG1 4.45Å; L118-V130 HydrophobicContact CD2-CG2 4.16Å; L118-I140 HydrophobicContact CD1-CG2 3.63Å; L118-I141 PolarHBondContact N-O 3.27Å; L118-V142 HydrophobicContact CB-CG2 4.25Å; L118-V142 WeakPolarHBondContact O-CA 3.34Å; L118-E143 PolarHBondContact O-N 2.75Å
119	G	98.3	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-173	157.4	0	0	0	0	0	109.7	H88 F145 D147	H88-G119 PolarHBondContact CE1-O 3.39Å; H88-G119 PolarHBondContact NE2-O 2.99Å; G119-F145 CarbonylContact C-O 3.55Å; G119-F145 WeakPolarHBondContact CA-O 3.36Å; G119-D147 PolarHBondContact N-OD2 3.47Å
120	K	97.4	Very high	97.8	Very high	75 Å²	75	41.9 Å²	41.9	33%	0.326	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	143.1	170.4	178.3	173.8	179.5	176	0	112.1	L66 E143 D144 F145 I146 D147	L66-K120 HydrophobicContact CD1-CB 4.23Å; L66-K120 HydrophobicContact CD1-CD 4.04Å; L66-K120 HydrophobicContact CD1-CG 4.41Å; K120-E143 PolarHBondContact N-O 3.31Å; K120-D144 WeakPolarHBondContact CD-OD1 3.22Å; K120-D144 IonicContact NZ-OD1 3.07Å; K120-D144 PolarHBondContact NZ-OD1 3.17Å; K120-D144 VanDerWaalsContact NZ-OD1 3.07Å; K120-F145 PolarHBondContact N-O 3.41Å; K120-I146 WeakPolarHBondContact O-CA 3.34Å; K120-D147 PolarHBondContact O-N 3.41Å
121	N	97.6	Very high	98	Very high	39 Å²	39	45.6 Å²	45.6	21%	0.209	25%	0.246	C	C	.	.			trans	-89.5	151.7	169.2	-147.7	-71.5	0	0	0	112.1	H88 D123 L126 N127	H88-N121 PolarHBondContact CE1-N 2.86Å; H88-N121 VanDerWaalsContact CE1-N 3.33Å; H88-N121 PolarHBondContact ND1-ND2 3.46Å; H88-N121 PolarHBondContact NE2-N 3.46Å; N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 WeakPolarHBondContact OD1-CB 3.39Å; N121-D123 PolarHBondContact OD1-N 2.94Å; N121-L126 HydrophobicContact CB-CB 4.23Å; N121-N127 WeakPolarHBondContact CA-OD1 3.01Å; N121-N127 VanDerWaalsContact CB-OD1 3.3Å; N121-N127 WeakPolarHBondContact CB-OD1 3.2Å; N121-N127 PolarHBondContact N-OD1 3Å; N121-N127 PolarHBondContact O-ND2 2.78Å
122	A	96.3	Very high	98.1	Very high	87 Å²	87	44.5 Å²	44.5	72%	0.719	24%	0.243	S	C	*	.	S	Bend	trans	-69.8	-27.6	168.2	0	0	0	0	0	112.1	P124	A122-P124 WeakPolarHBondContact O-CD 3.45Å
123	D	97.3	Very high	98.1	Very high	69 Å²	69	44.4 Å²	44.4	37%	0.369	24%	0.242	S	C	.	.			trans	-82.2	113.6	176.7	-172	-21.3	0	0	0	110.8	N121 V125 L126 N127	N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 WeakPolarHBondContact OD1-CB 3.39Å; N121-D123 PolarHBondContact OD1-N 2.94Å; D123-V125 PolarHBondContact O-N 3.37Å; D123-V125 WeakPolarHBondContact OD1-CB 3.35Å; D123-V125 PolarHBondContact OD1-N 3.07Å; D123-L126 HydrophobicContact CB-CB 4.19Å; D123-L126 HydrophobicContact CB-CD1 3.97Å; D123-L126 HydrophobicContact CB-CG 4Å; D123-L126 PolarHBondContact O-N 2.9Å; D123-N127 PolarHBondContact O-N 2.91Å; D123-N127 PolarHBondContact O-ND2 3.34Å
124	P	96.7	Very high	98.1	Very high	93 Å²	93	44.6 Å²	44.6	60%	0.604	24%	0.243	S	C	*	.	H	α-helix	trans	-64.6	-28	-179.7	27.6	-34.6	0	0	0	113	A122 N127 Q128	A122-P124 WeakPolarHBondContact O-CD 3.45Å; P124-N127 PolarHBondContact O-N 2.8Å; P124-Q128 PolarHBondContact O-N 3.03Å
125	V	97.9	Very high	98.1	Very high	84 Å²	84	51.2 Å²	51.2	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-43	178.2	-179.4	0	0	0	0	109.8	D123 N127 Q128 M129	D123-V125 PolarHBondContact O-N 3.37Å; D123-V125 WeakPolarHBondContact OD1-CB 3.35Å; D123-V125 PolarHBondContact OD1-N 3.07Å; V125-N127 VanDerWaalsContact C-N 3.33Å; V125-N127 PolarHBondContact O-N 2.97Å; V125-Q128 PolarHBondContact O-N 2.88Å; V125-M129 HydrophobicContact CG1-SD 4.42Å; V125-M129 WeakPolarHBondContact O-CG 3.1Å; V125-M129 PolarHBondContact O-N 3.16Å
126	L	97.9	Very high	98.1	Very high	26 Å²	26	57.1 Å²	57.1	14%	0.136	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-37.5	176.7	-68.3	-178	0	0	0	112.3	H88 K89 N121 D123 M129 V130	H88-L126 HydrophobicContact CB-CB 3.97Å; H88-L126 HydrophobicContact CB-CD1 4.36Å; K89-L126 HydrophobicContact CG-CD1 4.26Å; K89-L126 HydrophobicContact CG-CD2 4.47Å; N121-L126 HydrophobicContact CB-CB 4.23Å; D123-L126 HydrophobicContact CB-CB 4.19Å; D123-L126 HydrophobicContact CB-CD1 3.97Å; D123-L126 HydrophobicContact CB-CG 4Å; D123-L126 PolarHBondContact O-N 2.9Å; L126-M129 HydrophobicContact CD2-SD 4.36Å; L126-M129 PolarHBondContact O-N 2.04Å; L126-V130 PolarHBondContact O-N 3.34Å
127	N	98.2	Very high	98.1	Very high	27 Å²	27	60.4 Å²	60.4	14%	0.144	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-46.6	174.7	-64.8	-41.4	0	0	0	111	H88 N121 D123 P124 V125 M129 V130 E131	H88-N127 PolarHBondContact NE2-OD1 2.84Å; N121-N127 WeakPolarHBondContact CA-OD1 3.01Å; N121-N127 VanDerWaalsContact CB-OD1 3.3Å; N121-N127 WeakPolarHBondContact CB-OD1 3.2Å; N121-N127 PolarHBondContact N-OD1 3Å; N121-N127 PolarHBondContact O-ND2 2.78Å; D123-N127 PolarHBondContact O-N 2.91Å; D123-N127 PolarHBondContact O-ND2 3.34Å; P124-N127 PolarHBondContact O-N 2.8Å; V125-N127 VanDerWaalsContact C-N 3.33Å; V125-N127 PolarHBondContact O-N 2.97Å; N127-M129 VanDerWaalsContact C-N 3.32Å; N127-M129 PolarHBondContact O-N 2.98Å; N127-V130 PolarHBondContact O-N 3.29Å; N127-V130 VanDerWaalsContact O-N 3.16Å; N127-E131 WeakPolarHBondContact O-CG 3.33Å; N127-E131 PolarHBondContact O-N 3.35Å
128	Q	98.3	Very high	98	Very high	107 Å²	107	65.1 Å²	65.1	50%	0.5	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-38.6	178.9	-174	179.4	-2.1	0	0	112.5	P124 V125 V130 E131 Q132	P124-Q128 PolarHBondContact O-N 3.03Å; V125-Q128 PolarHBondContact O-N 2.88Å; Q128-V130 VanDerWaalsContact C-N 3.34Å; Q128-V130 PolarHBondContact O-N 2.82Å; Q128-E131 PolarHBondContact O-N 3.23Å; Q128-Q132 WeakPolarHBondContact O-CG 3.47Å; Q128-Q132 PolarHBondContact O-N 2.94Å
129	M	98.4	Very high	98	Very high	110 Å²	110	65.7 Å²	65.7	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-40.9	175.5	-70.7	177.3	74.1	0	0	112	V125 L126 N127 Q132 E133	V125-M129 HydrophobicContact CG1-SD 4.42Å; V125-M129 WeakPolarHBondContact O-CG 3.1Å; V125-M129 PolarHBondContact O-N 3.16Å; L126-M129 HydrophobicContact CD2-SD 4.36Å; L126-M129 PolarHBondContact O-N 2.04Å; N127-M129 VanDerWaalsContact C-N 3.32Å; N127-M129 PolarHBondContact O-N 2.98Å; M129-Q132 PolarHBondContact O-N 3.21Å; M129-E133 PolarHBondContact O-N 3.49Å
130	V	98.6	Very high	98	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-69.3	-37.1	176.6	170.3	0	0	0	0	111.6	I67 H88 L118 L126 N127 Q128 E133 S134 I140 V142	I67-V130 HydrophobicContact CD1-CG1 4.16Å; H88-V130 HydrophobicContact CB-CG2 4.15Å; L118-V130 HydrophobicContact CD2-CG1 4.45Å; L118-V130 HydrophobicContact CD2-CG2 4.16Å; L126-V130 PolarHBondContact O-N 3.34Å; N127-V130 PolarHBondContact O-N 3.29Å; N127-V130 VanDerWaalsContact O-N 3.16Å; Q128-V130 VanDerWaalsContact C-N 3.34Å; Q128-V130 PolarHBondContact O-N 2.82Å; V130-E133 PolarHBondContact O-N 3.23Å; V130-S134 WeakPolarHBondContact O-CB 3.29Å; V130-S134 PolarHBondContact O-N 3.45Å; V130-I140 HydrophobicContact CG1-CD1 4.13Å; V130-I140 HydrophobicContact CG1-CG2 3.88Å; V130-V142 HydrophobicContact CG1-CG2 4.04Å
131	E	98.4	Very high	98.1	Very high	97 Å²	97	62.1 Å²	62.1	45%	0.453	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-45.7	172.9	-73.7	172.6	-167.9	0	0	111.8	I67 N127 Q128 S134 Q135	I67-E131 HydrophobicContact CD1-CB 4.37Å; I67-E131 HydrophobicContact CD1-CG 3.76Å; I67-E131 HydrophobicContact CG1-CG 4.41Å; N127-E131 WeakPolarHBondContact O-CG 3.33Å; N127-E131 PolarHBondContact O-N 3.35Å; Q128-E131 PolarHBondContact O-N 3.23Å; E131-S134 PolarHBondContact O-N 2.88Å; E131-Q135 WeakPolarHBondContact O-CG 3.48Å; E131-Q135 PolarHBondContact O-N 2.99Å
132	Q	98.5	Very high	98.1	Very high	102 Å²	102	60.6 Å²	60.6	48%	0.477	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-42.9	176.3	-72	174.4	-12.8	0	0	112.1	Q128 M129 S134 Q135	Q128-Q132 WeakPolarHBondContact O-CG 3.47Å; Q128-Q132 PolarHBondContact O-N 2.94Å; M129-Q132 PolarHBondContact O-N 3.21Å; Q132-S134 VanDerWaalsContact C-N 3.33Å; Q132-S134 PolarHBondContact O-N 2.93Å; Q132-Q135 PolarHBondContact O-N 3.43Å
133	E	98.6	Very high	98.2	Very high	7 Å²	7	56.4 Å²	56.4	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-44.9	174	-177.2	-176.6	177.6	0	0	111.3	F91 R94 R98 M129 V130 Q135 I136 F137 I140	F91-E133 HydrophobicContact CD2-CG 4.2Å; F91-E133 WeakPolarHBondContact CD2-OE2 3.29Å; F91-E133 HydrophobicContact CE2-CB 4.46Å; F91-E133 HydrophobicContact CE2-CG 3.89Å; R94-E133 IonicContact CZ-OE1 3.73Å; R94-E133 IonicContact CZ-OE2 3.81Å; R94-E133 VanDerWaalsContact CZ-OE2 3.23Å; R94-E133 VanDerWaalsContact NE-CD 3.3Å; R94-E133 IonicContact NE-OE1 3.57Å; R94-E133 PolarHBondContact NE-OE1 3.37Å; R94-E133 IonicContact NE-OE2 3.28Å; R94-E133 PolarHBondContact NE-OE2 2.86Å; R94-E133 IonicContact NH2-OE1 3.04Å; R94-E133 IonicContact NH2-OE2 3.09Å; R94-E133 PolarHBondContact NH2-OE2 2.73Å; R98-E133 IonicContact CZ-OE1 2.79Å; R98-E133 IonicContact NH1-OE1 2.66Å; R98-E133 PolarHBondContact NH1-OE1 2.79Å; R98-E133 IonicContact NH2-OE1 3.23Å; R98-E133 PolarHBondContact NH2-OE1 3.03Å; M129-E133 PolarHBondContact O-N 3.49Å; V130-E133 PolarHBondContact O-N 3.23Å; E133-Q135 VanDerWaalsContact C-N 3.29Å; E133-Q135 PolarHBondContact O-N 3.39Å; E133-I136 PolarHBondContact O-N 3.04Å; E133-F137 HydrophobicContact CG-CD2 3.63Å; E133-F137 HydrophobicContact CG-CE2 4.01Å; E133-F137 WeakPolarHBondContact O-CD2 3.49Å; E133-F137 PolarHBondContact O-N 3.33Å; E133-I140 HydrophobicContact CB-CD1 4.09Å; E133-I140 HydrophobicContact CG-CD1 3.72Å
134	S	98.6	Very high	98.3	Very high	8 Å²	8	56.1 Å²	56.1	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-34.4	-180	-168.4	0	0	0	0	113	I67 V130 E131 Q132 I136 H138	I67-S134 WeakPolarHBondContact CG2-OG 3.38Å; V130-S134 WeakPolarHBondContact O-CB 3.29Å; V130-S134 PolarHBondContact O-N 3.45Å; E131-S134 PolarHBondContact O-N 2.88Å; Q132-S134 VanDerWaalsContact C-N 3.33Å; Q132-S134 PolarHBondContact O-N 2.93Å; S134-I136 PolarHBondContact O-N 3.38Å; S134-H138 PolarHBondContact O-N 2.67Å; S134-H138 PolarHBondContact O-ND1 2.71Å
135	Q	98.3	Very high	98.3	Very high	142 Å²	142	52 Å²	52	66%	0.664	26%	0.257	S	S	*	.	H	α-helix	trans	-65.9	-18.9	175.9	-72	173.1	8.3	0	0	113.1	E131 Q132 E133 H138	E131-Q135 WeakPolarHBondContact O-CG 3.48Å; E131-Q135 PolarHBondContact O-N 2.99Å; Q132-Q135 PolarHBondContact O-N 3.43Å; E133-Q135 VanDerWaalsContact C-N 3.29Å; E133-Q135 PolarHBondContact O-N 3.39Å; Q135-H138 PolarHBondContact O-NE2 2.88Å
136	I	98.1	Very high	98.3	Very high	123 Å²	123	52.5 Å²	52.5	63%	0.631	26%	0.256	S	S	*	.	H	α-helix	trans	-96	-48.8	179.9	-62.1	169.1	0	0	0	110.4	E133 S134	E133-I136 PolarHBondContact O-N 3.04Å; S134-I136 PolarHBondContact O-N 3.38Å
137	F	98.3	Very high	98.3	Very high	69 Å²	69	52.5 Å²	52.5	30%	0.303	26%	0.256	S	S	.	.	H	α-helix	trans	-98.7	-21.1	-167.6	-63	-73.9	0	0	0	114.7	E133 D139	E133-F137 HydrophobicContact CG-CD2 3.63Å; E133-F137 HydrophobicContact CG-CE2 4.01Å; E133-F137 WeakPolarHBondContact O-CD2 3.49Å; E133-F137 PolarHBondContact O-N 3.33Å; F137-D139 VanDerWaalsContact C-N 3.27Å; F137-D139 WeakPolarHBondContact CB-OD1 3.47Å; F137-D139 PolarHBondContact O-N 2.77Å
138	H	97.9	Very high	98.1	Very high	99 Å²	99	53.1 Å²	53.1	46%	0.458	26%	0.262	S	S	.	.			trans	49.9	45.9	179.4	-64	-67.1	0	0	0	113.8	E69 K72 S134 Q135	E69-H138 VanDerWaalsContact OE1-CA 3.24Å; E69-H138 WeakPolarHBondContact OE1-CA 3.35Å; E69-H138 IonicContact OE1-ND1 2.77Å; K72-H138 PolarHBondContact NZ-O 3.05Å; K72-H138 VanDerWaalsContact NZ-O 3.16Å; S134-H138 PolarHBondContact O-N 2.67Å; S134-H138 PolarHBondContact O-ND1 2.71Å; Q135-H138 PolarHBondContact O-NE2 2.88Å
139	D	98.4	Very high	97.9	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.064	26%	0.259	C	S	.	.			trans	-140.5	18.3	-176.5	64.8	7.3	0	0	0	113.5	R98 L115 F116 F137	R98-D139 IonicContact CZ-OD1 3.74Å; R98-D139 IonicContact CZ-OD2 2.81Å; R98-D139 IonicContact NE-OD1 2.71Å; R98-D139 IonicContact NE-OD2 2.82Å; R98-D139 PolarHBondContact NE-OD2 3.47Å; R98-D139 IonicContact NH2-OD1 3.84Å; R98-D139 PolarHBondContact NH2-OD1 3.28Å; R98-D139 IonicContact NH2-OD2 3.61Å; L115-D139 CarbonylContact C-O 3.5Å; L115-D139 WeakPolarHBondContact CA-O 3.3Å; F116-D139 HydrophobicContact CD2-CB 4.44Å; F116-D139 WeakPolarHBondContact CE2-OD2 3.36Å; F116-D139 PolarHBondContact N-O 3.19Å; F137-D139 VanDerWaalsContact C-N 3.27Å; F137-D139 WeakPolarHBondContact CB-OD1 3.47Å; F137-D139 PolarHBondContact O-N 2.77Å
140	I	98.9	Very high	97.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.1	-177.5	-62.8	-175.8	0	0	0	110.5	I67 F116 L118 V130 E133 V142	I67-I140 WeakPolarHBondContact CG2-O 3.23Å; F116-I140 HydrophobicContact CB-CG1 4.39Å; L118-I140 HydrophobicContact CD1-CG2 3.63Å; V130-I140 HydrophobicContact CG1-CD1 4.13Å; V130-I140 HydrophobicContact CG1-CG2 3.88Å; E133-I140 HydrophobicContact CB-CD1 4.09Å; E133-I140 HydrophobicContact CG-CD1 3.72Å; I140-V142 HydrophobicContact CG2-CG2 3.8Å
141	I	98.8	Very high	97.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.9	170	-60.9	162.4	0	0	0	108.3	F65 L115 F116 L117 L118 M158 W162	F65-I141 HydrophobicContact CD1-CG2 3.71Å; F65-I141 HydrophobicContact CE1-CG2 3.8Å; L115-I141 HydrophobicContact CB-CD1 4.16Å; L115-I141 HydrophobicContact CD1-CD1 3.93Å; L115-I141 HydrophobicContact CD2-CD1 4.07Å; L115-I141 HydrophobicContact CD2-CG1 4.37Å; L115-I141 HydrophobicContact CG-CD1 4.28Å; F116-I141 PolarHBondContact O-N 3.49Å; L117-I141 HydrophobicContact CD2-CB 4.05Å; L117-I141 HydrophobicContact CD2-CD1 3.9Å; L117-I141 HydrophobicContact CD2-CG1 4.49Å; L118-I141 PolarHBondContact N-O 3.27Å; I141-M158 HydrophobicContact CG2-CE 4.25Å; I141-M158 HydrophobicContact CG2-CG 4.42Å; I141-M158 HydrophobicContact CG2-SD 4.01Å; I141-W162 HydrophobicContact CD1-CB 4.31Å; I141-W162 VanDerWaalsContact CD1-CD1 3.46Å; I141-W162 HydrophobicContact CD1-CD2 3.58Å; I141-W162 HydrophobicContact CD1-CE3 4.29Å; I141-W162 HydrophobicContact CD1-CG 3.53Å; I141-W162 HydrophobicContact CD1-CZ2 4.33Å
142	V	98.8	Very high	97.6	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.4	175.6	-174	0	0	0	0	109.2	F65 L66 I67 L118 V130 I140	F65-V142 CarbonylContact C-O 3.49Å; F65-V142 WeakPolarHBondContact CA-O 3.24Å; L66-V142 HydrophobicContact CB-CB 4.34Å; L66-V142 HydrophobicContact CB-CG1 4.22Å; L66-V142 HydrophobicContact CD1-CG1 4.21Å; L66-V142 PolarHBondContact N-O 3.04Å; I67-V142 HydrophobicContact CB-CB 3.92Å; I67-V142 HydrophobicContact CB-CG2 3.88Å; I67-V142 HydrophobicContact CD1-CB 4.35Å; I67-V142 HydrophobicContact CD1-CG2 3.68Å; I67-V142 HydrophobicContact CG1-CB 4.04Å; I67-V142 HydrophobicContact CG1-CG2 3.9Å; I67-V142 PolarHBondContact N-O 2.83Å; I67-V142 PolarHBondContact O-N 3.19Å; L118-V142 HydrophobicContact CB-CG2 4.25Å; L118-V142 WeakPolarHBondContact O-CA 3.34Å; V130-V142 HydrophobicContact CG1-CG2 4.04Å; I140-V142 HydrophobicContact CG2-CG2 3.8Å
143	E	98.3	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.3	174.2	-165.6	-174.8	-141.9	0	0	110.4	H61 F63 D64 F65 L118 K120 F145 M158 R161	H61-E143 IonicContact CD2-OE1 2.74Å; H61-E143 PolarHBondContact CD2-OE1 2.83Å; H61-E143 IonicContact CD2-OE2 3.98Å; H61-E143 IonicContact CE1-OE2 3.29Å; H61-E143 VanDerWaalsContact NE2-CD 3.31Å; H61-E143 IonicContact NE2-OE1 3.21Å; H61-E143 PolarHBondContact NE2-OE1 3.35Å; H61-E143 VanDerWaalsContact NE2-OE1 3.15Å; H61-E143 IonicContact NE2-OE2 2.73Å; H61-E143 PolarHBondContact NE2-OE2 3.49Å; F63-E143 HydrophobicContact CB-CG 3.44Å; F63-E143 VanDerWaalsContact CB-CG 3.44Å; D64-E143 VanDerWaalsContact O-CA 3.31Å; D64-E143 WeakPolarHBondContact O-CA 3.08Å; D64-E143 VanDerWaalsContact O-CG 3.31Å; D64-E143 WeakPolarHBondContact O-CG 3.48Å; F65-E143 HydrophobicContact CD1-CB 4.31Å; F65-E143 HydrophobicContact CD1-CG 4.4Å; L118-E143 PolarHBondContact O-N 2.75Å; K120-E143 PolarHBondContact N-O 3.31Å; E143-F145 HydrophobicContact CB-CD1 4.07Å; E143-F145 HydrophobicContact CB-CE1 3.91Å; E143-F145 HydrophobicContact CG-CD1 4.31Å; E143-F145 HydrophobicContact CG-CE1 4.48Å; E143-F145 PolarHBondContact O-N 3.43Å; E143-F145 WeakPolarHBondContact OE2-CE1 3.49Å; E143-M158 HydrophobicContact CB-CG 3.8Å; E143-M158 HydrophobicContact CB-SD 3.25Å; E143-M158 WeakPolarHBondContact CB-SD 3.17Å; E143-M158 HydrophobicContact CG-CG 4.32Å; E143-M158 HydrophobicContact CG-SD 4.36Å; E143-M158 VanDerWaalsContact OE2-CB 3.23Å; E143-M158 WeakPolarHBondContact OE2-CB 3.21Å; E143-M158 VanDerWaalsContact OE2-CG 3.28Å; E143-M158 WeakPolarHBondContact OE2-CG 3.03Å; E143-R161 IonicContact OE1-CZ 2.93Å; E143-R161 IonicContact OE1-NH1 3.51Å; E143-R161 PolarHBondContact OE1-NH1 2.77Å
144	D	97.8	Very high	97.6	Very high	63 Å²	63	48.7 Å²	48.7	34%	0.337	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	53.4	-169.8	-165.1	27.4	0	0	0	114.5	F63 D64 L66 K120	F63-D144 WeakPolarHBondContact CD1-O 3.03Å; D64-D144 PolarHBondContact O-N 2.96Å; L66-D144 HydrophobicContact CD1-CB 3.96Å; L66-D144 HydrophobicContact CD2-CB 3.98Å; L66-D144 HydrophobicContact CG-CB 3.94Å; K120-D144 WeakPolarHBondContact CD-OD1 3.22Å; K120-D144 IonicContact NZ-OD1 3.07Å; K120-D144 PolarHBondContact NZ-OD1 3.17Å; K120-D144 VanDerWaalsContact NZ-OD1 3.07Å
145	F	97.6	Very high	97.6	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.8	165.9	66.3	-97.7	0	0	0	110.1	F63 G119 K120 E143 D147 N151 L154 K155 M158	F63-F145 HydrophobicContact CD1-CB 3.99Å; F63-F145 HydrophobicContact CD2-CB 4.25Å; F63-F145 HydrophobicContact CD2-CD1 4.27Å; F63-F145 HydrophobicContact CE1-CB 3.77Å; F63-F145 HydrophobicContact CE2-CB 4.08Å; F63-F145 HydrophobicContact CG-CB 4.23Å; F63-F145 HydrophobicContact CG-CD1 4.49Å; F63-F145 HydrophobicContact CZ-CB 3.83Å; G119-F145 CarbonylContact C-O 3.55Å; G119-F145 WeakPolarHBondContact CA-O 3.36Å; K120-F145 PolarHBondContact N-O 3.41Å; E143-F145 HydrophobicContact CB-CD1 4.07Å; E143-F145 HydrophobicContact CB-CE1 3.91Å; E143-F145 HydrophobicContact CG-CD1 4.31Å; E143-F145 HydrophobicContact CG-CE1 4.48Å; E143-F145 PolarHBondContact O-N 3.43Å; E143-F145 WeakPolarHBondContact OE2-CE1 3.49Å; F145-D147 PolarHBondContact O-N 3.14Å; F145-N151 HydrophobicContact CD2-CB 4.14Å; F145-N151 HydrophobicContact CE2-CB 4.35Å; F145-L154 HydrophobicContact CB-CD1 4.2Å; F145-L154 HydrophobicContact CD1-CB 4.21Å; F145-L154 HydrophobicContact CD2-CB 4.17Å; F145-L154 HydrophobicContact CD2-CD1 4.34Å; F145-L154 HydrophobicContact CE1-CB 4.22Å; F145-L154 HydrophobicContact CE2-CB 4.21Å; F145-L154 HydrophobicContact CG-CB 4.21Å; F145-L154 HydrophobicContact CG-CD1 4.2Å; F145-L154 HydrophobicContact CZ-CB 4.26Å; F145-K155 HydrophobicContact CE2-CB 4.2Å; F145-K155 HydrophobicContact CZ-CB 3.73Å; F145-K155 HydrophobicContact CZ-CG 4.36Å; F145-M158 HydrophobicContact CE1-CB 4.32Å; F145-M158 HydrophobicContact CE1-SD 4.01Å; F145-M158 HydrophobicContact CZ-SD 4.46Å
146	I	97.4	Very high	97.6	Very high	94 Å²	94	41.9 Å²	41.9	48%	0.482	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	122.5	179.9	-62.1	-60.5	0	0	0	110.8	K120 S148 N151	K120-I146 WeakPolarHBondContact O-CA 3.34Å; I146-S148 PolarHBondContact O-N 2.73Å; I146-N151 PolarHBondContact O-ND2 2.94Å
147	D	97.2	Very high	97.6	Very high	26 Å²	26	36.2 Å²	36.2	14%	0.139	18%	0.178	C	C	.	.			trans	-71.2	114.4	177.2	-157.3	-23.5	0	0	0	110.9	G119 K120 F145 K155	G119-D147 PolarHBondContact N-OD2 3.47Å; K120-D147 PolarHBondContact O-N 3.41Å; F145-D147 PolarHBondContact O-N 3.14Å; D147-K155 VanDerWaalsContact OD1-CE 3.31Å; D147-K155 WeakPolarHBondContact OD1-CE 3.4Å; D147-K155 IonicContact OD1-NZ 3.5Å; D147-K155 PolarHBondContact OD1-NZ 2.77Å; D147-K155 WeakPolarHBondContact OD2-CE 3.38Å; D147-K155 IonicContact OD2-NZ 3.29Å; D147-K155 PolarHBondContact OD2-NZ 2.98Å
148	S	96.1	Very high	97.6	Very high	41 Å²	41	33 Å²	33	29%	0.287	16%	0.164	S	C	.	.			trans	-155.1	161.6	176.7	70.8	0	0	0	0	110.4	I146 H150 N151 L152	I146-S148 PolarHBondContact O-N 2.73Å; S148-H150 PolarHBondContact O-N 3.28Å; S148-N151 CarbonylContact O-C 3.48Å; S148-N151 PolarHBondContact O-N 3.18Å; S148-N151 PolarHBondContact OG-N 2.93Å; S148-N151 PolarHBondContact OG-ND2 2.92Å; S148-L152 PolarHBondContact O-N 2.8Å
149	Y	93.1	Very high	97.6	Very high	108 Å²	108	28.2 Å²	28.2	42%	0.424	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-56.2	-38.3	175.5	-172.8	-99.7	0	0	0	112.2	N151 L152 W220	Y149-N151 PolarHBondContact O-N 3.44Å; Y149-L152 HydrophobicContact CD2-CD1 3.45Å; Y149-L152 VanDerWaalsContact CD2-CD1 3.45Å; Y149-L152 HydrophobicContact CD2-CG 4.41Å; Y149-L152 HydrophobicContact CE2-CD1 3.51Å; Y149-L152 HydrophobicContact CG-CD1 4.16Å; Y149-L152 WeakPolarHBondContact O-CB 3.23Å; Y149-L152 VanDerWaalsContact O-CG 3.28Å; Y149-L152 WeakPolarHBondContact O-CG 3.38Å; Y149-L152 PolarHBondContact O-N 3.08Å; Y149-W220 PolarHBondContact OH-NE1 3.4Å
150	H	94.6	Very high	97.6	Very high	119 Å²	119	27.7 Å²	27.7	55%	0.551	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-68.3	-20.8	177.7	-73	-70.7	0	0	0	113.8	S148 H262	S148-H150 PolarHBondContact O-N 3.28Å; H150-H262 HydrophobicContact CB-CB 4.38Å; H150-H262 AromaticContact ND1-CD2 3.66Å; H150-H262 AromaticContact ND1-CG 3.85Å; H150-H262 VanDerWaalsContact O-CB 3.3Å; H150-H262 WeakPolarHBondContact O-CB 3.45Å
151	N	97.3	Very high	97.6	Very high	47 Å²	47	30.2 Å²	30.2	25%	0.251	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-99.8	12.3	178.3	-71.3	-22.4	0	0	0	113.2	F145 I146 S148 Y149 T153 L154 K155	F145-N151 HydrophobicContact CD2-CB 4.14Å; F145-N151 HydrophobicContact CE2-CB 4.35Å; I146-N151 PolarHBondContact O-ND2 2.94Å; S148-N151 CarbonylContact O-C 3.48Å; S148-N151 PolarHBondContact O-N 3.18Å; S148-N151 PolarHBondContact OG-N 2.93Å; S148-N151 PolarHBondContact OG-ND2 2.92Å; Y149-N151 PolarHBondContact O-N 3.44Å; N151-T153 PolarHBondContact O-N 3.1Å; N151-L154 HydrophobicContact CB-CD1 4.25Å; N151-L154 WeakPolarHBondContact O-CB 3.32Å; N151-L154 PolarHBondContact O-N 3.44Å; N151-K155 PolarHBondContact O-N 3.32Å; N151-K155 VanDerWaalsContact O-N 3.1Å
152	L	97.3	Very high	97.6	Very high	35 Å²	35	30.2 Å²	30.2	18%	0.183	15%	0.148	C	C	.	.	H	α-helix	trans	-56.3	-33.4	175.9	-78.3	176	0	0	0	113	S148 Y149 L154 K155 T156 E264	S148-L152 PolarHBondContact O-N 2.8Å; Y149-L152 HydrophobicContact CD2-CD1 3.45Å; Y149-L152 VanDerWaalsContact CD2-CD1 3.45Å; Y149-L152 HydrophobicContact CD2-CG 4.41Å; Y149-L152 HydrophobicContact CE2-CD1 3.51Å; Y149-L152 HydrophobicContact CG-CD1 4.16Å; Y149-L152 WeakPolarHBondContact O-CB 3.23Å; Y149-L152 VanDerWaalsContact O-CG 3.28Å; Y149-L152 WeakPolarHBondContact O-CG 3.38Å; Y149-L152 PolarHBondContact O-N 3.08Å; L152-L154 PolarHBondContact O-N 2.97Å; L152-K155 HydrophobicContact CD2-CD 4.32Å; L152-K155 WeakPolarHBondContact O-CB 3.4Å; L152-K155 PolarHBondContact O-N 3.46Å; L152-T156 PolarHBondContact O-N 3.12Å; L152-T156 PolarHBondContact O-OG1 3.38Å; L152-E264 HydrophobicContact CB-CB 4.07Å
153	T	98.1	Very high	97.6	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-43.2	174.6	-54.3	0	0	0	0	111.7	N151 K155 T156 L157 L260 L261 H262 E264 Y267	N151-T153 PolarHBondContact O-N 3.1Å; T153-K155 VanDerWaalsContact C-N 3.34Å; T153-K155 PolarHBondContact O-N 3.09Å; T153-T156 PolarHBondContact O-N 2.8Å; T153-L157 HydrophobicContact CG2-CD1 4.3Å; T153-L157 HydrophobicContact CG2-CG 4.46Å; T153-L157 WeakPolarHBondContact O-CB 3.39Å; T153-L157 VanDerWaalsContact O-CG 3.24Å; T153-L157 WeakPolarHBondContact O-CG 3.42Å; T153-L157 PolarHBondContact O-N 3.33Å; T153-L260 HydrophobicContact CG2-CD1 3.51Å; T153-L260 HydrophobicContact CG2-CG 4.45Å; T153-L261 VanDerWaalsContact CB-O 3.27Å; T153-L261 WeakPolarHBondContact CB-O 3.32Å; T153-L261 WeakPolarHBondContact CG2-O 3.46Å; T153-L261 PolarHBondContact OG1-O 3.34Å; T153-H262 PolarHBondContact OG1-O 2.95Å; T153-E264 VanDerWaalsContact OG1-CA 3.29Å; T153-E264 WeakPolarHBondContact OG1-CA 3.39Å; T153-E264 PolarHBondContact OG1-N 3.46Å; T153-Y267 HydrophobicContact CG2-CD1 3.19Å; T153-Y267 HydrophobicContact CG2-CD2 4.35Å; T153-Y267 HydrophobicContact CG2-CE1 3.66Å; T153-Y267 HydrophobicContact CG2-CG 3.54Å
154	L	98.3	Very high	97.6	Very high	21 Å²	21	30.9 Å²	30.9	11%	0.11	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-43.8	175.2	-63.1	179.1	0	0	0	110.7	H61 F63 F145 N151 L152 T156 L157 M158 L260	H61-L154 PolarHBondContact CE1-O 3.32Å; F63-L154 HydrophobicContact CE2-CD1 3.93Å; F63-L154 HydrophobicContact CE2-CD2 4.19Å; F63-L154 HydrophobicContact CZ-CD1 4.16Å; F145-L154 HydrophobicContact CB-CD1 4.2Å; F145-L154 HydrophobicContact CD1-CB 4.21Å; F145-L154 HydrophobicContact CD2-CB 4.17Å; F145-L154 HydrophobicContact CD2-CD1 4.34Å; F145-L154 HydrophobicContact CE1-CB 4.22Å; F145-L154 HydrophobicContact CE2-CB 4.21Å; F145-L154 HydrophobicContact CG-CB 4.21Å; F145-L154 HydrophobicContact CG-CD1 4.2Å; F145-L154 HydrophobicContact CZ-CB 4.26Å; N151-L154 HydrophobicContact CB-CD1 4.25Å; N151-L154 WeakPolarHBondContact O-CB 3.32Å; N151-L154 PolarHBondContact O-N 3.44Å; L152-L154 PolarHBondContact O-N 2.97Å; L154-T156 PolarHBondContact O-N 3.05Å; L154-L157 PolarHBondContact O-N 2.95Å; L154-M158 WeakPolarHBondContact O-CB 3.24Å; L154-M158 PolarHBondContact O-N 3.2Å; L154-L260 HydrophobicContact CD2-CD1 4.44Å; L154-L260 HydrophobicContact CD2-CD2 3.89Å; L154-L260 HydrophobicContact CG-CD2 4.41Å
155	K	98.5	Very high	97.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-40.7	176.7	-173.5	179.2	-70.2	-173.3	0	113.2	T86 L117 F145 D147 N151 L152 T153 M158 G159	T86-K155 PolarHBondContact O-NZ 2.8Å; L117-K155 HydrophobicContact CB-CD 4.28Å; L117-K155 HydrophobicContact CB-CG 3.9Å; L117-K155 WeakPolarHBondContact O-CD 3.26Å; F145-K155 HydrophobicContact CE2-CB 4.2Å; F145-K155 HydrophobicContact CZ-CB 3.73Å; F145-K155 HydrophobicContact CZ-CG 4.36Å; D147-K155 VanDerWaalsContact OD1-CE 3.31Å; D147-K155 WeakPolarHBondContact OD1-CE 3.4Å; D147-K155 IonicContact OD1-NZ 3.5Å; D147-K155 PolarHBondContact OD1-NZ 2.77Å; D147-K155 WeakPolarHBondContact OD2-CE 3.38Å; D147-K155 IonicContact OD2-NZ 3.29Å; D147-K155 PolarHBondContact OD2-NZ 2.98Å; N151-K155 PolarHBondContact O-N 3.32Å; N151-K155 VanDerWaalsContact O-N 3.1Å; L152-K155 HydrophobicContact CD2-CD 4.32Å; L152-K155 WeakPolarHBondContact O-CB 3.4Å; L152-K155 PolarHBondContact O-N 3.46Å; T153-K155 VanDerWaalsContact C-N 3.34Å; T153-K155 PolarHBondContact O-N 3.09Å; K155-M158 HydrophobicContact CG-CE 4.11Å; K155-M158 WeakPolarHBondContact O-CB 3.45Å; K155-M158 PolarHBondContact O-N 2.97Å; K155-G159 PolarHBondContact O-N 2.87Å; K155-G159 VanDerWaalsContact O-N 3.17Å
156	T	98.6	Very high	97.6	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-70.5	-42.2	175.8	-71	0	0	0	0	111.7	L152 T153 L154 M158 G159 M160 Y241 E264 V268	L152-T156 PolarHBondContact O-N 3.12Å; L152-T156 PolarHBondContact O-OG1 3.38Å; T153-T156 PolarHBondContact O-N 2.8Å; L154-T156 PolarHBondContact O-N 3.05Å; T156-M158 VanDerWaalsContact C-N 3.27Å; T156-M158 PolarHBondContact O-N 3.41Å; T156-G159 PolarHBondContact O-N 3.23Å; T156-G159 VanDerWaalsContact O-N 3.15Å; T156-M160 HydrophobicContact CG2-CE 3.65Å; T156-M160 HydrophobicContact CG2-CG 4.49Å; T156-M160 HydrophobicContact CG2-SD 4.21Å; T156-M160 WeakPolarHBondContact O-CG 3.1Å; T156-M160 PolarHBondContact O-N 2.9Å; T156-Y241 WeakPolarHBondContact CG2-OH 3.24Å; T156-E264 VanDerWaalsContact CB-CG 3.46Å; T156-E264 HydrophobicContact CG2-CG 3.99Å; T156-E264 WeakPolarHBondContact CG2-OE1 3.21Å; T156-E264 WeakPolarHBondContact OG1-CG 3.5Å; T156-E264 PolarHBondContact OG1-OE1 3.1Å; T156-V268 HydrophobicContact CG2-CG2 4.17Å
157	L	98.5	Very high	97.6	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-36	175.8	-70	-179.1	0	0	0	112	T153 L154 M160 R161 I251 Y252 S255 L260 Y267	T153-L157 HydrophobicContact CG2-CD1 4.3Å; T153-L157 HydrophobicContact CG2-CG 4.46Å; T153-L157 WeakPolarHBondContact O-CB 3.39Å; T153-L157 VanDerWaalsContact O-CG 3.24Å; T153-L157 WeakPolarHBondContact O-CG 3.42Å; T153-L157 PolarHBondContact O-N 3.33Å; L154-L157 PolarHBondContact O-N 2.95Å; L157-M160 HydrophobicContact CD2-SD 4.44Å; L157-M160 PolarHBondContact O-N 3.47Å; L157-R161 VanDerWaalsContact O-CB 3.23Å; L157-R161 WeakPolarHBondContact O-CB 3.27Å; L157-R161 PolarHBondContact O-N 3.49Å; L157-I251 HydrophobicContact CD2-CG2 4.35Å; L157-Y252 HydrophobicContact CB-CD2 4.49Å; L157-S255 VanDerWaalsContact CD2-CB 3.48Å; L157-S255 WeakPolarHBondContact CD2-OG 3.18Å; L157-L260 HydrophobicContact CD1-CD1 4.26Å; L157-Y267 HydrophobicContact CD1-CE1 3.87Å; L157-Y267 HydrophobicContact CD2-CE1 4.14Å; L157-Y267 HydrophobicContact CG-CE1 4.3Å
158	M	98.6	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-49.9	171.2	177.7	-166.1	67	0	0	110.6	F65 L117 I141 E143 F145 L154 K155 T156 M160 R161 W162	F65-M158 HydrophobicContact CE1-CG 3.79Å; L117-M158 HydrophobicContact CB-CE 3.51Å; L117-M158 HydrophobicContact CD1-CE 4.14Å; L117-M158 HydrophobicContact CD2-CE 3.88Å; L117-M158 HydrophobicContact CG-CE 4.03Å; I141-M158 HydrophobicContact CG2-CE 4.25Å; I141-M158 HydrophobicContact CG2-CG 4.42Å; I141-M158 HydrophobicContact CG2-SD 4.01Å; E143-M158 HydrophobicContact CB-CG 3.8Å; E143-M158 HydrophobicContact CB-SD 3.25Å; E143-M158 WeakPolarHBondContact CB-SD 3.17Å; E143-M158 HydrophobicContact CG-CG 4.32Å; E143-M158 HydrophobicContact CG-SD 4.36Å; E143-M158 VanDerWaalsContact OE2-CB 3.23Å; E143-M158 WeakPolarHBondContact OE2-CB 3.21Å; E143-M158 VanDerWaalsContact OE2-CG 3.28Å; E143-M158 WeakPolarHBondContact OE2-CG 3.03Å; F145-M158 HydrophobicContact CE1-CB 4.32Å; F145-M158 HydrophobicContact CE1-SD 4.01Å; F145-M158 HydrophobicContact CZ-SD 4.46Å; L154-M158 WeakPolarHBondContact O-CB 3.24Å; L154-M158 PolarHBondContact O-N 3.2Å; K155-M158 HydrophobicContact CG-CE 4.11Å; K155-M158 WeakPolarHBondContact O-CB 3.45Å; K155-M158 PolarHBondContact O-N 2.97Å; T156-M158 VanDerWaalsContact C-N 3.27Å; T156-M158 PolarHBondContact O-N 3.41Å; M158-M160 PolarHBondContact O-N 3.15Å; M158-R161 WeakPolarHBondContact O-CB 3.18Å; M158-R161 PolarHBondContact O-N 2.61Å; M158-W162 WeakPolarHBondContact O-CB 3.25Å; M158-W162 PolarHBondContact O-N 2.86Å
159	G	98.6	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-43.3	176.7	0	0	0	0	0	113.1	K155 T156 W162 V163	K155-G159 PolarHBondContact O-N 2.87Å; K155-G159 VanDerWaalsContact O-N 3.17Å; T156-G159 PolarHBondContact O-N 3.23Å; T156-G159 VanDerWaalsContact O-N 3.15Å; G159-W162 PolarHBondContact O-N 2.83Å; G159-V163 WeakPolarHBondContact O-CG2 3.48Å; G159-V163 PolarHBondContact O-N 2.97Å
160	M	98.6	Very high	97.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-41.4	176.8	-68.2	178.6	177.9	0	0	112.4	T156 L157 M158 W162 V163 A164 Y241 F243 A248 I251 V268	T156-M160 HydrophobicContact CG2-CE 3.65Å; T156-M160 HydrophobicContact CG2-CG 4.49Å; T156-M160 HydrophobicContact CG2-SD 4.21Å; T156-M160 WeakPolarHBondContact O-CG 3.1Å; T156-M160 PolarHBondContact O-N 2.9Å; L157-M160 HydrophobicContact CD2-SD 4.44Å; L157-M160 PolarHBondContact O-N 3.47Å; M158-M160 PolarHBondContact O-N 3.15Å; M160-W162 VanDerWaalsContact C-N 3.34Å; M160-V163 PolarHBondContact O-N 2.94Å; M160-A164 WeakPolarHBondContact O-CB 3.34Å; M160-A164 PolarHBondContact O-N 3.48Å; M160-Y241 HydrophobicContact CE-CE2 4.36Å; M160-F243 HydrophobicContact CE-CE1 4.49Å; M160-F243 HydrophobicContact CE-CZ 4.16Å; M160-F243 HydrophobicContact CG-CZ 4.29Å; M160-A248 HydrophobicContact CB-CB 4.42Å; M160-I251 HydrophobicContact CE-CD1 3.75Å; M160-I251 HydrophobicContact CE-CG2 4.11Å; M160-I251 HydrophobicContact SD-CB 3.68Å; M160-I251 HydrophobicContact SD-CD1 4.03Å; M160-I251 HydrophobicContact SD-CG1 4.49Å; M160-I251 HydrophobicContact SD-CG2 3.3Å; M160-I251 WeakPolarHBondContact SD-CG2 3.29Å; M160-V268 HydrophobicContact CE-CG1 4.37Å; M160-V268 HydrophobicContact CE-CG2 3.89Å
161	R	98.4	Very high	98	Very high	52 Å²	52	31.4 Å²	31.4	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-46.3	172.6	180	-171.8	175.5	-171	-1.2	110.6	F63 F65 E143 L157 M158 A164 T165 Y252	F63-R161 PolarHBondContact O-NH1 2.78Å; F65-R161 HydrophobicContact CZ-CG 4.5Å; E143-R161 IonicContact OE1-CZ 2.93Å; E143-R161 IonicContact OE1-NH1 3.51Å; E143-R161 PolarHBondContact OE1-NH1 2.77Å; L157-R161 VanDerWaalsContact O-CB 3.23Å; L157-R161 WeakPolarHBondContact O-CB 3.27Å; L157-R161 PolarHBondContact O-N 3.49Å; M158-R161 WeakPolarHBondContact O-CB 3.18Å; M158-R161 PolarHBondContact O-N 2.61Å; R161-A164 PolarHBondContact O-N 2.94Å; R161-T165 WeakPolarHBondContact O-CB 3.44Å; R161-T165 PolarHBondContact O-N 3.23Å; R161-T165 PolarHBondContact O-OG1 3.41Å; R161-Y252 HydrophobicContact CB-CD1 4.28Å; R161-Y252 HydrophobicContact CB-CD2 3.73Å; R161-Y252 HydrophobicContact CB-CE1 4.16Å; R161-Y252 HydrophobicContact CB-CE2 3.62Å; R161-Y252 HydrophobicContact CB-CG 4.07Å; R161-Y252 WeakPolarHBondContact CD-OH 3.46Å; R161-Y252 HydrophobicContact CG-CD1 4.37Å; R161-Y252 HydrophobicContact CG-CD2 4.4Å; R161-Y252 HydrophobicContact CG-CE1 3.84Å; R161-Y252 HydrophobicContact CG-CE2 3.89Å
162	W	98.7	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-47.9	179.8	-173	97.3	0	0	0	110.9	F65 N68 E69 K72 V81 L115 I141 M158 G159 M160 A164 T165 F166 C167	F65-W162 HydrophobicContact CE1-CB 4.43Å; F65-W162 HydrophobicContact CZ-CB 4.27Å; N68-W162 VanDerWaalsContact OD1-CD1 3.29Å; N68-W162 PolarHBondContact OD1-NE1 3.16Å; E69-W162 HydrophobicContact CB-CZ2 4.35Å; E69-W162 WeakPolarHBondContact O-CZ2 3.05Å; K72-W162 HydrophobicContact CB-CH2 4.05Å; K72-W162 HydrophobicContact CB-CZ2 4.17Å; V81-W162 HydrophobicContact CG1-CZ3 4.5Å; L115-W162 HydrophobicContact CD1-CD2 4.31Å; L115-W162 HydrophobicContact CD1-CE3 3.77Å; L115-W162 HydrophobicContact CD1-CH2 3.38Å; L115-W162 HydrophobicContact CD1-CZ2 3.89Å; L115-W162 HydrophobicContact CD1-CZ3 3.3Å; I141-W162 HydrophobicContact CD1-CB 4.31Å; I141-W162 VanDerWaalsContact CD1-CD1 3.46Å; I141-W162 HydrophobicContact CD1-CD2 3.58Å; I141-W162 HydrophobicContact CD1-CE3 4.29Å; I141-W162 HydrophobicContact CD1-CG 3.53Å; I141-W162 HydrophobicContact CD1-CZ2 4.33Å; M158-W162 WeakPolarHBondContact O-CB 3.25Å; M158-W162 PolarHBondContact O-N 2.86Å; G159-W162 PolarHBondContact O-N 2.83Å; M160-W162 VanDerWaalsContact C-N 3.34Å; W162-A164 PolarHBondContact O-N 2.76Å; W162-T165 PolarHBondContact O-N 3.2Å; W162-F166 HydrophobicContact CB-CD2 4.48Å; W162-F166 AromaticContact CD1-CD2 3.41Å; W162-F166 VanDerWaalsContact CD1-CD2 3.41Å; W162-F166 AromaticContact CD1-CE2 3.79Å; W162-F166 HydrophobicContact CD2-CB 4.3Å; W162-F166 HydrophobicContact CD2-CD2 4.06Å; W162-F166 AromaticContact CE2-CD2 3.87Å; W162-F166 AromaticContact CG-CD2 3.77Å; W162-F166 HydrophobicContact CG-CD2 3.77Å; W162-F166 HydrophobicContact CG-CE2 4.43Å; W162-F166 HydrophobicContact CH2-CB 4.36Å; W162-F166 HydrophobicContact CZ2-CB 4.04Å; W162-F166 AromaticContact NE1-CD2 3.45Å; W162-F166 WeakPolarHBondContact O-CD2 3.39Å; W162-F166 PolarHBondContact O-N 2.93Å; W162-C167 HydrophobicContact CE3-CB 4.42Å; W162-C167 HydrophobicContact CH2-CB 4.25Å; W162-C167 HydrophobicContact CZ3-CB 3.67Å
163	V	98.7	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-45.9	175.9	171.6	0	0	0	0	111.2	V81 L83 G159 M160 T165 C167 S168 V173 A248	V81-V163 HydrophobicContact CG1-CG2 4.08Å; L83-V163 HydrophobicContact CD1-CG2 3.98Å; L83-V163 HydrophobicContact CD2-CG2 4.23Å; L83-V163 HydrophobicContact CG-CG2 4.48Å; G159-V163 WeakPolarHBondContact O-CG2 3.48Å; G159-V163 PolarHBondContact O-N 2.97Å; M160-V163 PolarHBondContact O-N 2.94Å; V163-T165 PolarHBondContact O-N 2.83Å; V163-C167 HydrophobicContact CG1-CB 4.44Å; V163-C167 CarbonylContact O-C 3.58Å; V163-C167 VanDerWaalsContact O-CA 3.3Å; V163-C167 WeakPolarHBondContact O-CA 3.17Å; V163-C167 PolarHBondContact O-N 3.23Å; V163-S168 WeakPolarHBondContact O-CA 3.25Å; V163-S168 PolarHBondContact O-N 3.29Å; V163-V173 HydrophobicContact CG1-CG2 3.8Å; V163-V173 HydrophobicContact CG2-CG1 4.27Å; V163-V173 HydrophobicContact CG2-CG2 4.23Å; V163-A248 HydrophobicContact CB-CB 4.11Å; V163-A248 HydrophobicContact CG1-CB 3.92Å
164	A	98	Very high	98.2	Very high	21 Å²	21	27.4 Å²	27.4	17%	0.174	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-32.5	179.2	0	0	0	0	0	112.7	M160 R161 W162 E249	M160-A164 WeakPolarHBondContact O-CB 3.34Å; M160-A164 PolarHBondContact O-N 3.48Å; R161-A164 PolarHBondContact O-N 2.94Å; W162-A164 PolarHBondContact O-N 2.76Å; A164-E249 HydrophobicContact CB-CB 3.77Å; A164-E249 HydrophobicContact CB-CG 4.17Å
165	T	97.5	Very high	98.2	Very high	84 Å²	84	26.7 Å²	26.7	52%	0.515	14%	0.137	S	C	.	.	H	α-helix	trans	-87.2	-49.6	-176.1	-52.6	0	0	0	0	112.1	R161 W162 V163	R161-T165 WeakPolarHBondContact O-CB 3.44Å; R161-T165 PolarHBondContact O-N 3.23Å; R161-T165 PolarHBondContact O-OG1 3.41Å; W162-T165 PolarHBondContact O-N 3.2Å; V163-T165 PolarHBondContact O-N 2.83Å
166	F	98	Very high	98.3	Very high	60 Å²	60	26.6 Å²	26.6	26%	0.263	14%	0.136	S	C	.	.	H	α-helix	trans	-107.8	-16.1	-168.1	-56.5	-70.4	0	0	0	113.6	F65 N68 P70 C73 W162	F65-F166 HydrophobicContact CD2-CE2 4.45Å; F65-F166 AromaticContact CE2-CE2 3.96Å; F65-F166 HydrophobicContact CE2-CE2 3.96Å; F65-F166 HydrophobicContact CZ-CE2 4.42Å; N68-F166 WeakPolarHBondContact ND2-CZ 2.87Å; P70-F166 HydrophobicContact CB-CD1 3.73Å; P70-F166 HydrophobicContact CB-CE1 3.69Å; P70-F166 HydrophobicContact CB-CZ 4.43Å; C73-F166 WeakPolarHBondContact CB-O 3.29Å; W162-F166 HydrophobicContact CB-CD2 4.48Å; W162-F166 AromaticContact CD1-CD2 3.41Å; W162-F166 VanDerWaalsContact CD1-CD2 3.41Å; W162-F166 AromaticContact CD1-CE2 3.79Å; W162-F166 HydrophobicContact CD2-CB 4.3Å; W162-F166 HydrophobicContact CD2-CD2 4.06Å; W162-F166 AromaticContact CE2-CD2 3.87Å; W162-F166 AromaticContact CG-CD2 3.77Å; W162-F166 HydrophobicContact CG-CD2 3.77Å; W162-F166 HydrophobicContact CG-CE2 4.43Å; W162-F166 HydrophobicContact CH2-CB 4.36Å; W162-F166 HydrophobicContact CZ2-CB 4.04Å; W162-F166 AromaticContact NE1-CD2 3.45Å; W162-F166 WeakPolarHBondContact O-CD2 3.39Å; W162-F166 PolarHBondContact O-N 2.93Å
167	C	97.8	Very high	98.2	Very high	4 Å²	4	28 Å²	28	3%	0.027	14%	0.144	C	C	.	.			trans	-138.1	31	-173.1	-150.7	0	0	0	0	114.1	C73 V81 W162 V163 K169 A170	C73-C167 HydrophobicContact CB-CB 3.72Å; C73-C167 WeakPolarHBondContact CB-SG 3.13Å; C73-C167 WeakPolarHBondContact SG-CB 3.34Å; C73-C167 CovalentContact SG-SG 2.04Å; C73-C167 PolarHBondContact SG-SG 3.09Å; V81-C167 HydrophobicContact CG2-CB 4.38Å; V81-C167 WeakPolarHBondContact CG2-SG 3.29Å; W162-C167 HydrophobicContact CE3-CB 4.42Å; W162-C167 HydrophobicContact CH2-CB 4.25Å; W162-C167 HydrophobicContact CZ3-CB 3.67Å; V163-C167 HydrophobicContact CG1-CB 4.44Å; V163-C167 CarbonylContact O-C 3.58Å; V163-C167 VanDerWaalsContact O-CA 3.3Å; V163-C167 WeakPolarHBondContact O-CA 3.17Å; V163-C167 PolarHBondContact O-N 3.23Å; C167-K169 PolarHBondContact O-N 3.1Å; C167-A170 WeakPolarHBondContact O-CB 3.26Å; C167-A170 PolarHBondContact O-N 3.4Å; C167-A170 VanDerWaalsContact O-N 3.08Å
168	S	96.4	Very high	98.2	Very high	69 Å²	69	28.2 Å²	28.2	48%	0.483	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.8	-170.9	59.6	0	0	0	0	115	V163	V163-S168 WeakPolarHBondContact O-CA 3.25Å; V163-S168 PolarHBondContact O-N 3.29Å
169	K	96.9	Very high	98.2	Very high	151 Å²	151	30.5 Å²	30.5	66%	0.657	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.5	-180	-64.6	-179.3	-177.6	172.5	0	114	V77 C167	V77-K169 HydrophobicContact CB-CB 4.45Å; V77-K169 HydrophobicContact CG1-CB 3.64Å; V77-K169 WeakPolarHBondContact CG1-O 3.43Å; V77-K169 HydrophobicContact CG2-CB 3.89Å; V77-K169 HydrophobicContact CG2-CD 4.23Å; C167-K169 PolarHBondContact O-N 3.1Å
170	A	98.1	Very high	98.2	Very high	7 Å²	7	30.5 Å²	30.5	6%	0.058	16%	0.158	C	C	.	.			trans	-55.9	159.7	177	0	0	0	0	0	111.5	P78 V81 C167 A245	P78-A170 VanDerWaalsContact O-CA 3.29Å; P78-A170 WeakPolarHBondContact O-CA 3.05Å; V81-A170 HydrophobicContact CG2-CB 3.85Å; C167-A170 WeakPolarHBondContact O-CB 3.26Å; C167-A170 PolarHBondContact O-N 3.4Å; C167-A170 VanDerWaalsContact O-N 3.08Å; A170-A245 HydrophobicContact CB-CB 4.11Å; A170-A245 WeakPolarHBondContact O-CB 3.23Å
171	K	98.2	Very high	98.2	Very high	93 Å²	93	30.7 Å²	30.7	40%	0.404	16%	0.159	S	C	.	.	S	Bend	trans	-88.9	-47.9	179.6	-54.8	-49.1	-176.2	-164.8	0	111.6	F79 P198 S244 A245	F79-K171 HydrophobicContact CD2-CB 4Å; F79-K171 HydrophobicContact CD2-CG 3.89Å; F79-K171 HydrophobicContact CE2-CB 4.21Å; F79-K171 HydrophobicContact CE2-CG 4.35Å; F79-K171 WeakPolarHBondContact O-CB 3.41Å; F79-K171 PolarHBondContact O-N 3.36Å; K171-P198 HydrophobicContact CB-CB 4.33Å; K171-P198 HydrophobicContact CB-CG 4.42Å; K171-P198 HydrophobicContact CD-CB 4.27Å; K171-P198 HydrophobicContact CD-CG 3.91Å; K171-P198 HydrophobicContact CG-CG 4.12Å; K171-S244 WeakPolarHBondContact O-CA 3.27Å; K171-A245 PolarHBondContact O-N 3.28Å; K171-A245 VanDerWaalsContact O-N 3.11Å
172	Y	98.8	Very high	98.2	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	157.1	-177.3	-61.9	-75.4	0	0	0	111.3	F79 L80 V81 L192 R199 Y202 I242 F243	F79-Y172 HydrophobicContact CE1-CD2 4.18Å; F79-Y172 HydrophobicContact CE2-CD2 4.04Å; F79-Y172 AromaticContact CE2-CE2 3.98Å; F79-Y172 HydrophobicContact CE2-CE2 3.98Å; F79-Y172 AromaticContact CZ-CD2 3.75Å; F79-Y172 HydrophobicContact CZ-CD2 3.75Å; F79-Y172 AromaticContact CZ-CE2 3.77Å; F79-Y172 HydrophobicContact CZ-CE2 3.77Å; F79-Y172 PolarHBondContact O-N 2.87Å; L80-Y172 WeakPolarHBondContact CA-O 3.42Å; V81-Y172 PolarHBondContact N-O 3.2Å; Y172-L192 HydrophobicContact CD1-CD2 3.77Å; Y172-L192 HydrophobicContact CD2-CB 4.24Å; Y172-L192 HydrophobicContact CD2-CD1 4.1Å; Y172-L192 HydrophobicContact CD2-CD2 3.73Å; Y172-L192 HydrophobicContact CD2-CG 4.25Å; Y172-L192 HydrophobicContact CE1-CD2 4.03Å; Y172-L192 HydrophobicContact CE2-CB 4.18Å; Y172-L192 HydrophobicContact CE2-CD2 3.98Å; Y172-L192 HydrophobicContact CG-CD1 4.26Å; Y172-L192 HydrophobicContact CG-CD2 3.59Å; Y172-L192 HydrophobicContact CG-CG 4.46Å; Y172-R199 HydrophobicContact CE1-CB 4.42Å; Y172-R199 PolarHBondContact OH-N 2.94Å; Y172-Y202 HydrophobicContact CE1-CD1 4.15Å; Y172-I242 HydrophobicContact CD1-CG2 4.4Å; Y172-F243 CarbonylContact C-O 3.59Å; Y172-F243 WeakPolarHBondContact CA-O 3.37Å
173	V	98.9	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136	173.3	-172.7	0	0	0	0	107.9	V81 L83 V163 I242 F243 A245	V81-V173 CarbonylContact O-C 3.49Å; V81-V173 VanDerWaalsContact O-CA 3.23Å; V81-V173 WeakPolarHBondContact O-CA 3.45Å; L83-V173 HydrophobicContact CD1-CG1 3.62Å; L83-V173 HydrophobicContact CG-CG1 3.89Å; V163-V173 HydrophobicContact CG1-CG2 3.8Å; V163-V173 HydrophobicContact CG2-CG1 4.27Å; V163-V173 HydrophobicContact CG2-CG2 4.23Å; V173-I242 WeakPolarHBondContact O-CA 3.46Å; V173-F243 HydrophobicContact CB-CD1 4.22Å; V173-F243 HydrophobicContact CB-CD2 3.99Å; V173-F243 HydrophobicContact CB-CE1 3.8Å; V173-F243 HydrophobicContact CB-CE2 3.57Å; V173-F243 HydrophobicContact CB-CG 4.32Å; V173-F243 HydrophobicContact CB-CZ 3.48Å; V173-F243 VanDerWaalsContact CB-CZ 3.48Å; V173-F243 HydrophobicContact CG1-CE1 3.73Å; V173-F243 HydrophobicContact CG1-CE2 3.88Å; V173-F243 HydrophobicContact CG1-CZ 3.32Å; V173-F243 HydrophobicContact CG2-CD2 4.34Å; V173-F243 HydrophobicContact CG2-CE2 3.89Å; V173-F243 HydrophobicContact CG2-CZ 4.22Å; V173-F243 PolarHBondContact N-O 3.25Å; V173-F243 PolarHBondContact O-N 3.32Å; V173-A245 HydrophobicContact CG2-CB 4.19Å
174	M	98.9	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.6	165.4	-174.3	162.6	172.9	0	0	108.5	L80 V81 I82 L83 T176 V182 L187 Y241 I242 T302	L80-M174 HydrophobicContact CD1-CB 4.23Å; V81-M174 PolarHBondContact O-N 2.94Å; I82-M174 HydrophobicContact CG1-CB 4.45Å; I82-M174 HydrophobicContact CG2-CB 4.21Å; I82-M174 HydrophobicContact CG2-CG 4.43Å; L83-M174 WeakPolarHBondContact CB-O 3.15Å; L83-M174 PolarHBondContact N-O 3.08Å; M174-T176 HydrophobicContact CE-CG2 4.12Å; M174-V182 HydrophobicContact CE-CB 4.35Å; M174-V182 HydrophobicContact CE-CG1 3.87Å; M174-V182 HydrophobicContact CE-CG2 3.46Å; M174-V182 VanDerWaalsContact CE-CG2 3.46Å; M174-V182 HydrophobicContact SD-CG1 4.07Å; M174-V182 HydrophobicContact SD-CG2 4.38Å; M174-L187 HydrophobicContact SD-CD2 3.6Å; M174-Y241 WeakPolarHBondContact CA-O 3.38Å; M174-I242 HydrophobicContact CB-CD1 3.43Å; M174-I242 VanDerWaalsContact CB-CD1 3.43Å; M174-I242 HydrophobicContact CG-CD1 3.75Å; M174-I242 HydrophobicContact SD-CD1 4.09Å; M174-T302 HydrophobicContact CE-CG2 3.96Å
175	K	98.8	Very high	97.9	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.8	158.8	-176.5	-92.8	168.1	178.3	0	107.8	L83 D177 G238 G240 Y241 F243 E264	L83-K175 WeakPolarHBondContact O-CA 3.34Å; K175-D177 WeakPolarHBondContact CE-OD1 3.4Å; K175-D177 IonicContact NZ-OD1 3.02Å; K175-D177 PolarHBondContact NZ-OD1 3.25Å; K175-D177 IonicContact NZ-OD2 3.56Å; K175-G238 PolarHBondContact NZ-O 3.5Å; K175-G240 VanDerWaalsContact O-CA 3.29Å; K175-G240 WeakPolarHBondContact O-CA 3.49Å; K175-Y241 HydrophobicContact CB-CD2 4.09Å; K175-Y241 HydrophobicContact CB-CE1 4.26Å; K175-Y241 HydrophobicContact CB-CE2 3.5Å; K175-Y241 VanDerWaalsContact CB-CE2 3.5Å; K175-Y241 HydrophobicContact CD-CD1 4.47Å; K175-Y241 HydrophobicContact CD-CE1 3.69Å; K175-Y241 HydrophobicContact CD-CE2 4.47Å; K175-Y241 HydrophobicContact CG-CE1 4.4Å; K175-Y241 HydrophobicContact CG-CE2 4.31Å; K175-Y241 PolarHBondContact N-O 2.97Å; K175-Y241 PolarHBondContact O-N 3.19Å; K175-F243 HydrophobicContact CB-CE1 4.4Å; K175-E264 IonicContact NZ-OE2 3.61Å; K175-E264 PolarHBondContact NZ-OE2 3.21Å
176	T	98.7	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	173.8	177.3	-165.8	0	0	0	0	110.7	I82 L83 I84 S85 W101 M174 I180 T239	I82-T176 HydrophobicContact CG2-CG2 4.23Å; L83-T176 PolarHBondContact O-N 2.92Å; I84-T176 WeakPolarHBondContact CA-O 3.28Å; I84-T176 HydrophobicContact CB-CG2 4.5Å; I84-T176 HydrophobicContact CG1-CG2 3.91Å; I84-T176 HydrophobicContact CG2-CG2 4.48Å; S85-T176 PolarHBondContact N-O 3.02Å; W101-T176 HydrophobicContact CH2-CG2 3.98Å; M174-T176 HydrophobicContact CE-CG2 4.12Å; T176-I180 WeakPolarHBondContact OG1-CB 3.3Å; T176-I180 WeakPolarHBondContact OG1-CG1 3.41Å; T176-T239 PolarHBondContact OG1-O 3.31Å
177	D	98.4	Very high	97.9	Very high	34 Å²	34	24.6 Å²	24.6	18%	0.182	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	167.8	177	-54.7	-31.7	0	0	0	110.9	K175 D179 I180	K175-D177 WeakPolarHBondContact CE-OD1 3.4Å; K175-D177 IonicContact NZ-OD1 3.02Å; K175-D177 PolarHBondContact NZ-OD1 3.25Å; K175-D177 IonicContact NZ-OD2 3.56Å; D177-D179 VanDerWaalsContact C-N 3.3Å; D177-D179 PolarHBondContact O-N 2.63Å; D177-I180 HydrophobicContact CB-CG1 4.06Å; D177-I180 WeakPolarHBondContact O-CG1 3.33Å
178	S	98.3	Very high	97.9	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.063	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.5	-177.1	51.5	0	0	0	0	114.7	S85 E90 I180	S85-S178 PolarHBondContact O-N 2.81Å; E90-S178 PolarHBondContact OE1-OG 3.16Å; S178-I180 VanDerWaalsContact C-N 3.33Å
179	D	98.1	Very high	97.8	Very high	49 Å²	49	26.6 Å²	26.6	26%	0.262	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	21.7	-177.2	72.9	-23.3	0	0	0	112.9	D177 H304 Q305 I306	D177-D179 VanDerWaalsContact C-N 3.3Å; D177-D179 PolarHBondContact O-N 2.63Å; D179-H304 IonicContact OD1-CD2 2.94Å; D179-H304 IonicContact OD1-NE2 2.73Å; D179-H304 IonicContact OD2-CD2 3.83Å; D179-H304 PolarHBondContact OD2-CD2 2.77Å; D179-H304 VanDerWaalsContact OD2-CD2 3.28Å; D179-H304 IonicContact OD2-NE2 3.44Å; D179-H304 PolarHBondContact OD2-NE2 2.69Å; D179-Q305 PolarHBondContact O-N 3.36Å; D179-I306 PolarHBondContact O-N 3.46Å
180	I	98.4	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.7	-179.1	-51.5	-61.2	0	0	0	110	W101 T176 D177 S178 V182 T239 T302 V303 H304	W101-I180 WeakPolarHBondContact CZ2-O 3.46Å; W101-I180 PolarHBondContact NE1-O 3.11Å; T176-I180 WeakPolarHBondContact OG1-CB 3.3Å; T176-I180 WeakPolarHBondContact OG1-CG1 3.41Å; D177-I180 HydrophobicContact CB-CG1 4.06Å; D177-I180 WeakPolarHBondContact O-CG1 3.33Å; S178-I180 VanDerWaalsContact C-N 3.33Å; I180-V182 HydrophobicContact CG2-CG2 4.15Å; I180-T239 HydrophobicContact CD1-CG2 4.43Å; I180-T239 WeakPolarHBondContact CD1-O 3.23Å; I180-T239 WeakPolarHBondContact CG1-O 3.36Å; I180-T302 HydrophobicContact CG2-CG2 4.12Å; I180-V303 WeakPolarHBondContact CA-O 3.31Å; I180-H304 HydrophobicContact CD1-CB 3.75Å; I180-H304 VanDerWaalsContact CD1-CD2 3.42Å; I180-H304 WeakPolarHBondContact CD1-CD2 3.35Å
181	F	97.9	Very high	97.7	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.1	163.1	179.8	-92.5	0	0	0	110	W101 N183 Y297 T302 V303 I306 M311 I314 W315	W101-F181 AromaticContact CD1-CD2 3.81Å; F181-N183 HydrophobicContact CE1-CB 4.34Å; F181-Y297 HydrophobicContact CD1-CD1 4.28Å; F181-T302 WeakPolarHBondContact O-CA 3.5Å; F181-V303 PolarHBondContact N-O 3.14Å; F181-V303 PolarHBondContact O-N 3.34Å; F181-I306 HydrophobicContact CB-CB 4.32Å; F181-I306 HydrophobicContact CB-CG1 3.86Å; F181-I306 HydrophobicContact CB-CG2 4.21Å; F181-M311 HydrophobicContact CD2-CG 4.08Å; F181-I314 HydrophobicContact CD1-CG2 4Å; F181-I314 HydrophobicContact CD2-CB 4.25Å; F181-I314 HydrophobicContact CD2-CG2 3.86Å; F181-I314 HydrophobicContact CE1-CG2 3.7Å; F181-I314 HydrophobicContact CE2-CB 4.11Å; F181-I314 HydrophobicContact CE2-CG2 3.56Å; F181-I314 HydrophobicContact CG-CG2 4.08Å; F181-I314 HydrophobicContact CZ-CB 4.49Å; F181-I314 HydrophobicContact CZ-CG2 3.48Å; F181-I314 VanDerWaalsContact CZ-CG2 3.48Å; F181-W315 HydrophobicContact CE2-CB 4.35Å; F181-W315 HydrophobicContact CE2-CE3 4.17Å; F181-W315 HydrophobicContact CZ-CE3 4.2Å
182	V	98.3	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.4	177.9	-170.5	0	0	0	0	110.7	W101 M174 I180 M184 L187 I301	W101-V182 VanDerWaalsContact CB-O 3.29Å; W101-V182 WeakPolarHBondContact CB-O 3.48Å; W101-V182 HydrophobicContact CD2-CB 3.83Å; W101-V182 HydrophobicContact CD2-CG2 3.94Å; W101-V182 HydrophobicContact CE3-CB 3.73Å; W101-V182 HydrophobicContact CE3-CG2 3.75Å; W101-V182 HydrophobicContact CG-CB 4.24Å; W101-V182 HydrophobicContact CH2-CG2 3.89Å; W101-V182 HydrophobicContact CZ2-CG2 4.04Å; W101-V182 HydrophobicContact CZ3-CB 4.22Å; W101-V182 HydrophobicContact CZ3-CG2 3.74Å; M174-V182 HydrophobicContact CE-CB 4.35Å; M174-V182 HydrophobicContact CE-CG1 3.87Å; M174-V182 HydrophobicContact CE-CG2 3.46Å; M174-V182 VanDerWaalsContact CE-CG2 3.46Å; M174-V182 HydrophobicContact SD-CG1 4.07Å; M174-V182 HydrophobicContact SD-CG2 4.38Å; I180-V182 HydrophobicContact CG2-CG2 4.15Å; V182-M184 HydrophobicContact CB-SD 4.17Å; V182-M184 HydrophobicContact CG1-CG 4.36Å; V182-M184 HydrophobicContact CG1-SD 3.59Å; V182-M184 VanDerWaalsContact CG1-SD 3.59Å; V182-M184 PolarHBondContact O-N 3.45Å; V182-L187 HydrophobicContact CG1-CD2 3.99Å; V182-I301 CarbonylContact C-O 3.55Å; V182-I301 WeakPolarHBondContact CA-O 3.49Å
183	N	97.4	Very high	97.6	Very high	9 Å²	9	27.2 Å²	27.2	5%	0.048	13%	0.126	C	C	.	.			trans	-77.4	89	168.3	-176.2	-22	0	0	0	109.6	F181 D185 N186 L187 Y297 V300 I301 M318	F181-N183 HydrophobicContact CE1-CB 4.34Å; N183-D185 VanDerWaalsContact C-N 3.3Å; N183-D185 PolarHBondContact O-N 2.68Å; N183-D185 PolarHBondContact OD1-N 3.46Å; N183-N186 HydrophobicContact CB-CB 4.33Å; N183-N186 PolarHBondContact ND2-ND2 3.49Å; N183-N186 VanDerWaalsContact ND2-ND2 3.17Å; N183-N186 PolarHBondContact O-N 2.85Å; N183-N186 PolarHBondContact OD1-N 2.89Å; N183-L187 PolarHBondContact O-N 3.37Å; N183-Y297 PolarHBondContact ND2-O 3.48Å; N183-V300 WeakPolarHBondContact CB-O 3.4Å; N183-V300 PolarHBondContact ND2-O 3.07Å; N183-I301 PolarHBondContact N-O 3.04Å; N183-M318 WeakPolarHBondContact ND2-CE 3.42Å
184	M	97.4	Very high	97.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-31.5	-174.9	-68.7	-60.2	-71.2	0	0	113.9	L80 I82 W101 F107 I112 V182 L187 I188	L80-M184 HydrophobicContact CD2-CE 3.95Å; I82-M184 HydrophobicContact CD1-CE 3.67Å; I82-M184 HydrophobicContact CD1-SD 4.11Å; W101-M184 HydrophobicContact CB-CG 4.03Å; W101-M184 HydrophobicContact CE3-SD 4.47Å; W101-M184 VanDerWaalsContact O-CG 3.24Å; W101-M184 WeakPolarHBondContact O-CG 3.47Å; F107-M184 HydrophobicContact CE1-CB 4.39Å; F107-M184 HydrophobicContact CE2-CB 3.38Å; F107-M184 HydrophobicContact CE2-CE 4.47Å; F107-M184 HydrophobicContact CE2-CG 4.15Å; F107-M184 HydrophobicContact CZ-CB 3.27Å; F107-M184 HydrophobicContact CZ-CG 4.46Å; I112-M184 HydrophobicContact CD1-CE 3.85Å; V182-M184 HydrophobicContact CB-SD 4.17Å; V182-M184 HydrophobicContact CG1-CG 4.36Å; V182-M184 HydrophobicContact CG1-SD 3.59Å; V182-M184 VanDerWaalsContact CG1-SD 3.59Å; V182-M184 PolarHBondContact O-N 3.45Å; M184-L187 HydrophobicContact CE-CD2 4.26Å; M184-L187 PolarHBondContact O-N 3.37Å; M184-L187 HydrophobicContact SD-CD2 3.79Å; M184-I188 HydrophobicContact CE-CD1 3.91Å; M184-I188 HydrophobicContact CE-CG1 4.42Å; M184-I188 WeakPolarHBondContact O-CB 3.3Å; M184-I188 WeakPolarHBondContact O-CG1 3.45Å; M184-I188 PolarHBondContact O-N 2.86Å
185	D	95.4	Very high	97.2	Very high	66 Å²	66	37.1 Å²	37.1	35%	0.353	18%	0.181	S	C	.	.	H	α-helix	trans	-62.3	-46	174.9	-78.4	-35.6	0	0	0	111.1	F107 N183 Y189	F107-D185 WeakPolarHBondContact CE1-OD1 3.37Å; N183-D185 VanDerWaalsContact C-N 3.3Å; N183-D185 PolarHBondContact O-N 2.68Å; N183-D185 PolarHBondContact OD1-N 3.46Å; D185-Y189 WeakPolarHBondContact O-CB 3.47Å; D185-Y189 WeakPolarHBondContact O-CD2 3.34Å; D185-Y189 PolarHBondContact O-N 3.28Å
186	N	96.4	Very high	97	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	20%	0.201	C	C	.	.	I	π-helix	trans	-67.6	-42.1	176	-78.8	-8.9	0	0	0	111.8	N183 K190 L191 R298 V300 I301	N183-N186 HydrophobicContact CB-CB 4.33Å; N183-N186 PolarHBondContact ND2-ND2 3.49Å; N183-N186 VanDerWaalsContact ND2-ND2 3.17Å; N183-N186 PolarHBondContact O-N 2.85Å; N183-N186 PolarHBondContact OD1-N 2.89Å; N186-K190 HydrophobicContact CB-CD 4.43Å; N186-K190 WeakPolarHBondContact O-CA 3.42Å; N186-K190 VanDerWaalsContact O-CB 3.29Å; N186-K190 WeakPolarHBondContact O-CB 3.44Å; N186-K190 PolarHBondContact O-N 3.05Å; N186-K190 VanDerWaalsContact O-N 3.12Å; N186-K190 VanDerWaalsContact OD1-CD 3.28Å; N186-K190 WeakPolarHBondContact OD1-CD 3.36Å; N186-K190 WeakPolarHBondContact OD1-CE 3.43Å; N186-K190 PolarHBondContact OD1-NZ 3.48Å; N186-L191 PolarHBondContact O-N 3.38Å; N186-L191 VanDerWaalsContact O-N 3.08Å; N186-R298 PolarHBondContact ND2-O 2.91Å; N186-V300 PolarHBondContact ND2-O 3.34Å; N186-I301 HydrophobicContact CB-CG1 4.1Å
187	L	98.1	Very high	96.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-58.1	-54.7	177.6	177.1	57	0	0	0	111	L80 M174 V182 N183 M184 L191 L192 I242 I301	L80-L187 HydrophobicContact CD2-CD2 3.78Å; L80-L187 HydrophobicContact CD2-CG 4.49Å; M174-L187 HydrophobicContact SD-CD2 3.6Å; V182-L187 HydrophobicContact CG1-CD2 3.99Å; N183-L187 PolarHBondContact O-N 3.37Å; M184-L187 HydrophobicContact CE-CD2 4.26Å; M184-L187 PolarHBondContact O-N 3.37Å; M184-L187 HydrophobicContact SD-CD2 3.79Å; L187-L191 HydrophobicContact CD1-CD2 4Å; L187-L191 WeakPolarHBondContact O-CB 3.37Å; L187-L191 PolarHBondContact O-N 3.44Å; L187-L192 HydrophobicContact CD1-CD1 4.21Å; L187-L192 HydrophobicContact CD1-CG 4.21Å; L187-L192 HydrophobicContact CG-CD1 4.22Å; L187-L192 WeakPolarHBondContact O-CG 3.48Å; L187-L192 PolarHBondContact O-N 2.73Å; L187-I242 HydrophobicContact CD1-CD1 3.63Å; L187-I242 HydrophobicContact CD1-CG1 3.79Å; L187-I242 HydrophobicContact CD2-CD1 4.34Å; L187-I301 HydrophobicContact CB-CG2 4.09Å; L187-I301 HydrophobicContact CD1-CG2 4.2Å
188	I	97.4	Very high	96.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-73	-56.9	-173.1	-69.2	171.9	0	0	0	110.3	F107 I110 I112 M184 L192 K193 P194	F107-I188 HydrophobicContact CB-CD1 4.38Å; F107-I188 HydrophobicContact CD1-CD1 3.55Å; F107-I188 HydrophobicContact CD2-CD1 3.82Å; F107-I188 HydrophobicContact CE1-CD1 3.73Å; F107-I188 HydrophobicContact CE2-CD1 4Å; F107-I188 HydrophobicContact CG-CD1 3.62Å; F107-I188 HydrophobicContact CZ-CD1 3.98Å; I110-I188 HydrophobicContact CD1-CG2 3.45Å; I110-I188 VanDerWaalsContact CD1-CG2 3.45Å; I112-I188 HydrophobicContact CD1-CD1 3.61Å; M184-I188 HydrophobicContact CE-CD1 3.91Å; M184-I188 HydrophobicContact CE-CG1 4.42Å; M184-I188 WeakPolarHBondContact O-CB 3.3Å; M184-I188 WeakPolarHBondContact O-CG1 3.45Å; M184-I188 PolarHBondContact O-N 2.86Å; I188-L192 CarbonylContact O-C 3.48Å; I188-L192 PolarHBondContact O-N 2.99Å; I188-K193 PolarHBondContact O-N 3.05Å; I188-P194 HydrophobicContact CG2-CG 3.75Å; I188-P194 WeakPolarHBondContact O-CD 2.99Å
189	Y	96	Very high	96.7	Very high	115 Å²	115	54 Å²	54	45%	0.451	26%	0.261	S	S	.	.	I	π-helix	trans	-86.3	-29.3	-167	-59.9	-63.6	0	0	0	113.9	F107 I110 D185	F107-Y189 AromaticContact CD1-CE2 3.91Å; F107-Y189 HydrophobicContact CD1-CE2 3.91Å; F107-Y189 AromaticContact CE1-CE2 3.75Å; F107-Y189 HydrophobicContact CE1-CE2 3.75Å; I110-Y189 HydrophobicContact CD1-CE1 3.74Å; D185-Y189 WeakPolarHBondContact O-CB 3.47Å; D185-Y189 WeakPolarHBondContact O-CD2 3.34Å; D185-Y189 PolarHBondContact O-N 3.28Å
190	K	95.8	Very high	96.7	Very high	131 Å²	131	60.9 Å²	60.9	57%	0.57	28%	0.283	S	S	*	.	I	π-helix	trans	-93	-42.8	178.9	-59.1	-175.8	-178.4	162	0	112.4	N186 K193	N186-K190 HydrophobicContact CB-CD 4.43Å; N186-K190 WeakPolarHBondContact O-CA 3.42Å; N186-K190 VanDerWaalsContact O-CB 3.29Å; N186-K190 WeakPolarHBondContact O-CB 3.44Å; N186-K190 PolarHBondContact O-N 3.05Å; N186-K190 VanDerWaalsContact O-N 3.12Å; N186-K190 VanDerWaalsContact OD1-CD 3.28Å; N186-K190 WeakPolarHBondContact OD1-CD 3.36Å; N186-K190 WeakPolarHBondContact OD1-CE 3.43Å; N186-K190 PolarHBondContact OD1-NZ 3.48Å; K190-K193 WeakPolarHBondContact O-CE 3.48Å
191	L	97.4	Very high	96.7	Very high	20 Å²	20	66.1 Å²	66.1	11%	0.105	30%	0.303	C	S	.	.	I	π-helix	trans	-89	-54.1	-177.3	179.7	60.7	0	0	0	113.2	N186 L187 R199 T204 I242 N282 F285 I301	N186-L191 PolarHBondContact O-N 3.38Å; N186-L191 VanDerWaalsContact O-N 3.08Å; L187-L191 HydrophobicContact CD1-CD2 4Å; L187-L191 WeakPolarHBondContact O-CB 3.37Å; L187-L191 PolarHBondContact O-N 3.44Å; L191-R199 PolarHBondContact O-NH2 3.1Å; L191-T204 HydrophobicContact CD2-CG2 4.06Å; L191-I242 HydrophobicContact CD2-CG1 4.35Å; L191-N282 VanDerWaalsContact CD1-ND2 3.35Å; L191-N282 WeakPolarHBondContact CD1-ND2 3.33Å; L191-F285 HydrophobicContact CD2-CE2 3.76Å; L191-F285 HydrophobicContact CD2-CZ 4.03Å; L191-I301 HydrophobicContact CB-CD1 4.04Å; L191-I301 HydrophobicContact CD2-CD1 3.77Å; L191-I301 HydrophobicContact CG-CD1 4.46Å
192	L	97.6	Very high	96.7	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	31%	0.305	C	S	.	.	I	π-helix	trans	-85.3	-30.3	-169.9	-64.1	-177	0	0	0	114.1	F79 L80 Y172 L187 I188 I242	F79-L192 HydrophobicContact CE1-CB 3.73Å; F79-L192 HydrophobicContact CE1-CD1 3.79Å; F79-L192 HydrophobicContact CE1-CG 4.42Å; F79-L192 HydrophobicContact CZ-CB 3.76Å; F79-L192 HydrophobicContact CZ-CD1 4.47Å; L80-L192 HydrophobicContact CD1-CD1 4.08Å; L80-L192 HydrophobicContact CD2-CD1 4.26Å; Y172-L192 HydrophobicContact CD1-CD2 3.77Å; Y172-L192 HydrophobicContact CD2-CB 4.24Å; Y172-L192 HydrophobicContact CD2-CD1 4.1Å; Y172-L192 HydrophobicContact CD2-CD2 3.73Å; Y172-L192 HydrophobicContact CD2-CG 4.25Å; Y172-L192 HydrophobicContact CE1-CD2 4.03Å; Y172-L192 HydrophobicContact CE2-CB 4.18Å; Y172-L192 HydrophobicContact CE2-CD2 3.98Å; Y172-L192 HydrophobicContact CG-CD1 4.26Å; Y172-L192 HydrophobicContact CG-CD2 3.59Å; Y172-L192 HydrophobicContact CG-CG 4.46Å; L187-L192 HydrophobicContact CD1-CD1 4.21Å; L187-L192 HydrophobicContact CD1-CG 4.21Å; L187-L192 HydrophobicContact CG-CD1 4.22Å; L187-L192 WeakPolarHBondContact O-CG 3.48Å; L187-L192 PolarHBondContact O-N 2.73Å; I188-L192 CarbonylContact O-C 3.48Å; I188-L192 PolarHBondContact O-N 2.99Å; L192-I242 HydrophobicContact CD2-CG2 3.73Å
193	K	96.7	Very high	96.7	Very high	112 Å²	112	66.7 Å²	66.7	49%	0.487	31%	0.305	S	S	.	.			trans	48.3	75.6	174.3	-60	-178.1	-178.1	-176.6	0	112.8	I188 K190 N195 T196	I188-K193 PolarHBondContact O-N 3.05Å; K190-K193 WeakPolarHBondContact O-CE 3.48Å; K193-N195 PolarHBondContact O-N 3.37Å; K193-T196 HydrophobicContact CB-CG2 3.9Å; K193-T196 WeakPolarHBondContact CB-OG1 3.43Å; K193-T196 HydrophobicContact CD-CG2 4.48Å; K193-T196 PolarHBondContact O-N 2.79Å; K193-T196 PolarHBondContact O-OG1 3.28Å
194	P	95.2	Very high	96.8	Very high	36 Å²	36	66.3 Å²	66.3	23%	0.234	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.8	-174.1	-24.1	28.9	0	0	0	115.5	F79 I110 I188 T196	F79-P194 HydrophobicContact CD1-CG 4.49Å; F79-P194 HydrophobicContact CD2-CB 4.46Å; F79-P194 HydrophobicContact CE1-CB 4.42Å; F79-P194 HydrophobicContact CE1-CG 3.88Å; F79-P194 HydrophobicContact CE2-CB 3.96Å; F79-P194 HydrophobicContact CE2-CG 4.29Å; F79-P194 HydrophobicContact CZ-CB 3.93Å; F79-P194 HydrophobicContact CZ-CG 3.76Å; I110-P194 HydrophobicContact CD1-CB 4.33Å; I110-P194 HydrophobicContact CD1-CG 3.61Å; I110-P194 HydrophobicContact CG1-CG 4.34Å; I188-P194 HydrophobicContact CG2-CG 3.75Å; I188-P194 WeakPolarHBondContact O-CD 2.99Å; P194-T196 PolarHBondContact O-N 3.3Å
195	N	94.1	Very high	96.8	Very high	172 Å²	172	66.2 Å²	66.2	92%	0.92	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	5.8	-179.9	-60	-24.4	0	0	0	113.6	K193	K193-N195 PolarHBondContact O-N 3.37Å
196	T	95.1	Very high	97	Very high	74 Å²	74	66.1 Å²	66.1	45%	0.454	30%	0.298	S	S	.	.	S	Bend	trans	-114.4	158.9	179	68	0	0	0	0	110.8	K193 P194 P198	K193-T196 HydrophobicContact CB-CG2 3.9Å; K193-T196 WeakPolarHBondContact CB-OG1 3.43Å; K193-T196 HydrophobicContact CD-CG2 4.48Å; K193-T196 PolarHBondContact O-N 2.79Å; K193-T196 PolarHBondContact O-OG1 3.28Å; P194-T196 PolarHBondContact O-N 3.3Å; T196-P198 WeakPolarHBondContact O-CD 3.5Å
197	K	95.4	Very high	97.1	Very high	193 Å²	193	66.4 Å²	66.4	84%	0.839	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-57.6	123.1	176.9	-174.2	176.9	-178.9	177.7	0	109.7	R199	K197-R199 PolarHBondContact O-N 2.64Å
198	P	95.2	Very high	97	Very high	49 Å²	49	68.7 Å²	68.7	32%	0.318	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-57.5	136.5	178.1	-26.6	35.1	0	0	0	111.7	K171 T196	K171-P198 HydrophobicContact CB-CB 4.33Å; K171-P198 HydrophobicContact CB-CG 4.42Å; K171-P198 HydrophobicContact CD-CB 4.27Å; K171-P198 HydrophobicContact CD-CG 3.91Å; K171-P198 HydrophobicContact CG-CG 4.12Å; T196-P198 WeakPolarHBondContact O-CD 3.5Å
199	R	97.4	Very high	97	Very high	87 Å²	87	74.8 Å²	74.8	33%	0.328	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-72	149.5	175.2	-65.7	174.1	-77.7	-167.7	-4.5	109.6	Y172 L191 K197 Y202 S244	Y172-R199 HydrophobicContact CE1-CB 4.42Å; Y172-R199 PolarHBondContact OH-N 2.94Å; L191-R199 PolarHBondContact O-NH2 3.1Å; K197-R199 PolarHBondContact O-N 2.64Å; R199-Y202 HydrophobicContact CB-CD1 4.44Å; R199-Y202 HydrophobicContact CB-CD2 4.33Å; R199-Y202 HydrophobicContact CB-CG 3.91Å; R199-Y202 VanDerWaalsContact CZ-CE1 3.48Å; R199-Y202 PolarHBondContact NH1-OH 3.33Å; R199-Y202 PolarHBondContact NH2-OH 2.85Å; R199-S244 WeakPolarHBondContact O-CB 3.35Å
200	R	97.6	Very high	97	Very high	194 Å²	194	70.6 Å²	70.6	73%	0.732	34%	0.336	S	S	*	.	S	Bend	trans	-120.4	154	175.8	-68.3	-164.8	65.9	-178.5	2.7	109.8	Y202 D246	R200-Y202 PolarHBondContact O-N 3.1Å; R200-Y202 VanDerWaalsContact O-N 3.12Å; R200-D246 IonicContact CZ-OD2 3.78Å; R200-D246 IonicContact NE-OD2 3.2Å; R200-D246 PolarHBondContact NE-OD2 3.04Å; R200-D246 IonicContact NH2-OD2 3.44Å; R200-D246 PolarHBondContact NH2-OD2 3.02Å
201	R	98.1	Very high	97	Very high	111 Å²	111	65.8 Å²	65.8	42%	0.419	32%	0.324	S	S	.	.	S	Bend	trans	47.6	38.6	-174.5	-61.2	178.7	59.7	85.8	-1.2	111.9	S244 D246 L250 L275 I277	R201-S244 PolarHBondContact N-OG 2.91Å; R201-S244 VanDerWaalsContact N-OG 3.09Å; R201-D246 PolarHBondContact N-OD1 2.84Å; R201-D246 PolarHBondContact N-OD2 2.99Å; R201-L250 HydrophobicContact CG-CD1 4.49Å; R201-L275 PolarHBondContact NH2-O 2.88Å; R201-I277 HydrophobicContact CB-CD1 4.25Å; R201-I277 HydrophobicContact CB-CG1 4.42Å; R201-I277 VanDerWaalsContact NH2-CG1 3.31Å
202	Y	98.6	Very high	97.1	Very high	14 Å²	14	65.6 Å²	65.6	6%	0.055	32%	0.324	C	S	.	.			trans	-104.4	136.3	-173.7	176.3	-105.8	0	0	0	109.8	Y172 R199 R200 T204 I242 F243 S244 F280	Y172-Y202 HydrophobicContact CE1-CD1 4.15Å; R199-Y202 HydrophobicContact CB-CD1 4.44Å; R199-Y202 HydrophobicContact CB-CD2 4.33Å; R199-Y202 HydrophobicContact CB-CG 3.91Å; R199-Y202 VanDerWaalsContact CZ-CE1 3.48Å; R199-Y202 PolarHBondContact NH1-OH 3.33Å; R199-Y202 PolarHBondContact NH2-OH 2.85Å; R200-Y202 PolarHBondContact O-N 3.1Å; R200-Y202 VanDerWaalsContact O-N 3.12Å; Y202-T204 HydrophobicContact CE1-CG2 3.57Å; Y202-T204 VanDerWaalsContact OH-CB 3.24Å; Y202-T204 WeakPolarHBondContact OH-CB 3.46Å; Y202-T204 WeakPolarHBondContact OH-CG2 3.35Å; Y202-I242 HydrophobicContact CE1-CG2 4.18Å; Y202-F243 CarbonylContact O-C 3.53Å; Y202-F243 WeakPolarHBondContact O-CA 3.44Å; Y202-F243 WeakPolarHBondContact O-CB 3.49Å; Y202-S244 PolarHBondContact N-OG 3.29Å; Y202-S244 PolarHBondContact O-N 3.01Å; Y202-F280 AromaticContact CD2-CD2 3.81Å; Y202-F280 HydrophobicContact CD2-CD2 3.81Å; Y202-F280 AromaticContact CD2-CE2 3.96Å; Y202-F280 HydrophobicContact CD2-CE2 3.96Å; Y202-F280 AromaticContact CE2-CD2 3.66Å; Y202-F280 HydrophobicContact CE2-CD2 3.66Å; Y202-F280 HydrophobicContact CE2-CE2 4.2Å; Y202-F280 HydrophobicContact CE2-CG 4.32Å
203	F	98.8	Very high	97.1	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.009	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	130.1	177.4	-159.6	-74.5	0	0	0	109.1	C236 Y241 I242 F243 V247 I251 V268 L272 I277 P279 F280	F203-C236 HydrophobicContact CE1-CB 3.89Å; F203-Y241 AromaticContact CE1-CD2 3.87Å; F203-Y241 HydrophobicContact CE1-CD2 3.87Å; F203-Y241 AromaticContact CE1-CG 3.88Å; F203-Y241 HydrophobicContact CE1-CG 3.88Å; F203-Y241 AromaticContact CE2-CD2 3.91Å; F203-Y241 HydrophobicContact CE2-CD2 3.91Å; F203-Y241 HydrophobicContact CE2-CE2 4.03Å; F203-Y241 HydrophobicContact CZ-CD1 4.31Å; F203-Y241 AromaticContact CZ-CD2 3.24Å; F203-Y241 HydrophobicContact CZ-CD2 3.24Å; F203-Y241 AromaticContact CZ-CE2 3.56Å; F203-Y241 HydrophobicContact CZ-CE2 3.56Å; F203-Y241 AromaticContact CZ-CG 3.66Å; F203-Y241 HydrophobicContact CZ-CG 3.66Å; F203-I242 CarbonylContact C-O 3.6Å; F203-I242 WeakPolarHBondContact CA-O 3.29Å; F203-F243 HydrophobicContact CD2-CB 3.49Å; F203-F243 VanDerWaalsContact CD2-CB 3.49Å; F203-F243 HydrophobicContact CD2-CG 4.18Å; F203-F243 HydrophobicContact CE2-CB 3.94Å; F203-F243 HydrophobicContact CE2-CD1 4.09Å; F203-F243 HydrophobicContact CE2-CG 4.14Å; F203-F243 HydrophobicContact CG-CB 4.19Å; F203-V247 HydrophobicContact CD2-CG1 4.14Å; F203-I251 HydrophobicContact CD2-CD1 4.39Å; F203-I251 HydrophobicContact CE2-CD1 3.99Å; F203-V268 HydrophobicContact CE2-CG1 3.83Å; F203-V268 HydrophobicContact CZ-CG1 3.65Å; F203-L272 HydrophobicContact CB-CD1 4.39Å; F203-L272 HydrophobicContact CB-CD2 4.33Å; F203-L272 HydrophobicContact CD1-CD1 3.76Å; F203-L272 HydrophobicContact CD2-CD1 3.82Å; F203-L272 HydrophobicContact CD2-CD2 3.69Å; F203-L272 HydrophobicContact CD2-CG 4.32Å; F203-L272 HydrophobicContact CE1-CD1 3.9Å; F203-L272 HydrophobicContact CE2-CD1 3.97Å; F203-L272 HydrophobicContact CE2-CD2 4.23Å; F203-L272 HydrophobicContact CG-CD1 3.71Å; F203-L272 HydrophobicContact CG-CD2 4.08Å; F203-L272 HydrophobicContact CZ-CD1 4Å; F203-I277 HydrophobicContact CB-CG2 4.24Å; F203-P279 HydrophobicContact CD1-CB 3.96Å; F203-P279 WeakPolarHBondContact O-CA 3.43Å; F203-F280 WeakPolarHBondContact O-CD2 3.42Å; F203-F280 PolarHBondContact O-N 2.89Å
204	T	98.8	Very high	97.1	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.4	-178.4	-167.3	0	0	0	0	111.8	L191 Y202 Y241 I242 F280 N282 F285	L191-T204 HydrophobicContact CD2-CG2 4.06Å; Y202-T204 HydrophobicContact CE1-CG2 3.57Å; Y202-T204 VanDerWaalsContact OH-CB 3.24Å; Y202-T204 WeakPolarHBondContact OH-CB 3.46Å; Y202-T204 WeakPolarHBondContact OH-CG2 3.35Å; T204-Y241 CarbonylContact O-C 3.13Å; T204-Y241 WeakPolarHBondContact O-CA 3.4Å; T204-Y241 WeakPolarHBondContact O-CB 3.47Å; T204-I242 HydrophobicContact CG2-CB 3.8Å; T204-I242 HydrophobicContact CG2-CG2 4.17Å; T204-I242 PolarHBondContact N-O 2.95Å; T204-I242 PolarHBondContact O-N 3.13Å; T204-F280 WeakPolarHBondContact CA-O 3.28Å; T204-F280 WeakPolarHBondContact CB-O 3.25Å; T204-F280 PolarHBondContact OG1-O 2.74Å; T204-N282 WeakPolarHBondContact OG1-CB 3.38Å; T204-F285 HydrophobicContact CG2-CE2 4.46Å
205	G	98.5	Very high	97.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-159.6	177.1	0	0	0	0	0	109	V207 C236 F280 N282	G205-V207 PolarHBondContact O-N 3.36Å; G205-C236 PolarHBondContact N-SG 3.5Å; G205-F280 PolarHBondContact N-O 3.49Å; G205-N282 PolarHBondContact O-N 3.29Å
206	Y	98.3	Very high	97.4	Very high	64 Å²	64	64.6 Å²	64.6	25%	0.251	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	102.2	167.9	-168.8	-84.6	0	0	0	109.3	I208 C236 S237 F285 H287 W288	Y206-I208 HydrophobicContact CD1-CG1 3.93Å; Y206-I208 HydrophobicContact CE1-CG1 4.13Å; Y206-C236 CarbonylContact O-C 3.57Å; Y206-C236 VanDerWaalsContact O-CA 3.26Å; Y206-C236 WeakPolarHBondContact O-CA 3.47Å; Y206-S237 PolarHBondContact O-N 2.95Å; Y206-F285 VanDerWaalsContact CD2-O 3.25Å; Y206-F285 WeakPolarHBondContact CD2-O 3.12Å; Y206-H287 AromaticContact CD1-CE1 3.55Å; Y206-H287 AromaticContact CD1-ND1 3.18Å; Y206-H287 WeakPolarHBondContact CD1-ND1 3.42Å; Y206-H287 AromaticContact CD2-ND1 3.87Å; Y206-H287 AromaticContact CE1-CE1 3.1Å; Y206-H287 WeakPolarHBondContact CE1-CE1 3.23Å; Y206-H287 AromaticContact CE1-ND1 3.27Å; Y206-H287 VanDerWaalsContact CE1-ND1 3.27Å; Y206-H287 WeakPolarHBondContact CE1-ND1 3.37Å; Y206-H287 AromaticContact CE2-ND1 3.92Å; Y206-H287 AromaticContact CG-ND1 3.5Å; Y206-H287 AromaticContact CZ-CE1 3.36Å; Y206-H287 AromaticContact CZ-ND1 3.63Å; Y206-W288 HydrophobicContact CE2-CH2 4.33Å; Y206-W288 AromaticContact CE2-CZ3 3.95Å; Y206-W288 HydrophobicContact CE2-CZ3 3.95Å
207	V	98.4	Very high	97.5	Very high	19 Å²	19	71 Å²	71	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.6	179.4	-179.8	0	0	0	0	110.6	G205 P234 F235 P279 Q281	G205-V207 PolarHBondContact O-N 3.36Å; V207-P234 HydrophobicContact CG1-CB 3.95Å; V207-F235 CarbonylContact C-O 3.51Å; V207-F235 VanDerWaalsContact CA-O 3.32Å; V207-F235 WeakPolarHBondContact CA-O 3.3Å; V207-P279 HydrophobicContact CG1-CG 4.41Å; V207-P279 HydrophobicContact CG2-CB 3.94Å; V207-P279 HydrophobicContact CG2-CG 4.18Å; V207-Q281 HydrophobicContact CB-CB 4.3Å; V207-Q281 HydrophobicContact CG2-CB 4.23Å
208	I	97.6	Very high	97.5	Very high	47 Å²	47	63.2 Å²	63.2	24%	0.241	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.2	175.2	-61.7	173	0	0	0	108.2	Y206 F235	Y206-I208 HydrophobicContact CD1-CG1 3.93Å; Y206-I208 HydrophobicContact CE1-CG1 4.13Å; I208-F235 HydrophobicContact CB-CD2 4.47Å; I208-F235 HydrophobicContact CB-CE1 4.07Å; I208-F235 HydrophobicContact CB-CE2 4Å; I208-F235 HydrophobicContact CB-CZ 3.78Å; I208-F235 HydrophobicContact CD1-CE2 4Å; I208-F235 HydrophobicContact CD1-CZ 4.31Å; I208-F235 HydrophobicContact CG2-CE1 3.92Å; I208-F235 HydrophobicContact CG2-CE2 4.3Å; I208-F235 HydrophobicContact CG2-CZ 3.62Å; I208-F235 PolarHBondContact N-O 2.89Å; I208-F235 PolarHBondContact O-N 2.89Å
209	N	96.8	Very high	97.5	Very high	128 Å²	128	67.4 Å²	67.4	68%	0.684	32%	0.319	S	S	*	.			trans	-111.1	108.8	167.8	-62.9	-74.4	0	0	0	106.9
210	G	95.1	Very high	97.5	Very high	27 Å²	27	69.1 Å²	69.1	28%	0.278	33%	0.325	S	S	.	.			trans	-159.2	179	-173.9	0	0	0	0	0	112.3	Y232	G210-Y232 WeakPolarHBondContact O-CB 3.33Å; G210-Y232 PolarHBondContact O-N 2.94Å
211	G	97.3	Very high	97.5	Very high	31 Å²	31	63.2 Å²	63.2	32%	0.32	30%	0.304	S	S	.	.			trans	-127.6	169.5	-179.6	0	0	0	0	0	112.6	I213 S230 Y232	G211-I213 PolarHBondContact O-N 3.4Å; G211-S230 WeakPolarHBondContact CA-O 3.41Å; G211-Y232 VanDerWaalsContact C-CE2 3.5Å
212	P	97.8	Very high	97.5	Very high	16 Å²	16	58 Å²	58	10%	0.104	28%	0.284	C	S	.	.			trans	-60	130.5	177.2	22	-33.2	0	0	0	113	R214 M222 Y227 D229 S230 Y232	P212-R214 VanDerWaalsContact CB-CZ 3.47Å; P212-M222 HydrophobicContact CB-CB 3.61Å; P212-M222 HydrophobicContact CB-CG 3.84Å; P212-Y227 HydrophobicContact CG-CD1 4.14Å; P212-D229 WeakPolarHBondContact CG-O 3.15Å; P212-S230 WeakPolarHBondContact CD-O 3.25Å; P212-Y232 VanDerWaalsContact CA-OH 3.27Å; P212-Y232 WeakPolarHBondContact CA-OH 3.39Å; P212-Y232 HydrophobicContact CB-CE1 3.89Å; P212-Y232 HydrophobicContact CB-CE2 4.33Å; P212-Y232 WeakPolarHBondContact CB-OH 3.46Å; P212-Y232 HydrophobicContact CG-CE1 4.2Å
213	I	97.9	Very high	97.4	Very high	68 Å²	68	59 Å²	59	35%	0.349	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-76.6	127.6	168.6	-59.3	-175.6	0	0	0	108.3	G211 D215 W220 Y221 M222	G211-I213 PolarHBondContact O-N 3.4Å; I213-D215 HydrophobicContact CG2-CB 4.32Å; I213-W220 HydrophobicContact CD1-CB 4.14Å; I213-W220 HydrophobicContact CD1-CE3 3.89Å; I213-Y221 WeakPolarHBondContact O-CA 3.41Å; I213-M222 PolarHBondContact O-N 3.43Å
214	R	97.4	Very high	97.3	Very high	60 Å²	60	66.1 Å²	66.1	23%	0.226	32%	0.319	C	S	.	.			trans	-103.6	-0.9	-176.4	-52.4	-56.2	-171.3	170.3	6.6	114	P212 V216 Y221 M222 P223 Y227 D229	P212-R214 VanDerWaalsContact CB-CZ 3.47Å; R214-V216 PolarHBondContact O-N 2.79Å; R214-Y221 WeakPolarHBondContact O-CE2 3.38Å; R214-M222 VanDerWaalsContact CD-O 3.24Å; R214-M222 WeakPolarHBondContact CD-O 3.4Å; R214-M222 PolarHBondContact NH1-O 3.49Å; R214-P223 PolarHBondContact NH1-O 3.43Å; R214-P223 VanDerWaalsContact NH1-O 3.1Å; R214-Y227 VanDerWaalsContact CZ-O 3.31Å; R214-Y227 PolarHBondContact NH1-O 2.88Å; R214-Y227 PolarHBondContact NH2-O 3.28Å; R214-D229 PolarHBondContact NH2-O 2.73Å
215	D	97.8	Very high	97.2	Very high	69 Å²	69	73 Å²	73	37%	0.369	36%	0.356	S	S	.	.			trans	-74.3	115.7	170	-174.3	-14.7	0	0	0	109.3	I213 R217 S218 Y221	I213-D215 HydrophobicContact CG2-CB 4.32Å; D215-R217 PolarHBondContact O-N 3.15Å; D215-R217 VanDerWaalsContact O-N 3.14Å; D215-R217 WeakPolarHBondContact OD1-CB 3.21Å; D215-R217 PolarHBondContact OD1-N 3.17Å; D215-R217 IonicContact OD1-NE 3.15Å; D215-R217 PolarHBondContact OD1-NE 2.91Å; D215-R217 IonicContact OD2-CZ 3.12Å; D215-R217 IonicContact OD2-NE 2.7Å; D215-R217 IonicContact OD2-NH2 2.97Å; D215-R217 PolarHBondContact OD2-NH2 2.76Å; D215-S218 VanDerWaalsContact O-CB 3.3Å; D215-S218 WeakPolarHBondContact O-CB 3.23Å; D215-S218 PolarHBondContact O-N 3.23Å; D215-Y221 WeakPolarHBondContact O-CB 3.34Å
216	V	96.8	Very high	97	Very high	103 Å²	103	74.9 Å²	74.9	62%	0.624	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.1	179.9	-62.6	0	0	0	0	113.9	R214 S218 Y221	R214-V216 PolarHBondContact O-N 2.79Å; V216-S218 VanDerWaalsContact C-N 3.35Å; V216-Y221 HydrophobicContact CG1-CD1 4.45Å; V216-Y221 HydrophobicContact CG1-CD2 4.26Å; V216-Y221 HydrophobicContact CG1-CE1 3.99Å; V216-Y221 HydrophobicContact CG1-CE2 3.8Å
217	R	97	Very high	97	Very high	208 Å²	208	72.6 Å²	72.6	79%	0.785	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.9	177.4	-59.8	174.6	-63.5	176.2	5.5	112.7	D215	D215-R217 PolarHBondContact O-N 3.15Å; D215-R217 VanDerWaalsContact O-N 3.14Å; D215-R217 WeakPolarHBondContact OD1-CB 3.21Å; D215-R217 PolarHBondContact OD1-N 3.17Å; D215-R217 IonicContact OD1-NE 3.15Å; D215-R217 PolarHBondContact OD1-NE 2.91Å; D215-R217 IonicContact OD2-CZ 3.12Å; D215-R217 IonicContact OD2-NE 2.7Å; D215-R217 IonicContact OD2-NH2 2.97Å; D215-R217 PolarHBondContact OD2-NH2 2.76Å
218	S	96.9	Very high	96.9	Very high	30 Å²	30	76 Å²	76	21%	0.21	38%	0.379	C	S	.	.	S	Bend	trans	-74.2	134.9	177	-177.7	0	0	0	0	110.2	D215 V216 W220 Y221	D215-S218 VanDerWaalsContact O-CB 3.3Å; D215-S218 WeakPolarHBondContact O-CB 3.23Å; D215-S218 PolarHBondContact O-N 3.23Å; V216-S218 VanDerWaalsContact C-N 3.35Å; S218-W220 PolarHBondContact O-N 2.97Å; S218-W220 PolarHBondContact OG-N 3.36Å; S218-Y221 WeakPolarHBondContact O-CB 3.42Å; S218-Y221 PolarHBondContact O-N 3.44Å
219	K	94.9	Very high	96.8	Very high	136 Å²	136	78 Å²	78	59%	0.591	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16	169.4	68.5	175.4	-175.1	174.9	0	113.5
220	W	96.4	Very high	96.9	Very high	123 Å²	123	76.1 Å²	76.1	47%	0.466	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	20.2	177.2	-53.4	-49.1	0	0	0	112.7	Y149 I213 S218 M222	Y149-W220 PolarHBondContact OH-NE1 3.4Å; I213-W220 HydrophobicContact CD1-CB 4.14Å; I213-W220 HydrophobicContact CD1-CE3 3.89Å; S218-W220 PolarHBondContact O-N 2.97Å; S218-W220 PolarHBondContact OG-N 3.36Å; W220-M222 PolarHBondContact O-N 2.6Å
221	Y	97.6	Very high	97	Very high	71 Å²	71	80.2 Å²	80.2	28%	0.278	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-57.6	130.6	177.2	171.3	-120.9	0	0	0	111.6	I213 R214 D215 V216 S218 P223 H262	I213-Y221 WeakPolarHBondContact O-CA 3.41Å; R214-Y221 WeakPolarHBondContact O-CE2 3.38Å; D215-Y221 WeakPolarHBondContact O-CB 3.34Å; V216-Y221 HydrophobicContact CG1-CD1 4.45Å; V216-Y221 HydrophobicContact CG1-CD2 4.26Å; V216-Y221 HydrophobicContact CG1-CE1 3.99Å; V216-Y221 HydrophobicContact CG1-CE2 3.8Å; S218-Y221 WeakPolarHBondContact O-CB 3.42Å; S218-Y221 PolarHBondContact O-N 3.44Å; Y221-P223 HydrophobicContact CD1-CG 4.33Å; Y221-P223 HydrophobicContact CE1-CB 4.31Å; Y221-P223 HydrophobicContact CE1-CG 3.62Å; Y221-H262 PolarHBondContact O-CE1 3.25Å; Y221-H262 PolarHBondContact O-NE2 3.18Å
222	M	97.8	Very high	97	Very high	0 Å²	0	79.7 Å²	79.7	0%	0	39%	0.392	C	S	.	.			trans	-122.9	114.5	174	-177.8	62.5	63.5	0	0	109.8	P212 I213 R214 W220 L226 Y227 Y232 L261 L263	P212-M222 HydrophobicContact CB-CB 3.61Å; P212-M222 HydrophobicContact CB-CG 3.84Å; I213-M222 PolarHBondContact O-N 3.43Å; R214-M222 VanDerWaalsContact CD-O 3.24Å; R214-M222 WeakPolarHBondContact CD-O 3.4Å; R214-M222 PolarHBondContact NH1-O 3.49Å; W220-M222 PolarHBondContact O-N 2.6Å; M222-L226 HydrophobicContact SD-CB 4.3Å; M222-L226 HydrophobicContact SD-CD2 3.73Å; M222-L226 HydrophobicContact SD-CG 4Å; M222-Y227 HydrophobicContact CG-CG 4.49Å; M222-Y232 WeakPolarHBondContact CB-OH 3.32Å; M222-Y232 HydrophobicContact CG-CE1 4.38Å; M222-Y232 WeakPolarHBondContact CG-OH 3.44Å; M222-L261 HydrophobicContact CE-CB 4.24Å; M222-L261 HydrophobicContact CE-CD1 4.03Å; M222-L261 HydrophobicContact CE-CD2 4.28Å; M222-L261 HydrophobicContact CE-CG 4.44Å; M222-L261 HydrophobicContact SD-CD2 4.08Å; M222-L263 HydrophobicContact CE-CB 4.4Å; M222-L263 HydrophobicContact CE-CD1 3.8Å; M222-L263 HydrophobicContact CE-CG 3.99Å
223	P	96.8	Very high	97	Very high	36 Å²	36	79.2 Å²	79.2	23%	0.234	39%	0.388	C	S	.	.			trans	-61.9	147	176.7	-19.6	28.4	0	0	0	113	R214 Y221 D225 L226 Y227	R214-P223 PolarHBondContact NH1-O 3.43Å; R214-P223 VanDerWaalsContact NH1-O 3.1Å; Y221-P223 HydrophobicContact CD1-CG 4.33Å; Y221-P223 HydrophobicContact CE1-CB 4.31Å; Y221-P223 HydrophobicContact CE1-CG 3.62Å; P223-D225 VanDerWaalsContact C-N 3.35Å; P223-L226 HydrophobicContact CB-CB 4.08Å; P223-L226 HydrophobicContact CG-CB 4.28Å; P223-L226 PolarHBondContact O-N 3.46Å; P223-Y227 PolarHBondContact O-N 2.89Å
224	R	97.1	Very high	97	Very high	152 Å²	152	78.7 Å²	78.7	57%	0.574	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-37.9	175.9	-71.5	-173.8	-175.3	-83.4	3	112.4	L226 Y227 P228	R224-L226 PolarHBondContact O-N 3.25Å; R224-Y227 CarbonylContact O-C 3.58Å; R224-Y227 PolarHBondContact O-N 2.81Å; R224-P228 VanDerWaalsContact O-CA 3.24Å; R224-P228 WeakPolarHBondContact O-CA 3.29Å; R224-P228 VanDerWaalsContact O-N 3.1Å
225	D	96.2	Very high	97.1	Very high	145 Å²	145	76.5 Å²	76.5	78%	0.775	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.1	178.9	-55.5	-25.9	0	0	0	112.7	P223 R259	P223-D225 VanDerWaalsContact C-N 3.35Å; D225-R259 PolarHBondContact O-NH1 3.29Å; D225-R259 PolarHBondContact O-NH2 3.29Å
226	L	95.3	Very high	97.1	Very high	40 Å²	40	73.3 Å²	73.3	21%	0.209	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-45.5	175.2	-174.4	57.1	0	0	0	111.2	M222 P223 R224 R259 L261	M222-L226 HydrophobicContact SD-CB 4.3Å; M222-L226 HydrophobicContact SD-CD2 3.73Å; M222-L226 HydrophobicContact SD-CG 4Å; P223-L226 HydrophobicContact CB-CB 4.08Å; P223-L226 HydrophobicContact CG-CB 4.28Å; P223-L226 PolarHBondContact O-N 3.46Å; R224-L226 PolarHBondContact O-N 3.25Å; L226-R259 HydrophobicContact CD1-CG 4.36Å; L226-L261 HydrophobicContact CD1-CD2 3.89Å; L226-L261 HydrophobicContact CD2-CD2 3.87Å; L226-L261 HydrophobicContact CG-CD2 3.56Å
227	Y	97.1	Very high	97.2	Very high	15 Å²	15	68.9 Å²	68.9	6%	0.059	34%	0.338	C	S	.	.			trans	-137.2	100.4	177.6	-165.8	-88.5	0	0	0	110	P212 R214 M222 P223 R224 D229 N231 Y232 L261 L270	P212-Y227 HydrophobicContact CG-CD1 4.14Å; R214-Y227 VanDerWaalsContact CZ-O 3.31Å; R214-Y227 PolarHBondContact NH1-O 2.88Å; R214-Y227 PolarHBondContact NH2-O 3.28Å; M222-Y227 HydrophobicContact CG-CG 4.49Å; P223-Y227 PolarHBondContact O-N 2.89Å; R224-Y227 CarbonylContact O-C 3.58Å; R224-Y227 PolarHBondContact O-N 2.81Å; Y227-D229 HydrophobicContact CD1-CB 4.22Å; Y227-D229 WeakPolarHBondContact CD1-O 3.31Å; Y227-D229 HydrophobicContact CE1-CB 3.58Å; Y227-N231 WeakPolarHBondContact CE1-O 3.46Å; Y227-N231 PolarHBondContact OH-O 3.16Å; Y227-Y232 HydrophobicContact CD1-CD1 4.02Å; Y227-Y232 AromaticContact CD1-CE1 3.76Å; Y227-Y232 HydrophobicContact CD1-CE1 3.76Å; Y227-Y232 HydrophobicContact CD2-CE1 4.41Å; Y227-Y232 AromaticContact CE1-CD1 3.54Å; Y227-Y232 HydrophobicContact CE1-CD1 3.54Å; Y227-Y232 AromaticContact CE1-CE1 3.8Å; Y227-Y232 HydrophobicContact CE1-CE1 3.8Å; Y227-Y232 HydrophobicContact CE2-CD1 4.18Å; Y227-Y232 HydrophobicContact CE2-CE1 4.48Å; Y227-Y232 HydrophobicContact CG-CD1 4.49Å; Y227-Y232 HydrophobicContact CG-CE1 4.07Å; Y227-Y232 AromaticContact CZ-CD1 3.66Å; Y227-L261 HydrophobicContact CD2-CD1 4.08Å; Y227-L270 HydrophobicContact CD2-CD1 4.44Å; Y227-L270 HydrophobicContact CE2-CD1 4.04Å; Y227-L270 HydrophobicContact CE2-CD2 3.82Å
228	P	96.7	Very high	97	Very high	91 Å²	91	59.5 Å²	59.5	59%	0.591	31%	0.306	S	S	*	.			trans	-75.7	-29.9	-172.6	27.4	-33.8	0	0	0	113.1	R224	R224-P228 VanDerWaalsContact O-CA 3.24Å; R224-P228 WeakPolarHBondContact O-CA 3.29Å; R224-P228 VanDerWaalsContact O-N 3.1Å
229	D	97	Very high	97	Very high	88 Å²	88	58.6 Å²	58.6	47%	0.471	30%	0.299	S	S	.	.	S	Bend	trans	-66.2	154.3	-174.4	-59.9	-24.3	0	0	0	112.6	P212 R214 Y227	P212-D229 WeakPolarHBondContact CG-O 3.15Å; R214-D229 PolarHBondContact NH2-O 2.73Å; Y227-D229 HydrophobicContact CD1-CB 4.22Å; Y227-D229 WeakPolarHBondContact CD1-O 3.31Å; Y227-D229 HydrophobicContact CE1-CB 3.58Å
230	S	97.1	Very high	97.1	Very high	90 Å²	90	52.1 Å²	52.1	63%	0.629	27%	0.271	S	S	*	.	S	Bend	trans	-80.9	-16.8	-179.6	-48.2	0	0	0	0	113.7	G211 P212	G211-S230 WeakPolarHBondContact CA-O 3.41Å; P212-S230 WeakPolarHBondContact CD-O 3.25Å
231	N	97.9	Very high	97.2	Very high	112 Å²	112	46.3 Å²	46.3	60%	0.599	25%	0.249	S	C	*	.			trans	-133.2	141.2	-176	-67.2	-55	0	0	0	110.7	Y227	Y227-N231 WeakPolarHBondContact CE1-O 3.46Å; Y227-N231 PolarHBondContact OH-O 3.16Å
232	Y	98.2	Very high	97.3	Very high	21 Å²	21	42.9 Å²	42.9	8%	0.082	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-78.8	155.8	165.6	-60.6	-45.1	0	0	0	110.2	G210 G211 P212 M222 Y227 F235 V266	G210-Y232 WeakPolarHBondContact O-CB 3.33Å; G210-Y232 PolarHBondContact O-N 2.94Å; G211-Y232 VanDerWaalsContact C-CE2 3.5Å; P212-Y232 VanDerWaalsContact CA-OH 3.27Å; P212-Y232 WeakPolarHBondContact CA-OH 3.39Å; P212-Y232 HydrophobicContact CB-CE1 3.89Å; P212-Y232 HydrophobicContact CB-CE2 4.33Å; P212-Y232 WeakPolarHBondContact CB-OH 3.46Å; P212-Y232 HydrophobicContact CG-CE1 4.2Å; M222-Y232 WeakPolarHBondContact CB-OH 3.32Å; M222-Y232 HydrophobicContact CG-CE1 4.38Å; M222-Y232 WeakPolarHBondContact CG-OH 3.44Å; Y227-Y232 HydrophobicContact CD1-CD1 4.02Å; Y227-Y232 AromaticContact CD1-CE1 3.76Å; Y227-Y232 HydrophobicContact CD1-CE1 3.76Å; Y227-Y232 HydrophobicContact CD2-CE1 4.41Å; Y227-Y232 AromaticContact CE1-CD1 3.54Å; Y227-Y232 HydrophobicContact CE1-CD1 3.54Å; Y227-Y232 AromaticContact CE1-CE1 3.8Å; Y227-Y232 HydrophobicContact CE1-CE1 3.8Å; Y227-Y232 HydrophobicContact CE2-CD1 4.18Å; Y227-Y232 HydrophobicContact CE2-CE1 4.48Å; Y227-Y232 HydrophobicContact CG-CD1 4.49Å; Y227-Y232 HydrophobicContact CG-CE1 4.07Å; Y227-Y232 AromaticContact CZ-CD1 3.66Å; Y232-F235 AromaticContact CD2-CE1 3.97Å; Y232-F235 HydrophobicContact CD2-CE1 3.97Å; Y232-V266 HydrophobicContact CD1-CG1 3.48Å; Y232-V266 VanDerWaalsContact CD1-CG1 3.48Å; Y232-V266 HydrophobicContact CD2-CG1 3.98Å; Y232-V266 HydrophobicContact CD2-CG2 3.84Å; Y232-V266 HydrophobicContact CE1-CG1 3.64Å; Y232-V266 HydrophobicContact CE2-CG1 4.09Å; Y232-V266 HydrophobicContact CE2-CG2 3.76Å; Y232-V266 HydrophobicContact CG-CG1 3.65Å; Y232-V266 HydrophobicContact CG-CG2 4.34Å
233	P	97.8	Very high	97.3	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.032	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-60	158.2	159.6	28.1	-34.1	0	0	0	110.6	F235 L270 R273	P233-F235 WeakPolarHBondContact O-CD1 3.49Å; P233-F235 PolarHBondContact O-N 2.85Å; P233-L270 HydrophobicContact CG-CD2 3.66Å; P233-L270 HydrophobicContact CG-CG 4.03Å; P233-R273 HydrophobicContact CB-CB 3.9Å; P233-R273 HydrophobicContact CB-CG 4.14Å; P233-R273 HydrophobicContact CG-CB 4.29Å
234	P	98.1	Very high	97.4	Very high	57 Å²	57	41.2 Å²	41.2	37%	0.37	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-53.6	130.6	170.6	-23.6	33.2	0	0	0	111	V207 P279	V207-P234 HydrophobicContact CG1-CB 3.95Å; P234-P279 HydrophobicContact CB-CG 4.14Å
235	F	98.4	Very high	97.5	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.3	-179.5	65.3	-83.9	0	0	0	110	V207 I208 Y232 P233 D265 V266	V207-F235 CarbonylContact C-O 3.51Å; V207-F235 VanDerWaalsContact CA-O 3.32Å; V207-F235 WeakPolarHBondContact CA-O 3.3Å; I208-F235 HydrophobicContact CB-CD2 4.47Å; I208-F235 HydrophobicContact CB-CE1 4.07Å; I208-F235 HydrophobicContact CB-CE2 4Å; I208-F235 HydrophobicContact CB-CZ 3.78Å; I208-F235 HydrophobicContact CD1-CE2 4Å; I208-F235 HydrophobicContact CD1-CZ 4.31Å; I208-F235 HydrophobicContact CG2-CE1 3.92Å; I208-F235 HydrophobicContact CG2-CE2 4.3Å; I208-F235 HydrophobicContact CG2-CZ 3.62Å; I208-F235 PolarHBondContact N-O 2.89Å; I208-F235 PolarHBondContact O-N 2.89Å; Y232-F235 AromaticContact CD2-CE1 3.97Å; Y232-F235 HydrophobicContact CD2-CE1 3.97Å; P233-F235 WeakPolarHBondContact O-CD1 3.49Å; P233-F235 PolarHBondContact O-N 2.85Å; F235-D265 WeakPolarHBondContact CB-O 3.49Å; F235-D265 HydrophobicContact CD2-CB 3.94Å; F235-D265 HydrophobicContact CE2-CB 4.36Å; F235-V266 HydrophobicContact CD1-CG2 4.37Å; F235-V266 HydrophobicContact CD2-CG2 4.29Å; F235-V266 HydrophobicContact CE1-CG2 4.1Å; F235-V266 HydrophobicContact CE2-CG2 4Å; F235-V266 HydrophobicContact CG-CG2 4.47Å; F235-V266 HydrophobicContact CZ-CG2 3.9Å
236	C	98.4	Very high	97.6	Very high	3 Å²	3	29 Å²	29	2%	0.02	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.9	172.3	-66	0	0	0	0	110.2	F203 G205 Y206 G238 Y241 D265	F203-C236 HydrophobicContact CE1-CB 3.89Å; G205-C236 PolarHBondContact N-SG 3.5Å; Y206-C236 CarbonylContact O-C 3.57Å; Y206-C236 VanDerWaalsContact O-CA 3.26Å; Y206-C236 WeakPolarHBondContact O-CA 3.47Å; C236-G238 PolarHBondContact O-N 3.43Å; C236-Y241 HydrophobicContact CB-CD1 4.33Å; C236-Y241 HydrophobicContact CB-CG 4.39Å; C236-D265 WeakPolarHBondContact O-CB 3.38Å
237	S	97.5	Very high	97.7	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.063	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.9	135.6	172.5	177.1	0	0	0	0	112.3	Y206 T239 G240 H287	Y206-S237 PolarHBondContact O-N 2.95Å; S237-T239 PolarHBondContact O-N 3.45Å; S237-T239 VanDerWaalsContact O-N 3.09Å; S237-T239 PolarHBondContact OG-N 3.43Å; S237-T239 PolarHBondContact OG-OG1 3.01Å; S237-G240 PolarHBondContact O-N 2.73Å; S237-H287 VanDerWaalsContact OG-CB 3.23Å; S237-H287 WeakPolarHBondContact OG-CB 3.42Å
238	G	94.6	Very high	97.8	Very high	11 Å²	11	26.4 Å²	26.4	11%	0.113	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-19.5	176.7	0	0	0	0	0	115.1	K175 C236 G240 D265	K175-G238 PolarHBondContact NZ-O 3.5Å; C236-G238 PolarHBondContact O-N 3.43Å; G238-G240 PolarHBondContact O-N 3.43Å; G238-G240 VanDerWaalsContact O-N 3.1Å; G238-D265 PolarHBondContact N-OD2 2.8Å
239	T	95.4	Very high	97.9	Very high	11 Å²	11	26 Å²	26	7%	0.067	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-13.8	178.2	59.4	0	0	0	0	114.2	T176 I180 S237 H287 H304	T176-T239 PolarHBondContact OG1-O 3.31Å; I180-T239 HydrophobicContact CD1-CG2 4.43Å; I180-T239 WeakPolarHBondContact CD1-O 3.23Å; I180-T239 WeakPolarHBondContact CG1-O 3.36Å; S237-T239 PolarHBondContact O-N 3.45Å; S237-T239 VanDerWaalsContact O-N 3.09Å; S237-T239 PolarHBondContact OG-N 3.43Å; S237-T239 PolarHBondContact OG-OG1 3.01Å; T239-H287 HydrophobicContact CG2-CB 3.93Å; T239-H287 WeakPolarHBondContact OG1-CB 3.46Å; T239-H304 HydrophobicContact CG2-CB 4.35Å
240	G	97.8	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.3	131.2	174.2	0	0	0	0	0	113.7	K175 S237 G238 F285	K175-G240 VanDerWaalsContact O-CA 3.29Å; K175-G240 WeakPolarHBondContact O-CA 3.49Å; S237-G240 PolarHBondContact O-N 2.73Å; G238-G240 PolarHBondContact O-N 3.43Å; G238-G240 VanDerWaalsContact O-N 3.1Å; G240-F285 WeakPolarHBondContact O-CD1 3.3Å
241	Y	98.8	Very high	98	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.2	173.5	54.3	-104.8	0	0	0	111.9	T156 M160 M174 K175 F203 T204 C236 F243 E264	T156-Y241 WeakPolarHBondContact CG2-OH 3.24Å; M160-Y241 HydrophobicContact CE-CE2 4.36Å; M174-Y241 WeakPolarHBondContact CA-O 3.38Å; K175-Y241 HydrophobicContact CB-CD2 4.09Å; K175-Y241 HydrophobicContact CB-CE1 4.26Å; K175-Y241 HydrophobicContact CB-CE2 3.5Å; K175-Y241 VanDerWaalsContact CB-CE2 3.5Å; K175-Y241 HydrophobicContact CD-CD1 4.47Å; K175-Y241 HydrophobicContact CD-CE1 3.69Å; K175-Y241 HydrophobicContact CD-CE2 4.47Å; K175-Y241 HydrophobicContact CG-CE1 4.4Å; K175-Y241 HydrophobicContact CG-CE2 4.31Å; K175-Y241 PolarHBondContact N-O 2.97Å; K175-Y241 PolarHBondContact O-N 3.19Å; F203-Y241 AromaticContact CE1-CD2 3.87Å; F203-Y241 HydrophobicContact CE1-CD2 3.87Å; F203-Y241 AromaticContact CE1-CG 3.88Å; F203-Y241 HydrophobicContact CE1-CG 3.88Å; F203-Y241 AromaticContact CE2-CD2 3.91Å; F203-Y241 HydrophobicContact CE2-CD2 3.91Å; F203-Y241 HydrophobicContact CE2-CE2 4.03Å; F203-Y241 HydrophobicContact CZ-CD1 4.31Å; F203-Y241 AromaticContact CZ-CD2 3.24Å; F203-Y241 HydrophobicContact CZ-CD2 3.24Å; F203-Y241 AromaticContact CZ-CE2 3.56Å; F203-Y241 HydrophobicContact CZ-CE2 3.56Å; F203-Y241 AromaticContact CZ-CG 3.66Å; F203-Y241 HydrophobicContact CZ-CG 3.66Å; T204-Y241 CarbonylContact O-C 3.13Å; T204-Y241 WeakPolarHBondContact O-CA 3.4Å; T204-Y241 WeakPolarHBondContact O-CB 3.47Å; C236-Y241 HydrophobicContact CB-CD1 4.33Å; C236-Y241 HydrophobicContact CB-CG 4.39Å; Y241-F243 AromaticContact CD2-CD1 3.79Å; Y241-F243 HydrophobicContact CD2-CD1 3.79Å; Y241-F243 AromaticContact CD2-CE1 3.98Å; Y241-F243 HydrophobicContact CD2-CE1 3.98Å; Y241-F243 AromaticContact CE2-CD1 3.88Å; Y241-F243 HydrophobicContact CE2-CD1 3.88Å; Y241-F243 AromaticContact CE2-CE1 3.66Å; Y241-F243 HydrophobicContact CE2-CE1 3.66Å; Y241-E264 PolarHBondContact OH-OE1 2.97Å
242	I	98.8	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.9	-178.6	-70.2	-74.3	0	0	0	109.6	L80 Y172 V173 M174 L187 L191 L192 Y202 F203 T204 F285	L80-I242 HydrophobicContact CD1-CD1 4.26Å; Y172-I242 HydrophobicContact CD1-CG2 4.4Å; V173-I242 WeakPolarHBondContact O-CA 3.46Å; M174-I242 HydrophobicContact CB-CD1 3.43Å; M174-I242 VanDerWaalsContact CB-CD1 3.43Å; M174-I242 HydrophobicContact CG-CD1 3.75Å; M174-I242 HydrophobicContact SD-CD1 4.09Å; L187-I242 HydrophobicContact CD1-CD1 3.63Å; L187-I242 HydrophobicContact CD1-CG1 3.79Å; L187-I242 HydrophobicContact CD2-CD1 4.34Å; L191-I242 HydrophobicContact CD2-CG1 4.35Å; L192-I242 HydrophobicContact CD2-CG2 3.73Å; Y202-I242 HydrophobicContact CE1-CG2 4.18Å; F203-I242 CarbonylContact C-O 3.6Å; F203-I242 WeakPolarHBondContact CA-O 3.29Å; T204-I242 HydrophobicContact CG2-CB 3.8Å; T204-I242 HydrophobicContact CG2-CG2 4.17Å; T204-I242 PolarHBondContact N-O 2.95Å; T204-I242 PolarHBondContact O-N 3.13Å; I242-F285 HydrophobicContact CB-CZ 4.45Å; I242-F285 HydrophobicContact CG1-CE1 4.34Å; I242-F285 HydrophobicContact CG1-CZ 3.73Å
243	F	98.8	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.3	174.3	54.1	-76.9	0	0	0	111.7	M160 Y172 V173 K175 Y202 F203 Y241 V247 A248	M160-F243 HydrophobicContact CE-CE1 4.49Å; M160-F243 HydrophobicContact CE-CZ 4.16Å; M160-F243 HydrophobicContact CG-CZ 4.29Å; Y172-F243 CarbonylContact C-O 3.59Å; Y172-F243 WeakPolarHBondContact CA-O 3.37Å; V173-F243 HydrophobicContact CB-CD1 4.22Å; V173-F243 HydrophobicContact CB-CD2 3.99Å; V173-F243 HydrophobicContact CB-CE1 3.8Å; V173-F243 HydrophobicContact CB-CE2 3.57Å; V173-F243 HydrophobicContact CB-CG 4.32Å; V173-F243 HydrophobicContact CB-CZ 3.48Å; V173-F243 VanDerWaalsContact CB-CZ 3.48Å; V173-F243 HydrophobicContact CG1-CE1 3.73Å; V173-F243 HydrophobicContact CG1-CE2 3.88Å; V173-F243 HydrophobicContact CG1-CZ 3.32Å; V173-F243 HydrophobicContact CG2-CD2 4.34Å; V173-F243 HydrophobicContact CG2-CE2 3.89Å; V173-F243 HydrophobicContact CG2-CZ 4.22Å; V173-F243 PolarHBondContact N-O 3.25Å; V173-F243 PolarHBondContact O-N 3.32Å; K175-F243 HydrophobicContact CB-CE1 4.4Å; Y202-F243 CarbonylContact O-C 3.53Å; Y202-F243 WeakPolarHBondContact O-CA 3.44Å; Y202-F243 WeakPolarHBondContact O-CB 3.49Å; F203-F243 HydrophobicContact CD2-CB 3.49Å; F203-F243 VanDerWaalsContact CD2-CB 3.49Å; F203-F243 HydrophobicContact CD2-CG 4.18Å; F203-F243 HydrophobicContact CE2-CB 3.94Å; F203-F243 HydrophobicContact CE2-CD1 4.09Å; F203-F243 HydrophobicContact CE2-CG 4.14Å; F203-F243 HydrophobicContact CG-CB 4.19Å; Y241-F243 AromaticContact CD2-CD1 3.79Å; Y241-F243 HydrophobicContact CD2-CD1 3.79Å; Y241-F243 AromaticContact CD2-CE1 3.98Å; Y241-F243 HydrophobicContact CD2-CE1 3.98Å; Y241-F243 AromaticContact CE2-CD1 3.88Å; Y241-F243 HydrophobicContact CE2-CD1 3.88Å; Y241-F243 AromaticContact CE2-CE1 3.66Å; Y241-F243 HydrophobicContact CE2-CE1 3.66Å; F243-V247 HydrophobicContact CB-CB 4.25Å; F243-V247 HydrophobicContact CB-CG1 4.34Å; F243-V247 HydrophobicContact CD2-CB 4.09Å; F243-V247 HydrophobicContact CD2-CG1 4.37Å; F243-A248 HydrophobicContact CE2-CB 3.8Å
244	S	98.7	Very high	98	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	144.2	170.7	56.3	0	0	0	0	109.8	K171 R199 R201 Y202 D246 V247	K171-S244 WeakPolarHBondContact O-CA 3.27Å; R199-S244 WeakPolarHBondContact O-CB 3.35Å; R201-S244 PolarHBondContact N-OG 2.91Å; R201-S244 VanDerWaalsContact N-OG 3.09Å; Y202-S244 PolarHBondContact N-OG 3.29Å; Y202-S244 PolarHBondContact O-N 3.01Å; S244-D246 WeakPolarHBondContact CB-OD1 3.37Å; S244-D246 PolarHBondContact O-N 2.97Å; S244-D246 VanDerWaalsContact O-N 3.09Å; S244-D246 PolarHBondContact OG-OD1 3.09Å; S244-V247 VanDerWaalsContact O-CB 3.3Å; S244-V247 WeakPolarHBondContact O-CB 3.35Å; S244-V247 PolarHBondContact O-N 3Å; S244-V247 WeakPolarHBondContact OG-CG2 3.32Å
245	A	98.1	Very high	98	Very high	5 Å²	5	19.2 Å²	19.2	4%	0.041	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-28	-170.6	0	0	0	0	0	113.9	A170 K171 V173 V247 A248	A170-A245 HydrophobicContact CB-CB 4.11Å; A170-A245 WeakPolarHBondContact O-CB 3.23Å; K171-A245 PolarHBondContact O-N 3.28Å; K171-A245 VanDerWaalsContact O-N 3.11Å; V173-A245 HydrophobicContact CG2-CB 4.19Å; A245-V247 PolarHBondContact O-N 3.12Å; A245-A248 VanDerWaalsContact O-CB 3.23Å; A245-A248 WeakPolarHBondContact O-CB 3.24Å; A245-A248 PolarHBondContact O-N 3.46Å; A245-A248 VanDerWaalsContact O-N 3.07Å
246	D	98.3	Very high	97.9	Very high	36 Å²	36	20.1 Å²	20.1	19%	0.193	10%	0.102	C	C	.	.	H	α-helix	trans	-62.2	-24	174.2	65.3	-33	0	0	0	113.2	R200 R201 S244 A248 L250	R200-D246 IonicContact CZ-OD2 3.78Å; R200-D246 IonicContact NE-OD2 3.2Å; R200-D246 PolarHBondContact NE-OD2 3.04Å; R200-D246 IonicContact NH2-OD2 3.44Å; R200-D246 PolarHBondContact NH2-OD2 3.02Å; R201-D246 PolarHBondContact N-OD1 2.84Å; R201-D246 PolarHBondContact N-OD2 2.99Å; S244-D246 WeakPolarHBondContact CB-OD1 3.37Å; S244-D246 PolarHBondContact O-N 2.97Å; S244-D246 VanDerWaalsContact O-N 3.09Å; S244-D246 PolarHBondContact OG-OD1 3.09Å; D246-A248 VanDerWaalsContact C-N 3.34Å; D246-L250 WeakPolarHBondContact O-CG 3.37Å; D246-L250 PolarHBondContact O-N 2.89Å
247	V	98.8	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-74.2	-24.5	176.3	179.8	0	0	0	0	112.1	F203 F243 S244 A245 E249 L250 I251 L272 I277	F203-V247 HydrophobicContact CD2-CG1 4.14Å; F243-V247 HydrophobicContact CB-CB 4.25Å; F243-V247 HydrophobicContact CB-CG1 4.34Å; F243-V247 HydrophobicContact CD2-CB 4.09Å; F243-V247 HydrophobicContact CD2-CG1 4.37Å; S244-V247 VanDerWaalsContact O-CB 3.3Å; S244-V247 WeakPolarHBondContact O-CB 3.35Å; S244-V247 PolarHBondContact O-N 3Å; S244-V247 WeakPolarHBondContact OG-CG2 3.32Å; A245-V247 PolarHBondContact O-N 3.12Å; V247-E249 PolarHBondContact O-N 3.23Å; V247-L250 PolarHBondContact O-N 3.48Å; V247-I251 HydrophobicContact CG1-CD1 3.5Å; V247-I251 HydrophobicContact CG1-CG1 3.84Å; V247-I251 WeakPolarHBondContact O-CG1 3.41Å; V247-I251 PolarHBondContact O-N 3.23Å; V247-L272 HydrophobicContact CG1-CD2 4.17Å; V247-I277 HydrophobicContact CG1-CD1 4.25Å; V247-I277 HydrophobicContact CG2-CD1 4.04Å
248	A	98.6	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-52.3	176.8	0	0	0	0	0	111.3	M160 V163 F243 A245 D246 I251 Y252	M160-A248 HydrophobicContact CB-CB 4.42Å; V163-A248 HydrophobicContact CB-CB 4.11Å; V163-A248 HydrophobicContact CG1-CB 3.92Å; F243-A248 HydrophobicContact CE2-CB 3.8Å; A245-A248 VanDerWaalsContact O-CB 3.23Å; A245-A248 WeakPolarHBondContact O-CB 3.24Å; A245-A248 PolarHBondContact O-N 3.46Å; A245-A248 VanDerWaalsContact O-N 3.07Å; D246-A248 VanDerWaalsContact C-N 3.34Å; A248-I251 PolarHBondContact O-N 3.11Å; A248-Y252 WeakPolarHBondContact O-CB 3.1Å; A248-Y252 PolarHBondContact O-N 3.5Å
249	E	98	Very high	97.6	Very high	82 Å²	82	29.5 Å²	29.5	38%	0.383	14%	0.136	S	C	.	.	H	α-helix	trans	-65.1	-41.2	179.2	-173.8	-176.9	-172.2	0	0	111.5	A164 V247 Y252 K253	A164-E249 HydrophobicContact CB-CB 3.77Å; A164-E249 HydrophobicContact CB-CG 4.17Å; V247-E249 PolarHBondContact O-N 3.23Å; E249-Y252 PolarHBondContact O-N 2.85Å; E249-K253 HydrophobicContact CG-CD 4.12Å; E249-K253 HydrophobicContact CG-CG 4.43Å; E249-K253 WeakPolarHBondContact O-CB 3.27Å; E249-K253 WeakPolarHBondContact O-CG 3.47Å; E249-K253 PolarHBondContact O-N 3.22Å; E249-K253 WeakPolarHBondContact OE1-CE 3.35Å; E249-K253 IonicContact OE1-NZ 2.6Å; E249-K253 PolarHBondContact OE1-NZ 2.97Å
250	L	98.6	Very high	97.6	Very high	50 Å²	50	31.4 Å²	31.4	26%	0.262	15%	0.146	S	C	.	.	H	α-helix	trans	-62.4	-46	179.2	-69.4	174.4	0	0	0	111.8	R201 D246 V247 T254 L275 I277	R201-L250 HydrophobicContact CG-CD1 4.49Å; D246-L250 WeakPolarHBondContact O-CG 3.37Å; D246-L250 PolarHBondContact O-N 2.89Å; V247-L250 PolarHBondContact O-N 3.48Å; L250-T254 VanDerWaalsContact O-CB 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.46Å; L250-T254 PolarHBondContact O-N 3.19Å; L250-T254 PolarHBondContact O-OG1 2.8Å; L250-L275 HydrophobicContact CB-CD1 3.77Å; L250-L275 HydrophobicContact CB-CD2 3.96Å; L250-L275 HydrophobicContact CD2-CD2 4.28Å; L250-I277 HydrophobicContact CD1-CD1 4.25Å
251	I	98.6	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-48.7	176.9	-67.5	168.1	0	0	0	109.7	L157 M160 F203 V247 A248 K253 T254 S255 V268 C271 L272 L275	L157-I251 HydrophobicContact CD2-CG2 4.35Å; M160-I251 HydrophobicContact CE-CD1 3.75Å; M160-I251 HydrophobicContact CE-CG2 4.11Å; M160-I251 HydrophobicContact SD-CB 3.68Å; M160-I251 HydrophobicContact SD-CD1 4.03Å; M160-I251 HydrophobicContact SD-CG1 4.49Å; M160-I251 HydrophobicContact SD-CG2 3.3Å; M160-I251 WeakPolarHBondContact SD-CG2 3.29Å; F203-I251 HydrophobicContact CD2-CD1 4.39Å; F203-I251 HydrophobicContact CE2-CD1 3.99Å; V247-I251 HydrophobicContact CG1-CD1 3.5Å; V247-I251 HydrophobicContact CG1-CG1 3.84Å; V247-I251 WeakPolarHBondContact O-CG1 3.41Å; V247-I251 PolarHBondContact O-N 3.23Å; A248-I251 PolarHBondContact O-N 3.11Å; I251-K253 PolarHBondContact O-N 3.28Å; I251-T254 PolarHBondContact O-N 3.19Å; I251-T254 VanDerWaalsContact O-N 3.14Å; I251-S255 WeakPolarHBondContact O-CB 3.34Å; I251-S255 PolarHBondContact O-N 3.15Å; I251-V268 HydrophobicContact CD1-CG1 4.04Å; I251-C271 HydrophobicContact CB-CB 4.5Å; I251-C271 HydrophobicContact CG1-CB 4.42Å; I251-C271 HydrophobicContact CG2-CB 3.87Å; I251-L272 HydrophobicContact CD1-CD2 4.07Å; I251-L272 HydrophobicContact CG1-CD2 4.33Å; I251-L275 HydrophobicContact CG1-CD1 4.13Å
252	Y	98.3	Very high	97.3	Very high	37 Å²	37	33.1 Å²	33.1	15%	0.145	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-45.7	-179.5	179.2	-110.3	0	0	0	112.3	H61 L157 R161 A248 E249 T254 S255 L256	H61-Y252 HydrophobicContact CB-CE2 4.19Å; H61-Y252 AromaticContact ND1-CE2 3.9Å; L157-Y252 HydrophobicContact CB-CD2 4.49Å; R161-Y252 HydrophobicContact CB-CD1 4.28Å; R161-Y252 HydrophobicContact CB-CD2 3.73Å; R161-Y252 HydrophobicContact CB-CE1 4.16Å; R161-Y252 HydrophobicContact CB-CE2 3.62Å; R161-Y252 HydrophobicContact CB-CG 4.07Å; R161-Y252 WeakPolarHBondContact CD-OH 3.46Å; R161-Y252 HydrophobicContact CG-CD1 4.37Å; R161-Y252 HydrophobicContact CG-CD2 4.4Å; R161-Y252 HydrophobicContact CG-CE1 3.84Å; R161-Y252 HydrophobicContact CG-CE2 3.89Å; A248-Y252 WeakPolarHBondContact O-CB 3.1Å; A248-Y252 PolarHBondContact O-N 3.5Å; E249-Y252 PolarHBondContact O-N 2.85Å; Y252-T254 VanDerWaalsContact C-N 3.33Å; Y252-T254 PolarHBondContact O-N 3.29Å; Y252-S255 PolarHBondContact O-N 3.45Å; Y252-S255 PolarHBondContact O-OG 3.06Å; Y252-L256 HydrophobicContact CE2-CD2 4.49Å; Y252-L256 PolarHBondContact O-N 3.14Å
253	K	97.4	Very high	97.3	Very high	115 Å²	115	33.7 Å²	33.7	50%	0.5	16%	0.157	S	C	.	.	H	α-helix	trans	-64.8	-37	176.4	-72.5	-177.9	-179.2	174.6	0	112.7	E249 I251 S255 H257	E249-K253 HydrophobicContact CG-CD 4.12Å; E249-K253 HydrophobicContact CG-CG 4.43Å; E249-K253 WeakPolarHBondContact O-CB 3.27Å; E249-K253 WeakPolarHBondContact O-CG 3.47Å; E249-K253 PolarHBondContact O-N 3.22Å; E249-K253 WeakPolarHBondContact OE1-CE 3.35Å; E249-K253 IonicContact OE1-NZ 2.6Å; E249-K253 PolarHBondContact OE1-NZ 2.97Å; I251-K253 PolarHBondContact O-N 3.28Å; K253-S255 VanDerWaalsContact C-N 3.34Å; K253-H257 PolarHBondContact O-CD2 3.49Å
254	T	97.9	Very high	97.2	Very high	26 Å²	26	34.1 Å²	34.1	16%	0.16	16%	0.159	C	C	.	.	H	α-helix	trans	-69.8	-34.1	178.4	-58.2	0	0	0	0	111.9	L250 I251 Y252 L256 H257 T258 C271 K274 L275	L250-T254 VanDerWaalsContact O-CB 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.46Å; L250-T254 PolarHBondContact O-N 3.19Å; L250-T254 PolarHBondContact O-OG1 2.8Å; I251-T254 PolarHBondContact O-N 3.19Å; I251-T254 VanDerWaalsContact O-N 3.14Å; Y252-T254 VanDerWaalsContact C-N 3.33Å; Y252-T254 PolarHBondContact O-N 3.29Å; T254-L256 VanDerWaalsContact C-N 3.31Å; T254-L256 PolarHBondContact O-N 3.26Å; T254-H257 CarbonylContact O-C 3.56Å; T254-H257 PolarHBondContact O-N 3.16Å; T254-H257 VanDerWaalsContact O-N 3.17Å; T254-T258 WeakPolarHBondContact O-CB 3.46Å; T254-T258 PolarHBondContact O-N 2.7Å; T254-T258 PolarHBondContact O-OG1 3.48Å; T254-C271 HydrophobicContact CG2-CB 4.19Å; T254-K274 HydrophobicContact CG2-CB 3.88Å; T254-K274 HydrophobicContact CG2-CD 3.95Å; T254-L275 HydrophobicContact CG2-CG 4.44Å; T254-L275 WeakPolarHBondContact OG1-CD2 3.41Å; T254-L275 WeakPolarHBondContact OG1-CG 3.31Å
255	S	97.5	Very high	97.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-65.6	-34.3	-178.4	80.1	0	0	0	0	112.2	N59 L157 I251 Y252 K253 H257 T258 Y267	N59-S255 PolarHBondContact ND2-O 2.74Å; L157-S255 VanDerWaalsContact CD2-CB 3.48Å; L157-S255 WeakPolarHBondContact CD2-OG 3.18Å; I251-S255 WeakPolarHBondContact O-CB 3.34Å; I251-S255 PolarHBondContact O-N 3.15Å; Y252-S255 PolarHBondContact O-N 3.45Å; Y252-S255 PolarHBondContact O-OG 3.06Å; K253-S255 VanDerWaalsContact C-N 3.34Å; S255-H257 PolarHBondContact O-N 2.98Å; S255-T258 PolarHBondContact O-N 3.41Å; S255-T258 VanDerWaalsContact O-N 3.1Å; S255-Y267 VanDerWaalsContact CA-OH 3.28Å; S255-Y267 WeakPolarHBondContact CA-OH 3.35Å; S255-Y267 VanDerWaalsContact CB-OH 3.3Å; S255-Y267 WeakPolarHBondContact CB-OH 3.27Å; S255-Y267 PolarHBondContact O-OH 3.49Å
256	L	96.1	Very high	97.2	Very high	33 Å²	33	35.6 Å²	35.6	17%	0.173	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.2	175.9	-62.1	179.4	0	0	0	112.8	P57 I58 N59 H61 Y252 T254	P57-L256 CarbonylContact C-O 3.57Å; P57-L256 VanDerWaalsContact CA-O 3.3Å; P57-L256 WeakPolarHBondContact CA-O 3.48Å; P57-L256 HydrophobicContact CB-CB 4.29Å; I58-L256 PolarHBondContact N-O 3.3Å; N59-L256 PolarHBondContact N-O 2.83Å; N59-L256 WeakPolarHBondContact O-CD2 3.37Å; H61-L256 HydrophobicContact CB-CD2 3.96Å; Y252-L256 HydrophobicContact CE2-CD2 4.49Å; Y252-L256 PolarHBondContact O-N 3.14Å; T254-L256 VanDerWaalsContact C-N 3.31Å; T254-L256 PolarHBondContact O-N 3.26Å
257	H	95.8	Very high	97.2	Very high	74 Å²	74	33.9 Å²	33.9	34%	0.343	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	22.2	-179.3	-54	-76.1	0	0	0	113	T55 K253 T254 S255 K274	T55-H257 PolarHBondContact O-CE1 2.73Å; T55-H257 PolarHBondContact OG1-CE1 2.94Å; T55-H257 VanDerWaalsContact OG1-CE1 3.28Å; T55-H257 PolarHBondContact OG1-ND1 2.69Å; K253-H257 PolarHBondContact O-CD2 3.49Å; T254-H257 CarbonylContact O-C 3.56Å; T254-H257 PolarHBondContact O-N 3.16Å; T254-H257 VanDerWaalsContact O-N 3.17Å; S255-H257 PolarHBondContact O-N 2.98Å; H257-K274 PolarHBondContact O-NZ 3.41Å
258	T	94.7	Very high	97.2	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-128.1	116.5	-179.1	-60.4	0	0	0	0	109.7	N59 T254 S255 L260 Y267 K274	N59-T258 PolarHBondContact ND2-O 3.21Å; T254-T258 WeakPolarHBondContact O-CB 3.46Å; T254-T258 PolarHBondContact O-N 2.7Å; T254-T258 PolarHBondContact O-OG1 3.48Å; S255-T258 PolarHBondContact O-N 3.41Å; S255-T258 VanDerWaalsContact O-N 3.1Å; T258-L260 PolarHBondContact O-N 2.97Å; T258-L260 VanDerWaalsContact O-N 3.1Å; T258-Y267 HydrophobicContact CG2-CE2 3.92Å; T258-Y267 PolarHBondContact O-OH 3.4Å; T258-K274 HydrophobicContact CG2-CD 4.32Å; T258-K274 WeakPolarHBondContact OG1-CD 3.32Å; T258-K274 WeakPolarHBondContact OG1-CE 3.41Å; T258-K274 PolarHBondContact OG1-NZ 3.46Å
259	R	94.5	Very high	97.2	Very high	140 Å²	140	34.1 Å²	34.1	53%	0.528	16%	0.159	S	C	.	.			trans	-44.1	120.4	-178.7	-174.5	176.8	-170.5	-173.4	-2	111.7	D225 L226 Y267	D225-R259 PolarHBondContact O-NH1 3.29Å; D225-R259 PolarHBondContact O-NH2 3.29Å; L226-R259 HydrophobicContact CD1-CG 4.36Å; R259-Y267 WeakPolarHBondContact O-CE2 3.44Å
260	L	95.1	Very high	97.2	Very high	52 Å²	52	31.4 Å²	31.4	27%	0.272	15%	0.146	S	C	.	.			trans	-61.8	134.2	-173.3	-165.7	69.7	0	0	0	111.6	N59 T153 L154 L157 T258 Y267	N59-L260 WeakPolarHBondContact OD1-CB 3.16Å; N59-L260 PolarHBondContact OD1-N 2.86Å; N59-L260 VanDerWaalsContact OD1-N 3.16Å; T153-L260 HydrophobicContact CG2-CD1 3.51Å; T153-L260 HydrophobicContact CG2-CG 4.45Å; L154-L260 HydrophobicContact CD2-CD1 4.44Å; L154-L260 HydrophobicContact CD2-CD2 3.89Å; L154-L260 HydrophobicContact CG-CD2 4.41Å; L157-L260 HydrophobicContact CD1-CD1 4.26Å; T258-L260 PolarHBondContact O-N 2.97Å; T258-L260 VanDerWaalsContact O-N 3.1Å; L260-Y267 HydrophobicContact CD1-CE1 4.16Å; L260-Y267 HydrophobicContact CD1-CE2 4.13Å
261	L	96.7	Very high	97.2	Very high	4 Å²	4	29 Å²	29	2%	0.021	13%	0.134	C	C	.	.			trans	-115.9	146.8	168.9	-57.9	-172.9	0	0	0	109	T153 M222 L226 Y227 V266 Y267 L270	T153-L261 VanDerWaalsContact CB-O 3.27Å; T153-L261 WeakPolarHBondContact CB-O 3.32Å; T153-L261 WeakPolarHBondContact CG2-O 3.46Å; T153-L261 PolarHBondContact OG1-O 3.34Å; M222-L261 HydrophobicContact CE-CB 4.24Å; M222-L261 HydrophobicContact CE-CD1 4.03Å; M222-L261 HydrophobicContact CE-CD2 4.28Å; M222-L261 HydrophobicContact CE-CG 4.44Å; M222-L261 HydrophobicContact SD-CD2 4.08Å; L226-L261 HydrophobicContact CD1-CD2 3.89Å; L226-L261 HydrophobicContact CD2-CD2 3.87Å; L226-L261 HydrophobicContact CG-CD2 3.56Å; Y227-L261 HydrophobicContact CD2-CD1 4.08Å; L261-V266 HydrophobicContact CD1-CG1 4.1Å; L261-Y267 HydrophobicContact CB-CD2 4.01Å; L261-Y267 HydrophobicContact CG-CD2 4.18Å; L261-L270 HydrophobicContact CD1-CD1 3.32Å; L261-L270 HydrophobicContact CG-CD1 4.13Å
262	H	95.1	Very high	97.3	Very high	32 Å²	32	29 Å²	29	15%	0.148	13%	0.134	C	C	.	.	S	Bend	trans	-78.4	-19.9	179.6	67.4	-84.3	0	0	0	113.5	H150 T153 Y221 E264	H150-H262 HydrophobicContact CB-CB 4.38Å; H150-H262 AromaticContact ND1-CD2 3.66Å; H150-H262 AromaticContact ND1-CG 3.85Å; H150-H262 VanDerWaalsContact O-CB 3.3Å; H150-H262 WeakPolarHBondContact O-CB 3.45Å; T153-H262 PolarHBondContact OG1-O 2.95Å; Y221-H262 PolarHBondContact O-CE1 3.25Å; Y221-H262 PolarHBondContact O-NE2 3.18Å; H262-E264 PolarHBondContact O-N 3.1Å
263	L	97.8	Very high	97.3	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	16%	0.156	C	C	.	.			trans	-81.6	99	172.8	-59.6	-178.2	0	0	0	108.4	M222 D265 V266 Y267	M222-L263 HydrophobicContact CE-CB 4.4Å; M222-L263 HydrophobicContact CE-CD1 3.8Å; M222-L263 HydrophobicContact CE-CG 3.99Å; L263-D265 PolarHBondContact O-N 3.39Å; L263-V266 HydrophobicContact CB-CB 3.99Å; L263-V266 HydrophobicContact CB-CG2 3.99Å; L263-V266 HydrophobicContact CD1-CG2 4.23Å; L263-V266 PolarHBondContact O-N 3.28Å; L263-Y267 WeakPolarHBondContact O-CB 3.41Å; L263-Y267 PolarHBondContact O-N 2.87Å
264	E	97.8	Very high	97.3	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-56.7	-48.2	-171.6	177.1	-90.7	129.4	0	0	113.5	L152 T153 T156 K175 Y241 H262 Y267 V268	L152-E264 HydrophobicContact CB-CB 4.07Å; T153-E264 VanDerWaalsContact OG1-CA 3.29Å; T153-E264 WeakPolarHBondContact OG1-CA 3.39Å; T153-E264 PolarHBondContact OG1-N 3.46Å; T156-E264 VanDerWaalsContact CB-CG 3.46Å; T156-E264 HydrophobicContact CG2-CG 3.99Å; T156-E264 WeakPolarHBondContact CG2-OE1 3.21Å; T156-E264 WeakPolarHBondContact OG1-CG 3.5Å; T156-E264 PolarHBondContact OG1-OE1 3.1Å; K175-E264 IonicContact NZ-OE2 3.61Å; K175-E264 PolarHBondContact NZ-OE2 3.21Å; Y241-E264 PolarHBondContact OH-OE1 2.97Å; H262-E264 PolarHBondContact O-N 3.1Å; E264-Y267 WeakPolarHBondContact O-CB 3.3Å; E264-Y267 PolarHBondContact O-N 3.01Å; E264-Y267 VanDerWaalsContact O-N 3.15Å; E264-V268 WeakPolarHBondContact O-CG2 3.42Å; E264-V268 PolarHBondContact O-N 3.28Å; E264-V268 WeakPolarHBondContact OE1-CG2 3.38Å
265	D	98.1	Very high	97.3	Very high	35 Å²	35	35.7 Å²	35.7	19%	0.187	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-44.2	-178.2	55.4	-5.1	0	0	0	112.4	F235 C236 G238 L263 Y267 V268 G269	F235-D265 WeakPolarHBondContact CB-O 3.49Å; F235-D265 HydrophobicContact CD2-CB 3.94Å; F235-D265 HydrophobicContact CE2-CB 4.36Å; C236-D265 WeakPolarHBondContact O-CB 3.38Å; G238-D265 PolarHBondContact N-OD2 2.8Å; L263-D265 PolarHBondContact O-N 3.39Å; D265-Y267 VanDerWaalsContact C-N 3.32Å; D265-Y267 PolarHBondContact O-N 3.03Å; D265-V268 PolarHBondContact O-N 2.86Å; D265-G269 PolarHBondContact O-N 3.32Å
266	V	98.4	Very high	97.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-42.9	171.7	177.2	0	0	0	0	110.8	Y232 F235 L261 L263 G269 L270	Y232-V266 HydrophobicContact CD1-CG1 3.48Å; Y232-V266 VanDerWaalsContact CD1-CG1 3.48Å; Y232-V266 HydrophobicContact CD2-CG1 3.98Å; Y232-V266 HydrophobicContact CD2-CG2 3.84Å; Y232-V266 HydrophobicContact CE1-CG1 3.64Å; Y232-V266 HydrophobicContact CE2-CG1 4.09Å; Y232-V266 HydrophobicContact CE2-CG2 3.76Å; Y232-V266 HydrophobicContact CG-CG1 3.65Å; Y232-V266 HydrophobicContact CG-CG2 4.34Å; F235-V266 HydrophobicContact CD1-CG2 4.37Å; F235-V266 HydrophobicContact CD2-CG2 4.29Å; F235-V266 HydrophobicContact CE1-CG2 4.1Å; F235-V266 HydrophobicContact CE2-CG2 4Å; F235-V266 HydrophobicContact CG-CG2 4.47Å; F235-V266 HydrophobicContact CZ-CG2 3.9Å; L261-V266 HydrophobicContact CD1-CG1 4.1Å; L263-V266 HydrophobicContact CB-CB 3.99Å; L263-V266 HydrophobicContact CB-CG2 3.99Å; L263-V266 HydrophobicContact CD1-CG2 4.23Å; L263-V266 PolarHBondContact O-N 3.28Å; V266-G269 WeakPolarHBondContact O-CA 3.47Å; V266-G269 PolarHBondContact O-N 3.13Å; V266-L270 PolarHBondContact O-N 2.71Å
267	Y	98.5	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-41.7	-179.9	-175.6	-100.7	0	0	0	112.5	T153 L157 S255 T258 R259 L260 L261 L263 E264 D265 G269 L270 C271	T153-Y267 HydrophobicContact CG2-CD1 3.19Å; T153-Y267 HydrophobicContact CG2-CD2 4.35Å; T153-Y267 HydrophobicContact CG2-CE1 3.66Å; T153-Y267 HydrophobicContact CG2-CG 3.54Å; L157-Y267 HydrophobicContact CD1-CE1 3.87Å; L157-Y267 HydrophobicContact CD2-CE1 4.14Å; L157-Y267 HydrophobicContact CG-CE1 4.3Å; S255-Y267 VanDerWaalsContact CA-OH 3.28Å; S255-Y267 WeakPolarHBondContact CA-OH 3.35Å; S255-Y267 VanDerWaalsContact CB-OH 3.3Å; S255-Y267 WeakPolarHBondContact CB-OH 3.27Å; S255-Y267 PolarHBondContact O-OH 3.49Å; T258-Y267 HydrophobicContact CG2-CE2 3.92Å; T258-Y267 PolarHBondContact O-OH 3.4Å; R259-Y267 WeakPolarHBondContact O-CE2 3.44Å; L260-Y267 HydrophobicContact CD1-CE1 4.16Å; L260-Y267 HydrophobicContact CD1-CE2 4.13Å; L261-Y267 HydrophobicContact CB-CD2 4.01Å; L261-Y267 HydrophobicContact CG-CD2 4.18Å; L263-Y267 WeakPolarHBondContact O-CB 3.41Å; L263-Y267 PolarHBondContact O-N 2.87Å; E264-Y267 WeakPolarHBondContact O-CB 3.3Å; E264-Y267 PolarHBondContact O-N 3.01Å; E264-Y267 VanDerWaalsContact O-N 3.15Å; D265-Y267 VanDerWaalsContact C-N 3.32Å; D265-Y267 PolarHBondContact O-N 3.03Å; Y267-G269 VanDerWaalsContact C-N 3.32Å; Y267-L270 WeakPolarHBondContact O-CB 3.26Å; Y267-L270 PolarHBondContact O-N 3.26Å; Y267-C271 PolarHBondContact O-N 2.81Å; Y267-C271 VanDerWaalsContact O-N 3.1Å; Y267-C271 PolarHBondContact O-SG 2.74Å; Y267-C271 VanDerWaalsContact O-SG 3.38Å
268	V	98.7	Very high	97.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-43.4	171.8	169.8	0	0	0	0	110.3	T156 M160 F203 I251 E264 D265 L270 C271 L272	T156-V268 HydrophobicContact CG2-CG2 4.17Å; M160-V268 HydrophobicContact CE-CG1 4.37Å; M160-V268 HydrophobicContact CE-CG2 3.89Å; F203-V268 HydrophobicContact CE2-CG1 3.83Å; F203-V268 HydrophobicContact CZ-CG1 3.65Å; I251-V268 HydrophobicContact CD1-CG1 4.04Å; E264-V268 WeakPolarHBondContact O-CG2 3.42Å; E264-V268 PolarHBondContact O-N 3.28Å; E264-V268 WeakPolarHBondContact OE1-CG2 3.38Å; D265-V268 PolarHBondContact O-N 2.86Å; V268-L270 VanDerWaalsContact C-N 3.31Å; V268-L270 PolarHBondContact O-N 3.41Å; V268-C271 WeakPolarHBondContact O-CB 3.45Å; V268-C271 PolarHBondContact O-N 2.82Å; V268-C271 VanDerWaalsContact O-N 3.09Å; V268-L272 HydrophobicContact CG1-CD1 4.22Å; V268-L272 HydrophobicContact CG1-CG 4.34Å; V268-L272 WeakPolarHBondContact O-CG 3.42Å; V268-L272 PolarHBondContact O-N 2.77Å
269	G	98.5	Very high	97.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-55.8	-40.6	173.1	0	0	0	0	0	113.9	D265 V266 Y267 L272 R273	D265-G269 PolarHBondContact O-N 3.32Å; V266-G269 WeakPolarHBondContact O-CA 3.47Å; V266-G269 PolarHBondContact O-N 3.13Å; Y267-G269 VanDerWaalsContact C-N 3.32Å; G269-L272 PolarHBondContact O-N 3.4Å; G269-R273 PolarHBondContact O-N 3.05Å
270	L	98.3	Very high	97.9	Very high	24 Å²	24	39.3 Å²	39.3	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-41.5	174.2	-71.8	169.1	0	0	0	112.6	Y227 P233 L261 V266 Y267 V268 R273 K274	Y227-L270 HydrophobicContact CD2-CD1 4.44Å; Y227-L270 HydrophobicContact CE2-CD1 4.04Å; Y227-L270 HydrophobicContact CE2-CD2 3.82Å; P233-L270 HydrophobicContact CG-CD2 3.66Å; P233-L270 HydrophobicContact CG-CG 4.03Å; L261-L270 HydrophobicContact CD1-CD1 3.32Å; L261-L270 HydrophobicContact CG-CD1 4.13Å; V266-L270 PolarHBondContact O-N 2.71Å; Y267-L270 WeakPolarHBondContact O-CB 3.26Å; Y267-L270 PolarHBondContact O-N 3.26Å; V268-L270 VanDerWaalsContact C-N 3.31Å; V268-L270 PolarHBondContact O-N 3.41Å; L270-R273 PolarHBondContact O-N 3.02Å; L270-K274 PolarHBondContact O-N 3.11Å; L270-K274 VanDerWaalsContact O-N 3.08Å
271	C	98.6	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-43.8	175.6	-64.3	0	0	0	0	111	I251 T254 Y267 V268 R273 K274 L275	I251-C271 HydrophobicContact CB-CB 4.5Å; I251-C271 HydrophobicContact CG1-CB 4.42Å; I251-C271 HydrophobicContact CG2-CB 3.87Å; T254-C271 HydrophobicContact CG2-CB 4.19Å; Y267-C271 PolarHBondContact O-N 2.81Å; Y267-C271 VanDerWaalsContact O-N 3.1Å; Y267-C271 PolarHBondContact O-SG 2.74Å; Y267-C271 VanDerWaalsContact O-SG 3.38Å; V268-C271 WeakPolarHBondContact O-CB 3.45Å; V268-C271 PolarHBondContact O-N 2.82Å; V268-C271 VanDerWaalsContact O-N 3.09Å; C271-R273 PolarHBondContact O-N 3.41Å; C271-K274 PolarHBondContact O-N 3.12Å; C271-L275 WeakPolarHBondContact O-CB 3.49Å; C271-L275 WeakPolarHBondContact O-CD1 3.32Å; C271-L275 VanDerWaalsContact O-CG 3.29Å; C271-L275 WeakPolarHBondContact O-CG 3.4Å; C271-L275 PolarHBondContact O-N 3.39Å
272	L	98.8	Very high	98.1	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-44.7	175.5	-68.6	176.3	0	0	0	112	F203 V247 I251 V268 G269 K274 L275 G276 I277 P279	F203-L272 HydrophobicContact CB-CD1 4.39Å; F203-L272 HydrophobicContact CB-CD2 4.33Å; F203-L272 HydrophobicContact CD1-CD1 3.76Å; F203-L272 HydrophobicContact CD2-CD1 3.82Å; F203-L272 HydrophobicContact CD2-CD2 3.69Å; F203-L272 HydrophobicContact CD2-CG 4.32Å; F203-L272 HydrophobicContact CE1-CD1 3.9Å; F203-L272 HydrophobicContact CE2-CD1 3.97Å; F203-L272 HydrophobicContact CE2-CD2 4.23Å; F203-L272 HydrophobicContact CG-CD1 3.71Å; F203-L272 HydrophobicContact CG-CD2 4.08Å; F203-L272 HydrophobicContact CZ-CD1 4Å; V247-L272 HydrophobicContact CG1-CD2 4.17Å; I251-L272 HydrophobicContact CD1-CD2 4.07Å; I251-L272 HydrophobicContact CG1-CD2 4.33Å; V268-L272 HydrophobicContact CG1-CD1 4.22Å; V268-L272 HydrophobicContact CG1-CG 4.34Å; V268-L272 WeakPolarHBondContact O-CG 3.42Å; V268-L272 PolarHBondContact O-N 2.77Å; G269-L272 PolarHBondContact O-N 3.4Å; L272-K274 PolarHBondContact O-N 2.98Å; L272-L275 CarbonylContact O-C 3.52Å; L272-L275 PolarHBondContact O-N 3.18Å; L272-L275 VanDerWaalsContact O-N 3.16Å; L272-G276 PolarHBondContact O-N 3.28Å; L272-I277 CarbonylContact C-O 3.55Å; L272-I277 HydrophobicContact CD2-CB 3.93Å; L272-I277 HydrophobicContact CD2-CD1 4.48Å; L272-I277 HydrophobicContact CD2-CG2 3.84Å; L272-I277 PolarHBondContact O-N 2.72Å; L272-P279 HydrophobicContact CD1-CB 4.43Å
273	R	98.4	Very high	98.1	Very high	158 Å²	158	46.6 Å²	46.6	60%	0.596	24%	0.239	S	C	*	.	H	α-helix	trans	-56.9	-49.1	175.4	-169.2	-163.4	-169.9	154.8	-5.7	111.5	P233 G269 L270 C271 L275 G276	P233-R273 HydrophobicContact CB-CB 3.9Å; P233-R273 HydrophobicContact CB-CG 4.14Å; P233-R273 HydrophobicContact CG-CB 4.29Å; G269-R273 PolarHBondContact O-N 3.05Å; L270-R273 PolarHBondContact O-N 3.02Å; C271-R273 PolarHBondContact O-N 3.41Å; R273-L275 PolarHBondContact O-N 2.61Å; R273-G276 PolarHBondContact O-N 2.71Å; R273-G276 VanDerWaalsContact O-N 3.1Å
274	K	98.3	Very high	98	Very high	125 Å²	125	46.3 Å²	46.3	54%	0.543	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-33.1	178.3	-74.9	-175.8	172.5	-165.8	0	112.8	T254 H257 T258 L270 C271 L272 G276	T254-K274 HydrophobicContact CG2-CB 3.88Å; T254-K274 HydrophobicContact CG2-CD 3.95Å; H257-K274 PolarHBondContact O-NZ 3.41Å; T258-K274 HydrophobicContact CG2-CD 4.32Å; T258-K274 WeakPolarHBondContact OG1-CD 3.32Å; T258-K274 WeakPolarHBondContact OG1-CE 3.41Å; T258-K274 PolarHBondContact OG1-NZ 3.46Å; L270-K274 PolarHBondContact O-N 3.11Å; L270-K274 VanDerWaalsContact O-N 3.08Å; C271-K274 PolarHBondContact O-N 3.12Å; L272-K274 PolarHBondContact O-N 2.98Å; K274-G276 VanDerWaalsContact C-N 3.3Å
275	L	98.4	Very high	98	Very high	34 Å²	34	45.9 Å²	45.9	18%	0.178	24%	0.236	C	C	.	.	H	α-helix	trans	-79.3	-10.5	177.1	-72.2	165.4	0	0	0	113.3	R201 L250 I251 T254 C271 L272 R273 I277	R201-L275 PolarHBondContact NH2-O 2.88Å; L250-L275 HydrophobicContact CB-CD1 3.77Å; L250-L275 HydrophobicContact CB-CD2 3.96Å; L250-L275 HydrophobicContact CD2-CD2 4.28Å; I251-L275 HydrophobicContact CG1-CD1 4.13Å; T254-L275 HydrophobicContact CG2-CG 4.44Å; T254-L275 WeakPolarHBondContact OG1-CD2 3.41Å; T254-L275 WeakPolarHBondContact OG1-CG 3.31Å; C271-L275 WeakPolarHBondContact O-CB 3.49Å; C271-L275 WeakPolarHBondContact O-CD1 3.32Å; C271-L275 VanDerWaalsContact O-CG 3.29Å; C271-L275 WeakPolarHBondContact O-CG 3.4Å; C271-L275 PolarHBondContact O-N 3.39Å; L272-L275 CarbonylContact O-C 3.52Å; L272-L275 PolarHBondContact O-N 3.18Å; L272-L275 VanDerWaalsContact O-N 3.16Å; R273-L275 PolarHBondContact O-N 2.61Å; L275-I277 VanDerWaalsContact C-N 3.27Å; L275-I277 HydrophobicContact CB-CD1 4.03Å; L275-I277 HydrophobicContact CB-CG1 3.98Å; L275-I277 HydrophobicContact CD1-CD1 4.26Å; L275-I277 PolarHBondContact O-N 3.5Å
276	G	98.4	Very high	97.7	Very high	47 Å²	47	44.5 Å²	44.5	49%	0.485	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	27.1	-171.4	0	0	0	0	0	113.3	L272 R273 K274	L272-G276 PolarHBondContact O-N 3.28Å; R273-G276 PolarHBondContact O-N 2.71Å; R273-G276 VanDerWaalsContact O-N 3.1Å; K274-G276 VanDerWaalsContact C-N 3.3Å
277	I	98.6	Very high	97.4	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.036	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-98.8	124.6	175.3	-60.4	175.9	0	0	0	107.8	R201 F203 V247 L250 L272 L275	R201-I277 HydrophobicContact CB-CD1 4.25Å; R201-I277 HydrophobicContact CB-CG1 4.42Å; R201-I277 VanDerWaalsContact NH2-CG1 3.31Å; F203-I277 HydrophobicContact CB-CG2 4.24Å; V247-I277 HydrophobicContact CG1-CD1 4.25Å; V247-I277 HydrophobicContact CG2-CD1 4.04Å; L250-I277 HydrophobicContact CD1-CD1 4.25Å; L272-I277 CarbonylContact C-O 3.55Å; L272-I277 HydrophobicContact CD2-CB 3.93Å; L272-I277 HydrophobicContact CD2-CD1 4.48Å; L272-I277 HydrophobicContact CD2-CG2 3.84Å; L272-I277 PolarHBondContact O-N 2.72Å; L275-I277 VanDerWaalsContact C-N 3.27Å; L275-I277 HydrophobicContact CB-CD1 4.03Å; L275-I277 HydrophobicContact CB-CG1 3.98Å; L275-I277 HydrophobicContact CD1-CD1 4.26Å; L275-I277 PolarHBondContact O-N 3.5Å
278	H	97.9	Very high	97.1	Very high	141 Å²	141	53 Å²	53	65%	0.653	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-98.9	126.4	179.1	-65.4	84	0	0	0	109.7
279	P	98.3	Very high	96.9	Very high	21 Å²	21	57.3 Å²	57.3	14%	0.136	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-71.3	137.3	175.9	30.4	-34.4	0	0	0	110.7	F203 V207 P234 L272	F203-P279 HydrophobicContact CD1-CB 3.96Å; F203-P279 WeakPolarHBondContact O-CA 3.43Å; V207-P279 HydrophobicContact CG1-CG 4.41Å; V207-P279 HydrophobicContact CG2-CB 3.94Å; V207-P279 HydrophobicContact CG2-CG 4.18Å; P234-P279 HydrophobicContact CB-CG 4.14Å; L272-P279 HydrophobicContact CD1-CB 4.43Å
280	F	98.2	Very high	96.6	Very high	115 Å²	115	58.6 Å²	58.6	50%	0.504	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.9	177.9	-65.7	-83	0	0	0	111.1	Y202 F203 T204 G205 N282	Y202-F280 AromaticContact CD2-CD2 3.81Å; Y202-F280 HydrophobicContact CD2-CD2 3.81Å; Y202-F280 AromaticContact CD2-CE2 3.96Å; Y202-F280 HydrophobicContact CD2-CE2 3.96Å; Y202-F280 AromaticContact CE2-CD2 3.66Å; Y202-F280 HydrophobicContact CE2-CD2 3.66Å; Y202-F280 HydrophobicContact CE2-CE2 4.2Å; Y202-F280 HydrophobicContact CE2-CG 4.32Å; F203-F280 WeakPolarHBondContact O-CD2 3.42Å; F203-F280 PolarHBondContact O-N 2.89Å; T204-F280 WeakPolarHBondContact CA-O 3.28Å; T204-F280 WeakPolarHBondContact CB-O 3.25Å; T204-F280 PolarHBondContact OG1-O 2.74Å; G205-F280 PolarHBondContact N-O 3.49Å; F280-N282 PolarHBondContact O-N 2.96Å
281	Q	98	Very high	96.4	Very high	101 Å²	101	60.8 Å²	60.8	47%	0.472	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	132	173.1	173.8	59	9	0	0	111	V207	V207-Q281 HydrophobicContact CB-CB 4.3Å; V207-Q281 HydrophobicContact CG2-CB 4.23Å
282	N	97.8	Very high	96.2	Very high	33 Å²	33	65.5 Å²	65.5	18%	0.176	33%	0.328	C	S	.	.			trans	-137.8	113.3	175.2	-172.2	-39.5	0	0	0	110.8	L191 T204 G205 F280 G284 F285	L191-N282 VanDerWaalsContact CD1-ND2 3.35Å; L191-N282 WeakPolarHBondContact CD1-ND2 3.33Å; T204-N282 WeakPolarHBondContact OG1-CB 3.38Å; G205-N282 PolarHBondContact O-N 3.29Å; F280-N282 PolarHBondContact O-N 2.96Å; N282-G284 PolarHBondContact O-N 2.79Å; N282-G284 VanDerWaalsContact O-N 3.16Å; N282-G284 WeakPolarHBondContact OD1-CA 3.44Å; N282-G284 PolarHBondContact OD1-N 2.74Å; N282-F285 HydrophobicContact CB-CD2 3.82Å; N282-F285 HydrophobicContact CB-CE2 4.22Å; N282-F285 PolarHBondContact O-N 3.22Å; N282-F285 VanDerWaalsContact O-N 3.11Å
283	S	94.3	Very high	95.9	Very high	108 Å²	108	67.6 Å²	67.6	76%	0.755	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.6	-178.3	59.7	0	0	0	0	114.4	F285	S283-F285 VanDerWaalsContact C-N 3.29Å
284	G	96.2	Very high	95.7	Very high	6 Å²	6	61.2 Å²	61.2	6%	0.062	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.3	170.3	0	0	0	0	0	112.7	N282 I301 T302	N282-G284 PolarHBondContact O-N 2.79Å; N282-G284 VanDerWaalsContact O-N 3.16Å; N282-G284 WeakPolarHBondContact OD1-CA 3.44Å; N282-G284 PolarHBondContact OD1-N 2.74Å; G284-I301 WeakPolarHBondContact O-CA 3.24Å; G284-I301 WeakPolarHBondContact O-CB 3.3Å; G284-I301 PolarHBondContact O-N 2.94Å; G284-T302 PolarHBondContact O-N 2.83Å
285	F	97.5	Very high	95.4	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	31%	0.308	C	S	.	.			trans	-85.8	120.6	176.2	-72.4	-99.3	0	0	0	109.8	L191 T204 Y206 G240 I242 N282 S283 I301 T302	L191-F285 HydrophobicContact CD2-CE2 3.76Å; L191-F285 HydrophobicContact CD2-CZ 4.03Å; T204-F285 HydrophobicContact CG2-CE2 4.46Å; Y206-F285 VanDerWaalsContact CD2-O 3.25Å; Y206-F285 WeakPolarHBondContact CD2-O 3.12Å; G240-F285 WeakPolarHBondContact O-CD1 3.3Å; I242-F285 HydrophobicContact CB-CZ 4.45Å; I242-F285 HydrophobicContact CG1-CE1 4.34Å; I242-F285 HydrophobicContact CG1-CZ 3.73Å; N282-F285 HydrophobicContact CB-CD2 3.82Å; N282-F285 HydrophobicContact CB-CE2 4.22Å; N282-F285 PolarHBondContact O-N 3.22Å; N282-F285 VanDerWaalsContact O-N 3.11Å; S283-F285 VanDerWaalsContact C-N 3.29Å; F285-I301 HydrophobicContact CD2-CD1 4.27Å; F285-I301 HydrophobicContact CE1-CG2 4.3Å; F285-I301 HydrophobicContact CE2-CD1 3.81Å; F285-I301 HydrophobicContact CE2-CG2 4.37Å; F285-I301 HydrophobicContact CZ-CD1 4.42Å; F285-I301 HydrophobicContact CZ-CG2 4.08Å; F285-T302 WeakPolarHBondContact CA-OG1 3.15Å; F285-T302 HydrophobicContact CD1-CG2 3.72Å; F285-T302 HydrophobicContact CE1-CG2 3.95Å
286	N	92.8	Very high	95.2	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.032	33%	0.326	C	S	.	.			trans	-106.5	136.7	176.5	-155.4	74.7	0	0	0	110.4	W288 M290 T302	N286-W288 VanDerWaalsContact ND2-CG 3.29Å; N286-W288 PolarHBondContact ND2-N 3.47Å; N286-W288 PolarHBondContact ND2-NE1 3.37Å; N286-W288 PolarHBondContact ND2-O 2.8Å; N286-W288 WeakPolarHBondContact OD1-CH2 3.31Å; N286-W288 WeakPolarHBondContact OD1-CZ2 3.42Å; N286-M290 HydrophobicContact CB-SD 3.91Å; N286-M290 VanDerWaalsContact ND2-CG 3.34Å; N286-M290 WeakPolarHBondContact ND2-CG 3.24Å; N286-M290 PolarHBondContact OD1-SD 3.38Å; N286-T302 WeakPolarHBondContact CB-O 3.34Å; N286-T302 PolarHBondContact N-O 3.34Å; N286-T302 PolarHBondContact N-OG1 3.35Å; N286-T302 PolarHBondContact O-OG1 3.25Å
287	H	91.1	Very high	95	Very high	59 Å²	59	60.5 Å²	60.5	27%	0.273	30%	0.303	S	S	.	.			trans	-113.8	10.4	179.6	68.7	-88.4	0	0	0	113.6	Y206 S237 T239 H304	Y206-H287 AromaticContact CD1-CE1 3.55Å; Y206-H287 AromaticContact CD1-ND1 3.18Å; Y206-H287 WeakPolarHBondContact CD1-ND1 3.42Å; Y206-H287 AromaticContact CD2-ND1 3.87Å; Y206-H287 AromaticContact CE1-CE1 3.1Å; Y206-H287 WeakPolarHBondContact CE1-CE1 3.23Å; Y206-H287 AromaticContact CE1-ND1 3.27Å; Y206-H287 VanDerWaalsContact CE1-ND1 3.27Å; Y206-H287 WeakPolarHBondContact CE1-ND1 3.37Å; Y206-H287 AromaticContact CE2-ND1 3.92Å; Y206-H287 AromaticContact CG-ND1 3.5Å; Y206-H287 AromaticContact CZ-CE1 3.36Å; Y206-H287 AromaticContact CZ-ND1 3.63Å; S237-H287 VanDerWaalsContact OG-CB 3.23Å; S237-H287 WeakPolarHBondContact OG-CB 3.42Å; T239-H287 HydrophobicContact CG2-CB 3.93Å; T239-H287 WeakPolarHBondContact OG1-CB 3.46Å; H287-H304 PolarHBondContact O-ND1 3.4Å
288	W	92.4	Very high	94.8	Very high	121 Å²	121	62.1 Å²	62.1	46%	0.458	31%	0.309	S	S	.	.	S	Bend	trans	-127.3	168.8	178.1	60.5	94	0	0	0	112.1	Y206 N286 M290 H304	Y206-W288 HydrophobicContact CE2-CH2 4.33Å; Y206-W288 AromaticContact CE2-CZ3 3.95Å; Y206-W288 HydrophobicContact CE2-CZ3 3.95Å; N286-W288 VanDerWaalsContact ND2-CG 3.29Å; N286-W288 PolarHBondContact ND2-N 3.47Å; N286-W288 PolarHBondContact ND2-NE1 3.37Å; N286-W288 PolarHBondContact ND2-O 2.8Å; N286-W288 WeakPolarHBondContact OD1-CH2 3.31Å; N286-W288 WeakPolarHBondContact OD1-CZ2 3.42Å; W288-M290 PolarHBondContact O-N 3.3Å; W288-H304 PolarHBondContact O-N 3.05Å
289	K	93.9	Very high	94.6	Very high	94 Å²	94	64 Å²	64	41%	0.409	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-72.9	124.4	170.9	-171.5	157.4	-175.8	136.1	0	110.1	H304 Q305 E310	K289-H304 WeakPolarHBondContact CA-O 3.38Å; K289-Q305 HydrophobicContact CB-CB 4.1Å; K289-Q305 HydrophobicContact CD-CB 4.05Å; K289-Q305 HydrophobicContact CG-CB 4.37Å; K289-Q305 PolarHBondContact NZ-O 2.66Å; K289-E310 IonicContact NZ-OE1 3.56Å; K289-E310 PolarHBondContact NZ-OE1 2.97Å; K289-E310 IonicContact NZ-OE2 3.54Å; K289-E310 PolarHBondContact NZ-OE2 3.28Å; K289-E310 VanDerWaalsContact NZ-OE2 3.12Å
290	M	92.9	Very high	94.4	Very high	29 Å²	29	63.8 Å²	63.8	14%	0.143	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-100.6	139.3	173.1	-68.1	174.2	65.1	0	0	109.7	N286 W288 Y292 R296 Y297 V300 V303	N286-M290 HydrophobicContact CB-SD 3.91Å; N286-M290 VanDerWaalsContact ND2-CG 3.34Å; N286-M290 WeakPolarHBondContact ND2-CG 3.24Å; N286-M290 PolarHBondContact OD1-SD 3.38Å; W288-M290 PolarHBondContact O-N 3.3Å; M290-Y292 PolarHBondContact O-N 3.25Å; M290-R296 HydrophobicContact CE-CB 4.15Å; M290-Y297 HydrophobicContact CB-CE2 4.15Å; M290-Y297 PolarHBondContact O-OH 2.71Å; M290-Y297 VanDerWaalsContact O-OH 3.05Å; M290-V300 HydrophobicContact CE-CG1 4.2Å; M290-V300 HydrophobicContact SD-CG1 4.36Å; M290-V303 HydrophobicContact CB-CG1 3.88Å; M290-V303 HydrophobicContact CG-CG1 4.2Å; M290-V303 HydrophobicContact SD-CG1 4.37Å; M290-V303 HydrophobicContact SD-CG2 4.16Å
291	A	93.9	Very high	94.4	Very high	69 Å²	69	58.8 Å²	58.8	57%	0.57	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-61.5	132.1	168.7	0	0	0	0	0	109.8	S293	A291-S293 PolarHBondContact O-N 2.96Å
292	Y	94	Very high	94.4	Very high	99 Å²	99	54 Å²	54	39%	0.388	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-65	127.9	-175.5	178.6	-112.3	0	0	0	111.9	M290 Y297 I314 D317	M290-Y292 PolarHBondContact O-N 3.25Å; Y292-Y297 HydrophobicContact CD2-CD1 4.15Å; Y292-Y297 AromaticContact CD2-CD2 4Å; Y292-Y297 HydrophobicContact CD2-CD2 4Å; Y292-Y297 HydrophobicContact CD2-CE1 4.04Å; Y292-Y297 AromaticContact CD2-CE2 3.91Å; Y292-Y297 HydrophobicContact CD2-CE2 3.91Å; Y292-Y297 HydrophobicContact CD2-CG 4.12Å; Y292-Y297 AromaticContact CD2-CZ 3.9Å; Y292-Y297 HydrophobicContact CE2-CD1 4.35Å; Y292-Y297 HydrophobicContact CE2-CG 4.28Å; Y292-I314 HydrophobicContact CD2-CG1 3.83Å; Y292-I314 HydrophobicContact CE2-CB 4.33Å; Y292-I314 HydrophobicContact CE2-CG1 3.75Å; Y292-I314 HydrophobicContact CE2-CG2 4.19Å; Y292-D317 WeakPolarHBondContact OH-CB 3.42Å; Y292-D317 VanDerWaalsContact OH-CG 3.3Å; Y292-D317 PolarHBondContact OH-OD2 2.86Å
293	S	93.4	Very high	94.3	Very high	45 Å²	45	52.4 Å²	52.4	32%	0.315	26%	0.256	S	S	.	.			trans	-153.9	129.1	167.5	165.2	0	0	0	0	106.8	A291 C295 R296 Y297	A291-S293 PolarHBondContact O-N 2.96Å; S293-C295 PolarHBondContact O-N 2.94Å; S293-C295 VanDerWaalsContact O-N 3.15Å; S293-R296 PolarHBondContact O-N 3.38Å; S293-Y297 WeakPolarHBondContact O-CD2 3.48Å; S293-Y297 PolarHBondContact O-N 3.33Å
294	L	93.1	Very high	94.5	Very high	25 Å²	25	48.9 Å²	48.9	13%	0.131	23%	0.227	C	C	.	.	H	α-helix	trans	-48.9	-45.3	179.3	-177.1	66.7	0	0	0	111.6	Y297 R298 D317 M318 K321 L324	L294-Y297 PolarHBondContact O-N 2.79Å; L294-R298 WeakPolarHBondContact O-CB 3.4Å; L294-R298 VanDerWaalsContact O-CG 3.25Å; L294-R298 WeakPolarHBondContact O-CG 3.43Å; L294-R298 PolarHBondContact O-N 3.26Å; L294-D317 HydrophobicContact CD1-CB 4.46Å; L294-M318 HydrophobicContact CD1-CG 4.22Å; L294-M318 HydrophobicContact CD1-SD 3.66Å; L294-K321 HydrophobicContact CD2-CB 3.84Å; L294-K321 HydrophobicContact CD2-CD 4.07Å; L294-L324 HydrophobicContact CD2-CD1 4.15Å
295	C	92.9	Very high	94.5	Very high	43 Å²	43	53.3 Å²	53.3	29%	0.291	25%	0.246	S	C	.	.	H	α-helix	trans	-71.2	-33.3	-178	-65	0	0	0	0	114.3	S293 R299 C326	S293-C295 PolarHBondContact O-N 2.94Å; S293-C295 VanDerWaalsContact O-N 3.15Å; C295-R299 WeakPolarHBondContact O-CG 3.22Å; C295-C326 WeakPolarHBondContact CA-SG 3.28Å; C295-C326 HydrophobicContact CB-CB 3.45Å; C295-C326 VanDerWaalsContact CB-CB 3.45Å; C295-C326 WeakPolarHBondContact CB-SG 3.46Å; C295-C326 WeakPolarHBondContact SG-CB 3.38Å; C295-C326 CovalentContact SG-SG 2.04Å; C295-C326 PolarHBondContact SG-SG 2.93Å
296	R	93.6	Very high	94.5	Very high	144 Å²	144	53.5 Å²	53.5	54%	0.543	25%	0.247	S	C	.	.	H	α-helix	trans	-67.9	-46.4	174.7	-68.7	-176.3	176.4	176.8	-2.3	110.6	M290 S293 R298 R299 V300	M290-R296 HydrophobicContact CE-CB 4.15Å; S293-R296 PolarHBondContact O-N 3.38Å; R296-R298 VanDerWaalsContact C-N 3.26Å; R296-R298 PolarHBondContact O-N 2.88Å; R296-R299 PolarHBondContact O-N 3.49Å; R296-V300 PolarHBondContact O-N 3.01Å
297	Y	94.8	Very high	94.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-28.8	-178.1	-81.1	-124.9	0	0	0	112.2	F181 N183 M290 Y292 S293 L294 R299 V303 I306 I314	F181-Y297 HydrophobicContact CD1-CD1 4.28Å; N183-Y297 PolarHBondContact ND2-O 3.48Å; M290-Y297 HydrophobicContact CB-CE2 4.15Å; M290-Y297 PolarHBondContact O-OH 2.71Å; M290-Y297 VanDerWaalsContact O-OH 3.05Å; Y292-Y297 HydrophobicContact CD2-CD1 4.15Å; Y292-Y297 AromaticContact CD2-CD2 4Å; Y292-Y297 HydrophobicContact CD2-CD2 4Å; Y292-Y297 HydrophobicContact CD2-CE1 4.04Å; Y292-Y297 AromaticContact CD2-CE2 3.91Å; Y292-Y297 HydrophobicContact CD2-CE2 3.91Å; Y292-Y297 HydrophobicContact CD2-CG 4.12Å; Y292-Y297 AromaticContact CD2-CZ 3.9Å; Y292-Y297 HydrophobicContact CE2-CD1 4.35Å; Y292-Y297 HydrophobicContact CE2-CG 4.28Å; S293-Y297 WeakPolarHBondContact O-CD2 3.48Å; S293-Y297 PolarHBondContact O-N 3.33Å; L294-Y297 PolarHBondContact O-N 2.79Å; Y297-R299 VanDerWaalsContact C-N 3.28Å; Y297-R299 PolarHBondContact O-N 3.37Å; Y297-V303 HydrophobicContact CD1-CB 4.49Å; Y297-V303 HydrophobicContact CD1-CG2 3.83Å; Y297-V303 HydrophobicContact CD2-CG2 4.42Å; Y297-V303 HydrophobicContact CE1-CB 3.91Å; Y297-V303 HydrophobicContact CE1-CG1 3.99Å; Y297-V303 HydrophobicContact CE1-CG2 3.67Å; Y297-V303 HydrophobicContact CE2-CG1 4.4Å; Y297-V303 HydrophobicContact CE2-CG2 4.27Å; Y297-V303 HydrophobicContact CG-CG2 4.22Å; Y297-I306 HydrophobicContact CE1-CD1 4.35Å; Y297-I314 HydrophobicContact CD1-CD1 4.29Å; Y297-I314 HydrophobicContact CD1-CG1 4.46Å; Y297-I314 HydrophobicContact CD1-CG2 3.78Å; Y297-I314 HydrophobicContact CE1-CD1 3.62Å; Y297-I314 HydrophobicContact CE1-CG1 4.17Å; Y297-I314 HydrophobicContact CE1-CG2 4.24Å
298	R	93.1	Very high	95.1	Very high	40 Å²	40	54.6 Å²	54.6	15%	0.151	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.2	171.6	-78.5	176.7	175.7	-172.2	-2.5	115.4	N186 L294 R296 M318 K321 L324	N186-R298 PolarHBondContact ND2-O 2.91Å; L294-R298 WeakPolarHBondContact O-CB 3.4Å; L294-R298 VanDerWaalsContact O-CG 3.25Å; L294-R298 WeakPolarHBondContact O-CG 3.43Å; L294-R298 PolarHBondContact O-N 3.26Å; R296-R298 VanDerWaalsContact C-N 3.26Å; R296-R298 PolarHBondContact O-N 2.88Å; R298-M318 HydrophobicContact CG-CE 3.67Å; R298-M318 HydrophobicContact CG-SD 3.55Å; R298-M318 VanDerWaalsContact CG-SD 3.55Å; R298-K321 PolarHBondContact NH2-O 2.96Å; R298-L324 PolarHBondContact NH1-O 3.38Å
299	R	93.6	Very high	95.4	Very high	181 Å²	181	54 Å²	54	68%	0.683	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-15.2	-178.3	-69.2	175.4	-178.1	-169.5	1.9	112.9	C295 R296 Y297 C326	C295-R299 WeakPolarHBondContact O-CG 3.22Å; R296-R299 PolarHBondContact O-N 3.49Å; Y297-R299 VanDerWaalsContact C-N 3.28Å; Y297-R299 PolarHBondContact O-N 3.37Å; R299-C326 PolarHBondContact NH2-O 3.47Å
300	V	95.7	Very high	95.6	Very high	16 Å²	16	52.3 Å²	52.3	10%	0.097	26%	0.255	C	S	.	.			trans	-107.6	166.5	-179.5	-60.1	0	0	0	0	111.4	N183 N186 M290 R296 V303	N183-V300 WeakPolarHBondContact CB-O 3.4Å; N183-V300 PolarHBondContact ND2-O 3.07Å; N186-V300 PolarHBondContact ND2-O 3.34Å; M290-V300 HydrophobicContact CE-CG1 4.2Å; M290-V300 HydrophobicContact SD-CG1 4.36Å; R296-V300 PolarHBondContact O-N 3.01Å; V300-V303 HydrophobicContact CG2-CG2 3.66Å
301	I	97.6	Very high	95.8	Very high	11 Å²	11	51 Å²	51	6%	0.056	25%	0.249	C	C	.	.	S	Bend	trans	-98.4	-46	176.5	-64.2	174.9	0	0	0	109.6	V182 N183 N186 L187 L191 G284 F285	V182-I301 CarbonylContact C-O 3.55Å; V182-I301 WeakPolarHBondContact CA-O 3.49Å; N183-I301 PolarHBondContact N-O 3.04Å; N186-I301 HydrophobicContact CB-CG1 4.1Å; L187-I301 HydrophobicContact CB-CG2 4.09Å; L187-I301 HydrophobicContact CD1-CG2 4.2Å; L191-I301 HydrophobicContact CB-CD1 4.04Å; L191-I301 HydrophobicContact CD2-CD1 3.77Å; L191-I301 HydrophobicContact CG-CD1 4.46Å; G284-I301 WeakPolarHBondContact O-CA 3.24Å; G284-I301 WeakPolarHBondContact O-CB 3.3Å; G284-I301 PolarHBondContact O-N 2.94Å; F285-I301 HydrophobicContact CD2-CD1 4.27Å; F285-I301 HydrophobicContact CE1-CG2 4.3Å; F285-I301 HydrophobicContact CE2-CD1 3.81Å; F285-I301 HydrophobicContact CE2-CG2 4.37Å; F285-I301 HydrophobicContact CZ-CD1 4.42Å; F285-I301 HydrophobicContact CZ-CG2 4.08Å
302	T	97.6	Very high	96	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.5	-180	64.5	0	0	0	0	111.5	M174 I180 F181 G284 F285 N286	M174-T302 HydrophobicContact CE-CG2 3.96Å; I180-T302 HydrophobicContact CG2-CG2 4.12Å; F181-T302 WeakPolarHBondContact O-CA 3.5Å; G284-T302 PolarHBondContact O-N 2.83Å; F285-T302 WeakPolarHBondContact CA-OG1 3.15Å; F285-T302 HydrophobicContact CD1-CG2 3.72Å; F285-T302 HydrophobicContact CE1-CG2 3.95Å; N286-T302 WeakPolarHBondContact CB-O 3.34Å; N286-T302 PolarHBondContact N-O 3.34Å; N286-T302 PolarHBondContact N-OG1 3.35Å; N286-T302 PolarHBondContact O-OG1 3.25Å
303	V	96.8	Very high	96.2	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.8	166.1	-171.8	0	0	0	0	108.9	I180 F181 M290 Y297 V300 I306	I180-V303 WeakPolarHBondContact CA-O 3.31Å; F181-V303 PolarHBondContact N-O 3.14Å; F181-V303 PolarHBondContact O-N 3.34Å; M290-V303 HydrophobicContact CB-CG1 3.88Å; M290-V303 HydrophobicContact CG-CG1 4.2Å; M290-V303 HydrophobicContact SD-CG1 4.37Å; M290-V303 HydrophobicContact SD-CG2 4.16Å; Y297-V303 HydrophobicContact CD1-CB 4.49Å; Y297-V303 HydrophobicContact CD1-CG2 3.83Å; Y297-V303 HydrophobicContact CD2-CG2 4.42Å; Y297-V303 HydrophobicContact CE1-CB 3.91Å; Y297-V303 HydrophobicContact CE1-CG1 3.99Å; Y297-V303 HydrophobicContact CE1-CG2 3.67Å; Y297-V303 HydrophobicContact CE2-CG1 4.4Å; Y297-V303 HydrophobicContact CE2-CG2 4.27Å; Y297-V303 HydrophobicContact CG-CG2 4.22Å; V300-V303 HydrophobicContact CG2-CG2 3.66Å; V303-I306 HydrophobicContact CB-CD1 4.43Å; V303-I306 HydrophobicContact CB-CG1 4.39Å; V303-I306 HydrophobicContact CG1-CD1 3.98Å; V303-I306 HydrophobicContact CG1-CG1 4.36Å
304	H	97.3	Very high	96.4	Very high	33 Å²	33	52.1 Å²	52.1	15%	0.153	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	158.5	-173.3	175.9	-139.6	0	0	0	112.1	D179 I180 T239 H287 W288 K289	D179-H304 IonicContact OD1-CD2 2.94Å; D179-H304 IonicContact OD1-NE2 2.73Å; D179-H304 IonicContact OD2-CD2 3.83Å; D179-H304 PolarHBondContact OD2-CD2 2.77Å; D179-H304 VanDerWaalsContact OD2-CD2 3.28Å; D179-H304 IonicContact OD2-NE2 3.44Å; D179-H304 PolarHBondContact OD2-NE2 2.69Å; I180-H304 HydrophobicContact CD1-CB 3.75Å; I180-H304 VanDerWaalsContact CD1-CD2 3.42Å; I180-H304 WeakPolarHBondContact CD1-CD2 3.35Å; T239-H304 HydrophobicContact CG2-CB 4.35Å; H287-H304 PolarHBondContact O-ND1 3.4Å; W288-H304 PolarHBondContact O-N 3.05Å; K289-H304 WeakPolarHBondContact CA-O 3.38Å
305	Q	96.6	Very high	96.5	Very high	99 Å²	99	53.1 Å²	53.1	46%	0.463	24%	0.235	S	C	.	.	S	Bend	trans	61.4	49.4	-179.8	-53.6	-174.6	-36.2	0	0	113.5	D179 K289	D179-Q305 PolarHBondContact O-N 3.36Å; K289-Q305 HydrophobicContact CB-CB 4.1Å; K289-Q305 HydrophobicContact CD-CB 4.05Å; K289-Q305 HydrophobicContact CG-CB 4.37Å; K289-Q305 PolarHBondContact NZ-O 2.66Å
306	I	97.7	Very high	96.7	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	25%	0.246	C	C	.	.			trans	-102.4	120.5	177.4	-56.4	-56.7	0	0	0	109.4	D179 F181 Y297 V303 E310 M311 I314	D179-I306 PolarHBondContact O-N 3.46Å; F181-I306 HydrophobicContact CB-CB 4.32Å; F181-I306 HydrophobicContact CB-CG1 3.86Å; F181-I306 HydrophobicContact CB-CG2 4.21Å; Y297-I306 HydrophobicContact CE1-CD1 4.35Å; V303-I306 HydrophobicContact CB-CD1 4.43Å; V303-I306 HydrophobicContact CB-CG1 4.39Å; V303-I306 HydrophobicContact CG1-CD1 3.98Å; V303-I306 HydrophobicContact CG1-CG1 4.36Å; I306-E310 WeakPolarHBondContact CA-OE2 3.43Å; I306-E310 HydrophobicContact CG2-CB 3.76Å; I306-M311 HydrophobicContact CG2-CB 4.01Å; I306-I314 HydrophobicContact CD1-CD1 4.05Å; I306-I314 HydrophobicContact CG2-CD1 3.83Å
307	T	98.2	Very high	96.7	Very high	56 Å²	56	50.7 Å²	50.7	34%	0.344	23%	0.23	S	C	.	.			trans	-73.8	162.2	175.3	80.1	0	0	0	0	111.5	E309 E310 M311	T307-E309 VanDerWaalsContact C-N 3.27Å; T307-E309 WeakPolarHBondContact CB-OE2 3.39Å; T307-E309 PolarHBondContact O-N 3.19Å; T307-E309 PolarHBondContact OG1-N 2.91Å; T307-E309 PolarHBondContact OG1-OE2 3.04Å; T307-E310 PolarHBondContact N-OE2 3.29Å; T307-E310 PolarHBondContact O-N 3.29Å; T307-E310 PolarHBondContact OG1-N 3.07Å; T307-M311 WeakPolarHBondContact O-CB 3.33Å; T307-M311 PolarHBondContact O-N 2.87Å
308	P	98.6	Very high	96.7	Very high	33 Å²	33	51.5 Å²	51.5	21%	0.214	24%	0.235	C	C	.	.	H	α-helix	trans	-51	-44.5	173.8	-28.9	37.6	0	0	0	113.1	D92 A93 A96 M311 H312	D92-P308 HydrophobicContact CB-CB 4.49Å; D92-P308 HydrophobicContact CB-CG 4.19Å; A93-P308 HydrophobicContact CB-CG 4.26Å; A96-P308 HydrophobicContact CB-CB 3.77Å; P308-M311 VanDerWaalsContact O-CB 3.3Å; P308-M311 WeakPolarHBondContact O-CB 3.38Å; P308-M311 PolarHBondContact O-N 3.2Å; P308-H312 PolarHBondContact O-CD2 3.14Å; P308-H312 PolarHBondContact O-N 3.43Å; P308-H312 VanDerWaalsContact O-N 3.14Å
309	E	98.3	Very high	96.6	Very high	109 Å²	109	51.9 Å²	51.9	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-68.5	-41.6	179.8	-51.9	78.1	-171.9	0	0	112.2	T307 M311 H312 R313	T307-E309 VanDerWaalsContact C-N 3.27Å; T307-E309 WeakPolarHBondContact CB-OE2 3.39Å; T307-E309 PolarHBondContact O-N 3.19Å; T307-E309 PolarHBondContact OG1-N 2.91Å; T307-E309 PolarHBondContact OG1-OE2 3.04Å; E309-M311 VanDerWaalsContact C-N 3.27Å; E309-M311 PolarHBondContact O-N 2.87Å; E309-H312 PolarHBondContact O-N 3.01Å; E309-R313 VanDerWaalsContact O-CG 3.32Å; E309-R313 WeakPolarHBondContact O-CG 3.37Å; E309-R313 PolarHBondContact O-N 3.13Å; E309-R313 VanDerWaalsContact O-N 3.11Å
310	E	97.9	Very high	96.5	Very high	58 Å²	58	46.9 Å²	46.9	27%	0.271	24%	0.236	S	C	.	.	H	α-helix	trans	-59.8	-41.8	173.2	-72.5	178	144.6	0	0	110	K289 I306 T307 H312 R313 I314	K289-E310 IonicContact NZ-OE1 3.56Å; K289-E310 PolarHBondContact NZ-OE1 2.97Å; K289-E310 IonicContact NZ-OE2 3.54Å; K289-E310 PolarHBondContact NZ-OE2 3.28Å; K289-E310 VanDerWaalsContact NZ-OE2 3.12Å; I306-E310 WeakPolarHBondContact CA-OE2 3.43Å; I306-E310 HydrophobicContact CG2-CB 3.76Å; T307-E310 PolarHBondContact N-OE2 3.29Å; T307-E310 PolarHBondContact O-N 3.29Å; T307-E310 PolarHBondContact OG1-N 3.07Å; E310-H312 PolarHBondContact O-N 3.47Å; E310-R313 PolarHBondContact O-N 3.24Å; E310-I314 HydrophobicContact CB-CD1 4.31Å; E310-I314 WeakPolarHBondContact O-CB 3.38Å; E310-I314 VanDerWaalsContact O-CD1 3.29Å; E310-I314 WeakPolarHBondContact O-CD1 3.01Å; E310-I314 WeakPolarHBondContact O-CG1 3.38Å; E310-I314 PolarHBondContact O-N 3.3Å
311	M	98	Very high	96.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-49	179.9	-165.6	177	-68.9	0	0	111.9	A96 I97 T100 W101 F181 I306 T307 P308 E309 I314 W315	A96-M311 HydrophobicContact CB-SD 4.03Å; I97-M311 HydrophobicContact CB-SD 4.35Å; I97-M311 HydrophobicContact CD1-CE 4.4Å; I97-M311 HydrophobicContact CG1-CE 3.75Å; I97-M311 HydrophobicContact CG1-SD 3.53Å; I97-M311 VanDerWaalsContact CG1-SD 3.53Å; T100-M311 HydrophobicContact CG2-CG 4.41Å; T100-M311 WeakPolarHBondContact OG1-CG 3.33Å; T100-M311 PolarHBondContact OG1-SD 3.03Å; W101-M311 PolarHBondContact NE1-SD 3.04Å; F181-M311 HydrophobicContact CD2-CG 4.08Å; I306-M311 HydrophobicContact CG2-CB 4.01Å; T307-M311 WeakPolarHBondContact O-CB 3.33Å; T307-M311 PolarHBondContact O-N 2.87Å; P308-M311 VanDerWaalsContact O-CB 3.3Å; P308-M311 WeakPolarHBondContact O-CB 3.38Å; P308-M311 PolarHBondContact O-N 3.2Å; E309-M311 VanDerWaalsContact C-N 3.27Å; E309-M311 PolarHBondContact O-N 2.87Å; M311-I314 PolarHBondContact O-N 3.16Å; M311-W315 VanDerWaalsContact O-CB 3.25Å; M311-W315 WeakPolarHBondContact O-CB 3.3Å; M311-W315 PolarHBondContact O-N 3.27Å
312	H	98.3	Very high	95.7	Very high	54 Å²	54	55.4 Å²	55.4	25%	0.25	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-44.1	175.2	-69.6	-69.5	0	0	0	112.5	A96 E99 T100 P308 E309 E310 W315 N316	A96-H312 WeakPolarHBondContact CA-NE2 3.48Å; A96-H312 WeakPolarHBondContact CB-NE2 3.47Å; E99-H312 IonicContact OE2-CE1 3.97Å; E99-H312 PolarHBondContact OE2-CE1 3Å; E99-H312 IonicContact OE2-NE2 2.85Å; T100-H312 WeakPolarHBondContact CG2-ND1 3.44Å; P308-H312 PolarHBondContact O-CD2 3.14Å; P308-H312 PolarHBondContact O-N 3.43Å; P308-H312 VanDerWaalsContact O-N 3.14Å; E309-H312 PolarHBondContact O-N 3.01Å; E310-H312 PolarHBondContact O-N 3.47Å; H312-W315 PolarHBondContact O-N 3.46Å; H312-N316 VanDerWaalsContact O-CB 3.32Å; H312-N316 WeakPolarHBondContact O-CB 3.48Å; H312-N316 PolarHBondContact O-N 3.24Å; H312-N316 PolarHBondContact O-ND2 3.43Å
313	R	97.3	Very high	95.1	Very high	177 Å²	177	62.3 Å²	62.3	67%	0.668	30%	0.303	S	S	*	.	H	α-helix	trans	-60.9	-48.3	178.8	-72	173.9	-173.3	172.5	4.3	111.4	E309 E310 N316 D317	E309-R313 VanDerWaalsContact O-CG 3.32Å; E309-R313 WeakPolarHBondContact O-CG 3.37Å; E309-R313 PolarHBondContact O-N 3.13Å; E309-R313 VanDerWaalsContact O-N 3.11Å; E310-R313 PolarHBondContact O-N 3.24Å; R313-N316 PolarHBondContact O-N 3.49Å; R313-D317 WeakPolarHBondContact O-CB 3.5Å; R313-D317 PolarHBondContact O-N 3Å
314	I	96.8	Very high	94.6	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-47.3	178.2	-66	158.1	0	0	0	109.8	F181 Y292 Y297 I306 E310 M311 N316 D317 M318	F181-I314 HydrophobicContact CD1-CG2 4Å; F181-I314 HydrophobicContact CD2-CB 4.25Å; F181-I314 HydrophobicContact CD2-CG2 3.86Å; F181-I314 HydrophobicContact CE1-CG2 3.7Å; F181-I314 HydrophobicContact CE2-CB 4.11Å; F181-I314 HydrophobicContact CE2-CG2 3.56Å; F181-I314 HydrophobicContact CG-CG2 4.08Å; F181-I314 HydrophobicContact CZ-CB 4.49Å; F181-I314 HydrophobicContact CZ-CG2 3.48Å; F181-I314 VanDerWaalsContact CZ-CG2 3.48Å; Y292-I314 HydrophobicContact CD2-CG1 3.83Å; Y292-I314 HydrophobicContact CE2-CB 4.33Å; Y292-I314 HydrophobicContact CE2-CG1 3.75Å; Y292-I314 HydrophobicContact CE2-CG2 4.19Å; Y297-I314 HydrophobicContact CD1-CD1 4.29Å; Y297-I314 HydrophobicContact CD1-CG1 4.46Å; Y297-I314 HydrophobicContact CD1-CG2 3.78Å; Y297-I314 HydrophobicContact CE1-CD1 3.62Å; Y297-I314 HydrophobicContact CE1-CG1 4.17Å; Y297-I314 HydrophobicContact CE1-CG2 4.24Å; I306-I314 HydrophobicContact CD1-CD1 4.05Å; I306-I314 HydrophobicContact CG2-CD1 3.83Å; E310-I314 HydrophobicContact CB-CD1 4.31Å; E310-I314 WeakPolarHBondContact O-CB 3.38Å; E310-I314 VanDerWaalsContact O-CD1 3.29Å; E310-I314 WeakPolarHBondContact O-CD1 3.01Å; E310-I314 WeakPolarHBondContact O-CG1 3.38Å; E310-I314 PolarHBondContact O-N 3.3Å; M311-I314 PolarHBondContact O-N 3.16Å; I314-N316 PolarHBondContact O-N 3.01Å; I314-D317 PolarHBondContact O-N 3.38Å; I314-M318 HydrophobicContact CG2-CG 4.09Å; I314-M318 VanDerWaalsContact O-CB 3.29Å; I314-M318 WeakPolarHBondContact O-CB 3.48Å; I314-M318 WeakPolarHBondContact O-CG 3.34Å; I314-M318 PolarHBondContact O-N 3.34Å
315	W	96.6	Very high	94	Very high	45 Å²	45	76 Å²	76	17%	0.17	36%	0.359	C	S	.	.	H	α-helix	trans	-60.4	-46.5	-179.4	-177.6	-107	0	0	0	112.4	T100 W101 N106 F181 M311 H312 M318 S319	T100-W315 HydrophobicContact CG2-CB 3.63Å; T100-W315 HydrophobicContact CG2-CG 3.72Å; W101-W315 HydrophobicContact CB-CE3 4.06Å; W101-W315 HydrophobicContact CB-CZ3 3.86Å; N106-W315 WeakPolarHBondContact ND2-CZ2 3.33Å; F181-W315 HydrophobicContact CE2-CB 4.35Å; F181-W315 HydrophobicContact CE2-CE3 4.17Å; F181-W315 HydrophobicContact CZ-CE3 4.2Å; M311-W315 VanDerWaalsContact O-CB 3.25Å; M311-W315 WeakPolarHBondContact O-CB 3.3Å; M311-W315 PolarHBondContact O-N 3.27Å; H312-W315 PolarHBondContact O-N 3.46Å; W315-M318 PolarHBondContact O-N 3.28Å; W315-S319 VanDerWaalsContact O-CB 3.25Å; W315-S319 WeakPolarHBondContact O-CB 3.49Å; W315-S319 PolarHBondContact O-N 3.49Å; W315-S319 PolarHBondContact O-OG 3.32Å
316	N	95.8	Very high	93.4	Very high	96 Å²	96	75.2 Å²	75.2	51%	0.513	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-43.2	178.3	-72.6	-21.4	0	0	0	111.8	H312 R313 I314 S319 S320	H312-N316 VanDerWaalsContact O-CB 3.32Å; H312-N316 WeakPolarHBondContact O-CB 3.48Å; H312-N316 PolarHBondContact O-N 3.24Å; H312-N316 PolarHBondContact O-ND2 3.43Å; R313-N316 PolarHBondContact O-N 3.49Å; I314-N316 PolarHBondContact O-N 3.01Å; N316-S319 PolarHBondContact O-N 3.3Å; N316-S320 VanDerWaalsContact O-CB 3.27Å; N316-S320 WeakPolarHBondContact O-CB 3.3Å; N316-S320 PolarHBondContact O-N 3.44Å; N316-S320 PolarHBondContact O-OG 3.49Å
317	D	95.2	Very high	93.2	Very high	41 Å²	41	78.8 Å²	78.8	22%	0.219	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-46.6	175.5	-95.6	-2.4	0	0	0	112	Y292 L294 R313 I314 S319 K321	Y292-D317 WeakPolarHBondContact OH-CB 3.42Å; Y292-D317 VanDerWaalsContact OH-CG 3.3Å; Y292-D317 PolarHBondContact OH-OD2 2.86Å; L294-D317 HydrophobicContact CD1-CB 4.46Å; R313-D317 WeakPolarHBondContact O-CB 3.5Å; R313-D317 PolarHBondContact O-N 3Å; I314-D317 PolarHBondContact O-N 3.38Å; D317-S319 VanDerWaalsContact C-N 3.27Å; D317-S319 PolarHBondContact O-N 3.28Å; D317-K321 VanDerWaalsContact CG-NZ 3.33Å; D317-K321 VanDerWaalsContact O-CB 3.26Å; D317-K321 WeakPolarHBondContact O-CB 3.47Å; D317-K321 PolarHBondContact O-N 3.07Å; D317-K321 WeakPolarHBondContact OD1-CE 3.37Å; D317-K321 IonicContact OD1-NZ 3.72Å; D317-K321 PolarHBondContact OD1-NZ 3.4Å; D317-K321 IonicContact OD2-NZ 3.67Å; D317-K321 PolarHBondContact OD2-NZ 3.25Å
318	M	92.9	Very high	92.9	Very high	21 Å²	21	79.9 Å²	79.9	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-61.5	-37.4	178.9	-73.5	-74.9	-73	0	0	111.6	N183 L294 R298 I314 W315 K322	N183-M318 WeakPolarHBondContact ND2-CE 3.42Å; L294-M318 HydrophobicContact CD1-CG 4.22Å; L294-M318 HydrophobicContact CD1-SD 3.66Å; R298-M318 HydrophobicContact CG-CE 3.67Å; R298-M318 HydrophobicContact CG-SD 3.55Å; R298-M318 VanDerWaalsContact CG-SD 3.55Å; I314-M318 HydrophobicContact CG2-CG 4.09Å; I314-M318 VanDerWaalsContact O-CB 3.29Å; I314-M318 WeakPolarHBondContact O-CB 3.48Å; I314-M318 WeakPolarHBondContact O-CG 3.34Å; I314-M318 PolarHBondContact O-N 3.34Å; W315-M318 PolarHBondContact O-N 3.28Å; M318-K322 WeakPolarHBondContact O-CG 3.31Å
319	S	91.2	Very high	92.6	Very high	47 Å²	47	82.6 Å²	82.6	33%	0.329	39%	0.392	S	S	.	.	H	α-helix	trans	-78.7	-43.7	-178.5	-63	0	0	0	0	113.3	W315 N316 D317 K322	W315-S319 VanDerWaalsContact O-CB 3.25Å; W315-S319 WeakPolarHBondContact O-CB 3.49Å; W315-S319 PolarHBondContact O-N 3.49Å; W315-S319 PolarHBondContact O-OG 3.32Å; N316-S319 PolarHBondContact O-N 3.3Å; D317-S319 VanDerWaalsContact C-N 3.27Å; D317-S319 PolarHBondContact O-N 3.28Å; S319-K322 WeakPolarHBondContact O-CG 3.34Å
320	S	92.3	Very high	92.3	Very high	76 Å²	76	81 Å²	81	53%	0.531	39%	0.385	S	S	.	.	H	α-helix	trans	-77.5	-33.9	-177	59.4	0	0	0	0	113.2	N316 K322	N316-S320 VanDerWaalsContact O-CB 3.27Å; N316-S320 WeakPolarHBondContact O-CB 3.3Å; N316-S320 PolarHBondContact O-N 3.44Å; N316-S320 PolarHBondContact O-OG 3.49Å; S320-K322 PolarHBondContact O-N 3.47Å
321	K	91.3	Very high	91.9	Very high	73 Å²	73	82.4 Å²	82.4	32%	0.317	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	20.1	-173	-64.1	168.4	179.7	160.2	0	113.6	L294 R298 D317 H323 L324	L294-K321 HydrophobicContact CD2-CB 3.84Å; L294-K321 HydrophobicContact CD2-CD 4.07Å; R298-K321 PolarHBondContact NH2-O 2.96Å; D317-K321 VanDerWaalsContact CG-NZ 3.33Å; D317-K321 VanDerWaalsContact O-CB 3.26Å; D317-K321 WeakPolarHBondContact O-CB 3.47Å; D317-K321 PolarHBondContact O-N 3.07Å; D317-K321 WeakPolarHBondContact OD1-CE 3.37Å; D317-K321 IonicContact OD1-NZ 3.72Å; D317-K321 PolarHBondContact OD1-NZ 3.4Å; D317-K321 IonicContact OD2-NZ 3.67Å; D317-K321 PolarHBondContact OD2-NZ 3.25Å; K321-H323 PolarHBondContact O-N 2.89Å; K321-L324 HydrophobicContact CB-CD1 3.84Å; K321-L324 HydrophobicContact CB-CG 4.17Å; K321-L324 HydrophobicContact CD-CD1 4.15Å; K321-L324 HydrophobicContact CG-CD1 4.07Å; K321-L324 WeakPolarHBondContact O-CB 3.4Å; K321-L324 PolarHBondContact O-N 3.32Å
322	K	85	Confident	91.5	Very high	134 Å²	134	87.9 Å²	87.9	58%	0.583	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-28.9	-176.5	-74.2	-173.7	-175	-164.3	0	114.3	M318 S319 S320	M318-K322 WeakPolarHBondContact O-CG 3.31Å; S319-K322 WeakPolarHBondContact O-CG 3.34Å; S320-K322 PolarHBondContact O-N 3.47Å
323	H	85.4	Confident	91	Very high	145 Å²	145	90.3 Å²	90.3	67%	0.671	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-24	178.2	64	-85.6	0	0	0	114.3	K321	K321-H323 PolarHBondContact O-N 2.89Å
324	L	86.6	Confident	90.5	Very high	79 Å²	79	83.6 Å²	83.6	41%	0.414	41%	0.412	S	S	.	.	S	Bend	trans	-69.9	141.2	178.3	-61.5	-177	0	0	0	110.4	L294 R298 K321	L294-L324 HydrophobicContact CD2-CD1 4.15Å; R298-L324 PolarHBondContact NH1-O 3.38Å; K321-L324 HydrophobicContact CB-CD1 3.84Å; K321-L324 HydrophobicContact CB-CG 4.17Å; K321-L324 HydrophobicContact CD-CD1 4.15Å; K321-L324 HydrophobicContact CG-CD1 4.07Å; K321-L324 WeakPolarHBondContact O-CB 3.4Å; K321-L324 PolarHBondContact O-N 3.32Å
325	R	83.5	Confident	90	Very high	242 Å²	242	90.1 Å²	90.1	91%	0.913	44%	0.443	S	S	*	.			trans	-95.6	147	177.4	-67.4	-173	-179.4	-174.3	1.3	111.9
326	C	84.3	Confident	89.4	Confident	82 Å²	82	94.2 Å²	94.2	55%	0.554	47%	0.468	S	S	*	.			trans	-141.1	0	175.5	-63.6	0	0	0	0	106.9	C295 R299	C295-C326 WeakPolarHBondContact CA-SG 3.28Å; C295-C326 HydrophobicContact CB-CB 3.45Å; C295-C326 VanDerWaalsContact CB-CB 3.45Å; C295-C326 WeakPolarHBondContact CB-SG 3.46Å; C295-C326 WeakPolarHBondContact SG-CB 3.38Å; C295-C326 CovalentContact SG-SG 2.04Å; C295-C326 PolarHBondContact SG-SG 2.93Å; R299-C326 PolarHBondContact NH2-O 3.47Å

Retrieved 326 of 326 residues in 133 ms (Link to these results)

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