G4VFM4_SCHMA Loading...

THAP-type domain-containing protein

AlphaFold DB , UniProt , Accession G4VFM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 273 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	32.3	Very low	32.5	Very low	240 Å²	240	169.9 Å²	169.9	100%	1.182	86%	0.864	S	S	*	*				0	131.6	0	-103.1	175.9	160.7	0	0	109.2
2	R	32.5	Very low	32.3	Very low	222 Å²	222	175.5 Å²	175.5	84%	0.838	87%	0.867	S	S	*	*			trans	61.8	95.6	164.6	-70.5	-175.3	-179	174.1	1.5	119
3	W	27.9	Very low	32.4	Very low	249 Å²	249	169.3 Å²	169.3	94%	0.943	86%	0.86	S	S	*	*			trans	-55.5	123.5	152.7	-68.7	25.8	0	0	0	110.9
4	F	34.2	Very low	32.3	Very low	206 Å²	206	168.7 Å²	168.7	90%	0.904	86%	0.859	S	S	*	*			trans	-92.9	92.8	158.4	-80.4	-81.4	0	0	0	108.3
5	S	30.4	Very low	32.1	Very low	91 Å²	91	164.7 Å²	164.7	64%	0.636	85%	0.846	S	S	*	*			trans	-91.6	123.3	157.5	102.1	0	0	0	0	107
6	K	34.2	Very low	32.2	Very low	187 Å²	187	164.5 Å²	164.5	81%	0.813	84%	0.84	S	S	*	*			trans	162.5	104.3	140.7	-91.3	170.2	-176.2	-173.5	0	108.2
7	N	33.5	Very low	32.2	Very low	166 Å²	166	164.6 Å²	164.6	89%	0.888	84%	0.843	S	S	*	*			trans	-156.9	89.9	135.8	-97.4	-11.2	0	0	0	108.1	G9	N7-G9 PolarHBondContact O-N 3.42Å
8	P	35.4	Very low	32.2	Very low	129 Å²	129	165.1 Å²	165.1	84%	0.838	84%	0.838	S	S	*	*			trans	-83.6	99.3	168.2	32.6	-24.8	0	0	0	107.9
9	G	30.3	Very low	32.3	Very low	79 Å²	79	164.6 Å²	164.6	81%	0.814	84%	0.837	S	S	*	*			trans	-155.2	53	177.8	0	0	0	0	0	110.8	N7	N7-G9 PolarHBondContact O-N 3.42Å
10	S	31.8	Very low	32.2	Very low	107 Å²	107	164.6 Å²	164.6	75%	0.748	83%	0.831	S	S	*	*			trans	-138.9	106.3	175.8	175.4	0	0	0	0	109.8
11	Q	35.1	Very low	32.3	Very low	193 Å²	193	162.8 Å²	162.8	90%	0.902	83%	0.828	S	S	*	*			trans	-139.3	34.5	159.6	-88.3	-168.9	-11.1	0	0	111.4	A13	Q11-A13 PolarHBondContact O-N 3.24Å; Q11-A13 VanDerWaalsContact O-N 3.11Å
12	R	30.4	Very low	32.3	Very low	237 Å²	237	158.9 Å²	158.9	89%	0.894	80%	0.804	S	S	*	*			trans	-79.8	82.5	150.9	-78.6	-174.6	179.4	168.4	0.5	106.4	L14	R12-L14 PolarHBondContact O-N 3Å
13	A	33.5	Very low	32.3	Very low	95 Å²	95	157.9 Å²	157.9	79%	0.785	81%	0.806	S	S	*	*			trans	-57.4	105.4	175.5	0	0	0	0	0	108.6	Q11 V15	Q11-A13 PolarHBondContact O-N 3.24Å; Q11-A13 VanDerWaalsContact O-N 3.11Å; A13-V15 PolarHBondContact O-N 3.02Å
14	L	30.6	Very low	32.7	Very low	161 Å²	161	154.3 Å²	154.3	84%	0.843	80%	0.797	S	S	*	*			trans	-51.2	108.1	165	-83.7	153.9	0	0	0	108.5	R12	R12-L14 PolarHBondContact O-N 3Å
15	V	29.9	Very low	32.8	Very low	109 Å²	109	149.6 Å²	149.6	66%	0.661	79%	0.787	S	S	*	*	S	Bend		22.6	135.7	111.9	179.6	0	0	0	0	115	A13	A13-V15 PolarHBondContact O-N 3.02Å
16	E	32.6	Very low	33.1	Very low	161 Å²	161	152.1 Å²	152.1	75%	0.752	79%	0.793	S	S	*	*			trans	78.4	82.4	174.5	-70.5	159.7	-152.1	0	0	114.6	K18	E16-K18 PolarHBondContact O-N 3.43Å
17	N	33	Very low	33.3	Very low	166 Å²	166	149.2 Å²	149.2	89%	0.888	79%	0.785	S	S	*	*			trans	-48.4	91.5	146.1	-92.1	-32.7	0	0	0	108.8	L19	N17-L19 PolarHBondContact O-N 3.42Å
18	K	31.6	Very low	33.2	Very low	173 Å²	173	152.8 Å²	152.8	75%	0.752	79%	0.787	S	S	*	*			trans	-55.8	90.3	154.6	-67.5	-177.1	179.4	-179.3	0	106.1	E16 K20	E16-K18 PolarHBondContact O-N 3.43Å; K18-K20 HydrophobicContact CB-CG 4.48Å; K18-K20 PolarHBondContact O-N 3.37Å
19	L	34.8	Very low	33.1	Very low	157 Å²	157	150.3 Å²	150.3	82%	0.822	77%	0.772	S	S	*	*			trans	-59.1	86.2	154.3	-86.3	163.5	0	0	0	105.6	N17 V21	N17-L19 PolarHBondContact O-N 3.42Å; L19-V21 PolarHBondContact O-N 3.48Å
20	K	30.5	Very low	33.4	Very low	164 Å²	164	152.5 Å²	152.5	71%	0.713	77%	0.765	S	S	*	*			trans	-61	81.6	162.7	-70.9	175.9	179.4	173.1	0	105.3	K18 K22	K18-K20 HydrophobicContact CB-CG 4.48Å; K18-K20 PolarHBondContact O-N 3.37Å; K20-K22 HydrophobicContact CB-CG 4.39Å; K20-K22 PolarHBondContact O-N 3.46Å
21	V	33.2	Very low	33.5	Very low	127 Å²	127	154.5 Å²	154.5	77%	0.77	77%	0.766	S	S	*	*			trans	-65.5	81.3	155.8	-176.8	0	0	0	0	104.6	L19 K23	L19-V21 PolarHBondContact O-N 3.48Å; V21-K23 PolarHBondContact O-N 3.41Å
22	K	33.3	Very low	33.2	Very low	157 Å²	157	150.9 Å²	150.9	68%	0.683	76%	0.761	S	S	*	*			trans	-57.9	106.8	168.5	-76.3	-175.4	175.5	-179.4	0	104.5	K20 K24	K20-K22 HydrophobicContact CB-CG 4.39Å; K20-K22 PolarHBondContact O-N 3.46Å; K22-K24 PolarHBondContact O-N 3.18Å
23	K	33.2	Very low	33.3	Very low	202 Å²	202	144.9 Å²	144.9	88%	0.878	75%	0.751	S	S	*	*			trans	-54.2	84.2	163.3	-70.6	-179.2	176.5	-179.4	0	107.7	V21 P25	V21-K23 PolarHBondContact O-N 3.41Å; K23-P25 WeakPolarHBondContact O-CD 3.4Å
24	K	35	Very low	33.1	Very low	173 Å²	173	146.1 Å²	146.1	75%	0.752	75%	0.749	S	S	*	*			trans	-89.2	107	162.4	-75.3	-172	176	-176.6	0	104.9	K22 L26	K22-K24 PolarHBondContact O-N 3.18Å; K24-L26 PolarHBondContact O-N 3.39Å
25	P	36.2	Very low	33	Very low	107 Å²	107	147 Å²	147	70%	0.695	75%	0.746	S	S	*	*			trans	-61.1	138.5	179.5	25.9	-31.7	0	0	0	108.8	K23 L27	K23-P25 WeakPolarHBondContact O-CD 3.4Å; P25-L27 VanDerWaalsContact C-N 3.27Å; P25-L27 PolarHBondContact O-N 3.44Å
26	L	37.8	Very low	32.9	Very low	144 Å²	144	152.5 Å²	152.5	75%	0.754	76%	0.755	S	S	*	*			trans	-56.3	83.2	179	-64.5	157.2	0	0	0	110.4	K24 W28 S29	K24-L26 PolarHBondContact O-N 3.39Å; L26-W28 VanDerWaalsContact C-N 3.25Å; L26-S29 PolarHBondContact O-OG 3.47Å
27	L	36.7	Very low	32.6	Very low	126 Å²	126	149.2 Å²	149.2	66%	0.66	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-0.3	170.4	-97.8	153.9	0	0	0	112.5	P25	P25-L27 VanDerWaalsContact C-N 3.27Å; P25-L27 PolarHBondContact O-N 3.44Å
28	W	31.9	Very low	32.4	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.913	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-11.9	171.3	-87.1	56.6	0	0	0	113.9	L26	L26-W28 VanDerWaalsContact C-N 3.25Å
29	S	34.2	Very low	32.3	Very low	77 Å²	77	146.1 Å²	146.1	54%	0.538	75%	0.749	S	S	.	*	S	Bend	trans	-88.4	-1.6	176.7	57.9	0	0	0	0	114.4	L26	L26-S29 PolarHBondContact O-OG 3.47Å
30	L	36.3	Very low	32.2	Very low	126 Å²	126	145.3 Å²	145.3	66%	0.66	75%	0.751	S	S	*	*	S	Bend	trans	-97	-8.4	178.6	-103	137.6	0	0	0	114.6
31	L	33.3	Very low	32.2	Very low	148 Å²	148	147 Å²	147	78%	0.775	76%	0.758	S	S	*	*	S	Bend	trans	-102.1	3.5	179.9	-82	161.2	0	0	0	114.5
32	C	29.9	Very low	32.1	Very low	118 Å²	118	150 Å²	150	80%	0.797	76%	0.761	S	S	*	*	S	Bend	trans	-112	9.4	176.4	-68.4	0	0	0	0	114.4
33	T	32.9	Very low	32.1	Very low	110 Å²	110	153.9 Å²	153.9	68%	0.675	77%	0.771	S	S	*	*			trans	-114.6	53.2	177.6	54	0	0	0	0	111.6
34	T	29.1	Very low	32.2	Very low	122 Å²	122	149.9 Å²	149.9	75%	0.748	77%	0.766	S	S	*	*			trans	-131.6	124.6	163.3	37.4	0	0	0	0	111.3
35	K	28.7	Very low	32.3	Very low	179 Å²	179	146.5 Å²	146.5	78%	0.778	76%	0.764	S	S	*	*			trans	85.4	96.2	173.5	-59.9	179	179.6	175.1	0	114.2
36	R	27.1	Very low	32.5	Very low	224 Å²	224	152 Å²	152	85%	0.845	77%	0.771	S	S	*	*				88.1	134	94.4	-86.6	178.6	-179.3	-172.5	-1.5	108.4
37	S	26.4	Very low	32.7	Very low	93 Å²	93	153 Å²	153	65%	0.65	77%	0.772	S	S	*	*			cis	176	149.5	-5	34.5	0	0	0	0	102
38	S	29.2	Very low	32.9	Very low	107 Å²	107	152.9 Å²	152.9	75%	0.748	77%	0.772	S	S	*	*			trans	55.8	105.4	163.3	63	0	0	0	0	117.8
39	L	28.6	Very low	33.6	Very low	166 Å²	166	146.1 Å²	146.1	87%	0.869	75%	0.753	S	S	*	*				-171.2	98.3	127.3	-97.8	153.1	0	0	0	108.1	F41	L39-F41 PolarHBondContact O-N 3.39Å; L39-F41 VanDerWaalsContact O-N 3.12Å
40	T	32	Very low	34.1	Very low	141 Å²	141	148.1 Å²	148.1	87%	0.865	76%	0.758	S	S	*	*			trans	-56.6	106.8	165.4	46.1	0	0	0	0	109.3
41	F	32	Very low	34.6	Very low	198 Å²	198	146 Å²	146	87%	0.868	75%	0.75	S	S	*	*			trans	-115	112.8	164.3	-144.4	-97.1	0	0	0	109	L39 R43	L39-F41 PolarHBondContact O-N 3.39Å; L39-F41 VanDerWaalsContact O-N 3.12Å; F41-R43 PolarHBondContact O-N 3.39Å
42	K	30.3	Very low	35.3	Very low	190 Å²	190	145.2 Å²	145.2	83%	0.826	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-49.6	129.5	179.6	-68.5	171.6	175	177.8	0	109.5	P44	K42-P44 WeakPolarHBondContact O-CD 3.19Å; K42-P44 VanDerWaalsContact O-N 3.16Å
43	R	34	Very low	36	Very low	239 Å²	239	146.1 Å²	146.1	90%	0.902	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-48.1	119.4	165.9	-75.2	176.8	176	166	-1.8	107.9	F41 S45	F41-R43 PolarHBondContact O-N 3.39Å; R43-S45 PolarHBondContact O-N 3.3Å
44	P	33.9	Very low	36.9	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-65.8	120.5	171.6	26	-29	0	0	0	107.1	K42 R46	K42-P44 WeakPolarHBondContact O-CD 3.19Å; K42-P44 VanDerWaalsContact O-N 3.16Å; P44-R46 PolarHBondContact O-N 3.39Å
45	S	37.6	Very low	37.5	Very low	101 Å²	101	147 Å²	147	71%	0.706	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-51.4	126.5	173.2	41.1	0	0	0	0	109	R43 E47	R43-S45 PolarHBondContact O-N 3.3Å; S45-E47 PolarHBondContact O-N 3.48Å
46	R	41.2	Very low	38.3	Very low	222 Å²	222	145.8 Å²	145.8	84%	0.838	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	24	-165.7	-149.6	178.5	179.3	172.8	-1.6	113.1	P44	P44-R46 PolarHBondContact O-N 3.39Å
47	E	41.7	Very low	39.2	Very low	166 Å²	166	138.7 Å²	138.7	78%	0.776	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-7.2	-169.6	-77.2	172.2	166.4	0	0	114.7	S45	S45-E47 PolarHBondContact O-N 3.48Å
48	N	41.3	Very low	40.2	Very low	124 Å²	124	139.9 Å²	139.9	66%	0.663	69%	0.687	S	S	*	*	S	Bend	trans	-112	4.2	-175.3	-106.6	-24.2	0	0	0	116.2	T51	N48-T51 PolarHBondContact O-OG1 3.43Å; N48-T51 PolarHBondContact OD1-OG1 3.16Å; N48-T51 VanDerWaalsContact OD1-OG1 3.13Å
49	I	45.9	Very low	41	Very low	98 Å²	98	140.8 Å²	140.8	50%	0.503	68%	0.679	S	S	.	*	H	α-helix	trans	-79.9	-34.9	180	-62.3	173.9	0	0	0	111.1	K53	I49-K53 PolarHBondContact O-N 2.85Å; I49-K53 VanDerWaalsContact O-N 3.14Å
50	D	45.8	Very low	41.7	Very low	120 Å²	120	141 Å²	141	64%	0.642	67%	0.668	S	S	*	*	H	α-helix	trans	-77.1	-35.6	-175.7	-65.4	-29.4	0	0	0	112.4	Q52 K53 S54	D50-Q52 PolarHBondContact O-N 3.5Å; D50-K53 PolarHBondContact O-N 3.29Å; D50-S54 WeakPolarHBondContact O-CB 3.34Å; D50-S54 PolarHBondContact O-N 3.4Å
51	T	46	Very low	42.1	Very low	82 Å²	82	142.6 Å²	142.6	50%	0.503	66%	0.658	S	S	.	*	H	α-helix	trans	-65.5	-37.5	174.4	51.8	0	0	0	0	111.9	N48 R55	N48-T51 PolarHBondContact O-OG1 3.43Å; N48-T51 PolarHBondContact OD1-OG1 3.16Å; N48-T51 VanDerWaalsContact OD1-OG1 3.13Å; T51-R55 PolarHBondContact O-N 2.94Å
52	Q	48.8	Very low	42.4	Very low	130 Å²	130	141.1 Å²	141.1	61%	0.607	65%	0.652	S	S	*	*	H	α-helix	trans	-68.6	-47	175.2	-110.2	-174.2	1.4	0	0	111.9	D50 S54 R55 W56	D50-Q52 PolarHBondContact O-N 3.5Å; Q52-S54 VanDerWaalsContact C-N 3.31Å; Q52-S54 PolarHBondContact O-N 3.09Å; Q52-R55 PolarHBondContact O-N 3.41Å; Q52-W56 PolarHBondContact O-N 3.45Å; Q52-W56 VanDerWaalsContact O-N 3.16Å
53	K	44.7	Very low	43	Very low	138 Å²	138	135.3 Å²	135.3	60%	0.6	64%	0.635	S	S	*	*	H	α-helix	trans	-58.4	-42.3	178.3	-83.3	-176.4	176.5	179.4	0	112.2	I49 D50 R55 W56 V57	I49-K53 PolarHBondContact O-N 2.85Å; I49-K53 VanDerWaalsContact O-N 3.14Å; D50-K53 PolarHBondContact O-N 3.29Å; K53-R55 PolarHBondContact O-N 3.43Å; K53-W56 PolarHBondContact O-N 3.42Å; K53-V57 WeakPolarHBondContact O-CG2 3.17Å; K53-V57 PolarHBondContact O-N 2.74Å; K53-V57 VanDerWaalsContact O-N 3.07Å
54	S	50.2	Low	43.2	Very low	61 Å²	61	133.4 Å²	133.4	43%	0.427	63%	0.628	S	S	.	*	H	α-helix	trans	-56.9	-46	175.8	167.1	0	0	0	0	112.3	D50 Q52 W56 V57 Q58	D50-S54 WeakPolarHBondContact O-CB 3.34Å; D50-S54 PolarHBondContact O-N 3.4Å; Q52-S54 VanDerWaalsContact C-N 3.31Å; Q52-S54 PolarHBondContact O-N 3.09Å; S54-W56 PolarHBondContact O-N 3.31Å; S54-V57 PolarHBondContact O-N 3.37Å; S54-Q58 WeakPolarHBondContact O-CG 3.45Å; S54-Q58 PolarHBondContact O-N 3.29Å
55	R	41.9	Very low	43.5	Very low	188 Å²	188	134.7 Å²	134.7	71%	0.709	63%	0.626	S	S	*	*	H	α-helix	trans	-63.5	-41.7	179.4	-123.5	179.6	-171.9	172.7	2.7	112.8	T51 Q52 K53 Q58 Q59	T51-R55 PolarHBondContact O-N 2.94Å; Q52-R55 PolarHBondContact O-N 3.41Å; K53-R55 PolarHBondContact O-N 3.43Å; R55-Q58 PolarHBondContact O-N 3.4Å; R55-Q59 PolarHBondContact O-N 2.91Å
56	W	45.5	Very low	43.3	Very low	155 Å²	155	133.8 Å²	133.8	59%	0.587	62%	0.62	S	S	*	*	H	α-helix	trans	-65.2	-39.9	177.3	-81.1	98.8	0	0	0	112.4	Q52 K53 S54 R60	Q52-W56 PolarHBondContact O-N 3.45Å; Q52-W56 VanDerWaalsContact O-N 3.16Å; K53-W56 PolarHBondContact O-N 3.42Å; S54-W56 PolarHBondContact O-N 3.31Å; W56-R60 PolarHBondContact O-N 3.2Å; W56-R60 VanDerWaalsContact O-N 3.15Å
57	V	47.1	Very low	42.9	Very low	74 Å²	74	129 Å²	129	45%	0.448	61%	0.611	S	S	.	*	H	α-helix	trans	-67.8	-43.2	176.9	174.4	0	0	0	0	110.9	K53 S54 R60 R61	K53-V57 WeakPolarHBondContact O-CG2 3.17Å; K53-V57 PolarHBondContact O-N 2.74Å; K53-V57 VanDerWaalsContact O-N 3.07Å; S54-V57 PolarHBondContact O-N 3.37Å; V57-R60 PolarHBondContact O-N 3.22Å; V57-R61 WeakPolarHBondContact O-CG 3.47Å; V57-R61 PolarHBondContact O-N 3.01Å
58	Q	47.6	Very low	42.5	Very low	119 Å²	119	127.7 Å²	127.7	56%	0.556	61%	0.609	S	S	*	*	H	α-helix	trans	-65	-39.4	177.3	-75	-175.2	-6.6	0	0	112.7	S54 R55 R61 K62	S54-Q58 WeakPolarHBondContact O-CG 3.45Å; S54-Q58 PolarHBondContact O-N 3.29Å; R55-Q58 PolarHBondContact O-N 3.4Å; Q58-R61 PolarHBondContact O-N 3.49Å; Q58-K62 PolarHBondContact O-N 3.31Å
59	Q	44.3	Very low	42.1	Very low	125 Å²	125	131.1 Å²	131.1	58%	0.584	62%	0.619	S	S	*	*	H	α-helix	trans	-64	-41.3	175.3	-83.9	-178.2	-24.2	0	0	112.3	R55 R61 K62 S63	R55-Q59 PolarHBondContact O-N 2.91Å; Q59-R61 VanDerWaalsContact C-N 3.31Å; Q59-R61 PolarHBondContact O-N 3.12Å; Q59-K62 PolarHBondContact O-N 3.22Å; Q59-S63 PolarHBondContact O-N 3.33Å
60	R	44.8	Very low	41.6	Very low	171 Å²	171	131 Å²	131	65%	0.645	62%	0.619	S	S	*	*	H	α-helix	trans	-65	-33.1	174.6	-77.5	-174.8	-174.9	167.4	2.4	113.2	W56 V57 S63 R64	W56-R60 PolarHBondContact O-N 3.2Å; W56-R60 VanDerWaalsContact O-N 3.15Å; V57-R60 PolarHBondContact O-N 3.22Å; R60-S63 PolarHBondContact O-OG 3.03Å; R60-R64 PolarHBondContact O-N 3.28Å
61	R	40.6	Very low	41.4	Very low	174 Å²	174	130 Å²	130	66%	0.657	62%	0.617	S	S	*	*	H	α-helix	trans	-67.4	-44.7	174.6	-73.3	-179.2	-177.9	-177.5	0.9	110.9	V57 Q58 Q59 S63 R64 I65	V57-R61 WeakPolarHBondContact O-CG 3.47Å; V57-R61 PolarHBondContact O-N 3.01Å; Q58-R61 PolarHBondContact O-N 3.49Å; Q59-R61 VanDerWaalsContact C-N 3.31Å; Q59-R61 PolarHBondContact O-N 3.12Å; R61-S63 PolarHBondContact O-N 2.98Å; R61-R64 PolarHBondContact O-N 3.05Å; R61-I65 WeakPolarHBondContact O-CG1 3.28Å; R61-I65 PolarHBondContact O-N 3.47Å
62	K	38.3	Very low	41.3	Very low	168 Å²	168	131.3 Å²	131.3	73%	0.73	62%	0.622	S	S	*	*	H	α-helix	trans	-64.2	-39.8	177	-77.5	-170.2	175.8	-174.5	0	113	Q58 Q59 R64 I65	Q58-K62 PolarHBondContact O-N 3.31Å; Q59-K62 PolarHBondContact O-N 3.22Å; K62-R64 PolarHBondContact O-N 3.43Å; K62-I65 PolarHBondContact O-N 3.39Å
63	S	41.9	Very low	40.6	Very low	68 Å²	68	130.7 Å²	130.7	48%	0.476	62%	0.622	S	S	.	*	H	α-helix	trans	-70.4	-17	-179.8	74.9	0	0	0	0	114	Q59 R60 R61 S66	Q59-S63 PolarHBondContact O-N 3.33Å; R60-S63 PolarHBondContact O-OG 3.03Å; R61-S63 PolarHBondContact O-N 2.98Å; S63-S66 PolarHBondContact O-OG 3.19Å
64	R	39	Very low	40.2	Very low	199 Å²	199	129.7 Å²	129.7	75%	0.751	62%	0.622	S	S	*	*	H	α-helix	trans	-91.7	-26.8	176.5	-77.7	-175.9	176.5	179.2	-2.3	113.4	R60 R61 K62 S66 N67	R60-R64 PolarHBondContact O-N 3.28Å; R61-R64 PolarHBondContact O-N 3.05Å; K62-R64 PolarHBondContact O-N 3.43Å; R64-S66 PolarHBondContact O-N 2.71Å; R64-N67 PolarHBondContact O-N 3.06Å
65	I	39	Very low	39.6	Very low	145 Å²	145	132.2 Å²	132.2	74%	0.744	63%	0.631	S	S	*	*	H	α-helix	trans	-72.3	-21.4	178.6	-64.7	166.9	0	0	0	111.4	R61 K62 N67	R61-I65 WeakPolarHBondContact O-CG1 3.28Å; R61-I65 PolarHBondContact O-N 3.47Å; K62-I65 PolarHBondContact O-N 3.39Å; I65-N67 VanDerWaalsContact C-N 3.31Å; I65-N67 PolarHBondContact O-N 2.94Å
66	S	34.1	Very low	39.4	Very low	82 Å²	82	126 Å²	126	57%	0.573	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	0.2	176.5	63.4	0	0	0	0	115.1	S63 R64 N68	S63-S66 PolarHBondContact O-OG 3.19Å; R64-S66 PolarHBondContact O-N 2.71Å; S66-N68 PolarHBondContact O-N 2.86Å
67	N	33.3	Very low	39.2	Very low	122 Å²	122	124.1 Å²	124.1	65%	0.652	62%	0.616	S	S	*	*	S	Bend	trans	-98.7	87.3	178.3	-74.8	-5	0	0	0	110.7	R64 I65	R64-N67 PolarHBondContact O-N 3.06Å; I65-N67 VanDerWaalsContact C-N 3.31Å; I65-N67 PolarHBondContact O-N 2.94Å
68	N	32	Very low	38.7	Very low	138 Å²	138	127.7 Å²	127.7	74%	0.738	63%	0.628	S	S	*	*			trans	51.3	78.4	141.1	-58.3	-16.3	0	0	0	116.1	S66 D70	S66-N68 PolarHBondContact O-N 2.86Å; N68-D70 PolarHBondContact O-N 3.33Å
69	F	32.9	Very low	38	Very low	196 Å²	196	125.4 Å²	125.4	86%	0.86	63%	0.625	S	S	*	*			trans	-58	91.8	141.9	-97.6	-94.8	0	0	0	107.7	T71	F69-T71 VanDerWaalsContact C-N 3.35Å; F69-T71 PolarHBondContact O-N 2.82Å
70	D	35	Very low	37.5	Very low	95 Å²	95	125.7 Å²	125.7	51%	0.508	63%	0.63	S	S	.	*			trans	-73.5	91.2	174.5	-160	-14.1	0	0	0	108.1	N68 N72 L73	N68-D70 PolarHBondContact O-N 3.33Å; D70-N72 PolarHBondContact O-N 3.33Å; D70-N72 PolarHBondContact OD1-ND2 2.77Å; D70-L73 PolarHBondContact O-N 2.82Å; D70-L73 VanDerWaalsContact O-N 3.16Å
71	T	42.3	Very low	37.1	Very low	99 Å²	99	122.1 Å²	122.1	61%	0.607	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-15.7	-175.6	47.3	0	0	0	0	113.5	F69 L73	F69-T71 VanDerWaalsContact C-N 3.35Å; F69-T71 PolarHBondContact O-N 2.82Å; T71-L73 VanDerWaalsContact C-N 3.33Å; T71-L73 PolarHBondContact O-N 3.33Å
72	N	43.2	Very low	36.8	Very low	111 Å²	111	118.5 Å²	118.5	59%	0.594	63%	0.633	S	S	*	*	H	α-helix	trans	-69.2	-29.5	178.2	-64.6	-42.8	0	0	0	113	D70 L74 L75 S76	D70-N72 PolarHBondContact O-N 3.33Å; D70-N72 PolarHBondContact OD1-ND2 2.77Å; N72-L74 VanDerWaalsContact C-N 3.33Å; N72-L74 PolarHBondContact O-N 2.96Å; N72-L75 PolarHBondContact O-N 3.43Å; N72-S76 PolarHBondContact O-OG 3.41Å
73	L	35.6	Very low	36.7	Very low	116 Å²	116	119.5 Å²	119.5	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-69	-29.6	-177.8	-103.7	158.7	0	0	0	113.1	D70 T71 S76	D70-L73 PolarHBondContact O-N 2.82Å; D70-L73 VanDerWaalsContact O-N 3.16Å; T71-L73 VanDerWaalsContact C-N 3.33Å; T71-L73 PolarHBondContact O-N 3.33Å; L73-S76 PolarHBondContact O-OG 2.67Å
74	L	35.1	Very low	36.3	Very low	118 Å²	118	121.9 Å²	121.9	62%	0.618	65%	0.654	S	S	*	*	H	α-helix	trans	-73.7	-37.1	177.3	-80.2	166.7	0	0	0	112.3	N72 S76 L77 E78	N72-L74 VanDerWaalsContact C-N 3.33Å; N72-L74 PolarHBondContact O-N 2.96Å; L74-S76 VanDerWaalsContact C-N 3.32Å; L74-S76 PolarHBondContact O-N 2.88Å; L74-L77 PolarHBondContact O-N 2.84Å; L74-E78 PolarHBondContact O-N 3.34Å
75	L	37.8	Very low	35.8	Very low	114 Å²	114	115 Å²	115	60%	0.597	65%	0.646	S	S	*	*	H	α-helix	trans	-67.5	-31.6	-179.9	-69.7	172.9	0	0	0	112.7	N72 L77 S79	N72-L75 PolarHBondContact O-N 3.43Å; L75-L77 VanDerWaalsContact C-N 3.28Å; L75-L77 PolarHBondContact O-N 3.16Å; L75-S79 PolarHBondContact O-N 2.85Å
76	S	38.8	Very low	35.4	Very low	56 Å²	56	115.7 Å²	115.7	39%	0.392	65%	0.65	S	S	.	*	H	α-helix	trans	-67.1	-26.4	174.5	35.3	0	0	0	0	113.9	N72 L73 L74 S79	N72-S76 PolarHBondContact O-OG 3.41Å; L73-S76 PolarHBondContact O-OG 2.67Å; L74-S76 VanDerWaalsContact C-N 3.32Å; L74-S76 PolarHBondContact O-N 2.88Å; S76-S79 PolarHBondContact O-OG 3.45Å
77	L	40	Very low	35.3	Very low	116 Å²	116	122 Å²	122	61%	0.607	66%	0.663	S	S	*	*	H	α-helix	trans	-77.5	-37.7	178.7	-89.5	154.4	0	0	0	112	L74 L75 S79 L80	L74-L77 PolarHBondContact O-N 2.84Å; L75-L77 VanDerWaalsContact C-N 3.28Å; L75-L77 PolarHBondContact O-N 3.16Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 3.46Å; L77-L80 PolarHBondContact O-N 3.37Å
78	E	36.9	Very low	35.1	Very low	149 Å²	149	125.2 Å²	125.2	70%	0.696	68%	0.677	S	S	*	*	H	α-helix	trans	-65.5	-31.3	175.1	-82.1	-175.7	154.3	0	0	112.6	L74 L80	L74-E78 PolarHBondContact O-N 3.34Å; E78-L80 PolarHBondContact O-N 3.15Å
79	S	33.9	Very low	34.9	Very low	71 Å²	71	127 Å²	127	50%	0.497	68%	0.68	S	S	.	*	H	α-helix	trans	-74.3	-24.2	180	91	0	0	0	0	114	L75 S76 L77 S82	L75-S79 PolarHBondContact O-N 2.85Å; S76-S79 PolarHBondContact O-OG 3.45Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 3.46Å; S79-S82 PolarHBondContact O-OG 3.07Å
80	L	33.9	Very low	34.7	Very low	131 Å²	131	123.6 Å²	123.6	69%	0.686	68%	0.676	S	S	*	*	H	α-helix	trans	-81.3	-26.3	-179.7	-76.7	166.2	0	0	0	112.5	L77 E78 S82	L77-L80 PolarHBondContact O-N 3.37Å; E78-L80 PolarHBondContact O-N 3.15Å; L80-S82 VanDerWaalsContact C-N 3.25Å; L80-S82 PolarHBondContact O-N 2.96Å
81	S	35.2	Very low	34.4	Very low	96 Å²	96	129.2 Å²	129.2	67%	0.671	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-18.8	178.7	-177.7	0	0	0	0	113.9
82	S	34.9	Very low	33.7	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	1.4	-173.7	52.4	0	0	0	0	114.9	S79 L80	S79-S82 PolarHBondContact O-OG 3.07Å; L80-S82 VanDerWaalsContact C-N 3.25Å; L80-S82 PolarHBondContact O-N 2.96Å
83	K	36.6	Very low	32.9	Very low	188 Å²	188	138.4 Å²	138.4	82%	0.817	72%	0.717	S	S	*	*			trans	-106.5	8.6	-177.6	-97.9	-179.4	178.3	177.4	0	116	G85	K83-G85 VanDerWaalsContact C-N 3.33Å; K83-G85 PolarHBondContact O-N 3.33Å
84	S	33.5	Very low	32.6	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	72%	0.723	S	S	*	*			trans	-86.8	13.3	-178.1	62.4	0	0	0	0	115.7
85	G	29	Very low	32.3	Very low	56 Å²	56	141.4 Å²	141.4	58%	0.577	73%	0.734	S	S	*	*	S	Bend	trans	-107	118.1	169.5	0	0	0	0	0	111.3	K83	K83-G85 VanDerWaalsContact C-N 3.33Å; K83-G85 PolarHBondContact O-N 3.33Å
86	N	30.3	Very low	32	Very low	158 Å²	158	143.9 Å²	143.9	85%	0.845	75%	0.747	S	S	*	*	S	Bend	trans	110	38.6	164.2	-55.2	-16.5	0	0	0	119.8
87	Y	31	Very low	31.6	Very low	215 Å²	215	148.4 Å²	148.4	84%	0.843	77%	0.765	S	S	*	*			trans	-138.5	80.4	162.7	-103.1	-89	0	0	0	111.7
88	M	28.9	Very low	31	Very low	189 Å²	189	147.5 Å²	147.5	93%	0.931	78%	0.775	S	S	*	*			trans	-142.6	25.7	171.4	-103.9	-72.1	156.1	0	0	113.3
89	E	27.8	Very low	30.6	Very low	175 Å²	175	144.9 Å²	144.9	82%	0.818	77%	0.773	S	S	*	*	S	Bend	trans	-122.1	143.1	162.6	-79.1	-170.4	145.9	0	0	109.5
90	T	29.3	Very low	30.2	Very low	126 Å²	126	147.8 Å²	147.8	77%	0.773	78%	0.783	S	S	*	*			trans	73.6	72.6	176.6	39.9	0	0	0	0	118.6
91	F	28.9	Very low	29.7	Very low	213 Å²	213	149.4 Å²	149.4	93%	0.934	79%	0.791	S	S	*	*			trans	-135.4	80.6	137.2	-80.4	-74.3	0	0	0	110.1
92	K	26.3	Very low	29.2	Very low	187 Å²	187	152.9 Å²	152.9	81%	0.813	79%	0.794	S	S	*	*			trans	-83.2	128.8	162	-89.9	178.5	176.2	171.2	0	108.5
93	R	27.3	Very low	28.6	Very low	216 Å²	216	156.5 Å²	156.5	82%	0.815	80%	0.8	S	S	*	*	S	Bend	trans	74.7	139	145	-78.6	-175.2	178.1	144.9	-0.4	119.8
94	D	29.2	Very low	28	Very low	136 Å²	136	152.1 Å²	152.1	73%	0.727	79%	0.792	S	S	*	*			trans	79.6	77.5	157.8	-48.1	-22.8	0	0	0	116.8
95	N	28.4	Very low	27.5	Very low	161 Å²	161	151.3 Å²	151.3	86%	0.861	79%	0.786	S	S	*	*			trans	-173.9	79.6	134.1	-88.9	-25.4	0	0	0	109.4
96	L	31.2	Very low	27.5	Very low	166 Å²	166	153.8 Å²	153.8	87%	0.869	79%	0.787	S	S	*	*			trans	-68	129.7	165.3	-115.9	108	0	0	0	108.6
97	I	30.9	Very low	27.4	Very low	150 Å²	150	154.6 Å²	154.6	77%	0.769	79%	0.785	S	S	*	*	S	Bend	trans	112.8	-22.5	151.5	-57.1	157.7	0	0	0	117.9
98	A	28.2	Very low	27.6	Very low	98 Å²	98	148.5 Å²	148.5	81%	0.81	77%	0.767	S	S	*	*	S	Bend	trans	-100.2	-9.9	-173.8	0	0	0	0	0	118.1
99	S	27.5	Very low	27.9	Very low	93 Å²	93	143 Å²	143	65%	0.65	75%	0.745	S	S	*	*	S	Bend	trans	-115.3	6.2	-173.7	66.1	0	0	0	0	115.8	L101	S99-L101 PolarHBondContact O-N 2.67Å
100	N	25.6	Very low	28.6	Very low	132 Å²	132	138.3 Å²	138.3	71%	0.706	73%	0.725	S	S	*	*			trans	-86.8	20.3	176	-75.4	-19.5	0	0	0	113.5	K102	N100-K102 PolarHBondContact O-N 2.89Å
101	L	23.5	Very low	29	Very low	165 Å²	165	133.8 Å²	133.8	86%	0.864	70%	0.701	S	S	*	*			trans	-68.8	64.8	146.4	-81.8	157.7	0	0	0	107.2	S99 Q103	S99-L101 PolarHBondContact O-N 2.67Å; L101-Q103 PolarHBondContact O-N 2.85Å
102	K	24.7	Very low	29.3	Very low	169 Å²	169	129.5 Å²	129.5	74%	0.735	68%	0.679	S	S	*	*			trans	-63.5	90.8	158.5	-75.2	-172.6	179.2	-177.1	0	103.7	N100 C104	N100-K102 PolarHBondContact O-N 2.89Å; K102-C104 VanDerWaalsContact C-N 3.31Å; K102-C104 PolarHBondContact O-N 3.31Å
103	Q	22.8	Very low	29.8	Very low	176 Å²	176	121.4 Å²	121.4	82%	0.822	65%	0.645	S	S	*	*			trans	-35.4	106.7	159.4	-170.7	169.8	5.6	0	0	105.2	L101 S105	L101-Q103 PolarHBondContact O-N 2.85Å; Q103-S105 PolarHBondContact O-N 3.06Å
104	C	23.8	Very low	30	Very low	96 Å²	96	114.8 Å²	114.8	65%	0.649	63%	0.631	S	S	*	*			trans	-62.1	76	170.5	-80.2	0	0	0	0	105.8	K102 N106	K102-C104 VanDerWaalsContact C-N 3.31Å; K102-C104 PolarHBondContact O-N 3.31Å; C104-N106 HydrophobicContact CB-CB 4.32Å; C104-N106 VanDerWaalsContact CB-CG 3.45Å; C104-N106 WeakPolarHBondContact CB-ND2 3.29Å; C104-N106 WeakPolarHBondContact CB-OD1 3.4Å; C104-N106 PolarHBondContact O-N 3.44Å
105	S	24	Very low	30.3	Very low	100 Å²	100	115.3 Å²	115.3	70%	0.699	63%	0.633	S	S	*	*			trans	-67.3	60.7	150.3	60.2	0	0	0	0	105.6	Q103 E107	Q103-S105 PolarHBondContact O-N 3.06Å; S105-E107 PolarHBondContact O-N 3.44Å
106	N	27	Very low	30.9	Very low	109 Å²	109	110 Å²	110	58%	0.583	61%	0.608	S	S	*	*			trans	-76.3	60.6	172.2	-69	-7.6	0	0	0	105.2	C104 L108	C104-N106 HydrophobicContact CB-CB 4.32Å; C104-N106 VanDerWaalsContact CB-CG 3.45Å; C104-N106 WeakPolarHBondContact CB-ND2 3.29Å; C104-N106 WeakPolarHBondContact CB-OD1 3.4Å; C104-N106 PolarHBondContact O-N 3.44Å; N106-L108 PolarHBondContact O-N 2.83Å
107	E	29.3	Very low	31.2	Very low	175 Å²	175	108.4 Å²	108.4	82%	0.818	60%	0.596	S	S	*	*			trans	-58.8	89.8	152.6	-70.8	-173.5	173.4	0	0	104.2	S105 P109	S105-E107 PolarHBondContact O-N 3.44Å; E107-P109 WeakPolarHBondContact O-CD 3.42Å; E107-P109 VanDerWaalsContact O-N 3.16Å
108	L	35.8	Very low	31.6	Very low	86 Å²	86	103.5 Å²	103.5	45%	0.45	57%	0.573	S	S	.	*			trans	-55.6	122.6	178	-68.2	162.3	0	0	0	105.5	N106 I110 V157 Y158	N106-L108 PolarHBondContact O-N 2.83Å; L108-I110 PolarHBondContact O-N 3.42Å; L108-V157 HydrophobicContact CD2-CG1 4.36Å; L108-Y158 HydrophobicContact CB-CE1 3.55Å; L108-Y158 WeakPolarHBondContact CB-OH 3.43Å; L108-Y158 HydrophobicContact CD1-CD1 4.05Å; L108-Y158 HydrophobicContact CD1-CE1 3.58Å; L108-Y158 HydrophobicContact CG-CE1 4.07Å; L108-Y158 PolarHBondContact O-OH 3.06Å
109	P	34.6	Very low	32.4	Very low	75 Å²	75	102 Å²	102	49%	0.487	55%	0.552	S	S	.	*			trans	-68.4	101	-169.1	22.3	-29.4	0	0	0	108.7	E107 A111 P122 Y158	E107-P109 WeakPolarHBondContact O-CD 3.42Å; E107-P109 VanDerWaalsContact O-N 3.16Å; P109-A111 PolarHBondContact O-N 3.13Å; P109-P122 HydrophobicContact CG-CG 4.31Å; P109-P122 WeakPolarHBondContact O-CD 3.46Å; P109-P122 WeakPolarHBondContact O-CG 3.11Å; P109-Y158 PolarHBondContact O-OH 2.67Å
110	I	41.7	Very low	33.1	Very low	75 Å²	75	98.1 Å²	98.1	39%	0.385	52%	0.524	S	S	.	.			trans	-82.4	100.6	157.3	-58.8	175.2	0	0	0	104.3	L108 Y112 N119 Y158 L163	L108-I110 PolarHBondContact O-N 3.42Å; I110-Y112 PolarHBondContact O-N 3.33Å; I110-N119 HydrophobicContact CG2-CB 3.59Å; I110-Y158 WeakPolarHBondContact CG1-OH 3.25Å; I110-L163 HydrophobicContact CD1-CD1 3.98Å
111	A	38.8	Very low	34.2	Very low	32 Å²	32	92 Å²	92	26%	0.264	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.1	177.6	0	0	0	0	0	108.4	P109 V120 Y190	P109-A111 PolarHBondContact O-N 3.13Å; A111-V120 PolarHBondContact N-O 2.92Å; A111-V120 WeakPolarHBondContact O-CA 3.38Å; A111-V120 WeakPolarHBondContact O-CB 3.38Å; A111-V120 PolarHBondContact O-N 2.87Å; A111-Y190 HydrophobicContact CB-CD1 3.87Å; A111-Y190 HydrophobicContact CB-CE1 3.62Å
112	Y	34.9	Very low	35	Very low	123 Å²	123	84.3 Å²	84.3	48%	0.482	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.8	171	178.9	-103	0	0	0	108.7	I110 P114 H117	I110-Y112 PolarHBondContact O-N 3.33Å; Y112-P114 VanDerWaalsContact O-CD 3.29Å; Y112-P114 WeakPolarHBondContact O-CD 3.35Å; Y112-H117 AromaticContact CE1-ND1 3.97Å; Y112-H117 HydrophobicContact CE2-CB 4.35Å; Y112-H117 VanDerWaalsContact CE2-O 3.28Å; Y112-H117 WeakPolarHBondContact CE2-O 3.42Å; Y112-H117 VanDerWaalsContact CZ-CA 3.49Å; Y112-H117 AromaticContact CZ-ND1 3.65Å; Y112-H117 WeakPolarHBondContact OH-CA 3.45Å; Y112-H117 WeakPolarHBondContact OH-CB 3.36Å; Y112-H117 VanDerWaalsContact OH-CG 3.31Å; Y112-H117 PolarHBondContact OH-ND1 3.26Å
113	C	36.4	Very low	35.8	Very low	16 Å²	16	76.5 Å²	76.5	11%	0.108	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	114.9	172.8	-179.8	0	0	0	0	109.1	N115 C116 H117 T118 V120	C113-N115 PolarHBondContact O-N 3.47Å; C113-C116 WeakPolarHBondContact CB-SG 3.47Å; C113-C116 PolarHBondContact SG-SG 3.46Å; C113-H117 VanDerWaalsContact O-CA 3.25Å; C113-H117 WeakPolarHBondContact O-CA 3.5Å; C113-H117 PolarHBondContact O-N 3.24Å; C113-T118 PolarHBondContact N-O 2.84Å; C113-V120 HydrophobicContact CB-CG2 3.64Å
114	P	31.4	Very low	36.7	Very low	78 Å²	78	74.3 Å²	74.3	51%	0.506	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.7	179.9	27	-33.8	0	0	0	112.6	Y112 H117	Y112-P114 VanDerWaalsContact O-CD 3.29Å; Y112-P114 WeakPolarHBondContact O-CD 3.35Å; P114-H117 PolarHBondContact O-CE1 2.94Å
115	N	36.6	Very low	37.2	Very low	146 Å²	146	74.1 Å²	74.1	78%	0.781	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-38.9	-176.8	-76.6	12.6	0	0	0	113.4	C113	C113-N115 PolarHBondContact O-N 3.47Å
116	C	40.2	Very low	37.9	Very low	50 Å²	50	73.9 Å²	73.9	34%	0.338	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-1.4	179.1	54.8	0	0	0	0	113.1	C113 T118 M192	C113-C116 WeakPolarHBondContact CB-SG 3.47Å; C113-C116 PolarHBondContact SG-SG 3.46Å; C116-T118 PolarHBondContact O-N 3.45Å; C116-T118 PolarHBondContact SG-OG1 2.86Å; C116-M192 HydrophobicContact CB-SD 4.06Å; C116-M192 PolarHBondContact SG-SD 3.31Å
117	H	36.4	Very low	38.2	Very low	132 Å²	132	73 Å²	73	61%	0.611	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	28.5	-179.9	-63.1	-73.2	0	0	0	114.1	Y112 C113 P114	Y112-H117 AromaticContact CE1-ND1 3.97Å; Y112-H117 HydrophobicContact CE2-CB 4.35Å; Y112-H117 VanDerWaalsContact CE2-O 3.28Å; Y112-H117 WeakPolarHBondContact CE2-O 3.42Å; Y112-H117 VanDerWaalsContact CZ-CA 3.49Å; Y112-H117 AromaticContact CZ-ND1 3.65Å; Y112-H117 WeakPolarHBondContact OH-CA 3.45Å; Y112-H117 WeakPolarHBondContact OH-CB 3.36Å; Y112-H117 VanDerWaalsContact OH-CG 3.31Å; Y112-H117 PolarHBondContact OH-ND1 3.26Å; C113-H117 VanDerWaalsContact O-CA 3.25Å; C113-H117 WeakPolarHBondContact O-CA 3.5Å; C113-H117 PolarHBondContact O-N 3.24Å; P114-H117 PolarHBondContact O-CE1 2.94Å
118	T	40.1	Very low	38.2	Very low	48 Å²	48	69.7 Å²	69.7	29%	0.294	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154	178.8	55.3	0	0	0	0	112.5	C113 C116	C113-T118 PolarHBondContact N-O 2.84Å; C116-T118 PolarHBondContact O-N 3.45Å; C116-T118 PolarHBondContact SG-OG1 2.86Å
119	N	44.5	Very low	37.8	Very low	67 Å²	67	74 Å²	74	36%	0.358	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128	172.6	-70.4	-16.3	0	0	0	109.5	I110 F199	I110-N119 HydrophobicContact CG2-CB 3.59Å; N119-F199 HydrophobicContact CB-CD2 4.49Å; N119-F199 HydrophobicContact CB-CE2 3.96Å
120	V	43.1	Very low	37.4	Very low	11 Å²	11	73.8 Å²	73.8	7%	0.067	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.7	-178.1	-157.9	0	0	0	0	108.8	A111 C113 F191	A111-V120 PolarHBondContact N-O 2.92Å; A111-V120 WeakPolarHBondContact O-CA 3.38Å; A111-V120 WeakPolarHBondContact O-CB 3.38Å; A111-V120 PolarHBondContact O-N 2.87Å; C113-V120 HydrophobicContact CB-CG2 3.64Å; V120-F191 VanDerWaalsContact CG1-C 3.47Å; V120-F191 WeakPolarHBondContact CG1-O 3.39Å
121	V	49.2	Very low	36.8	Very low	3 Å²	3	77.3 Å²	77.3	2%	0.018	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130	-178.8	164.8	0	0	0	0	108.5	V123 Y158 I165 F191	V121-V123 HydrophobicContact CG1-CG2 4.17Å; V121-Y158 HydrophobicContact CB-CD2 4.46Å; V121-Y158 HydrophobicContact CB-CE2 4.27Å; V121-Y158 HydrophobicContact CG1-CD2 3.5Å; V121-Y158 HydrophobicContact CG1-CE2 3.62Å; V121-Y158 HydrophobicContact CG2-CD2 4.24Å; V121-Y158 HydrophobicContact CG2-CE2 4.03Å; V121-I165 HydrophobicContact CB-CD1 3.63Å; V121-I165 HydrophobicContact CB-CG1 4.45Å; V121-I165 HydrophobicContact CG1-CD1 3.76Å; V121-I165 HydrophobicContact CG1-CG1 4.39Å; V121-I165 HydrophobicContact CG2-CD1 4.02Å; V121-I165 HydrophobicContact CG2-CG1 4.4Å; V121-F191 PolarHBondContact O-N 3.42Å; V121-F191 VanDerWaalsContact O-N 3.13Å
122	P	40.1	Very low	36.3	Very low	4 Å²	4	83.3 Å²	83.3	3%	0.026	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.4	169.9	29	-34.4	0	0	0	109.5	P109 V157 P188 Y190	P109-P122 HydrophobicContact CG-CG 4.31Å; P109-P122 WeakPolarHBondContact O-CD 3.46Å; P109-P122 WeakPolarHBondContact O-CG 3.11Å; P122-V157 HydrophobicContact CG-CG2 4.27Å; P122-V157 WeakPolarHBondContact O-CG2 3.29Å; P122-P188 HydrophobicContact CB-CB 3.98Å; P122-Y190 HydrophobicContact CB-CD1 4.17Å; P122-Y190 HydrophobicContact CB-CE1 3.93Å
123	V	41.9	Very low	35.9	Very low	5 Å²	5	80.7 Å²	80.7	3%	0.03	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.2	178	-166	0	0	0	0	108.2	V121 E155 L189 F191	V121-V123 HydrophobicContact CG1-CG2 4.17Å; V123-E155 VanDerWaalsContact CG1-C 3.42Å; V123-E155 WeakPolarHBondContact CG1-O 3.11Å; V123-L189 PolarHBondContact N-O 2.63Å; V123-L189 PolarHBondContact O-N 2.7Å; V123-L189 VanDerWaalsContact O-O 3.1Å; V123-F191 HydrophobicContact CB-CD2 3.28Å; V123-F191 HydrophobicContact CB-CE2 3.46Å; V123-F191 VanDerWaalsContact CB-CE2 3.46Å; V123-F191 HydrophobicContact CB-CG 4.27Å; V123-F191 HydrophobicContact CG1-CD2 4.08Å; V123-F191 HydrophobicContact CG1-CE2 3.93Å; V123-F191 HydrophobicContact CG2-CB 3.88Å; V123-F191 HydrophobicContact CG2-CD2 3.17Å; V123-F191 HydrophobicContact CG2-CE2 3.87Å; V123-F191 HydrophobicContact CG2-CG 3.72Å
124	Y	40.3	Very low	35.5	Very low	130 Å²	130	86.9 Å²	86.9	51%	0.51	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.3	175.8	-62.9	-78.2	0	0	0	109.5	K126 E155 V157 P188	Y124-K126 PolarHBondContact O-N 2.77Å; Y124-E155 PolarHBondContact N-O 3.24Å; Y124-E155 PolarHBondContact O-N 3.21Å; Y124-E155 VanDerWaalsContact O-N 3.09Å; Y124-V157 HydrophobicContact CD2-CG2 3.67Å; Y124-V157 HydrophobicContact CE2-CG2 3.36Å; Y124-P188 HydrophobicContact CD1-CB 4.45Å; Y124-P188 HydrophobicContact CE1-CB 3.82Å
125	E	35.7	Very low	35.2	Very low	91 Å²	91	90.6 Å²	90.6	43%	0.425	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	117	169.5	-171	176.6	-174.1	0	0	108.1	V127 T152 Y154	E125-V127 PolarHBondContact O-N 2.75Å; E125-V127 VanDerWaalsContact O-N 3.08Å; E125-T152 HydrophobicContact CG-CG2 4.35Å; E125-T152 WeakPolarHBondContact OE1-CG2 3.38Å; E125-Y154 HydrophobicContact CB-CD1 4.1Å; E125-Y154 HydrophobicContact CB-CE1 3.77Å; E125-Y154 HydrophobicContact CG-CD1 4.44Å; E125-Y154 HydrophobicContact CG-CE1 3.91Å
126	K	38	Very low	34.8	Very low	96 Å²	96	89.5 Å²	89.5	42%	0.417	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	99.9	172.5	-164.1	178.3	-171.9	157.7	0	107	Y124 I128 V153 E155	Y124-K126 PolarHBondContact O-N 2.77Å; K126-I128 VanDerWaalsContact C-N 3.28Å; K126-I128 PolarHBondContact O-N 3.18Å; K126-V153 WeakPolarHBondContact CB-O 3.43Å; K126-V153 PolarHBondContact N-O 2.8Å; K126-E155 WeakPolarHBondContact CD-OE2 3.18Å; K126-E155 WeakPolarHBondContact CE-OE2 3.25Å; K126-E155 IonicContact NZ-OE2 2.77Å; K126-E155 PolarHBondContact NZ-OE2 3.21Å
127	V	32.3	Very low	34.3	Very low	90 Å²	90	95.3 Å²	95.3	55%	0.545	48%	0.478	S	S	.	.			trans	-60.7	101.2	162.9	-176.9	0	0	0	0	105.9	E125 Y129	E125-V127 PolarHBondContact O-N 2.75Å; E125-V127 VanDerWaalsContact O-N 3.08Å; V127-Y129 HydrophobicContact CB-CD2 4.5Å; V127-Y129 HydrophobicContact CB-CE2 4.21Å; V127-Y129 HydrophobicContact CG1-CD2 4.22Å; V127-Y129 HydrophobicContact CG1-CE1 4.4Å; V127-Y129 HydrophobicContact CG1-CE2 4.01Å; V127-Y129 PolarHBondContact O-N 3.46Å
128	I	30.5	Very low	34	Very low	106 Å²	106	98.5 Å²	98.5	54%	0.544	49%	0.49	S	S	.	.			trans	-68.4	89.7	171.8	-56.1	173.3	0	0	0	104.4	K126 S130 V153	K126-I128 VanDerWaalsContact C-N 3.28Å; K126-I128 PolarHBondContact O-N 3.18Å; I128-S130 PolarHBondContact O-N 3.36Å; I128-V153 HydrophobicContact CD1-CB 4.47Å; I128-V153 HydrophobicContact CD1-CG2 4.08Å
129	Y	26.2	Very low	33.5	Very low	177 Å²	177	101.8 Å²	101.8	69%	0.694	51%	0.51	S	S	*	.			trans	-62.6	92.7	159.2	-69.4	-80.1	0	0	0	105.2	V127 D131 A133	V127-Y129 HydrophobicContact CB-CD2 4.5Å; V127-Y129 HydrophobicContact CB-CE2 4.21Å; V127-Y129 HydrophobicContact CG1-CD2 4.22Å; V127-Y129 HydrophobicContact CG1-CE1 4.4Å; V127-Y129 HydrophobicContact CG1-CE2 4.01Å; V127-Y129 PolarHBondContact O-N 3.46Å; Y129-D131 PolarHBondContact O-N 2.77Å; Y129-A133 HydrophobicContact CD1-CB 4.48Å
130	S	27	Very low	33	Very low	70 Å²	70	103.2 Å²	103.2	49%	0.49	53%	0.525	S	S	.	.			trans	-57	134.6	159.1	56.6	0	0	0	0	105.7	I128 H132 A133	I128-S130 PolarHBondContact O-N 3.36Å; S130-H132 PolarHBondContact O-N 3.13Å; S130-A133 PolarHBondContact O-N 3.48Å
131	D	29.8	Very low	32.3	Very low	148 Å²	148	105.9 Å²	105.9	79%	0.791	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-4.9	-174.5	-70.7	-40.3	0	0	0	113.9	Y129	Y129-D131 PolarHBondContact O-N 2.77Å
132	H	26.7	Very low	31.4	Very low	159 Å²	159	113.6 Å²	113.6	74%	0.736	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-14.4	175.6	-61.8	-39	0	0	0	115.3	S130	S130-H132 PolarHBondContact O-N 3.13Å
133	A	27.3	Very low	30.7	Very low	68 Å²	68	121.2 Å²	121.2	56%	0.562	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-4.8	-177.6	0	0	0	0	0	115.1	Y129 S130 M135	Y129-A133 HydrophobicContact CD1-CB 4.48Å; S130-A133 PolarHBondContact O-N 3.48Å; A133-M135 PolarHBondContact O-N 3.28Å
134	I	28.8	Very low	29.8	Very low	145 Å²	145	129.8 Å²	129.8	74%	0.744	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	0.2	171.6	-55.5	177	0	0	0	111.2	D136	I134-D136 VanDerWaalsContact C-N 3.35Å; I134-D136 PolarHBondContact O-N 3.14Å
135	M	25.6	Very low	29.2	Very low	157 Å²	157	128.9 Å²	128.9	77%	0.773	68%	0.681	S	S	*	*	S	Bend	trans	-76.2	88.8	170.5	-70.4	-67.6	-176.1	0	0	110.7	A133	A133-M135 PolarHBondContact O-N 3.28Å
136	D	27.5	Very low	28.7	Very low	123 Å²	123	133.1 Å²	133.1	66%	0.658	70%	0.701	S	S	*	*			trans	45.4	109.9	137.8	-87.7	-20.2	0	0	0	118.7	I134	I134-D136 VanDerWaalsContact C-N 3.35Å; I134-D136 PolarHBondContact O-N 3.14Å
137	K	29.9	Very low	28.3	Very low	171 Å²	171	134.7 Å²	134.7	74%	0.743	71%	0.713	S	S	*	*			trans	95.3	116.1	140.4	-61.9	162.7	-178.4	163.8	0	117.7
138	K	29.7	Very low	28	Very low	199 Å²	199	134.2 Å²	134.2	87%	0.865	71%	0.711	S	S	*	*			trans	55.6	67.4	136.9	-61.6	-177.4	177.6	-177.1	0	115.2	S140	K138-S140 PolarHBondContact O-N 3.44Å
139	V	30.1	Very low	28	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.715	73%	0.728	S	S	*	*			trans	-84.1	94.1	153.5	-174.2	0	0	0	0	106.9
140	S	32.7	Very low	28.3	Very low	97 Å²	97	135.8 Å²	135.8	68%	0.678	73%	0.728	S	S	*	*			trans	-54.5	139.8	166.5	43.5	0	0	0	0	110.1	K138	K138-S140 PolarHBondContact O-N 3.44Å
141	G	29.1	Very low	28.6	Very low	67 Å²	67	140.2 Å²	140.2	69%	0.691	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	139.7	-178.2	0	0	0	0	0	113.4
142	N	30.2	Very low	28.7	Very low	165 Å²	165	136 Å²	136	88%	0.882	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.7	8.7	162.3	-55.1	-9.1	0	0	0	118.8	M144	N142-M144 PolarHBondContact O-N 2.68Å
143	E	25.6	Very low	29.1	Very low	164 Å²	164	131.9 Å²	131.9	77%	0.766	71%	0.706	S	S	*	*			trans	-84	111.8	159.4	-79.3	-178.2	166.6	0	0	109.3	V145	E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 2.67Å
144	M	23.6	Very low	29.6	Very low	185 Å²	185	131.1 Å²	131.1	91%	0.911	69%	0.689	S	S	*	*			trans	-54.1	97.5	167	-71.1	-105.8	-126.9	0	0	107.4	N142 E146	N142-M144 PolarHBondContact O-N 2.68Å; M144-E146 PolarHBondContact O-N 2.78Å
145	V	27.9	Very low	30	Very low	111 Å²	111	127 Å²	127	67%	0.673	67%	0.667	S	S	*	*			trans	-62.9	104.3	170.6	178.8	0	0	0	0	105.3	E143 I147	E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 2.67Å; V145-I147 PolarHBondContact O-N 3.5Å
146	E	23.4	Very low	30.7	Very low	180 Å²	180	120 Å²	120	84%	0.841	63%	0.633	S	S	*	*			trans	-57.5	97.3	164.1	-74.9	-176.2	161.4	0	0	106.1	M144 P148	M144-E146 PolarHBondContact O-N 2.78Å; E146-P148 WeakPolarHBondContact O-CD 3.39Å
147	I	31.2	Very low	31.4	Very low	129 Å²	129	117 Å²	117	66%	0.662	62%	0.619	S	S	*	*			trans	-60.7	110.7	174.6	-59.3	167.9	0	0	0	104.7	V145 N149	V145-I147 PolarHBondContact O-N 3.5Å; I147-N149 PolarHBondContact O-N 2.65Å
148	P	25.2	Very low	31.8	Very low	80 Å²	80	109.3 Å²	109.3	52%	0.519	59%	0.586	S	S	.	*			trans	-59.4	142.4	175.6	-14	28.3	0	0	0	106.9	E146 E150	E146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-E150 HydrophobicContact CB-CG 4.04Å; P148-E150 PolarHBondContact O-N 2.78Å
149	N	31	Very low	32.2	Very low	166 Å²	166	104.7 Å²	104.7	89%	0.888	57%	0.565	S	S	*	*			trans	-66	41.1	173.8	-77.6	-27.6	0	0	0	112.4	I147 H151	I147-N149 PolarHBondContact O-N 2.65Å; N149-H151 VanDerWaalsContact C-N 3.35Å; N149-H151 PolarHBondContact O-N 3.48Å; N149-H151 VanDerWaalsContact O-N 3.09Å
150	E	31.7	Very low	32.5	Very low	150 Å²	150	106 Å²	106	70%	0.701	57%	0.568	S	S	*	*			trans	-80.6	85.2	173.6	-75.5	-176.8	-177.7	0	0	108.3	P148 T152	P148-E150 HydrophobicContact CB-CG 4.04Å; P148-E150 PolarHBondContact O-N 2.78Å; E150-T152 PolarHBondContact O-N 2.93Å
151	H	34	Very low	32.7	Very low	163 Å²	163	103.4 Å²	103.4	76%	0.755	55%	0.55	S	S	*	*			trans	32.4	70.9	147.7	-62.6	44.5	0	0	0	112.7	N149 V153	N149-H151 VanDerWaalsContact C-N 3.35Å; N149-H151 PolarHBondContact O-N 3.48Å; N149-H151 VanDerWaalsContact O-N 3.09Å; H151-V153 WeakPolarHBondContact O-CG2 3.25Å; H151-V153 PolarHBondContact O-N 2.92Å
152	T	32.8	Very low	33	Very low	60 Å²	60	108.7 Å²	108.7	37%	0.368	56%	0.562	S	S	.	*			trans	-60.4	105.5	175.4	40.7	0	0	0	0	108.2	E125 E150 Y154	E125-T152 HydrophobicContact CG-CG2 4.35Å; E125-T152 WeakPolarHBondContact OE1-CG2 3.38Å; E150-T152 PolarHBondContact O-N 2.93Å; T152-Y154 WeakPolarHBondContact O-CD2 3.37Å; T152-Y154 WeakPolarHBondContact O-CE2 3.49Å; T152-Y154 PolarHBondContact O-N 3.43Å; T152-Y154 VanDerWaalsContact OG1-CE2 3.29Å; T152-Y154 WeakPolarHBondContact OG1-CE2 3.33Å; T152-Y154 PolarHBondContact OG1-OH 3.09Å
153	V	34.1	Very low	33.2	Very low	72 Å²	72	102.8 Å²	102.8	44%	0.436	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	107.1	179.8	179	0	0	0	0	107.2	K126 I128 H151	K126-V153 WeakPolarHBondContact CB-O 3.43Å; K126-V153 PolarHBondContact N-O 2.8Å; I128-V153 HydrophobicContact CD1-CB 4.47Å; I128-V153 HydrophobicContact CD1-CG2 4.08Å; H151-V153 WeakPolarHBondContact O-CG2 3.25Å; H151-V153 PolarHBondContact O-N 2.92Å
154	Y	37.4	Very low	33.7	Very low	52 Å²	52	97 Å²	97	20%	0.204	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.1	178.5	-66.3	-82.5	0	0	0	110.4	E125 T152 L189 F191	E125-Y154 HydrophobicContact CB-CD1 4.1Å; E125-Y154 HydrophobicContact CB-CE1 3.77Å; E125-Y154 HydrophobicContact CG-CD1 4.44Å; E125-Y154 HydrophobicContact CG-CE1 3.91Å; T152-Y154 WeakPolarHBondContact O-CD2 3.37Å; T152-Y154 WeakPolarHBondContact O-CE2 3.49Å; T152-Y154 PolarHBondContact O-N 3.43Å; T152-Y154 VanDerWaalsContact OG1-CE2 3.29Å; T152-Y154 WeakPolarHBondContact OG1-CE2 3.33Å; T152-Y154 PolarHBondContact OG1-OH 3.09Å; Y154-L189 HydrophobicContact CE1-CD1 3.93Å; Y154-F191 AromaticContact CD1-CE2 3.75Å; Y154-F191 HydrophobicContact CD1-CE2 3.75Å; Y154-F191 AromaticContact CD1-CZ 3.49Å; Y154-F191 HydrophobicContact CD1-CZ 3.49Å; Y154-F191 VanDerWaalsContact CD1-CZ 3.49Å; Y154-F191 HydrophobicContact CD2-CE1 4.14Å; Y154-F191 AromaticContact CD2-CZ 3.56Å; Y154-F191 HydrophobicContact CD2-CZ 3.56Å; Y154-F191 HydrophobicContact CE1-CE2 4.28Å; Y154-F191 AromaticContact CE1-CZ 3.88Å; Y154-F191 HydrophobicContact CE1-CZ 3.88Å; Y154-F191 AromaticContact CE2-CZ 3.94Å; Y154-F191 HydrophobicContact CE2-CZ 3.94Å; Y154-F191 HydrophobicContact CG-CE1 4.21Å; Y154-F191 AromaticContact CG-CE2 3.91Å; Y154-F191 HydrophobicContact CG-CE2 3.91Å; Y154-F191 AromaticContact CG-CZ 3.31Å; Y154-F191 HydrophobicContact CG-CZ 3.31Å
155	E	36.6	Very low	34.5	Very low	58 Å²	58	89 Å²	89	27%	0.271	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	112.3	-174.9	-171.5	168.1	143.6	0	0	110.3	V123 Y124 K126 V157 K159	V123-E155 VanDerWaalsContact CG1-C 3.42Å; V123-E155 WeakPolarHBondContact CG1-O 3.11Å; Y124-E155 PolarHBondContact N-O 3.24Å; Y124-E155 PolarHBondContact O-N 3.21Å; Y124-E155 VanDerWaalsContact O-N 3.09Å; K126-E155 WeakPolarHBondContact CD-OE2 3.18Å; K126-E155 WeakPolarHBondContact CE-OE2 3.25Å; K126-E155 IonicContact NZ-OE2 2.77Å; K126-E155 PolarHBondContact NZ-OE2 3.21Å; E155-V157 PolarHBondContact O-N 3.22Å; E155-K159 HydrophobicContact CG-CD 3.93Å; E155-K159 VanDerWaalsContact CG-CE 3.44Å; E155-K159 HydrophobicContact CG-CG 4.17Å; E155-K159 WeakPolarHBondContact OE1-CD 3.11Å; E155-K159 WeakPolarHBondContact OE1-CE 3.36Å; E155-K159 IonicContact OE1-NZ 2.63Å; E155-K159 PolarHBondContact OE1-NZ 3.23Å; E155-K159 WeakPolarHBondContact OE2-CE 3.26Å; E155-K159 IonicContact OE2-NZ 2.7Å; E155-K159 PolarHBondContact OE2-NZ 3.08Å
156	S	42.1	Very low	34.9	Very low	9 Å²	9	88.6 Å²	88.6	6%	0.063	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	138.1	177.5	74.1	0	0	0	0	110	Y158 K159	S156-Y158 PolarHBondContact O-N 3.47Å; S156-K159 PolarHBondContact O-N 3.44Å
157	V	40.7	Very low	35.7	Very low	62 Å²	62	84.5 Å²	84.5	38%	0.376	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-26.4	176.1	-176.7	0	0	0	0	111.7	L108 P122 Y124 E155 K159	L108-V157 HydrophobicContact CD2-CG1 4.36Å; P122-V157 HydrophobicContact CG-CG2 4.27Å; P122-V157 WeakPolarHBondContact O-CG2 3.29Å; Y124-V157 HydrophobicContact CD2-CG2 3.67Å; Y124-V157 HydrophobicContact CE2-CG2 3.36Å; E155-V157 PolarHBondContact O-N 3.22Å; V157-K159 PolarHBondContact O-N 3.36Å; V157-K159 VanDerWaalsContact O-N 3.12Å
158	Y	38.5	Very low	35.8	Very low	8 Å²	8	84.9 Å²	84.9	3%	0.031	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	29.8	-172	-69.8	-62.1	0	0	0	114.8	L108 P109 I110 V121 S156 N160 S161 L163 S164	L108-Y158 HydrophobicContact CB-CE1 3.55Å; L108-Y158 WeakPolarHBondContact CB-OH 3.43Å; L108-Y158 HydrophobicContact CD1-CD1 4.05Å; L108-Y158 HydrophobicContact CD1-CE1 3.58Å; L108-Y158 HydrophobicContact CG-CE1 4.07Å; L108-Y158 PolarHBondContact O-OH 3.06Å; P109-Y158 PolarHBondContact O-OH 2.67Å; I110-Y158 WeakPolarHBondContact CG1-OH 3.25Å; V121-Y158 HydrophobicContact CB-CD2 4.46Å; V121-Y158 HydrophobicContact CB-CE2 4.27Å; V121-Y158 HydrophobicContact CG1-CD2 3.5Å; V121-Y158 HydrophobicContact CG1-CE2 3.62Å; V121-Y158 HydrophobicContact CG2-CD2 4.24Å; V121-Y158 HydrophobicContact CG2-CE2 4.03Å; S156-Y158 PolarHBondContact O-N 3.47Å; Y158-N160 PolarHBondContact O-N 3.44Å; Y158-S161 VanDerWaalsContact CB-OG 3.25Å; Y158-S161 WeakPolarHBondContact CB-OG 3.11Å; Y158-S161 PolarHBondContact O-N 3.01Å; Y158-S161 PolarHBondContact O-OG 3.42Å; Y158-L163 HydrophobicContact CD1-CB 3.94Å; Y158-L163 HydrophobicContact CD1-CD1 3.79Å; Y158-L163 HydrophobicContact CD1-CG 4.43Å; Y158-L163 HydrophobicContact CD2-CB 4.03Å; Y158-L163 HydrophobicContact CE1-CB 4.46Å; Y158-L163 HydrophobicContact CE1-CD1 3.6Å; Y158-L163 HydrophobicContact CG-CB 3.71Å; Y158-L163 HydrophobicContact CG-CD1 4.36Å; Y158-S164 VanDerWaalsContact O-CB 3.29Å; Y158-S164 WeakPolarHBondContact O-CB 3.25Å
159	K	39.4	Very low	36.2	Very low	102 Å²	102	84 Å²	84	44%	0.443	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-8.7	-161.5	-124.8	-163.8	179.6	170.7	0	118.6	E155 S156 V157	E155-K159 HydrophobicContact CG-CD 3.93Å; E155-K159 VanDerWaalsContact CG-CE 3.44Å; E155-K159 HydrophobicContact CG-CG 4.17Å; E155-K159 WeakPolarHBondContact OE1-CD 3.11Å; E155-K159 WeakPolarHBondContact OE1-CE 3.36Å; E155-K159 IonicContact OE1-NZ 2.63Å; E155-K159 PolarHBondContact OE1-NZ 3.23Å; E155-K159 WeakPolarHBondContact OE2-CE 3.26Å; E155-K159 IonicContact OE2-NZ 2.7Å; E155-K159 PolarHBondContact OE2-NZ 3.08Å; S156-K159 PolarHBondContact O-N 3.44Å; V157-K159 PolarHBondContact O-N 3.36Å; V157-K159 VanDerWaalsContact O-N 3.12Å
160	N	35.8	Very low	36.3	Very low	145 Å²	145	82.6 Å²	82.6	78%	0.775	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	8.6	173	-67.9	-41.6	0	0	0	113.5	Y158	Y158-N160 PolarHBondContact O-N 3.44Å
161	S	36.7	Very low	36.5	Very low	43 Å²	43	77.5 Å²	77.5	30%	0.301	42%	0.416	S	S	.	.	S	Bend	trans	-94	162	178.6	82.5	0	0	0	0	110.4	Y158 L163 S164	Y158-S161 VanDerWaalsContact CB-OG 3.25Å; Y158-S161 WeakPolarHBondContact CB-OG 3.11Å; Y158-S161 PolarHBondContact O-N 3.01Å; Y158-S161 PolarHBondContact O-OG 3.42Å; S161-L163 PolarHBondContact O-N 3.09Å; S161-L163 VanDerWaalsContact OG-CB 3.31Å; S161-L163 WeakPolarHBondContact OG-CB 3.43Å; S161-L163 PolarHBondContact OG-N 2.83Å; S161-L163 VanDerWaalsContact OG-N 3.09Å; S161-S164 VanDerWaalsContact O-CB 3.32Å; S161-S164 WeakPolarHBondContact O-CB 3.31Å; S161-S164 PolarHBondContact O-N 3.03Å; S161-S164 PolarHBondContact O-OG 3.47Å; S161-S164 VanDerWaalsContact O-OG 3.13Å
162	L	35.1	Very low	36.3	Very low	178 Å²	178	75.3 Å²	75.3	93%	0.932	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-16.6	170	-71.8	162.2	0	0	0	112.9	S164	L162-S164 VanDerWaalsContact C-N 3.34Å
163	L	35.3	Very low	36.5	Very low	42 Å²	42	76.7 Å²	76.7	22%	0.22	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	0.8	175.7	-44.8	172.6	0	0	0	113	I110 Y158 S161 I165 F199	I110-L163 HydrophobicContact CD1-CD1 3.98Å; Y158-L163 HydrophobicContact CD1-CB 3.94Å; Y158-L163 HydrophobicContact CD1-CD1 3.79Å; Y158-L163 HydrophobicContact CD1-CG 4.43Å; Y158-L163 HydrophobicContact CD2-CB 4.03Å; Y158-L163 HydrophobicContact CE1-CB 4.46Å; Y158-L163 HydrophobicContact CE1-CD1 3.6Å; Y158-L163 HydrophobicContact CG-CB 3.71Å; Y158-L163 HydrophobicContact CG-CD1 4.36Å; S161-L163 PolarHBondContact O-N 3.09Å; S161-L163 VanDerWaalsContact OG-CB 3.31Å; S161-L163 WeakPolarHBondContact OG-CB 3.43Å; S161-L163 PolarHBondContact OG-N 2.83Å; S161-L163 VanDerWaalsContact OG-N 3.09Å; L163-I165 PolarHBondContact O-N 3.28Å; L163-F199 HydrophobicContact CD2-CD1 3.94Å; L163-F199 HydrophobicContact CD2-CE1 3.31Å; L163-F199 HydrophobicContact CD2-CZ 4.22Å
164	S	36.1	Very low	36.4	Very low	42 Å²	42	76.4 Å²	76.4	29%	0.294	41%	0.406	S	S	.	.			trans	-61.4	109.3	173	67.1	0	0	0	0	107.9	Y158 S161 L162 D166	Y158-S164 VanDerWaalsContact O-CB 3.29Å; Y158-S164 WeakPolarHBondContact O-CB 3.25Å; S161-S164 VanDerWaalsContact O-CB 3.32Å; S161-S164 WeakPolarHBondContact O-CB 3.31Å; S161-S164 PolarHBondContact O-N 3.03Å; S161-S164 PolarHBondContact O-OG 3.47Å; S161-S164 VanDerWaalsContact O-OG 3.13Å; L162-S164 VanDerWaalsContact C-N 3.34Å; S164-D166 PolarHBondContact O-N 2.86Å
165	I	38.8	Very low	36.1	Very low	17 Å²	17	82.4 Å²	82.4	9%	0.087	44%	0.436	C	S	.	.			trans	-60.4	124.8	173.7	-64.4	172.7	0	0	0	106.6	V121 L163 T167 L197	V121-I165 HydrophobicContact CB-CD1 3.63Å; V121-I165 HydrophobicContact CB-CG1 4.45Å; V121-I165 HydrophobicContact CG1-CD1 3.76Å; V121-I165 HydrophobicContact CG1-CG1 4.39Å; V121-I165 HydrophobicContact CG2-CD1 4.02Å; V121-I165 HydrophobicContact CG2-CG1 4.4Å; L163-I165 PolarHBondContact O-N 3.28Å; I165-T167 PolarHBondContact O-N 3.3Å; I165-L197 HydrophobicContact CG1-CD1 4.3Å
166	D	37.9	Very low	35.9	Very low	103 Å²	103	82.8 Å²	82.8	55%	0.551	44%	0.444	S	S	*	.			trans	-64	104.3	166.6	-161	-22.5	0	0	0	105.6	S164 N168 M169	S164-D166 PolarHBondContact O-N 2.86Å; D166-N168 PolarHBondContact O-N 2.99Å; D166-N168 PolarHBondContact OD1-ND2 2.99Å; D166-M169 HydrophobicContact CB-CG 4.49Å; D166-M169 VanDerWaalsContact O-CG 3.3Å; D166-M169 WeakPolarHBondContact O-CG 3.32Å; D166-M169 PolarHBondContact O-N 3.13Å
167	T	38.6	Very low	35.4	Very low	93 Å²	93	92.3 Å²	92.3	57%	0.571	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-2.3	-173.7	52.2	0	0	0	0	113.2	I165 M169	I165-T167 PolarHBondContact O-N 3.3Å; T167-M169 VanDerWaalsContact C-N 3.29Å
168	N	34.4	Very low	35	Very low	138 Å²	138	97.9 Å²	97.9	74%	0.738	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.6	171.9	-60.6	-43.4	0	0	0	113.5	D166	D166-N168 PolarHBondContact O-N 2.99Å; D166-N168 PolarHBondContact OD1-ND2 2.99Å
169	M	33.2	Very low	34.6	Very low	60 Å²	60	104.2 Å²	104.2	30%	0.296	53%	0.534	S	S	.	.	S	Bend	trans	-78.3	133.5	174.1	-63.2	-101.7	-69.3	0	0	109.8	D166 T167 C171 P193 E195	D166-M169 HydrophobicContact CB-CG 4.49Å; D166-M169 VanDerWaalsContact O-CG 3.3Å; D166-M169 WeakPolarHBondContact O-CG 3.32Å; D166-M169 PolarHBondContact O-N 3.13Å; T167-M169 VanDerWaalsContact C-N 3.29Å; M169-C171 PolarHBondContact O-N 3.12Å; M169-C171 PolarHBondContact O-SG 3.49Å; M169-P193 HydrophobicContact CE-CB 4.35Å; M169-E195 HydrophobicContact CE-CB 4.09Å
170	D	33.2	Very low	34.1	Very low	138 Å²	138	107.2 Å²	107.2	74%	0.738	55%	0.55	S	S	*	.			trans	-61.8	120.1	167.4	-65.8	-35.5	0	0	0	108.1	I194	D170-I194 HydrophobicContact CB-CD1 3.79Å; D170-I194 VanDerWaalsContact O-CD1 3.25Å; D170-I194 WeakPolarHBondContact O-CD1 2.97Å; D170-I194 VanDerWaalsContact O-CG1 3.26Å; D170-I194 WeakPolarHBondContact O-CG1 3.41Å
171	C	35.8	Very low	33.6	Very low	42 Å²	42	106.6 Å²	106.6	28%	0.284	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.3	143.1	-177.3	-61.3	0	0	0	0	109.9	M169 F191	M169-C171 PolarHBondContact O-N 3.12Å; M169-C171 PolarHBondContact O-SG 3.49Å; C171-F191 HydrophobicContact CB-CD1 3.84Å
172	E	30.5	Very low	33.3	Very low	118 Å²	118	108.1 Å²	108.1	55%	0.551	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.1	132.7	171.6	-68.6	-177.1	175.3	0	0	109.9	M192 I194	E172-M192 PolarHBondContact N-O 2.87Å; E172-M192 PolarHBondContact O-N 2.99Å; E172-I194 HydrophobicContact CG-CD1 4.2Å; E172-I194 HydrophobicContact CG-CG1 4.26Å
173	L	36.1	Very low	33.1	Very low	88 Å²	88	105.3 Å²	105.3	46%	0.461	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.8	169.8	-79.1	164.4	0	0	0	108.4	L189 F191	L173-L189 HydrophobicContact CD2-CB 4.05Å; L173-L189 HydrophobicContact CD2-CD2 4.43Å; L173-F191 HydrophobicContact CD1-CZ 4.47Å; L173-F191 HydrophobicContact CD2-CD1 4.16Å; L173-F191 HydrophobicContact CD2-CD2 4.04Å; L173-F191 HydrophobicContact CD2-CE1 3.69Å; L173-F191 HydrophobicContact CD2-CE2 3.57Å; L173-F191 HydrophobicContact CD2-CG 4.35Å; L173-F191 HydrophobicContact CD2-CZ 3.39Å; L173-F191 HydrophobicContact CG-CE1 3.93Å; L173-F191 HydrophobicContact CG-CZ 4.02Å
174	I	31.8	Very low	33	Very low	66 Å²	66	112.1 Å²	112.1	34%	0.338	58%	0.575	S	S	.	*			trans	-109.4	115.7	176.8	-58	-177.8	0	0	0	109.2	C176 M192	I174-C176 PolarHBondContact O-N 2.74Å; I174-M192 HydrophobicContact CD1-CB 3.66Å; I174-M192 HydrophobicContact CD1-CE 3.48Å; I174-M192 VanDerWaalsContact CD1-CE 3.48Å; I174-M192 HydrophobicContact CD1-CG 4.16Å; I174-M192 HydrophobicContact CD1-SD 3.42Å; I174-M192 WeakPolarHBondContact CD1-SD 3.45Å; I174-M192 HydrophobicContact CG1-CB 4.25Å
175	E	31.5	Very low	33	Very low	179 Å²	179	118.5 Å²	118.5	84%	0.836	61%	0.605	S	S	*	*			trans	-68.9	110.2	167.6	-71.1	-171.1	160.1	0	0	109.7	K177	E175-K177 PolarHBondContact O-N 3.01Å
176	C	33.1	Very low	32.8	Very low	65 Å²	65	124.6 Å²	124.6	44%	0.439	63%	0.633	S	S	.	*			trans	-75.7	105.6	174.5	-73	0	0	0	0	109.9	I174 E178 F179	I174-C176 PolarHBondContact O-N 2.74Å; C176-E178 PolarHBondContact O-N 2.95Å; C176-E178 VanDerWaalsContact O-N 3.09Å; C176-F179 PolarHBondContact O-N 3.5Å
177	K	30.5	Very low	32.5	Very low	210 Å²	210	122.5 Å²	122.5	91%	0.913	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-21.2	-174.6	-70.7	-175	177.9	179.8	0	115.6	E175	E175-K177 PolarHBondContact O-N 3.01Å
178	E	31.9	Very low	32.4	Very low	178 Å²	178	119.3 Å²	119.3	83%	0.832	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	4.1	-171.2	-65.8	-172.5	170.2	0	0	114.5	C176 Q180	C176-E178 PolarHBondContact O-N 2.95Å; C176-E178 VanDerWaalsContact O-N 3.09Å; E178-Q180 PolarHBondContact O-N 3.26Å
179	F	30.4	Very low	32.7	Very low	141 Å²	141	116.2 Å²	116.2	62%	0.618	59%	0.586	S	S	*	*	S	Bend	trans	-86.8	116.1	174.1	-125.4	-98.2	0	0	0	110.4	C176 L187	C176-F179 PolarHBondContact O-N 3.5Å; F179-L187 HydrophobicContact CD1-CD2 4.36Å
180	Q	28.6	Very low	33	Very low	165 Å²	165	115.9 Å²	115.9	77%	0.771	58%	0.581	S	S	*	*			trans	-54.2	144.5	176.7	-75	-173.9	-7.9	0	0	111	E178 V182	E178-Q180 PolarHBondContact O-N 3.26Å; Q180-V182 PolarHBondContact O-N 3.26Å
181	P	27.1	Very low	33.3	Very low	132 Å²	132	110.1 Å²	110.1	86%	0.857	55%	0.55	S	S	*	.			trans	-69.6	97.7	-171.4	28.8	-34.5	0	0	0	110.7
182	V	28.9	Very low	33.1	Very low	76 Å²	76	110 Å²	110	46%	0.461	55%	0.545	S	S	.	.			trans	-90.5	147.6	157.6	-174.6	0	0	0	0	106.9	Q180 K184 L187	Q180-V182 PolarHBondContact O-N 3.26Å; V182-K184 PolarHBondContact O-N 3.41Å; V182-K184 VanDerWaalsContact O-N 3.12Å; V182-L187 HydrophobicContact CB-CD1 4.44Å; V182-L187 HydrophobicContact CB-CD2 4.03Å; V182-L187 HydrophobicContact CB-CG 4.2Å; V182-L187 WeakPolarHBondContact O-CD1 3.29Å
183	D	32.3	Very low	33.4	Very low	118 Å²	118	105 Å²	105	63%	0.631	52%	0.523	S	S	*	.			trans	-38.6	120.2	-178.4	-97.1	-34.8	0	0	0	111.5	L185 Q186	D183-L185 PolarHBondContact O-N 3.38Å; D183-Q186 HydrophobicContact CB-CG 4.48Å; D183-Q186 PolarHBondContact O-N 3.21Å
184	K	31.7	Very low	33.2	Very low	185 Å²	185	105.3 Å²	105.3	80%	0.804	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-53	-28.4	-173.8	-73.2	-173.6	175	-170.6	0	113.2	V182 Q186	V182-K184 PolarHBondContact O-N 3.41Å; V182-K184 VanDerWaalsContact O-N 3.12Å; K184-Q186 PolarHBondContact O-N 2.98Å
185	L	36.1	Very low	33.2	Very low	177 Å²	177	108.5 Å²	108.5	93%	0.927	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-69.7	-14.8	177.7	-67.7	169.7	0	0	0	113.9	D183	D183-L185 PolarHBondContact O-N 3.38Å
186	Q	34.7	Very low	33.1	Very low	144 Å²	144	105.2 Å²	105.2	67%	0.673	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-110.4	-6.9	-178.1	-61.9	-175.7	10.6	0	0	113.2	D183 K184	D183-Q186 HydrophobicContact CB-CG 4.48Å; D183-Q186 PolarHBondContact O-N 3.21Å; K184-Q186 PolarHBondContact O-N 2.98Å
187	L	32.7	Very low	33.2	Very low	60 Å²	60	104.1 Å²	104.1	31%	0.314	52%	0.522	S	S	.	.	S	Bend	trans	-85.7	123.8	-177	-76.5	171.8	0	0	0	110.9	F179 V182 L189	F179-L187 HydrophobicContact CD1-CD2 4.36Å; V182-L187 HydrophobicContact CB-CD1 4.44Å; V182-L187 HydrophobicContact CB-CD2 4.03Å; V182-L187 HydrophobicContact CB-CG 4.2Å; V182-L187 WeakPolarHBondContact O-CD1 3.29Å; L187-L189 PolarHBondContact O-N 2.77Å
188	P	36.9	Very low	33.1	Very low	26 Å²	26	98.9 Å²	98.9	17%	0.169	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-62.5	128.1	168.3	24.7	-30	0	0	0	109	P122 Y124 Y190	P122-P188 HydrophobicContact CB-CB 3.98Å; Y124-P188 HydrophobicContact CD1-CB 4.45Å; Y124-P188 HydrophobicContact CE1-CB 3.82Å; P188-Y190 HydrophobicContact CG-CE2 4.3Å; P188-Y190 WeakPolarHBondContact O-CD2 3.34Å; P188-Y190 WeakPolarHBondContact O-CE2 3.11Å
189	L	39	Very low	33.1	Very low	73 Å²	73	93.3 Å²	93.3	38%	0.382	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.7	170.7	-71.3	162.2	0	0	0	107.9	V123 Y154 L173 L187 F191	V123-L189 PolarHBondContact N-O 2.63Å; V123-L189 PolarHBondContact O-N 2.7Å; V123-L189 VanDerWaalsContact O-O 3.1Å; Y154-L189 HydrophobicContact CE1-CD1 3.93Å; L173-L189 HydrophobicContact CD2-CB 4.05Å; L173-L189 HydrophobicContact CD2-CD2 4.43Å; L187-L189 PolarHBondContact O-N 2.77Å; L189-F191 HydrophobicContact CB-CE2 4.14Å
190	Y	39.6	Very low	32.9	Very low	53 Å²	53	91 Å²	91	21%	0.208	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.3	-179	-67.7	-82.1	0	0	0	109.4	A111 P122 P188	A111-Y190 HydrophobicContact CB-CD1 3.87Å; A111-Y190 HydrophobicContact CB-CE1 3.62Å; P122-Y190 HydrophobicContact CB-CD1 4.17Å; P122-Y190 HydrophobicContact CB-CE1 3.93Å; P188-Y190 HydrophobicContact CG-CE2 4.3Å; P188-Y190 WeakPolarHBondContact O-CD2 3.34Å; P188-Y190 WeakPolarHBondContact O-CE2 3.11Å
191	F	40	Very low	32.8	Very low	17 Å²	17	89.2 Å²	89.2	8%	0.075	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.8	-177.9	-80.3	-100.9	0	0	0	110.9	V120 V121 V123 Y154 C171 L173 L189	V120-F191 VanDerWaalsContact CG1-C 3.47Å; V120-F191 WeakPolarHBondContact CG1-O 3.39Å; V121-F191 PolarHBondContact O-N 3.42Å; V121-F191 VanDerWaalsContact O-N 3.13Å; V123-F191 HydrophobicContact CB-CD2 3.28Å; V123-F191 HydrophobicContact CB-CE2 3.46Å; V123-F191 VanDerWaalsContact CB-CE2 3.46Å; V123-F191 HydrophobicContact CB-CG 4.27Å; V123-F191 HydrophobicContact CG1-CD2 4.08Å; V123-F191 HydrophobicContact CG1-CE2 3.93Å; V123-F191 HydrophobicContact CG2-CB 3.88Å; V123-F191 HydrophobicContact CG2-CD2 3.17Å; V123-F191 HydrophobicContact CG2-CE2 3.87Å; V123-F191 HydrophobicContact CG2-CG 3.72Å; Y154-F191 AromaticContact CD1-CE2 3.75Å; Y154-F191 HydrophobicContact CD1-CE2 3.75Å; Y154-F191 AromaticContact CD1-CZ 3.49Å; Y154-F191 HydrophobicContact CD1-CZ 3.49Å; Y154-F191 VanDerWaalsContact CD1-CZ 3.49Å; Y154-F191 HydrophobicContact CD2-CE1 4.14Å; Y154-F191 AromaticContact CD2-CZ 3.56Å; Y154-F191 HydrophobicContact CD2-CZ 3.56Å; Y154-F191 HydrophobicContact CE1-CE2 4.28Å; Y154-F191 AromaticContact CE1-CZ 3.88Å; Y154-F191 HydrophobicContact CE1-CZ 3.88Å; Y154-F191 AromaticContact CE2-CZ 3.94Å; Y154-F191 HydrophobicContact CE2-CZ 3.94Å; Y154-F191 HydrophobicContact CG-CE1 4.21Å; Y154-F191 AromaticContact CG-CE2 3.91Å; Y154-F191 HydrophobicContact CG-CE2 3.91Å; Y154-F191 AromaticContact CG-CZ 3.31Å; Y154-F191 HydrophobicContact CG-CZ 3.31Å; C171-F191 HydrophobicContact CB-CD1 3.84Å; L173-F191 HydrophobicContact CD1-CZ 4.47Å; L173-F191 HydrophobicContact CD2-CD1 4.16Å; L173-F191 HydrophobicContact CD2-CD2 4.04Å; L173-F191 HydrophobicContact CD2-CE1 3.69Å; L173-F191 HydrophobicContact CD2-CE2 3.57Å; L173-F191 HydrophobicContact CD2-CG 4.35Å; L173-F191 HydrophobicContact CD2-CZ 3.39Å; L173-F191 HydrophobicContact CG-CE1 3.93Å; L173-F191 HydrophobicContact CG-CZ 4.02Å; L189-F191 HydrophobicContact CB-CE2 4.14Å
192	M	32.7	Very low	32.8	Very low	39 Å²	39	88.6 Å²	88.6	19%	0.192	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.4	170	-166.2	-178.8	78.9	0	0	108.9	C116 E172 I174	C116-M192 HydrophobicContact CB-SD 4.06Å; C116-M192 PolarHBondContact SG-SD 3.31Å; E172-M192 PolarHBondContact N-O 2.87Å; E172-M192 PolarHBondContact O-N 2.99Å; I174-M192 HydrophobicContact CD1-CB 3.66Å; I174-M192 HydrophobicContact CD1-CE 3.48Å; I174-M192 VanDerWaalsContact CD1-CE 3.48Å; I174-M192 HydrophobicContact CD1-CG 4.16Å; I174-M192 HydrophobicContact CD1-SD 3.42Å; I174-M192 WeakPolarHBondContact CD1-SD 3.45Å; I174-M192 HydrophobicContact CG1-CB 4.25Å
193	P	36.8	Very low	32.6	Very low	13 Å²	13	89.6 Å²	89.6	8%	0.084	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.9	175	31.2	-34.9	0	0	0	109.3	M169 E195 L197	M169-P193 HydrophobicContact CE-CB 4.35Å; P193-E195 VanDerWaalsContact C-N 3.28Å; P193-E195 WeakPolarHBondContact CB-O 3.3Å; P193-E195 PolarHBondContact O-N 2.85Å; P193-L197 HydrophobicContact CB-CD1 4.48Å; P193-L197 HydrophobicContact CB-CG 4.14Å; P193-L197 HydrophobicContact CG-CD1 3.83Å; P193-L197 HydrophobicContact CG-CG 3.73Å
194	I	31.3	Very low	32.2	Very low	95 Å²	95	96 Å²	96	49%	0.487	50%	0.498	S	S	.	.	S	Bend	trans	-64.1	-37.9	179.4	-63.6	174.5	0	0	0	110.4	D170 E172	D170-I194 HydrophobicContact CB-CD1 3.79Å; D170-I194 VanDerWaalsContact O-CD1 3.25Å; D170-I194 WeakPolarHBondContact O-CD1 2.97Å; D170-I194 VanDerWaalsContact O-CG1 3.26Å; D170-I194 WeakPolarHBondContact O-CG1 3.41Å; E172-I194 HydrophobicContact CG-CD1 4.2Å; E172-I194 HydrophobicContact CG-CG1 4.26Å
195	E	30.7	Very low	32	Very low	133 Å²	133	94.6 Å²	94.6	62%	0.621	49%	0.492	S	S	*	.	S	Bend	trans	-93.1	132.9	170.1	-64.2	-173	170	0	0	109.3	M169 P193 L197	M169-E195 HydrophobicContact CE-CB 4.09Å; P193-E195 VanDerWaalsContact C-N 3.28Å; P193-E195 WeakPolarHBondContact CB-O 3.3Å; P193-E195 PolarHBondContact O-N 2.85Å; E195-L197 PolarHBondContact O-N 2.84Å
196	P	31	Very low	31.5	Very low	109 Å²	109	90 Å²	90	71%	0.708	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-55.5	116.2	175.4	22.8	-31.2	0	0	0	107.5	A198	P196-A198 PolarHBondContact O-N 2.81Å
197	L	34	Very low	31	Very low	43 Å²	43	88 Å²	88	23%	0.225	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-48	119.9	169	-78.5	165.1	0	0	0	105.1	I165 P193 E195 F199	I165-L197 HydrophobicContact CG1-CD1 4.3Å; P193-L197 HydrophobicContact CB-CD1 4.48Å; P193-L197 HydrophobicContact CB-CG 4.14Å; P193-L197 HydrophobicContact CG-CD1 3.83Å; P193-L197 HydrophobicContact CG-CG 3.73Å; E195-L197 PolarHBondContact O-N 2.84Å; L197-F199 HydrophobicContact CB-CD2 3.78Å; L197-F199 HydrophobicContact CB-CE1 4.25Å; L197-F199 HydrophobicContact CB-CE2 3.43Å; L197-F199 VanDerWaalsContact CB-CE2 3.43Å; L197-F199 HydrophobicContact CB-CG 4.38Å; L197-F199 HydrophobicContact CB-CZ 3.7Å; L197-F199 HydrophobicContact CD1-CE1 4.36Å; L197-F199 HydrophobicContact CD1-CE2 3.73Å; L197-F199 HydrophobicContact CD1-CZ 3.45Å; L197-F199 VanDerWaalsContact CD1-CZ 3.45Å; L197-F199 HydrophobicContact CG-CE2 4.22Å; L197-F199 HydrophobicContact CG-CZ 4.18Å; L197-F199 PolarHBondContact O-N 3.42Å
198	A	29.5	Very low	30.7	Very low	99 Å²	99	89.3 Å²	89.3	82%	0.818	48%	0.483	S	S	*	.			trans	-67.8	66.6	172.4	0	0	0	0	0	107.5	P196 S200	P196-A198 PolarHBondContact O-N 2.81Å; A198-S200 PolarHBondContact O-N 2.94Å
199	F	31.7	Very low	30.3	Very low	61 Å²	61	97 Å²	97	27%	0.268	51%	0.514	S	S	.	.			trans	-60.6	84.4	146.8	-55.9	-58.1	0	0	0	102.8	N119 L163 L197 T201	N119-F199 HydrophobicContact CB-CD2 4.49Å; N119-F199 HydrophobicContact CB-CE2 3.96Å; L163-F199 HydrophobicContact CD2-CD1 3.94Å; L163-F199 HydrophobicContact CD2-CE1 3.31Å; L163-F199 HydrophobicContact CD2-CZ 4.22Å; L197-F199 HydrophobicContact CB-CD2 3.78Å; L197-F199 HydrophobicContact CB-CE1 4.25Å; L197-F199 HydrophobicContact CB-CE2 3.43Å; L197-F199 VanDerWaalsContact CB-CE2 3.43Å; L197-F199 HydrophobicContact CB-CG 4.38Å; L197-F199 HydrophobicContact CB-CZ 3.7Å; L197-F199 HydrophobicContact CD1-CE1 4.36Å; L197-F199 HydrophobicContact CD1-CE2 3.73Å; L197-F199 HydrophobicContact CD1-CZ 3.45Å; L197-F199 VanDerWaalsContact CD1-CZ 3.45Å; L197-F199 HydrophobicContact CG-CE2 4.22Å; L197-F199 HydrophobicContact CG-CZ 4.18Å; L197-F199 PolarHBondContact O-N 3.42Å; F199-T201 VanDerWaalsContact C-N 3.3Å; F199-T201 PolarHBondContact O-N 2.92Å
200	S	26.6	Very low	29.8	Very low	94 Å²	94	99.8 Å²	99.8	66%	0.657	53%	0.529	S	S	*	.			trans	-39.6	108.5	164.6	51.9	0	0	0	0	104.1	A198 I202	A198-S200 PolarHBondContact O-N 2.94Å; S200-I202 VanDerWaalsContact C-N 3.27Å; S200-I202 PolarHBondContact O-N 3.03Å
201	T	25.8	Very low	29.1	Very low	126 Å²	126	102.3 Å²	102.3	77%	0.773	55%	0.546	S	S	*	.			trans	-25.5	96.3	-174.6	46.3	0	0	0	0	107.9	F199 D203	F199-T201 VanDerWaalsContact C-N 3.3Å; F199-T201 PolarHBondContact O-N 2.92Å; T201-D203 PolarHBondContact O-N 3.09Å
202	I	26.3	Very low	28.4	Very low	119 Å²	119	104.3 Å²	104.3	61%	0.61	56%	0.562	S	S	*	*			trans	-70.4	91	171.2	-63.8	176.8	0	0	0	99	S200 R204	S200-I202 VanDerWaalsContact C-N 3.27Å; S200-I202 PolarHBondContact O-N 3.03Å; I202-R204 PolarHBondContact O-N 3.46Å
203	D	25.1	Very low	28.2	Very low	97 Å²	97	110.6 Å²	110.6	52%	0.519	59%	0.588	S	S	.	*			trans	-37.3	113.6	165.6	-117.1	-6.9	0	0	0	102.1	T201 K205	T201-D203 PolarHBondContact O-N 3.09Å; D203-K205 HydrophobicContact CB-CB 4.35Å; D203-K205 HydrophobicContact CB-CD 4.13Å; D203-K205 HydrophobicContact CB-CG 4.01Å; D203-K205 PolarHBondContact O-N 3.45Å; D203-K205 VanDerWaalsContact OD2-CE 3.25Å; D203-K205 WeakPolarHBondContact OD2-CE 3.01Å; D203-K205 IonicContact OD2-NZ 3.46Å; D203-K205 PolarHBondContact OD2-NZ 3.24Å
204	R	25.4	Very low	27.6	Very low	252 Å²	252	114 Å²	114	95%	0.951	61%	0.609	S	S	*	*			trans	-64.6	32.1	170.9	-69.5	-178	175.9	175.9	-1.9	110.1	I202 A206	I202-R204 PolarHBondContact O-N 3.46Å; R204-A206 PolarHBondContact O-N 3.43Å
205	K	26.7	Very low	27.3	Very low	156 Å²	156	114 Å²	114	68%	0.678	61%	0.613	S	S	*	*			trans	-47	103.7	147.1	-75.8	176.5	-174.7	167.5	0	103.6	D203 I207	D203-K205 HydrophobicContact CB-CB 4.35Å; D203-K205 HydrophobicContact CB-CD 4.13Å; D203-K205 HydrophobicContact CB-CG 4.01Å; D203-K205 PolarHBondContact O-N 3.45Å; D203-K205 VanDerWaalsContact OD2-CE 3.25Å; D203-K205 WeakPolarHBondContact OD2-CE 3.01Å; D203-K205 IonicContact OD2-NZ 3.46Å; D203-K205 PolarHBondContact OD2-NZ 3.24Å; K205-I207 PolarHBondContact O-N 3.03Å
206	A	26.3	Very low	27	Very low	80 Å²	80	116.3 Å²	116.3	66%	0.661	62%	0.617	S	S	*	*			trans	-31.3	110.8	170.8	0	0	0	0	0	107	R204 V208	R204-A206 PolarHBondContact O-N 3.43Å; A206-V208 PolarHBondContact O-N 2.82Å
207	I	24	Very low	26.7	Very low	104 Å²	104	116.9 Å²	116.9	53%	0.533	61%	0.614	S	S	.	*			trans	-64.2	91.4	165.2	-62.4	172.2	0	0	0	101.7	K205 F209 C212	K205-I207 PolarHBondContact O-N 3.03Å; I207-F209 PolarHBondContact O-N 3.17Å; I207-C212 WeakPolarHBondContact CG2-SG 3.43Å
208	V	25	Very low	26.3	Very low	86 Å²	86	123 Å²	123	52%	0.521	64%	0.642	S	S	.	*			trans	-60.6	122.4	171	178.4	0	0	0	0	103	A206 D210 D211	A206-V208 PolarHBondContact O-N 2.82Å; V208-D210 PolarHBondContact O-N 2.98Å; V208-D211 PolarHBondContact O-N 2.79Å
209	F	28.5	Very low	26.3	Very low	188 Å²	188	124.5 Å²	124.5	83%	0.825	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.8	-18.6	-168.1	-89.8	-93	0	0	0	114.9	I207	I207-F209 PolarHBondContact O-N 3.17Å
210	D	29.5	Very low	26.1	Very low	131 Å²	131	125.3 Å²	125.3	70%	0.701	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-30.7	176.1	-67.4	-30.1	0	0	0	113.8	V208 C212	V208-D210 PolarHBondContact O-N 2.98Å; D210-C212 VanDerWaalsContact C-N 3.34Å; D210-C212 PolarHBondContact O-N 3.48Å
211	D	24.6	Very low	26.1	Very low	106 Å²	106	125.6 Å²	125.6	57%	0.567	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-15.3	-176.5	-72.3	-15.4	0	0	0	113.3	V208 K213 T214	V208-D211 PolarHBondContact O-N 2.79Å; D211-K213 PolarHBondContact O-N 3.08Å; D211-T214 PolarHBondContact O-N 2.89Å; D211-T214 PolarHBondContact O-OG1 3.24Å
212	C	24.8	Very low	26.2	Very low	59 Å²	59	127.1 Å²	127.1	40%	0.399	66%	0.664	S	S	.	*	H	α-helix	trans	-67.1	-24.2	175.5	-84	0	0	0	0	112.9	I207 D210 T214 Y216	I207-C212 WeakPolarHBondContact CG2-SG 3.43Å; D210-C212 VanDerWaalsContact C-N 3.34Å; D210-C212 PolarHBondContact O-N 3.48Å; C212-T214 VanDerWaalsContact C-N 3.35Å; C212-Y216 WeakPolarHBondContact O-CD2 3.45Å
213	K	28.2	Very low	26.4	Very low	172 Å²	172	129.2 Å²	129.2	75%	0.748	68%	0.676	S	S	*	*	H	α-helix	trans	-67.9	-35	179.4	-95.2	-179.7	176.3	177.4	0	112.5	D211	D211-K213 PolarHBondContact O-N 3.08Å
214	T	25.4	Very low	26.5	Very low	85 Å²	85	132.9 Å²	132.9	52%	0.521	69%	0.69	S	S	.	*	H	α-helix	trans	-78.5	-27.9	-171.9	29.7	0	0	0	0	114.8	D211 C212 Y216	D211-T214 PolarHBondContact O-N 2.89Å; D211-T214 PolarHBondContact O-OG1 3.24Å; C212-T214 VanDerWaalsContact C-N 3.35Å; T214-Y216 PolarHBondContact O-N 3.07Å
215	V	25.5	Very low	26.6	Very low	94 Å²	94	127.9 Å²	127.9	57%	0.57	68%	0.683	S	S	*	*	H	α-helix	trans	-73.6	-28.5	-175.9	-175.1	0	0	0	0	112.2
216	Y	24.3	Very low	26.6	Very low	182 Å²	182	126 Å²	126	71%	0.714	69%	0.689	S	S	*	*	H	α-helix	trans	-81.1	-31.6	179.7	-72.9	-79.7	0	0	0	113.1	C212 T214 V219	C212-Y216 WeakPolarHBondContact O-CD2 3.45Å; T214-Y216 PolarHBondContact O-N 3.07Å; Y216-V219 PolarHBondContact O-N 3.4Å
217	D	24.3	Very low	26.6	Very low	120 Å²	120	127.4 Å²	127.4	64%	0.642	69%	0.694	S	S	*	*	H	α-helix	trans	-68.8	-34.1	179.1	-83.3	-14.5	0	0	0	112.4	V219 A220	D217-V219 PolarHBondContact O-N 2.9Å; D217-A220 PolarHBondContact O-N 3.38Å
218	E	24.6	Very low	26.7	Very low	173 Å²	173	128.2 Å²	128.2	81%	0.808	71%	0.709	S	S	*	*	H	α-helix	trans	-67	-21.3	179.9	-72	-170	171.7	0	0	113.8
219	V	30.1	Very low	26.6	Very low	129 Å²	129	126.6 Å²	126.6	78%	0.782	71%	0.71	S	S	*	*	H	α-helix	trans	-90.7	-14.5	-179.4	-167.8	0	0	0	0	112.2	Y216 D217	Y216-V219 PolarHBondContact O-N 3.4Å; D217-V219 PolarHBondContact O-N 2.9Å
220	A	27.3	Very low	26.5	Very low	79 Å²	79	126.6 Å²	126.6	65%	0.653	71%	0.712	S	S	*	*	H	α-helix	trans	-101.5	-6.6	-171.6	0	0	0	0	0	115.3	D217	D217-A220 PolarHBondContact O-N 3.38Å
221	S	26	Very low	26.2	Very low	99 Å²	99	130.7 Å²	130.7	69%	0.692	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	67	-170	173.7	0	0	0	0	113.3
222	D	29.2	Very low	26.2	Very low	159 Å²	159	132 Å²	132	85%	0.85	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	10.9	161.7	-100.7	-6.9	0	0	0	113.1
223	N	29.3	Very low	26.4	Very low	162 Å²	162	135 Å²	135	87%	0.866	75%	0.748	S	S	*	*			trans	-111.8	85.2	167	-75	-34	0	0	0	108.5
224	E	27.4	Very low	26.2	Very low	175 Å²	175	133.9 Å²	133.9	82%	0.818	75%	0.749	S	S	*	*			trans	-58.9	145.4	162.6	-63.3	-160.1	149.1	0	0	109.9
225	D	27.3	Very low	26	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	76%	0.76	S	S	*	*			trans	72.7	70.1	165.8	-53.4	-27.7	0	0	0	118.2
226	S	27.6	Very low	25.9	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	77%	0.774	S	S	*	*			trans	-156.2	115.5	143.4	-57	0	0	0	0	111.4	S228	S226-S228 PolarHBondContact O-N 2.83Å
227	S	26.4	Very low	25.8	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	78%	0.775	S	S	*	*			trans	-45	119.1	174.2	50.1	0	0	0	0	114	G229	S227-G229 PolarHBondContact O-N 2.98Å
228	S	26	Very low	25.7	Very low	122 Å²	122	142.3 Å²	142.3	85%	0.853	79%	0.786	S	S	*	*			trans	9	73.5	153	64.2	0	0	0	0	116.7	S226	S226-S228 PolarHBondContact O-N 2.83Å
229	G	23.2	Very low	25.6	Very low	52 Å²	52	140.8 Å²	140.8	54%	0.536	78%	0.781	S	S	.	*			trans	-84.8	113.6	167	0	0	0	0	0	109.8	S227 Y231	S227-G229 PolarHBondContact O-N 2.98Å; G229-Y231 VanDerWaalsContact O-CD2 3.28Å; G229-Y231 WeakPolarHBondContact O-CD2 3.47Å; G229-Y231 PolarHBondContact O-N 3.43Å
230	H	24.5	Very low	25.3	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.866	78%	0.781	S	S	*	*			trans	-51.2	117.6	167.4	-114	45.5	0	0	0	109.9	D232	H230-D232 PolarHBondContact O-N 3.03Å
231	Y	24.2	Very low	25.2	Very low	217 Å²	217	148 Å²	148	85%	0.851	79%	0.79	S	S	*	*			trans	-88.9	98.6	173.9	-73.2	-84.8	0	0	0	109.3	G229 S233	G229-Y231 VanDerWaalsContact O-CD2 3.28Å; G229-Y231 WeakPolarHBondContact O-CD2 3.47Å; G229-Y231 PolarHBondContact O-N 3.43Å; Y231-S233 PolarHBondContact O-N 2.7Å
232	D	24	Very low	25.1	Very low	135 Å²	135	148.8 Å²	148.8	72%	0.722	79%	0.786	S	S	*	*			trans	-69.4	123.5	167.4	-99	-19.7	0	0	0	109.7	H230 L234	H230-D232 PolarHBondContact O-N 3.03Å; D232-L234 PolarHBondContact O-N 2.93Å
233	S	29.4	Very low	25.1	Very low	122 Å²	122	147.4 Å²	147.4	85%	0.853	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	27.6	-159.6	59.5	0	0	0	0	116.6	Y231	Y231-S233 PolarHBondContact O-N 2.7Å
234	L	24.7	Very low	24.9	Very low	147 Å²	147	149.9 Å²	149.9	77%	0.77	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	3	179.8	-81.4	164.6	0	0	0	115	D232	D232-L234 PolarHBondContact O-N 2.93Å
235	H	21.8	Very low	25	Very low	164 Å²	164	147.4 Å²	147.4	76%	0.759	78%	0.78	S	S	*	*			trans	-98.2	98	172	-63.7	85.2	0	0	0	109.4	V237	H235-V237 PolarHBondContact O-N 3.28Å
236	F	22.6	Very low	25.1	Very low	194 Å²	194	150.9 Å²	150.9	85%	0.851	78%	0.784	S	S	*	*			trans	-50.4	114.8	160.7	-75.8	-89.9	0	0	0	107.7	M238	F236-M238 VanDerWaalsContact C-N 3.25Å; F236-M238 PolarHBondContact O-N 3.24Å
237	V	22.7	Very low	25.1	Very low	123 Å²	123	156.6 Å²	156.6	75%	0.745	79%	0.788	S	S	*	*			trans	-63.1	92.6	173.3	178.9	0	0	0	0	106.8	H235 M239	H235-V237 PolarHBondContact O-N 3.28Å; V237-M239 PolarHBondContact O-N 3.4Å
238	M	20.7	Very low	25.5	Very low	177 Å²	177	160.3 Å²	160.3	87%	0.872	79%	0.79	S	S	*	*			trans	-62.1	106.3	165	-88.4	-171.1	70	0	0	106.6	F236 K240	F236-M238 VanDerWaalsContact C-N 3.25Å; F236-M238 PolarHBondContact O-N 3.24Å; M238-K240 PolarHBondContact O-N 3.43Å
239	M	24.5	Very low	25.7	Very low	141 Å²	141	166.2 Å²	166.2	70%	0.695	79%	0.793	S	S	*	*			trans	-56.5	114.5	171.2	-76.2	-156.1	175.8	0	0	108.1	V237 Q241	V237-M239 PolarHBondContact O-N 3.4Å; M239-Q241 PolarHBondContact O-N 2.91Å; M239-Q241 VanDerWaalsContact O-N 3.12Å
240	K	23.2	Very low	26.3	Very low	182 Å²	182	168.3 Å²	168.3	79%	0.791	80%	0.8	S	S	*	*			trans	-50.4	121.8	169.5	-151.2	175.4	-172.8	177.4	0	106.7	M238 N242	M238-K240 PolarHBondContact O-N 3.43Å; K240-N242 PolarHBondContact O-N 2.76Å
241	Q	24.1	Very low	26.9	Very low	178 Å²	178	161.9 Å²	161.9	83%	0.832	78%	0.779	S	S	*	*			trans	-59.1	80.4	174.7	-82.5	179.9	-10.7	0	0	109.3	M239 T243	M239-Q241 PolarHBondContact O-N 2.91Å; M239-Q241 VanDerWaalsContact O-N 3.12Å; Q241-T243 PolarHBondContact O-N 3.39Å
242	N	24.7	Very low	27.4	Very low	116 Å²	116	160.1 Å²	160.1	62%	0.62	77%	0.772	S	S	*	*			trans	-78.2	100.7	162	-76.3	-15.2	0	0	0	104.7	K240 R244	K240-N242 PolarHBondContact O-N 2.76Å; N242-R244 PolarHBondContact O-N 3.49Å
243	T	28.8	Very low	28.5	Very low	130 Å²	130	157.3 Å²	157.3	80%	0.798	76%	0.762	S	S	*	*	S	Bend	trans	-64.5	28.4	-178.1	45.3	0	0	0	0	114.2	Q241	Q241-T243 PolarHBondContact O-N 3.39Å
244	R	25.9	Very low	29.1	Very low	213 Å²	213	159.8 Å²	159.8	80%	0.804	76%	0.759	S	S	*	*	S	Bend	trans	-132.7	118.8	171.6	-69	-171.6	177.3	-174.9	-0.1	109.6	N242 Y246	N242-R244 PolarHBondContact O-N 3.49Å; R244-Y246 PolarHBondContact O-N 3.04Å; R244-Y246 VanDerWaalsContact O-N 3.16Å
245	P	28.7	Very low	29.9	Very low	124 Å²	124	154.3 Å²	154.3	81%	0.805	73%	0.733	S	S	*	*			trans	-57.6	124.1	178.3	22.7	-30.9	0	0	0	108.6	R247	P245-R247 PolarHBondContact O-N 3.04Å
246	Y	29.5	Very low	31	Very low	219 Å²	219	153 Å²	153	86%	0.859	73%	0.732	S	S	*	*			trans	-60.3	87.7	168.8	-108.9	-92.5	0	0	0	107.5	R244 K248	R244-Y246 PolarHBondContact O-N 3.04Å; R244-Y246 VanDerWaalsContact O-N 3.16Å; Y246-K248 VanDerWaalsContact C-N 3.3Å; Y246-K248 PolarHBondContact O-N 3.12Å
247	R	26.8	Very low	32.1	Very low	237 Å²	237	147.4 Å²	147.4	89%	0.894	72%	0.717	S	S	*	*			trans	-67.7	96.7	169.8	-155.3	177.6	-168.6	174.4	3.9	104.9	P245 R249	P245-R247 PolarHBondContact O-N 3.04Å; R247-R249 PolarHBondContact O-N 3Å
248	K	35.6	Very low	33.1	Very low	186 Å²	186	146 Å²	146	81%	0.809	70%	0.699	S	S	*	*			trans	-40.1	116.8	171.2	-83	-178	177.1	175.3	0	106.5	Y246 S250	Y246-K248 VanDerWaalsContact C-N 3.3Å; Y246-K248 PolarHBondContact O-N 3.12Å; K248-S250 PolarHBondContact O-N 2.9Å
249	R	29.8	Very low	34.2	Very low	246 Å²	246	141.1 Å²	141.1	93%	0.928	67%	0.674	S	S	*	*			trans	-49	108.9	-177.2	-80.8	178.6	172.6	177.2	-1.1	106.9	R247 A251	R247-R249 PolarHBondContact O-N 3Å; R249-A251 PolarHBondContact O-N 3.32Å
250	S	36	Very low	35.1	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-48.8	116.6	177.6	47.1	0	0	0	0	107.5	K248 Y252	K248-S250 PolarHBondContact O-N 2.9Å; S250-Y252 PolarHBondContact O-N 3.28Å
251	A	37.3	Very low	35.9	Very low	52 Å²	52	136.1 Å²	136.1	43%	0.43	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-46.1	118.9	162.4	0	0	0	0	0	106.1	R249 P253 Y258	R249-A251 PolarHBondContact O-N 3.32Å; A251-P253 VanDerWaalsContact O-N 3.13Å; A251-Y258 HydrophobicContact CB-CD2 4.1Å
252	Y	35.8	Very low	36.8	Very low	180 Å²	180	132 Å²	132	71%	0.706	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-50.8	127.7	-178	-92.4	-96.4	0	0	0	107.2	S250 E254 S255	S250-Y252 PolarHBondContact O-N 3.28Å; Y252-E254 PolarHBondContact O-N 3.12Å; Y252-S255 WeakPolarHBondContact O-CB 3.4Å; Y252-S255 PolarHBondContact O-N 3.17Å; Y252-S255 PolarHBondContact O-OG 3.41Å
253	P	45.5	Very low	37.3	Very low	77 Å²	77	134.4 Å²	134.4	50%	0.5	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.6	-15.5	-176	19.4	-30	0	0	0	113.2	A251 Y258 Q259	A251-P253 VanDerWaalsContact O-N 3.13Å; P253-Y258 HydrophobicContact CB-CD1 4.37Å; P253-Y258 HydrophobicContact CB-CE1 4.26Å; P253-Y258 WeakPolarHBondContact O-CD1 3.06Å; P253-Q259 PolarHBondContact O-NE2 3.04Å
254	E	41.6	Very low	37.7	Very low	173 Å²	173	133.5 Å²	133.5	81%	0.808	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-6	174.8	-61.3	-175.7	167.4	0	0	114.1	Y252	Y252-E254 PolarHBondContact O-N 3.12Å
255	S	41.6	Very low	38.1	Very low	32 Å²	32	131.3 Å²	131.3	22%	0.224	61%	0.612	C	S	.	*	S	Bend	trans	-67.4	136.2	175.6	63.1	0	0	0	0	110.5	Y252 S257 Y258 Q259	Y252-S255 WeakPolarHBondContact O-CB 3.4Å; Y252-S255 PolarHBondContact O-N 3.17Å; Y252-S255 PolarHBondContact O-OG 3.41Å; S255-S257 PolarHBondContact O-N 2.69Å; S255-S257 PolarHBondContact OG-OG 3Å; S255-Y258 PolarHBondContact O-N 3.06Å; S255-Y258 WeakPolarHBondContact OG-CB 3.28Å; S255-Q259 PolarHBondContact O-N 2.99Å
256	D	45.9	Very low	38.1	Very low	138 Å²	138	134 Å²	134	74%	0.738	61%	0.607	S	S	*	*	H	α-helix	trans	-56.3	-34	179.7	-78.7	-30.4	0	0	0	111.7	Q259 Q260	D256-Q259 PolarHBondContact O-N 2.67Å; D256-Q260 WeakPolarHBondContact O-CB 3.09Å; D256-Q260 PolarHBondContact O-N 2.96Å
257	S	45.9	Very low	38.1	Very low	75 Å²	75	131 Å²	131	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-64.3	-42.1	176.2	57.9	0	0	0	0	112.7	S255 Q260 M261	S255-S257 PolarHBondContact O-N 2.69Å; S255-S257 PolarHBondContact OG-OG 3Å; S257-Q260 PolarHBondContact O-N 2.82Å; S257-M261 WeakPolarHBondContact O-CB 3.34Å; S257-M261 PolarHBondContact O-N 3.17Å
258	Y	43.2	Very low	38.4	Very low	94 Å²	94	124.9 Å²	124.9	37%	0.369	59%	0.589	S	S	.	*	H	α-helix	trans	-66.8	-43.8	175.1	-176.9	-95.2	0	0	0	111.5	A251 P253 S255 M261 K262	A251-Y258 HydrophobicContact CB-CD2 4.1Å; P253-Y258 HydrophobicContact CB-CD1 4.37Å; P253-Y258 HydrophobicContact CB-CE1 4.26Å; P253-Y258 WeakPolarHBondContact O-CD1 3.06Å; S255-Y258 PolarHBondContact O-N 3.06Å; S255-Y258 WeakPolarHBondContact OG-CB 3.28Å; Y258-M261 PolarHBondContact O-N 2.76Å; Y258-K262 HydrophobicContact CE1-CD 4.49Å; Y258-K262 WeakPolarHBondContact O-CB 3.37Å; Y258-K262 PolarHBondContact O-N 2.81Å
259	Q	45	Very low	38.1	Very low	74 Å²	74	124.2 Å²	124.2	35%	0.346	59%	0.587	S	S	.	*	H	α-helix	trans	-64.7	-39.9	176.7	-70.6	-74.3	-23.7	0	0	111.7	P253 S255 D256 K262 R263	P253-Q259 PolarHBondContact O-NE2 3.04Å; S255-Q259 PolarHBondContact O-N 2.99Å; D256-Q259 PolarHBondContact O-N 2.67Å; Q259-K262 PolarHBondContact O-N 3.18Å; Q259-R263 VanDerWaalsContact O-CG 3.31Å; Q259-R263 WeakPolarHBondContact O-CG 3.4Å; Q259-R263 PolarHBondContact O-N 2.78Å
260	Q	41.6	Very low	37.9	Very low	122 Å²	122	118.9 Å²	118.9	57%	0.57	58%	0.575	S	S	*	*	H	α-helix	trans	-66.9	-42.5	177.5	-168.9	173.7	23.8	0	0	111.1	D256 S257 K262 R263 M264	D256-Q260 WeakPolarHBondContact O-CB 3.09Å; D256-Q260 PolarHBondContact O-N 2.96Å; S257-Q260 PolarHBondContact O-N 2.82Å; Q260-K262 VanDerWaalsContact C-N 3.34Å; Q260-K262 PolarHBondContact O-N 2.92Å; Q260-R263 PolarHBondContact O-N 2.75Å; Q260-M264 WeakPolarHBondContact O-CG 3.33Å; Q260-M264 PolarHBondContact O-N 3.16Å
261	M	41.6	Very low	37.7	Very low	97 Å²	97	120.3 Å²	120.3	48%	0.478	58%	0.583	S	S	.	*	H	α-helix	trans	-62.2	-41.5	172.6	-168.1	-173.5	-60.4	0	0	111.5	S257 Y258 M264 R265	S257-M261 WeakPolarHBondContact O-CB 3.34Å; S257-M261 PolarHBondContact O-N 3.17Å; Y258-M261 PolarHBondContact O-N 2.76Å; M261-M264 PolarHBondContact O-N 3.45Å; M261-R265 WeakPolarHBondContact O-CG 3.31Å; M261-R265 PolarHBondContact O-N 2.95Å
262	K	41.3	Very low	37.4	Very low	90 Å²	90	126.3 Å²	126.3	39%	0.391	60%	0.603	S	S	.	*	H	α-helix	trans	-65.6	-36.2	175.3	-166.5	177.1	-177	175.8	0	112.5	Y258 Q259 Q260 R266	Y258-K262 HydrophobicContact CE1-CD 4.49Å; Y258-K262 WeakPolarHBondContact O-CB 3.37Å; Y258-K262 PolarHBondContact O-N 2.81Å; Q259-K262 PolarHBondContact O-N 3.18Å; Q260-K262 VanDerWaalsContact C-N 3.34Å; Q260-K262 PolarHBondContact O-N 2.92Å; K262-R266 PolarHBondContact O-N 2.77Å
263	R	37	Very low	37.1	Very low	167 Å²	167	130.6 Å²	130.6	63%	0.63	63%	0.629	S	S	*	*	H	α-helix	trans	-65.2	-47.6	172.9	-75.3	175.9	-170.5	177	5.2	111.1	Q259 Q260 R265 R266 E267	Q259-R263 VanDerWaalsContact O-CG 3.31Å; Q259-R263 WeakPolarHBondContact O-CG 3.4Å; Q259-R263 PolarHBondContact O-N 2.78Å; Q260-R263 PolarHBondContact O-N 2.75Å; R263-R265 VanDerWaalsContact C-N 3.32Å; R263-R265 PolarHBondContact O-N 2.75Å; R263-R266 PolarHBondContact O-N 2.71Å; R263-R266 VanDerWaalsContact O-N 3.08Å; R263-E267 PolarHBondContact O-N 2.72Å
264	M	36	Very low	36.7	Very low	112 Å²	112	133.3 Å²	133.3	55%	0.552	64%	0.636	S	S	*	*	H	α-helix	trans	-59.2	-42.8	175.1	-71.7	-161.5	-71.3	0	0	111.5	Q260 M261 R266 E267 V268	Q260-M264 WeakPolarHBondContact O-CG 3.33Å; Q260-M264 PolarHBondContact O-N 3.16Å; M261-M264 PolarHBondContact O-N 3.45Å; M264-R266 VanDerWaalsContact C-N 3.32Å; M264-R266 PolarHBondContact O-N 2.71Å; M264-E267 PolarHBondContact O-N 3.01Å; M264-V268 WeakPolarHBondContact O-CG2 3.41Å; M264-V268 PolarHBondContact O-N 2.95Å
265	R	34.4	Very low	36.5	Very low	166 Å²	166	131.2 Å²	131.2	63%	0.626	63%	0.627	S	S	*	*	H	α-helix	trans	-58.4	-41.8	173.8	-74.6	-176.9	-170.9	-168.9	1.8	112.2	M261 R263 V268 F269	M261-R265 WeakPolarHBondContact O-CG 3.31Å; M261-R265 PolarHBondContact O-N 2.95Å; R263-R265 VanDerWaalsContact C-N 3.32Å; R263-R265 PolarHBondContact O-N 2.75Å; R265-V268 PolarHBondContact O-N 3.11Å; R265-F269 WeakPolarHBondContact O-CD2 3.48Å
266	R	28.9	Very low	36.2	Very low	181 Å²	181	136.7 Å²	136.7	68%	0.683	65%	0.649	S	S	*	*	H	α-helix	trans	-68.7	-36.1	177.8	-77.5	-179.5	171.9	179.9	-4.6	113.1	K262 R263 M264 V268 F269	K262-R266 PolarHBondContact O-N 2.77Å; R263-R266 PolarHBondContact O-N 2.71Å; R263-R266 VanDerWaalsContact O-N 3.08Å; M264-R266 VanDerWaalsContact C-N 3.32Å; M264-R266 PolarHBondContact O-N 2.71Å; R266-V268 VanDerWaalsContact C-N 3.25Å; R266-V268 PolarHBondContact O-N 3.38Å; R266-F269 PolarHBondContact O-N 2.8Å
267	E	30.1	Very low	35.6	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	64%	0.644	S	S	*	*	H	α-helix	trans	-70	-21.5	179.4	-73.7	179	-178.8	0	0	113.1	R263 M264	R263-E267 PolarHBondContact O-N 2.72Å; M264-E267 PolarHBondContact O-N 3.01Å
268	V	32.3	Very low	35	Very low	108 Å²	108	140.5 Å²	140.5	66%	0.655	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-14.2	178.8	176.2	0	0	0	0	112.9	M264 R265 R266	M264-V268 WeakPolarHBondContact O-CG2 3.41Å; M264-V268 PolarHBondContact O-N 2.95Å; R265-V268 PolarHBondContact O-N 3.11Å; R266-V268 VanDerWaalsContact C-N 3.25Å; R266-V268 PolarHBondContact O-N 3.38Å
269	F	28.5	Very low	34.4	Very low	173 Å²	173	143.6 Å²	143.6	76%	0.759	67%	0.67	S	S	*	*			trans	-105.7	57.8	179	-65.9	-76.3	0	0	0	112.7	R265 R266	R265-F269 WeakPolarHBondContact O-CD2 3.48Å; R266-F269 PolarHBondContact O-N 2.8Å
270	I	27.4	Very low	33.7	Very low	133 Å²	133	148.6 Å²	148.6	68%	0.682	69%	0.693	S	S	*	*			trans	-139.7	75.7	158.5	-47.8	175.8	0	0	0	107.1	E272	I270-E272 HydrophobicContact CG2-CG 4.13Å
271	C	31.3	Very low	33.1	Very low	126 Å²	126	150.6 Å²	150.6	85%	0.851	70%	0.703	S	S	*	*			trans	-100	104	153.1	-71.2	0	0	0	0	104.6
272	E	31.3	Very low	32.4	Very low	178 Å²	178	155.1 Å²	155.1	83%	0.832	72%	0.721	S	S	*	*			trans	-57.7	146.6	173.6	-68.2	177.3	153.8	0	0	110.1	I270	I270-E272 HydrophobicContact CG2-CG 4.13Å
273	E	29.8	Very low	31.5	Very low	271 Å²	271	161 Å²	161	100%	1.266	75%	0.751	S	S	*	*			trans	-47.4	0	-178	-64.2	174.2	157.1	0	0	115.1

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