A0A060WR25_ONCMY Loading...

GDP-fucose protein O-fucosyltransferase 2

Catalyzes the reaction that attaches fucose through an O-glycosidic linkage to a conserved serine or threonine residue in the consensus sequence C1-X-X-S/T-C2 of thrombospondin type I repeats (TSRs) where C1 and C2 are the first and second cysteines of the repeat, respectively. O-fucosylates members of several protein families including the ADAMTS, the thrombospondin (TSP) and spondin families. Required for the proper secretion of ADAMTS family members such as ADAMTSL1 and ADAMTS13. The O-fucosylation of TSRs is also required for restricting epithelial to mesenchymal transition (EMT), maintaining the correct patterning of mesoderm and localization of the definite endoderm.

AlphaFold DB , UniProt , Accession A0A060WR25, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 449 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	33.2	Very low	242 Å²	242	162.8 Å²	162.8	100%	1.192	81%	0.812	S	S	*	*				0	97.3	0	-80.3	170.8	163.2	0	0	105.8
2	A	35	Very low	33.2	Very low	91 Å²	91	158.4 Å²	158.4	75%	0.752	81%	0.808	S	S	*	*				55.1	129	88.8	0	0	0	0	0	110.6
3	D	35	Very low	34.5	Very low	131 Å²	131	154.6 Å²	154.6	70%	0.701	80%	0.801	S	S	*	*			cis	-175.7	158	23.8	-134.9	-10.1	0	0	0	112.2
4	H	39.2	Very low	34.4	Very low	148 Å²	148	151.4 Å²	151.4	69%	0.685	79%	0.791	S	S	*	*			trans	45.6	133.5	141.6	-75.6	-48.8	0	0	0	126.9
5	R	34	Very low	34.4	Very low	237 Å²	237	150.2 Å²	150.2	89%	0.894	79%	0.785	S	S	*	*				154	120.3	111.4	-81	-177	-163.1	-150.6	0.8	110.2
6	F	35.3	Very low	34.1	Very low	177 Å²	177	155.4 Å²	155.4	78%	0.776	79%	0.791	S	S	*	*				70.6	109.4	58.5	-113	-71.2	0	0	0	118	R8	F6-R8 HydrophobicContact CD1-CG 4.49Å; F6-R8 HydrophobicContact CE1-CG 4.35Å
7	S	31.1	Very low	34.5	Very low	114 Å²	114	154.4 Å²	154.4	80%	0.797	79%	0.787	S	S	*	*			trans	-177.4	128.2	133.3	66.6	0	0	0	0	108.1
8	R	32.8	Very low	34.4	Very low	233 Å²	233	156.3 Å²	156.3	88%	0.879	79%	0.789	S	S	*	*			cis	86.6	117.3	45.1	-91	-165.2	179.4	-171	2.6	116.1	F6	F6-R8 HydrophobicContact CD1-CG 4.49Å; F6-R8 HydrophobicContact CE1-CG 4.35Å
9	G	29.9	Very low	34.8	Very low	72 Å²	72	153.1 Å²	153.1	74%	0.742	78%	0.783	S	S	*	*			trans	120.2	143.7	145.2	0	0	0	0	0	115.3
10	F	29.4	Very low	35.6	Very low	173 Å²	173	153 Å²	153	76%	0.759	79%	0.789	S	S	*	*			cis	-178.3	140	-3.8	-143.7	-131.7	0	0	0	108.3
11	K	29.3	Very low	35.9	Very low	173 Å²	173	154.1 Å²	154.1	75%	0.752	79%	0.791	S	S	*	*			trans	62.5	122.2	143.9	-67.1	-172.3	180	172.1	0	124.5
12	S	32.7	Very low	36.4	Very low	110 Å²	110	148.1 Å²	148.1	77%	0.769	77%	0.773	S	S	*	*			trans	-67.2	-173.7	149.1	-153.6	0	0	0	0	111.3
13	P	51.1	Low	37.1	Very low	109 Å²	109	151.3 Å²	151.3	71%	0.708	78%	0.776	S	S	*	*			cis	-150.6	-161.3	9.1	34.3	-6.9	0	0	0	116.9
14	V	33.1	Very low	37.7	Very low	110 Å²	110	152.2 Å²	152.2	67%	0.667	78%	0.78	S	S	*	*			trans	119.3	95.2	148.3	-176.9	0	0	0	0	115.1
15	L	33.7	Very low	37.9	Very low	133 Å²	133	154.5 Å²	154.5	70%	0.696	79%	0.788	S	S	*	*				69.1	133.5	104.8	-75.9	142.6	0	0	0	117.2
16	W	30.3	Very low	38.4	Very low	233 Å²	233	149.9 Å²	149.9	88%	0.883	78%	0.78	S	S	*	*				-169.9	141.4	111.3	-104.7	60.4	0	0	0	110.9	F18	W16-F18 HydrophobicContact CE3-CE2 4.29Å; W16-F18 HydrophobicContact CZ3-CE2 4.22Å
17	L	39.7	Very low	38.7	Very low	139 Å²	139	147.1 Å²	147.1	73%	0.728	78%	0.782	S	S	*	*			trans	-82.3	168.2	-172.7	-78.9	130.9	0	0	0	113.8
18	F	33.1	Very low	39.2	Very low	189 Å²	189	149.5 Å²	149.5	83%	0.829	78%	0.784	S	S	*	*			trans	140	133.2	151.3	-70.7	-59.6	0	0	0	108.4	W16	W16-F18 HydrophobicContact CE3-CE2 4.29Å; W16-F18 HydrophobicContact CZ3-CE2 4.22Å
19	S	41.3	Very low	39.6	Very low	95 Å²	95	142.8 Å²	142.8	66%	0.664	77%	0.773	S	S	*	*			cis	-160.7	140.3	12.5	158.4	0	0	0	0	108.4	Q21	S19-Q21 PolarHBondContact O-N 2.84Å; S19-Q21 VanDerWaalsContact O-N 3.12Å
20	V	51.6	Low	40	Very low	150 Å²	150	146.7 Å²	146.7	91%	0.909	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	77.3	-177.2	-176.9	0	0	0	0	109.8
21	Q	42.3	Very low	40.5	Very low	177 Å²	177	147 Å²	147	83%	0.827	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.3	-2.9	169.5	-110.6	170.9	10.7	0	0	115.2	S19	S19-Q21 PolarHBondContact O-N 2.84Å; S19-Q21 VanDerWaalsContact O-N 3.12Å
22	S	45.4	Very low	40.8	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	78%	0.781	S	S	*	*	S	Bend	trans	-100.6	4.1	-180	-77.6	0	0	0	0	116.1
23	L	48.3	Very low	40.7	Very low	157 Å²	157	145.5 Å²	145.5	82%	0.822	79%	0.786	S	S	*	*	S	Bend	trans	-101.8	-1.1	-174	-103.2	137.6	0	0	0	115.7
24	I	48.8	Very low	39.8	Very low	150 Å²	150	146.2 Å²	146.2	77%	0.769	79%	0.793	S	S	*	*	S	Bend	trans	-99.1	-7.8	-176	-63.5	177.3	0	0	0	113.2
25	K	42.5	Very low	40	Very low	197 Å²	197	145.4 Å²	145.4	86%	0.857	80%	0.799	S	S	*	*	S	Bend	trans	-100.6	2.7	178.3	-74.6	-172	177.6	-178.6	0	115.7
26	L	44.1	Very low	39.9	Very low	140 Å²	140	146.2 Å²	146.2	73%	0.733	81%	0.809	S	S	*	*	S	Bend	trans	-103.8	-4.4	-178.3	-156.2	69.7	0	0	0	114.5
27	C	43	Very low	39.9	Very low	119 Å²	119	141 Å²	141	80%	0.804	80%	0.803	S	S	*	*	S	Bend	trans	-103.5	10.4	-177.4	-76.8	0	0	0	0	115.3
28	L	41	Very low	39.4	Very low	164 Å²	164	139.8 Å²	139.8	86%	0.859	80%	0.8	S	S	*	*	S	Bend	trans	-120.8	13.9	-175.9	-87.4	163.5	0	0	0	115.5
29	S	40.8	Very low	39.1	Very low	91 Å²	91	139.5 Å²	139.5	64%	0.636	80%	0.802	S	S	*	*	S	Bend	trans	-126.7	11.6	-175.9	47.5	0	0	0	0	116.5
30	I	39.4	Very low	38.2	Very low	155 Å²	155	140.8 Å²	140.8	80%	0.795	81%	0.809	S	S	*	*	S	Bend	trans	-126	34.4	179.9	-44.7	176.5	0	0	0	112
31	L	38	Very low	37.1	Very low	180 Å²	180	141.8 Å²	141.8	94%	0.942	80%	0.804	S	S	*	*	S	Bend	trans	-136.9	61.8	169.1	-99.5	163.5	0	0	0	109.8
32	A	35.8	Very low	36.3	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	80%	0.803	S	S	*	*			trans	-157.1	126.9	158.9	0	0	0	0	0	110.2
33	L	31.9	Very low	35.5	Very low	168 Å²	168	143.3 Å²	143.3	88%	0.88	80%	0.802	S	S	*	*			trans	72.8	107	162.6	-61.3	122	0	0	0	117.9
34	S	32.6	Very low	34.7	Very low	124 Å²	124	142.6 Å²	142.6	87%	0.867	80%	0.799	S	S	*	*				171.7	127.1	93.1	45.1	0	0	0	0	111.1
35	A	35.6	Very low	33.6	Very low	94 Å²	94	141.8 Å²	141.8	78%	0.777	80%	0.801	S	S	*	*			trans	-109	124.6	166.4	0	0	0	0	0	107.3
36	V	31.3	Very low	33	Very low	150 Å²	150	142.1 Å²	142.1	91%	0.909	80%	0.803	S	S	*	*			trans	-154	145.2	151.1	-175.1	0	0	0	0	108.4
37	V	32	Very low	32.3	Very low	124 Å²	124	147.4 Å²	147.4	75%	0.752	81%	0.813	S	S	*	*			trans	-107.4	167.3	-163.4	-171.1	0	0	0	0	111.1
38	V	28.7	Very low	31.7	Very low	112 Å²	112	146.2 Å²	146.2	68%	0.679	81%	0.812	S	S	*	*			trans	92.3	132.2	154.5	-168.5	0	0	0	0	115.1
39	E	25.9	Very low	31	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	81%	0.811	S	S	*	*			cis	-160.8	154.6	10.6	-130.4	144.9	-162.8	0	0	109.2
40	C	22.4	Very low	30.6	Very low	122 Å²	122	145 Å²	145	82%	0.824	82%	0.818	S	S	*	*				167	150.3	118.2	-153.2	0	0	0	0	112.5
41	Q	28.7	Very low	30.2	Very low	172 Å²	172	142.6 Å²	142.6	80%	0.804	82%	0.815	S	S	*	*			trans	-76.7	157.3	-164.5	-60.2	169.3	-60.9	0	0	115.6
42	I	26.8	Very low	30	Very low	157 Å²	157	139.4 Å²	139.4	81%	0.805	80%	0.803	S	S	*	*				171.9	126.1	117.9	-82.5	158.4	0	0	0	111.3
43	E	26.9	Very low	30	Very low	169 Å²	169	144.7 Å²	144.7	79%	0.79	81%	0.811	S	S	*	*			trans	36.2	126.1	150	-66.7	175.9	156.2	0	0	125
44	D	32.3	Very low	29.9	Very low	142 Å²	142	141.3 Å²	141.3	76%	0.759	80%	0.801	S	S	*	*			trans	51.8	113.5	133.6	-67.7	-14.3	0	0	0	121.4
45	T	26.2	Very low	30.6	Very low	132 Å²	132	141.1 Å²	141.1	81%	0.81	80%	0.797	S	S	*	*				179.5	129.8	99.9	24.5	0	0	0	0	112.5
46	F	30.2	Very low	31	Very low	205 Å²	205	141.1 Å²	141.1	90%	0.899	80%	0.797	S	S	*	*			trans	46.3	105.2	156.6	-88	-96.2	0	0	0	120
47	R	29.7	Very low	31.1	Very low	251 Å²	251	140.6 Å²	140.6	95%	0.947	79%	0.794	S	S	*	*			trans	-153.6	134.1	140.8	-112.1	173.3	-173.8	-170.3	1.1	111.9
48	A	28.8	Very low	31.4	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	80%	0.798	S	S	*	*			trans	-53.3	133	179.9	0	0	0	0	0	112.3	N50	A48-N50 PolarHBondContact O-N 2.97Å
49	G	27.6	Very low	31.9	Very low	82 Å²	82	137.8 Å²	137.8	85%	0.845	80%	0.796	S	S	*	*			trans	-71.7	105.3	176.6	0	0	0	0	0	111.3	S51	G49-S51 PolarHBondContact O-N 3.46Å
50	N	32	Very low	33	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	79%	0.791	S	S	*	*			trans	-66.8	113.5	153.2	-78.9	-19.5	0	0	0	108.3	A48 V52	A48-N50 PolarHBondContact O-N 2.97Å; N50-V52 VanDerWaalsContact C-N 3.3Å; N50-V52 HydrophobicContact CB-CG2 4.26Å; N50-V52 PolarHBondContact O-N 2.89Å; N50-V52 VanDerWaalsContact O-N 3.08Å
51	S	30.2	Very low	34.5	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	79%	0.788	S	S	*	*			trans	-75.4	90	158.1	55.4	0	0	0	0	108.3	G49 F53	G49-S51 PolarHBondContact O-N 3.46Å; S51-F53 PolarHBondContact O-N 3.23Å; S51-F53 VanDerWaalsContact O-N 3.11Å
52	V	33.5	Very low	37	Very low	112 Å²	112	135.7 Å²	135.7	68%	0.679	79%	0.785	S	S	*	*			trans	-66.6	102.2	167.1	177.3	0	0	0	0	107.5	N50 S54	N50-V52 VanDerWaalsContact C-N 3.3Å; N50-V52 HydrophobicContact CB-CG2 4.26Å; N50-V52 PolarHBondContact O-N 2.89Å; N50-V52 VanDerWaalsContact O-N 3.08Å; V52-S54 PolarHBondContact O-N 3.4Å; V52-S54 VanDerWaalsContact O-N 3.14Å
53	F	36.4	Very low	40.1	Very low	193 Å²	193	130.7 Å²	130.7	85%	0.846	76%	0.76	S	S	*	*			trans	-67.5	104.7	157	-91.5	-89.7	0	0	0	107.2	S51	S51-F53 PolarHBondContact O-N 3.23Å; S51-F53 VanDerWaalsContact O-N 3.11Å
54	S	30.8	Very low	43.4	Very low	97 Å²	97	123.9 Å²	123.9	68%	0.678	73%	0.727	S	S	*	*			trans	-69.1	129.4	167.1	-72.6	0	0	0	0	108.9	V52	V52-S54 PolarHBondContact O-N 3.4Å; V52-S54 VanDerWaalsContact O-N 3.14Å
55	P	46.5	Very low	46.6	Very low	121 Å²	121	118 Å²	118	79%	0.786	69%	0.694	S	S	*	*	S	Bend	trans	-77.3	137.4	167.8	31.3	-28.4	0	0	0	108.7
56	A	43.9	Very low	50	Low	94 Å²	94	111.7 Å²	111.7	78%	0.777	66%	0.656	S	S	*	*			trans	86.2	75.1	178.9	0	0	0	0	0	117.1
57	V	34.4	Very low	53.3	Low	138 Å²	138	102 Å²	102	84%	0.836	61%	0.613	S	S	*	*				-147.6	90.6	111.7	-177	0	0	0	0	106.7	A59	V57-A59 PolarHBondContact O-N 3.15Å
58	A	38.5	Very low	56.6	Low	102 Å²	102	90 Å²	90	84%	0.843	57%	0.568	S	S	*	*			trans	-69.4	81.2	162.1	0	0	0	0	0	107.7	A60	A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 3.22Å; A58-A60 VanDerWaalsContact O-N 3.16Å
59	A	39	Very low	59.8	Low	76 Å²	76	86 Å²	86	63%	0.628	53%	0.533	S	S	*	.			trans	-63.8	107.2	145.6	0	0	0	0	0	104	V57 R61	V57-A59 PolarHBondContact O-N 3.15Å; A59-R61 PolarHBondContact O-N 2.82Å
60	A	47.6	Very low	63.1	Low	91 Å²	91	82.2 Å²	82.2	75%	0.752	49%	0.494	S	S	*	.			trans	-56.1	91.6	174.4	0	0	0	0	0	107.7	A58	A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 3.22Å; A58-A60 VanDerWaalsContact O-N 3.16Å
61	R	54.9	Low	66	Low	200 Å²	200	77.7 Å²	77.7	76%	0.755	47%	0.47	S	S	*	.			trans	-68.3	129	156.7	-69.9	-176.8	171.5	156.9	-2.8	103.9	A59 L63	A59-R61 PolarHBondContact O-N 2.82Å; R61-L63 PolarHBondContact O-N 3.25Å
62	D	80.5	Confident	68.9	Low	141 Å²	141	76.3 Å²	76.3	75%	0.754	46%	0.458	S	S	*	.			trans	-66.1	64.7	173.2	-69	-36	0	0	0	109.5
63	L	92.3	Very high	71.5	Confident	52 Å²	52	74.6 Å²	74.6	27%	0.272	45%	0.449	S	S	.	.			trans	-76.9	123.5	-178.3	-173.1	67	0	0	0	108.1	R61 Y65 D98 V100 T233	R61-L63 PolarHBondContact O-N 3.25Å; L63-Y65 HydrophobicContact CD2-CE1 4.31Å; L63-Y65 HydrophobicContact CD2-CE2 4.49Å; L63-D98 HydrophobicContact CD1-CB 3.94Å; L63-V100 HydrophobicContact CD1-CG2 3.55Å; L63-V100 HydrophobicContact CD2-CG2 4.31Å; L63-V100 HydrophobicContact CG-CG2 4.19Å; L63-T233 VanDerWaalsContact O-CG2 3.3Å; L63-T233 WeakPolarHBondContact O-CG2 3.18Å
64	R	96.3	Very high	74.2	Confident	27 Å²	27	68.2 Å²	68.2	10%	0.102	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.1	178.8	-60.5	-179.5	69.8	-172.2	-3.1	110.7	D98 W99 V100 L226 I230 S232 T233	R64-D98 PolarHBondContact N-O 3.39Å; R64-W99 HydrophobicContact CB-CD2 3.64Å; R64-W99 HydrophobicContact CB-CE3 3.61Å; R64-W99 HydrophobicContact CB-CG 4.31Å; R64-W99 HydrophobicContact CB-CH2 4.04Å; R64-W99 HydrophobicContact CB-CZ2 4.07Å; R64-W99 HydrophobicContact CB-CZ3 3.8Å; R64-W99 VanDerWaalsContact CZ-CH2 3.45Å; R64-W99 VanDerWaalsContact NH1-CZ2 3.34Å; R64-W99 CarbonylContact O-C 3.59Å; R64-W99 VanDerWaalsContact O-CA 3.28Å; R64-W99 WeakPolarHBondContact O-CA 3.26Å; R64-V100 PolarHBondContact O-N 2.86Å; R64-L226 PolarHBondContact NH1-O 3.44Å; R64-L226 PolarHBondContact NH2-O 2.7Å; R64-I230 PolarHBondContact NH1-O 2.81Å; R64-I230 PolarHBondContact NH2-O 3.5Å; R64-S232 VanDerWaalsContact CZ-O 3.28Å; R64-S232 PolarHBondContact NE-O 3.5Å; R64-S232 PolarHBondContact NH2-O 2.89Å; R64-T233 CarbonylContact C-O 3.5Å; R64-T233 WeakPolarHBondContact CA-O 3.46Å
65	Y	98.3	Very high	77.1	Confident	17 Å²	17	63.9 Å²	63.9	7%	0.067	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.8	-177.7	-61.9	-84.9	0	0	0	109.7	L63 V100 V102 I140 F145 E148 T233 S234 V235	L63-Y65 HydrophobicContact CD2-CE1 4.31Å; L63-Y65 HydrophobicContact CD2-CE2 4.49Å; Y65-V100 WeakPolarHBondContact CA-O 3.46Å; Y65-V100 HydrophobicContact CD1-CB 4.2Å; Y65-V100 HydrophobicContact CE1-CB 4.44Å; Y65-V102 HydrophobicContact CD1-CG2 3.89Å; Y65-V102 HydrophobicContact CG-CG2 4.37Å; Y65-I140 HydrophobicContact CD1-CD1 3.89Å; Y65-I140 HydrophobicContact CE1-CD1 3.55Å; Y65-F145 AromaticContact CD1-CD2 3.72Å; Y65-F145 HydrophobicContact CD1-CD2 3.72Å; Y65-F145 HydrophobicContact CD1-CE2 4.36Å; Y65-F145 HydrophobicContact CD2-CD2 4.12Å; Y65-F145 AromaticContact CD2-CE2 4Å; Y65-F145 HydrophobicContact CD2-CE2 4Å; Y65-F145 HydrophobicContact CE1-CD2 4.2Å; Y65-F145 AromaticContact CG-CD2 3.66Å; Y65-F145 HydrophobicContact CG-CD2 3.66Å; Y65-F145 AromaticContact CG-CE2 3.82Å; Y65-F145 HydrophobicContact CG-CE2 3.82Å; Y65-E148 WeakPolarHBondContact OH-CB 3.48Å; Y65-E148 PolarHBondContact OH-OE2 3.09Å; Y65-T233 HydrophobicContact CD2-CG2 4.39Å; Y65-T233 PolarHBondContact N-O 3.04Å; Y65-S234 WeakPolarHBondContact O-CA 3.48Å; Y65-V235 PolarHBondContact O-N 3.04Å
66	L	98.6	Very high	79.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.2	168.6	-173.3	69.7	0	0	0	108.5	L89 V90 L93 W99 V100 L101 V102 L226 V235 L237	L66-L89 HydrophobicContact CD2-CD2 4.01Å; L66-L89 HydrophobicContact CD2-CG 4.3Å; L66-V90 HydrophobicContact CB-CG2 4.21Å; L66-V90 HydrophobicContact CD2-CG2 3.47Å; L66-V90 VanDerWaalsContact CD2-CG2 3.47Å; L66-V90 HydrophobicContact CG-CG2 4.47Å; L66-L93 HydrophobicContact CD2-CD1 4.43Å; L66-W99 HydrophobicContact CB-CE3 3.98Å; L66-W99 HydrophobicContact CB-CZ3 4.17Å; L66-W99 HydrophobicContact CD1-CZ3 4.43Å; L66-V100 PolarHBondContact N-O 3.38Å; L66-L101 HydrophobicContact CB-CD1 4.43Å; L66-L101 HydrophobicContact CD2-CD1 4.25Å; L66-L101 HydrophobicContact CG-CD1 4.42Å; L66-V102 PolarHBondContact O-N 3.5Å; L66-L226 HydrophobicContact CD1-CD1 4.26Å; L66-V235 WeakPolarHBondContact CA-O 3.38Å; L66-L237 HydrophobicContact CD1-CD1 3.93Å; L66-L237 HydrophobicContact CD1-CG 3.92Å
67	L	98.8	Very high	81.9	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	160.2	170.6	-50.4	93.1	0	0	0	108.7	V102 Y142 F145 I154 W200 V235 M236 L237	L67-V102 HydrophobicContact CB-CB 4.5Å; L67-V102 HydrophobicContact CD1-CG2 4.49Å; L67-V102 HydrophobicContact CD2-CB 4.04Å; L67-V102 HydrophobicContact CD2-CG1 4Å; L67-V102 HydrophobicContact CD2-CG2 4.27Å; L67-V102 HydrophobicContact CG-CB 3.79Å; L67-V102 HydrophobicContact CG-CG1 4.32Å; L67-V102 HydrophobicContact CG-CG2 3.88Å; L67-Y142 HydrophobicContact CD2-CD2 4.02Å; L67-Y142 HydrophobicContact CD2-CE2 3.84Å; L67-F145 HydrophobicContact CD1-CE2 4.45Å; L67-F145 HydrophobicContact CD1-CZ 4.33Å; L67-F145 HydrophobicContact CD2-CD1 4Å; L67-F145 HydrophobicContact CD2-CE1 3.9Å; L67-F145 HydrophobicContact CD2-CG 4.47Å; L67-F145 HydrophobicContact CD2-CZ 4.3Å; L67-I154 HydrophobicContact CD2-CD1 4.06Å; L67-I154 HydrophobicContact CD2-CG1 4.3Å; L67-W200 HydrophobicContact CB-CH2 3.97Å; L67-W200 HydrophobicContact CD2-CH2 3.88Å; L67-W200 HydrophobicContact CD2-CZ3 4.16Å; L67-V235 PolarHBondContact N-O 2.67Å; L67-M236 HydrophobicContact CB-CB 4.02Å; L67-M236 HydrophobicContact CB-CG 4.16Å; L67-M236 CarbonylContact O-C 3.56Å; L67-M236 VanDerWaalsContact O-CA 3.29Å; L67-M236 WeakPolarHBondContact O-CA 3.39Å; L67-L237 PolarHBondContact O-N 2.95Å
68	Y	98.8	Very high	84.8	Confident	1 Å²	1	49.9 Å²	49.9	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	151.4	174.1	70.3	-79.8	0	0	0	112.5	I70 V82 Y83 M86 L101 P104 W200 L237 A240	Y68-I70 HydrophobicContact CD2-CD1 4.37Å; Y68-I70 HydrophobicContact CD2-CG1 4.2Å; Y68-I70 HydrophobicContact CE2-CD1 3.98Å; Y68-I70 HydrophobicContact CE2-CG1 4.3Å; Y68-V82 HydrophobicContact CD2-CG1 4.31Å; Y68-V82 HydrophobicContact CE2-CG1 4.22Å; Y68-Y83 WeakPolarHBondContact OH-CB 3.43Å; Y68-M86 HydrophobicContact CD1-CB 4.12Å; Y68-M86 HydrophobicContact CD1-CG 3.85Å; Y68-M86 HydrophobicContact CD2-CG 3.78Å; Y68-M86 HydrophobicContact CE1-CB 4.15Å; Y68-M86 HydrophobicContact CE1-CG 4.16Å; Y68-M86 HydrophobicContact CE2-CG 4.09Å; Y68-M86 HydrophobicContact CG-CB 4.43Å; Y68-M86 HydrophobicContact CG-CG 3.66Å; Y68-M86 HydrophobicContact CG-SD 4.31Å; Y68-L101 HydrophobicContact CD1-CD1 3.84Å; Y68-L101 HydrophobicContact CE1-CD1 3.86Å; Y68-L101 HydrophobicContact CE1-CG 4.43Å; Y68-P104 HydrophobicContact CD1-CG 4.34Å; Y68-P104 HydrophobicContact CD2-CG 4.33Å; Y68-P104 VanDerWaalsContact CE1-CD 3.4Å; Y68-P104 HydrophobicContact CE1-CG 3.79Å; Y68-P104 HydrophobicContact CE2-CG 3.78Å; Y68-P104 VanDerWaalsContact CZ-CG 3.47Å; Y68-P104 WeakPolarHBondContact O-CB 3.37Å; Y68-W200 VanDerWaalsContact O-CZ2 3.26Å; Y68-W200 WeakPolarHBondContact O-CZ2 3.48Å; Y68-L237 CarbonylContact C-O 3.35Å; Y68-L237 WeakPolarHBondContact CA-O 3.43Å; Y68-L237 WeakPolarHBondContact CB-O 3.32Å; Y68-A240 HydrophobicContact CD2-CB 4Å; Y68-A240 HydrophobicContact CG-CB 4.45Å
69	D	97.8	Very high	87.6	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.048	26%	0.257	C	S	.	.			trans	-132.3	168.3	165.8	-160.1	8.7	0	0	0	109.9	R79 W200 M236 L237 K239 A240	D69-R79 IonicContact OD1-NH1 3.52Å; D69-R79 PolarHBondContact OD1-NH1 3.41Å; D69-R79 VanDerWaalsContact OD1-NH1 3.07Å; D69-W200 HydrophobicContact CB-CZ2 4.21Å; D69-M236 HydrophobicContact CB-CE 3.62Å; D69-L237 PolarHBondContact N-O 2.71Å; D69-K239 PolarHBondContact O-N 3.28Å; D69-A240 WeakPolarHBondContact O-CB 3.31Å; D69-A240 PolarHBondContact O-N 2.9Å
70	I	96	Very high	90.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.228	C	C	.	.			trans	-129.8	146.2	-169.2	-59	169.1	0	0	0	107.4	Y68 E74 R79 V82 A240 E241	Y68-I70 HydrophobicContact CD2-CD1 4.37Å; Y68-I70 HydrophobicContact CD2-CG1 4.2Å; Y68-I70 HydrophobicContact CE2-CD1 3.98Å; Y68-I70 HydrophobicContact CE2-CG1 4.3Å; I70-E74 HydrophobicContact CG2-CB 3.69Å; I70-E74 HydrophobicContact CG2-CG 3.78Å; I70-R79 HydrophobicContact CB-CG 4.38Å; I70-R79 HydrophobicContact CD1-CB 3.69Å; I70-R79 HydrophobicContact CD1-CG 3.59Å; I70-R79 HydrophobicContact CG2-CG 4.31Å; I70-R79 PolarHBondContact O-NH2 2.94Å; I70-V82 HydrophobicContact CD1-CB 3.55Å; I70-V82 HydrophobicContact CD1-CG1 3.67Å; I70-V82 HydrophobicContact CD1-CG2 3.98Å; I70-V82 HydrophobicContact CG1-CB 4.25Å; I70-V82 HydrophobicContact CG1-CG1 3.88Å; I70-V82 HydrophobicContact CG1-CG2 4.47Å; I70-A240 HydrophobicContact CG1-CB 4.45Å; I70-E241 WeakPolarHBondContact CA-OE2 3.49Å; I70-E241 HydrophobicContact CG2-CB 4.2Å; I70-E241 WeakPolarHBondContact CG2-OE2 3.16Å
71	N	93.2	Very high	92.8	Very high	52 Å²	52	38.9 Å²	38.9	28%	0.278	20%	0.195	S	C	.	.			trans	-41.9	128.5	176.7	-172.5	33	0	0	0	112.3	P73 E74 R79 E241	N71-P73 WeakPolarHBondContact OD1-CD 3.24Å; N71-E74 HydrophobicContact CB-CG 4.07Å; N71-E74 WeakPolarHBondContact O-CB 3.36Å; N71-E74 WeakPolarHBondContact O-CG 3.17Å; N71-E74 PolarHBondContact O-N 3.22Å; N71-R79 PolarHBondContact O-NH2 2.93Å; N71-R79 VanDerWaalsContact O-NH2 3.16Å; N71-E241 HydrophobicContact CB-CG 4.47Å; N71-E241 WeakPolarHBondContact CB-OE1 3.46Å; N71-E241 PolarHBondContact N-OE2 3.48Å
72	P	90.3	Very high	94.9	Very high	77 Å²	77	29.4 Å²	29.4	50%	0.5	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.4	-171.1	-29.4	35.3	0	0	0	117	E74	P72-E74 PolarHBondContact O-N 3Å
73	P	89.6	Confident	95.8	Very high	75 Å²	75	22.7 Å²	22.7	49%	0.487	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.1	176.8	-23.8	35.9	0	0	0	114.6	N71 G75	N71-P73 WeakPolarHBondContact OD1-CD 3.24Å; P73-G75 PolarHBondContact O-N 3.33Å
74	E	91.3	Very high	96.1	Very high	59 Å²	59	20.2 Å²	20.2	28%	0.276	11%	0.11	S	C	.	.			trans	-73.4	125.9	-174.4	-60.1	-61.8	179	0	0	112.8	I70 N71 P72 L78 R79	I70-E74 HydrophobicContact CG2-CB 3.69Å; I70-E74 HydrophobicContact CG2-CG 3.78Å; N71-E74 HydrophobicContact CB-CG 4.07Å; N71-E74 WeakPolarHBondContact O-CB 3.36Å; N71-E74 WeakPolarHBondContact O-CG 3.17Å; N71-E74 PolarHBondContact O-N 3.22Å; P72-E74 PolarHBondContact O-N 3Å; E74-L78 HydrophobicContact CB-CD2 3.99Å; E74-L78 HydrophobicContact CG-CD2 3.73Å; E74-L78 WeakPolarHBondContact OE2-CD2 3.31Å; E74-R79 PolarHBondContact O-NE 3.43Å
75	G	92.2	Very high	96.2	Very high	7 Å²	7	20.1 Å²	20.1	7%	0.072	11%	0.11	C	C	.	.			trans	-77.6	171.1	-175.7	0	0	0	0	0	114.5	P73 N77 L78 R79	P73-G75 PolarHBondContact O-N 3.33Å; G75-N77 VanDerWaalsContact C-N 3.3Å; G75-N77 PolarHBondContact O-N 2.86Å; G75-N77 VanDerWaalsContact O-N 3.14Å; G75-L78 PolarHBondContact O-N 3.44Å; G75-R79 WeakPolarHBondContact O-CG 3.36Å; G75-R79 PolarHBondContact O-N 2.9Å; G75-R79 VanDerWaalsContact O-N 3.15Å
76	F	95.3	Very high	96.2	Very high	13 Å²	13	19.3 Å²	19.3	6%	0.057	11%	0.106	C	C	.	.	H	α-helix	trans	-48.7	-45.5	-174	-175.5	-113.6	0	0	0	114.1	R79 R80 W106 L109 F127 F128 I389	F76-R79 PolarHBondContact O-N 2.87Å; F76-R80 WeakPolarHBondContact O-CG 3.43Å; F76-R80 PolarHBondContact O-N 3.11Å; F76-W106 HydrophobicContact CD2-CD2 4.22Å; F76-W106 AromaticContact CD2-CE3 3.47Å; F76-W106 HydrophobicContact CD2-CE3 3.47Å; F76-W106 VanDerWaalsContact CD2-CE3 3.47Å; F76-W106 AromaticContact CD2-CH2 3.92Å; F76-W106 HydrophobicContact CD2-CH2 3.92Å; F76-W106 AromaticContact CD2-CZ3 3.29Å; F76-W106 HydrophobicContact CD2-CZ3 3.29Å; F76-W106 AromaticContact CE2-CD2 3.82Å; F76-W106 HydrophobicContact CE2-CD2 3.82Å; F76-W106 AromaticContact CE2-CE2 3.98Å; F76-W106 AromaticContact CE2-CE3 3.52Å; F76-W106 HydrophobicContact CE2-CE3 3.52Å; F76-W106 AromaticContact CE2-CH2 3.59Å; F76-W106 HydrophobicContact CE2-CH2 3.59Å; F76-W106 AromaticContact CE2-CZ2 3.88Å; F76-W106 HydrophobicContact CE2-CZ2 3.88Å; F76-W106 AromaticContact CE2-CZ3 3.39Å; F76-W106 HydrophobicContact CE2-CZ3 3.39Å; F76-W106 HydrophobicContact CG-CZ3 4.32Å; F76-W106 HydrophobicContact CZ-CH2 4.33Å; F76-W106 HydrophobicContact CZ-CZ3 4.48Å; F76-L109 HydrophobicContact CB-CD1 3.66Å; F76-L109 HydrophobicContact CD2-CD1 3.86Å; F76-L109 HydrophobicContact CG-CD1 4.27Å; F76-F127 AromaticContact CE2-CD2 3.78Å; F76-F127 HydrophobicContact CE2-CD2 3.78Å; F76-F127 HydrophobicContact CE2-CE2 4.06Å; F76-F127 HydrophobicContact CE2-CG 4.49Å; F76-F127 HydrophobicContact CZ-CB 4.49Å; F76-F127 HydrophobicContact CZ-CD2 4.02Å; F76-F127 HydrophobicContact CZ-CG 4.29Å; F76-F128 HydrophobicContact CZ-CE2 4.13Å; F76-F128 HydrophobicContact CZ-CZ 4.26Å; F76-I389 HydrophobicContact CE1-CD1 4.12Å; F76-I389 HydrophobicContact CE1-CG1 3.99Å; F76-I389 HydrophobicContact CZ-CD1 3.93Å; F76-I389 HydrophobicContact CZ-CG1 4.31Å
77	N	96.2	Very high	96.2	Very high	12 Å²	12	19.3 Å²	19.3	6%	0.064	11%	0.106	C	C	.	.	H	α-helix	trans	-78.3	-30.3	-173.4	-65.6	-64.6	0	0	0	114	G75 R79 R80 D81 Q392 F409 R412	G75-N77 VanDerWaalsContact C-N 3.3Å; G75-N77 PolarHBondContact O-N 2.86Å; G75-N77 VanDerWaalsContact O-N 3.14Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R80 PolarHBondContact O-N 3.05Å; N77-R80 PolarHBondContact OD1-NH1 3.21Å; N77-D81 PolarHBondContact O-N 3.14Å; N77-Q392 PolarHBondContact ND2-NE2 3.2Å; N77-Q392 PolarHBondContact OD1-NE2 2.94Å; N77-F409 VanDerWaalsContact ND2-CD2 3.3Å; N77-F409 WeakPolarHBondContact ND2-CD2 3.24Å; N77-R412 HydrophobicContact CB-CG 3.91Å
78	L	95.9	Very high	96.1	Very high	33 Å²	33	19.8 Å²	19.8	17%	0.173	11%	0.11	C	C	.	.	H	α-helix	trans	-69.6	-37.3	170.4	-168.1	80	0	0	0	110.3	E74 G75 R80 D81 V82 T408	E74-L78 HydrophobicContact CB-CD2 3.99Å; E74-L78 HydrophobicContact CG-CD2 3.73Å; E74-L78 WeakPolarHBondContact OE2-CD2 3.31Å; G75-L78 PolarHBondContact O-N 3.44Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.31Å; L78-D81 WeakPolarHBondContact O-CA 3.25Å; L78-D81 VanDerWaalsContact O-CB 3.26Å; L78-D81 WeakPolarHBondContact O-CB 3.39Å; L78-D81 PolarHBondContact O-N 2.96Å; L78-V82 PolarHBondContact O-N 3.32Å; L78-T408 HydrophobicContact CB-CG2 4.35Å; L78-T408 HydrophobicContact CD1-CG2 3.99Å
79	R	97.6	Very high	96.1	Very high	27 Å²	27	19.7 Å²	19.7	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-35.8	176.4	-63.9	-176.8	172.9	-103.3	-8.4	112.9	D69 I70 N71 E74 G75 F76 N77 D81 V82 Y83 W106	D69-R79 IonicContact OD1-NH1 3.52Å; D69-R79 PolarHBondContact OD1-NH1 3.41Å; D69-R79 VanDerWaalsContact OD1-NH1 3.07Å; I70-R79 HydrophobicContact CB-CG 4.38Å; I70-R79 HydrophobicContact CD1-CB 3.69Å; I70-R79 HydrophobicContact CD1-CG 3.59Å; I70-R79 HydrophobicContact CG2-CG 4.31Å; I70-R79 PolarHBondContact O-NH2 2.94Å; N71-R79 PolarHBondContact O-NH2 2.93Å; N71-R79 VanDerWaalsContact O-NH2 3.16Å; E74-R79 PolarHBondContact O-NE 3.43Å; G75-R79 WeakPolarHBondContact O-CG 3.36Å; G75-R79 PolarHBondContact O-N 2.9Å; G75-R79 VanDerWaalsContact O-N 3.15Å; F76-R79 PolarHBondContact O-N 2.87Å; N77-R79 VanDerWaalsContact C-N 3.34Å; R79-D81 VanDerWaalsContact C-N 3.32Å; R79-V82 PolarHBondContact O-N 3.27Å; R79-Y83 PolarHBondContact O-N 3.47Å; R79-W106 HydrophobicContact CB-CH2 4.47Å; R79-W106 HydrophobicContact CB-CZ3 3.93Å
80	R	98	Very high	96.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.8	-34.9	170.3	-68.1	168.4	61.5	-168.4	5.9	112.9	F76 N77 L78 Y83 W106 F128 M260	F76-R80 WeakPolarHBondContact O-CG 3.43Å; F76-R80 PolarHBondContact O-N 3.11Å; N77-R80 PolarHBondContact O-N 3.05Å; N77-R80 PolarHBondContact OD1-NH1 3.21Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.31Å; R80-Y83 WeakPolarHBondContact O-CB 3.43Å; R80-W106 HydrophobicContact CG-CH2 3.97Å; R80-F128 HydrophobicContact CG-CE2 4.45Å; R80-F128 HydrophobicContact CG-CZ 4Å; R80-M260 HydrophobicContact CB-CE 3.78Å; R80-M260 HydrophobicContact CG-CE 3.95Å
81	D	97.9	Very high	96.2	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.064	12%	0.116	C	C	.	.	H	α-helix	trans	-68.9	-42.5	174.7	-172.7	76	0	0	0	111.6	N77 L78 R79 Y83 I84 R85 H245 R412	N77-D81 PolarHBondContact O-N 3.14Å; L78-D81 WeakPolarHBondContact O-CA 3.25Å; L78-D81 VanDerWaalsContact O-CB 3.26Å; L78-D81 WeakPolarHBondContact O-CB 3.39Å; L78-D81 PolarHBondContact O-N 2.96Å; R79-D81 VanDerWaalsContact C-N 3.32Å; D81-Y83 VanDerWaalsContact C-N 3.32Å; D81-Y83 PolarHBondContact O-N 2.78Å; D81-I84 WeakPolarHBondContact O-CB 3.48Å; D81-I84 PolarHBondContact O-N 3.02Å; D81-I84 VanDerWaalsContact O-N 3.08Å; D81-R85 PolarHBondContact O-N 2.94Å; D81-R85 IonicContact OD2-CZ 2.8Å; D81-R85 IonicContact OD2-NE 3.62Å; D81-R85 PolarHBondContact OD2-NE 2.49Å; D81-R85 IonicContact OD2-NH2 3.56Å; D81-R85 PolarHBondContact OD2-NH2 3.16Å; D81-H245 PolarHBondContact O-CE1 3.14Å; D81-H245 IonicContact OD1-CE1 3.5Å; D81-H245 PolarHBondContact OD1-CE1 2.91Å; D81-H245 IonicContact OD1-NE2 3.34Å; D81-H245 PolarHBondContact OD1-NE2 3.38Å; D81-H245 IonicContact OD2-CD2 2.87Å; D81-H245 IonicContact OD2-CE1 3.58Å; D81-H245 IonicContact OD2-NE2 3.68Å; D81-H245 PolarHBondContact OD2-NE2 2.76Å; D81-R412 IonicContact OD1-CZ 2.8Å; D81-R412 IonicContact OD1-NH1 3.82Å; D81-R412 IonicContact OD1-NH2 3.44Å; D81-R412 PolarHBondContact OD1-NH2 3.38Å
82	V	98.5	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-34.1	176.1	177	0	0	0	0	112	Y68 I70 L78 R79 I84 R85 M86 A240 E241	Y68-V82 HydrophobicContact CD2-CG1 4.31Å; Y68-V82 HydrophobicContact CE2-CG1 4.22Å; I70-V82 HydrophobicContact CD1-CB 3.55Å; I70-V82 HydrophobicContact CD1-CG1 3.67Å; I70-V82 HydrophobicContact CD1-CG2 3.98Å; I70-V82 HydrophobicContact CG1-CB 4.25Å; I70-V82 HydrophobicContact CG1-CG1 3.88Å; I70-V82 HydrophobicContact CG1-CG2 4.47Å; L78-V82 PolarHBondContact O-N 3.32Å; R79-V82 PolarHBondContact O-N 3.27Å; V82-I84 PolarHBondContact O-N 2.87Å; V82-R85 WeakPolarHBondContact O-CB 3.44Å; V82-R85 PolarHBondContact O-N 3.25Å; V82-M86 HydrophobicContact CG1-CG 4.27Å; V82-M86 WeakPolarHBondContact O-CG 3.43Å; V82-M86 PolarHBondContact O-N 3.44Å; V82-A240 HydrophobicContact CG1-CB 3.79Å; V82-E241 HydrophobicContact CG2-CB 3.99Å
83	Y	98.7	Very high	96.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-52.9	-41.1	170.4	167.3	-95.1	0	0	0	112	Y68 R79 R80 D81 R85 M86 A87 L101 L103 W124 L133 V139 T256 M260	Y68-Y83 WeakPolarHBondContact OH-CB 3.43Å; R79-Y83 PolarHBondContact O-N 3.47Å; R80-Y83 WeakPolarHBondContact O-CB 3.43Å; D81-Y83 VanDerWaalsContact C-N 3.32Å; D81-Y83 PolarHBondContact O-N 2.78Å; Y83-R85 VanDerWaalsContact C-N 3.29Å; Y83-R85 PolarHBondContact O-N 2.78Å; Y83-M86 PolarHBondContact O-N 3.41Å; Y83-A87 HydrophobicContact CE1-CB 4.41Å; Y83-A87 VanDerWaalsContact O-CB 3.27Å; Y83-A87 WeakPolarHBondContact O-CB 3.4Å; Y83-A87 PolarHBondContact O-N 3.27Å; Y83-L101 HydrophobicContact CD2-CD2 4.03Å; Y83-L101 HydrophobicContact CE2-CD2 3.64Å; Y83-L103 HydrophobicContact CD2-CD2 4.14Å; Y83-L103 HydrophobicContact CE2-CD2 3.69Å; Y83-W124 AromaticContact CD2-CH2 3.73Å; Y83-W124 HydrophobicContact CD2-CH2 3.73Å; Y83-W124 HydrophobicContact CD2-CZ2 4.41Å; Y83-W124 HydrophobicContact CD2-CZ3 4.03Å; Y83-W124 HydrophobicContact CE2-CZ3 4.47Å; Y83-W124 AromaticContact CG-CH2 3.79Å; Y83-W124 HydrophobicContact CG-CH2 3.79Å; Y83-W124 HydrophobicContact CG-CZ3 4.11Å; Y83-L133 HydrophobicContact CE1-CD2 3.95Å; Y83-L133 WeakPolarHBondContact OH-CD2 3.5Å; Y83-V139 HydrophobicContact CE2-CG1 4.42Å; Y83-T256 HydrophobicContact CD1-CG2 4.34Å; Y83-T256 HydrophobicContact CE1-CG2 3.86Å; Y83-M260 HydrophobicContact CD1-CE 3.65Å; Y83-M260 HydrophobicContact CD1-CG 3.99Å; Y83-M260 HydrophobicContact CD1-SD 3.58Å; Y83-M260 VanDerWaalsContact CD1-SD 3.58Å; Y83-M260 HydrophobicContact CE1-CE 4.28Å; Y83-M260 HydrophobicContact CE1-CG 3.78Å; Y83-M260 HydrophobicContact CE1-SD 4.02Å; Y83-M260 HydrophobicContact CG-CE 4.23Å
84	I	98.6	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-39.7	178.9	-60.5	166.7	0	0	0	110.8	D81 V82 S88 Y253 T256 R257 M260	D81-I84 WeakPolarHBondContact O-CB 3.48Å; D81-I84 PolarHBondContact O-N 3.02Å; D81-I84 VanDerWaalsContact O-N 3.08Å; V82-I84 PolarHBondContact O-N 2.87Å; I84-S88 WeakPolarHBondContact O-CB 3.35Å; I84-S88 PolarHBondContact O-N 3.15Å; I84-S88 PolarHBondContact O-OG 3.41Å; I84-Y253 HydrophobicContact CD1-CE2 3.99Å; I84-Y253 HydrophobicContact CG2-CD2 3.65Å; I84-Y253 HydrophobicContact CG2-CE2 4Å; I84-Y253 HydrophobicContact CG2-CG 4.36Å; I84-T256 HydrophobicContact CB-CG2 4.14Å; I84-T256 HydrophobicContact CG1-CG2 4.03Å; I84-T256 HydrophobicContact CG2-CG2 4.03Å; I84-R257 HydrophobicContact CD1-CB 4.09Å; I84-M260 HydrophobicContact CD1-SD 4.34Å; I84-M260 HydrophobicContact CG1-SD 4.02Å
85	R	98.4	Very high	97.1	Very high	25 Å²	25	22.7 Å²	22.7	9%	0.094	10%	0.098	C	C	.	.	H	α-helix	trans	-63.4	-47.2	176.9	-52.1	-177.4	-160	174.8	5.5	111	D81 V82 Y83 S88 L89 A219 E241 V243 H245	D81-R85 PolarHBondContact O-N 2.94Å; D81-R85 IonicContact OD2-CZ 2.8Å; D81-R85 IonicContact OD2-NE 3.62Å; D81-R85 PolarHBondContact OD2-NE 2.49Å; D81-R85 IonicContact OD2-NH2 3.56Å; D81-R85 PolarHBondContact OD2-NH2 3.16Å; V82-R85 WeakPolarHBondContact O-CB 3.44Å; V82-R85 PolarHBondContact O-N 3.25Å; Y83-R85 VanDerWaalsContact C-N 3.29Å; Y83-R85 PolarHBondContact O-N 2.78Å; R85-S88 WeakPolarHBondContact O-CB 3.42Å; R85-S88 PolarHBondContact O-N 3.06Å; R85-L89 PolarHBondContact O-N 3.03Å; R85-A219 HydrophobicContact CB-CB 4.12Å; R85-A219 WeakPolarHBondContact O-CB 3.41Å; R85-E241 PolarHBondContact NH1-O 3.33Å; R85-V243 WeakPolarHBondContact CD-O 3.41Å; R85-V243 PolarHBondContact NH1-O 2.75Å; R85-H245 VanDerWaalsContact CG-CE1 3.49Å; R85-H245 WeakPolarHBondContact CG-CE1 3.17Å; R85-H245 PolarHBondContact NE-NE2 3.04Å
86	M	98.7	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-40.5	179.6	-63.4	-58.4	100.6	0	0	112.4	Y68 V82 Y83 S88 L89 V90 L101 A219 L237 A240 V243	Y68-M86 HydrophobicContact CD1-CB 4.12Å; Y68-M86 HydrophobicContact CD1-CG 3.85Å; Y68-M86 HydrophobicContact CD2-CG 3.78Å; Y68-M86 HydrophobicContact CE1-CB 4.15Å; Y68-M86 HydrophobicContact CE1-CG 4.16Å; Y68-M86 HydrophobicContact CE2-CG 4.09Å; Y68-M86 HydrophobicContact CG-CB 4.43Å; Y68-M86 HydrophobicContact CG-CG 3.66Å; Y68-M86 HydrophobicContact CG-SD 4.31Å; V82-M86 HydrophobicContact CG1-CG 4.27Å; V82-M86 WeakPolarHBondContact O-CG 3.43Å; V82-M86 PolarHBondContact O-N 3.44Å; Y83-M86 PolarHBondContact O-N 3.41Å; M86-S88 VanDerWaalsContact C-N 3.28Å; M86-S88 PolarHBondContact O-N 2.95Å; M86-L89 WeakPolarHBondContact O-CB 3.15Å; M86-L89 PolarHBondContact O-N 2.91Å; M86-V90 WeakPolarHBondContact O-CG2 3.44Å; M86-V90 PolarHBondContact O-N 3.1Å; M86-L101 HydrophobicContact CB-CD1 4.26Å; M86-A219 HydrophobicContact CE-CB 4.22Å; M86-L237 HydrophobicContact SD-CD1 3.93Å; M86-A240 HydrophobicContact CE-CB 4.2Å; M86-A240 HydrophobicContact CG-CB 4.45Å; M86-A240 HydrophobicContact SD-CB 3.96Å; M86-V243 HydrophobicContact CE-CG2 3.51Å
87	A	98.4	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-37.8	173	0	0	0	0	0	111.8	Y83 V90 K91 L101 V137 T256	Y83-A87 HydrophobicContact CE1-CB 4.41Å; Y83-A87 VanDerWaalsContact O-CB 3.27Å; Y83-A87 WeakPolarHBondContact O-CB 3.4Å; Y83-A87 PolarHBondContact O-N 3.27Å; A87-V90 PolarHBondContact O-N 2.77Å; A87-K91 WeakPolarHBondContact O-CG 3.37Å; A87-K91 PolarHBondContact O-N 2.98Å; A87-L101 HydrophobicContact CB-CD2 4.4Å; A87-V137 HydrophobicContact CB-CG1 4.3Å; A87-V137 HydrophobicContact CB-CG2 3.87Å; A87-T256 HydrophobicContact CB-CG2 3.59Å
88	S	97.9	Very high	96.7	Very high	11 Å²	11	33.2 Å²	33.2	8%	0.077	15%	0.152	C	C	.	.	H	α-helix	trans	-65.7	-43.6	175.7	-55.6	0	0	0	0	111.5	I84 R85 M86 V90 K91 T92	I84-S88 WeakPolarHBondContact O-CB 3.35Å; I84-S88 PolarHBondContact O-N 3.15Å; I84-S88 PolarHBondContact O-OG 3.41Å; R85-S88 WeakPolarHBondContact O-CB 3.42Å; R85-S88 PolarHBondContact O-N 3.06Å; M86-S88 VanDerWaalsContact C-N 3.28Å; M86-S88 PolarHBondContact O-N 2.95Å; S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 2.9Å; S88-K91 WeakPolarHBondContact O-CB 3.47Å; S88-K91 PolarHBondContact O-N 3.38Å; S88-T92 PolarHBondContact O-N 2.96Å; S88-T92 PolarHBondContact O-OG1 3.49Å
89	L	98.3	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-44.9	171.2	171	58.3	0	0	0	111.7	L66 R85 M86 K91 T92 L93 A219 L222 A223 L226 L237	L66-L89 HydrophobicContact CD2-CD2 4.01Å; L66-L89 HydrophobicContact CD2-CG 4.3Å; R85-L89 PolarHBondContact O-N 3.03Å; M86-L89 WeakPolarHBondContact O-CB 3.15Å; M86-L89 PolarHBondContact O-N 2.91Å; L89-K91 PolarHBondContact O-N 3.21Å; L89-T92 WeakPolarHBondContact O-CB 3.18Å; L89-T92 PolarHBondContact O-N 2.97Å; L89-T92 VanDerWaalsContact O-N 3.12Å; L89-L93 HydrophobicContact CD1-CD1 4.03Å; L89-L93 HydrophobicContact CD1-CD2 4.49Å; L89-L93 HydrophobicContact CD1-CG 3.95Å; L89-L93 HydrophobicContact CG-CD1 3.94Å; L89-L93 HydrophobicContact CG-CG 4.34Å; L89-L93 WeakPolarHBondContact O-CG 3.34Å; L89-L93 PolarHBondContact O-N 3.15Å; L89-A219 HydrophobicContact CB-CB 4.13Å; L89-A219 WeakPolarHBondContact CD1-O 3.49Å; L89-L222 HydrophobicContact CD1-CB 4.25Å; L89-L222 HydrophobicContact CD2-CB 4.18Å; L89-L222 HydrophobicContact CD2-CD1 4.1Å; L89-A223 HydrophobicContact CD1-CB 3.9Å; L89-L226 HydrophobicContact CD1-CD1 4.34Å; L89-L226 HydrophobicContact CD2-CD1 4.02Å; L89-L237 HydrophobicContact CD2-CD1 3.75Å
90	V	98.1	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-39.8	177.2	171.8	0	0	0	0	112	L66 M86 A87 S88 T92 L93 R94 W99 L101	L66-V90 HydrophobicContact CB-CG2 4.21Å; L66-V90 HydrophobicContact CD2-CG2 3.47Å; L66-V90 VanDerWaalsContact CD2-CG2 3.47Å; L66-V90 HydrophobicContact CG-CG2 4.47Å; M86-V90 WeakPolarHBondContact O-CG2 3.44Å; M86-V90 PolarHBondContact O-N 3.1Å; A87-V90 PolarHBondContact O-N 2.77Å; S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 2.9Å; V90-T92 VanDerWaalsContact C-N 3.27Å; V90-T92 PolarHBondContact O-N 3.22Å; V90-L93 PolarHBondContact O-N 3.21Å; V90-R94 HydrophobicContact CG1-CG 4.14Å; V90-R94 WeakPolarHBondContact O-CB 3.36Å; V90-R94 VanDerWaalsContact O-CG 3.29Å; V90-R94 WeakPolarHBondContact O-CG 3.18Å; V90-R94 PolarHBondContact O-N 2.74Å; V90-W99 HydrophobicContact CG1-CB 4.34Å; V90-L101 HydrophobicContact CG2-CB 4.1Å; V90-L101 HydrophobicContact CG2-CD1 4.23Å
91	K	97.4	Very high	96.8	Very high	42 Å²	42	31 Å²	31	18%	0.183	14%	0.142	C	C	.	.	H	α-helix	trans	-57.7	-41.4	172.6	-71.5	176.5	176.8	-177.5	0	111.7	A87 S88 L89 N136 V137 D252 T256	A87-K91 WeakPolarHBondContact O-CG 3.37Å; A87-K91 PolarHBondContact O-N 2.98Å; S88-K91 WeakPolarHBondContact O-CB 3.47Å; S88-K91 PolarHBondContact O-N 3.38Å; L89-K91 PolarHBondContact O-N 3.21Å; K91-N136 WeakPolarHBondContact CE-OD1 3.21Å; K91-N136 PolarHBondContact NZ-OD1 3.36Å; K91-V137 HydrophobicContact CD-CG1 4.15Å; K91-V137 HydrophobicContact CG-CG1 3.5Å; K91-D252 PolarHBondContact NZ-O 2.87Å; K91-T256 PolarHBondContact NZ-OG1 3.24Å; K91-T256 VanDerWaalsContact NZ-OG1 3.08Å
92	T	97.1	Very high	96.9	Very high	26 Å²	26	30.5 Å²	30.5	16%	0.16	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-45.3	175.9	-64.1	0	0	0	0	111.8	S88 L89 V90 R94 R95 S220 A223	S88-T92 PolarHBondContact O-N 2.96Å; S88-T92 PolarHBondContact O-OG1 3.49Å; L89-T92 WeakPolarHBondContact O-CB 3.18Å; L89-T92 PolarHBondContact O-N 2.97Å; L89-T92 VanDerWaalsContact O-N 3.12Å; V90-T92 VanDerWaalsContact C-N 3.27Å; V90-T92 PolarHBondContact O-N 3.22Å; T92-R94 VanDerWaalsContact C-N 3.3Å; T92-R94 PolarHBondContact O-N 3.32Å; T92-R95 WeakPolarHBondContact O-CB 3.41Å; T92-R95 WeakPolarHBondContact O-CG 3.48Å; T92-R95 PolarHBondContact O-N 3.12Å; T92-S220 WeakPolarHBondContact CB-OG 3.13Å; T92-S220 PolarHBondContact OG1-OG 3.09Å; T92-A223 HydrophobicContact CG2-CB 3.7Å
93	L	96.4	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-39.5	178.5	-72.2	170.9	0	0	0	112.3	L66 L89 V90 R95 H96 S97 W99 A223 L226 Q227	L66-L93 HydrophobicContact CD2-CD1 4.43Å; L89-L93 HydrophobicContact CD1-CD1 4.03Å; L89-L93 HydrophobicContact CD1-CD2 4.49Å; L89-L93 HydrophobicContact CD1-CG 3.95Å; L89-L93 HydrophobicContact CG-CD1 3.94Å; L89-L93 HydrophobicContact CG-CG 4.34Å; L89-L93 WeakPolarHBondContact O-CG 3.34Å; L89-L93 PolarHBondContact O-N 3.15Å; V90-L93 PolarHBondContact O-N 3.21Å; L93-R95 PolarHBondContact O-N 3.22Å; L93-R95 VanDerWaalsContact O-N 3.16Å; L93-H96 PolarHBondContact O-N 3.45Å; L93-S97 PolarHBondContact O-N 3.02Å; L93-W99 HydrophobicContact CB-CB 4.3Å; L93-W99 HydrophobicContact CB-CD2 4.3Å; L93-W99 HydrophobicContact CB-CG 3.81Å; L93-W99 HydrophobicContact CD1-CD2 3.88Å; L93-W99 HydrophobicContact CD1-CE3 4.17Å; L93-W99 HydrophobicContact CD1-CG 4.17Å; L93-W99 HydrophobicContact CD1-CZ2 4.35Å; L93-W99 HydrophobicContact CD2-CZ2 4.29Å; L93-A223 HydrophobicContact CD2-CB 3.87Å; L93-A223 HydrophobicContact CG-CB 4.37Å; L93-L226 HydrophobicContact CD1-CD1 3.93Å; L93-L226 HydrophobicContact CD2-CB 3.91Å; L93-L226 HydrophobicContact CD2-CD1 4.29Å; L93-Q227 HydrophobicContact CD2-CG 3.81Å; L93-Q227 PolarHBondContact O-NE2 3.03Å
94	R	95.4	Very high	96.9	Very high	93 Å²	93	31 Å²	31	35%	0.351	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.1	179.7	-74.2	-170.5	70.4	82	14.9	115.4	V90 T92 H96 S97 D98 W99	V90-R94 HydrophobicContact CG1-CG 4.14Å; V90-R94 WeakPolarHBondContact O-CB 3.36Å; V90-R94 VanDerWaalsContact O-CG 3.29Å; V90-R94 WeakPolarHBondContact O-CG 3.18Å; V90-R94 PolarHBondContact O-N 2.74Å; T92-R94 VanDerWaalsContact C-N 3.3Å; T92-R94 PolarHBondContact O-N 3.32Å; R94-H96 PolarHBondContact O-N 3Å; R94-S97 VanDerWaalsContact CA-O 3.29Å; R94-S97 WeakPolarHBondContact CA-O 3.31Å; R94-D98 IonicContact CZ-OD1 2.67Å; R94-D98 IonicContact NH1-OD1 2.96Å; R94-D98 IonicContact NH2-OD1 3.62Å; R94-D98 PolarHBondContact NH2-OD1 3.49Å; R94-W99 WeakPolarHBondContact CD-O 3.48Å; R94-W99 HydrophobicContact CG-CB 4.07Å; R94-W99 PolarHBondContact NH1-O 3.25Å
95	R	94.6	Very high	96.8	Very high	175 Å²	175	31.5 Å²	31.5	66%	0.66	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.7	170.6	-63.7	179.3	-178	169.4	2.6	112.6	T92 L93	T92-R95 WeakPolarHBondContact O-CB 3.41Å; T92-R95 WeakPolarHBondContact O-CG 3.48Å; T92-R95 PolarHBondContact O-N 3.12Å; L93-R95 PolarHBondContact O-N 3.22Å; L93-R95 VanDerWaalsContact O-N 3.16Å
96	H	90.1	Very high	96.7	Very high	145 Å²	145	30.7 Å²	30.7	67%	0.671	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-28.5	-173.7	-61.6	-70.2	0	0	0	114.7	L93 R94	L93-H96 PolarHBondContact O-N 3.45Å; R94-H96 PolarHBondContact O-N 3Å
97	S	90.3	Very high	96.2	Very high	45 Å²	45	31.3 Å²	31.3	32%	0.315	15%	0.149	S	C	.	.	S	Bend	trans	-145.3	157.7	-177.7	-48.2	0	0	0	0	111.2	L93 R94 W99	L93-S97 PolarHBondContact O-N 3.02Å; R94-S97 VanDerWaalsContact CA-O 3.29Å; R94-S97 WeakPolarHBondContact CA-O 3.31Å; S97-W99 PolarHBondContact O-N 3.21Å
98	D	94.5	Very high	95.2	Very high	63 Å²	63	39.3 Å²	39.3	34%	0.337	18%	0.18	S	C	.	.			trans	-76.6	112.9	177	-81.9	-47.4	0	0	0	111	L63 R64 R94	L63-D98 HydrophobicContact CD1-CB 3.94Å; R64-D98 PolarHBondContact N-O 3.39Å; R94-D98 IonicContact CZ-OD1 2.67Å; R94-D98 IonicContact NH1-OD1 2.96Å; R94-D98 IonicContact NH2-OD1 3.62Å; R94-D98 PolarHBondContact NH2-OD1 3.49Å
99	W	97.4	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.6	175.6	-74.8	82.8	0	0	0	111.5	R64 L66 V90 L93 R94 S97 P138 L226 V235	R64-W99 HydrophobicContact CB-CD2 3.64Å; R64-W99 HydrophobicContact CB-CE3 3.61Å; R64-W99 HydrophobicContact CB-CG 4.31Å; R64-W99 HydrophobicContact CB-CH2 4.04Å; R64-W99 HydrophobicContact CB-CZ2 4.07Å; R64-W99 HydrophobicContact CB-CZ3 3.8Å; R64-W99 VanDerWaalsContact CZ-CH2 3.45Å; R64-W99 VanDerWaalsContact NH1-CZ2 3.34Å; R64-W99 CarbonylContact O-C 3.59Å; R64-W99 VanDerWaalsContact O-CA 3.28Å; R64-W99 WeakPolarHBondContact O-CA 3.26Å; L66-W99 HydrophobicContact CB-CE3 3.98Å; L66-W99 HydrophobicContact CB-CZ3 4.17Å; L66-W99 HydrophobicContact CD1-CZ3 4.43Å; V90-W99 HydrophobicContact CG1-CB 4.34Å; L93-W99 HydrophobicContact CB-CB 4.3Å; L93-W99 HydrophobicContact CB-CD2 4.3Å; L93-W99 HydrophobicContact CB-CG 3.81Å; L93-W99 HydrophobicContact CD1-CD2 3.88Å; L93-W99 HydrophobicContact CD1-CE3 4.17Å; L93-W99 HydrophobicContact CD1-CG 4.17Å; L93-W99 HydrophobicContact CD1-CZ2 4.35Å; L93-W99 HydrophobicContact CD2-CZ2 4.29Å; R94-W99 WeakPolarHBondContact CD-O 3.48Å; R94-W99 HydrophobicContact CG-CB 4.07Å; R94-W99 PolarHBondContact NH1-O 3.25Å; S97-W99 PolarHBondContact O-N 3.21Å; W99-P138 VanDerWaalsContact O-CG 3.24Å; W99-P138 WeakPolarHBondContact O-CG 3.38Å; W99-L226 HydrophobicContact CH2-CB 4.38Å; W99-L226 HydrophobicContact CZ2-CB 4.3Å; W99-V235 HydrophobicContact CH2-CG2 4.19Å; W99-V235 HydrophobicContact CZ3-CG2 4.48Å
100	V	98.2	Very high	93.1	Very high	13 Å²	13	47 Å²	47	8%	0.079	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135	173.2	178	0	0	0	0	108.6	L63 R64 Y65 L66 P138 I140	L63-V100 HydrophobicContact CD1-CG2 3.55Å; L63-V100 HydrophobicContact CD2-CG2 4.31Å; L63-V100 HydrophobicContact CG-CG2 4.19Å; R64-V100 PolarHBondContact O-N 2.86Å; Y65-V100 WeakPolarHBondContact CA-O 3.46Å; Y65-V100 HydrophobicContact CD1-CB 4.2Å; Y65-V100 HydrophobicContact CE1-CB 4.44Å; L66-V100 PolarHBondContact N-O 3.38Å; V100-P138 HydrophobicContact CG2-CB 4.3Å; V100-I140 HydrophobicContact CG1-CB 4.35Å; V100-I140 HydrophobicContact CG1-CD1 4.04Å; V100-I140 HydrophobicContact CG1-CG1 3.78Å; V100-I140 HydrophobicContact CG1-CG2 3.92Å
101	L	98.8	Very high	91.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.4	173.9	-177.3	60.5	0	0	0	109.3	L66 Y68 Y83 M86 A87 V90 P138 V139 I140	L66-L101 HydrophobicContact CB-CD1 4.43Å; L66-L101 HydrophobicContact CD2-CD1 4.25Å; L66-L101 HydrophobicContact CG-CD1 4.42Å; Y68-L101 HydrophobicContact CD1-CD1 3.84Å; Y68-L101 HydrophobicContact CE1-CD1 3.86Å; Y68-L101 HydrophobicContact CE1-CG 4.43Å; Y83-L101 HydrophobicContact CD2-CD2 4.03Å; Y83-L101 HydrophobicContact CE2-CD2 3.64Å; M86-L101 HydrophobicContact CB-CD1 4.26Å; A87-L101 HydrophobicContact CB-CD2 4.4Å; V90-L101 HydrophobicContact CG2-CB 4.1Å; V90-L101 HydrophobicContact CG2-CD1 4.23Å; L101-P138 PolarHBondContact N-O 2.99Å; L101-V139 HydrophobicContact CB-CG1 4.1Å; L101-V139 HydrophobicContact CD2-CG1 4.26Å; L101-V139 HydrophobicContact CG-CG1 4.49Å; L101-V139 VanDerWaalsContact O-CA 3.24Å; L101-V139 WeakPolarHBondContact O-CA 3.33Å; L101-I140 PolarHBondContact O-N 3.15Å; L101-I140 VanDerWaalsContact O-N 3.12Å
102	V	98.8	Very high	91.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.8	172.6	-172.5	0	0	0	0	108.2	Y65 L66 L67 I140 Y142 F145	Y65-V102 HydrophobicContact CD1-CG2 3.89Å; Y65-V102 HydrophobicContact CG-CG2 4.37Å; L66-V102 PolarHBondContact O-N 3.5Å; L67-V102 HydrophobicContact CB-CB 4.5Å; L67-V102 HydrophobicContact CD1-CG2 4.49Å; L67-V102 HydrophobicContact CD2-CB 4.04Å; L67-V102 HydrophobicContact CD2-CG1 4Å; L67-V102 HydrophobicContact CD2-CG2 4.27Å; L67-V102 HydrophobicContact CG-CB 3.79Å; L67-V102 HydrophobicContact CG-CG1 4.32Å; L67-V102 HydrophobicContact CG-CG2 3.88Å; V102-I140 HydrophobicContact CG2-CD1 4.28Å; V102-I140 HydrophobicContact CG2-CG1 4.16Å; V102-Y142 HydrophobicContact CG1-CD2 3.93Å; V102-F145 HydrophobicContact CB-CB 4.45Å; V102-F145 HydrophobicContact CG1-CB 3.65Å; V102-F145 HydrophobicContact CG1-CG 4.13Å; V102-F145 HydrophobicContact CG2-CB 3.89Å; V102-F145 HydrophobicContact CG2-CD2 3.95Å; V102-F145 HydrophobicContact CG2-CG 3.98Å
103	L	98.8	Very high	90.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.5	-176.5	-61.9	178.3	0	0	0	110.3	Y83 P105 W124 L130 L133 V139 I140	Y83-L103 HydrophobicContact CD2-CD2 4.14Å; Y83-L103 HydrophobicContact CE2-CD2 3.69Å; L103-P105 WeakPolarHBondContact O-CD 3.25Å; L103-W124 HydrophobicContact CB-CB 4.41Å; L103-W124 VanDerWaalsContact CB-CD1 3.46Å; L103-W124 HydrophobicContact CB-CD2 4.15Å; L103-W124 HydrophobicContact CB-CG 3.77Å; L103-W124 HydrophobicContact CD1-CB 3.67Å; L103-W124 HydrophobicContact CD1-CD2 4.12Å; L103-W124 HydrophobicContact CD1-CG 3.75Å; L103-W124 HydrophobicContact CD2-CD2 4.17Å; L103-W124 HydrophobicContact CD2-CE3 4.41Å; L103-W124 HydrophobicContact CG-CD2 4.39Å; L103-W124 HydrophobicContact CG-CG 4.22Å; L103-L130 HydrophobicContact CD1-CD2 3.62Å; L103-L133 HydrophobicContact CD1-CD1 4.14Å; L103-V139 HydrophobicContact CD1-CB 4.05Å; L103-V139 HydrophobicContact CD1-CG2 4.15Å; L103-V139 HydrophobicContact CD2-CB 4.01Å; L103-V139 HydrophobicContact CD2-CG1 3.91Å; L103-V139 HydrophobicContact CG-CB 3.98Å; L103-V139 HydrophobicContact CG-CG1 4.43Å; L103-I140 WeakPolarHBondContact CG-O 3.14Å; L103-I140 PolarHBondContact N-O 3.02Å
104	P	98.1	Very high	89.3	Confident	12 Å²	12	53.2 Å²	53.2	8%	0.078	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-72.5	124.1	-178.5	26.4	-32.5	0	0	0	110.7	Y68 W106 W124 W200	Y68-P104 HydrophobicContact CD1-CG 4.34Å; Y68-P104 HydrophobicContact CD2-CG 4.33Å; Y68-P104 VanDerWaalsContact CE1-CD 3.4Å; Y68-P104 HydrophobicContact CE1-CG 3.79Å; Y68-P104 HydrophobicContact CE2-CG 3.78Å; Y68-P104 VanDerWaalsContact CZ-CG 3.47Å; Y68-P104 WeakPolarHBondContact O-CB 3.37Å; P104-W106 PolarHBondContact O-N 2.75Å; P104-W124 HydrophobicContact CG-CZ2 4.32Å; P104-W124 PolarHBondContact O-NE1 2.61Å; P104-W200 HydrophobicContact CB-CD2 4.49Å; P104-W200 HydrophobicContact CB-CZ2 4.19Å
105	P	97.6	Very high	88.4	Confident	9 Å²	9	54.1 Å²	54.1	6%	0.058	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-57.4	141.1	179.8	-27.3	37.2	0	0	0	112	L103 I122 Y142 W200 Y202	L103-P105 WeakPolarHBondContact O-CD 3.25Å; P105-I122 CarbonylContact C-O 3.58Å; P105-I122 WeakPolarHBondContact CA-O 3.41Å; P105-Y142 VanDerWaalsContact CG-CB 3.48Å; P105-Y142 HydrophobicContact CG-CD1 3.97Å; P105-Y142 HydrophobicContact CG-CG 3.96Å; P105-W200 HydrophobicContact CB-CB 4.11Å; P105-W200 HydrophobicContact CG-CB 4.15Å; P105-W200 HydrophobicContact CG-CG 4.48Å; P105-Y202 HydrophobicContact CB-CE2 4.22Å; P105-Y202 HydrophobicContact CG-CE2 3.83Å
106	W	95.9	Very high	87.9	Confident	9 Å²	9	52.9 Å²	52.9	3%	0.034	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-75.4	140	177.9	-50.3	89.9	0	0	0	110.4	F76 R79 R80 P104 L109 W112 I120 R121 I122 W124 F127 F128	F76-W106 HydrophobicContact CD2-CD2 4.22Å; F76-W106 AromaticContact CD2-CE3 3.47Å; F76-W106 HydrophobicContact CD2-CE3 3.47Å; F76-W106 VanDerWaalsContact CD2-CE3 3.47Å; F76-W106 AromaticContact CD2-CH2 3.92Å; F76-W106 HydrophobicContact CD2-CH2 3.92Å; F76-W106 AromaticContact CD2-CZ3 3.29Å; F76-W106 HydrophobicContact CD2-CZ3 3.29Å; F76-W106 AromaticContact CE2-CD2 3.82Å; F76-W106 HydrophobicContact CE2-CD2 3.82Å; F76-W106 AromaticContact CE2-CE2 3.98Å; F76-W106 AromaticContact CE2-CE3 3.52Å; F76-W106 HydrophobicContact CE2-CE3 3.52Å; F76-W106 AromaticContact CE2-CH2 3.59Å; F76-W106 HydrophobicContact CE2-CH2 3.59Å; F76-W106 AromaticContact CE2-CZ2 3.88Å; F76-W106 HydrophobicContact CE2-CZ2 3.88Å; F76-W106 AromaticContact CE2-CZ3 3.39Å; F76-W106 HydrophobicContact CE2-CZ3 3.39Å; F76-W106 HydrophobicContact CG-CZ3 4.32Å; F76-W106 HydrophobicContact CZ-CH2 4.33Å; F76-W106 HydrophobicContact CZ-CZ3 4.48Å; R79-W106 HydrophobicContact CB-CH2 4.47Å; R79-W106 HydrophobicContact CB-CZ3 3.93Å; R80-W106 HydrophobicContact CG-CH2 3.97Å; P104-W106 PolarHBondContact O-N 2.75Å; W106-L109 HydrophobicContact CE3-CD1 4.31Å; W106-W112 HydrophobicContact CB-CH2 3.78Å; W106-W112 HydrophobicContact CB-CZ2 4.23Å; W106-I120 CarbonylContact O-C 3.59Å; W106-R121 PolarHBondContact O-N 3.2Å; W106-R121 VanDerWaalsContact O-N 3.08Å; W106-I122 HydrophobicContact CB-CB 4.12Å; W106-I122 PolarHBondContact N-O 3.34Å; W106-I122 PolarHBondContact O-N 3.19Å; W106-W124 AromaticContact CD1-CD1 3.94Å; W106-W124 AromaticContact CE2-CD2 3.9Å; W106-W124 AromaticContact CE2-CE2 3.64Å; W106-W124 AromaticContact CE2-CZ2 3.99Å; W106-W124 AromaticContact CE2-NE1 3.76Å; W106-W124 AromaticContact CH2-CH2 3.87Å; W106-W124 HydrophobicContact CH2-CH2 3.87Å; W106-W124 AromaticContact CH2-CZ2 3.84Å; W106-W124 HydrophobicContact CH2-CZ2 3.84Å; W106-W124 HydrophobicContact CH2-CZ3 4.42Å; W106-W124 AromaticContact CZ2-CD2 3.71Å; W106-W124 HydrophobicContact CZ2-CD2 3.71Å; W106-W124 AromaticContact CZ2-CE2 3.44Å; W106-W124 VanDerWaalsContact CZ2-CE2 3.44Å; W106-W124 AromaticContact CZ2-CE3 3.85Å; W106-W124 HydrophobicContact CZ2-CE3 3.85Å; W106-W124 HydrophobicContact CZ2-CG 4.47Å; W106-W124 AromaticContact CZ2-CH2 3.51Å; W106-W124 HydrophobicContact CZ2-CH2 3.51Å; W106-W124 AromaticContact CZ2-CZ2 3.36Å; W106-W124 HydrophobicContact CZ2-CZ2 3.36Å; W106-W124 AromaticContact CZ2-CZ3 3.76Å; W106-W124 HydrophobicContact CZ2-CZ3 3.76Å; W106-W124 AromaticContact NE1-CD1 3.34Å; W106-W124 VanDerWaalsContact NE1-CD1 3.34Å; W106-W124 AromaticContact NE1-CD2 3.61Å; W106-W124 AromaticContact NE1-CE2 3.65Å; W106-W124 AromaticContact NE1-CG 3.45Å; W106-W124 AromaticContact NE1-NE1 3.45Å; W106-F127 HydrophobicContact CB-CE2 4.01Å; W106-F127 AromaticContact CD1-CD2 3.54Å; W106-F127 AromaticContact CD1-CE2 3.65Å; W106-F127 HydrophobicContact CD2-CD2 4.11Å; W106-F127 HydrophobicContact CD2-CE2 4.2Å; W106-F127 AromaticContact CE2-CD2 3.91Å; W106-F127 AromaticContact CG-CD2 3.89Å; W106-F127 HydrophobicContact CG-CD2 3.89Å; W106-F127 AromaticContact CG-CE2 3.68Å; W106-F127 HydrophobicContact CG-CE2 3.68Å; W106-F127 AromaticContact NE1-CD2 3.59Å; W106-F128 HydrophobicContact CH2-CE2 4.42Å; W106-F128 HydrophobicContact CZ2-CD2 4.33Å; W106-F128 AromaticContact CZ2-CE2 3.78Å; W106-F128 HydrophobicContact CZ2-CE2 3.78Å
107	G	88.4	Confident	87.6	Confident	12 Å²	12	46.8 Å²	46.8	12%	0.124	23%	0.234	C	C	.	.			trans	178	152.4	178.7	0	0	0	0	0	113.3	L109 Q119	G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 3.01Å; G107-Q119 WeakPolarHBondContact CA-O 3.49Å
108	R	77.4	Confident	87.4	Confident	168 Å²	168	50.7 Å²	50.7	63%	0.634	25%	0.247	S	C	*	.			trans	49.3	42.3	173.6	-58.9	-177	76.6	-178.7	6.9	114.5	Q119 I120 W198	R108-Q119 PolarHBondContact N-O 3.41Å; R108-I120 HydrophobicContact CG-CG2 3.73Å; R108-W198 HydrophobicContact CB-CZ2 4.37Å; R108-W198 VanDerWaalsContact CD-CZ2 3.41Å; R108-W198 HydrophobicContact CG-CH2 3.81Å; R108-W198 HydrophobicContact CG-CZ2 3.9Å
109	L	81.3	Confident	87.2	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.042	23%	0.233	C	C	.	.			trans	-75.1	131	174.3	-61	-172.6	0	0	0	110.2	F76 W106 G107 H111 W112	F76-L109 HydrophobicContact CB-CD1 3.66Å; F76-L109 HydrophobicContact CD2-CD1 3.86Å; F76-L109 HydrophobicContact CG-CD1 4.27Å; W106-L109 HydrophobicContact CE3-CD1 4.31Å; G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 3.01Å; L109-H111 PolarHBondContact O-N 2.93Å; L109-W112 HydrophobicContact CB-CD2 3.78Å; L109-W112 HydrophobicContact CB-CE3 4.42Å; L109-W112 HydrophobicContact CB-CG 3.8Å; L109-W112 HydrophobicContact CB-CZ2 4.43Å; L109-W112 HydrophobicContact CD1-CD2 4.39Å; L109-W112 HydrophobicContact CD1-CH2 4.39Å; L109-W112 HydrophobicContact CD1-CZ2 3.55Å; L109-W112 HydrophobicContact CG-CD2 4.16Å; L109-W112 HydrophobicContact CG-CH2 4.37Å; L109-W112 HydrophobicContact CG-CZ2 3.91Å; L109-W112 WeakPolarHBondContact O-CB 3.43Å; L109-W112 PolarHBondContact O-N 3.38Å
110	Y	70.6	Confident	86.9	Confident	165 Å²	165	50.4 Å²	50.4	65%	0.647	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.7	-176.9	179.5	-103	0	0	0	113.6
111	H	73.4	Confident	86.8	Confident	54 Å²	54	54.5 Å²	54.5	25%	0.25	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.6	-178.8	-54.5	128.7	0	0	0	114.9	L109 Q113 R314 D317	L109-H111 PolarHBondContact O-N 2.93Å; H111-Q113 PolarHBondContact O-N 2.86Å; H111-Q113 PolarHBondContact O-NE2 3.47Å; H111-R314 PolarHBondContact CD2-NH2 2.83Å; H111-R314 PolarHBondContact NE2-NH2 3.46Å; H111-D317 IonicContact CD2-OD2 3.55Å; H111-D317 IonicContact CE1-OD2 3.07Å; H111-D317 IonicContact NE2-OD2 3.02Å; H111-D317 PolarHBondContact NE2-OD2 2.85Å
112	W	81.6	Confident	86.7	Confident	38 Å²	38	55 Å²	55	14%	0.144	26%	0.261	C	S	.	.			trans	-71.6	124.6	173.5	-74.1	0.2	0	0	0	109.5	W106 L109 Q119 I122 D384	W106-W112 HydrophobicContact CB-CH2 3.78Å; W106-W112 HydrophobicContact CB-CZ2 4.23Å; L109-W112 HydrophobicContact CB-CD2 3.78Å; L109-W112 HydrophobicContact CB-CE3 4.42Å; L109-W112 HydrophobicContact CB-CG 3.8Å; L109-W112 HydrophobicContact CB-CZ2 4.43Å; L109-W112 HydrophobicContact CD1-CD2 4.39Å; L109-W112 HydrophobicContact CD1-CH2 4.39Å; L109-W112 HydrophobicContact CD1-CZ2 3.55Å; L109-W112 HydrophobicContact CG-CD2 4.16Å; L109-W112 HydrophobicContact CG-CH2 4.37Å; L109-W112 HydrophobicContact CG-CZ2 3.91Å; L109-W112 WeakPolarHBondContact O-CB 3.43Å; L109-W112 PolarHBondContact O-N 3.38Å; W112-Q119 HydrophobicContact CE3-CB 3.41Å; W112-Q119 VanDerWaalsContact CE3-CB 3.41Å; W112-Q119 HydrophobicContact CE3-CG 4.28Å; W112-Q119 HydrophobicContact CH2-CB 4.5Å; W112-Q119 HydrophobicContact CZ3-CB 3.4Å; W112-Q119 HydrophobicContact CZ3-CG 4.49Å; W112-Q119 VanDerWaalsContact CZ3-O 3.23Å; W112-Q119 WeakPolarHBondContact CZ3-O 3.45Å; W112-I122 HydrophobicContact CH2-CD1 3.62Å; W112-I122 HydrophobicContact CZ3-CD1 3.85Å; W112-D384 WeakPolarHBondContact CA-OD2 3.29Å; W112-D384 HydrophobicContact CB-CB 4.17Å; W112-D384 WeakPolarHBondContact CB-OD2 3.28Å; W112-D384 HydrophobicContact CD2-CB 4.37Å; W112-D384 HydrophobicContact CG-CB 3.83Å
113	Q	73.9	Confident	86.6	Confident	87 Å²	87	57.4 Å²	57.4	41%	0.407	28%	0.276	S	S	.	.			trans	-93.1	-14.1	-165.7	-58	-58.8	-27.7	0	0	112.8	H111 P115 D384	H111-Q113 PolarHBondContact O-N 2.86Å; H111-Q113 PolarHBondContact O-NE2 3.47Å; Q113-P115 VanDerWaalsContact C-CD 3.49Å; Q113-P115 WeakPolarHBondContact O-CD 3.2Å; Q113-D384 PolarHBondContact N-OD2 2.88Å
114	S	79.4	Confident	86.6	Confident	19 Å²	19	57.5 Å²	57.5	13%	0.133	28%	0.277	C	S	.	.			trans	-105.5	83	-172	-51.9	0	0	0	0	110.3	D116 I117 Q119 D384	S114-D116 PolarHBondContact O-N 3.17Å; S114-I117 PolarHBondContact O-N 3.41Å; S114-Q119 PolarHBondContact O-NE2 3.24Å; S114-Q119 VanDerWaalsContact O-NE2 3.1Å; S114-D384 WeakPolarHBondContact CB-OD1 3.11Å; S114-D384 PolarHBondContact N-OD2 3.4Å; S114-D384 PolarHBondContact OG-OD1 2.82Å
115	P	77.8	Confident	86.6	Confident	113 Å²	113	58.3 Å²	58.3	73%	0.734	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.4	-177.9	29.7	-37.3	0	0	0	112.6	Q113 I117	Q113-P115 VanDerWaalsContact C-CD 3.49Å; Q113-P115 WeakPolarHBondContact O-CD 3.2Å; P115-I117 PolarHBondContact O-N 3Å
116	D	83.2	Confident	86.6	Confident	148 Å²	148	61.7 Å²	61.7	79%	0.791	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.3	-177.5	-60.2	-42	0	0	0	113	S114	S114-D116 PolarHBondContact O-N 3.17Å
117	I	85	Confident	86.7	Confident	17 Å²	17	61.4 Å²	61.4	9%	0.087	30%	0.301	C	S	.	.	S	Bend	trans	-104	133.7	178.6	-58.8	176.6	0	0	0	108.9	S114 P115 Q119 L379 K383	S114-I117 PolarHBondContact O-N 3.41Å; P115-I117 PolarHBondContact O-N 3Å; I117-Q119 HydrophobicContact CB-CG 4.04Å; I117-Q119 HydrophobicContact CG2-CG 3.76Å; I117-Q119 WeakPolarHBondContact O-CG 3.49Å; I117-Q119 PolarHBondContact O-N 3.33Å; I117-L379 HydrophobicContact CD1-CB 4.23Å; I117-L379 HydrophobicContact CD1-CD2 3.77Å; I117-L379 HydrophobicContact CD1-CG 3.51Å; I117-K383 HydrophobicContact CG2-CD 3.95Å
118	H	86.1	Confident	87.2	Confident	127 Å²	127	60.9 Å²	60.9	59%	0.588	30%	0.296	S	S	*	.			trans	-70.1	105.5	172.5	-166.8	72.7	0	0	0	110	I120	H118-I120 WeakPolarHBondContact CE1-CD1 3.44Å; H118-I120 WeakPolarHBondContact CE1-CG1 3.28Å; H118-I120 WeakPolarHBondContact NE2-CG1 3.37Å
119	Q	89.4	Confident	88.2	Confident	13 Å²	13	54.2 Å²	54.2	6%	0.061	28%	0.275	C	S	.	.			trans	-124.3	69.6	-177.3	-54.8	-170.6	83.8	0	0	110.1	G107 R108 W112 S114 I117 I122 K383 D384	G107-Q119 WeakPolarHBondContact CA-O 3.49Å; R108-Q119 PolarHBondContact N-O 3.41Å; W112-Q119 HydrophobicContact CE3-CB 3.41Å; W112-Q119 VanDerWaalsContact CE3-CB 3.41Å; W112-Q119 HydrophobicContact CE3-CG 4.28Å; W112-Q119 HydrophobicContact CH2-CB 4.5Å; W112-Q119 HydrophobicContact CZ3-CB 3.4Å; W112-Q119 HydrophobicContact CZ3-CG 4.49Å; W112-Q119 VanDerWaalsContact CZ3-O 3.23Å; W112-Q119 WeakPolarHBondContact CZ3-O 3.45Å; S114-Q119 PolarHBondContact O-NE2 3.24Å; S114-Q119 VanDerWaalsContact O-NE2 3.1Å; I117-Q119 HydrophobicContact CB-CG 4.04Å; I117-Q119 HydrophobicContact CG2-CG 3.76Å; I117-Q119 WeakPolarHBondContact O-CG 3.49Å; I117-Q119 PolarHBondContact O-N 3.33Å; Q119-I122 HydrophobicContact CB-CD1 4.17Å; Q119-K383 HydrophobicContact CG-CD 4.26Å; Q119-D384 PolarHBondContact NE2-OD2 2.88Å
120	I	91.9	Very high	89	Confident	44 Å²	44	55.9 Å²	55.9	23%	0.226	28%	0.284	C	S	.	.	S	Bend	trans	-140.2	157.5	170.9	62.1	170	0	0	0	109.3	W106 R108 H118 I122	W106-I120 CarbonylContact O-C 3.59Å; R108-I120 HydrophobicContact CG-CG2 3.73Å; H118-I120 WeakPolarHBondContact CE1-CD1 3.44Å; H118-I120 WeakPolarHBondContact CE1-CG1 3.28Å; H118-I120 WeakPolarHBondContact NE2-CG1 3.37Å; I120-I122 PolarHBondContact O-N 2.8Å
121	R	95	Very high	90.3	Very high	100 Å²	100	53.3 Å²	53.3	38%	0.377	29%	0.285	S	S	.	.	S	Bend	trans	57.7	32.4	177.9	-55.8	-174.6	-78.1	-175.6	-5	113.4	W106 W200 Y202	W106-R121 PolarHBondContact O-N 3.2Å; W106-R121 VanDerWaalsContact O-N 3.08Å; R121-W200 WeakPolarHBondContact CG-O 3.29Å; R121-Y202 HydrophobicContact CB-CE2 3.76Å; R121-Y202 HydrophobicContact CG-CD2 3.79Å; R121-Y202 HydrophobicContact CG-CE2 3.38Å
122	I	96.8	Very high	91.4	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.056	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-80.2	126.7	-179.3	-47.3	173.9	0	0	0	108.3	P105 W106 W112 Q119 I120 E126 F127 K383	P105-I122 CarbonylContact C-O 3.58Å; P105-I122 WeakPolarHBondContact CA-O 3.41Å; W106-I122 HydrophobicContact CB-CB 4.12Å; W106-I122 PolarHBondContact N-O 3.34Å; W106-I122 PolarHBondContact O-N 3.19Å; W112-I122 HydrophobicContact CH2-CD1 3.62Å; W112-I122 HydrophobicContact CZ3-CD1 3.85Å; Q119-I122 HydrophobicContact CB-CD1 4.17Å; I120-I122 PolarHBondContact O-N 2.8Å; I122-E126 HydrophobicContact CG2-CB 4.02Å; I122-E126 HydrophobicContact CG2-CG 3.78Å; I122-F127 HydrophobicContact CD1-CZ 4.37Å; I122-F127 HydrophobicContact CG2-CE2 4.17Å; I122-F127 HydrophobicContact CG2-CZ 4.06Å; I122-K383 HydrophobicContact CD1-CB 4.25Å; I122-K383 HydrophobicContact CD1-CG 4.03Å
123	P	97.7	Very high	92.2	Very high	51 Å²	51	49.3 Å²	49.3	33%	0.331	27%	0.27	S	S	.	.			trans	-71.4	159.4	178.8	27.2	-29.6	0	0	0	111.4	G125 E126 E141	P123-G125 VanDerWaalsContact C-N 3.26Å; P123-G125 PolarHBondContact O-N 3.05Å; P123-E126 HydrophobicContact CG-CG 4.02Å; P123-E126 PolarHBondContact O-N 3.09Å; P123-E141 HydrophobicContact CB-CG 4.44Å; P123-E141 WeakPolarHBondContact CB-OE1 3.33Å
124	W	98.6	Very high	93.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.008	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-66.9	-28.9	177	-80.8	61.5	0	0	0	113	Y83 L103 P104 W106 E126 F127 F128 L130 L133 E141 M260	Y83-W124 AromaticContact CD2-CH2 3.73Å; Y83-W124 HydrophobicContact CD2-CH2 3.73Å; Y83-W124 HydrophobicContact CD2-CZ2 4.41Å; Y83-W124 HydrophobicContact CD2-CZ3 4.03Å; Y83-W124 HydrophobicContact CE2-CZ3 4.47Å; Y83-W124 AromaticContact CG-CH2 3.79Å; Y83-W124 HydrophobicContact CG-CH2 3.79Å; Y83-W124 HydrophobicContact CG-CZ3 4.11Å; L103-W124 HydrophobicContact CB-CB 4.41Å; L103-W124 VanDerWaalsContact CB-CD1 3.46Å; L103-W124 HydrophobicContact CB-CD2 4.15Å; L103-W124 HydrophobicContact CB-CG 3.77Å; L103-W124 HydrophobicContact CD1-CB 3.67Å; L103-W124 HydrophobicContact CD1-CD2 4.12Å; L103-W124 HydrophobicContact CD1-CG 3.75Å; L103-W124 HydrophobicContact CD2-CD2 4.17Å; L103-W124 HydrophobicContact CD2-CE3 4.41Å; L103-W124 HydrophobicContact CG-CD2 4.39Å; L103-W124 HydrophobicContact CG-CG 4.22Å; P104-W124 HydrophobicContact CG-CZ2 4.32Å; P104-W124 PolarHBondContact O-NE1 2.61Å; W106-W124 AromaticContact CD1-CD1 3.94Å; W106-W124 AromaticContact CE2-CD2 3.9Å; W106-W124 AromaticContact CE2-CE2 3.64Å; W106-W124 AromaticContact CE2-CZ2 3.99Å; W106-W124 AromaticContact CE2-NE1 3.76Å; W106-W124 AromaticContact CH2-CH2 3.87Å; W106-W124 HydrophobicContact CH2-CH2 3.87Å; W106-W124 AromaticContact CH2-CZ2 3.84Å; W106-W124 HydrophobicContact CH2-CZ2 3.84Å; W106-W124 HydrophobicContact CH2-CZ3 4.42Å; W106-W124 AromaticContact CZ2-CD2 3.71Å; W106-W124 HydrophobicContact CZ2-CD2 3.71Å; W106-W124 AromaticContact CZ2-CE2 3.44Å; W106-W124 VanDerWaalsContact CZ2-CE2 3.44Å; W106-W124 AromaticContact CZ2-CE3 3.85Å; W106-W124 HydrophobicContact CZ2-CE3 3.85Å; W106-W124 HydrophobicContact CZ2-CG 4.47Å; W106-W124 AromaticContact CZ2-CH2 3.51Å; W106-W124 HydrophobicContact CZ2-CH2 3.51Å; W106-W124 AromaticContact CZ2-CZ2 3.36Å; W106-W124 HydrophobicContact CZ2-CZ2 3.36Å; W106-W124 AromaticContact CZ2-CZ3 3.76Å; W106-W124 HydrophobicContact CZ2-CZ3 3.76Å; W106-W124 AromaticContact NE1-CD1 3.34Å; W106-W124 VanDerWaalsContact NE1-CD1 3.34Å; W106-W124 AromaticContact NE1-CD2 3.61Å; W106-W124 AromaticContact NE1-CE2 3.65Å; W106-W124 AromaticContact NE1-CG 3.45Å; W106-W124 AromaticContact NE1-NE1 3.45Å; W124-E126 PolarHBondContact O-N 2.94Å; W124-E126 VanDerWaalsContact O-N 3.11Å; W124-F127 PolarHBondContact O-N 3.09Å; W124-F128 HydrophobicContact CD2-CD2 4.49Å; W124-F128 AromaticContact CE3-CD2 3.61Å; W124-F128 HydrophobicContact CE3-CD2 3.61Å; W124-F128 HydrophobicContact CE3-CE2 4.19Å; W124-F128 HydrophobicContact CE3-CG 4.31Å; W124-F128 AromaticContact CZ3-CD2 3.99Å; W124-F128 HydrophobicContact CZ3-CD2 3.99Å; W124-F128 HydrophobicContact CZ3-CE2 4.18Å; W124-F128 PolarHBondContact O-N 3.26Å; W124-L130 HydrophobicContact CB-CD2 4.04Å; W124-L133 HydrophobicContact CE3-CD1 4.06Å; W124-E141 WeakPolarHBondContact CA-OE1 3.09Å; W124-E141 WeakPolarHBondContact CB-OE1 3.3Å; W124-E141 VanDerWaalsContact N-CD 3.34Å; W124-E141 PolarHBondContact N-OE1 2.8Å; W124-E141 PolarHBondContact N-OE2 3.32Å; W124-E141 VanDerWaalsContact N-OE2 3.08Å; W124-M260 HydrophobicContact CZ3-CE 4.06Å
125	G	98.1	Very high	94.2	Very high	30 Å²	30	51.1 Å²	51.1	31%	0.309	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55	-24.4	176.2	0	0	0	0	0	114.9	P123 F127 F128 E141	P123-G125 VanDerWaalsContact C-N 3.26Å; P123-G125 PolarHBondContact O-N 3.05Å; G125-F127 VanDerWaalsContact C-N 3.33Å; G125-F128 WeakPolarHBondContact CA-O 3.33Å; G125-E141 PolarHBondContact N-OE1 3.24Å
126	E	97.4	Very high	95.2	Very high	80 Å²	80	47.1 Å²	47.1	37%	0.374	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-67.7	-34.7	173.4	-63.7	-55.9	151.8	0	0	111.8	I122 P123 W124 S263 H265	I122-E126 HydrophobicContact CG2-CB 4.02Å; I122-E126 HydrophobicContact CG2-CG 3.78Å; P123-E126 HydrophobicContact CG-CG 4.02Å; P123-E126 PolarHBondContact O-N 3.09Å; W124-E126 PolarHBondContact O-N 2.94Å; W124-E126 VanDerWaalsContact O-N 3.11Å; E126-S263 WeakPolarHBondContact O-CB 3.3Å; E126-S263 PolarHBondContact O-OG 3.44Å; E126-H265 PolarHBondContact O-CE1 3.09Å
127	F	98.4	Very high	95.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-31	-172.3	-60.7	-31.9	0	0	0	113.8	F76 W106 I122 W124 G125 F262 S263 L266 K383 G386 I389	F76-F127 AromaticContact CE2-CD2 3.78Å; F76-F127 HydrophobicContact CE2-CD2 3.78Å; F76-F127 HydrophobicContact CE2-CE2 4.06Å; F76-F127 HydrophobicContact CE2-CG 4.49Å; F76-F127 HydrophobicContact CZ-CB 4.49Å; F76-F127 HydrophobicContact CZ-CD2 4.02Å; F76-F127 HydrophobicContact CZ-CG 4.29Å; W106-F127 HydrophobicContact CB-CE2 4.01Å; W106-F127 AromaticContact CD1-CD2 3.54Å; W106-F127 AromaticContact CD1-CE2 3.65Å; W106-F127 HydrophobicContact CD2-CD2 4.11Å; W106-F127 HydrophobicContact CD2-CE2 4.2Å; W106-F127 AromaticContact CE2-CD2 3.91Å; W106-F127 AromaticContact CG-CD2 3.89Å; W106-F127 HydrophobicContact CG-CD2 3.89Å; W106-F127 AromaticContact CG-CE2 3.68Å; W106-F127 HydrophobicContact CG-CE2 3.68Å; W106-F127 AromaticContact NE1-CD2 3.59Å; I122-F127 HydrophobicContact CD1-CZ 4.37Å; I122-F127 HydrophobicContact CG2-CE2 4.17Å; I122-F127 HydrophobicContact CG2-CZ 4.06Å; W124-F127 PolarHBondContact O-N 3.09Å; G125-F127 VanDerWaalsContact C-N 3.33Å; F127-F262 WeakPolarHBondContact O-CA 3.24Å; F127-S263 PolarHBondContact O-N 3.31Å; F127-L266 HydrophobicContact CD1-CD1 4.32Å; F127-K383 HydrophobicContact CZ-CB 4.41Å; F127-G386 VanDerWaalsContact CE1-N 3.29Å; F127-I389 HydrophobicContact CB-CD1 3.61Å; F127-I389 HydrophobicContact CD1-CD1 4.25Å; F127-I389 HydrophobicContact CG-CD1 4.09Å
128	F	98.6	Very high	96.4	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-133.7	150.9	-172.7	-60.7	-79.1	0	0	0	112	F76 R80 W106 W124 G125 L130 L133 M260 V261 F262 I389	F76-F128 HydrophobicContact CZ-CE2 4.13Å; F76-F128 HydrophobicContact CZ-CZ 4.26Å; R80-F128 HydrophobicContact CG-CE2 4.45Å; R80-F128 HydrophobicContact CG-CZ 4Å; W106-F128 HydrophobicContact CH2-CE2 4.42Å; W106-F128 HydrophobicContact CZ2-CD2 4.33Å; W106-F128 AromaticContact CZ2-CE2 3.78Å; W106-F128 HydrophobicContact CZ2-CE2 3.78Å; W124-F128 HydrophobicContact CD2-CD2 4.49Å; W124-F128 AromaticContact CE3-CD2 3.61Å; W124-F128 HydrophobicContact CE3-CD2 3.61Å; W124-F128 HydrophobicContact CE3-CE2 4.19Å; W124-F128 HydrophobicContact CE3-CG 4.31Å; W124-F128 AromaticContact CZ3-CD2 3.99Å; W124-F128 HydrophobicContact CZ3-CD2 3.99Å; W124-F128 HydrophobicContact CZ3-CE2 4.18Å; W124-F128 PolarHBondContact O-N 3.26Å; G125-F128 WeakPolarHBondContact CA-O 3.33Å; F128-L130 PolarHBondContact O-N 3.13Å; F128-L133 HydrophobicContact CB-CD1 4.15Å; F128-M260 HydrophobicContact CD1-CB 4.25Å; F128-M260 HydrophobicContact CE1-CB 4.31Å; F128-M260 HydrophobicContact CE1-CE 4.32Å; F128-M260 HydrophobicContact CZ-CE 4.32Å; F128-V261 CarbonylContact C-O 3.59Å; F128-V261 WeakPolarHBondContact CA-O 3.29Å; F128-F262 HydrophobicContact CD1-CD1 4.06Å; F128-F262 AromaticContact CE1-CD1 3.63Å; F128-F262 HydrophobicContact CE1-CD1 3.63Å; F128-F262 AromaticContact CE1-CE1 3.76Å; F128-F262 HydrophobicContact CE1-CE1 3.76Å; F128-F262 HydrophobicContact CZ-CD1 4.41Å; F128-F262 HydrophobicContact CZ-CE1 4.34Å; F128-I389 HydrophobicContact CZ-CD1 4.25Å
129	S	98	Very high	97	Very high	29 Å²	29	35.5 Å²	35.5	20%	0.203	21%	0.207	C	C	.	.			trans	-72.1	107.8	171.7	172.6	0	0	0	0	110.4	T131 S132 L133 V261	S129-T131 VanDerWaalsContact C-N 3.29Å; S129-T131 PolarHBondContact O-N 2.64Å; S129-S132 VanDerWaalsContact CB-OG 3.29Å; S129-S132 WeakPolarHBondContact CB-OG 3.38Å; S129-S132 WeakPolarHBondContact O-CB 2.91Å; S129-S132 PolarHBondContact O-N 3.13Å; S129-S132 PolarHBondContact OG-N 2.78Å; S129-S132 PolarHBondContact OG-OG 2.8Å; S129-L133 PolarHBondContact O-N 2.87Å; S129-L133 VanDerWaalsContact O-N 3.09Å; S129-V261 PolarHBondContact N-O 3.01Å
130	L	98.1	Very high	97.5	Very high	43 Å²	43	35.6 Å²	35.6	23%	0.225	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-41.7	176.6	-65.4	-177.3	0	0	0	111.9	L103 W124 F128 S132 L133 Q134 E141	L103-L130 HydrophobicContact CD1-CD2 3.62Å; W124-L130 HydrophobicContact CB-CD2 4.04Å; F128-L130 PolarHBondContact O-N 3.13Å; L130-S132 PolarHBondContact O-N 3.32Å; L130-L133 HydrophobicContact CD2-CD1 4.23Å; L130-L133 PolarHBondContact O-N 3.47Å; L130-Q134 WeakPolarHBondContact O-CB 3.32Å; L130-Q134 VanDerWaalsContact O-CG 3.24Å; L130-Q134 WeakPolarHBondContact O-CG 3.38Å; L130-Q134 PolarHBondContact O-N 3.21Å; L130-E141 HydrophobicContact CD1-CG 3.93Å
131	T	97.4	Very high	97.8	Very high	110 Å²	110	34.4 Å²	34.4	68%	0.675	20%	0.201	S	C	*	.	H	α-helix	trans	-58.5	-38	175.9	-47.8	0	0	0	0	112	S129 G135	S129-T131 VanDerWaalsContact C-N 3.29Å; S129-T131 PolarHBondContact O-N 2.64Å; T131-G135 PolarHBondContact O-N 3.06Å
132	S	97.9	Very high	98	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-68.9	-43.6	178.3	-58.6	0	0	0	0	111.3	S129 L130 G135 S259 W293	S129-S132 VanDerWaalsContact CB-OG 3.29Å; S129-S132 WeakPolarHBondContact CB-OG 3.38Å; S129-S132 WeakPolarHBondContact O-CB 2.91Å; S129-S132 PolarHBondContact O-N 3.13Å; S129-S132 PolarHBondContact OG-N 2.78Å; S129-S132 PolarHBondContact OG-OG 2.8Å; L130-S132 PolarHBondContact O-N 3.32Å; S132-G135 PolarHBondContact O-N 3.2Å; S132-S259 CarbonylContact C-O 3.6Å; S132-S259 VanDerWaalsContact CB-O 3.25Å; S132-S259 WeakPolarHBondContact CB-O 3.37Å; S132-S259 WeakPolarHBondContact O-CB 3.47Å; S132-W293 PolarHBondContact O-NE1 3.15Å
133	L	98.4	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-46.1	174.9	-62.4	174.5	0	0	0	111.2	Y83 L103 W124 F128 S129 L130 G135 N136 V137 V139 S259 M260	Y83-L133 HydrophobicContact CE1-CD2 3.95Å; Y83-L133 WeakPolarHBondContact OH-CD2 3.5Å; L103-L133 HydrophobicContact CD1-CD1 4.14Å; W124-L133 HydrophobicContact CE3-CD1 4.06Å; F128-L133 HydrophobicContact CB-CD1 4.15Å; S129-L133 PolarHBondContact O-N 2.87Å; S129-L133 VanDerWaalsContact O-N 3.09Å; L130-L133 HydrophobicContact CD2-CD1 4.23Å; L130-L133 PolarHBondContact O-N 3.47Å; L133-G135 PolarHBondContact O-N 3.2Å; L133-N136 PolarHBondContact O-N 3.45Å; L133-V137 PolarHBondContact O-N 2.91Å; L133-V137 VanDerWaalsContact O-O 3.11Å; L133-V139 HydrophobicContact CB-CG2 3.7Å; L133-S259 PolarHBondContact N-O 2.78Å; L133-M260 HydrophobicContact CD2-CB 4.32Å; L133-M260 HydrophobicContact CD2-CG 3.92Å
134	Q	97.9	Very high	98	Very high	92 Å²	92	36.6 Å²	36.6	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-60.5	-30.6	177.3	-73.7	173.2	-21.8	0	0	112.7	L130 N136 V137 V139	L130-Q134 WeakPolarHBondContact O-CB 3.32Å; L130-Q134 VanDerWaalsContact O-CG 3.24Å; L130-Q134 WeakPolarHBondContact O-CG 3.38Å; L130-Q134 PolarHBondContact O-N 3.21Å; Q134-N136 PolarHBondContact O-N 3.07Å; Q134-V137 VanDerWaalsContact CA-O 3.29Å; Q134-V137 WeakPolarHBondContact CA-O 3.22Å; Q134-V139 HydrophobicContact CB-CG2 4.47Å; Q134-V139 HydrophobicContact CG-CG2 3.49Å; Q134-V139 VanDerWaalsContact CG-CG2 3.49Å; Q134-V139 PolarHBondContact NE2-O 2.85Å
135	G	96.8	Very high	97.9	Very high	52 Å²	52	36.5 Å²	36.5	54%	0.536	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.5	172.3	0	0	0	0	0	114.3	T131 S132 L133	T131-G135 PolarHBondContact O-N 3.06Å; S132-G135 PolarHBondContact O-N 3.2Å; L133-G135 PolarHBondContact O-N 3.2Å
136	N	97.8	Very high	97.9	Very high	29 Å²	29	36.8 Å²	36.8	16%	0.155	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-48	178.6	176.2	66.1	0	0	0	113.3	K91 L133 Q134 T256 W293	K91-N136 WeakPolarHBondContact CE-OD1 3.21Å; K91-N136 PolarHBondContact NZ-OD1 3.36Å; L133-N136 PolarHBondContact O-N 3.45Å; Q134-N136 PolarHBondContact O-N 3.07Å; N136-T256 VanDerWaalsContact ND2-CA 3.35Å; N136-T256 WeakPolarHBondContact ND2-CA 3.35Å; N136-T256 WeakPolarHBondContact ND2-CB 3.39Å; N136-T256 PolarHBondContact ND2-OG1 3.47Å; N136-W293 HydrophobicContact CB-CH2 4.27Å; N136-W293 HydrophobicContact CB-CZ2 3.82Å
137	V	97.3	Very high	97.8	Very high	4 Å²	4	37 Å²	37	2%	0.024	22%	0.22	C	C	.	.	S	Bend	trans	-142.3	145.7	176.8	-71.4	0	0	0	0	109.3	A87 K91 L133 Q134 V139	A87-V137 HydrophobicContact CB-CG1 4.3Å; A87-V137 HydrophobicContact CB-CG2 3.87Å; K91-V137 HydrophobicContact CD-CG1 4.15Å; K91-V137 HydrophobicContact CG-CG1 3.5Å; L133-V137 PolarHBondContact O-N 2.91Å; L133-V137 VanDerWaalsContact O-O 3.11Å; Q134-V137 VanDerWaalsContact CA-O 3.29Å; Q134-V137 WeakPolarHBondContact CA-O 3.22Å; V137-V139 HydrophobicContact CG2-CG1 3.9Å; V137-V139 PolarHBondContact O-N 3.4Å; V137-V139 VanDerWaalsContact O-N 3.1Å
138	P	97.9	Very high	97.6	Very high	40 Å²	40	41.9 Å²	41.9	26%	0.26	24%	0.243	S	C	.	.			trans	-66.6	114.6	177.8	27.9	-33.7	0	0	0	109.6	W99 V100 L101	W99-P138 VanDerWaalsContact O-CG 3.24Å; W99-P138 WeakPolarHBondContact O-CG 3.38Å; V100-P138 HydrophobicContact CG2-CB 4.3Å; L101-P138 PolarHBondContact N-O 2.99Å
139	V	98.5	Very high	97.3	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.1	179.2	-61.9	0	0	0	0	110.4	Y83 L101 L103 L133 Q134 V137	Y83-V139 HydrophobicContact CE2-CG1 4.42Å; L101-V139 HydrophobicContact CB-CG1 4.1Å; L101-V139 HydrophobicContact CD2-CG1 4.26Å; L101-V139 HydrophobicContact CG-CG1 4.49Å; L101-V139 VanDerWaalsContact O-CA 3.24Å; L101-V139 WeakPolarHBondContact O-CA 3.33Å; L103-V139 HydrophobicContact CD1-CB 4.05Å; L103-V139 HydrophobicContact CD1-CG2 4.15Å; L103-V139 HydrophobicContact CD2-CB 4.01Å; L103-V139 HydrophobicContact CD2-CG1 3.91Å; L103-V139 HydrophobicContact CG-CB 3.98Å; L103-V139 HydrophobicContact CG-CG1 4.43Å; L133-V139 HydrophobicContact CB-CG2 3.7Å; Q134-V139 HydrophobicContact CB-CG2 4.47Å; Q134-V139 HydrophobicContact CG-CG2 3.49Å; Q134-V139 VanDerWaalsContact CG-CG2 3.49Å; Q134-V139 PolarHBondContact NE2-O 2.85Å; V137-V139 HydrophobicContact CG2-CG1 3.9Å; V137-V139 PolarHBondContact O-N 3.4Å; V137-V139 VanDerWaalsContact O-N 3.1Å
140	I	98.6	Very high	96.8	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.082	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.4	170	63.6	177.1	0	0	0	109.6	Y65 V100 L101 V102 L103 E144 F145	Y65-I140 HydrophobicContact CD1-CD1 3.89Å; Y65-I140 HydrophobicContact CE1-CD1 3.55Å; V100-I140 HydrophobicContact CG1-CB 4.35Å; V100-I140 HydrophobicContact CG1-CD1 4.04Å; V100-I140 HydrophobicContact CG1-CG1 3.78Å; V100-I140 HydrophobicContact CG1-CG2 3.92Å; L101-I140 PolarHBondContact O-N 3.15Å; L101-I140 VanDerWaalsContact O-N 3.12Å; V102-I140 HydrophobicContact CG2-CD1 4.28Å; V102-I140 HydrophobicContact CG2-CG1 4.16Å; L103-I140 WeakPolarHBondContact CG-O 3.14Å; L103-I140 PolarHBondContact N-O 3.02Å; I140-E144 HydrophobicContact CB-CB 4.14Å; I140-F145 HydrophobicContact CD1-CB 3.89Å
141	E	98.8	Very high	96.5	Very high	18 Å²	18	44.8 Å²	44.8	8%	0.084	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	160.2	170.6	-64.6	-75.2	-170.3	0	0	111.2	P123 W124 G125 L130 E143 E144 F145	P123-E141 HydrophobicContact CB-CG 4.44Å; P123-E141 WeakPolarHBondContact CB-OE1 3.33Å; W124-E141 WeakPolarHBondContact CA-OE1 3.09Å; W124-E141 WeakPolarHBondContact CB-OE1 3.3Å; W124-E141 VanDerWaalsContact N-CD 3.34Å; W124-E141 PolarHBondContact N-OE1 2.8Å; W124-E141 PolarHBondContact N-OE2 3.32Å; W124-E141 VanDerWaalsContact N-OE2 3.08Å; G125-E141 PolarHBondContact N-OE1 3.24Å; L130-E141 HydrophobicContact CD1-CG 3.93Å; E141-E143 VanDerWaalsContact C-N 3.33Å; E141-E143 PolarHBondContact O-N 3.4Å; E141-E144 HydrophobicContact CB-CG 4.29Å; E141-E144 WeakPolarHBondContact CB-OE1 3.27Å; E141-E144 PolarHBondContact N-OE1 3.27Å; E141-E144 WeakPolarHBondContact O-CB 3.3Å; E141-E144 PolarHBondContact O-N 3.31Å; E141-F145 PolarHBondContact O-N 3.32Å; E141-F145 VanDerWaalsContact O-N 3.1Å
142	Y	98.4	Very high	96.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-37	179.8	-178.1	-114.6	0	0	0	113.8	L67 V102 P105 E144 F145 I146 W200 Y202 T205	L67-Y142 HydrophobicContact CD2-CD2 4.02Å; L67-Y142 HydrophobicContact CD2-CE2 3.84Å; V102-Y142 HydrophobicContact CG1-CD2 3.93Å; P105-Y142 VanDerWaalsContact CG-CB 3.48Å; P105-Y142 HydrophobicContact CG-CD1 3.97Å; P105-Y142 HydrophobicContact CG-CG 3.96Å; Y142-E144 VanDerWaalsContact C-N 3.32Å; Y142-E144 PolarHBondContact O-N 2.78Å; Y142-F145 AromaticContact CD2-CD1 3.93Å; Y142-F145 HydrophobicContact CD2-CD1 3.93Å; Y142-F145 AromaticContact CE2-CD1 3.67Å; Y142-F145 HydrophobicContact CE2-CD1 3.67Å; Y142-F145 HydrophobicContact CE2-CE1 4.02Å; Y142-F145 WeakPolarHBondContact O-CB 3.44Å; Y142-F145 PolarHBondContact O-N 2.83Å; Y142-I146 HydrophobicContact CD1-CD1 4.03Å; Y142-I146 HydrophobicContact CE1-CD1 3.55Å; Y142-I146 HydrophobicContact CE1-CG1 4.19Å; Y142-I146 PolarHBondContact O-N 3.27Å; Y142-W200 HydrophobicContact CD1-CE3 4.45Å; Y142-W200 HydrophobicContact CD2-CE3 4.11Å; Y142-W200 AromaticContact CD2-CZ3 3.82Å; Y142-W200 HydrophobicContact CD2-CZ3 3.82Å; Y142-W200 HydrophobicContact CE1-CE3 4.23Å; Y142-W200 AromaticContact CE2-CE3 3.93Å; Y142-W200 HydrophobicContact CE2-CE3 3.93Å; Y142-W200 HydrophobicContact CE2-CH2 4.44Å; Y142-W200 AromaticContact CE2-CZ3 3.45Å; Y142-W200 HydrophobicContact CE2-CZ3 3.45Å; Y142-W200 VanDerWaalsContact CE2-CZ3 3.45Å; Y142-W200 HydrophobicContact CG-CE3 4.39Å; Y142-W200 AromaticContact CZ-CE3 3.99Å; Y142-W200 AromaticContact CZ-CZ3 3.85Å; Y142-Y202 HydrophobicContact CD1-CD1 4.35Å; Y142-Y202 AromaticContact CD1-CD2 3.78Å; Y142-Y202 HydrophobicContact CD1-CD2 3.78Å; Y142-Y202 HydrophobicContact CD1-CE1 4.15Å; Y142-Y202 AromaticContact CD1-CE2 3.57Å; Y142-Y202 HydrophobicContact CD1-CE2 3.57Å; Y142-Y202 HydrophobicContact CD1-CG 4.17Å; Y142-Y202 AromaticContact CD1-CZ 3.75Å; Y142-Y202 AromaticContact CE1-CD1 3.93Å; Y142-Y202 HydrophobicContact CE1-CD1 3.93Å; Y142-Y202 AromaticContact CE1-CD2 3.57Å; Y142-Y202 HydrophobicContact CE1-CD2 3.57Å; Y142-Y202 HydrophobicContact CE1-CE1 4.18Å; Y142-Y202 AromaticContact CE1-CE2 3.87Å; Y142-Y202 HydrophobicContact CE1-CE2 3.87Å; Y142-Y202 AromaticContact CE1-CG 3.6Å; Y142-Y202 HydrophobicContact CE1-CG 3.6Å; Y142-T205 WeakPolarHBondContact OH-CB 3.25Å; Y142-T205 WeakPolarHBondContact OH-CG2 3.39Å; Y142-T205 PolarHBondContact OH-OG1 3.42Å
143	E	97.3	Very high	96.4	Very high	126 Å²	126	44.7 Å²	44.7	59%	0.589	27%	0.272	S	S	*	.	H	α-helix	trans	-67.7	-34	177	-65.1	-169.6	169.9	0	0	112.1	E141 F145 I146 A147 Y202	E141-E143 VanDerWaalsContact C-N 3.33Å; E141-E143 PolarHBondContact O-N 3.4Å; E143-F145 VanDerWaalsContact C-N 3.35Å; E143-I146 PolarHBondContact O-N 2.76Å; E143-A147 PolarHBondContact O-N 3.47Å; E143-A147 VanDerWaalsContact O-N 3.12Å; E143-Y202 HydrophobicContact CG-CE1 4.34Å; E143-Y202 WeakPolarHBondContact CG-OH 3.28Å; E143-Y202 PolarHBondContact OE1-OH 2.96Å
144	E	97.7	Very high	96.4	Very high	80 Å²	80	44.7 Å²	44.7	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-42.4	172.1	-65.3	177	-98.3	0	0	110.5	I140 E141 Y142 I146 A147 E148	I140-E144 HydrophobicContact CB-CB 4.14Å; E141-E144 HydrophobicContact CB-CG 4.29Å; E141-E144 WeakPolarHBondContact CB-OE1 3.27Å; E141-E144 PolarHBondContact N-OE1 3.27Å; E141-E144 WeakPolarHBondContact O-CB 3.3Å; E141-E144 PolarHBondContact O-N 3.31Å; Y142-E144 VanDerWaalsContact C-N 3.32Å; Y142-E144 PolarHBondContact O-N 2.78Å; E144-I146 VanDerWaalsContact C-N 3.35Å; E144-I146 PolarHBondContact O-N 3.41Å; E144-A147 PolarHBondContact O-N 3.3Å; E144-A147 VanDerWaalsContact O-N 3.15Å; E144-E148 WeakPolarHBondContact O-CG 3.41Å; E144-E148 PolarHBondContact O-N 3.03Å
145	F	97.8	Very high	96.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-44.4	173.3	160.9	-101	0	0	0	112.5	Y65 L67 V102 I140 E141 Y142 E143 A147 E148 S149 I154	Y65-F145 AromaticContact CD1-CD2 3.72Å; Y65-F145 HydrophobicContact CD1-CD2 3.72Å; Y65-F145 HydrophobicContact CD1-CE2 4.36Å; Y65-F145 HydrophobicContact CD2-CD2 4.12Å; Y65-F145 AromaticContact CD2-CE2 4Å; Y65-F145 HydrophobicContact CD2-CE2 4Å; Y65-F145 HydrophobicContact CE1-CD2 4.2Å; Y65-F145 AromaticContact CG-CD2 3.66Å; Y65-F145 HydrophobicContact CG-CD2 3.66Å; Y65-F145 AromaticContact CG-CE2 3.82Å; Y65-F145 HydrophobicContact CG-CE2 3.82Å; L67-F145 HydrophobicContact CD1-CE2 4.45Å; L67-F145 HydrophobicContact CD1-CZ 4.33Å; L67-F145 HydrophobicContact CD2-CD1 4Å; L67-F145 HydrophobicContact CD2-CE1 3.9Å; L67-F145 HydrophobicContact CD2-CG 4.47Å; L67-F145 HydrophobicContact CD2-CZ 4.3Å; V102-F145 HydrophobicContact CB-CB 4.45Å; V102-F145 HydrophobicContact CG1-CB 3.65Å; V102-F145 HydrophobicContact CG1-CG 4.13Å; V102-F145 HydrophobicContact CG2-CB 3.89Å; V102-F145 HydrophobicContact CG2-CD2 3.95Å; V102-F145 HydrophobicContact CG2-CG 3.98Å; I140-F145 HydrophobicContact CD1-CB 3.89Å; E141-F145 PolarHBondContact O-N 3.32Å; E141-F145 VanDerWaalsContact O-N 3.1Å; Y142-F145 AromaticContact CD2-CD1 3.93Å; Y142-F145 HydrophobicContact CD2-CD1 3.93Å; Y142-F145 AromaticContact CE2-CD1 3.67Å; Y142-F145 HydrophobicContact CE2-CD1 3.67Å; Y142-F145 HydrophobicContact CE2-CE1 4.02Å; Y142-F145 WeakPolarHBondContact O-CB 3.44Å; Y142-F145 PolarHBondContact O-N 2.83Å; E143-F145 VanDerWaalsContact C-N 3.35Å; F145-A147 VanDerWaalsContact C-N 3.27Å; F145-A147 PolarHBondContact O-N 3.41Å; F145-E148 PolarHBondContact O-N 3.27Å; F145-S149 VanDerWaalsContact O-CB 3.26Å; F145-S149 WeakPolarHBondContact O-CB 3.4Å; F145-S149 PolarHBondContact O-N 3.19Å; F145-S149 PolarHBondContact O-OG 2.58Å; F145-I154 HydrophobicContact CE1-CG1 4.38Å; F145-I154 HydrophobicContact CZ-CG1 4.5Å
146	I	96.8	Very high	96.4	Very high	36 Å²	36	42 Å²	42	19%	0.185	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-41.8	177.3	-66.9	172.9	0	0	0	110.5	Y142 E143 E144 G151 P152 Y202	Y142-I146 HydrophobicContact CD1-CD1 4.03Å; Y142-I146 HydrophobicContact CE1-CD1 3.55Å; Y142-I146 HydrophobicContact CE1-CG1 4.19Å; Y142-I146 PolarHBondContact O-N 3.27Å; E143-I146 PolarHBondContact O-N 2.76Å; E144-I146 VanDerWaalsContact C-N 3.35Å; E144-I146 PolarHBondContact O-N 3.41Å; I146-G151 PolarHBondContact O-N 3.08Å; I146-G151 VanDerWaalsContact O-N 3.13Å; I146-P152 HydrophobicContact CD1-CB 4.15Å; I146-P152 HydrophobicContact CG1-CB 4.17Å; I146-P152 HydrophobicContact CG2-CB 4.32Å; I146-Y202 HydrophobicContact CD1-CD1 4.4Å
147	A	95.8	Very high	96.5	Very high	84 Å²	84	40.7 Å²	40.7	69%	0.694	24%	0.239	S	C	*	.	H	α-helix	trans	-68.1	-42.1	179.7	0	0	0	0	0	112.5	E143 E144 F145	E143-A147 PolarHBondContact O-N 3.47Å; E143-A147 VanDerWaalsContact O-N 3.12Å; E144-A147 PolarHBondContact O-N 3.3Å; E144-A147 VanDerWaalsContact O-N 3.15Å; F145-A147 VanDerWaalsContact C-N 3.27Å; F145-A147 PolarHBondContact O-N 3.41Å
148	E	94.4	Very high	96.5	Very high	106 Å²	106	40.7 Å²	40.7	50%	0.495	24%	0.239	S	C	.	.	H	α-helix	trans	-76.5	-38.5	-177.8	-69.8	-172.8	174.2	0	0	113.6	Y65 E144 F145 G150	Y65-E148 WeakPolarHBondContact OH-CB 3.48Å; Y65-E148 PolarHBondContact OH-OE2 3.09Å; E144-E148 WeakPolarHBondContact O-CG 3.41Å; E144-E148 PolarHBondContact O-N 3.03Å; F145-E148 PolarHBondContact O-N 3.27Å; E148-G150 VanDerWaalsContact C-N 3.25Å; E148-G150 PolarHBondContact O-N 3.07Å
149	S	91.2	Very high	96.5	Very high	49 Å²	49	39.4 Å²	39.4	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-78.3	-7.9	-177.4	62.3	0	0	0	0	113.8	F145 G151	F145-S149 VanDerWaalsContact O-CB 3.26Å; F145-S149 WeakPolarHBondContact O-CB 3.4Å; F145-S149 PolarHBondContact O-N 3.19Å; F145-S149 PolarHBondContact O-OG 2.58Å; S149-G151 PolarHBondContact OG-O 3.46Å
150	G	88.9	Confident	96.5	Very high	74 Å²	74	39.2 Å²	39.2	76%	0.763	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	10.9	-179.5	0	0	0	0	0	114.6	E148	E148-G150 VanDerWaalsContact C-N 3.25Å; E148-G150 PolarHBondContact O-N 3.07Å
151	G	92.1	Very high	96.4	Very high	11 Å²	11	39.4 Å²	39.4	11%	0.113	23%	0.229	C	C	.	.	S	Bend	trans	157.7	175.7	172.1	0	0	0	0	0	113.9	I146 S149 F153	I146-G151 PolarHBondContact O-N 3.08Å; I146-G151 VanDerWaalsContact O-N 3.13Å; S149-G151 PolarHBondContact OG-O 3.46Å; G151-F153 PolarHBondContact O-N 3.37Å
152	P	95.2	Very high	96.2	Very high	26 Å²	26	43.7 Å²	43.7	17%	0.169	25%	0.253	C	S	.	.	S	Bend	trans	-83.4	50.5	-176	37.9	-38.7	0	0	0	111.6	I146 E204 T205 R206	I146-P152 HydrophobicContact CD1-CB 4.15Å; I146-P152 HydrophobicContact CG1-CB 4.17Å; I146-P152 HydrophobicContact CG2-CB 4.32Å; P152-E204 HydrophobicContact CB-CG 4.08Å; P152-E204 HydrophobicContact CG-CB 4.24Å; P152-E204 HydrophobicContact CG-CG 4.04Å; P152-T205 CarbonylContact O-C 3.53Å; P152-T205 WeakPolarHBondContact O-CA 3.3Å; P152-R206 PolarHBondContact O-N 3.34Å
153	F	97.2	Very high	96	Very high	90 Å²	90	44.1 Å²	44.1	40%	0.395	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.6	-178.2	-66.7	-85.4	0	0	0	111.2	G151 Y194 R206 S234	G151-F153 PolarHBondContact O-N 3.37Å; F153-Y194 HydrophobicContact CE1-CD2 4.46Å; F153-Y194 HydrophobicContact CE1-CE1 4.47Å; F153-Y194 HydrophobicContact CE1-CE2 4.31Å; F153-R206 WeakPolarHBondContact CA-O 3.4Å; F153-R206 HydrophobicContact CD1-CB 3.74Å; F153-R206 HydrophobicContact CE1-CB 3.84Å; F153-R206 HydrophobicContact CE1-CG 4.13Å; F153-S234 PolarHBondContact O-OG 2.74Å
154	I	98.1	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.6	172.8	-60.6	171.7	0	0	0	107	L67 F145 V157 F199 W200 T205 R206 G207 V208 M236	L67-I154 HydrophobicContact CD2-CD1 4.06Å; L67-I154 HydrophobicContact CD2-CG1 4.3Å; F145-I154 HydrophobicContact CE1-CG1 4.38Å; F145-I154 HydrophobicContact CZ-CG1 4.5Å; I154-V157 HydrophobicContact CG2-CG2 4.02Å; I154-F199 HydrophobicContact CD1-CD1 3.9Å; I154-F199 HydrophobicContact CD1-CE1 3.83Å; I154-W200 HydrophobicContact CD1-CH2 4.32Å; I154-W200 HydrophobicContact CD1-CZ3 4.22Å; I154-T205 HydrophobicContact CD1-CG2 3.91Å; I154-T205 HydrophobicContact CG1-CG2 4.33Å; I154-R206 PolarHBondContact N-O 3.05Å; I154-G207 CarbonylContact O-C 3.5Å; I154-G207 VanDerWaalsContact O-CA 3.31Å; I154-G207 WeakPolarHBondContact O-CA 3.3Å; I154-V208 PolarHBondContact O-N 2.94Å; I154-M236 HydrophobicContact CD1-CB 4.39Å; I154-M236 HydrophobicContact CD1-SD 3.86Å; I154-M236 HydrophobicContact CG2-CB 3.72Å
155	E	97.6	Very high	95.5	Very high	71 Å²	71	43 Å²	43	33%	0.332	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-42.1	-173.5	-71.4	179.8	-162.2	0	0	112.1	V208 N209 S232 T233 S234	E155-V208 WeakPolarHBondContact O-CB 3.46Å; E155-N209 PolarHBondContact O-N 2.87Å; E155-S232 WeakPolarHBondContact OE2-CA 3.38Å; E155-S232 VanDerWaalsContact OE2-CB 3.26Å; E155-S232 WeakPolarHBondContact OE2-CB 3.39Å; E155-T233 WeakPolarHBondContact OE1-CB 3.3Å; E155-T233 PolarHBondContact OE1-OG1 3.47Å; E155-T233 PolarHBondContact OE2-N 2.55Å; E155-S234 PolarHBondContact N-O 2.89Å; E155-S234 PolarHBondContact N-OG 2.63Å
156	Q	97.9	Very high	95	Very high	18 Å²	18	44.4 Å²	44.4	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.2	-179	-177.5	63.9	61.5	0	0	111.6	L158 N209 T211 I230 S234 V235 M236	Q156-L158 HydrophobicContact CG-CD2 3.82Å; Q156-L158 HydrophobicContact CG-CG 4.17Å; Q156-N209 PolarHBondContact OE1-ND2 3.38Å; Q156-T211 PolarHBondContact NE2-OG1 3.22Å; Q156-T211 VanDerWaalsContact NE2-OG1 3.08Å; Q156-I230 HydrophobicContact CG-CD1 4.35Å; Q156-I230 HydrophobicContact CG-CG2 4.46Å; Q156-S234 PolarHBondContact N-O 3.19Å; Q156-S234 VanDerWaalsContact N-O 3.1Å; Q156-V235 HydrophobicContact CB-CG2 4.45Å; Q156-V235 CarbonylContact O-C 3.58Å; Q156-V235 VanDerWaalsContact O-CA 3.29Å; Q156-V235 WeakPolarHBondContact O-CA 3.49Å; Q156-M236 PolarHBondContact O-N 2.97Å
157	V	98.4	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.1	167.8	-174.4	0	0	0	0	108.6	I154 V159 Y187 F199 N209 V210 T211 M236 D238	I154-V157 HydrophobicContact CG2-CG2 4.02Å; V157-V159 HydrophobicContact CG1-CG2 4.41Å; V157-Y187 HydrophobicContact CG1-CE1 4.29Å; V157-Y187 HydrophobicContact CG1-CE2 4.28Å; V157-F199 HydrophobicContact CG2-CE1 4.23Å; V157-F199 HydrophobicContact CG2-CZ 4.38Å; V157-N209 PolarHBondContact N-O 3.32Å; V157-V210 HydrophobicContact CB-CB 4.44Å; V157-V210 HydrophobicContact CB-CG1 4.35Å; V157-V210 HydrophobicContact CB-CG2 3.99Å; V157-V210 HydrophobicContact CG1-CG1 4.47Å; V157-V210 HydrophobicContact CG2-CG2 4.19Å; V157-V210 WeakPolarHBondContact O-CA 3.48Å; V157-T211 PolarHBondContact O-N 2.82Å; V157-M236 CarbonylContact C-O 3.56Å; V157-M236 WeakPolarHBondContact CA-O 3.3Å; V157-M236 HydrophobicContact CG1-CB 4.43Å; V157-M236 HydrophobicContact CG1-CG 4.43Å; V157-M236 HydrophobicContact CG1-SD 4.36Å; V157-M236 HydrophobicContact CG2-CB 4.3Å; V157-M236 HydrophobicContact CG2-SD 4.44Å; V157-D238 HydrophobicContact CG1-CB 4.46Å
158	L	98.3	Very high	93.2	Very high	5 Å²	5	52 Å²	52	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.9	173.7	-56.1	177.6	0	0	0	108	Q156 L160 T211 L213 L225 L226 I230 V235 M236 L237 D238	Q156-L158 HydrophobicContact CG-CD2 3.82Å; Q156-L158 HydrophobicContact CG-CG 4.17Å; L158-L160 PolarHBondContact O-N 2.84Å; L158-T211 CarbonylContact C-O 3.55Å; L158-T211 WeakPolarHBondContact CA-O 3.49Å; L158-T211 VanDerWaalsContact CD2-OG1 3.31Å; L158-T211 WeakPolarHBondContact CD2-OG1 3.43Å; L158-L213 HydrophobicContact CD1-CD2 4.34Å; L158-L225 HydrophobicContact CD1-CD2 4.31Å; L158-L226 HydrophobicContact CD1-CD2 3.88Å; L158-I230 HydrophobicContact CD1-CD1 3.5Å; L158-I230 HydrophobicContact CD2-CD1 4.03Å; L158-I230 HydrophobicContact CG-CD1 4.23Å; L158-V235 HydrophobicContact CD1-CG1 3.92Å; L158-V235 HydrophobicContact CG-CG1 4.17Å; L158-M236 PolarHBondContact N-O 3.45Å; L158-L237 HydrophobicContact CB-CD2 3.98Å; L158-L237 HydrophobicContact CD1-CD2 3.8Å; L158-L237 HydrophobicContact CG-CD2 4.36Å; L158-D238 PolarHBondContact O-N 2.84Å
159	V	98.1	Very high	91.5	Very high	12 Å²	12	55.2 Å²	55.2	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	107.7	175.2	-175.8	0	0	0	0	108.2	V157 L185 Y187 V210 T211 C212 L213 D238 K239	V157-V159 HydrophobicContact CG1-CG2 4.41Å; V159-L185 HydrophobicContact CB-CD2 4.44Å; V159-L185 HydrophobicContact CG2-CD2 3.87Å; V159-Y187 HydrophobicContact CG2-CD2 4.17Å; V159-Y187 HydrophobicContact CG2-CE2 3.77Å; V159-V210 HydrophobicContact CG2-CG1 4.03Å; V159-T211 PolarHBondContact N-O 3.38Å; V159-C212 WeakPolarHBondContact O-CA 3.23Å; V159-L213 PolarHBondContact O-N 3.22Å; V159-D238 HydrophobicContact CG2-CB 4.34Å; V159-K239 HydrophobicContact CG1-CD 4.47Å
160	L	98.1	Very high	90.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.1	177.7	-57.1	-172.6	0	0	0	110.2	L158 L213 L222 D238 K239 T242 V243	L158-L160 PolarHBondContact O-N 2.84Å; L160-L213 CarbonylContact C-O 3.41Å; L160-L213 WeakPolarHBondContact CA-O 3.22Å; L160-L213 HydrophobicContact CD2-CB 4Å; L160-L213 HydrophobicContact CD2-CD2 3.8Å; L160-L213 HydrophobicContact CD2-CG 4.37Å; L160-L222 HydrophobicContact CD1-CD1 4.21Å; L160-L222 HydrophobicContact CD2-CD1 4.47Å; L160-L222 HydrophobicContact CD2-CD2 4.49Å; L160-D238 WeakPolarHBondContact CB-O 3.5Å; L160-D238 WeakPolarHBondContact CG-O 3.49Å; L160-D238 PolarHBondContact N-O 3.33Å; L160-K239 HydrophobicContact CB-CB 4.39Å; L160-K239 WeakPolarHBondContact O-CB 3.41Å; L160-K239 WeakPolarHBondContact O-CD 3.43Å; L160-T242 HydrophobicContact CB-CG2 4.33Å; L160-V243 HydrophobicContact CD1-CG1 4.16Å
161	Q	96.9	Very high	89.4	Confident	19 Å²	19	61.5 Å²	61.5	9%	0.089	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.5	178.1	61.3	180	26.8	0	0	110.4	P180 L213 S214 A215	Q161-P180 PolarHBondContact NE2-O 3.19Å; Q161-L213 PolarHBondContact N-O 2.79Å; Q161-S214 PolarHBondContact NE2-OG 3.14Å; Q161-S214 VanDerWaalsContact NE2-OG 3.08Å; Q161-S214 CarbonylContact O-C 3.59Å; Q161-S214 VanDerWaalsContact O-CA 3.25Å; Q161-S214 WeakPolarHBondContact O-CA 3.46Å; Q161-A215 PolarHBondContact O-N 3.36Å
162	N	95.3	Very high	88.9	Confident	109 Å²	109	66.3 Å²	66.3	58%	0.583	36%	0.356	S	S	*	.			trans	-70.9	163	169	-66	-43.1	0	0	0	110.8	S214	N162-S214 PolarHBondContact O-OG 2.82Å
163	Y	94.2	Very high	88.7	Confident	10 Å²	10	70 Å²	70	4%	0.039	37%	0.371	C	S	.	.			trans	-68.1	130.9	166	-76	-95.6	0	0	0	109.4	E165 G166 K175 V176 D177 S214 Q216	Y163-E165 PolarHBondContact O-N 2.97Å; Y163-G166 PolarHBondContact O-N 3.38Å; Y163-K175 HydrophobicContact CE1-CD 3.92Å; Y163-K175 HydrophobicContact CE1-CG 4.47Å; Y163-K175 HydrophobicContact CE2-CD 3.89Å; Y163-K175 HydrophobicContact CE2-CG 3.66Å; Y163-K175 WeakPolarHBondContact OH-CD 3.34Å; Y163-K175 VanDerWaalsContact OH-CG 3.28Å; Y163-K175 WeakPolarHBondContact OH-CG 3.43Å; Y163-V176 PolarHBondContact OH-N 3.46Å; Y163-D177 HydrophobicContact CE1-CB 4.22Å; Y163-D177 VanDerWaalsContact CE1-OD2 3.28Å; Y163-D177 WeakPolarHBondContact CE1-OD2 3.48Å; Y163-D177 PolarHBondContact OH-N 2.93Å; Y163-D177 PolarHBondContact OH-OD2 3.49Å; Y163-S214 PolarHBondContact OH-O 3.26Å; Y163-Q216 HydrophobicContact CD2-CB 4.05Å; Y163-Q216 HydrophobicContact CE2-CB 3.96Å
164	A	92.9	Very high	88.5	Confident	80 Å²	80	70 Å²	70	66%	0.661	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-33.3	-176.7	0	0	0	0	0	111.9	G166 V182	A164-G166 PolarHBondContact O-N 2.94Å; A164-V182 HydrophobicContact CB-CG2 4.1Å
165	E	90.6	Very high	88.3	Confident	102 Å²	102	72.2 Å²	72.2	48%	0.477	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.6	175.8	58	-93.2	-132.5	0	0	113.9	Y163 R179	Y163-E165 PolarHBondContact O-N 2.97Å; E165-R179 IonicContact OE1-CZ 3.74Å; E165-R179 IonicContact OE1-NH1 2.8Å; E165-R179 PolarHBondContact OE1-NH1 2.77Å; E165-R179 IonicContact OE1-NH2 2.67Å; E165-R179 PolarHBondContact OE1-NH2 3.1Å; E165-R179 IonicContact OE2-NH1 3.85Å
166	G	87.5	Confident	88.2	Confident	30 Å²	30	70.2 Å²	70.2	31%	0.309	38%	0.375	S	S	.	.			trans	63.8	-154.2	-171.9	0	0	0	0	0	112.5	Y163 A164	Y163-G166 PolarHBondContact O-N 3.38Å; A164-G166 PolarHBondContact O-N 2.94Å
167	W	82	Confident	88.1	Confident	168 Å²	168	72.4 Å²	72.4	64%	0.636	39%	0.387	S	S	*	.			trans	-126.3	145.7	171.2	64.1	86.3	0	0	0	109.7
168	T	71.9	Confident	88	Confident	112 Å²	112	79.1 Å²	79.1	69%	0.687	42%	0.419	S	S	*	.			trans	-107.1	146	-178.4	52.8	0	0	0	0	111.9	G170 K171	T168-G170 PolarHBondContact O-N 3.02Å; T168-K171 PolarHBondContact O-N 2.86Å
169	D	58.3	Low	87.9	Confident	174 Å²	174	83.3 Å²	83.3	93%	0.93	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	14.1	67.4	168.4	-61.2	-17.9	0	0	0	117.7
170	G	64.9	Low	87.8	Confident	78 Å²	78	88.1 Å²	88.1	80%	0.804	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	4.3	159.9	0	0	0	0	0	117.2	T168	T168-G170 PolarHBondContact O-N 3.02Å
171	K	72.6	Confident	87.7	Confident	176 Å²	176	90.3 Å²	90.3	77%	0.765	48%	0.48	S	S	*	.			trans	-108	89.3	169.6	-71.8	-173.6	-178.9	-179.6	0	110.8	T168	T168-K171 PolarHBondContact O-N 2.86Å
172	W	81.3	Confident	87.5	Confident	112 Å²	112	93.6 Å²	93.6	42%	0.424	50%	0.501	S	S	.	.			trans	-82.3	116.2	164.5	-170.8	94.1	0	0	0	108	E174 Q216 L244	W172-E174 HydrophobicContact CE3-CG 4.31Å; W172-E174 HydrophobicContact CH2-CG 3.68Å; W172-E174 HydrophobicContact CZ3-CG 3.4Å; W172-Q216 VanDerWaalsContact CG-NE2 3.35Å; W172-Q216 HydrophobicContact CZ2-CG 4.16Å; W172-L244 HydrophobicContact CH2-CD1 4.31Å; W172-L244 HydrophobicContact CZ2-CD1 3.83Å
173	E	89.8	Confident	87.3	Confident	104 Å²	104	94.5 Å²	94.5	49%	0.486	50%	0.502	S	S	.	.			trans	-118.6	141	-179.4	67.5	-176	175.5	0	0	110.2	K175 Q216	E173-K175 HydrophobicContact CG-CD 3.92Å; E173-K175 HydrophobicContact CG-CG 4.11Å; E173-K175 PolarHBondContact O-N 3.32Å; E173-K175 WeakPolarHBondContact OE1-CD 3.25Å; E173-K175 WeakPolarHBondContact OE1-CE 3.49Å; E173-K175 IonicContact OE1-NZ 3.41Å; E173-K175 PolarHBondContact OE1-NZ 2.85Å; E173-Q216 WeakPolarHBondContact O-CG 3.28Å; E173-Q216 PolarHBondContact O-NE2 3.45Å
174	E	93	Very high	87.1	Confident	89 Å²	89	105.1 Å²	105.1	42%	0.416	54%	0.542	S	S	.	.			trans	-80.2	120	174.2	-63.5	-166.6	-143.4	0	0	109.9	W172 Q216 H218 I221	W172-E174 HydrophobicContact CE3-CG 4.31Å; W172-E174 HydrophobicContact CH2-CG 3.68Å; W172-E174 HydrophobicContact CZ3-CG 3.4Å; E174-Q216 CarbonylContact C-O 3.51Å; E174-Q216 VanDerWaalsContact CA-O 3.23Å; E174-Q216 WeakPolarHBondContact CA-O 3.12Å; E174-H218 IonicContact OE1-CE1 3.44Å; E174-H218 PolarHBondContact OE1-CE1 3.45Å; E174-H218 IonicContact OE1-ND1 3.99Å; E174-H218 PolarHBondContact OE1-ND1 3.43Å; E174-H218 PolarHBondContact OE2-N 2.99Å; E174-H218 IonicContact OE2-ND1 3.86Å; E174-H218 PolarHBondContact OE2-ND1 2.98Å; E174-I221 HydrophobicContact CB-CD1 3.98Å; E174-I221 HydrophobicContact CB-CG1 4.27Å
175	K	94.1	Very high	87.1	Confident	47 Å²	47	103.8 Å²	103.8	20%	0.204	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	154.4	-178.9	54.3	172.9	177.8	-162.3	0	112	Y163 E173 Q216	Y163-K175 HydrophobicContact CE1-CD 3.92Å; Y163-K175 HydrophobicContact CE1-CG 4.47Å; Y163-K175 HydrophobicContact CE2-CD 3.89Å; Y163-K175 HydrophobicContact CE2-CG 3.66Å; Y163-K175 WeakPolarHBondContact OH-CD 3.34Å; Y163-K175 VanDerWaalsContact OH-CG 3.28Å; Y163-K175 WeakPolarHBondContact OH-CG 3.43Å; E173-K175 HydrophobicContact CG-CD 3.92Å; E173-K175 HydrophobicContact CG-CG 4.11Å; E173-K175 PolarHBondContact O-N 3.32Å; E173-K175 WeakPolarHBondContact OE1-CD 3.25Å; E173-K175 WeakPolarHBondContact OE1-CE 3.49Å; E173-K175 IonicContact OE1-NZ 3.41Å; E173-K175 PolarHBondContact OE1-NZ 2.85Å; K175-Q216 HydrophobicContact CG-CB 4.36Å; K175-Q216 PolarHBondContact N-O 3.35Å; K175-Q216 PolarHBondContact O-N 2.83Å; K175-Q216 VanDerWaalsContact O-O 3.08Å
176	V	96.3	Very high	87.2	Confident	30 Å²	30	105.5 Å²	105.5	18%	0.182	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	123.9	178.5	62	0	0	0	0	109.2	Y163 L213 S214 A215 I221 L222 L225	Y163-V176 PolarHBondContact OH-N 3.46Å; V176-L213 HydrophobicContact CG2-CD1 3.82Å; V176-L213 HydrophobicContact CG2-CD2 3.43Å; V176-L213 VanDerWaalsContact CG2-CD2 3.43Å; V176-L213 HydrophobicContact CG2-CG 3.55Å; V176-S214 WeakPolarHBondContact CA-O 3.5Å; V176-A215 HydrophobicContact CG2-CB 4.42Å; V176-I221 HydrophobicContact CG1-CG1 4.33Å; V176-L222 HydrophobicContact CB-CD2 4.38Å; V176-L222 HydrophobicContact CG2-CD2 3.65Å; V176-L225 HydrophobicContact CG1-CD1 4.42Å; V176-L225 HydrophobicContact CG2-CD1 4.07Å
177	D	95.6	Very high	87.5	Confident	64 Å²	64	105 Å²	105	34%	0.342	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.2	-177.3	-66.8	-71.4	0	0	0	111.2	Y163 R179 S214	Y163-D177 HydrophobicContact CE1-CB 4.22Å; Y163-D177 VanDerWaalsContact CE1-OD2 3.28Å; Y163-D177 WeakPolarHBondContact CE1-OD2 3.48Å; Y163-D177 PolarHBondContact OH-N 2.93Å; Y163-D177 PolarHBondContact OH-OD2 3.49Å; D177-R179 HydrophobicContact CB-CG 4.08Å; D177-R179 PolarHBondContact O-N 3.34Å; D177-S214 PolarHBondContact N-O 3.38Å; D177-S214 PolarHBondContact O-N 2.73Å
178	Q	95.7	Very high	88.2	Confident	140 Å²	140	100.6 Å²	100.6	65%	0.654	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	118.8	166	-171.9	176.6	-3	0	0	108.7	L213	Q178-L213 HydrophobicContact CB-CD1 4.41Å
179	R	96.3	Very high	89.4	Confident	94 Å²	94	101.6 Å²	101.6	36%	0.355	51%	0.514	S	S	.	.			trans	-132.1	160.1	-176.3	-70.3	-64.9	-168.7	105.6	7.9	110.2	E165 D177 C212	E165-R179 IonicContact OE1-CZ 3.74Å; E165-R179 IonicContact OE1-NH1 2.8Å; E165-R179 PolarHBondContact OE1-NH1 2.77Å; E165-R179 IonicContact OE1-NH2 2.67Å; E165-R179 PolarHBondContact OE1-NH2 3.1Å; E165-R179 IonicContact OE2-NH1 3.85Å; D177-R179 HydrophobicContact CB-CG 4.08Å; D177-R179 PolarHBondContact O-N 3.34Å; R179-C212 PolarHBondContact N-O 3.48Å
180	P	96.4	Very high	91.1	Very high	112 Å²	112	94.7 Å²	94.7	73%	0.727	48%	0.477	S	S	*	.			trans	-55.3	144.7	167.1	-22.7	33.9	0	0	0	110.8	Q161 V182	Q161-P180 PolarHBondContact NE2-O 3.19Å; P180-V182 PolarHBondContact O-N 2.87Å
181	C	95.9	Very high	92.5	Very high	47 Å²	47	100.8 Å²	100.8	32%	0.318	48%	0.481	S	S	.	.			trans	-63.4	123.1	175.6	-59.9	0	0	0	0	110.3	L185 C212	C181-L185 HydrophobicContact CB-CD2 4.42Å; C181-L185 HydrophobicContact CB-CG 4.25Å; C181-C212 WeakPolarHBondContact CA-SG 3.44Å; C181-C212 HydrophobicContact CB-CB 3.89Å; C181-C212 WeakPolarHBondContact CB-SG 3.2Å; C181-C212 WeakPolarHBondContact SG-CB 3.15Å; C181-C212 CovalentContact SG-SG 2.03Å; C181-C212 PolarHBondContact SG-SG 2.87Å
182	V	93.3	Very high	93.6	Very high	87 Å²	87	99 Å²	99	53%	0.527	48%	0.476	S	S	.	.	S	Bend	trans	-70.5	-48.7	-179.7	175.2	0	0	0	0	109.8	A164 P180	A164-V182 HydrophobicContact CB-CG2 4.1Å; P180-V182 PolarHBondContact O-N 2.87Å
183	E	90.3	Very high	94.3	Very high	128 Å²	128	95.4 Å²	95.4	60%	0.598	47%	0.474	S	S	*	.	S	Bend	trans	-95.6	160.8	176.5	-67.4	179.1	170.1	0	0	110.9	L185 K239	E183-L185 PolarHBondContact O-N 3.44Å; E183-K239 IonicContact OE2-NZ 3.77Å; E183-K239 PolarHBondContact OE2-NZ 3.37Å
184	R	91	Very high	94.6	Very high	234 Å²	234	94.9 Å²	94.9	88%	0.883	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-61.2	124.2	171.7	-178.9	179.2	176.6	178.4	-0	109.4	L186	R184-L186 PolarHBondContact O-N 3.01Å
185	L	92.2	Very high	94.9	Very high	52 Å²	52	92.3 Å²	92.3	27%	0.272	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-55.6	131.5	173.3	-74.5	174.2	0	0	0	111	V159 C181 E183 Y187 V210	V159-L185 HydrophobicContact CB-CD2 4.44Å; V159-L185 HydrophobicContact CG2-CD2 3.87Å; C181-L185 HydrophobicContact CB-CD2 4.42Å; C181-L185 HydrophobicContact CB-CG 4.25Å; E183-L185 PolarHBondContact O-N 3.44Å; L185-Y187 HydrophobicContact CD2-CD2 4.44Å; L185-Y187 PolarHBondContact O-N 3.43Å; L185-V210 HydrophobicContact CD1-CG1 4.32Å; L185-V210 HydrophobicContact CD2-CG1 4.11Å
186	L	91.9	Very high	95	Very high	137 Å²	137	94.7 Å²	94.7	72%	0.717	46%	0.462	S	S	*	.	S	Bend	trans	-76.8	-6.9	170.7	-61	178.8	0	0	0	112.3	R184	R184-L186 PolarHBondContact O-N 3.01Å
187	Y	95.6	Very high	95	Very high	20 Å²	20	94.6 Å²	94.6	8%	0.078	47%	0.467	C	S	.	.			trans	-90.4	139.4	175.6	-58.9	-90.4	0	0	0	110.8	V157 V159 L185 R196 F199 V210 D238	V157-Y187 HydrophobicContact CG1-CE1 4.29Å; V157-Y187 HydrophobicContact CG1-CE2 4.28Å; V159-Y187 HydrophobicContact CG2-CD2 4.17Å; V159-Y187 HydrophobicContact CG2-CE2 3.77Å; L185-Y187 HydrophobicContact CD2-CD2 4.44Å; L185-Y187 PolarHBondContact O-N 3.43Å; Y187-R196 CarbonylContact C-O 3.52Å; Y187-R196 VanDerWaalsContact CA-O 3.28Å; Y187-R196 WeakPolarHBondContact CA-O 3.34Å; Y187-F199 HydrophobicContact CD1-CE2 4.41Å; Y187-F199 AromaticContact CD1-CZ 3.96Å; Y187-F199 HydrophobicContact CD1-CZ 3.96Å; Y187-F199 AromaticContact CE1-CE1 3.78Å; Y187-F199 HydrophobicContact CE1-CE1 3.78Å; Y187-F199 HydrophobicContact CE1-CE2 4.3Å; Y187-F199 AromaticContact CE1-CZ 3.64Å; Y187-F199 HydrophobicContact CE1-CZ 3.64Å; Y187-V210 HydrophobicContact CD1-CG2 4.38Å; Y187-V210 HydrophobicContact CD2-CG1 3.93Å; Y187-V210 HydrophobicContact CG-CG1 4.14Å; Y187-V210 HydrophobicContact CG-CG2 4.2Å; Y187-D238 VanDerWaalsContact CE2-OD2 3.23Å; Y187-D238 WeakPolarHBondContact CE2-OD2 3.49Å; Y187-D238 VanDerWaalsContact OH-CG 3.26Å; Y187-D238 PolarHBondContact OH-OD2 3.12Å
188	S	95.8	Very high	94.9	Very high	75 Å²	75	96 Å²	96	52%	0.524	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.9	178.8	60.9	0	0	0	0	111.2	Y195 R196	S188-Y195 CarbonylContact O-C 3.51Å; S188-Y195 WeakPolarHBondContact O-CA 3.47Å; S188-R196 PolarHBondContact N-O 2.67Å; S188-R196 PolarHBondContact O-N 2.89Å
189	K	96.4	Very high	95	Very high	134 Å²	134	89.4 Å²	89.4	58%	0.583	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	137.1	179.7	-69.2	-171.3	176.7	-172.1	0	111.4	Y194 Y195	K189-Y194 CarbonylContact C-O 3.48Å; K189-Y194 VanDerWaalsContact CA-O 3.31Å; K189-Y194 WeakPolarHBondContact CA-O 2.96Å; K189-Y195 VanDerWaalsContact CE-CE2 3.48Å; K189-Y195 WeakPolarHBondContact CE-OH 3.27Å; K189-Y195 HydrophobicContact CG-CD1 4.02Å; K189-Y195 HydrophobicContact CG-CD2 4.47Å; K189-Y195 HydrophobicContact CG-CE1 3.87Å; K189-Y195 HydrophobicContact CG-CE2 4.31Å; K189-Y195 HydrophobicContact CG-CG 4.35Å
190	D	95.1	Very high	95	Very high	29 Å²	29	85.2 Å²	85.2	16%	0.155	42%	0.421	C	S	.	.			trans	-82.2	-178.2	168.1	69.5	19	0	0	0	112.1	Q192 G193 Y194 R196 R206	D190-Q192 PolarHBondContact O-N 3.15Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.48Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.38Å; D190-Q192 PolarHBondContact OD1-N 3.48Å; D190-Q192 PolarHBondContact OD1-OE1 3.45Å; D190-G193 PolarHBondContact O-N 2.98Å; D190-G193 PolarHBondContact OD1-N 3.5Å; D190-Y194 PolarHBondContact N-O 3.44Å; D190-Y194 PolarHBondContact OD1-N 2.01Å; D190-R196 HydrophobicContact CB-CG 4.06Å; D190-R206 WeakPolarHBondContact OD2-CD 3.5Å; D190-R206 IonicContact OD2-NE 2.97Å; D190-R206 PolarHBondContact OD2-NE 2.63Å
191	K	95	Very high	94.9	Very high	205 Å²	205	80.5 Å²	80.5	89%	0.891	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.8	-179	-66	-177.5	179.8	178.8	0	112.8	G193	K191-G193 VanDerWaalsContact C-N 3.35Å
192	Q	94.6	Very high	94.9	Very high	139 Å²	139	78.8 Å²	78.8	65%	0.65	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.9	178.5	-65.8	75	24.7	0	0	111.9	D190 Y194	D190-Q192 PolarHBondContact O-N 3.15Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.48Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.38Å; D190-Q192 PolarHBondContact OD1-N 3.48Å; D190-Q192 PolarHBondContact OD1-OE1 3.45Å; Q192-Y194 HydrophobicContact CB-CD2 3.77Å; Q192-Y194 HydrophobicContact CB-CE2 4.06Å
193	G	95.5	Very high	94.9	Very high	37 Å²	37	81.8 Å²	81.8	38%	0.381	39%	0.388	S	S	.	.	S	Bend	trans	89.5	0.5	178.7	0	0	0	0	0	114.3	D190 K191	D190-G193 PolarHBondContact O-N 2.98Å; D190-G193 PolarHBondContact OD1-N 3.5Å; K191-G193 VanDerWaalsContact C-N 3.35Å
194	Y	97.5	Very high	95.2	Very high	93 Å²	93	79.9 Å²	79.9	37%	0.365	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-82.4	149.2	176.2	-63	-64.5	0	0	0	111.3	F153 K189 D190 Q192 R206 V208	F153-Y194 HydrophobicContact CE1-CD2 4.46Å; F153-Y194 HydrophobicContact CE1-CE1 4.47Å; F153-Y194 HydrophobicContact CE1-CE2 4.31Å; K189-Y194 CarbonylContact C-O 3.48Å; K189-Y194 VanDerWaalsContact CA-O 3.31Å; K189-Y194 WeakPolarHBondContact CA-O 2.96Å; D190-Y194 PolarHBondContact N-O 3.44Å; D190-Y194 PolarHBondContact OD1-N 2.01Å; Q192-Y194 HydrophobicContact CB-CD2 3.77Å; Q192-Y194 HydrophobicContact CB-CE2 4.06Å; Y194-R206 HydrophobicContact CG-CB 4.43Å; Y194-V208 HydrophobicContact CD1-CG2 4.35Å; Y194-V208 HydrophobicContact CE1-CG2 4.28Å
195	Y	98	Very high	95.5	Very high	35 Å²	35	68.8 Å²	68.8	14%	0.137	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.3	177.3	-69.8	-93.7	0	0	0	111.3	S188 K189 R206 G207 V210	S188-Y195 CarbonylContact O-C 3.51Å; S188-Y195 WeakPolarHBondContact O-CA 3.47Å; K189-Y195 VanDerWaalsContact CE-CE2 3.48Å; K189-Y195 WeakPolarHBondContact CE-OH 3.27Å; K189-Y195 HydrophobicContact CG-CD1 4.02Å; K189-Y195 HydrophobicContact CG-CD2 4.47Å; K189-Y195 HydrophobicContact CG-CE1 3.87Å; K189-Y195 HydrophobicContact CG-CE2 4.31Å; K189-Y195 HydrophobicContact CG-CG 4.35Å; Y195-R206 WeakPolarHBondContact O-CA 3.46Å; Y195-G207 WeakPolarHBondContact CB-O 3.35Å; Y195-G207 PolarHBondContact N-O 3.06Å; Y195-G207 PolarHBondContact O-N 2.74Å; Y195-V210 HydrophobicContact CD1-CB 4.04Å; Y195-V210 HydrophobicContact CD1-CG2 3.58Å; Y195-V210 HydrophobicContact CD2-CB 4.23Å; Y195-V210 HydrophobicContact CD2-CG2 3.59Å; Y195-V210 HydrophobicContact CE1-CB 4.01Å; Y195-V210 HydrophobicContact CE1-CG2 4.07Å; Y195-V210 HydrophobicContact CE2-CB 4.23Å; Y195-V210 HydrophobicContact CE2-CG2 4.09Å; Y195-V210 HydrophobicContact CG-CB 4.12Å; Y195-V210 HydrophobicContact CG-CG2 3.29Å
196	R	97.5	Very high	95.8	Very high	96 Å²	96	68 Å²	68	36%	0.362	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.5	165.4	-63	-176	67.2	123.7	3	109.3	Y187 S188 D190 E203	Y187-R196 CarbonylContact C-O 3.52Å; Y187-R196 VanDerWaalsContact CA-O 3.28Å; Y187-R196 WeakPolarHBondContact CA-O 3.34Å; S188-R196 PolarHBondContact N-O 2.67Å; S188-R196 PolarHBondContact O-N 2.89Å; D190-R196 HydrophobicContact CB-CG 4.06Å; R196-E203 PolarHBondContact NH2-O 2.95Å
197	G	95.1	Very high	96.1	Very high	28 Å²	28	61.5 Å²	61.5	29%	0.289	30%	0.296	S	S	.	.			trans	-154.1	-166.5	178.1	0	0	0	0	0	110.4
198	W	94.5	Very high	96.2	Very high	95 Å²	95	63.8 Å²	63.8	36%	0.36	31%	0.312	S	S	.	.			trans	-65.6	-48.4	177.3	167.8	-120.4	0	0	0	112.4	R108 W200 G201	R108-W198 HydrophobicContact CB-CZ2 4.37Å; R108-W198 VanDerWaalsContact CD-CZ2 3.41Å; R108-W198 HydrophobicContact CG-CH2 3.81Å; R108-W198 HydrophobicContact CG-CZ2 3.9Å; W198-W200 VanDerWaalsContact C-N 3.25Å; W198-W200 PolarHBondContact O-N 3.1Å; W198-W200 VanDerWaalsContact O-N 3.13Å; W198-G201 VanDerWaalsContact CH2-CA 3.42Å; W198-G201 PolarHBondContact O-N 3.3Å
199	F	96.6	Very high	96.2	Very high	1 Å²	1	63.3 Å²	63.3	0%	0.004	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	40.2	51.3	177.8	-61.6	-56.6	0	0	0	113.6	I154 V157 Y187 G201 Y202 T205 M236	I154-F199 HydrophobicContact CD1-CD1 3.9Å; I154-F199 HydrophobicContact CD1-CE1 3.83Å; V157-F199 HydrophobicContact CG2-CE1 4.23Å; V157-F199 HydrophobicContact CG2-CZ 4.38Å; Y187-F199 HydrophobicContact CD1-CE2 4.41Å; Y187-F199 AromaticContact CD1-CZ 3.96Å; Y187-F199 HydrophobicContact CD1-CZ 3.96Å; Y187-F199 AromaticContact CE1-CE1 3.78Å; Y187-F199 HydrophobicContact CE1-CE1 3.78Å; Y187-F199 HydrophobicContact CE1-CE2 4.3Å; Y187-F199 AromaticContact CE1-CZ 3.64Å; Y187-F199 HydrophobicContact CE1-CZ 3.64Å; F199-G201 PolarHBondContact O-N 3.05Å; F199-Y202 PolarHBondContact O-N 2.93Å; F199-T205 HydrophobicContact CB-CG2 3.68Å; F199-T205 HydrophobicContact CD1-CG2 3.8Å; F199-T205 HydrophobicContact CD2-CG2 3.71Å; F199-T205 WeakPolarHBondContact CD2-O 3.47Å; F199-T205 HydrophobicContact CE1-CG2 4.33Å; F199-T205 HydrophobicContact CE2-CG2 4.24Å; F199-T205 HydrophobicContact CG-CG2 3.47Å; F199-T205 VanDerWaalsContact CG-CG2 3.47Å; F199-M236 HydrophobicContact CD1-CE 4.31Å; F199-M236 HydrophobicContact CD1-SD 3.81Å; F199-M236 HydrophobicContact CE1-CE 4.49Å; F199-M236 HydrophobicContact CE1-SD 3.65Å
200	W	95.9	Very high	96.3	Very high	6 Å²	6	57.3 Å²	57.3	2%	0.023	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	55.4	21	177.8	-43.8	-78.2	0	0	0	115.6	L67 Y68 D69 P104 P105 R121 Y142 I154 W198 Y202 M236	L67-W200 HydrophobicContact CB-CH2 3.97Å; L67-W200 HydrophobicContact CD2-CH2 3.88Å; L67-W200 HydrophobicContact CD2-CZ3 4.16Å; Y68-W200 VanDerWaalsContact O-CZ2 3.26Å; Y68-W200 WeakPolarHBondContact O-CZ2 3.48Å; D69-W200 HydrophobicContact CB-CZ2 4.21Å; P104-W200 HydrophobicContact CB-CD2 4.49Å; P104-W200 HydrophobicContact CB-CZ2 4.19Å; P105-W200 HydrophobicContact CB-CB 4.11Å; P105-W200 HydrophobicContact CG-CB 4.15Å; P105-W200 HydrophobicContact CG-CG 4.48Å; R121-W200 WeakPolarHBondContact CG-O 3.29Å; Y142-W200 HydrophobicContact CD1-CE3 4.45Å; Y142-W200 HydrophobicContact CD2-CE3 4.11Å; Y142-W200 AromaticContact CD2-CZ3 3.82Å; Y142-W200 HydrophobicContact CD2-CZ3 3.82Å; Y142-W200 HydrophobicContact CE1-CE3 4.23Å; Y142-W200 AromaticContact CE2-CE3 3.93Å; Y142-W200 HydrophobicContact CE2-CE3 3.93Å; Y142-W200 HydrophobicContact CE2-CH2 4.44Å; Y142-W200 AromaticContact CE2-CZ3 3.45Å; Y142-W200 HydrophobicContact CE2-CZ3 3.45Å; Y142-W200 VanDerWaalsContact CE2-CZ3 3.45Å; Y142-W200 HydrophobicContact CG-CE3 4.39Å; Y142-W200 AromaticContact CZ-CE3 3.99Å; Y142-W200 AromaticContact CZ-CZ3 3.85Å; I154-W200 HydrophobicContact CD1-CH2 4.32Å; I154-W200 HydrophobicContact CD1-CZ3 4.22Å; W198-W200 VanDerWaalsContact C-N 3.25Å; W198-W200 PolarHBondContact O-N 3.1Å; W198-W200 VanDerWaalsContact O-N 3.13Å; W200-Y202 HydrophobicContact CB-CD2 4.38Å; W200-M236 HydrophobicContact CH2-CE 3.89Å; W200-M236 HydrophobicContact CH2-CG 4.37Å; W200-M236 HydrophobicContact CH2-SD 3.79Å; W200-M236 HydrophobicContact CZ2-CE 3.66Å; W200-M236 HydrophobicContact CZ2-SD 4.16Å
201	G	94.4	Very high	96.4	Very high	12 Å²	12	57.2 Å²	57.2	12%	0.124	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	90.8	9.2	-179.2	0	0	0	0	0	114.8	W198 F199 E203	W198-G201 VanDerWaalsContact CH2-CA 3.42Å; W198-G201 PolarHBondContact O-N 3.3Å; F199-G201 PolarHBondContact O-N 3.05Å; G201-E203 PolarHBondContact O-N 3.21Å
202	Y	96.1	Very high	96.5	Very high	11 Å²	11	47.7 Å²	47.7	4%	0.043	24%	0.238	C	C	.	.			trans	-91.5	95.2	173.8	-70.7	-100.2	0	0	0	110.4	P105 R121 Y142 E143 I146 F199 W200 E204 T205	P105-Y202 HydrophobicContact CB-CE2 4.22Å; P105-Y202 HydrophobicContact CG-CE2 3.83Å; R121-Y202 HydrophobicContact CB-CE2 3.76Å; R121-Y202 HydrophobicContact CG-CD2 3.79Å; R121-Y202 HydrophobicContact CG-CE2 3.38Å; Y142-Y202 HydrophobicContact CD1-CD1 4.35Å; Y142-Y202 AromaticContact CD1-CD2 3.78Å; Y142-Y202 HydrophobicContact CD1-CD2 3.78Å; Y142-Y202 HydrophobicContact CD1-CE1 4.15Å; Y142-Y202 AromaticContact CD1-CE2 3.57Å; Y142-Y202 HydrophobicContact CD1-CE2 3.57Å; Y142-Y202 HydrophobicContact CD1-CG 4.17Å; Y142-Y202 AromaticContact CD1-CZ 3.75Å; Y142-Y202 AromaticContact CE1-CD1 3.93Å; Y142-Y202 HydrophobicContact CE1-CD1 3.93Å; Y142-Y202 AromaticContact CE1-CD2 3.57Å; Y142-Y202 HydrophobicContact CE1-CD2 3.57Å; Y142-Y202 HydrophobicContact CE1-CE1 4.18Å; Y142-Y202 AromaticContact CE1-CE2 3.87Å; Y142-Y202 HydrophobicContact CE1-CE2 3.87Å; Y142-Y202 AromaticContact CE1-CG 3.6Å; Y142-Y202 HydrophobicContact CE1-CG 3.6Å; E143-Y202 HydrophobicContact CG-CE1 4.34Å; E143-Y202 WeakPolarHBondContact CG-OH 3.28Å; E143-Y202 PolarHBondContact OE1-OH 2.96Å; I146-Y202 HydrophobicContact CD1-CD1 4.4Å; F199-Y202 PolarHBondContact O-N 2.93Å; W200-Y202 HydrophobicContact CB-CD2 4.38Å; Y202-E204 WeakPolarHBondContact CA-OE2 3.43Å; Y202-E204 PolarHBondContact O-N 3.26Å; Y202-E204 VanDerWaalsContact O-N 3.16Å; Y202-T205 WeakPolarHBondContact CB-OG1 3.16Å; Y202-T205 WeakPolarHBondContact O-CB 3.5Å; Y202-T205 PolarHBondContact O-N 2.8Å; Y202-T205 PolarHBondContact O-OG1 2.85Å
203	E	94.7	Very high	96.6	Very high	150 Å²	150	41.3 Å²	41.3	70%	0.701	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.5	-178.3	-63.6	-170.4	-179.5	0	0	114.3	R196 G201 R206	R196-E203 PolarHBondContact NH2-O 2.95Å; G201-E203 PolarHBondContact O-N 3.21Å; E203-R206 PolarHBondContact O-NH1 3.48Å; E203-R206 PolarHBondContact O-NH2 2.86Å
204	E	95.8	Very high	96.7	Very high	89 Å²	89	39.6 Å²	39.6	42%	0.416	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.8	175.7	62.3	-91.2	-129.6	0	0	112.8	P152 Y202 R206	P152-E204 HydrophobicContact CB-CG 4.08Å; P152-E204 HydrophobicContact CG-CB 4.24Å; P152-E204 HydrophobicContact CG-CG 4.04Å; Y202-E204 WeakPolarHBondContact CA-OE2 3.43Å; Y202-E204 PolarHBondContact O-N 3.26Å; Y202-E204 VanDerWaalsContact O-N 3.16Å; E204-R206 VanDerWaalsContact C-NH1 3.31Å; E204-R206 PolarHBondContact O-NH1 3.02Å
205	T	97.8	Very high	96.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	17%	0.174	C	C	.	.			trans	-68.6	136.4	-174.7	-51.3	0	0	0	0	112.3	Y142 P152 I154 F199 Y202	Y142-T205 WeakPolarHBondContact OH-CB 3.25Å; Y142-T205 WeakPolarHBondContact OH-CG2 3.39Å; Y142-T205 PolarHBondContact OH-OG1 3.42Å; P152-T205 CarbonylContact O-C 3.53Å; P152-T205 WeakPolarHBondContact O-CA 3.3Å; I154-T205 HydrophobicContact CD1-CG2 3.91Å; I154-T205 HydrophobicContact CG1-CG2 4.33Å; F199-T205 HydrophobicContact CB-CG2 3.68Å; F199-T205 HydrophobicContact CD1-CG2 3.8Å; F199-T205 HydrophobicContact CD2-CG2 3.71Å; F199-T205 WeakPolarHBondContact CD2-O 3.47Å; F199-T205 HydrophobicContact CE1-CG2 4.33Å; F199-T205 HydrophobicContact CE2-CG2 4.24Å; F199-T205 HydrophobicContact CG-CG2 3.47Å; F199-T205 VanDerWaalsContact CG-CG2 3.47Å; Y202-T205 WeakPolarHBondContact CB-OG1 3.16Å; Y202-T205 WeakPolarHBondContact O-CB 3.5Å; Y202-T205 PolarHBondContact O-N 2.8Å; Y202-T205 PolarHBondContact O-OG1 2.85Å
206	R	98	Very high	96.5	Very high	35 Å²	35	34.4 Å²	34.4	13%	0.132	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.3	-179.1	-66.2	-62.2	176.4	-80.1	-13.8	111.5	P152 F153 I154 D190 Y194 Y195 E203 E204	P152-R206 PolarHBondContact O-N 3.34Å; F153-R206 WeakPolarHBondContact CA-O 3.4Å; F153-R206 HydrophobicContact CD1-CB 3.74Å; F153-R206 HydrophobicContact CE1-CB 3.84Å; F153-R206 HydrophobicContact CE1-CG 4.13Å; I154-R206 PolarHBondContact N-O 3.05Å; D190-R206 WeakPolarHBondContact OD2-CD 3.5Å; D190-R206 IonicContact OD2-NE 2.97Å; D190-R206 PolarHBondContact OD2-NE 2.63Å; Y194-R206 HydrophobicContact CG-CB 4.43Å; Y195-R206 WeakPolarHBondContact O-CA 3.46Å; E203-R206 PolarHBondContact O-NH1 3.48Å; E203-R206 PolarHBondContact O-NH2 2.86Å; E204-R206 VanDerWaalsContact C-NH1 3.31Å; E204-R206 PolarHBondContact O-NH1 3.02Å
207	G	97.8	Very high	96.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.4	165.2	0	0	0	0	0	110.7	I154 Y195	I154-G207 CarbonylContact O-C 3.5Å; I154-G207 VanDerWaalsContact O-CA 3.31Å; I154-G207 WeakPolarHBondContact O-CA 3.3Å; Y195-G207 WeakPolarHBondContact CB-O 3.35Å; Y195-G207 PolarHBondContact N-O 3.06Å; Y195-G207 PolarHBondContact O-N 2.74Å
208	V	97.4	Very high	96.4	Very high	68 Å²	68	30.9 Å²	30.9	41%	0.412	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-48	175.4	-179.1	0	0	0	0	110.2	I154 E155 Y194	I154-V208 PolarHBondContact O-N 2.94Å; E155-V208 WeakPolarHBondContact O-CB 3.46Å; Y194-V208 HydrophobicContact CD1-CG2 4.35Å; Y194-V208 HydrophobicContact CE1-CG2 4.28Å
209	N	97.1	Very high	96.5	Very high	66 Å²	66	26.3 Å²	26.3	35%	0.353	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.9	175.4	-166.6	27.4	0	0	0	111.7	E155 Q156 V157	E155-N209 PolarHBondContact O-N 2.87Å; Q156-N209 PolarHBondContact OE1-ND2 3.38Å; V157-N209 PolarHBondContact N-O 3.32Å
210	V	97.6	Very high	96.5	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.6	177.6	-177.9	0	0	0	0	108.8	V157 V159 L185 Y187 Y195	V157-V210 HydrophobicContact CB-CB 4.44Å; V157-V210 HydrophobicContact CB-CG1 4.35Å; V157-V210 HydrophobicContact CB-CG2 3.99Å; V157-V210 HydrophobicContact CG1-CG1 4.47Å; V157-V210 HydrophobicContact CG2-CG2 4.19Å; V157-V210 WeakPolarHBondContact O-CA 3.48Å; V159-V210 HydrophobicContact CG2-CG1 4.03Å; L185-V210 HydrophobicContact CD1-CG1 4.32Å; L185-V210 HydrophobicContact CD2-CG1 4.11Å; Y187-V210 HydrophobicContact CD1-CG2 4.38Å; Y187-V210 HydrophobicContact CD2-CG1 3.93Å; Y187-V210 HydrophobicContact CG-CG1 4.14Å; Y187-V210 HydrophobicContact CG-CG2 4.2Å; Y195-V210 HydrophobicContact CD1-CB 4.04Å; Y195-V210 HydrophobicContact CD1-CG2 3.58Å; Y195-V210 HydrophobicContact CD2-CB 4.23Å; Y195-V210 HydrophobicContact CD2-CG2 3.59Å; Y195-V210 HydrophobicContact CE1-CB 4.01Å; Y195-V210 HydrophobicContact CE1-CG2 4.07Å; Y195-V210 HydrophobicContact CE2-CB 4.23Å; Y195-V210 HydrophobicContact CE2-CG2 4.09Å; Y195-V210 HydrophobicContact CG-CB 4.12Å; Y195-V210 HydrophobicContact CG-CG2 3.29Å
211	T	96.9	Very high	96.6	Very high	27 Å²	27	29 Å²	29	17%	0.166	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.5	177.6	54.5	0	0	0	0	110.7	Q156 V157 L158 V159	Q156-T211 PolarHBondContact NE2-OG1 3.22Å; Q156-T211 VanDerWaalsContact NE2-OG1 3.08Å; V157-T211 PolarHBondContact O-N 2.82Å; L158-T211 CarbonylContact C-O 3.55Å; L158-T211 WeakPolarHBondContact CA-O 3.49Å; L158-T211 VanDerWaalsContact CD2-OG1 3.31Å; L158-T211 WeakPolarHBondContact CD2-OG1 3.43Å; V159-T211 PolarHBondContact N-O 3.38Å
212	C	97.9	Very high	96.7	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.034	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	144.2	175.4	-64.8	0	0	0	0	111.7	V159 R179 C181	V159-C212 WeakPolarHBondContact O-CA 3.23Å; R179-C212 PolarHBondContact N-O 3.48Å; C181-C212 WeakPolarHBondContact CA-SG 3.44Å; C181-C212 HydrophobicContact CB-CB 3.89Å; C181-C212 WeakPolarHBondContact CB-SG 3.2Å; C181-C212 WeakPolarHBondContact SG-CB 3.15Å; C181-C212 CovalentContact SG-SG 2.03Å; C181-C212 PolarHBondContact SG-SG 2.87Å
213	L	97.4	Very high	96.7	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.4	-178.1	-166.4	73.3	0	0	0	108.7	L158 V159 L160 Q161 V176 Q178 A215 L222 L225	L158-L213 HydrophobicContact CD1-CD2 4.34Å; V159-L213 PolarHBondContact O-N 3.22Å; L160-L213 CarbonylContact C-O 3.41Å; L160-L213 WeakPolarHBondContact CA-O 3.22Å; L160-L213 HydrophobicContact CD2-CB 4Å; L160-L213 HydrophobicContact CD2-CD2 3.8Å; L160-L213 HydrophobicContact CD2-CG 4.37Å; Q161-L213 PolarHBondContact N-O 2.79Å; V176-L213 HydrophobicContact CG2-CD1 3.82Å; V176-L213 HydrophobicContact CG2-CD2 3.43Å; V176-L213 VanDerWaalsContact CG2-CD2 3.43Å; V176-L213 HydrophobicContact CG2-CG 3.55Å; Q178-L213 HydrophobicContact CB-CD1 4.41Å; L213-A215 PolarHBondContact O-N 2.9Å; L213-L222 HydrophobicContact CD2-CD2 3.81Å; L213-L225 HydrophobicContact CD1-CD1 3.63Å; L213-L225 HydrophobicContact CD2-CD1 4.37Å; L213-L225 HydrophobicContact CD2-CD2 4.44Å
214	S	97.3	Very high	96.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.8	171.5	-73.8	0	0	0	0	108.3	Q161 N162 Y163 V176 D177	Q161-S214 PolarHBondContact NE2-OG 3.14Å; Q161-S214 VanDerWaalsContact NE2-OG 3.08Å; Q161-S214 CarbonylContact O-C 3.59Å; Q161-S214 VanDerWaalsContact O-CA 3.25Å; Q161-S214 WeakPolarHBondContact O-CA 3.46Å; N162-S214 PolarHBondContact O-OG 2.82Å; Y163-S214 PolarHBondContact OH-O 3.26Å; V176-S214 WeakPolarHBondContact CA-O 3.5Å; D177-S214 PolarHBondContact N-O 3.38Å; D177-S214 PolarHBondContact O-N 2.73Å
215	A	96.1	Very high	96.7	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	-177	0	0	0	0	0	110.4	Q161 V176 L213 L222 V243	Q161-A215 PolarHBondContact O-N 3.36Å; V176-A215 HydrophobicContact CG2-CB 4.42Å; L213-A215 PolarHBondContact O-N 2.9Å; A215-L222 HydrophobicContact CB-CD2 4.3Å; A215-V243 HydrophobicContact CB-CG1 4.27Å
216	Q	94.8	Very high	96.6	Very high	16 Å²	16	21.2 Å²	21.2	8%	0.075	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	114.8	171.2	178	176.8	-22.3	0	0	106	Y163 W172 E173 E174 K175	Y163-Q216 HydrophobicContact CD2-CB 4.05Å; Y163-Q216 HydrophobicContact CE2-CB 3.96Å; W172-Q216 VanDerWaalsContact CG-NE2 3.35Å; W172-Q216 HydrophobicContact CZ2-CG 4.16Å; E173-Q216 WeakPolarHBondContact O-CG 3.28Å; E173-Q216 PolarHBondContact O-NE2 3.45Å; E174-Q216 CarbonylContact C-O 3.51Å; E174-Q216 VanDerWaalsContact CA-O 3.23Å; E174-Q216 WeakPolarHBondContact CA-O 3.12Å; K175-Q216 HydrophobicContact CG-CB 4.36Å; K175-Q216 PolarHBondContact N-O 3.35Å; K175-Q216 PolarHBondContact O-N 2.83Å; K175-Q216 VanDerWaalsContact O-O 3.08Å
217	G	94.3	Very high	96.3	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	151.3	-172.7	-176.2	0	0	0	0	0	113.9	L244	G217-L244 PolarHBondContact O-N 3.48Å
218	H	96.2	Very high	95.9	Very high	48 Å²	48	27.4 Å²	27.4	22%	0.222	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-81	161.2	171.7	-53.3	101.2	0	0	0	111.5	E174 S220 I221 L244 H245 D246	E174-H218 IonicContact OE1-CE1 3.44Å; E174-H218 PolarHBondContact OE1-CE1 3.45Å; E174-H218 IonicContact OE1-ND1 3.99Å; E174-H218 PolarHBondContact OE1-ND1 3.43Å; E174-H218 PolarHBondContact OE2-N 2.99Å; E174-H218 IonicContact OE2-ND1 3.86Å; E174-H218 PolarHBondContact OE2-ND1 2.98Å; H218-S220 PolarHBondContact O-N 3.42Å; H218-S220 VanDerWaalsContact O-N 3.15Å; H218-I221 WeakPolarHBondContact O-CB 3.49Å; H218-I221 WeakPolarHBondContact O-CG2 3.4Å; H218-I221 PolarHBondContact O-N 3.46Å; H218-L244 CarbonylContact C-O 3.52Å; H218-L244 WeakPolarHBondContact CA-O 3.43Å; H218-H245 VanDerWaalsContact CD2-C 3.49Å; H218-H245 PolarHBondContact CD2-O 3.29Å; H218-D246 HydrophobicContact CB-CB 4.38Å; H218-D246 WeakPolarHBondContact CB-OD1 3.4Å
219	A	97.1	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-54.1	-38.8	-175	0	0	0	0	0	113.3	R85 M86 L89 I221 L222 V243 L244 D246	R85-A219 HydrophobicContact CB-CB 4.12Å; R85-A219 WeakPolarHBondContact O-CB 3.41Å; M86-A219 HydrophobicContact CE-CB 4.22Å; L89-A219 HydrophobicContact CB-CB 4.13Å; L89-A219 WeakPolarHBondContact CD1-O 3.49Å; A219-I221 PolarHBondContact O-N 3.38Å; A219-I221 VanDerWaalsContact O-N 3.16Å; A219-L222 WeakPolarHBondContact O-CB 3.37Å; A219-L222 PolarHBondContact O-N 2.92Å; A219-V243 HydrophobicContact CB-CB 4.38Å; A219-V243 HydrophobicContact CB-CG2 3.89Å; A219-L244 PolarHBondContact N-O 2.9Å; A219-D246 PolarHBondContact N-OD1 3.42Å
220	S	96.4	Very high	95.3	Very high	25 Å²	25	28 Å²	28	18%	0.175	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-65.6	-13.8	179.3	-77.1	0	0	0	0	114.7	T92 H218 L222 A223 D246	T92-S220 WeakPolarHBondContact CB-OG 3.13Å; T92-S220 PolarHBondContact OG1-OG 3.09Å; H218-S220 PolarHBondContact O-N 3.42Å; H218-S220 VanDerWaalsContact O-N 3.15Å; S220-L222 PolarHBondContact O-N 2.77Å; S220-L222 VanDerWaalsContact O-N 3.16Å; S220-A223 VanDerWaalsContact O-CB 3.32Å; S220-A223 WeakPolarHBondContact O-CB 3.28Å; S220-A223 PolarHBondContact O-N 3.08Å; S220-D246 WeakPolarHBondContact CB-OD1 3.42Å; S220-D246 VanDerWaalsContact CB-OD2 3.31Å; S220-D246 WeakPolarHBondContact CB-OD2 3.5Å; S220-D246 PolarHBondContact N-OD1 3.2Å; S220-D246 VanDerWaalsContact OG-CG 3.31Å; S220-D246 PolarHBondContact OG-OD1 3.06Å; S220-D246 PolarHBondContact OG-OD2 3.39Å
221	I	96.6	Very high	95	Very high	38 Å²	38	34.2 Å²	34.2	20%	0.195	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.4	173.6	-161.8	56.8	0	0	0	112.2	E174 V176 H218 A219 A223 P224	E174-I221 HydrophobicContact CB-CD1 3.98Å; E174-I221 HydrophobicContact CB-CG1 4.27Å; V176-I221 HydrophobicContact CG1-CG1 4.33Å; H218-I221 WeakPolarHBondContact O-CB 3.49Å; H218-I221 WeakPolarHBondContact O-CG2 3.4Å; H218-I221 PolarHBondContact O-N 3.46Å; A219-I221 PolarHBondContact O-N 3.38Å; A219-I221 VanDerWaalsContact O-N 3.16Å; I221-A223 VanDerWaalsContact C-N 3.31Å; I221-P224 WeakPolarHBondContact O-CD 3.31Å
222	L	97.4	Very high	94.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-75	-21.1	178.3	-57.8	-178.6	0	0	0	112.4	L89 L160 V176 L213 A215 A219 S220 L225 L226 L237 V243	L89-L222 HydrophobicContact CD1-CB 4.25Å; L89-L222 HydrophobicContact CD2-CB 4.18Å; L89-L222 HydrophobicContact CD2-CD1 4.1Å; L160-L222 HydrophobicContact CD1-CD1 4.21Å; L160-L222 HydrophobicContact CD2-CD1 4.47Å; L160-L222 HydrophobicContact CD2-CD2 4.49Å; V176-L222 HydrophobicContact CB-CD2 4.38Å; V176-L222 HydrophobicContact CG2-CD2 3.65Å; L213-L222 HydrophobicContact CD2-CD2 3.81Å; A215-L222 HydrophobicContact CB-CD2 4.3Å; A219-L222 WeakPolarHBondContact O-CB 3.37Å; A219-L222 PolarHBondContact O-N 2.92Å; S220-L222 PolarHBondContact O-N 2.77Å; S220-L222 VanDerWaalsContact O-N 3.16Å; L222-L225 PolarHBondContact O-N 2.96Å; L222-L226 HydrophobicContact CB-CD1 4.21Å; L222-L226 HydrophobicContact CB-CG 4.48Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.14Å; L222-L237 HydrophobicContact CD1-CD1 3.67Å; L222-L237 HydrophobicContact CD1-CD2 4.45Å; L222-V243 HydrophobicContact CD1-CG1 4.07Å; L222-V243 HydrophobicContact CG-CG1 4.31Å
223	A	96.6	Very high	94.7	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-46.3	-170.3	0	0	0	0	0	114	L89 T92 L93 S220 I221 L225 L226 Q227	L89-A223 HydrophobicContact CD1-CB 3.9Å; T92-A223 HydrophobicContact CG2-CB 3.7Å; L93-A223 HydrophobicContact CD2-CB 3.87Å; L93-A223 HydrophobicContact CG-CB 4.37Å; S220-A223 VanDerWaalsContact O-CB 3.32Å; S220-A223 WeakPolarHBondContact O-CB 3.28Å; S220-A223 PolarHBondContact O-N 3.08Å; I221-A223 VanDerWaalsContact C-N 3.31Å; A223-L225 VanDerWaalsContact C-N 3.29Å; A223-L225 PolarHBondContact O-N 3.33Å; A223-L226 PolarHBondContact O-N 2.81Å; A223-Q227 WeakPolarHBondContact O-CB 3.38Å; A223-Q227 VanDerWaalsContact O-CG 3.29Å; A223-Q227 WeakPolarHBondContact O-CG 3.19Å; A223-Q227 PolarHBondContact O-N 2.97Å
224	P	95.3	Very high	94.7	Very high	68 Å²	68	36.5 Å²	36.5	44%	0.442	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-37.6	178.5	-23.9	35.2	0	0	0	113	I221 N228	I221-P224 WeakPolarHBondContact O-CD 3.31Å; P224-N228 VanDerWaalsContact O-CB 3.3Å; P224-N228 WeakPolarHBondContact O-CB 3.45Å; P224-N228 PolarHBondContact O-N 2.93Å; P224-N228 PolarHBondContact O-ND2 3.45Å
225	L	95.1	Very high	94.7	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.141	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-46.3	178.3	-178.1	150.2	0	0	0	111.1	L158 V176 L213 L222 A223 Q227 N229 I230	L158-L225 HydrophobicContact CD1-CD2 4.31Å; V176-L225 HydrophobicContact CG1-CD1 4.42Å; V176-L225 HydrophobicContact CG2-CD1 4.07Å; L213-L225 HydrophobicContact CD1-CD1 3.63Å; L213-L225 HydrophobicContact CD2-CD1 4.37Å; L213-L225 HydrophobicContact CD2-CD2 4.44Å; L222-L225 PolarHBondContact O-N 2.96Å; A223-L225 VanDerWaalsContact C-N 3.29Å; A223-L225 PolarHBondContact O-N 3.33Å; L225-Q227 VanDerWaalsContact C-N 3.26Å; L225-Q227 PolarHBondContact O-N 3.04Å; L225-N229 HydrophobicContact CG-CB 4.35Å; L225-N229 WeakPolarHBondContact O-CB 3.45Å; L225-N229 PolarHBondContact O-N 3.25Å; L225-I230 HydrophobicContact CD2-CD1 3.58Å; L225-I230 HydrophobicContact CD2-CG1 3.98Å; L225-I230 PolarHBondContact O-N 3.24Å
226	L	95.6	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-33.2	177.8	-68.2	178.8	0	0	0	112.3	R64 L66 L89 L93 W99 L158 L222 A223 I230 V235	R64-L226 PolarHBondContact NH1-O 3.44Å; R64-L226 PolarHBondContact NH2-O 2.7Å; L66-L226 HydrophobicContact CD1-CD1 4.26Å; L89-L226 HydrophobicContact CD1-CD1 4.34Å; L89-L226 HydrophobicContact CD2-CD1 4.02Å; L93-L226 HydrophobicContact CD1-CD1 3.93Å; L93-L226 HydrophobicContact CD2-CB 3.91Å; L93-L226 HydrophobicContact CD2-CD1 4.29Å; W99-L226 HydrophobicContact CH2-CB 4.38Å; W99-L226 HydrophobicContact CZ2-CB 4.3Å; L158-L226 HydrophobicContact CD1-CD2 3.88Å; L222-L226 HydrophobicContact CB-CD1 4.21Å; L222-L226 HydrophobicContact CB-CG 4.48Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.14Å; A223-L226 PolarHBondContact O-N 2.81Å; L226-I230 HydrophobicContact CD2-CD1 4.01Å; L226-V235 HydrophobicContact CD2-CG1 3.83Å
227	Q	91.8	Very high	95	Very high	43 Å²	43	35.6 Å²	35.6	20%	0.201	20%	0.202	C	C	.	.	H	α-helix	trans	-79.3	-47.4	179.4	-74.9	170.8	-11.2	0	0	113.1	L93 A223 L225	L93-Q227 HydrophobicContact CD2-CG 3.81Å; L93-Q227 PolarHBondContact O-NE2 3.03Å; A223-Q227 WeakPolarHBondContact O-CB 3.38Å; A223-Q227 VanDerWaalsContact O-CG 3.29Å; A223-Q227 WeakPolarHBondContact O-CG 3.19Å; A223-Q227 PolarHBondContact O-N 2.97Å; L225-Q227 VanDerWaalsContact C-N 3.26Å; L225-Q227 PolarHBondContact O-N 3.04Å
228	N	89.8	Confident	95.2	Very high	123 Å²	123	36.3 Å²	36.3	66%	0.658	21%	0.206	S	C	*	.	H	α-helix	trans	-99.9	-31.7	-166.3	-58.9	-47.9	0	0	0	113.7	P224	P224-N228 VanDerWaalsContact O-CB 3.3Å; P224-N228 WeakPolarHBondContact O-CB 3.45Å; P224-N228 PolarHBondContact O-N 2.93Å; P224-N228 PolarHBondContact O-ND2 3.45Å
229	N	90.4	Very high	95.3	Very high	126 Å²	126	36 Å²	36	67%	0.674	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-23.2	-171.1	-64.4	70.1	0	0	0	112.7	L225	L225-N229 HydrophobicContact CG-CB 4.35Å; L225-N229 WeakPolarHBondContact O-CB 3.45Å; L225-N229 PolarHBondContact O-N 3.25Å
230	I	90.9	Very high	95.3	Very high	20 Å²	20	36 Å²	36	10%	0.103	20%	0.204	C	C	.	.			trans	-110.4	116	-178	-58.9	-171	0	0	0	109.5	R64 Q156 L158 L225 L226 V235	R64-I230 PolarHBondContact NH1-O 2.81Å; R64-I230 PolarHBondContact NH2-O 3.5Å; Q156-I230 HydrophobicContact CG-CD1 4.35Å; Q156-I230 HydrophobicContact CG-CG2 4.46Å; L158-I230 HydrophobicContact CD1-CD1 3.5Å; L158-I230 HydrophobicContact CD2-CD1 4.03Å; L158-I230 HydrophobicContact CG-CD1 4.23Å; L225-I230 HydrophobicContact CD2-CD1 3.58Å; L225-I230 HydrophobicContact CD2-CG1 3.98Å; L225-I230 PolarHBondContact O-N 3.24Å; L226-I230 HydrophobicContact CD2-CD1 4.01Å; I230-V235 HydrophobicContact CG2-CG2 3.77Å
231	T	90.8	Very high	95.4	Very high	138 Å²	138	36.5 Å²	36.5	85%	0.847	20%	0.203	S	C	*	.			trans	-90.2	-3.7	177.2	58	0	0	0	0	113.3
232	S	94.1	Very high	95.4	Very high	18 Å²	18	36 Å²	36	13%	0.126	20%	0.202	C	C	.	.			trans	-67.4	141.3	-175.5	-63.3	0	0	0	0	113.4	R64 E155	R64-S232 VanDerWaalsContact CZ-O 3.28Å; R64-S232 PolarHBondContact NE-O 3.5Å; R64-S232 PolarHBondContact NH2-O 2.89Å; E155-S232 WeakPolarHBondContact OE2-CA 3.38Å; E155-S232 VanDerWaalsContact OE2-CB 3.26Å; E155-S232 WeakPolarHBondContact OE2-CB 3.39Å
233	T	94.5	Very high	95.4	Very high	62 Å²	62	36 Å²	36	38%	0.38	20%	0.202	S	C	.	.	S	Bend	trans	-69.9	-43.7	177.4	-41	0	0	0	0	111.1	L63 R64 Y65 E155	L63-T233 VanDerWaalsContact O-CG2 3.3Å; L63-T233 WeakPolarHBondContact O-CG2 3.18Å; R64-T233 CarbonylContact C-O 3.5Å; R64-T233 WeakPolarHBondContact CA-O 3.46Å; Y65-T233 HydrophobicContact CD2-CG2 4.39Å; Y65-T233 PolarHBondContact N-O 3.04Å; E155-T233 WeakPolarHBondContact OE1-CB 3.3Å; E155-T233 PolarHBondContact OE1-OG1 3.47Å; E155-T233 PolarHBondContact OE2-N 2.55Å
234	S	97.4	Very high	95.4	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.1	178.5	57.6	0	0	0	0	111.4	Y65 F153 E155 Q156	Y65-S234 WeakPolarHBondContact O-CA 3.48Å; F153-S234 PolarHBondContact O-OG 2.74Å; E155-S234 PolarHBondContact N-O 2.89Å; E155-S234 PolarHBondContact N-OG 2.63Å; Q156-S234 PolarHBondContact N-O 3.19Å; Q156-S234 VanDerWaalsContact N-O 3.1Å
235	V	98.3	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125	-179.2	-173.1	0	0	0	0	109.8	Y65 L66 L67 W99 Q156 L158 L226 I230	Y65-V235 PolarHBondContact O-N 3.04Å; L66-V235 WeakPolarHBondContact CA-O 3.38Å; L67-V235 PolarHBondContact N-O 2.67Å; W99-V235 HydrophobicContact CH2-CG2 4.19Å; W99-V235 HydrophobicContact CZ3-CG2 4.48Å; Q156-V235 HydrophobicContact CB-CG2 4.45Å; Q156-V235 CarbonylContact O-C 3.58Å; Q156-V235 VanDerWaalsContact O-CA 3.29Å; Q156-V235 WeakPolarHBondContact O-CA 3.49Å; L158-V235 HydrophobicContact CD1-CG1 3.92Å; L158-V235 HydrophobicContact CG-CG1 4.17Å; L226-V235 HydrophobicContact CD2-CG1 3.83Å; I230-V235 HydrophobicContact CG2-CG2 3.77Å
236	M	98.7	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.9	174.8	179	-179.7	173.5	0	0	111	L67 D69 I154 Q156 V157 L158 F199 W200 D238	L67-M236 HydrophobicContact CB-CB 4.02Å; L67-M236 HydrophobicContact CB-CG 4.16Å; L67-M236 CarbonylContact O-C 3.56Å; L67-M236 VanDerWaalsContact O-CA 3.29Å; L67-M236 WeakPolarHBondContact O-CA 3.39Å; D69-M236 HydrophobicContact CB-CE 3.62Å; I154-M236 HydrophobicContact CD1-CB 4.39Å; I154-M236 HydrophobicContact CD1-SD 3.86Å; I154-M236 HydrophobicContact CG2-CB 3.72Å; Q156-M236 PolarHBondContact O-N 2.97Å; V157-M236 CarbonylContact C-O 3.56Å; V157-M236 WeakPolarHBondContact CA-O 3.3Å; V157-M236 HydrophobicContact CG1-CB 4.43Å; V157-M236 HydrophobicContact CG1-CG 4.43Å; V157-M236 HydrophobicContact CG1-SD 4.36Å; V157-M236 HydrophobicContact CG2-CB 4.3Å; V157-M236 HydrophobicContact CG2-SD 4.44Å; L158-M236 PolarHBondContact N-O 3.45Å; F199-M236 HydrophobicContact CD1-CE 4.31Å; F199-M236 HydrophobicContact CD1-SD 3.81Å; F199-M236 HydrophobicContact CE1-CE 4.49Å; F199-M236 HydrophobicContact CE1-SD 3.65Å; W200-M236 HydrophobicContact CH2-CE 3.89Å; W200-M236 HydrophobicContact CH2-CG 4.37Å; W200-M236 HydrophobicContact CH2-SD 3.79Å; W200-M236 HydrophobicContact CZ2-CE 3.66Å; W200-M236 HydrophobicContact CZ2-SD 4.16Å; M236-D238 HydrophobicContact CE-CB 4.48Å
237	L	98.6	Very high	95.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	104.3	170.5	-56.8	-177.9	0	0	0	109.8	L66 L67 Y68 D69 M86 L89 L158 L222	L66-L237 HydrophobicContact CD1-CD1 3.93Å; L66-L237 HydrophobicContact CD1-CG 3.92Å; L67-L237 PolarHBondContact O-N 2.95Å; Y68-L237 CarbonylContact C-O 3.35Å; Y68-L237 WeakPolarHBondContact CA-O 3.43Å; Y68-L237 WeakPolarHBondContact CB-O 3.32Å; D69-L237 PolarHBondContact N-O 2.71Å; M86-L237 HydrophobicContact SD-CD1 3.93Å; L89-L237 HydrophobicContact CD2-CD1 3.75Å; L158-L237 HydrophobicContact CB-CD2 3.98Å; L158-L237 HydrophobicContact CD1-CD2 3.8Å; L158-L237 HydrophobicContact CG-CD2 4.36Å; L222-L237 HydrophobicContact CD1-CD1 3.67Å; L222-L237 HydrophobicContact CD1-CD2 4.45Å
238	D	97.9	Very high	95.4	Very high	17 Å²	17	46.5 Å²	46.5	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	151.7	172.7	-166.1	6.9	0	0	0	110.4	V157 L158 V159 L160 Y187 M236 A240	V157-D238 HydrophobicContact CG1-CB 4.46Å; L158-D238 PolarHBondContact O-N 2.84Å; V159-D238 HydrophobicContact CG2-CB 4.34Å; L160-D238 WeakPolarHBondContact CB-O 3.5Å; L160-D238 WeakPolarHBondContact CG-O 3.49Å; L160-D238 PolarHBondContact N-O 3.33Å; Y187-D238 VanDerWaalsContact CE2-OD2 3.23Å; Y187-D238 WeakPolarHBondContact CE2-OD2 3.49Å; Y187-D238 VanDerWaalsContact OH-CG 3.26Å; Y187-D238 PolarHBondContact OH-OD2 3.12Å; M236-D238 HydrophobicContact CE-CB 4.48Å; D238-A240 VanDerWaalsContact C-N 3.33Å
239	K	97	Very high	95.5	Very high	42 Å²	42	41.3 Å²	41.3	18%	0.183	22%	0.218	C	C	.	.	S	Bend	trans	55.7	43.7	-171.2	-61.1	-172.3	175.3	-171.6	0	113.2	D69 V159 L160 E183 E241 T242	D69-K239 PolarHBondContact O-N 3.28Å; V159-K239 HydrophobicContact CG1-CD 4.47Å; L160-K239 HydrophobicContact CB-CB 4.39Å; L160-K239 WeakPolarHBondContact O-CB 3.41Å; L160-K239 WeakPolarHBondContact O-CD 3.43Å; E183-K239 IonicContact OE2-NZ 3.77Å; E183-K239 PolarHBondContact OE2-NZ 3.37Å; K239-E241 VanDerWaalsContact CA-OE2 3.23Å; K239-E241 WeakPolarHBondContact CA-OE2 3.31Å; K239-E241 WeakPolarHBondContact CB-OE1 3.3Å; K239-E241 PolarHBondContact O-N 2.88Å; K239-T242 VanDerWaalsContact O-CB 3.31Å; K239-T242 WeakPolarHBondContact O-CB 3.45Å; K239-T242 PolarHBondContact O-N 3.43Å; K239-T242 PolarHBondContact O-OG1 3.41Å
240	A	98.2	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.2	-15.7	-176	0	0	0	0	0	114.5	Y68 D69 I70 V82 M86 D238 T242 V243	Y68-A240 HydrophobicContact CD2-CB 4Å; Y68-A240 HydrophobicContact CG-CB 4.45Å; D69-A240 WeakPolarHBondContact O-CB 3.31Å; D69-A240 PolarHBondContact O-N 2.9Å; I70-A240 HydrophobicContact CG1-CB 4.45Å; V82-A240 HydrophobicContact CG1-CB 3.79Å; M86-A240 HydrophobicContact CE-CB 4.2Å; M86-A240 HydrophobicContact CG-CB 4.45Å; M86-A240 HydrophobicContact SD-CB 3.96Å; D238-A240 VanDerWaalsContact C-N 3.33Å; A240-T242 PolarHBondContact O-N 3.05Å; A240-V243 WeakPolarHBondContact O-CG2 3.48Å
241	E	97.5	Very high	96	Very high	36 Å²	36	40 Å²	40	17%	0.168	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.5	-16.8	171.9	74.4	-67.2	161	0	0	114.1	I70 N71 V82 R85 K239 V243	I70-E241 WeakPolarHBondContact CA-OE2 3.49Å; I70-E241 HydrophobicContact CG2-CB 4.2Å; I70-E241 WeakPolarHBondContact CG2-OE2 3.16Å; N71-E241 HydrophobicContact CB-CG 4.47Å; N71-E241 WeakPolarHBondContact CB-OE1 3.46Å; N71-E241 PolarHBondContact N-OE2 3.48Å; V82-E241 HydrophobicContact CG2-CB 3.99Å; R85-E241 PolarHBondContact NH1-O 3.33Å; K239-E241 VanDerWaalsContact CA-OE2 3.23Å; K239-E241 WeakPolarHBondContact CA-OE2 3.31Å; K239-E241 WeakPolarHBondContact CB-OE1 3.3Å; K239-E241 PolarHBondContact O-N 2.88Å; E241-V243 VanDerWaalsContact C-N 3.27Å; E241-V243 PolarHBondContact O-N 3.28Å
242	T	97.1	Very high	96.2	Very high	28 Å²	28	37.2 Å²	37.2	17%	0.172	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-59.5	-34.9	179.4	-56.7	0	0	0	0	112.5	L160 K239 A240	L160-T242 HydrophobicContact CB-CG2 4.33Å; K239-T242 VanDerWaalsContact O-CB 3.31Å; K239-T242 WeakPolarHBondContact O-CB 3.45Å; K239-T242 PolarHBondContact O-N 3.43Å; K239-T242 PolarHBondContact O-OG1 3.41Å; A240-T242 PolarHBondContact O-N 3.05Å
243	V	97.3	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-91.8	147.9	-179.7	-66	0	0	0	0	112	R85 M86 L160 A215 A219 L222 A240 E241	R85-V243 WeakPolarHBondContact CD-O 3.41Å; R85-V243 PolarHBondContact NH1-O 2.75Å; M86-V243 HydrophobicContact CE-CG2 3.51Å; L160-V243 HydrophobicContact CD1-CG1 4.16Å; A215-V243 HydrophobicContact CB-CG1 4.27Å; A219-V243 HydrophobicContact CB-CB 4.38Å; A219-V243 HydrophobicContact CB-CG2 3.89Å; L222-V243 HydrophobicContact CD1-CG1 4.07Å; L222-V243 HydrophobicContact CG-CG1 4.31Å; A240-V243 WeakPolarHBondContact O-CG2 3.48Å; E241-V243 VanDerWaalsContact C-N 3.27Å; E241-V243 PolarHBondContact O-N 3.28Å
244	L	97	Very high	96.6	Very high	77 Å²	77	33.8 Å²	33.8	40%	0.403	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-92.2	173	-176.3	-55.9	179.6	0	0	0	112.6	W172 G217 H218 A219	W172-L244 HydrophobicContact CH2-CD1 4.31Å; W172-L244 HydrophobicContact CZ2-CD1 3.83Å; G217-L244 PolarHBondContact O-N 3.48Å; H218-L244 CarbonylContact C-O 3.52Å; H218-L244 WeakPolarHBondContact CA-O 3.43Å; A219-L244 PolarHBondContact N-O 2.9Å
245	H	97.4	Very high	96.6	Very high	20 Å²	20	34.5 Å²	34.5	9%	0.093	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-75.2	124.7	173.3	-70.6	-85.2	0	0	0	111.6	D81 R85 H218 H247 Y248 Y253	D81-H245 PolarHBondContact O-CE1 3.14Å; D81-H245 IonicContact OD1-CE1 3.5Å; D81-H245 PolarHBondContact OD1-CE1 2.91Å; D81-H245 IonicContact OD1-NE2 3.34Å; D81-H245 PolarHBondContact OD1-NE2 3.38Å; D81-H245 IonicContact OD2-CD2 2.87Å; D81-H245 IonicContact OD2-CE1 3.58Å; D81-H245 IonicContact OD2-NE2 3.68Å; D81-H245 PolarHBondContact OD2-NE2 2.76Å; R85-H245 VanDerWaalsContact CG-CE1 3.49Å; R85-H245 WeakPolarHBondContact CG-CE1 3.17Å; R85-H245 PolarHBondContact NE-NE2 3.04Å; H218-H245 VanDerWaalsContact CD2-C 3.49Å; H218-H245 PolarHBondContact CD2-O 3.29Å; H245-H247 PolarHBondContact O-N 3.38Å; H245-Y248 HydrophobicContact CB-CD2 4.1Å; H245-Y248 AromaticContact CD2-CD2 3.49Å; H245-Y248 VanDerWaalsContact CD2-CD2 3.49Å; H245-Y248 WeakPolarHBondContact CD2-CD2 3.19Å; H245-Y248 AromaticContact CD2-CE2 3.95Å; H245-Y248 AromaticContact CG-CD2 3.75Å; H245-Y248 AromaticContact NE2-CD2 3.92Å; H245-Y248 AromaticContact NE2-CE2 3.95Å; H245-Y253 AromaticContact CE1-CD2 3.96Å; H245-Y253 AromaticContact CE1-CE2 3.56Å; H245-Y253 AromaticContact ND1-CD2 3.67Å; H245-Y253 AromaticContact ND1-CE2 3.75Å
246	D	93.4	Very high	96.6	Very high	31 Å²	31	34.5 Å²	34.5	17%	0.166	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-55.7	178.3	-61.7	-17.5	0	0	0	113.3	H218 A219 S220	H218-D246 HydrophobicContact CB-CB 4.38Å; H218-D246 WeakPolarHBondContact CB-OD1 3.4Å; A219-D246 PolarHBondContact N-OD1 3.42Å; S220-D246 WeakPolarHBondContact CB-OD1 3.42Å; S220-D246 VanDerWaalsContact CB-OD2 3.31Å; S220-D246 WeakPolarHBondContact CB-OD2 3.5Å; S220-D246 PolarHBondContact N-OD1 3.2Å; S220-D246 VanDerWaalsContact OG-CG 3.31Å; S220-D246 PolarHBondContact OG-OD1 3.06Å; S220-D246 PolarHBondContact OG-OD2 3.39Å
247	H	93.3	Very high	96.6	Very high	155 Å²	155	34.6 Å²	34.6	72%	0.718	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-138.2	87.8	175.3	-64.3	-41.5	0	0	0	109.2	H245 A249 G250	H245-H247 PolarHBondContact O-N 3.38Å; H247-A249 PolarHBondContact O-N 3.34Å; H247-G250 PolarHBondContact O-N 2.97Å
248	Y	93.6	Very high	96.5	Very high	79 Å²	79	35 Å²	35	31%	0.31	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	134.3	179	-169.1	-99.7	0	0	0	111.4	H245 G250 Y253 W445	H245-Y248 HydrophobicContact CB-CD2 4.1Å; H245-Y248 AromaticContact CD2-CD2 3.49Å; H245-Y248 VanDerWaalsContact CD2-CD2 3.49Å; H245-Y248 WeakPolarHBondContact CD2-CD2 3.19Å; H245-Y248 AromaticContact CD2-CE2 3.95Å; H245-Y248 AromaticContact CG-CD2 3.75Å; H245-Y248 AromaticContact NE2-CD2 3.92Å; H245-Y248 AromaticContact NE2-CE2 3.95Å; Y248-G250 PolarHBondContact O-N 2.74Å; Y248-G250 VanDerWaalsContact O-N 3.07Å; Y248-Y253 HydrophobicContact CD2-CD2 4.11Å; Y248-Y253 AromaticContact CD2-CE2 3.69Å; Y248-Y253 HydrophobicContact CD2-CE2 3.69Å; Y248-Y253 HydrophobicContact CE2-CD2 4.38Å; Y248-Y253 AromaticContact CE2-CE2 3.52Å; Y248-Y253 HydrophobicContact CE2-CE2 3.52Å; Y248-Y253 AromaticContact CE2-CZ 3.71Å; Y248-W445 AromaticContact CD1-CD2 3.97Å; Y248-W445 HydrophobicContact CD1-CD2 3.97Å; Y248-W445 HydrophobicContact CD1-CE3 4.07Å; Y248-W445 HydrophobicContact CD1-CG 4.5Å; Y248-W445 HydrophobicContact CD1-CH2 4.34Å; Y248-W445 HydrophobicContact CD1-CZ2 4.25Å; Y248-W445 HydrophobicContact CD1-CZ3 4.25Å; Y248-W445 AromaticContact CE1-CD1 3.82Å; Y248-W445 AromaticContact CE1-CD2 3.64Å; Y248-W445 HydrophobicContact CE1-CD2 3.64Å; Y248-W445 AromaticContact CE1-CE2 3.63Å; Y248-W445 HydrophobicContact CE1-CE3 4.21Å; Y248-W445 AromaticContact CE1-CG 3.77Å; Y248-W445 HydrophobicContact CE1-CG 3.77Å; Y248-W445 HydrophobicContact CE1-CZ2 4.19Å; Y248-W445 AromaticContact CE1-NE1 3.72Å
249	A	93.1	Very high	96.6	Very high	13 Å²	13	34.1 Å²	34.1	11%	0.107	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	14.8	-175.4	0	0	0	0	0	115.8	H247 W254 W445	H247-A249 PolarHBondContact O-N 3.34Å; A249-W254 VanDerWaalsContact O-CD1 3.23Å; A249-W254 PolarHBondContact O-NE1 3.07Å; A249-W445 HydrophobicContact CB-CB 3.92Å; A249-W445 HydrophobicContact CB-CD2 4.2Å; A249-W445 HydrophobicContact CB-CE3 3.7Å; A249-W445 HydrophobicContact CB-CG 4.33Å
250	G	95.8	Very high	96.6	Very high	22 Å²	22	32.2 Å²	32.2	23%	0.227	16%	0.161	C	C	.	.	S	Bend	trans	-75.3	178.2	169.3	0	0	0	0	0	112.9	H247 Y248 D252 Y253 W254	H247-G250 PolarHBondContact O-N 2.97Å; Y248-G250 PolarHBondContact O-N 2.74Å; Y248-G250 VanDerWaalsContact O-N 3.07Å; G250-D252 PolarHBondContact O-N 2.85Å; G250-Y253 WeakPolarHBondContact O-CB 3.11Å; G250-Y253 PolarHBondContact O-N 3.26Å; G250-W254 VanDerWaalsContact O-CD1 3.26Å; G250-W254 PolarHBondContact O-N 3.13Å
251	K	95.7	Very high	96.6	Very high	97 Å²	97	32.2 Å²	32.2	42%	0.422	16%	0.162	S	C	.	.	H	α-helix	trans	-56.4	-48.4	179.5	-174.5	-177.6	-179.1	-62.5	0	112.3	Y253 W254 D255 V448 Y449	K251-Y253 VanDerWaalsContact C-N 3.32Å; K251-Y253 PolarHBondContact O-N 3.01Å; K251-W254 PolarHBondContact O-N 3.44Å; K251-W254 VanDerWaalsContact O-N 3.15Å; K251-D255 IonicContact NZ-OD2 3.04Å; K251-D255 PolarHBondContact NZ-OD2 2.82Å; K251-D255 PolarHBondContact O-N 2.92Å; K251-V448 HydrophobicContact CB-CG1 4.04Å; K251-Y449 WeakPolarHBondContact CE-OXT 3.07Å
252	D	95.4	Very high	96.7	Very high	80 Å²	80	30.6 Å²	30.6	43%	0.428	15%	0.154	S	C	.	.	H	α-helix	trans	-67	-33.2	-177.8	-73.7	-18.3	0	0	0	112.9	K91 G250 T256	K91-D252 PolarHBondContact NZ-O 2.87Å; G250-D252 PolarHBondContact O-N 2.85Å; D252-T256 WeakPolarHBondContact O-CB 3.48Å; D252-T256 PolarHBondContact O-N 3.3Å; D252-T256 VanDerWaalsContact O-N 3.14Å; D252-T256 PolarHBondContact O-OG1 2.66Å
253	Y	97.8	Very high	96.7	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.027	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-50.8	170.3	174.5	-86.8	0	0	0	110.3	I84 H245 Y248 G250 K251 T256 R257 R412 E415	I84-Y253 HydrophobicContact CD1-CE2 3.99Å; I84-Y253 HydrophobicContact CG2-CD2 3.65Å; I84-Y253 HydrophobicContact CG2-CE2 4Å; I84-Y253 HydrophobicContact CG2-CG 4.36Å; H245-Y253 AromaticContact CE1-CD2 3.96Å; H245-Y253 AromaticContact CE1-CE2 3.56Å; H245-Y253 AromaticContact ND1-CD2 3.67Å; H245-Y253 AromaticContact ND1-CE2 3.75Å; Y248-Y253 HydrophobicContact CD2-CD2 4.11Å; Y248-Y253 AromaticContact CD2-CE2 3.69Å; Y248-Y253 HydrophobicContact CD2-CE2 3.69Å; Y248-Y253 HydrophobicContact CE2-CD2 4.38Å; Y248-Y253 AromaticContact CE2-CE2 3.52Å; Y248-Y253 HydrophobicContact CE2-CE2 3.52Å; Y248-Y253 AromaticContact CE2-CZ 3.71Å; G250-Y253 WeakPolarHBondContact O-CB 3.11Å; G250-Y253 PolarHBondContact O-N 3.26Å; K251-Y253 VanDerWaalsContact C-N 3.32Å; K251-Y253 PolarHBondContact O-N 3.01Å; Y253-T256 PolarHBondContact O-N 3Å; Y253-R257 HydrophobicContact CE1-CB 4.37Å; Y253-R257 WeakPolarHBondContact O-CB 3.4Å; Y253-R257 PolarHBondContact O-N 3.17Å; Y253-R412 PolarHBondContact OH-NH2 3.2Å; Y253-E415 PolarHBondContact OH-OE1 3.49Å
254	W	97.9	Very high	96.7	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-68.5	-38	-177.9	-79.7	113	0	0	0	113.4	A249 G250 K251 T256 R257 R258 E415 E418 I419 W445 K446 I447 V448	A249-W254 VanDerWaalsContact O-CD1 3.23Å; A249-W254 PolarHBondContact O-NE1 3.07Å; G250-W254 VanDerWaalsContact O-CD1 3.26Å; G250-W254 PolarHBondContact O-N 3.13Å; K251-W254 PolarHBondContact O-N 3.44Å; K251-W254 VanDerWaalsContact O-N 3.15Å; W254-T256 VanDerWaalsContact C-N 3.32Å; W254-T256 PolarHBondContact O-N 2.75Å; W254-R257 HydrophobicContact CE3-CB 4.33Å; W254-R257 HydrophobicContact CE3-CG 4.24Å; W254-R257 HydrophobicContact CZ3-CG 4.19Å; W254-R257 PolarHBondContact O-N 3.49Å; W254-R258 VanDerWaalsContact O-CB 3.22Å; W254-R258 WeakPolarHBondContact O-CB 3.31Å; W254-R258 WeakPolarHBondContact O-CD 3.39Å; W254-R258 WeakPolarHBondContact O-CG 3.09Å; W254-R258 PolarHBondContact O-N 2.77Å; W254-E415 HydrophobicContact CH2-CB 4.19Å; W254-E415 HydrophobicContact CH2-CG 4.01Å; W254-E415 HydrophobicContact CZ3-CB 4.17Å; W254-E415 HydrophobicContact CZ3-CG 4.34Å; W254-E418 HydrophobicContact CH2-CB 3.99Å; W254-E418 HydrophobicContact CH2-CG 3.92Å; W254-E418 HydrophobicContact CZ2-CG 4.33Å; W254-E418 HydrophobicContact CZ3-CB 4.46Å; W254-I419 HydrophobicContact CZ3-CG1 4.17Å; W254-W445 VanDerWaalsContact CZ2-O 3.3Å; W254-W445 WeakPolarHBondContact CZ2-O 3.46Å; W254-K446 PolarHBondContact NE1-O 3.5Å; W254-I447 HydrophobicContact CB-CG1 4.31Å; W254-I447 HydrophobicContact CD2-CB 4.01Å; W254-I447 HydrophobicContact CD2-CD1 4.33Å; W254-I447 HydrophobicContact CD2-CG1 3.73Å; W254-I447 VanDerWaalsContact CE2-CA 3.47Å; W254-I447 HydrophobicContact CE3-CB 4.17Å; W254-I447 HydrophobicContact CE3-CD1 3.84Å; W254-I447 HydrophobicContact CE3-CG1 3.77Å; W254-I447 HydrophobicContact CG-CB 4.48Å; W254-I447 HydrophobicContact CG-CG1 3.96Å; W254-I447 HydrophobicContact CH2-CB 4.42Å; W254-I447 HydrophobicContact CZ2-CB 4.28Å; W254-I447 HydrophobicContact CZ3-CB 4.37Å; W254-I447 HydrophobicContact CZ3-CD1 4.21Å; W254-I447 HydrophobicContact CZ3-CG1 4.35Å; W254-V448 WeakPolarHBondContact CB-O 3.39Å; W254-V448 VanDerWaalsContact CD1-N 3.33Å
255	D	97.8	Very high	96.6	Very high	19 Å²	19	35.2 Å²	35.2	10%	0.102	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-45	173.4	-76.4	-25	0	0	0	111	K251 R258 S259 W293	K251-D255 IonicContact NZ-OD2 3.04Å; K251-D255 PolarHBondContact NZ-OD2 2.82Å; K251-D255 PolarHBondContact O-N 2.92Å; D255-R258 PolarHBondContact O-N 3.3Å; D255-R258 IonicContact OD1-NH1 3.87Å; D255-R258 PolarHBondContact OD1-NH1 3.15Å; D255-R258 VanDerWaalsContact OD1-NH1 3.13Å; D255-S259 WeakPolarHBondContact O-CB 3.37Å; D255-S259 PolarHBondContact O-N 2.96Å; D255-W293 HydrophobicContact CB-CH2 4.25Å; D255-W293 HydrophobicContact CB-CZ3 4.35Å
256	T	98.3	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-44.5	175.7	-55.5	0	0	0	0	111.7	Y83 I84 A87 K91 N136 D252 Y253 W254 R258 S259 M260	Y83-T256 HydrophobicContact CD1-CG2 4.34Å; Y83-T256 HydrophobicContact CE1-CG2 3.86Å; I84-T256 HydrophobicContact CB-CG2 4.14Å; I84-T256 HydrophobicContact CG1-CG2 4.03Å; I84-T256 HydrophobicContact CG2-CG2 4.03Å; A87-T256 HydrophobicContact CB-CG2 3.59Å; K91-T256 PolarHBondContact NZ-OG1 3.24Å; K91-T256 VanDerWaalsContact NZ-OG1 3.08Å; N136-T256 VanDerWaalsContact ND2-CA 3.35Å; N136-T256 WeakPolarHBondContact ND2-CA 3.35Å; N136-T256 WeakPolarHBondContact ND2-CB 3.39Å; N136-T256 PolarHBondContact ND2-OG1 3.47Å; D252-T256 WeakPolarHBondContact O-CB 3.48Å; D252-T256 PolarHBondContact O-N 3.3Å; D252-T256 VanDerWaalsContact O-N 3.14Å; D252-T256 PolarHBondContact O-OG1 2.66Å; Y253-T256 PolarHBondContact O-N 3Å; W254-T256 VanDerWaalsContact C-N 3.32Å; W254-T256 PolarHBondContact O-N 2.75Å; T256-R258 PolarHBondContact O-N 3.45Å; T256-S259 WeakPolarHBondContact O-CB 3.36Å; T256-S259 PolarHBondContact O-N 3.3Å; T256-S259 PolarHBondContact O-OG 3.39Å; T256-M260 WeakPolarHBondContact O-CG 3.37Å; T256-M260 PolarHBondContact O-N 3.27Å
257	R	98.3	Very high	96.9	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-38	178.4	177.1	54.4	-173.4	86.5	1.5	112.8	I84 Y253 W254 S259 M260 R412 E415 E416 I419	I84-R257 HydrophobicContact CD1-CB 4.09Å; Y253-R257 HydrophobicContact CE1-CB 4.37Å; Y253-R257 WeakPolarHBondContact O-CB 3.4Å; Y253-R257 PolarHBondContact O-N 3.17Å; W254-R257 HydrophobicContact CE3-CB 4.33Å; W254-R257 HydrophobicContact CE3-CG 4.24Å; W254-R257 HydrophobicContact CZ3-CG 4.19Å; W254-R257 PolarHBondContact O-N 3.49Å; R257-S259 VanDerWaalsContact C-N 3.33Å; R257-M260 PolarHBondContact O-N 2.54Å; R257-R412 PolarHBondContact NH2-O 2.83Å; R257-E415 VanDerWaalsContact CD-OE2 3.3Å; R257-E415 WeakPolarHBondContact CD-OE2 3.18Å; R257-E415 HydrophobicContact CG-CB 4.3Å; R257-E415 IonicContact CZ-OE2 3.62Å; R257-E415 IonicContact NE-OE2 3.98Å; R257-E415 PolarHBondContact NE-OE2 3.12Å; R257-E415 IonicContact NH2-OE2 3.32Å; R257-E416 IonicContact CZ-OE2 2.71Å; R257-E416 VanDerWaalsContact CZ-OE2 3.3Å; R257-E416 IonicContact NH1-OE2 3.04Å; R257-E416 PolarHBondContact NH1-OE2 2.68Å; R257-E416 IonicContact NH2-OE2 3.59Å; R257-E416 PolarHBondContact NH2-OE2 3.41Å; R257-I419 HydrophobicContact CG-CD1 4.31Å
258	R	97.8	Very high	97.1	Very high	9 Å²	9	30.8 Å²	30.8	3%	0.034	15%	0.151	C	C	.	.	H	α-helix	trans	-70.1	-29.7	176.2	-71.7	164.1	71.2	-136.9	0	112.4	W254 D255 T256 M260 V261 W293 T294 I296 I419 I447	W254-R258 VanDerWaalsContact O-CB 3.22Å; W254-R258 WeakPolarHBondContact O-CB 3.31Å; W254-R258 WeakPolarHBondContact O-CD 3.39Å; W254-R258 WeakPolarHBondContact O-CG 3.09Å; W254-R258 PolarHBondContact O-N 2.77Å; D255-R258 PolarHBondContact O-N 3.3Å; D255-R258 IonicContact OD1-NH1 3.87Å; D255-R258 PolarHBondContact OD1-NH1 3.15Å; D255-R258 VanDerWaalsContact OD1-NH1 3.13Å; T256-R258 PolarHBondContact O-N 3.45Å; R258-M260 PolarHBondContact O-N 2.96Å; R258-V261 WeakPolarHBondContact O-CG2 3.39Å; R258-W293 HydrophobicContact CB-CD2 4.38Å; R258-W293 HydrophobicContact CB-CE3 3.6Å; R258-W293 HydrophobicContact CB-CZ3 4.05Å; R258-W293 PolarHBondContact NH2-O 3.16Å; R258-T294 PolarHBondContact NH2-O 3.01Å; R258-I296 PolarHBondContact NH2-O 2.93Å; R258-I419 HydrophobicContact CG-CD1 3.99Å; R258-I419 HydrophobicContact CG-CG1 3.91Å; R258-I447 HydrophobicContact CG-CD1 4.2Å
259	S	98.1	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.2	-21.4	175.4	79.5	0	0	0	0	113.5	S132 L133 D255 T256 R257 V261	S132-S259 CarbonylContact C-O 3.6Å; S132-S259 VanDerWaalsContact CB-O 3.25Å; S132-S259 WeakPolarHBondContact CB-O 3.37Å; S132-S259 WeakPolarHBondContact O-CB 3.47Å; L133-S259 PolarHBondContact N-O 2.78Å; D255-S259 WeakPolarHBondContact O-CB 3.37Å; D255-S259 PolarHBondContact O-N 2.96Å; T256-S259 WeakPolarHBondContact O-CB 3.36Å; T256-S259 PolarHBondContact O-N 3.3Å; T256-S259 PolarHBondContact O-OG 3.39Å; R257-S259 VanDerWaalsContact C-N 3.33Å; S259-V261 PolarHBondContact O-N 2.96Å
260	M	98.4	Very high	97.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.143	C	C	.	.			trans	-77.5	57.8	177.5	-56.5	-176.8	78.7	0	0	112.2	R80 Y83 I84 W124 F128 L133 T256 R257 R258	R80-M260 HydrophobicContact CB-CE 3.78Å; R80-M260 HydrophobicContact CG-CE 3.95Å; Y83-M260 HydrophobicContact CD1-CE 3.65Å; Y83-M260 HydrophobicContact CD1-CG 3.99Å; Y83-M260 HydrophobicContact CD1-SD 3.58Å; Y83-M260 VanDerWaalsContact CD1-SD 3.58Å; Y83-M260 HydrophobicContact CE1-CE 4.28Å; Y83-M260 HydrophobicContact CE1-CG 3.78Å; Y83-M260 HydrophobicContact CE1-SD 4.02Å; Y83-M260 HydrophobicContact CG-CE 4.23Å; I84-M260 HydrophobicContact CD1-SD 4.34Å; I84-M260 HydrophobicContact CG1-SD 4.02Å; W124-M260 HydrophobicContact CZ3-CE 4.06Å; F128-M260 HydrophobicContact CD1-CB 4.25Å; F128-M260 HydrophobicContact CE1-CB 4.31Å; F128-M260 HydrophobicContact CE1-CE 4.32Å; F128-M260 HydrophobicContact CZ-CE 4.32Å; L133-M260 HydrophobicContact CD2-CB 4.32Å; L133-M260 HydrophobicContact CD2-CG 3.92Å; T256-M260 WeakPolarHBondContact O-CG 3.37Å; T256-M260 PolarHBondContact O-N 3.27Å; R257-M260 PolarHBondContact O-N 2.54Å; R258-M260 PolarHBondContact O-N 2.96Å
261	V	98	Very high	97.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-73	129.5	176.7	178.5	0	0	0	0	109.4	F128 S129 R258 S259 Y289 W293	F128-V261 CarbonylContact C-O 3.59Å; F128-V261 WeakPolarHBondContact CA-O 3.29Å; S129-V261 PolarHBondContact N-O 3.01Å; R258-V261 WeakPolarHBondContact O-CG2 3.39Å; S259-V261 PolarHBondContact O-N 2.96Å; V261-Y289 HydrophobicContact CG1-CE1 4.26Å; V261-Y289 WeakPolarHBondContact CG1-OH 3.33Å; V261-Y289 VanDerWaalsContact CG2-OH 3.23Å; V261-Y289 WeakPolarHBondContact CG2-OH 3.01Å; V261-W293 HydrophobicContact CG2-CB 3.88Å; V261-W293 HydrophobicContact CG2-CG 4.4Å
262	F	98.4	Very high	97.8	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-59.9	147.6	175.4	-60.8	-45.4	0	0	0	112	F127 F128 R267 I389 Q392 W393 E416	F127-F262 WeakPolarHBondContact O-CA 3.24Å; F128-F262 HydrophobicContact CD1-CD1 4.06Å; F128-F262 AromaticContact CE1-CD1 3.63Å; F128-F262 HydrophobicContact CE1-CD1 3.63Å; F128-F262 AromaticContact CE1-CE1 3.76Å; F128-F262 HydrophobicContact CE1-CE1 3.76Å; F128-F262 HydrophobicContact CZ-CD1 4.41Å; F128-F262 HydrophobicContact CZ-CE1 4.34Å; F262-R267 HydrophobicContact CB-CG 4.01Å; F262-R267 PolarHBondContact O-NE 3.27Å; F262-I389 HydrophobicContact CB-CG2 3.88Å; F262-I389 HydrophobicContact CD1-CB 4.3Å; F262-I389 HydrophobicContact CD1-CD1 3.8Å; F262-I389 HydrophobicContact CD1-CG1 3.9Å; F262-I389 HydrophobicContact CD1-CG2 3.46Å; F262-I389 VanDerWaalsContact CD1-CG2 3.46Å; F262-I389 HydrophobicContact CD2-CG2 3.71Å; F262-I389 HydrophobicContact CE1-CB 4.29Å; F262-I389 HydrophobicContact CE1-CD1 4.01Å; F262-I389 HydrophobicContact CE1-CG1 3.7Å; F262-I389 HydrophobicContact CE1-CG2 3.8Å; F262-I389 HydrophobicContact CE2-CG2 4.03Å; F262-I389 HydrophobicContact CG-CG2 3.41Å; F262-I389 VanDerWaalsContact CG-CG2 3.41Å; F262-I389 HydrophobicContact CZ-CG1 4.35Å; F262-I389 HydrophobicContact CZ-CG2 4.06Å; F262-Q392 HydrophobicContact CZ-CB 4.47Å; F262-W393 AromaticContact CD2-CE3 3.73Å; F262-W393 HydrophobicContact CD2-CE3 3.73Å; F262-W393 HydrophobicContact CD2-CZ3 4.34Å; F262-W393 HydrophobicContact CE2-CE3 4.12Å; F262-E416 HydrophobicContact CE2-CG 4.49Å
263	S	97.6	Very high	97.9	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.042	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-56	145.2	177.3	67.6	0	0	0	0	110.5	E126 F127 H265 L266 R267	E126-S263 WeakPolarHBondContact O-CB 3.3Å; E126-S263 PolarHBondContact O-OG 3.44Å; F127-S263 PolarHBondContact O-N 3.31Å; S263-H265 VanDerWaalsContact C-N 3.28Å; S263-H265 PolarHBondContact O-N 3.03Å; S263-H265 PolarHBondContact OG-CE1 3.44Å; S263-H265 PolarHBondContact OG-ND1 3.18Å; S263-L266 PolarHBondContact O-N 2.97Å; S263-L266 VanDerWaalsContact OG-CD1 3.24Å; S263-L266 WeakPolarHBondContact OG-CD1 3.29Å; S263-L266 VanDerWaalsContact OG-CG 3.22Å; S263-L266 WeakPolarHBondContact OG-CG 3.43Å; S263-R267 PolarHBondContact O-N 3.18Å
264	K	96.7	Very high	98	Very high	125 Å²	125	27.5 Å²	27.5	54%	0.543	13%	0.132	S	C	.	.	H	α-helix	trans	-60.2	-38.5	-170	-174.9	175.1	-179.1	176.6	0	112.4	L266 R267 L268	K264-L266 PolarHBondContact O-N 2.91Å; K264-R267 PolarHBondContact O-N 3.29Å; K264-L268 HydrophobicContact CG-CD1 4.12Å; K264-L268 HydrophobicContact CG-CG 4.36Å; K264-L268 VanDerWaalsContact O-CG 3.3Å; K264-L268 WeakPolarHBondContact O-CG 3.37Å; K264-L268 PolarHBondContact O-N 3.4Å
265	H	96.9	Very high	98	Very high	70 Å²	70	30 Å²	30	32%	0.324	15%	0.152	S	C	.	.	H	α-helix	trans	-65.4	-37.9	-178.7	71.4	-96	0	0	0	112	E126 S263 L268 L269	E126-H265 PolarHBondContact O-CE1 3.09Å; S263-H265 VanDerWaalsContact C-N 3.28Å; S263-H265 PolarHBondContact O-N 3.03Å; S263-H265 PolarHBondContact OG-CE1 3.44Å; S263-H265 PolarHBondContact OG-ND1 3.18Å; H265-L268 PolarHBondContact O-N 3.01Å; H265-L269 WeakPolarHBondContact O-CG 3.38Å; H265-L269 PolarHBondContact O-N 2.83Å
266	L	98.3	Very high	98	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-41.5	176.3	-62.1	177.1	0	0	0	112.1	F127 S263 K264 L269 G270 L382 I389 V390	F127-L266 HydrophobicContact CD1-CD1 4.32Å; S263-L266 PolarHBondContact O-N 2.97Å; S263-L266 VanDerWaalsContact OG-CD1 3.24Å; S263-L266 WeakPolarHBondContact OG-CD1 3.29Å; S263-L266 VanDerWaalsContact OG-CG 3.22Å; S263-L266 WeakPolarHBondContact OG-CG 3.43Å; K264-L266 PolarHBondContact O-N 2.91Å; L266-L269 PolarHBondContact O-N 3.48Å; L266-G270 PolarHBondContact O-N 3.28Å; L266-L382 HydrophobicContact CD2-CD2 3.57Å; L266-I389 HydrophobicContact CB-CG2 3.99Å; L266-I389 HydrophobicContact CD1-CB 3.97Å; L266-I389 HydrophobicContact CD1-CD1 3.85Å; L266-I389 HydrophobicContact CD1-CG2 3.69Å; L266-I389 HydrophobicContact CG-CG2 4.43Å; L266-V390 HydrophobicContact CB-CG2 4.38Å; L266-V390 HydrophobicContact CD2-CG2 4.15Å
267	R	97.6	Very high	98	Very high	15 Å²	15	40.2 Å²	40.2	6%	0.057	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-47.8	174.7	-68.7	-175.8	-75.1	127	-9.8	111.2	F262 S263 K264 L269 G270 D271 E291 W393	F262-R267 HydrophobicContact CB-CG 4.01Å; F262-R267 PolarHBondContact O-NE 3.27Å; S263-R267 PolarHBondContact O-N 3.18Å; K264-R267 PolarHBondContact O-N 3.29Å; R267-L269 VanDerWaalsContact C-N 3.33Å; R267-L269 PolarHBondContact O-N 3.06Å; R267-G270 CarbonylContact O-C 3.36Å; R267-G270 PolarHBondContact O-N 3.26Å; R267-G270 VanDerWaalsContact O-N 3.14Å; R267-D271 WeakPolarHBondContact O-CB 3.36Å; R267-D271 PolarHBondContact O-N 3.37Å; R267-E291 IonicContact CZ-OE1 3.26Å; R267-E291 IonicContact CZ-OE2 2.91Å; R267-E291 IonicContact NH1-OE1 3.3Å; R267-E291 PolarHBondContact NH1-OE1 2.97Å; R267-E291 IonicContact NH1-OE2 2.78Å; R267-E291 IonicContact NH2-OE1 2.72Å; R267-E291 PolarHBondContact NH2-OE1 3.42Å; R267-E291 IonicContact NH2-OE2 3.45Å; R267-E291 PolarHBondContact NH2-OE2 3.19Å; R267-W393 HydrophobicContact CB-CZ2 4.17Å; R267-W393 HydrophobicContact CG-CD2 4.18Å; R267-W393 HydrophobicContact CG-CE3 4.25Å; R267-W393 HydrophobicContact CG-CH2 4.07Å; R267-W393 HydrophobicContact CG-CZ2 4Å; R267-W393 HydrophobicContact CG-CZ3 4.19Å
268	L	97.4	Very high	98	Very high	98 Å²	98	40.2 Å²	40.2	51%	0.513	19%	0.194	S	C	.	.	H	α-helix	trans	-59.6	-41.1	178.7	-70.9	174.5	0	0	0	112.6	K264 H265 D271 E272	K264-L268 HydrophobicContact CG-CD1 4.12Å; K264-L268 HydrophobicContact CG-CG 4.36Å; K264-L268 VanDerWaalsContact O-CG 3.3Å; K264-L268 WeakPolarHBondContact O-CG 3.37Å; K264-L268 PolarHBondContact O-N 3.4Å; H265-L268 PolarHBondContact O-N 3.01Å; L268-D271 PolarHBondContact O-N 3.04Å; L268-E272 WeakPolarHBondContact O-CB 3.44Å; L268-E272 PolarHBondContact O-N 3.37Å
269	L	97.9	Very high	97.9	Very high	49 Å²	49	43.9 Å²	43.9	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-63.3	-43.7	175	-74.1	169.4	0	0	0	111.9	H265 L266 R267 D271 E272 F273 L382 V390	H265-L269 WeakPolarHBondContact O-CG 3.38Å; H265-L269 PolarHBondContact O-N 2.83Å; L266-L269 PolarHBondContact O-N 3.48Å; R267-L269 VanDerWaalsContact C-N 3.33Å; R267-L269 PolarHBondContact O-N 3.06Å; L269-D271 VanDerWaalsContact C-N 3.34Å; L269-E272 PolarHBondContact O-N 2.86Å; L269-F273 WeakPolarHBondContact O-CB 3.42Å; L269-F273 PolarHBondContact O-N 3.33Å; L269-L382 HydrophobicContact CD1-CD1 4.06Å; L269-L382 HydrophobicContact CD1-CD2 3.45Å; L269-L382 VanDerWaalsContact CD1-CD2 3.45Å; L269-L382 HydrophobicContact CD1-CG 4.35Å; L269-V390 HydrophobicContact CB-CG2 4.39Å
270	G	98.1	Very high	98	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-38.3	175	0	0	0	0	0	112.9	L266 R267 F273 R274	L266-G270 PolarHBondContact O-N 3.28Å; R267-G270 CarbonylContact O-C 3.36Å; R267-G270 PolarHBondContact O-N 3.26Å; R267-G270 VanDerWaalsContact O-N 3.14Å; G270-F273 PolarHBondContact O-N 3.26Å; G270-R274 WeakPolarHBondContact O-CB 3.34Å; G270-R274 WeakPolarHBondContact O-CG 3.29Å; G270-R274 PolarHBondContact O-N 3.37Å
271	D	98.3	Very high	97.9	Very high	41 Å²	41	45.8 Å²	45.8	22%	0.219	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-40.4	176.9	-65	-23.3	0	0	0	112	R267 L268 L269 F273 R274 A275 W393	R267-D271 WeakPolarHBondContact O-CB 3.36Å; R267-D271 PolarHBondContact O-N 3.37Å; L268-D271 PolarHBondContact O-N 3.04Å; L269-D271 VanDerWaalsContact C-N 3.34Å; D271-F273 VanDerWaalsContact C-N 3.34Å; D271-R274 PolarHBondContact O-N 3.2Å; D271-R274 IonicContact OD1-CZ 3.85Å; D271-R274 IonicContact OD1-NH1 3.82Å; D271-R274 PolarHBondContact OD1-NH1 3.35Å; D271-A275 WeakPolarHBondContact O-CB 3.27Å; D271-A275 PolarHBondContact O-N 3.38Å; D271-W393 PolarHBondContact OD1-NE1 2.75Å
272	E	98.3	Very high	97.9	Very high	120 Å²	120	46.9 Å²	46.9	56%	0.561	23%	0.231	S	C	*	.	H	α-helix	trans	-60.3	-46.6	172.8	-175.1	-177.5	168.2	0	0	110.7	L268 L269 A275 K276	L268-E272 WeakPolarHBondContact O-CB 3.44Å; L268-E272 PolarHBondContact O-N 3.37Å; L269-E272 PolarHBondContact O-N 2.86Å; E272-A275 PolarHBondContact O-N 3.25Å; E272-K276 VanDerWaalsContact O-CB 3.22Å; E272-K276 WeakPolarHBondContact O-CB 3.4Å; E272-K276 PolarHBondContact O-N 3.06Å
273	F	98.5	Very high	97.8	Very high	17 Å²	17	53.7 Å²	53.7	8%	0.075	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-46.4	177.2	-173.5	-84	0	0	0	111.8	L269 G270 D271 A275 K276 Y277 L278 F349 T370 R371 F372 I394	L269-F273 WeakPolarHBondContact O-CB 3.42Å; L269-F273 PolarHBondContact O-N 3.33Å; G270-F273 PolarHBondContact O-N 3.26Å; D271-F273 VanDerWaalsContact C-N 3.34Å; F273-A275 PolarHBondContact O-N 3.37Å; F273-K276 PolarHBondContact O-N 2.84Å; F273-Y277 HydrophobicContact CB-CD2 4.5Å; F273-Y277 HydrophobicContact CD1-CD2 4.27Å; F273-Y277 AromaticContact CD2-CD2 3.42Å; F273-Y277 HydrophobicContact CD2-CD2 3.42Å; F273-Y277 VanDerWaalsContact CD2-CD2 3.42Å; F273-Y277 AromaticContact CD2-CE2 3.72Å; F273-Y277 HydrophobicContact CD2-CE2 3.72Å; F273-Y277 HydrophobicContact CD2-CG 4.46Å; F273-Y277 HydrophobicContact CE1-CD2 4.37Å; F273-Y277 AromaticContact CE2-CD2 3.56Å; F273-Y277 HydrophobicContact CE2-CD2 3.56Å; F273-Y277 AromaticContact CE2-CE2 3.93Å; F273-Y277 HydrophobicContact CE2-CE2 3.93Å; F273-Y277 HydrophobicContact CE2-CG 4.25Å; F273-Y277 AromaticContact CG-CD2 3.83Å; F273-Y277 HydrophobicContact CG-CD2 3.83Å; F273-Y277 HydrophobicContact CG-CE2 4.46Å; F273-Y277 HydrophobicContact CZ-CD2 4.05Å; F273-Y277 HydrophobicContact CZ-CG 4.38Å; F273-Y277 WeakPolarHBondContact O-CD2 3.33Å; F273-Y277 PolarHBondContact O-N 2.92Å; F273-L278 HydrophobicContact CD1-CD1 4.14Å; F273-L278 HydrophobicContact CD1-CG 4.47Å; F273-L278 HydrophobicContact CE1-CD1 4.02Å; F273-L278 HydrophobicContact CE1-CG 4.23Å; F273-F349 HydrophobicContact CD1-CE2 4.34Å; F273-F349 AromaticContact CE1-CD2 3.66Å; F273-F349 HydrophobicContact CE1-CD2 3.66Å; F273-F349 AromaticContact CE1-CE2 3.54Å; F273-F349 HydrophobicContact CE1-CE2 3.54Å; F273-F349 HydrophobicContact CZ-CD2 4.19Å; F273-F349 AromaticContact CZ-CE2 3.88Å; F273-F349 HydrophobicContact CZ-CE2 3.88Å; F273-T370 HydrophobicContact CE1-CG2 4.04Å; F273-T370 HydrophobicContact CZ-CG2 3.74Å; F273-R371 WeakPolarHBondContact CE2-O 3.44Å; F273-R371 VanDerWaalsContact CZ-O 3.29Å; F273-R371 WeakPolarHBondContact CZ-O 3.42Å; F273-F372 AromaticContact CD2-CD2 3.64Å; F273-F372 HydrophobicContact CD2-CD2 3.64Å; F273-F372 HydrophobicContact CD2-CE2 4.44Å; F273-F372 HydrophobicContact CE2-CB 4.21Å; F273-F372 HydrophobicContact CE2-CD2 4.02Å; F273-F372 HydrophobicContact CG-CD2 4.24Å; F273-F372 HydrophobicContact CZ-CB 4.42Å; F273-I394 HydrophobicContact CB-CD1 4.1Å; F273-I394 HydrophobicContact CD1-CD1 3.5Å; F273-I394 HydrophobicContact CD1-CG1 4.21Å; F273-I394 HydrophobicContact CD1-CG2 4.39Å; F273-I394 HydrophobicContact CE1-CD1 4.07Å; F273-I394 HydrophobicContact CG-CD1 3.85Å
274	R	98.6	Very high	97.7	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	29%	0.285	C	S	.	.	I	π-helix	trans	-57	-47.8	176.3	-78.9	167.6	59.8	-159.2	4.6	111.7	G270 D271 L278 N279 S280 D282 D285 I394 H397	G270-R274 WeakPolarHBondContact O-CB 3.34Å; G270-R274 WeakPolarHBondContact O-CG 3.29Å; G270-R274 PolarHBondContact O-N 3.37Å; D271-R274 PolarHBondContact O-N 3.2Å; D271-R274 IonicContact OD1-CZ 3.85Å; D271-R274 IonicContact OD1-NH1 3.82Å; D271-R274 PolarHBondContact OD1-NH1 3.35Å; R274-L278 HydrophobicContact CG-CD1 4.48Å; R274-L278 CarbonylContact O-C 3.59Å; R274-L278 WeakPolarHBondContact O-CA 3.44Å; R274-L278 WeakPolarHBondContact O-CB 3.46Å; R274-L278 PolarHBondContact O-N 3.16Å; R274-N279 PolarHBondContact O-N 3.27Å; R274-N279 VanDerWaalsContact O-N 3.07Å; R274-S280 CarbonylContact C-O 3.58Å; R274-S280 VanDerWaalsContact C-O 3.31Å; R274-S280 PolarHBondContact NE-OG 3.22Å; R274-S280 PolarHBondContact NH2-OG 2.89Å; R274-S280 PolarHBondContact O-N 3.21Å; R274-D282 IonicContact CZ-OD1 3.54Å; R274-D282 IonicContact NH1-OD1 3.8Å; R274-D282 PolarHBondContact NH1-OD1 2.85Å; R274-D282 IonicContact NH2-OD1 3.42Å; R274-D282 PolarHBondContact NH2-OD1 3.12Å; R274-D285 IonicContact NH2-OD2 2.95Å; R274-D285 PolarHBondContact NH2-OD2 3.41Å; R274-D285 VanDerWaalsContact NH2-OD2 3.16Å; R274-I394 HydrophobicContact CG-CG1 4.34Å; R274-I394 HydrophobicContact CG-CG2 4.37Å; R274-H397 PolarHBondContact NH1-CD2 3Å; R274-H397 PolarHBondContact NH2-CD2 2.71Å; R274-H397 VanDerWaalsContact NH2-CD2 3.32Å
275	A	98.3	Very high	97.8	Very high	52 Å²	52	52.7 Å²	52.7	43%	0.43	26%	0.26	S	S	.	.	I	π-helix	trans	-63.7	-47.8	179.9	0	0	0	0	0	111.2	D271 E272 F273 S280 T281	D271-A275 WeakPolarHBondContact O-CB 3.27Å; D271-A275 PolarHBondContact O-N 3.38Å; E272-A275 PolarHBondContact O-N 3.25Å; F273-A275 PolarHBondContact O-N 3.37Å; A275-S280 WeakPolarHBondContact CA-O 3.43Å; A275-S280 PolarHBondContact N-O 3.05Å; A275-T281 HydrophobicContact CB-CG2 4.4Å
276	K	97.9	Very high	97.8	Very high	131 Å²	131	55.1 Å²	55.1	57%	0.57	27%	0.271	S	S	*	.	I	π-helix	trans	-71.7	-44.7	-173.6	-173.9	172.9	177.5	-168.5	0	113.6	E272 F273	E272-K276 VanDerWaalsContact O-CB 3.22Å; E272-K276 WeakPolarHBondContact O-CB 3.4Å; E272-K276 PolarHBondContact O-N 3.06Å; F273-K276 PolarHBondContact O-N 2.84Å
277	Y	98	Very high	97.7	Very high	104 Å²	104	55.1 Å²	55.1	41%	0.408	27%	0.272	S	S	.	.	I	π-helix	trans	-109.2	-22.3	-169.6	-58.5	-74.9	0	0	0	113.7	F273 R347	F273-Y277 HydrophobicContact CB-CD2 4.5Å; F273-Y277 HydrophobicContact CD1-CD2 4.27Å; F273-Y277 AromaticContact CD2-CD2 3.42Å; F273-Y277 HydrophobicContact CD2-CD2 3.42Å; F273-Y277 VanDerWaalsContact CD2-CD2 3.42Å; F273-Y277 AromaticContact CD2-CE2 3.72Å; F273-Y277 HydrophobicContact CD2-CE2 3.72Å; F273-Y277 HydrophobicContact CD2-CG 4.46Å; F273-Y277 HydrophobicContact CE1-CD2 4.37Å; F273-Y277 AromaticContact CE2-CD2 3.56Å; F273-Y277 HydrophobicContact CE2-CD2 3.56Å; F273-Y277 AromaticContact CE2-CE2 3.93Å; F273-Y277 HydrophobicContact CE2-CE2 3.93Å; F273-Y277 HydrophobicContact CE2-CG 4.25Å; F273-Y277 AromaticContact CG-CD2 3.83Å; F273-Y277 HydrophobicContact CG-CD2 3.83Å; F273-Y277 HydrophobicContact CG-CE2 4.46Å; F273-Y277 HydrophobicContact CZ-CD2 4.05Å; F273-Y277 HydrophobicContact CZ-CG 4.38Å; F273-Y277 WeakPolarHBondContact O-CD2 3.33Å; F273-Y277 PolarHBondContact O-N 2.92Å; Y277-R347 VanDerWaalsContact C-NH1 3.34Å; Y277-R347 PolarHBondContact O-NH1 3.21Å
278	L	98	Very high	97.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-116.3	-2.2	-171.6	-56.4	176.3	0	0	0	114.1	F273 R274 S280 Y308 R347 F349 T370 I394	F273-L278 HydrophobicContact CD1-CD1 4.14Å; F273-L278 HydrophobicContact CD1-CG 4.47Å; F273-L278 HydrophobicContact CE1-CD1 4.02Å; F273-L278 HydrophobicContact CE1-CG 4.23Å; R274-L278 HydrophobicContact CG-CD1 4.48Å; R274-L278 CarbonylContact O-C 3.59Å; R274-L278 WeakPolarHBondContact O-CA 3.44Å; R274-L278 WeakPolarHBondContact O-CB 3.46Å; R274-L278 PolarHBondContact O-N 3.16Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 3.42Å; L278-Y308 HydrophobicContact CB-CD1 3.77Å; L278-Y308 HydrophobicContact CB-CE1 4.01Å; L278-Y308 HydrophobicContact CB-CG 4.24Å; L278-Y308 HydrophobicContact CD1-CD1 4.11Å; L278-Y308 HydrophobicContact CD1-CD2 3.95Å; L278-Y308 HydrophobicContact CD1-CE1 3.91Å; L278-Y308 HydrophobicContact CD1-CE2 3.73Å; L278-Y308 HydrophobicContact CD1-CG 4.13Å; L278-Y308 HydrophobicContact CD2-CD2 4.44Å; L278-Y308 HydrophobicContact CD2-CG 4.22Å; L278-Y308 HydrophobicContact CG-CD1 4.38Å; L278-Y308 HydrophobicContact CG-CG 4.44Å; L278-R347 VanDerWaalsContact C-NH1 3.28Å; L278-F349 HydrophobicContact CD1-CB 4.17Å; L278-F349 HydrophobicContact CD1-CD2 4.27Å; L278-F349 HydrophobicContact CD1-CG 4.4Å; L278-F349 HydrophobicContact CD2-CB 4.39Å; L278-T370 HydrophobicContact CD2-CG2 4.04Å; L278-I394 HydrophobicContact CD1-CG2 3.48Å; L278-I394 VanDerWaalsContact CD1-CG2 3.48Å
279	N	97.5	Very high	96.5	Very high	86 Å²	86	56.4 Å²	56.4	46%	0.46	28%	0.281	S	S	.	.			trans	52.4	50.1	-177.3	-171.5	59	0	0	0	111.2	R274 P307	R274-N279 PolarHBondContact O-N 3.27Å; R274-N279 VanDerWaalsContact O-N 3.07Å; N279-P307 HydrophobicContact CB-CG 4.33Å; N279-P307 WeakPolarHBondContact O-CD 3.29Å; N279-P307 VanDerWaalsContact O-CG 3.31Å; N279-P307 WeakPolarHBondContact O-CG 3.4Å
280	S	98.4	Very high	96	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.007	29%	0.285	C	S	.	.			trans	-133.1	125.7	-169.9	165	0	0	0	0	109	R274 A275 L278 D285	R274-S280 CarbonylContact C-O 3.58Å; R274-S280 VanDerWaalsContact C-O 3.31Å; R274-S280 PolarHBondContact NE-OG 3.22Å; R274-S280 PolarHBondContact NH2-OG 2.89Å; R274-S280 PolarHBondContact O-N 3.21Å; A275-S280 WeakPolarHBondContact CA-O 3.43Å; A275-S280 PolarHBondContact N-O 3.05Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 3.42Å; S280-D285 WeakPolarHBondContact CA-OD2 3.35Å; S280-D285 WeakPolarHBondContact CB-OD2 3.36Å; S280-D285 PolarHBondContact OG-OD2 3.23Å
281	T	98.1	Very high	95.5	Very high	40 Å²	40	62 Å²	62	25%	0.245	31%	0.307	C	S	.	.			trans	-141.7	154.5	171.9	81.6	0	0	0	0	109	A275 E283 Q284 D285	A275-T281 HydrophobicContact CB-CG2 4.4Å; T281-E283 VanDerWaalsContact C-N 3.26Å; T281-E283 WeakPolarHBondContact CB-OE2 3.42Å; T281-E283 PolarHBondContact O-N 3.06Å; T281-E283 PolarHBondContact OG1-OE2 3.45Å; T281-Q284 PolarHBondContact O-N 3.2Å; T281-Q284 VanDerWaalsContact O-N 3.14Å; T281-D285 PolarHBondContact N-OD2 2.98Å; T281-D285 WeakPolarHBondContact O-CB 3.32Å; T281-D285 PolarHBondContact O-N 2.95Å
282	D	97.1	Very high	95.2	Very high	24 Å²	24	62.5 Å²	62.5	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-33.2	-174.1	-72.6	-19.1	0	0	0	114.1	R274 Q286 T287 H397	R274-D282 IonicContact CZ-OD1 3.54Å; R274-D282 IonicContact NH1-OD1 3.8Å; R274-D282 PolarHBondContact NH1-OD1 2.85Å; R274-D282 IonicContact NH2-OD1 3.42Å; R274-D282 PolarHBondContact NH2-OD1 3.12Å; D282-Q286 WeakPolarHBondContact O-CA 3.38Å; D282-Q286 PolarHBondContact O-N 3.27Å; D282-T287 WeakPolarHBondContact CA-OG1 3.26Å; D282-T287 PolarHBondContact O-N 3.39Å; D282-T287 PolarHBondContact OD1-OG1 3Å; D282-H397 IonicContact OD1-CD2 3.81Å; D282-H397 IonicContact OD1-NE2 2.87Å
283	E	95.9	Very high	95.1	Very high	145 Å²	145	57.6 Å²	57.6	68%	0.678	29%	0.287	S	S	*	.	H	α-helix	trans	-67	-43.2	177.2	-57.5	76.3	-165.7	0	0	111.7	T281	T281-E283 VanDerWaalsContact C-N 3.26Å; T281-E283 WeakPolarHBondContact CB-OE2 3.42Å; T281-E283 PolarHBondContact O-N 3.06Å; T281-E283 PolarHBondContact OG1-OE2 3.45Å
284	Q	96.6	Very high	94.9	Very high	108 Å²	108	59.7 Å²	59.7	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-74.2	-32.5	180	-63.1	-176.9	20.6	0	0	111.9	T281	T281-Q284 PolarHBondContact O-N 3.2Å; T281-Q284 VanDerWaalsContact O-N 3.14Å
285	D	97.8	Very high	94.6	Very high	3 Å²	3	68 Å²	68	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-91.1	-7.4	-173.1	-60.6	-14.1	0	0	0	112.6	R274 S280 T281 T287 R304 G305 G306	R274-D285 IonicContact NH2-OD2 2.95Å; R274-D285 PolarHBondContact NH2-OD2 3.41Å; R274-D285 VanDerWaalsContact NH2-OD2 3.16Å; S280-D285 WeakPolarHBondContact CA-OD2 3.35Å; S280-D285 WeakPolarHBondContact CB-OD2 3.36Å; S280-D285 PolarHBondContact OG-OD2 3.23Å; T281-D285 PolarHBondContact N-OD2 2.98Å; T281-D285 WeakPolarHBondContact O-CB 3.32Å; T281-D285 PolarHBondContact O-N 2.95Å; D285-T287 HydrophobicContact CB-CG2 4.26Å; D285-T287 PolarHBondContact O-N 3.29Å; D285-R304 CarbonylContact O-C 3.59Å; D285-R304 WeakPolarHBondContact O-CA 3.49Å; D285-R304 WeakPolarHBondContact O-CB 3.5Å; D285-R304 PolarHBondContact O-N 3.41Å; D285-G305 PolarHBondContact O-N 3.3Å; D285-G306 VanDerWaalsContact CG-CA 3.41Å; D285-G306 VanDerWaalsContact CG-N 3.26Å; D285-G306 WeakPolarHBondContact OD1-CA 3.36Å; D285-G306 PolarHBondContact OD1-N 2.92Å; D285-G306 WeakPolarHBondContact OD2-CA 3.39Å; D285-G306 PolarHBondContact OD2-N 2.83Å
286	Q	97.1	Very high	94.3	Very high	120 Å²	120	66 Å²	66	56%	0.561	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	38.8	-175.5	-56.3	-179.8	-41.6	0	0	112.2	D282 A303 R304	D282-Q286 WeakPolarHBondContact O-CA 3.38Å; D282-Q286 PolarHBondContact O-N 3.27Å; Q286-A303 WeakPolarHBondContact O-CA 3.45Å; Q286-R304 HydrophobicContact CB-CB 4.41Å
287	T	95.8	Very high	93.9	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.012	32%	0.315	C	S	.	.			trans	-113.7	28.1	179.3	50.9	0	0	0	0	111.9	D282 D285 Y289 A303 H397 F422	D282-T287 WeakPolarHBondContact CA-OG1 3.26Å; D282-T287 PolarHBondContact O-N 3.39Å; D282-T287 PolarHBondContact OD1-OG1 3Å; D285-T287 HydrophobicContact CB-CG2 4.26Å; D285-T287 PolarHBondContact O-N 3.29Å; T287-Y289 PolarHBondContact O-N 3.13Å; T287-Y289 VanDerWaalsContact O-N 3.13Å; T287-A303 HydrophobicContact CG2-CB 3.97Å; T287-H397 PolarHBondContact OG1-CD2 3.35Å; T287-F422 HydrophobicContact CG2-CE2 3.81Å; T287-F422 HydrophobicContact CG2-CZ 3.65Å
288	V	86.6	Confident	93.6	Very high	98 Å²	98	63.3 Å²	63.3	59%	0.594	31%	0.307	S	S	*	.			trans	-53.1	121.3	-177.4	-178.8	0	0	0	0	110.7
289	Y	84.4	Confident	93.3	Very high	41 Å²	41	71.6 Å²	71.6	16%	0.161	34%	0.343	C	S	.	.			trans	-96.1	148.9	-175	-165.3	-95.9	0	0	0	111.7	V261 T287 I296 W393 L420	V261-Y289 HydrophobicContact CG1-CE1 4.26Å; V261-Y289 WeakPolarHBondContact CG1-OH 3.33Å; V261-Y289 VanDerWaalsContact CG2-OH 3.23Å; V261-Y289 WeakPolarHBondContact CG2-OH 3.01Å; T287-Y289 PolarHBondContact O-N 3.13Å; T287-Y289 VanDerWaalsContact O-N 3.13Å; Y289-I296 HydrophobicContact CD2-CD1 4.11Å; Y289-I296 HydrophobicContact CE1-CD1 4.32Å; Y289-I296 HydrophobicContact CE2-CD1 3.64Å; Y289-W393 HydrophobicContact CD2-CH2 4.14Å; Y289-W393 HydrophobicContact CE2-CH2 4.34Å; Y289-L420 HydrophobicContact CD2-CD2 4.2Å
290	N	87.2	Confident	93.1	Very high	66 Å²	66	70.4 Å²	70.4	35%	0.353	34%	0.336	S	S	.	.			trans	-114.1	129.3	171.2	-164.2	-47	0	0	0	109.3	D292 I296	N290-D292 PolarHBondContact O-N 2.92Å; N290-D292 PolarHBondContact OD1-N 3.48Å; N290-I296 HydrophobicContact CB-CG1 3.85Å; N290-I296 WeakPolarHBondContact O-CD1 3.41Å
291	E	87.1	Confident	92.8	Very high	100 Å²	100	72.4 Å²	72.4	47%	0.467	36%	0.357	S	S	.	.	S	Bend	trans	-60.3	-31.6	177.6	-66.4	-66.2	155.3	0	0	112.3	R267 W293	R267-E291 IonicContact CZ-OE1 3.26Å; R267-E291 IonicContact CZ-OE2 2.91Å; R267-E291 IonicContact NH1-OE1 3.3Å; R267-E291 PolarHBondContact NH1-OE1 2.97Å; R267-E291 IonicContact NH1-OE2 2.78Å; R267-E291 IonicContact NH2-OE1 2.72Å; R267-E291 PolarHBondContact NH2-OE1 3.42Å; R267-E291 IonicContact NH2-OE2 3.45Å; R267-E291 PolarHBondContact NH2-OE2 3.19Å; E291-W293 PolarHBondContact O-N 3.03Å
292	D	92.8	Very high	92.7	Very high	52 Å²	52	72.7 Å²	72.7	28%	0.278	36%	0.361	S	S	.	.	S	Bend	trans	-84.5	97.5	169.9	-178.1	-2.6	0	0	0	109.8	N290 T294 R295	N290-D292 PolarHBondContact O-N 2.92Å; N290-D292 PolarHBondContact OD1-N 3.48Å; D292-T294 VanDerWaalsContact CG-OG1 3.28Å; D292-T294 PolarHBondContact O-N 3.16Å; D292-T294 VanDerWaalsContact O-N 3.09Å; D292-T294 WeakPolarHBondContact OD1-CB 3.12Å; D292-T294 PolarHBondContact OD1-N 3.22Å; D292-T294 VanDerWaalsContact OD1-N 3.09Å; D292-T294 PolarHBondContact OD1-OG1 2.99Å; D292-T294 PolarHBondContact OD2-OG1 3.19Å; D292-R295 HydrophobicContact CB-CG 4.19Å; D292-R295 WeakPolarHBondContact O-CB 3.26Å; D292-R295 PolarHBondContact O-N 3.46Å; D292-R295 WeakPolarHBondContact OD2-CD 3.31Å; D292-R295 WeakPolarHBondContact OD2-CG 3.3Å; D292-R295 IonicContact OD2-CZ 3.68Å; D292-R295 IonicContact OD2-NE 3.38Å; D292-R295 PolarHBondContact OD2-NE 3.25Å; D292-R295 IonicContact OD2-NH2 3.16Å
293	W	94.9	Very high	92.7	Very high	17 Å²	17	72.1 Å²	72.1	6%	0.064	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-56.3	-28.6	-178.3	69	-96.5	0	0	0	112.8	S132 N136 D255 R258 V261 E291 R295 I296	S132-W293 PolarHBondContact O-NE1 3.15Å; N136-W293 HydrophobicContact CB-CH2 4.27Å; N136-W293 HydrophobicContact CB-CZ2 3.82Å; D255-W293 HydrophobicContact CB-CH2 4.25Å; D255-W293 HydrophobicContact CB-CZ3 4.35Å; R258-W293 HydrophobicContact CB-CD2 4.38Å; R258-W293 HydrophobicContact CB-CE3 3.6Å; R258-W293 HydrophobicContact CB-CZ3 4.05Å; R258-W293 PolarHBondContact NH2-O 3.16Å; V261-W293 HydrophobicContact CG2-CB 3.88Å; V261-W293 HydrophobicContact CG2-CG 4.4Å; E291-W293 PolarHBondContact O-N 3.03Å; W293-R295 PolarHBondContact O-N 3.03Å; W293-I296 HydrophobicContact CB-CD1 4.45Å; W293-I296 WeakPolarHBondContact O-CB 3.23Å; W293-I296 PolarHBondContact O-N 3.37Å; W293-I296 VanDerWaalsContact O-N 3.11Å
294	T	94.7	Very high	92.8	Very high	61 Å²	61	71.7 Å²	71.7	37%	0.374	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-64.9	-26.9	-178.4	71.6	0	0	0	0	112.1	R258 D292	R258-T294 PolarHBondContact NH2-O 3.01Å; D292-T294 VanDerWaalsContact CG-OG1 3.28Å; D292-T294 PolarHBondContact O-N 3.16Å; D292-T294 VanDerWaalsContact O-N 3.09Å; D292-T294 WeakPolarHBondContact OD1-CB 3.12Å; D292-T294 PolarHBondContact OD1-N 3.22Å; D292-T294 VanDerWaalsContact OD1-N 3.09Å; D292-T294 PolarHBondContact OD1-OG1 2.99Å; D292-T294 PolarHBondContact OD2-OG1 3.19Å
295	R	93.3	Very high	92.8	Very high	177 Å²	177	66.5 Å²	66.5	67%	0.668	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-85.1	-15	178.6	-59.8	-179.2	-169.3	-154.7	-2.6	113.3	D292 W293 K297	D292-R295 HydrophobicContact CB-CG 4.19Å; D292-R295 WeakPolarHBondContact O-CB 3.26Å; D292-R295 PolarHBondContact O-N 3.46Å; D292-R295 WeakPolarHBondContact OD2-CD 3.31Å; D292-R295 WeakPolarHBondContact OD2-CG 3.3Å; D292-R295 IonicContact OD2-CZ 3.68Å; D292-R295 IonicContact OD2-NE 3.38Å; D292-R295 PolarHBondContact OD2-NE 3.25Å; D292-R295 IonicContact OD2-NH2 3.16Å; W293-R295 PolarHBondContact O-N 3.03Å; R295-K297 PolarHBondContact O-N 3.08Å
296	I	90.3	Very high	92.9	Very high	10 Å²	10	66.4 Å²	66.4	5%	0.051	33%	0.327	C	S	.	.			trans	-70.7	104	176.8	-56.7	176.8	0	0	0	108.3	R258 Y289 N290 W293 N298 I419 Y449	R258-I296 PolarHBondContact NH2-O 2.93Å; Y289-I296 HydrophobicContact CD2-CD1 4.11Å; Y289-I296 HydrophobicContact CE1-CD1 4.32Å; Y289-I296 HydrophobicContact CE2-CD1 3.64Å; N290-I296 HydrophobicContact CB-CG1 3.85Å; N290-I296 WeakPolarHBondContact O-CD1 3.41Å; W293-I296 HydrophobicContact CB-CD1 4.45Å; W293-I296 WeakPolarHBondContact O-CB 3.23Å; W293-I296 PolarHBondContact O-N 3.37Å; W293-I296 VanDerWaalsContact O-N 3.11Å; I296-N298 WeakPolarHBondContact CG2-ND2 3.45Å; I296-I419 HydrophobicContact CG2-CG2 4.31Å; I296-Y449 WeakPolarHBondContact O-CE1 3.35Å
297	K	91.1	Very high	92.9	Very high	134 Å²	134	62.4 Å²	62.4	58%	0.583	31%	0.311	S	S	*	.			trans	-132.6	63.7	174.8	-64.4	-170.7	179.4	-171.9	0	109.6	R295 Y449	R295-K297 PolarHBondContact O-N 3.08Å; K297-Y449 HydrophobicContact CB-CD1 4.48Å; K297-Y449 HydrophobicContact CB-CE1 4.41Å; K297-Y449 HydrophobicContact CG-CD1 3.91Å; K297-Y449 HydrophobicContact CG-CE1 4.2Å; K297-Y449 HydrophobicContact CG-CG 4.23Å
298	N	91.2	Very high	93.1	Very high	45 Å²	45	62.3 Å²	62.3	24%	0.241	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-69	137.6	-177.3	-67.8	-34.1	0	0	0	110.4	I296 L300 I419 L420 Y449	I296-N298 WeakPolarHBondContact CG2-ND2 3.45Å; N298-L300 PolarHBondContact O-N 3.4Å; N298-I419 PolarHBondContact ND2-O 2.93Å; N298-I419 VanDerWaalsContact ND2-O 3.14Å; N298-L420 PolarHBondContact ND2-O 3.29Å; N298-Y449 PolarHBondContact N-OH 3.43Å; N298-Y449 PolarHBondContact O-OH 3.46Å
299	K	91.8	Very high	93.6	Very high	174 Å²	174	57.7 Å²	57.7	76%	0.757	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-72.2	127.3	172.4	-179.7	-177.5	176.2	-176.1	0	107.9	G301 S302	K299-G301 PolarHBondContact O-N 2.89Å; K299-S302 WeakPolarHBondContact O-CB 3.28Å; K299-S302 PolarHBondContact O-N 2.84Å; K299-S302 PolarHBondContact O-OG 3.04Å
300	L	92.1	Very high	94.3	Very high	60 Å²	60	55.7 Å²	55.7	31%	0.314	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.7	177.4	-165	70.2	0	0	0	111.3	N298 F422 P424	N298-L300 PolarHBondContact O-N 3.4Å; L300-F422 WeakPolarHBondContact CD1-O 3.31Å; L300-P424 HydrophobicContact CD1-CG 4.22Å; L300-P424 HydrophobicContact CD2-CG 3.68Å; L300-P424 HydrophobicContact CG-CG 4.16Å
301	G	93.6	Very high	94.9	Very high	44 Å²	44	52.6 Å²	52.6	45%	0.454	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	8.2	-173.7	0	0	0	0	0	115.2	K299 G421	K299-G301 PolarHBondContact O-N 2.89Å; G301-G421 CarbonylContact C-O 3.56Å; G301-G421 WeakPolarHBondContact CA-O 3.34Å; G301-G421 PolarHBondContact N-O 2.87Å
302	S	95.4	Very high	95.4	Very high	46 Å²	46	48.1 Å²	48.1	32%	0.322	24%	0.237	S	C	.	.			trans	-79.6	-26.7	173.8	65.8	0	0	0	0	113.4	K299 G421	K299-S302 WeakPolarHBondContact O-CB 3.28Å; K299-S302 PolarHBondContact O-N 2.84Å; K299-S302 PolarHBondContact O-OG 3.04Å; S302-G421 PolarHBondContact N-O 2.88Å; S302-G421 VanDerWaalsContact N-O 3.15Å
303	A	97.3	Very high	95.5	Very high	11 Å²	11	45.8 Å²	45.8	9%	0.091	23%	0.225	C	C	.	.			trans	-80.4	137	177.8	0	0	0	0	0	111.4	Q286 T287 L420 G421 F422	Q286-A303 WeakPolarHBondContact O-CA 3.45Å; T287-A303 HydrophobicContact CG2-CB 3.97Å; A303-L420 WeakPolarHBondContact CB-O 3.41Å; A303-G421 PolarHBondContact N-O 3Å; A303-F422 HydrophobicContact CB-CD1 4.09Å; A303-F422 HydrophobicContact CB-CD2 3.86Å; A303-F422 HydrophobicContact CB-CE1 4.16Å; A303-F422 HydrophobicContact CB-CE2 3.93Å; A303-F422 HydrophobicContact CB-CG 3.95Å; A303-F422 HydrophobicContact CB-CZ 4.09Å
304	R	97.4	Very high	95.4	Very high	136 Å²	136	46.4 Å²	46.4	51%	0.513	23%	0.227	S	C	.	.			trans	-99.6	-40.4	179.9	-178	-176.5	179.4	-170.6	1.7	112.4	D285 Q286	D285-R304 CarbonylContact O-C 3.59Å; D285-R304 WeakPolarHBondContact O-CA 3.49Å; D285-R304 WeakPolarHBondContact O-CB 3.5Å; D285-R304 PolarHBondContact O-N 3.41Å; Q286-R304 HydrophobicContact CB-CB 4.41Å
305	G	98.1	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.			trans	75.9	157.8	-176	0	0	0	0	0	115.1	D285 H397 R399	D285-G305 PolarHBondContact O-N 3.3Å; G305-H397 CarbonylContact C-O 3.58Å; G305-H397 VanDerWaalsContact CA-O 3.25Å; G305-H397 WeakPolarHBondContact CA-O 3.46Å; G305-R399 PolarHBondContact O-NH2 3.41Å
306	G	98.3	Very high	94.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	156.3	-178.8	0	0	0	0	0	113.1	D285 Y308 H397 R399	D285-G306 VanDerWaalsContact CG-CA 3.41Å; D285-G306 VanDerWaalsContact CG-N 3.26Å; D285-G306 WeakPolarHBondContact OD1-CA 3.36Å; D285-G306 PolarHBondContact OD1-N 2.92Å; D285-G306 WeakPolarHBondContact OD2-CA 3.39Å; D285-G306 PolarHBondContact OD2-N 2.83Å; G306-Y308 PolarHBondContact O-N 2.85Å; G306-H397 PolarHBondContact N-O 2.98Å; G306-R399 WeakPolarHBondContact O-CB 3.33Å; G306-R399 PolarHBondContact O-N 2.93Å; G306-R399 VanDerWaalsContact O-N 3.1Å
307	P	98.1	Very high	93.9	Very high	37 Å²	37	41.4 Å²	41.4	24%	0.24	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	49.1	-173.7	34.5	-37.2	0	0	0	113.1	N279	N279-P307 HydrophobicContact CB-CG 4.33Å; N279-P307 WeakPolarHBondContact O-CD 3.29Å; N279-P307 VanDerWaalsContact O-CG 3.31Å; N279-P307 WeakPolarHBondContact O-CG 3.4Å
308	Y	98.7	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159.5	177.9	65.2	-80.4	0	0	0	111.8	L278 G306 R347 F349 I394 H397 A398 R399	L278-Y308 HydrophobicContact CB-CD1 3.77Å; L278-Y308 HydrophobicContact CB-CE1 4.01Å; L278-Y308 HydrophobicContact CB-CG 4.24Å; L278-Y308 HydrophobicContact CD1-CD1 4.11Å; L278-Y308 HydrophobicContact CD1-CD2 3.95Å; L278-Y308 HydrophobicContact CD1-CE1 3.91Å; L278-Y308 HydrophobicContact CD1-CE2 3.73Å; L278-Y308 HydrophobicContact CD1-CG 4.13Å; L278-Y308 HydrophobicContact CD2-CD2 4.44Å; L278-Y308 HydrophobicContact CD2-CG 4.22Å; L278-Y308 HydrophobicContact CG-CD1 4.38Å; L278-Y308 HydrophobicContact CG-CG 4.44Å; G306-Y308 PolarHBondContact O-N 2.85Å; Y308-R347 CarbonylContact C-O 3.49Å; Y308-R347 VanDerWaalsContact CA-O 3.28Å; Y308-R347 WeakPolarHBondContact CA-O 3.43Å; Y308-F349 HydrophobicContact CD2-CB 3.81Å; Y308-F349 HydrophobicContact CE2-CB 4Å; Y308-I394 HydrophobicContact CE2-CG2 4.15Å; Y308-I394 WeakPolarHBondContact CE2-O 3.33Å; Y308-I394 PolarHBondContact OH-O 3.29Å; Y308-H397 VanDerWaalsContact OH-C 3.24Å; Y308-H397 WeakPolarHBondContact OH-CB 3.38Å; Y308-A398 HydrophobicContact CD2-CB 3.82Å; Y308-A398 HydrophobicContact CE2-CB 3.44Å; Y308-A398 VanDerWaalsContact CE2-CB 3.44Å; Y308-A398 PolarHBondContact OH-N 2.78Å; Y308-R399 PolarHBondContact O-N 2.92Å
309	L	98.8	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.5	170	176.5	68.1	0	0	0	108.9	V311 I336 L339 M340 L345 R347 V348 F349 Y400 I402	L309-V311 HydrophobicContact CD2-CG2 3.94Å; L309-V311 HydrophobicContact CG-CG2 3.88Å; L309-I336 HydrophobicContact CD2-CB 4.43Å; L309-I336 HydrophobicContact CD2-CG2 4Å; L309-L339 HydrophobicContact CD1-CB 4.32Å; L309-L339 HydrophobicContact CD1-CD1 4.43Å; L309-L339 HydrophobicContact CD2-CB 4.06Å; L309-M340 HydrophobicContact CB-CG 4.23Å; L309-M340 HydrophobicContact CD2-CG 3.82Å; L309-L345 HydrophobicContact CB-CD1 3.93Å; L309-R347 PolarHBondContact N-O 2.78Å; L309-V348 HydrophobicContact CB-CB 4.4Å; L309-V348 HydrophobicContact CB-CG2 4.19Å; L309-V348 HydrophobicContact CD2-CG2 4.16Å; L309-V348 HydrophobicContact CG-CG2 4.3Å; L309-V348 CarbonylContact O-C 3.31Å; L309-V348 WeakPolarHBondContact O-CA 3.23Å; L309-F349 PolarHBondContact O-N 3Å; L309-Y400 HydrophobicContact CD1-CD1 3.89Å; L309-Y400 HydrophobicContact CD1-CG 4.29Å; L309-I402 HydrophobicContact CD1-CG2 4.46Å
310	G	98.7	Very high	91.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.8	171.9	0	0	0	0	0	110.1	A398 Y400 F401 I402	G310-A398 VanDerWaalsContact N-CB 3.27Å; G310-Y400 PolarHBondContact N-O 3.26Å; G310-F401 WeakPolarHBondContact O-CA 3.35Å; G310-F401 WeakPolarHBondContact O-CD2 3.42Å; G310-I402 PolarHBondContact O-N 3.02Å
311	V	98.6	Very high	90.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.6	-177.3	174.1	0	0	0	0	109	L309 L313 I336 V348 F349 V350 A351 I402 F431	L309-V311 HydrophobicContact CD2-CG2 3.94Å; L309-V311 HydrophobicContact CG-CG2 3.88Å; V311-L313 HydrophobicContact CG1-CD1 3.98Å; V311-L313 HydrophobicContact CG1-CG 3.69Å; V311-I336 HydrophobicContact CG1-CD1 4.14Å; V311-I336 HydrophobicContact CG2-CD1 4.18Å; V311-I336 HydrophobicContact CG2-CG1 3.99Å; V311-V348 HydrophobicContact CB-CG2 4.5Å; V311-V348 HydrophobicContact CG2-CG2 3.65Å; V311-F349 WeakPolarHBondContact CB-O 3.36Å; V311-F349 PolarHBondContact N-O 3.41Å; V311-V350 HydrophobicContact CB-CG2 4.05Å; V311-V350 HydrophobicContact CG1-CG1 4.31Å; V311-V350 HydrophobicContact CG1-CG2 4.31Å; V311-V350 WeakPolarHBondContact O-CA 3.41Å; V311-A351 PolarHBondContact O-N 2.77Å; V311-I402 WeakPolarHBondContact CA-O 3.26Å; V311-I402 HydrophobicContact CG2-CG2 3.93Å; V311-F431 HydrophobicContact CG1-CE2 3.73Å; V311-F431 HydrophobicContact CG1-CZ 3.67Å
312	H	98.3	Very high	89.6	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.028	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.5	164.3	170.9	-106	0	0	0	110.4	A351 F401 I402 G403 T404 S407 F409 S410 I413	H312-A351 VanDerWaalsContact CA-O 3.31Å; H312-A351 WeakPolarHBondContact CA-O 3.45Å; H312-F401 HydrophobicContact CB-CE2 3.95Å; H312-F401 HydrophobicContact CB-CZ 3.85Å; H312-I402 PolarHBondContact N-O 2.94Å; H312-G403 CarbonylContact O-C 3.53Å; H312-T404 PolarHBondContact O-N 3.03Å; H312-T404 PolarHBondContact O-OG1 2.99Å; H312-S407 PolarHBondContact CE1-OG 3.23Å; H312-S407 VanDerWaalsContact CE1-OG 3.28Å; H312-F409 AromaticContact CD2-CD1 3.23Å; H312-F409 WeakPolarHBondContact CD2-CD1 3.36Å; H312-F409 AromaticContact CD2-CE1 3.45Å; H312-F409 VanDerWaalsContact CD2-CE1 3.45Å; H312-F409 WeakPolarHBondContact CD2-CE1 3.29Å; H312-F409 AromaticContact CD2-CG 3.97Å; H312-F409 AromaticContact CE1-CD1 3.79Å; H312-F409 AromaticContact CE1-CG 4Å; H312-F409 AromaticContact CG-CD1 3.68Å; H312-F409 AromaticContact NE2-CD1 3.31Å; H312-F409 VanDerWaalsContact NE2-CD1 3.31Å; H312-F409 WeakPolarHBondContact NE2-CD1 3.02Å; H312-F409 AromaticContact NE2-CE1 3.91Å; H312-F409 AromaticContact NE2-CG 3.55Å; H312-S410 PolarHBondContact ND1-OG 3.22Å; H312-I413 HydrophobicContact CB-CD1 4.25Å
313	L	95.6	Very high	88.7	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.5	177.5	-75.4	170.1	0	0	0	109.6	V311 P327 A332 I336 V350 A351 T352 T404 F431	V311-L313 HydrophobicContact CG1-CD1 3.98Å; V311-L313 HydrophobicContact CG1-CG 3.69Å; L313-P327 HydrophobicContact CD2-CG 4.47Å; L313-A332 HydrophobicContact CD1-CB 4.24Å; L313-A332 HydrophobicContact CD2-CB 3.92Å; L313-I336 HydrophobicContact CD1-CD1 4.43Å; L313-V350 HydrophobicContact CD1-CG1 4.23Å; L313-A351 PolarHBondContact N-O 3.25Å; L313-T352 VanDerWaalsContact O-CA 3.28Å; L313-T352 WeakPolarHBondContact O-CA 3.47Å; L313-T352 VanDerWaalsContact O-CB 3.31Å; L313-T352 WeakPolarHBondContact O-CB 3.4Å; L313-T352 PolarHBondContact O-OG1 3.28Å; L313-T404 WeakPolarHBondContact CA-OG1 3.45Å; L313-F431 HydrophobicContact CD2-CD2 3.57Å; L313-F431 HydrophobicContact CD2-CE1 4.46Å; L313-F431 HydrophobicContact CD2-CE2 3.37Å; L313-F431 HydrophobicContact CD2-CG 4.24Å; L313-F431 HydrophobicContact CD2-CZ 3.86Å; L313-F431 HydrophobicContact CG-CE2 3.95Å; L313-F431 HydrophobicContact CG-CZ 4.37Å
314	R	93.3	Very high	87.9	Confident	31 Å²	31	50.1 Å²	50.1	12%	0.117	23%	0.232	C	C	.	.			trans	-88.4	122.8	172.7	-178.7	70.5	-178.2	-177	-7.2	109.4	H111 D317 F318 D353 T404	H111-R314 PolarHBondContact CD2-NH2 2.83Å; H111-R314 PolarHBondContact NE2-NH2 3.46Å; R314-D317 IonicContact CZ-OD1 3.73Å; R314-D317 IonicContact NE-OD1 2.74Å; R314-D317 PolarHBondContact NE-OD1 3.4Å; R314-D317 IonicContact NH2-OD1 3.24Å; R314-D317 PolarHBondContact NH2-OD1 3.37Å; R314-D317 IonicContact NH2-OD2 3.21Å; R314-D317 PolarHBondContact NH2-OD2 2.72Å; R314-F318 HydrophobicContact CB-CD1 4.39Å; R314-F318 HydrophobicContact CB-CG 4.43Å; R314-F318 HydrophobicContact CG-CB 3.59Å; R314-F318 HydrophobicContact CG-CD1 3.99Å; R314-F318 HydrophobicContact CG-CD2 3.95Å; R314-F318 HydrophobicContact CG-CG 3.57Å; R314-D353 WeakPolarHBondContact CA-OD1 3.31Å; R314-D353 WeakPolarHBondContact CD-OD2 3.22Å; R314-D353 IonicContact CZ-OD2 2.97Å; R314-D353 IonicContact NE-OD2 3.09Å; R314-D353 PolarHBondContact NE-OD2 2.93Å; R314-D353 VanDerWaalsContact NE-OD2 3.1Å; R314-D353 IonicContact NH1-OD2 3.89Å; R314-D353 PolarHBondContact NH1-OD2 3.5Å; R314-D353 IonicContact NH2-OD2 3.72Å; R314-T404 HydrophobicContact CB-CG2 3.83Å; R314-T404 PolarHBondContact N-OG1 3.01Å
315	R	88.8	Confident	87.2	Confident	22 Å²	22	45 Å²	45	8%	0.083	22%	0.215	C	C	.	.			trans	-115.7	-107.7	-172.8	-61.9	-58.3	-67.6	163.9	-0.7	110.5	D317 F318 I319 P327 D353 A354 E358	R315-D317 PolarHBondContact O-N 2.99Å; R315-F318 CarbonylContact O-C 3.59Å; R315-F318 WeakPolarHBondContact O-CA 3.29Å; R315-F318 WeakPolarHBondContact O-CB 3.44Å; R315-F318 PolarHBondContact O-N 3.37Å; R315-I319 HydrophobicContact CB-CD1 3.87Å; R315-I319 HydrophobicContact CB-CG1 4.39Å; R315-I319 VanDerWaalsContact CZ-CD1 3.45Å; R315-I319 PolarHBondContact O-N 3.08Å; R315-P327 PolarHBondContact NH1-O 3.12Å; R315-D353 PolarHBondContact N-OD1 2.74Å; R315-A354 HydrophobicContact CB-CB 4.32Å; R315-A354 HydrophobicContact CG-CB 4.02Å; R315-E358 WeakPolarHBondContact CB-OE2 2.95Å; R315-E358 IonicContact CZ-OE1 3.42Å; R315-E358 VanDerWaalsContact CZ-OE1 3.3Å; R315-E358 IonicContact NE-OE1 2.7Å; R315-E358 PolarHBondContact NE-OE1 2.95Å; R315-E358 IonicContact NE-OE2 3.3Å; R315-E358 IonicContact NH2-OE1 2.85Å; R315-E358 PolarHBondContact NH2-OE1 3.43Å
316	K	84.1	Confident	86.7	Confident	64 Å²	64	45.5 Å²	45.5	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	20	-118.8	174.9	-71.9	-174.4	167	144.5	0	116.6	F318 I319 D353	K316-F318 PolarHBondContact O-N 2.71Å; K316-I319 PolarHBondContact O-N 3.14Å; K316-D353 HydrophobicContact CD-CB 4.41Å; K316-D353 WeakPolarHBondContact CD-O 3.28Å; K316-D353 WeakPolarHBondContact CE-O 2.99Å; K316-D353 WeakPolarHBondContact CG-O 3.46Å; K316-D353 PolarHBondContact NZ-O 3.15Å
317	D	73.1	Confident	86.4	Confident	57 Å²	57	45.8 Å²	45.8	31%	0.305	22%	0.22	S	C	.	.	H	α-helix	trans	-59.2	-33.5	-177.8	57.9	-21.5	0	0	0	111.9	H111 R314 R315 I319 W320 G321	H111-D317 IonicContact CD2-OD2 3.55Å; H111-D317 IonicContact CE1-OD2 3.07Å; H111-D317 IonicContact NE2-OD2 3.02Å; H111-D317 PolarHBondContact NE2-OD2 2.85Å; R314-D317 IonicContact CZ-OD1 3.73Å; R314-D317 IonicContact NE-OD1 2.74Å; R314-D317 PolarHBondContact NE-OD1 3.4Å; R314-D317 IonicContact NH2-OD1 3.24Å; R314-D317 PolarHBondContact NH2-OD1 3.37Å; R314-D317 IonicContact NH2-OD2 3.21Å; R314-D317 PolarHBondContact NH2-OD2 2.72Å; R315-D317 PolarHBondContact O-N 2.99Å; D317-I319 PolarHBondContact O-N 3.06Å; D317-W320 PolarHBondContact O-N 3.41Å; D317-W320 VanDerWaalsContact O-N 3.1Å; D317-G321 PolarHBondContact O-N 2.87Å
318	F	75.3	Confident	86.1	Confident	26 Å²	26	46.1 Å²	46.1	11%	0.114	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-36.6	-177.6	-135.6	-106.4	0	0	0	113	R314 R315 K316 W320 G321 H322 V326 T404 S405 V406	R314-F318 HydrophobicContact CB-CD1 4.39Å; R314-F318 HydrophobicContact CB-CG 4.43Å; R314-F318 HydrophobicContact CG-CB 3.59Å; R314-F318 HydrophobicContact CG-CD1 3.99Å; R314-F318 HydrophobicContact CG-CD2 3.95Å; R314-F318 HydrophobicContact CG-CG 3.57Å; R315-F318 CarbonylContact O-C 3.59Å; R315-F318 WeakPolarHBondContact O-CA 3.29Å; R315-F318 WeakPolarHBondContact O-CB 3.44Å; R315-F318 PolarHBondContact O-N 3.37Å; K316-F318 PolarHBondContact O-N 2.71Å; F318-W320 PolarHBondContact O-N 2.85Å; F318-G321 PolarHBondContact O-N 3.04Å; F318-H322 HydrophobicContact CD1-CB 3.87Å; F318-H322 AromaticContact CD1-CD2 3.97Å; F318-H322 AromaticContact CD2-CD2 3.79Å; F318-H322 HydrophobicContact CE1-CB 3.91Å; F318-H322 AromaticContact CE1-CD2 3.77Å; F318-H322 AromaticContact CE1-CG 3.79Å; F318-H322 AromaticContact CE2-CD2 3.61Å; F318-H322 AromaticContact CE2-NE2 3.9Å; F318-H322 HydrophobicContact CG-CB 4.48Å; F318-H322 AromaticContact CG-CD2 3.98Å; F318-H322 AromaticContact CZ-CD2 3.62Å; F318-H322 AromaticContact CZ-NE2 3.95Å; F318-H322 WeakPolarHBondContact O-CA 3.43Å; F318-H322 VanDerWaalsContact O-CB 3.27Å; F318-H322 WeakPolarHBondContact O-CB 3.22Å; F318-H322 PolarHBondContact O-N 3.21Å; F318-V326 HydrophobicContact CD1-CG2 3.73Å; F318-V326 HydrophobicContact CE1-CG2 4.09Å; F318-T404 HydrophobicContact CD1-CG2 4.03Å; F318-T404 HydrophobicContact CE1-CG2 3.92Å; F318-S405 WeakPolarHBondContact CE1-O 3.32Å; F318-S405 WeakPolarHBondContact CZ-O 3.5Å; F318-V406 HydrophobicContact CE1-CG2 4.25Å; F318-V406 HydrophobicContact CZ-CG2 3.63Å
319	I	75.8	Confident	85.8	Confident	39 Å²	39	46.8 Å²	46.8	20%	0.2	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-34	174.8	-65	161.7	0	0	0	110.7	R315 K316 D317 R323	R315-I319 HydrophobicContact CB-CD1 3.87Å; R315-I319 HydrophobicContact CB-CG1 4.39Å; R315-I319 VanDerWaalsContact CZ-CD1 3.45Å; R315-I319 PolarHBondContact O-N 3.08Å; K316-I319 PolarHBondContact O-N 3.14Å; D317-I319 PolarHBondContact O-N 3.06Å; I319-R323 WeakPolarHBondContact O-CG 3.38Å
320	W	70.4	Confident	85.6	Confident	190 Å²	190	53.8 Å²	53.8	72%	0.72	26%	0.257	S	S	*	.	H	α-helix	trans	-80.4	-36.4	-177.7	-58.6	92.4	0	0	0	112.2	D317 F318	D317-W320 PolarHBondContact O-N 3.41Å; D317-W320 VanDerWaalsContact O-N 3.1Å; F318-W320 PolarHBondContact O-N 2.85Å
321	G	72.6	Confident	85.4	Confident	60 Å²	60	54.8 Å²	54.8	62%	0.619	27%	0.267	S	S	*	.	H	α-helix	trans	-84.7	-21.8	179.7	0	0	0	0	0	115.5	D317 F318	D317-G321 PolarHBondContact O-N 2.87Å; F318-G321 PolarHBondContact O-N 3.04Å
322	H	75.9	Confident	85.3	Confident	63 Å²	63	54.9 Å²	54.9	29%	0.292	27%	0.268	S	S	.	.			trans	-136.5	42.4	-166.7	-69	-78	0	0	0	112.3	F318 E324 D325 V326	F318-H322 HydrophobicContact CD1-CB 3.87Å; F318-H322 AromaticContact CD1-CD2 3.97Å; F318-H322 AromaticContact CD2-CD2 3.79Å; F318-H322 HydrophobicContact CE1-CB 3.91Å; F318-H322 AromaticContact CE1-CD2 3.77Å; F318-H322 AromaticContact CE1-CG 3.79Å; F318-H322 AromaticContact CE2-CD2 3.61Å; F318-H322 AromaticContact CE2-NE2 3.9Å; F318-H322 HydrophobicContact CG-CB 4.48Å; F318-H322 AromaticContact CG-CD2 3.98Å; F318-H322 AromaticContact CZ-CD2 3.62Å; F318-H322 AromaticContact CZ-NE2 3.95Å; F318-H322 WeakPolarHBondContact O-CA 3.43Å; F318-H322 VanDerWaalsContact O-CB 3.27Å; F318-H322 WeakPolarHBondContact O-CB 3.22Å; F318-H322 PolarHBondContact O-N 3.21Å; H322-E324 PolarHBondContact O-N 3.11Å; H322-D325 VanDerWaalsContact C-OD1 3.3Å; H322-D325 VanDerWaalsContact CA-OD1 3.31Å; H322-D325 WeakPolarHBondContact CA-OD1 3.34Å; H322-D325 WeakPolarHBondContact CB-OD1 3.37Å; H322-D325 IonicContact CG-OD1 2.78Å; H322-D325 IonicContact ND1-OD1 3.41Å; H322-D325 IonicContact ND1-OD2 3.58Å; H322-V326 HydrophobicContact CB-CG2 3.86Å; H322-V326 WeakPolarHBondContact O-CB 3.39Å; H322-V326 WeakPolarHBondContact O-CG2 3.19Å; H322-V326 PolarHBondContact O-N 2.77Å
323	R	75.1	Confident	85.2	Confident	153 Å²	153	54.8 Å²	54.8	58%	0.577	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.8	-176.5	-72.3	-175.3	172.2	-167.4	-7.5	114.2	I319	I319-R323 WeakPolarHBondContact O-CG 3.38Å
324	E	81.6	Confident	85.3	Confident	166 Å²	166	61.5 Å²	61.5	78%	0.776	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-22.9	-169.6	-61.8	-171.9	170.7	0	0	112.9	H322 G433	H322-E324 PolarHBondContact O-N 3.11Å; E324-G433 WeakPolarHBondContact O-CA 3.34Å
325	D	82.3	Confident	85.5	Confident	28 Å²	28	64.1 Å²	64.1	15%	0.15	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	3.4	-175.5	62.5	-41	0	0	0	113.8	H322 S405 R430	H322-D325 VanDerWaalsContact C-OD1 3.3Å; H322-D325 VanDerWaalsContact CA-OD1 3.31Å; H322-D325 WeakPolarHBondContact CA-OD1 3.34Å; H322-D325 WeakPolarHBondContact CB-OD1 3.37Å; H322-D325 IonicContact CG-OD1 2.78Å; H322-D325 IonicContact ND1-OD1 3.41Å; H322-D325 IonicContact ND1-OD2 3.58Å; D325-S405 WeakPolarHBondContact OD2-CB 3.44Å; D325-S405 PolarHBondContact OD2-OG 3.05Å; D325-R430 PolarHBondContact O-NH1 2.97Å
326	V	87.3	Confident	85.9	Confident	11 Å²	11	63.1 Å²	63.1	7%	0.067	31%	0.305	C	S	.	.	S	Bend	trans	-113	134.5	173.7	-179.1	0	0	0	0	110	F318 H322 T404	F318-V326 HydrophobicContact CD1-CG2 3.73Å; F318-V326 HydrophobicContact CE1-CG2 4.09Å; H322-V326 HydrophobicContact CB-CG2 3.86Å; H322-V326 WeakPolarHBondContact O-CB 3.39Å; H322-V326 WeakPolarHBondContact O-CG2 3.19Å; H322-V326 PolarHBondContact O-N 2.77Å; V326-T404 HydrophobicContact CG2-CG2 4.04Å
327	P	91.4	Very high	86.5	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.032	31%	0.312	C	S	.	.			trans	-72.1	161.6	-178.5	32.8	-40.8	0	0	0	112.7	L313 R315 A332 F431 C432 D434	L313-P327 HydrophobicContact CD2-CG 4.47Å; R315-P327 PolarHBondContact NH1-O 3.12Å; P327-A332 HydrophobicContact CB-CB 4.25Å; P327-A332 HydrophobicContact CG-CB 3.88Å; P327-F431 HydrophobicContact CB-CB 4.44Å; P327-F431 HydrophobicContact CG-CB 3.56Å; P327-F431 HydrophobicContact CG-CD1 4.15Å; P327-F431 HydrophobicContact CG-CG 3.89Å; P327-C432 WeakPolarHBondContact CB-O 3.36Å; P327-D434 WeakPolarHBondContact CA-OD1 3.33Å
328	S	92.8	Very high	87.7	Confident	45 Å²	45	66.8 Å²	66.8	32%	0.315	32%	0.32	S	S	.	.			trans	-68.8	164.9	159	70.6	0	0	0	0	110.8	K330 G331 A332 D434	S328-K330 PolarHBondContact O-N 3.12Å; S328-G331 PolarHBondContact O-N 3.07Å; S328-G331 VanDerWaalsContact O-N 3.15Å; S328-G331 PolarHBondContact OG-N 3.23Å; S328-A332 WeakPolarHBondContact O-CB 3.24Å; S328-A332 PolarHBondContact O-N 3.34Å; S328-D434 WeakPolarHBondContact CB-OD2 3.37Å; S328-D434 PolarHBondContact N-OD1 2.9Å; S328-D434 PolarHBondContact OG-OD2 2.86Å
329	L	92.8	Very high	88.8	Confident	13 Å²	13	65.9 Å²	65.9	7%	0.068	32%	0.316	C	S	.	.	H	α-helix	trans	-57	-40.5	174.2	-69.2	179.6	0	0	0	111.9	A332 V333 E358 E361 I365	L329-A332 PolarHBondContact O-N 3.26Å; L329-V333 WeakPolarHBondContact O-CB 3.49Å; L329-V333 WeakPolarHBondContact O-CG2 3.28Å; L329-V333 PolarHBondContact O-N 2.87Å; L329-E358 HydrophobicContact CD1-CB 4.28Å; L329-E358 HydrophobicContact CD1-CG 4.28Å; L329-E361 HydrophobicContact CD1-CB 4.2Å; L329-E361 HydrophobicContact CD1-CG 4.23Å; L329-I365 HydrophobicContact CB-CD1 4.15Å
330	K	93.9	Very high	89.8	Confident	148 Å²	148	64.8 Å²	64.8	64%	0.643	31%	0.31	S	S	*	.	H	α-helix	trans	-66.3	-42.4	176.5	-66.5	179.6	-177.2	172.7	0	111.8	S328 V333 K334	S328-K330 PolarHBondContact O-N 3.12Å; K330-V333 PolarHBondContact O-N 3.1Å; K330-K334 WeakPolarHBondContact O-CB 3.24Å; K330-K334 PolarHBondContact O-N 2.89Å
331	G	94.9	Very high	91.1	Very high	21 Å²	21	64.2 Å²	64.2	22%	0.216	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-46.4	175.1	0	0	0	0	0	112.2	S328 K334 K335	S328-G331 PolarHBondContact O-N 3.07Å; S328-G331 VanDerWaalsContact O-N 3.15Å; S328-G331 PolarHBondContact OG-N 3.23Å; G331-K334 PolarHBondContact O-N 3.12Å; G331-K335 WeakPolarHBondContact O-CB 3.5Å; G331-K335 PolarHBondContact O-N 3.07Å
332	A	96.1	Very high	92.3	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-50.5	176.4	0	0	0	0	0	111.4	L313 P327 S328 L329 K334 K335 I336 F431	L313-A332 HydrophobicContact CD1-CB 4.24Å; L313-A332 HydrophobicContact CD2-CB 3.92Å; P327-A332 HydrophobicContact CB-CB 4.25Å; P327-A332 HydrophobicContact CG-CB 3.88Å; S328-A332 WeakPolarHBondContact O-CB 3.24Å; S328-A332 PolarHBondContact O-N 3.34Å; L329-A332 PolarHBondContact O-N 3.26Å; A332-K334 PolarHBondContact O-N 2.92Å; A332-K335 WeakPolarHBondContact O-CB 3.44Å; A332-K335 PolarHBondContact O-N 2.81Å; A332-K335 VanDerWaalsContact O-N 3.15Å; A332-I336 WeakPolarHBondContact O-CB 3.24Å; A332-I336 VanDerWaalsContact O-CG1 3.25Å; A332-I336 WeakPolarHBondContact O-CG1 3.22Å; A332-I336 PolarHBondContact O-N 3.11Å; A332-F431 HydrophobicContact CB-CD1 4.46Å; A332-F431 HydrophobicContact CB-CE1 4.27Å
333	V	96.9	Very high	93.3	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-39.3	-179.3	167.5	0	0	0	0	112.6	L329 K330 K335 I336 R337 L362 I365 L366	L329-V333 WeakPolarHBondContact O-CB 3.49Å; L329-V333 WeakPolarHBondContact O-CG2 3.28Å; L329-V333 PolarHBondContact O-N 2.87Å; K330-V333 PolarHBondContact O-N 3.1Å; V333-K335 VanDerWaalsContact C-N 3.33Å; V333-K335 PolarHBondContact O-N 2.91Å; V333-I336 PolarHBondContact O-N 2.82Å; V333-R337 WeakPolarHBondContact O-CG 3.45Å; V333-R337 PolarHBondContact O-N 2.92Å; V333-L362 HydrophobicContact CG2-CD1 3.54Å; V333-I365 HydrophobicContact CB-CD1 4.01Å; V333-I365 HydrophobicContact CB-CG1 4.48Å; V333-I365 HydrophobicContact CG1-CD1 4.47Å; V333-I365 HydrophobicContact CG2-CD1 3.48Å; V333-I365 VanDerWaalsContact CG2-CD1 3.48Å; V333-I365 HydrophobicContact CG2-CG1 3.82Å; V333-L366 HydrophobicContact CG1-CB 4.19Å; V333-L366 HydrophobicContact CG1-CD1 4.06Å; V333-L366 HydrophobicContact CG2-CB 3.92Å; V333-L366 HydrophobicContact CG2-CD2 4.38Å
334	K	96.8	Very high	94.4	Very high	144 Å²	144	69.8 Å²	69.8	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-57.4	-49.3	172	-178.4	-177.7	175.7	-173.9	0	110.6	K330 G331 A332 I336 R337 D338	K330-K334 WeakPolarHBondContact O-CB 3.24Å; K330-K334 PolarHBondContact O-N 2.89Å; G331-K334 PolarHBondContact O-N 3.12Å; A332-K334 PolarHBondContact O-N 2.92Å; K334-I336 PolarHBondContact O-N 2.95Å; K334-R337 PolarHBondContact O-N 3.37Å; K334-D338 VanDerWaalsContact O-CG 3.31Å; K334-D338 PolarHBondContact O-N 3Å
335	K	97	Very high	95.2	Very high	86 Å²	86	62.1 Å²	62.1	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-40.5	179.2	-178.2	60.5	173.6	-170.2	0	112.6	G331 A332 V333 D338 L339 I402 F431	G331-K335 WeakPolarHBondContact O-CB 3.5Å; G331-K335 PolarHBondContact O-N 3.07Å; A332-K335 WeakPolarHBondContact O-CB 3.44Å; A332-K335 PolarHBondContact O-N 2.81Å; A332-K335 VanDerWaalsContact O-N 3.15Å; V333-K335 VanDerWaalsContact C-N 3.33Å; V333-K335 PolarHBondContact O-N 2.91Å; K335-D338 PolarHBondContact O-N 3.43Å; K335-L339 HydrophobicContact CD-CD1 4.48Å; K335-L339 HydrophobicContact CD-CG 4.45Å; K335-L339 HydrophobicContact CG-CD1 4.31Å; K335-L339 WeakPolarHBondContact O-CG 3.1Å; K335-L339 PolarHBondContact O-N 2.83Å; K335-I402 HydrophobicContact CG-CD1 4.05Å; K335-F431 HydrophobicContact CB-CD1 4.06Å; K335-F431 HydrophobicContact CB-CE1 3.99Å; K335-F431 HydrophobicContact CG-CD1 3.85Å; K335-F431 HydrophobicContact CG-CE1 3.89Å
336	I	97.9	Very high	95.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-52.1	175.3	-74.2	167.4	0	0	0	110.1	L309 V311 L313 A332 V333 K334 D338 L339 M340 V348 L366 F431	L309-I336 HydrophobicContact CD2-CB 4.43Å; L309-I336 HydrophobicContact CD2-CG2 4Å; V311-I336 HydrophobicContact CG1-CD1 4.14Å; V311-I336 HydrophobicContact CG2-CD1 4.18Å; V311-I336 HydrophobicContact CG2-CG1 3.99Å; L313-I336 HydrophobicContact CD1-CD1 4.43Å; A332-I336 WeakPolarHBondContact O-CB 3.24Å; A332-I336 VanDerWaalsContact O-CG1 3.25Å; A332-I336 WeakPolarHBondContact O-CG1 3.22Å; A332-I336 PolarHBondContact O-N 3.11Å; V333-I336 PolarHBondContact O-N 2.82Å; K334-I336 PolarHBondContact O-N 2.95Å; I336-D338 VanDerWaalsContact C-N 3.35Å; I336-D338 PolarHBondContact O-N 3.43Å; I336-L339 PolarHBondContact O-N 3.22Å; I336-M340 HydrophobicContact CG2-CG 4.4Å; I336-M340 HydrophobicContact CG2-SD 3.88Å; I336-M340 WeakPolarHBondContact O-CG 3.35Å; I336-M340 PolarHBondContact O-N 3Å; I336-V348 HydrophobicContact CG2-CB 4.46Å; I336-V348 HydrophobicContact CG2-CG2 3.97Å; I336-L366 HydrophobicContact CD1-CD2 4.03Å; I336-L366 HydrophobicContact CG2-CD1 3.97Å; I336-L366 HydrophobicContact CG2-CD2 4.09Å; I336-F431 HydrophobicContact CD1-CZ 4.28Å; I336-F431 HydrophobicContact CG1-CE1 4.06Å; I336-F431 HydrophobicContact CG1-CZ 3.95Å
337	R	97.6	Very high	96.2	Very high	111 Å²	111	71.8 Å²	71.8	42%	0.419	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-40.1	179.6	-74	-176.9	170.9	146.5	3.9	112.9	V333 K334 L339 M340 K341 I365 L366 E368	V333-R337 WeakPolarHBondContact O-CG 3.45Å; V333-R337 PolarHBondContact O-N 2.92Å; K334-R337 PolarHBondContact O-N 3.37Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.44Å; R337-M340 PolarHBondContact O-N 3.32Å; R337-K341 WeakPolarHBondContact O-CB 3.29Å; R337-K341 PolarHBondContact O-N 3.22Å; R337-I365 PolarHBondContact NH2-O 3.29Å; R337-L366 HydrophobicContact CG-CD1 4.39Å; R337-E368 IonicContact CZ-OE1 3.13Å; R337-E368 IonicContact NE-OE1 3.6Å; R337-E368 PolarHBondContact NE-OE1 3.43Å; R337-E368 IonicContact NH2-OE1 3.68Å; R337-E368 IonicContact NH2-OE2 3.2Å
338	D	97.6	Very high	96.5	Very high	87 Å²	87	71.6 Å²	71.6	47%	0.465	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-42.9	175.5	-72.1	-21.3	0	0	0	111.5	K334 K335 I336 K342	K334-D338 VanDerWaalsContact O-CG 3.31Å; K334-D338 PolarHBondContact O-N 3Å; K335-D338 PolarHBondContact O-N 3.43Å; I336-D338 VanDerWaalsContact C-N 3.35Å; I336-D338 PolarHBondContact O-N 3.43Å; D338-K342 VanDerWaalsContact O-CB 3.25Å; D338-K342 WeakPolarHBondContact O-CB 3.45Å; D338-K342 PolarHBondContact O-N 3.3Å
339	L	97.9	Very high	96.8	Very high	8 Å²	8	69.4 Å²	69.4	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-41.1	177	-73.6	174	0	0	0	112.5	L309 K335 I336 R337 K342 N343 Y400 I402	L309-L339 HydrophobicContact CD1-CB 4.32Å; L309-L339 HydrophobicContact CD1-CD1 4.43Å; L309-L339 HydrophobicContact CD2-CB 4.06Å; K335-L339 HydrophobicContact CD-CD1 4.48Å; K335-L339 HydrophobicContact CD-CG 4.45Å; K335-L339 HydrophobicContact CG-CD1 4.31Å; K335-L339 WeakPolarHBondContact O-CG 3.1Å; K335-L339 PolarHBondContact O-N 2.83Å; I336-L339 PolarHBondContact O-N 3.22Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.44Å; L339-K342 PolarHBondContact O-N 3.46Å; L339-N343 WeakPolarHBondContact O-CB 3.48Å; L339-N343 PolarHBondContact O-N 2.99Å; L339-N343 PolarHBondContact O-ND2 3.49Å; L339-Y400 HydrophobicContact CD1-CE1 4.34Å; L339-Y400 HydrophobicContact CD2-CE1 4.02Å; L339-I402 HydrophobicContact CD1-CB 4.19Å; L339-I402 HydrophobicContact CD1-CD1 3.72Å; L339-I402 HydrophobicContact CD1-CG2 3.99Å
340	M	97.7	Very high	97.1	Very high	15 Å²	15	68.8 Å²	68.8	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-48.6	175.1	-74.5	-179.6	74.8	0	0	110.9	L309 I336 R337 N343 K344 L345 D346 V348 E368	L309-M340 HydrophobicContact CB-CG 4.23Å; L309-M340 HydrophobicContact CD2-CG 3.82Å; I336-M340 HydrophobicContact CG2-CG 4.4Å; I336-M340 HydrophobicContact CG2-SD 3.88Å; I336-M340 WeakPolarHBondContact O-CG 3.35Å; I336-M340 PolarHBondContact O-N 3Å; R337-M340 PolarHBondContact O-N 3.32Å; M340-N343 PolarHBondContact O-N 3Å; M340-K344 WeakPolarHBondContact O-CA 3.41Å; M340-K344 PolarHBondContact O-N 3.19Å; M340-L345 WeakPolarHBondContact CB-O 3.19Å; M340-L345 VanDerWaalsContact CE-O 3.3Å; M340-L345 WeakPolarHBondContact CE-O 3.3Å; M340-L345 PolarHBondContact O-N 3.02Å; M340-D346 VanDerWaalsContact CE-C 3.42Å; M340-V348 HydrophobicContact CE-CB 4.36Å; M340-V348 HydrophobicContact SD-CB 3.9Å; M340-V348 HydrophobicContact SD-CG1 4.09Å; M340-E368 HydrophobicContact CE-CG 4.35Å
341	K	97.7	Very high	97.3	Very high	179 Å²	179	61.8 Å²	61.8	78%	0.778	28%	0.284	S	S	*	.	H	α-helix	trans	-61.5	-46.4	176.2	-175.2	178.9	179.9	-179.9	0	112.1	R337 N343 K344	R337-K341 WeakPolarHBondContact O-CB 3.29Å; R337-K341 PolarHBondContact O-N 3.22Å; K341-N343 VanDerWaalsContact C-N 3.32Å; K341-N343 PolarHBondContact O-N 3.31Å; K341-K344 PolarHBondContact O-N 3.38Å
342	K	97.9	Very high	97.3	Very high	163 Å²	163	61.5 Å²	61.5	71%	0.709	28%	0.278	S	S	*	.	H	α-helix	trans	-61.7	-39.8	-179.4	-176.8	179.7	177.6	-175.4	0	112.2	D338 L339	D338-K342 VanDerWaalsContact O-CB 3.25Å; D338-K342 WeakPolarHBondContact O-CB 3.45Å; D338-K342 PolarHBondContact O-N 3.3Å; L339-K342 PolarHBondContact O-N 3.46Å
343	N	97.3	Very high	97.2	Very high	45 Å²	45	62.4 Å²	62.4	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-97.1	1.8	-175.7	-64.8	-72	0	0	0	113.9	L339 M340 K341 L345	L339-N343 WeakPolarHBondContact O-CB 3.48Å; L339-N343 PolarHBondContact O-N 2.99Å; L339-N343 PolarHBondContact O-ND2 3.49Å; M340-N343 PolarHBondContact O-N 3Å; K341-N343 VanDerWaalsContact C-N 3.32Å; K341-N343 PolarHBondContact O-N 3.31Å; N343-L345 HydrophobicContact CB-CD1 3.71Å; N343-L345 HydrophobicContact CB-CG 3.89Å
344	K	97.5	Very high	97	Very high	184 Å²	184	62.6 Å²	62.6	80%	0.8	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	53.8	-177.5	-53.9	177.5	-177.9	179.1	0	111.8	M340 K341	M340-K344 WeakPolarHBondContact O-CA 3.41Å; M340-K344 PolarHBondContact O-N 3.19Å; K341-K344 PolarHBondContact O-N 3.38Å
345	L	97.2	Very high	96.7	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.031	27%	0.273	C	S	.	.			trans	-114.4	130.9	179.9	-60.7	170.9	0	0	0	109.2	L309 M340 N343 R399	L309-L345 HydrophobicContact CB-CD1 3.93Å; M340-L345 WeakPolarHBondContact CB-O 3.19Å; M340-L345 VanDerWaalsContact CE-O 3.3Å; M340-L345 WeakPolarHBondContact CE-O 3.3Å; M340-L345 PolarHBondContact O-N 3.02Å; N343-L345 HydrophobicContact CB-CD1 3.71Å; N343-L345 HydrophobicContact CB-CG 3.89Å; L345-R399 HydrophobicContact CD2-CB 4.22Å
346	D	95.1	Very high	96.3	Very high	145 Å²	145	62.9 Å²	62.9	78%	0.775	29%	0.292	S	S	*	.			trans	-101.3	-11.3	-178.7	-56.4	-43	0	0	0	112.8	M340	M340-D346 VanDerWaalsContact CE-C 3.42Å
347	R	96.9	Very high	96.1	Very high	97 Å²	97	70.4 Å²	70.4	37%	0.366	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.7	-178.9	-59.9	-175.9	-169	-172.8	7.6	111	Y277 L278 Y308 L309	Y277-R347 VanDerWaalsContact C-NH1 3.34Å; Y277-R347 PolarHBondContact O-NH1 3.21Å; L278-R347 VanDerWaalsContact C-NH1 3.28Å; Y308-R347 CarbonylContact C-O 3.49Å; Y308-R347 VanDerWaalsContact CA-O 3.28Å; Y308-R347 WeakPolarHBondContact CA-O 3.43Å; L309-R347 PolarHBondContact N-O 2.78Å
348	V	98	Very high	95.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.7	174.4	59.9	0	0	0	0	110	L309 V311 I336 M340 V350 L366 E368 T370	L309-V348 HydrophobicContact CB-CB 4.4Å; L309-V348 HydrophobicContact CB-CG2 4.19Å; L309-V348 HydrophobicContact CD2-CG2 4.16Å; L309-V348 HydrophobicContact CG-CG2 4.3Å; L309-V348 CarbonylContact O-C 3.31Å; L309-V348 WeakPolarHBondContact O-CA 3.23Å; V311-V348 HydrophobicContact CB-CG2 4.5Å; V311-V348 HydrophobicContact CG2-CG2 3.65Å; I336-V348 HydrophobicContact CG2-CB 4.46Å; I336-V348 HydrophobicContact CG2-CG2 3.97Å; M340-V348 HydrophobicContact CE-CB 4.36Å; M340-V348 HydrophobicContact SD-CB 3.9Å; M340-V348 HydrophobicContact SD-CG1 4.09Å; V348-V350 HydrophobicContact CG2-CG2 4.01Å; V348-L366 HydrophobicContact CG1-CD2 4.01Å; V348-L366 HydrophobicContact CG1-CG 4.41Å; V348-E368 HydrophobicContact CG1-CG 3.99Å; V348-T370 WeakPolarHBondContact O-CB 3.25Å; V348-T370 PolarHBondContact O-N 3Å
349	F	98.7	Very high	95.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.4	170.9	178.5	-96.9	0	0	0	109.5	F273 L278 Y308 L309 V311 A351 T370 F372 D391 I394	F273-F349 HydrophobicContact CD1-CE2 4.34Å; F273-F349 AromaticContact CE1-CD2 3.66Å; F273-F349 HydrophobicContact CE1-CD2 3.66Å; F273-F349 AromaticContact CE1-CE2 3.54Å; F273-F349 HydrophobicContact CE1-CE2 3.54Å; F273-F349 HydrophobicContact CZ-CD2 4.19Å; F273-F349 AromaticContact CZ-CE2 3.88Å; F273-F349 HydrophobicContact CZ-CE2 3.88Å; L278-F349 HydrophobicContact CD1-CB 4.17Å; L278-F349 HydrophobicContact CD1-CD2 4.27Å; L278-F349 HydrophobicContact CD1-CG 4.4Å; L278-F349 HydrophobicContact CD2-CB 4.39Å; Y308-F349 HydrophobicContact CD2-CB 3.81Å; Y308-F349 HydrophobicContact CE2-CB 4Å; L309-F349 PolarHBondContact O-N 3Å; V311-F349 WeakPolarHBondContact CB-O 3.36Å; V311-F349 PolarHBondContact N-O 3.41Å; F349-A351 HydrophobicContact CE1-CB 4.27Å; F349-T370 VanDerWaalsContact CA-O 3.32Å; F349-T370 WeakPolarHBondContact CA-O 3.26Å; F349-T370 WeakPolarHBondContact CD2-O 3.5Å; F349-F372 HydrophobicContact CE2-CB 4.18Å; F349-F372 HydrophobicContact CZ-CB 4.23Å; F349-D391 VanDerWaalsContact CZ-OD1 3.3Å; F349-D391 WeakPolarHBondContact CZ-OD1 3.3Å; F349-I394 HydrophobicContact CB-CG2 4.29Å; F349-I394 HydrophobicContact CD1-CB 4.12Å; F349-I394 HydrophobicContact CD1-CG2 3.54Å; F349-I394 HydrophobicContact CD2-CG2 3.67Å; F349-I394 HydrophobicContact CE1-CB 3.73Å; F349-I394 HydrophobicContact CE1-CD1 4.47Å; F349-I394 HydrophobicContact CE1-CG2 3.64Å; F349-I394 HydrophobicContact CE2-CB 4.25Å; F349-I394 HydrophobicContact CE2-CD1 3.82Å; F349-I394 HydrophobicContact CE2-CG2 3.75Å; F349-I394 HydrophobicContact CG-CG2 3.54Å; F349-I394 HydrophobicContact CZ-CB 3.79Å; F349-I394 HydrophobicContact CZ-CD1 3.67Å; F349-I394 HydrophobicContact CZ-CG1 4.36Å; F349-I394 HydrophobicContact CZ-CG2 3.73Å
350	V	98.4	Very high	95.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.2	-177.4	-179.4	0	0	0	0	111	V311 L313 V348 T352 L362 I369 T370 R371	V311-V350 HydrophobicContact CB-CG2 4.05Å; V311-V350 HydrophobicContact CG1-CG1 4.31Å; V311-V350 HydrophobicContact CG1-CG2 4.31Å; V311-V350 WeakPolarHBondContact O-CA 3.41Å; L313-V350 HydrophobicContact CD1-CG1 4.23Å; V348-V350 HydrophobicContact CG2-CG2 4.01Å; V350-T352 HydrophobicContact CG1-CG2 3.95Å; V350-L362 HydrophobicContact CG1-CD2 4.33Å; V350-I369 HydrophobicContact CB-CD1 3.71Å; V350-I369 HydrophobicContact CB-CG1 3.9Å; V350-I369 HydrophobicContact CG1-CD1 4.16Å; V350-I369 HydrophobicContact CG2-CD1 3.63Å; V350-I369 HydrophobicContact CG2-CG1 3.6Å; V350-T370 PolarHBondContact N-O 2.9Å; V350-R371 HydrophobicContact CB-CG 4.46Å; V350-R371 WeakPolarHBondContact O-CG 3.41Å
351	A	98.1	Very high	95.2	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.8	163	0	0	0	0	0	108.9	V311 H312 L313 F349 D391 F409	V311-A351 PolarHBondContact O-N 2.77Å; H312-A351 VanDerWaalsContact CA-O 3.31Å; H312-A351 WeakPolarHBondContact CA-O 3.45Å; L313-A351 PolarHBondContact N-O 3.25Å; F349-A351 HydrophobicContact CE1-CB 4.27Å; A351-D391 HydrophobicContact CB-CB 3.79Å; A351-F409 HydrophobicContact CB-CE1 4.19Å; A351-F409 HydrophobicContact CB-CZ 4.42Å
352	T	95.7	Very high	95.1	Very high	15 Å²	15	63.2 Å²	63.2	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	146	-177.4	179.7	0	0	0	0	110.9	L313 V350 A354 L359 R371	L313-T352 VanDerWaalsContact O-CA 3.28Å; L313-T352 WeakPolarHBondContact O-CA 3.47Å; L313-T352 VanDerWaalsContact O-CB 3.31Å; L313-T352 WeakPolarHBondContact O-CB 3.4Å; L313-T352 PolarHBondContact O-OG1 3.28Å; V350-T352 HydrophobicContact CG1-CG2 3.95Å; T352-A354 HydrophobicContact CG2-CB 4.23Å; T352-A354 VanDerWaalsContact OG1-CB 3.31Å; T352-A354 WeakPolarHBondContact OG1-CB 3.39Å; T352-A354 PolarHBondContact OG1-N 3.07Å; T352-A354 VanDerWaalsContact OG1-N 3.12Å; T352-L359 HydrophobicContact CG2-CD2 3.59Å; T352-R371 PolarHBondContact O-NH2 3.28Å
353	D	93.1	Very high	94.9	Very high	21 Å²	21	59.6 Å²	59.6	11%	0.112	28%	0.282	C	S	.	.			trans	-98.8	9.6	173	69.3	-29.5	0	0	0	113.1	R314 R315 K316	R314-D353 WeakPolarHBondContact CA-OD1 3.31Å; R314-D353 WeakPolarHBondContact CD-OD2 3.22Å; R314-D353 IonicContact CZ-OD2 2.97Å; R314-D353 IonicContact NE-OD2 3.09Å; R314-D353 PolarHBondContact NE-OD2 2.93Å; R314-D353 VanDerWaalsContact NE-OD2 3.1Å; R314-D353 IonicContact NH1-OD2 3.89Å; R314-D353 PolarHBondContact NH1-OD2 3.5Å; R314-D353 IonicContact NH2-OD2 3.72Å; R315-D353 PolarHBondContact N-OD1 2.74Å; K316-D353 HydrophobicContact CD-CB 4.41Å; K316-D353 WeakPolarHBondContact CD-O 3.28Å; K316-D353 WeakPolarHBondContact CE-O 2.99Å; K316-D353 WeakPolarHBondContact CG-O 3.46Å; K316-D353 PolarHBondContact NZ-O 3.15Å
354	A	92	Very high	94.8	Very high	8 Å²	8	64.5 Å²	64.5	7%	0.066	30%	0.301	C	S	.	.			trans	-46.2	144.6	172.2	0	0	0	0	0	112.1	R315 T352 E358 L359	R315-A354 HydrophobicContact CB-CB 4.32Å; R315-A354 HydrophobicContact CG-CB 4.02Å; T352-A354 HydrophobicContact CG2-CB 4.23Å; T352-A354 VanDerWaalsContact OG1-CB 3.31Å; T352-A354 WeakPolarHBondContact OG1-CB 3.39Å; T352-A354 PolarHBondContact OG1-N 3.07Å; T352-A354 VanDerWaalsContact OG1-N 3.12Å; A354-E358 HydrophobicContact CB-CB 3.99Å; A354-L359 HydrophobicContact CB-CD2 4.01Å; A354-L359 HydrophobicContact CB-CG 3.86Å; A354-L359 WeakPolarHBondContact O-CD1 3.14Å
355	D	90.8	Very high	94.8	Very high	72 Å²	72	57.8 Å²	57.8	39%	0.385	27%	0.274	S	S	.	.			trans	-72.8	173.4	172.6	60.5	41.5	0	0	0	112	E357 E358 L359	D355-E357 VanDerWaalsContact C-N 3.28Å; D355-E357 PolarHBondContact O-N 3.2Å; D355-E357 PolarHBondContact OD1-N 3.42Å; D355-E358 PolarHBondContact O-N 3.14Å; D355-E358 PolarHBondContact OD1-N 3.42Å; D355-L359 VanDerWaalsContact O-CB 3.26Å; D355-L359 WeakPolarHBondContact O-CB 3.13Å; D355-L359 WeakPolarHBondContact O-CD1 3.26Å; D355-L359 WeakPolarHBondContact O-CG 3.35Å; D355-L359 PolarHBondContact O-N 2.92Å
356	E	90.2	Very high	94.7	Very high	165 Å²	165	57.5 Å²	57.5	77%	0.771	27%	0.273	S	S	*	.	H	α-helix	trans	-59.4	-37.1	-176.3	-66.3	-178	176.3	0	0	112.8	L359 E360	E356-L359 PolarHBondContact O-N 3.37Å; E356-E360 WeakPolarHBondContact O-CG 3.27Å; E356-E360 PolarHBondContact O-N 2.56Å
357	E	92	Very high	94.6	Very high	158 Å²	158	55.1 Å²	55.1	74%	0.738	27%	0.265	S	S	*	.	H	α-helix	trans	-69.5	-49.2	-179.1	-173.6	178.6	179.6	0	0	111.4	D355 L359 E360 E361	D355-E357 VanDerWaalsContact C-N 3.28Å; D355-E357 PolarHBondContact O-N 3.2Å; D355-E357 PolarHBondContact OD1-N 3.42Å; E357-L359 VanDerWaalsContact C-N 3.26Å; E357-L359 PolarHBondContact O-N 3.29Å; E357-E360 PolarHBondContact O-N 3.47Å; E357-E361 PolarHBondContact O-N 3.34Å
358	E	91.8	Very high	94.3	Very high	32 Å²	32	53.3 Å²	53.3	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-35.9	174.7	-78.9	-160.9	117.1	0	0	111.5	R315 L329 A354 D355 E361 L362	R315-E358 WeakPolarHBondContact CB-OE2 2.95Å; R315-E358 IonicContact CZ-OE1 3.42Å; R315-E358 VanDerWaalsContact CZ-OE1 3.3Å; R315-E358 IonicContact NE-OE1 2.7Å; R315-E358 PolarHBondContact NE-OE1 2.95Å; R315-E358 IonicContact NE-OE2 3.3Å; R315-E358 IonicContact NH2-OE1 2.85Å; R315-E358 PolarHBondContact NH2-OE1 3.43Å; L329-E358 HydrophobicContact CD1-CB 4.28Å; L329-E358 HydrophobicContact CD1-CG 4.28Å; A354-E358 HydrophobicContact CB-CB 3.99Å; D355-E358 PolarHBondContact O-N 3.14Å; D355-E358 PolarHBondContact OD1-N 3.42Å; E358-E361 PolarHBondContact O-N 3.35Å; E358-L362 VanDerWaalsContact O-CB 3.29Å; E358-L362 WeakPolarHBondContact O-CB 3.42Å; E358-L362 PolarHBondContact O-N 3.33Å
359	L	92.8	Very high	94.1	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-41.9	176.5	-78	171.5	0	0	0	112.4	T352 A354 D355 E356 E357 L362 K363 R371	T352-L359 HydrophobicContact CG2-CD2 3.59Å; A354-L359 HydrophobicContact CB-CD2 4.01Å; A354-L359 HydrophobicContact CB-CG 3.86Å; A354-L359 WeakPolarHBondContact O-CD1 3.14Å; D355-L359 VanDerWaalsContact O-CB 3.26Å; D355-L359 WeakPolarHBondContact O-CB 3.13Å; D355-L359 WeakPolarHBondContact O-CD1 3.26Å; D355-L359 WeakPolarHBondContact O-CG 3.35Å; D355-L359 PolarHBondContact O-N 2.92Å; E356-L359 PolarHBondContact O-N 3.37Å; E357-L359 VanDerWaalsContact C-N 3.26Å; E357-L359 PolarHBondContact O-N 3.29Å; L359-L362 PolarHBondContact O-N 2.88Å; L359-K363 WeakPolarHBondContact O-CB 3.35Å; L359-K363 WeakPolarHBondContact O-CG 3.45Å; L359-K363 PolarHBondContact O-N 2.78Å; L359-R371 VanDerWaalsContact CD1-NH1 3.28Å; L359-R371 VanDerWaalsContact CD2-NH1 3.32Å
360	E	93.9	Very high	93.9	Very high	112 Å²	112	56 Å²	56	52%	0.523	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-43.8	173.2	-79.9	-167.6	-172.2	0	0	111.7	E356 E357 K363 K364	E356-E360 WeakPolarHBondContact O-CG 3.27Å; E356-E360 PolarHBondContact O-N 2.56Å; E357-E360 PolarHBondContact O-N 3.47Å; E360-K363 PolarHBondContact O-N 3.41Å; E360-K364 WeakPolarHBondContact O-CD 3.28Å; E360-K364 WeakPolarHBondContact O-CG 3.42Å; E360-K364 PolarHBondContact O-N 2.94Å; E360-K364 IonicContact OE2-NZ 2.99Å; E360-K364 PolarHBondContact OE2-NZ 2.95Å
361	E	95.1	Very high	93.8	Very high	82 Å²	82	58.2 Å²	58.2	38%	0.383	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-48.7	174.8	-172.1	179.7	173.2	0	0	110.3	L329 E357 E358 K363 K364 I365	L329-E361 HydrophobicContact CD1-CB 4.2Å; L329-E361 HydrophobicContact CD1-CG 4.23Å; E357-E361 PolarHBondContact O-N 3.34Å; E358-E361 PolarHBondContact O-N 3.35Å; E361-K363 VanDerWaalsContact C-N 3.35Å; E361-K363 PolarHBondContact O-N 3Å; E361-K364 WeakPolarHBondContact O-CB 2.81Å; E361-K364 PolarHBondContact O-N 2.7Å; E361-I365 WeakPolarHBondContact O-CG1 3.3Å; E361-I365 PolarHBondContact O-N 2.86Å
362	L	94.5	Very high	93.8	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-57.9	-45	178.7	-176.7	61.1	0	0	0	111.8	V333 V350 E358 L359 K364 I365 L366 I369	V333-L362 HydrophobicContact CG2-CD1 3.54Å; V350-L362 HydrophobicContact CG1-CD2 4.33Å; E358-L362 VanDerWaalsContact O-CB 3.29Å; E358-L362 WeakPolarHBondContact O-CB 3.42Å; E358-L362 PolarHBondContact O-N 3.33Å; L359-L362 PolarHBondContact O-N 2.88Å; L362-K364 VanDerWaalsContact C-N 3.31Å; L362-K364 PolarHBondContact O-N 3.1Å; L362-I365 HydrophobicContact CD1-CD1 4.49Å; L362-I365 HydrophobicContact CD1-CG1 4.48Å; L362-I365 WeakPolarHBondContact O-CG1 3.12Å; L362-I365 PolarHBondContact O-N 2.92Å; L362-L366 HydrophobicContact CD1-CB 4.4Å; L362-L366 HydrophobicContact CD1-CD2 4.48Å; L362-L366 WeakPolarHBondContact O-CA 3.39Å; L362-L366 WeakPolarHBondContact O-CB 3.5Å; L362-L366 PolarHBondContact O-N 3.38Å; L362-I369 HydrophobicContact CD2-CD1 3.6Å; L362-I369 HydrophobicContact CG-CD1 3.89Å
363	K	94.6	Very high	93.7	Very high	87 Å²	87	63.9 Å²	63.9	38%	0.378	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-36	175.5	-75.1	176.1	-179.8	-178.1	0	111.9	L359 E360 E361 L366 P367 I369 E373	L359-K363 WeakPolarHBondContact O-CB 3.35Å; L359-K363 WeakPolarHBondContact O-CG 3.45Å; L359-K363 PolarHBondContact O-N 2.78Å; E360-K363 PolarHBondContact O-N 3.41Å; E361-K363 VanDerWaalsContact C-N 3.35Å; E361-K363 PolarHBondContact O-N 3Å; K363-L366 CarbonylContact O-C 3.58Å; K363-P367 WeakPolarHBondContact O-CA 3.21Å; K363-I369 HydrophobicContact CG-CG2 3.87Å; K363-E373 IonicContact NZ-OE1 2.7Å; K363-E373 PolarHBondContact NZ-OE1 2.82Å; K363-E373 IonicContact NZ-OE2 3.1Å
364	K	95.5	Very high	93.7	Very high	148 Å²	148	64.7 Å²	64.7	64%	0.643	32%	0.316	S	S	*	.	H	α-helix	trans	-67	-41.7	175.9	-71	161.1	-169.3	157	0	111.9	E360 E361 L362	E360-K364 WeakPolarHBondContact O-CD 3.28Å; E360-K364 WeakPolarHBondContact O-CG 3.42Å; E360-K364 PolarHBondContact O-N 2.94Å; E360-K364 IonicContact OE2-NZ 2.99Å; E360-K364 PolarHBondContact OE2-NZ 2.95Å; E361-K364 WeakPolarHBondContact O-CB 2.81Å; E361-K364 PolarHBondContact O-N 2.7Å; L362-K364 VanDerWaalsContact C-N 3.31Å; L362-K364 PolarHBondContact O-N 3.1Å
365	I	96.3	Very high	93.7	Very high	44 Å²	44	67.5 Å²	67.5	23%	0.226	33%	0.332	C	S	.	.	H	α-helix	trans	-87.8	-21	-176.9	62.1	169.9	0	0	0	114.1	L329 V333 R337 E361 L362	L329-I365 HydrophobicContact CB-CD1 4.15Å; V333-I365 HydrophobicContact CB-CD1 4.01Å; V333-I365 HydrophobicContact CB-CG1 4.48Å; V333-I365 HydrophobicContact CG1-CD1 4.47Å; V333-I365 HydrophobicContact CG2-CD1 3.48Å; V333-I365 VanDerWaalsContact CG2-CD1 3.48Å; V333-I365 HydrophobicContact CG2-CG1 3.82Å; R337-I365 PolarHBondContact NH2-O 3.29Å; E361-I365 WeakPolarHBondContact O-CG1 3.3Å; E361-I365 PolarHBondContact O-N 2.86Å; L362-I365 HydrophobicContact CD1-CD1 4.49Å; L362-I365 HydrophobicContact CD1-CG1 4.48Å; L362-I365 WeakPolarHBondContact O-CG1 3.12Å; L362-I365 PolarHBondContact O-N 2.92Å
366	L	94.6	Very high	93.8	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.342	C	S	.	.			trans	-134.1	72.1	179.5	-172.5	76.9	0	0	0	110.2	V333 I336 R337 V348 L362 K363 E368 I369	V333-L366 HydrophobicContact CG1-CB 4.19Å; V333-L366 HydrophobicContact CG1-CD1 4.06Å; V333-L366 HydrophobicContact CG2-CB 3.92Å; V333-L366 HydrophobicContact CG2-CD2 4.38Å; I336-L366 HydrophobicContact CD1-CD2 4.03Å; I336-L366 HydrophobicContact CG2-CD1 3.97Å; I336-L366 HydrophobicContact CG2-CD2 4.09Å; R337-L366 HydrophobicContact CG-CD1 4.39Å; V348-L366 HydrophobicContact CG1-CD2 4.01Å; V348-L366 HydrophobicContact CG1-CG 4.41Å; L362-L366 HydrophobicContact CD1-CB 4.4Å; L362-L366 HydrophobicContact CD1-CD2 4.48Å; L362-L366 WeakPolarHBondContact O-CA 3.39Å; L362-L366 WeakPolarHBondContact O-CB 3.5Å; L362-L366 PolarHBondContact O-N 3.38Å; K363-L366 CarbonylContact O-C 3.58Å; L366-E368 VanDerWaalsContact CD1-CD 3.43Å; L366-E368 HydrophobicContact CD1-CG 3.8Å; L366-E368 WeakPolarHBondContact CD1-OE1 3.41Å; L366-E368 HydrophobicContact CG-CG 4.09Å; L366-E368 PolarHBondContact O-N 3.42Å; L366-I369 HydrophobicContact CD2-CB 4.22Å; L366-I369 HydrophobicContact CG-CB 4.43Å; L366-I369 VanDerWaalsContact O-CB 3.31Å; L366-I369 WeakPolarHBondContact O-CB 3.37Å; L366-I369 WeakPolarHBondContact O-CG2 3.49Å; L366-I369 PolarHBondContact O-N 3.32Å
367	P	93.2	Very high	93.8	Very high	94 Å²	94	69.7 Å²	69.7	61%	0.61	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.9	-176	26.2	-35.8	0	0	0	114.2	K363 I369	K363-P367 WeakPolarHBondContact O-CA 3.21Å; P367-I369 PolarHBondContact O-N 3.45Å
368	E	90.8	Very high	93.8	Very high	60 Å²	60	65.2 Å²	65.2	28%	0.28	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	0.2	174.9	58.9	-92.3	-149.1	0	0	114.6	R337 M340 V348 L366 T370	R337-E368 IonicContact CZ-OE1 3.13Å; R337-E368 IonicContact NE-OE1 3.6Å; R337-E368 PolarHBondContact NE-OE1 3.43Å; R337-E368 IonicContact NH2-OE1 3.68Å; R337-E368 IonicContact NH2-OE2 3.2Å; M340-E368 HydrophobicContact CE-CG 4.35Å; V348-E368 HydrophobicContact CG1-CG 3.99Å; L366-E368 VanDerWaalsContact CD1-CD 3.43Å; L366-E368 HydrophobicContact CD1-CG 3.8Å; L366-E368 WeakPolarHBondContact CD1-OE1 3.41Å; L366-E368 HydrophobicContact CG-CG 4.09Å; L366-E368 PolarHBondContact O-N 3.42Å; E368-T370 PolarHBondContact O-N 3.21Å
369	I	93.7	Very high	93.9	Very high	25 Å²	25	65.2 Å²	65.2	13%	0.128	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	130	-179	-169	171.9	0	0	0	112.6	V350 L362 K363 L366 P367 R371	V350-I369 HydrophobicContact CB-CD1 3.71Å; V350-I369 HydrophobicContact CB-CG1 3.9Å; V350-I369 HydrophobicContact CG1-CD1 4.16Å; V350-I369 HydrophobicContact CG2-CD1 3.63Å; V350-I369 HydrophobicContact CG2-CG1 3.6Å; L362-I369 HydrophobicContact CD2-CD1 3.6Å; L362-I369 HydrophobicContact CG-CD1 3.89Å; K363-I369 HydrophobicContact CG-CG2 3.87Å; L366-I369 HydrophobicContact CD2-CB 4.22Å; L366-I369 HydrophobicContact CG-CB 4.43Å; L366-I369 VanDerWaalsContact O-CB 3.31Å; L366-I369 WeakPolarHBondContact O-CB 3.37Å; L366-I369 WeakPolarHBondContact O-CG2 3.49Å; L366-I369 PolarHBondContact O-N 3.32Å; P367-I369 PolarHBondContact O-N 3.45Å; I369-R371 HydrophobicContact CD1-CG 4.05Å; I369-R371 HydrophobicContact CG1-CG 3.96Å
370	T	96.2	Very high	93.8	Very high	31 Å²	31	68.8 Å²	68.8	19%	0.19	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.6	169	-48	0	0	0	0	108.8	F273 L278 V348 F349 V350 E368	F273-T370 HydrophobicContact CE1-CG2 4.04Å; F273-T370 HydrophobicContact CZ-CG2 3.74Å; L278-T370 HydrophobicContact CD2-CG2 4.04Å; V348-T370 WeakPolarHBondContact O-CB 3.25Å; V348-T370 PolarHBondContact O-N 3Å; F349-T370 VanDerWaalsContact CA-O 3.32Å; F349-T370 WeakPolarHBondContact CA-O 3.26Å; F349-T370 WeakPolarHBondContact CD2-O 3.5Å; V350-T370 PolarHBondContact N-O 2.9Å; E368-T370 PolarHBondContact O-N 3.21Å
371	R	96.3	Very high	93.7	Very high	46 Å²	46	68.8 Å²	68.8	17%	0.174	34%	0.335	C	S	.	.			trans	-136.4	151.6	178.9	-63.4	-174.8	62.9	-139.8	12	110.6	F273 V350 T352 L359 I369 E373	F273-R371 WeakPolarHBondContact CE2-O 3.44Å; F273-R371 VanDerWaalsContact CZ-O 3.29Å; F273-R371 WeakPolarHBondContact CZ-O 3.42Å; V350-R371 HydrophobicContact CB-CG 4.46Å; V350-R371 WeakPolarHBondContact O-CG 3.41Å; T352-R371 PolarHBondContact O-NH2 3.28Å; L359-R371 VanDerWaalsContact CD1-NH1 3.28Å; L359-R371 VanDerWaalsContact CD2-NH1 3.32Å; I369-R371 HydrophobicContact CD1-CG 4.05Å; I369-R371 HydrophobicContact CG1-CG 3.96Å; R371-E373 HydrophobicContact CB-CG 4.14Å; R371-E373 IonicContact NH1-OE1 3.81Å; R371-E373 PolarHBondContact NH1-OE1 3.2Å; R371-E373 PolarHBondContact O-N 3.29Å
372	F	96.3	Very high	93.7	Very high	24 Å²	24	65 Å²	65	11%	0.105	32%	0.317	C	S	.	.			trans	-81.9	110	167.2	-177.2	-106.7	0	0	0	108.1	F273 F349 P374 L382 V387 V390 I394	F273-F372 AromaticContact CD2-CD2 3.64Å; F273-F372 HydrophobicContact CD2-CD2 3.64Å; F273-F372 HydrophobicContact CD2-CE2 4.44Å; F273-F372 HydrophobicContact CE2-CB 4.21Å; F273-F372 HydrophobicContact CE2-CD2 4.02Å; F273-F372 HydrophobicContact CG-CD2 4.24Å; F273-F372 HydrophobicContact CZ-CB 4.42Å; F349-F372 HydrophobicContact CE2-CB 4.18Å; F349-F372 HydrophobicContact CZ-CB 4.23Å; F372-P374 HydrophobicContact CE1-CB 4.07Å; F372-P374 HydrophobicContact CE1-CG 4.37Å; F372-P374 HydrophobicContact CZ-CB 4.34Å; F372-L382 HydrophobicContact CE1-CD1 4.24Å; F372-L382 HydrophobicContact CZ-CD1 4.1Å; F372-V387 HydrophobicContact CD1-CG1 4.12Å; F372-V387 HydrophobicContact CE1-CG1 4.28Å; F372-V387 HydrophobicContact CE1-CG2 4.43Å; F372-V390 HydrophobicContact CD1-CB 4.23Å; F372-V390 HydrophobicContact CD1-CG1 3.78Å; F372-V390 HydrophobicContact CD2-CG1 3.9Å; F372-V390 HydrophobicContact CE1-CB 4.13Å; F372-V390 HydrophobicContact CE1-CG1 3.85Å; F372-V390 HydrophobicContact CE1-CG2 4.5Å; F372-V390 HydrophobicContact CE2-CG1 3.98Å; F372-V390 HydrophobicContact CG-CG1 3.81Å; F372-V390 HydrophobicContact CZ-CG1 3.96Å; F372-I394 HydrophobicContact CB-CD1 4.25Å
373	E	94	Very high	93.7	Very high	111 Å²	111	66.9 Å²	66.9	52%	0.519	33%	0.325	S	S	.	.			trans	-116.9	94.8	179.4	-66.7	-178.2	161	0	0	106.9	K363 R371	K363-E373 IonicContact NZ-OE1 2.7Å; K363-E373 PolarHBondContact NZ-OE1 2.82Å; K363-E373 IonicContact NZ-OE2 3.1Å; R371-E373 HydrophobicContact CB-CG 4.14Å; R371-E373 IonicContact NH1-OE1 3.81Å; R371-E373 PolarHBondContact NH1-OE1 3.2Å; R371-E373 PolarHBondContact O-N 3.29Å
374	P	92.6	Very high	93.7	Very high	37 Å²	37	63.6 Å²	63.6	24%	0.24	31%	0.312	C	S	.	.			trans	-66.4	149.5	-178	29.1	-35.7	0	0	0	110.7	F372 D378 L379 V387	F372-P374 HydrophobicContact CE1-CB 4.07Å; F372-P374 HydrophobicContact CE1-CG 4.37Å; F372-P374 HydrophobicContact CZ-CB 4.34Å; P374-D378 HydrophobicContact CB-CB 3.9Å; P374-L379 HydrophobicContact CB-CB 4.44Å; P374-L379 HydrophobicContact CG-CB 4.34Å; P374-L379 HydrophobicContact CG-CD1 4.21Å; P374-V387 HydrophobicContact CB-CG2 4.35Å; P374-V387 HydrophobicContact CG-CG1 4.29Å; P374-V387 HydrophobicContact CG-CG2 3.82Å
375	T	93.3	Very high	93.7	Very high	68 Å²	68	56.6 Å²	56.6	42%	0.417	28%	0.281	S	S	.	.			trans	-67.7	169.6	166.8	78	0	0	0	0	110.1	E377 D378 L379	T375-E377 VanDerWaalsContact C-N 3.27Å; T375-E377 VanDerWaalsContact CB-OE2 3.26Å; T375-E377 WeakPolarHBondContact CB-OE2 3.46Å; T375-E377 PolarHBondContact O-N 3.01Å; T375-E377 PolarHBondContact OG1-N 3.28Å; T375-E377 PolarHBondContact OG1-OE2 3.43Å; T375-D378 PolarHBondContact O-N 3.34Å; T375-D378 PolarHBondContact OG1-N 2.91Å; T375-D378 VanDerWaalsContact OG1-N 3.17Å; T375-L379 VanDerWaalsContact O-CB 3.28Å; T375-L379 WeakPolarHBondContact O-CB 3.33Å; T375-L379 PolarHBondContact O-N 2.88Å
376	W	91.4	Very high	93.7	Very high	153 Å²	153	54.5 Å²	54.5	58%	0.58	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-37.5	176.5	-170.1	82.8	0	0	0	111.7	L379 E380	W376-L379 PolarHBondContact O-N 3.41Å; W376-E380 PolarHBondContact O-N 2.99Å
377	E	91.8	Very high	93.8	Very high	129 Å²	129	55.5 Å²	55.5	60%	0.603	28%	0.277	S	S	*	.	H	α-helix	trans	-65.6	-44.4	175.2	-55.3	84.3	-178.2	0	0	112	T375 L379 E380 L381	T375-E377 VanDerWaalsContact C-N 3.27Å; T375-E377 VanDerWaalsContact CB-OE2 3.26Å; T375-E377 WeakPolarHBondContact CB-OE2 3.46Å; T375-E377 PolarHBondContact O-N 3.01Å; T375-E377 PolarHBondContact OG1-N 3.28Å; T375-E377 PolarHBondContact OG1-OE2 3.43Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 3.27Å; E377-E380 PolarHBondContact O-N 3.1Å; E377-L381 PolarHBondContact O-N 2.88Å
378	D	91.8	Very high	94	Very high	65 Å²	65	51.9 Å²	51.9	35%	0.348	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-40.2	175.8	-73.8	-23.4	0	0	0	110.8	P374 T375 E380 L381 L382	P374-D378 HydrophobicContact CB-CB 3.9Å; T375-D378 PolarHBondContact O-N 3.34Å; T375-D378 PolarHBondContact OG1-N 2.91Å; T375-D378 VanDerWaalsContact OG1-N 3.17Å; D378-E380 VanDerWaalsContact C-N 3.35Å; D378-E380 PolarHBondContact O-N 3.46Å; D378-L381 PolarHBondContact O-N 2.72Å; D378-L382 HydrophobicContact CB-CD1 4.27Å; D378-L382 VanDerWaalsContact O-CB 3.25Å; D378-L382 WeakPolarHBondContact O-CB 3.28Å; D378-L382 WeakPolarHBondContact O-CG 3.28Å; D378-L382 PolarHBondContact O-N 2.98Å
379	L	92.4	Very high	94.3	Very high	32 Å²	32	49 Å²	49	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-38.2	177.6	-174.8	64.3	0	0	0	111.9	I117 P374 T375 W376 E377 L381 K383 V387	I117-L379 HydrophobicContact CD1-CB 4.23Å; I117-L379 HydrophobicContact CD1-CD2 3.77Å; I117-L379 HydrophobicContact CD1-CG 3.51Å; P374-L379 HydrophobicContact CB-CB 4.44Å; P374-L379 HydrophobicContact CG-CB 4.34Å; P374-L379 HydrophobicContact CG-CD1 4.21Å; T375-L379 VanDerWaalsContact O-CB 3.28Å; T375-L379 WeakPolarHBondContact O-CB 3.33Å; T375-L379 PolarHBondContact O-N 2.88Å; W376-L379 PolarHBondContact O-N 3.41Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 3.27Å; L379-L381 VanDerWaalsContact C-N 3.31Å; L379-L381 PolarHBondContact O-N 2.68Å; L379-K383 VanDerWaalsContact O-CA 3.28Å; L379-K383 WeakPolarHBondContact O-CA 3.4Å; L379-K383 PolarHBondContact O-N 2.94Å; L379-V387 HydrophobicContact CD1-CG2 3.78Å
380	E	91.6	Very high	94.6	Very high	94 Å²	94	47.9 Å²	47.9	44%	0.439	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-35.9	173.7	-171.9	175.8	-158.1	0	0	111.8	W376 E377 D378 K383	W376-E380 PolarHBondContact O-N 2.99Å; E377-E380 PolarHBondContact O-N 3.1Å; D378-E380 VanDerWaalsContact C-N 3.35Å; D378-E380 PolarHBondContact O-N 3.46Å; E380-K383 VanDerWaalsContact O-CD 3.24Å; E380-K383 WeakPolarHBondContact O-CD 3.44Å; E380-K383 WeakPolarHBondContact O-CE 3.38Å; E380-K383 PolarHBondContact O-NZ 2.79Å
381	L	92.8	Very high	94.7	Very high	112 Å²	112	47.2 Å²	47.2	59%	0.586	23%	0.231	S	C	*	.	H	α-helix	trans	-75.3	-53.5	177.1	-179.2	64.1	0	0	0	112.1	E377 D378 L379 K383	E377-L381 PolarHBondContact O-N 2.88Å; D378-L381 PolarHBondContact O-N 2.72Å; L379-L381 VanDerWaalsContact C-N 3.31Å; L379-L381 PolarHBondContact O-N 2.68Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-K383 PolarHBondContact O-N 2.7Å
382	L	93.9	Very high	94.8	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-74.7	-26.4	-172.1	-59.3	175.7	0	0	0	112.4	L266 L269 F372 D378 G386 V387	L266-L382 HydrophobicContact CD2-CD2 3.57Å; L269-L382 HydrophobicContact CD1-CD1 4.06Å; L269-L382 HydrophobicContact CD1-CD2 3.45Å; L269-L382 VanDerWaalsContact CD1-CD2 3.45Å; L269-L382 HydrophobicContact CD1-CG 4.35Å; F372-L382 HydrophobicContact CE1-CD1 4.24Å; F372-L382 HydrophobicContact CZ-CD1 4.1Å; D378-L382 HydrophobicContact CB-CD1 4.27Å; D378-L382 VanDerWaalsContact O-CB 3.25Å; D378-L382 WeakPolarHBondContact O-CB 3.28Å; D378-L382 WeakPolarHBondContact O-CG 3.28Å; D378-L382 PolarHBondContact O-N 2.98Å; L382-G386 WeakPolarHBondContact O-CA 3.41Å; L382-G386 PolarHBondContact O-N 3.44Å; L382-V387 HydrophobicContact CB-CG2 4.16Å; L382-V387 HydrophobicContact CD1-CG2 4.36Å
383	K	94.8	Very high	94.9	Very high	42 Å²	42	44.1 Å²	44.1	18%	0.183	22%	0.219	C	C	.	.	H	α-helix	trans	57.9	175.4	-169.1	-45.2	-62.7	-174.6	-168.3	0	110.4	I117 Q119 I122 F127 L379 E380 L381 G385 G386 V387	I117-K383 HydrophobicContact CG2-CD 3.95Å; Q119-K383 HydrophobicContact CG-CD 4.26Å; I122-K383 HydrophobicContact CD1-CB 4.25Å; I122-K383 HydrophobicContact CD1-CG 4.03Å; F127-K383 HydrophobicContact CZ-CB 4.41Å; L379-K383 VanDerWaalsContact O-CA 3.28Å; L379-K383 WeakPolarHBondContact O-CA 3.4Å; L379-K383 PolarHBondContact O-N 2.94Å; E380-K383 VanDerWaalsContact O-CD 3.24Å; E380-K383 WeakPolarHBondContact O-CD 3.44Å; E380-K383 WeakPolarHBondContact O-CE 3.38Å; E380-K383 PolarHBondContact O-NZ 2.79Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-K383 PolarHBondContact O-N 2.7Å; K383-G385 PolarHBondContact O-N 3.08Å; K383-G386 PolarHBondContact O-N 2.78Å; K383-V387 WeakPolarHBondContact O-CG2 3.2Å; K383-V387 PolarHBondContact O-N 3.48Å
384	D	93.9	Very high	95.2	Very high	18 Å²	18	38.8 Å²	38.8	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-30.6	-178	-68.5	-21.6	0	0	0	111.9	W112 Q113 S114 Q119 A388	W112-D384 WeakPolarHBondContact CA-OD2 3.29Å; W112-D384 HydrophobicContact CB-CB 4.17Å; W112-D384 WeakPolarHBondContact CB-OD2 3.28Å; W112-D384 HydrophobicContact CD2-CB 4.37Å; W112-D384 HydrophobicContact CG-CB 3.83Å; Q113-D384 PolarHBondContact N-OD2 2.88Å; S114-D384 WeakPolarHBondContact CB-OD1 3.11Å; S114-D384 PolarHBondContact N-OD2 3.4Å; S114-D384 PolarHBondContact OG-OD1 2.82Å; Q119-D384 PolarHBondContact NE2-OD2 2.88Å; D384-A388 VanDerWaalsContact O-CB 3.3Å; D384-A388 WeakPolarHBondContact O-CB 3.2Å; D384-A388 PolarHBondContact O-N 3.21Å
385	G	95.2	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-41.8	175.6	0	0	0	0	0	113.4	K383 A388 I389	K383-G385 PolarHBondContact O-N 3.08Å; G385-A388 PolarHBondContact O-N 2.82Å; G385-I389 WeakPolarHBondContact O-CG1 3.36Å; G385-I389 PolarHBondContact O-N 3.06Å
386	G	97.1	Very high	95.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.7	-42.9	178.5	0	0	0	0	0	111.8	F127 L382 K383 A388 I389 V390	F127-G386 VanDerWaalsContact CE1-N 3.29Å; L382-G386 WeakPolarHBondContact O-CA 3.41Å; L382-G386 PolarHBondContact O-N 3.44Å; K383-G386 PolarHBondContact O-N 2.78Å; G386-A388 VanDerWaalsContact C-N 3.33Å; G386-A388 PolarHBondContact O-N 3.48Å; G386-I389 PolarHBondContact O-N 3.48Å; G386-I389 VanDerWaalsContact O-N 3.13Å; G386-V390 WeakPolarHBondContact O-CG2 3.36Å; G386-V390 PolarHBondContact O-N 3.32Å
387	V	97	Very high	96.1	Very high	21 Å²	21	26.5 Å²	26.5	13%	0.127	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-46.6	173.5	177.4	0	0	0	0	110.9	F372 P374 L379 L382 K383 I389 V390 D391	F372-V387 HydrophobicContact CD1-CG1 4.12Å; F372-V387 HydrophobicContact CE1-CG1 4.28Å; F372-V387 HydrophobicContact CE1-CG2 4.43Å; P374-V387 HydrophobicContact CB-CG2 4.35Å; P374-V387 HydrophobicContact CG-CG1 4.29Å; P374-V387 HydrophobicContact CG-CG2 3.82Å; L379-V387 HydrophobicContact CD1-CG2 3.78Å; L382-V387 HydrophobicContact CB-CG2 4.16Å; L382-V387 HydrophobicContact CD1-CG2 4.36Å; K383-V387 WeakPolarHBondContact O-CG2 3.2Å; K383-V387 PolarHBondContact O-N 3.48Å; V387-I389 VanDerWaalsContact C-N 3.3Å; V387-I389 PolarHBondContact O-N 3.31Å; V387-V390 PolarHBondContact O-N 3.48Å; V387-D391 PolarHBondContact O-N 3.38Å
388	A	96.9	Very high	96.4	Very high	19 Å²	19	20.4 Å²	20.4	16%	0.157	11%	0.106	C	C	.	.	H	α-helix	trans	-59.6	-38.2	176	0	0	0	0	0	112.7	D384 G385 G386 Q392 F409	D384-A388 VanDerWaalsContact O-CB 3.3Å; D384-A388 WeakPolarHBondContact O-CB 3.2Å; D384-A388 PolarHBondContact O-N 3.21Å; G385-A388 PolarHBondContact O-N 2.82Å; G386-A388 VanDerWaalsContact C-N 3.33Å; G386-A388 PolarHBondContact O-N 3.48Å; A388-Q392 VanDerWaalsContact O-CG 3.26Å; A388-Q392 WeakPolarHBondContact O-CG 3.31Å; A388-Q392 PolarHBondContact O-N 3.22Å; A388-F409 HydrophobicContact CB-CE2 3.92Å
389	I	98.4	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.6	-42.5	175.6	-76.1	172	0	0	0	111.4	F76 F127 F128 F262 L266 G385 G386 V387 D391 Q392 W393	F76-I389 HydrophobicContact CE1-CD1 4.12Å; F76-I389 HydrophobicContact CE1-CG1 3.99Å; F76-I389 HydrophobicContact CZ-CD1 3.93Å; F76-I389 HydrophobicContact CZ-CG1 4.31Å; F127-I389 HydrophobicContact CB-CD1 3.61Å; F127-I389 HydrophobicContact CD1-CD1 4.25Å; F127-I389 HydrophobicContact CG-CD1 4.09Å; F128-I389 HydrophobicContact CZ-CD1 4.25Å; F262-I389 HydrophobicContact CB-CG2 3.88Å; F262-I389 HydrophobicContact CD1-CB 4.3Å; F262-I389 HydrophobicContact CD1-CD1 3.8Å; F262-I389 HydrophobicContact CD1-CG1 3.9Å; F262-I389 HydrophobicContact CD1-CG2 3.46Å; F262-I389 VanDerWaalsContact CD1-CG2 3.46Å; F262-I389 HydrophobicContact CD2-CG2 3.71Å; F262-I389 HydrophobicContact CE1-CB 4.29Å; F262-I389 HydrophobicContact CE1-CD1 4.01Å; F262-I389 HydrophobicContact CE1-CG1 3.7Å; F262-I389 HydrophobicContact CE1-CG2 3.8Å; F262-I389 HydrophobicContact CE2-CG2 4.03Å; F262-I389 HydrophobicContact CG-CG2 3.41Å; F262-I389 VanDerWaalsContact CG-CG2 3.41Å; F262-I389 HydrophobicContact CZ-CG1 4.35Å; F262-I389 HydrophobicContact CZ-CG2 4.06Å; L266-I389 HydrophobicContact CB-CG2 3.99Å; L266-I389 HydrophobicContact CD1-CB 3.97Å; L266-I389 HydrophobicContact CD1-CD1 3.85Å; L266-I389 HydrophobicContact CD1-CG2 3.69Å; L266-I389 HydrophobicContact CG-CG2 4.43Å; G385-I389 WeakPolarHBondContact O-CG1 3.36Å; G385-I389 PolarHBondContact O-N 3.06Å; G386-I389 PolarHBondContact O-N 3.48Å; G386-I389 VanDerWaalsContact O-N 3.13Å; V387-I389 VanDerWaalsContact C-N 3.3Å; V387-I389 PolarHBondContact O-N 3.31Å; I389-D391 VanDerWaalsContact C-N 3.33Å; I389-D391 PolarHBondContact O-N 2.78Å; I389-Q392 PolarHBondContact O-N 3.17Å; I389-W393 WeakPolarHBondContact O-CB 3.37Å; I389-W393 PolarHBondContact O-N 2.83Å
390	V	98.6	Very high	97	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.5	-45.3	177	172.5	0	0	0	0	110.3	L266 L269 F372 G386 V387 Q392 W393 I394	L266-V390 HydrophobicContact CB-CG2 4.38Å; L266-V390 HydrophobicContact CD2-CG2 4.15Å; L269-V390 HydrophobicContact CB-CG2 4.39Å; F372-V390 HydrophobicContact CD1-CB 4.23Å; F372-V390 HydrophobicContact CD1-CG1 3.78Å; F372-V390 HydrophobicContact CD2-CG1 3.9Å; F372-V390 HydrophobicContact CE1-CB 4.13Å; F372-V390 HydrophobicContact CE1-CG1 3.85Å; F372-V390 HydrophobicContact CE1-CG2 4.5Å; F372-V390 HydrophobicContact CE2-CG1 3.98Å; F372-V390 HydrophobicContact CG-CG1 3.81Å; F372-V390 HydrophobicContact CZ-CG1 3.96Å; G386-V390 WeakPolarHBondContact O-CG2 3.36Å; G386-V390 PolarHBondContact O-N 3.32Å; V387-V390 PolarHBondContact O-N 3.48Å; V390-Q392 VanDerWaalsContact C-N 3.35Å; V390-Q392 PolarHBondContact O-N 2.73Å; V390-W393 PolarHBondContact O-N 2.86Å; V390-I394 HydrophobicContact CG1-CD1 3.68Å; V390-I394 HydrophobicContact CG1-CG1 4.42Å; V390-I394 WeakPolarHBondContact O-CD1 3.43Å; V390-I394 VanDerWaalsContact O-CG1 3.28Å; V390-I394 WeakPolarHBondContact O-CG1 3.23Å; V390-I394 PolarHBondContact O-N 3.5Å
391	D	98.6	Very high	97.4	Very high	18 Å²	18	15.4 Å²	15.4	10%	0.096	8%	0.077	C	C	.	.	H	α-helix	trans	-56.8	-46.6	173.3	-88.6	-16.7	0	0	0	112.1	F349 A351 V387 I389 W393 I394 C395 F409	F349-D391 VanDerWaalsContact CZ-OD1 3.3Å; F349-D391 WeakPolarHBondContact CZ-OD1 3.3Å; A351-D391 HydrophobicContact CB-CB 3.79Å; V387-D391 PolarHBondContact O-N 3.38Å; I389-D391 VanDerWaalsContact C-N 3.33Å; I389-D391 PolarHBondContact O-N 2.78Å; D391-W393 PolarHBondContact O-N 2.82Å; D391-I394 PolarHBondContact O-N 2.83Å; D391-C395 WeakPolarHBondContact O-CB 3.43Å; D391-C395 PolarHBondContact O-N 3.39Å; D391-C395 PolarHBondContact O-SG 3.3Å; D391-C395 VanDerWaalsContact O-SG 3.41Å; D391-F409 HydrophobicContact CB-CZ 3.96Å
392	Q	98.8	Very high	97.6	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.009	5%	0.049	C	C	.	.	H	α-helix	trans	-63.4	-42	177.7	-71.9	177.6	11.4	0	0	112.4	N77 F262 A388 I389 V390 C395 A396 F409 I413	N77-Q392 PolarHBondContact ND2-NE2 3.2Å; N77-Q392 PolarHBondContact OD1-NE2 2.94Å; F262-Q392 HydrophobicContact CZ-CB 4.47Å; A388-Q392 VanDerWaalsContact O-CG 3.26Å; A388-Q392 WeakPolarHBondContact O-CG 3.31Å; A388-Q392 PolarHBondContact O-N 3.22Å; I389-Q392 PolarHBondContact O-N 3.17Å; V390-Q392 VanDerWaalsContact C-N 3.35Å; V390-Q392 PolarHBondContact O-N 2.73Å; Q392-C395 PolarHBondContact O-N 2.84Å; Q392-A396 VanDerWaalsContact O-CB 3.27Å; Q392-A396 WeakPolarHBondContact O-CB 3.45Å; Q392-A396 PolarHBondContact O-N 3.02Å; Q392-F409 HydrophobicContact CG-CD1 3.99Å; Q392-F409 HydrophobicContact CG-CD2 4.42Å; Q392-F409 HydrophobicContact CG-CE1 3.47Å; Q392-F409 VanDerWaalsContact CG-CE1 3.47Å; Q392-F409 HydrophobicContact CG-CE2 3.92Å; Q392-F409 HydrophobicContact CG-CG 4.45Å; Q392-F409 HydrophobicContact CG-CZ 3.41Å; Q392-F409 VanDerWaalsContact CG-CZ 3.41Å; Q392-F409 VanDerWaalsContact NE2-CD2 3.29Å; Q392-I413 HydrophobicContact CB-CG1 3.94Å; Q392-I413 HydrophobicContact CG-CD1 4.13Å; Q392-I413 HydrophobicContact CG-CG1 3.78Å
393	W	98.7	Very high	97.8	Very high	2 Å²	2	10 Å²	10	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-61.6	-47.6	178.4	-175.5	-104.2	0	0	0	110.8	F262 R267 D271 Y289 I389 V390 D391 A396 H397	F262-W393 AromaticContact CD2-CE3 3.73Å; F262-W393 HydrophobicContact CD2-CE3 3.73Å; F262-W393 HydrophobicContact CD2-CZ3 4.34Å; F262-W393 HydrophobicContact CE2-CE3 4.12Å; R267-W393 HydrophobicContact CB-CZ2 4.17Å; R267-W393 HydrophobicContact CG-CD2 4.18Å; R267-W393 HydrophobicContact CG-CE3 4.25Å; R267-W393 HydrophobicContact CG-CH2 4.07Å; R267-W393 HydrophobicContact CG-CZ2 4Å; R267-W393 HydrophobicContact CG-CZ3 4.19Å; D271-W393 PolarHBondContact OD1-NE1 2.75Å; Y289-W393 HydrophobicContact CD2-CH2 4.14Å; Y289-W393 HydrophobicContact CE2-CH2 4.34Å; I389-W393 WeakPolarHBondContact O-CB 3.37Å; I389-W393 PolarHBondContact O-N 2.83Å; V390-W393 PolarHBondContact O-N 2.86Å; D391-W393 PolarHBondContact O-N 2.82Å; W393-A396 PolarHBondContact O-N 2.88Å; W393-H397 AromaticContact CD2-CE1 3.53Å; W393-H397 AromaticContact CD2-ND1 3.9Å; W393-H397 AromaticContact CE2-CE1 3.29Å; W393-H397 AromaticContact CE2-ND1 3.85Å; W393-H397 AromaticContact CE3-CE1 3.73Å; W393-H397 AromaticContact CH2-CE1 3.56Å; W393-H397 AromaticContact CZ2-CE1 3.32Å; W393-H397 WeakPolarHBondContact CZ2-CE1 3.49Å; W393-H397 AromaticContact CZ2-NE2 3.81Å; W393-H397 AromaticContact CZ3-CE1 3.75Å; W393-H397 AromaticContact NE1-CE1 3.84Å; W393-H397 PolarHBondContact O-N 2.84Å; W393-H397 PolarHBondContact O-ND1 2.63Å
394	I	98.8	Very high	97.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-64.9	-43.2	177.3	-61.3	161	0	0	0	110.4	F273 R274 L278 Y308 F349 F372 V390 D391 A396 H397	F273-I394 HydrophobicContact CB-CD1 4.1Å; F273-I394 HydrophobicContact CD1-CD1 3.5Å; F273-I394 HydrophobicContact CD1-CG1 4.21Å; F273-I394 HydrophobicContact CD1-CG2 4.39Å; F273-I394 HydrophobicContact CE1-CD1 4.07Å; F273-I394 HydrophobicContact CG-CD1 3.85Å; R274-I394 HydrophobicContact CG-CG1 4.34Å; R274-I394 HydrophobicContact CG-CG2 4.37Å; L278-I394 HydrophobicContact CD1-CG2 3.48Å; L278-I394 VanDerWaalsContact CD1-CG2 3.48Å; Y308-I394 HydrophobicContact CE2-CG2 4.15Å; Y308-I394 WeakPolarHBondContact CE2-O 3.33Å; Y308-I394 PolarHBondContact OH-O 3.29Å; F349-I394 HydrophobicContact CB-CG2 4.29Å; F349-I394 HydrophobicContact CD1-CB 4.12Å; F349-I394 HydrophobicContact CD1-CG2 3.54Å; F349-I394 HydrophobicContact CD2-CG2 3.67Å; F349-I394 HydrophobicContact CE1-CB 3.73Å; F349-I394 HydrophobicContact CE1-CD1 4.47Å; F349-I394 HydrophobicContact CE1-CG2 3.64Å; F349-I394 HydrophobicContact CE2-CB 4.25Å; F349-I394 HydrophobicContact CE2-CD1 3.82Å; F349-I394 HydrophobicContact CE2-CG2 3.75Å; F349-I394 HydrophobicContact CG-CG2 3.54Å; F349-I394 HydrophobicContact CZ-CB 3.79Å; F349-I394 HydrophobicContact CZ-CD1 3.67Å; F349-I394 HydrophobicContact CZ-CG1 4.36Å; F349-I394 HydrophobicContact CZ-CG2 3.73Å; F372-I394 HydrophobicContact CB-CD1 4.25Å; V390-I394 HydrophobicContact CG1-CD1 3.68Å; V390-I394 HydrophobicContact CG1-CG1 4.42Å; V390-I394 WeakPolarHBondContact O-CD1 3.43Å; V390-I394 VanDerWaalsContact O-CG1 3.28Å; V390-I394 WeakPolarHBondContact O-CG1 3.23Å; V390-I394 PolarHBondContact O-N 3.5Å; D391-I394 PolarHBondContact O-N 2.83Å; I394-A396 VanDerWaalsContact C-N 3.32Å; I394-A396 PolarHBondContact O-N 2.89Å; I394-H397 PolarHBondContact O-N 3.07Å
395	C	98.8	Very high	97.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.2	-39	174.8	-78.1	0	0	0	0	112.7	D391 Q392 H397 A398 F401 I413	D391-C395 WeakPolarHBondContact O-CB 3.43Å; D391-C395 PolarHBondContact O-N 3.39Å; D391-C395 PolarHBondContact O-SG 3.3Å; D391-C395 VanDerWaalsContact O-SG 3.41Å; Q392-C395 PolarHBondContact O-N 2.84Å; C395-H397 PolarHBondContact O-N 2.85Å; C395-A398 WeakPolarHBondContact O-CB 3.36Å; C395-A398 PolarHBondContact O-N 2.76Å; C395-F401 HydrophobicContact CB-CD2 4Å; C395-F401 HydrophobicContact CB-CE2 3.81Å; C395-I413 HydrophobicContact CB-CD1 3.66Å; C395-I413 HydrophobicContact CB-CG1 4.26Å; C395-I413 HydrophobicContact CB-CG2 4.04Å
396	A	98.6	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.9	-29.5	-179.5	0	0	0	0	0	112.4	Q392 W393 I394 I413 E416 R417 L420 F422	Q392-A396 VanDerWaalsContact O-CB 3.27Å; Q392-A396 WeakPolarHBondContact O-CB 3.45Å; Q392-A396 PolarHBondContact O-N 3.02Å; W393-A396 PolarHBondContact O-N 2.88Å; I394-A396 VanDerWaalsContact C-N 3.32Å; I394-A396 PolarHBondContact O-N 2.89Å; A396-I413 HydrophobicContact CB-CG2 4.46Å; A396-E416 HydrophobicContact CB-CB 3.92Å; A396-E416 HydrophobicContact CB-CG 3.91Å; A396-R417 HydrophobicContact CB-CG 4.16Å; A396-R417 WeakPolarHBondContact O-CG 3.25Å; A396-R417 PolarHBondContact O-NH1 2.93Å; A396-L420 HydrophobicContact CB-CD1 4.16Å; A396-F422 WeakPolarHBondContact O-CE2 3.08Å; A396-F422 WeakPolarHBondContact O-CZ 3.41Å
397	H	98.8	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.1	-178.3	-70.9	82.7	0	0	0	115	R274 D282 T287 G305 G306 Y308 W393 I394 C395	R274-H397 PolarHBondContact NH1-CD2 3Å; R274-H397 PolarHBondContact NH2-CD2 2.71Å; R274-H397 VanDerWaalsContact NH2-CD2 3.32Å; D282-H397 IonicContact OD1-CD2 3.81Å; D282-H397 IonicContact OD1-NE2 2.87Å; T287-H397 PolarHBondContact OG1-CD2 3.35Å; G305-H397 CarbonylContact C-O 3.58Å; G305-H397 VanDerWaalsContact CA-O 3.25Å; G305-H397 WeakPolarHBondContact CA-O 3.46Å; G306-H397 PolarHBondContact N-O 2.98Å; Y308-H397 VanDerWaalsContact OH-C 3.24Å; Y308-H397 WeakPolarHBondContact OH-CB 3.38Å; W393-H397 AromaticContact CD2-CE1 3.53Å; W393-H397 AromaticContact CD2-ND1 3.9Å; W393-H397 AromaticContact CE2-CE1 3.29Å; W393-H397 AromaticContact CE2-ND1 3.85Å; W393-H397 AromaticContact CE3-CE1 3.73Å; W393-H397 AromaticContact CH2-CE1 3.56Å; W393-H397 AromaticContact CZ2-CE1 3.32Å; W393-H397 WeakPolarHBondContact CZ2-CE1 3.49Å; W393-H397 AromaticContact CZ2-NE2 3.81Å; W393-H397 AromaticContact CZ3-CE1 3.75Å; W393-H397 AromaticContact NE1-CE1 3.84Å; W393-H397 PolarHBondContact O-N 2.84Å; W393-H397 PolarHBondContact O-ND1 2.63Å; I394-H397 PolarHBondContact O-N 3.07Å; C395-H397 PolarHBondContact O-N 2.85Å
398	A	98.7	Very high	97.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	149.6	178.7	0	0	0	0	0	112.6	Y308 G310 C395 Y400 R417 F422	Y308-A398 HydrophobicContact CD2-CB 3.82Å; Y308-A398 HydrophobicContact CE2-CB 3.44Å; Y308-A398 VanDerWaalsContact CE2-CB 3.44Å; Y308-A398 PolarHBondContact OH-N 2.78Å; G310-A398 VanDerWaalsContact N-CB 3.27Å; C395-A398 WeakPolarHBondContact O-CB 3.36Å; C395-A398 PolarHBondContact O-N 2.76Å; A398-Y400 WeakPolarHBondContact CB-O 3.44Å; A398-Y400 PolarHBondContact O-N 3.05Å; A398-R417 PolarHBondContact O-NH1 3.18Å; A398-R417 PolarHBondContact O-NH2 3.26Å; A398-R417 VanDerWaalsContact O-NH2 3.15Å; A398-F422 VanDerWaalsContact O-CE1 3.26Å; A398-F422 WeakPolarHBondContact O-CE1 3.26Å
399	R	98.6	Very high	97.4	Very high	61 Å²	61	13.4 Å²	13.4	23%	0.23	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	-34.8	172.8	179.8	163	-56.1	158.3	9.5	112.8	G305 G306 Y308 L345 T426	G305-R399 PolarHBondContact O-NH2 3.41Å; G306-R399 WeakPolarHBondContact O-CB 3.33Å; G306-R399 PolarHBondContact O-N 2.93Å; G306-R399 VanDerWaalsContact O-N 3.1Å; Y308-R399 PolarHBondContact O-N 2.92Å; L345-R399 HydrophobicContact CD2-CB 4.22Å; R399-T426 WeakPolarHBondContact O-CB 3.45Å
400	Y	98.8	Very high	97.4	Very high	25 Å²	25	13.4 Å²	13.4	10%	0.098	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.9	175.5	-158.6	-76.2	0	0	0	108.8	L309 G310 L339 A398 K425 T426 N429	L309-Y400 HydrophobicContact CD1-CD1 3.89Å; L309-Y400 HydrophobicContact CD1-CG 4.29Å; G310-Y400 PolarHBondContact N-O 3.26Å; L339-Y400 HydrophobicContact CD1-CE1 4.34Å; L339-Y400 HydrophobicContact CD2-CE1 4.02Å; A398-Y400 WeakPolarHBondContact CB-O 3.44Å; A398-Y400 PolarHBondContact O-N 3.05Å; Y400-K425 PolarHBondContact OH-O 3.28Å; Y400-T426 HydrophobicContact CD2-CG2 3.94Å; Y400-T426 HydrophobicContact CE2-CG2 4.3Å; Y400-N429 HydrophobicContact CE1-CB 4.21Å; Y400-N429 WeakPolarHBondContact CE1-ND2 3.43Å; Y400-N429 VanDerWaalsContact OH-CG 3.28Å; Y400-N429 PolarHBondContact OH-ND2 3.48Å; Y400-N429 PolarHBondContact OH-OD1 2.82Å
401	F	98.8	Very high	97.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.1	176.3	177.7	-106.6	0	0	0	111.1	G310 H312 C395 I413 H414 T426 N429	G310-F401 WeakPolarHBondContact O-CA 3.35Å; G310-F401 WeakPolarHBondContact O-CD2 3.42Å; H312-F401 HydrophobicContact CB-CE2 3.95Å; H312-F401 HydrophobicContact CB-CZ 3.85Å; C395-F401 HydrophobicContact CB-CD2 4Å; C395-F401 HydrophobicContact CB-CE2 3.81Å; F401-I413 HydrophobicContact CD1-CG2 3.94Å; F401-I413 HydrophobicContact CD2-CG2 3.95Å; F401-I413 HydrophobicContact CE1-CB 4.08Å; F401-I413 HydrophobicContact CE1-CG2 3.74Å; F401-I413 HydrophobicContact CE2-CB 4.41Å; F401-I413 HydrophobicContact CE2-CD1 3.76Å; F401-I413 HydrophobicContact CE2-CG2 3.78Å; F401-I413 HydrophobicContact CG-CG2 4.03Å; F401-I413 HydrophobicContact CZ-CB 3.91Å; F401-I413 HydrophobicContact CZ-CD1 3.6Å; F401-I413 HydrophobicContact CZ-CG1 4.36Å; F401-I413 HydrophobicContact CZ-CG2 3.66Å; F401-H414 AromaticContact CD1-CD2 3.81Å; F401-H414 AromaticContact CE1-CD2 3.56Å; F401-H414 AromaticContact CE1-NE2 3.57Å; F401-T426 PolarHBondContact N-O 3.02Å; F401-N429 WeakPolarHBondContact O-CB 3.43Å; F401-N429 PolarHBondContact O-ND2 3Å
402	I	98.6	Very high	97.4	Very high	2 Å²	2	16 Å²	16	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.5	168.4	-175.9	166.9	0	0	0	109.7	L309 G310 V311 H312 K335 L339 N429 F431	L309-I402 HydrophobicContact CD1-CG2 4.46Å; G310-I402 PolarHBondContact O-N 3.02Å; V311-I402 WeakPolarHBondContact CA-O 3.26Å; V311-I402 HydrophobicContact CG2-CG2 3.93Å; H312-I402 PolarHBondContact N-O 2.94Å; K335-I402 HydrophobicContact CG-CD1 4.05Å; L339-I402 HydrophobicContact CD1-CB 4.19Å; L339-I402 HydrophobicContact CD1-CD1 3.72Å; L339-I402 HydrophobicContact CD1-CG2 3.99Å; I402-N429 HydrophobicContact CB-CB 4.27Å; I402-N429 HydrophobicContact CG1-CB 4.22Å; I402-F431 HydrophobicContact CB-CE2 4.46Å; I402-F431 HydrophobicContact CD1-CD1 3.8Å; I402-F431 HydrophobicContact CD1-CD2 4.24Å; I402-F431 HydrophobicContact CD1-CE1 3.85Å; I402-F431 HydrophobicContact CD1-CE2 4.26Å; I402-F431 HydrophobicContact CD1-CG 3.99Å; I402-F431 HydrophobicContact CD1-CZ 4.08Å; I402-F431 HydrophobicContact CG1-CD1 4.45Å; I402-F431 HydrophobicContact CG1-CD2 4Å; I402-F431 HydrophobicContact CG1-CE1 4.41Å; I402-F431 HydrophobicContact CG1-CE2 3.93Å; I402-F431 HydrophobicContact CG1-CG 4.23Å; I402-F431 HydrophobicContact CG1-CZ 4.15Å; I402-F431 HydrophobicContact CG2-CE1 4.37Å; I402-F431 HydrophobicContact CG2-CE2 3.89Å; I402-F431 HydrophobicContact CG2-CZ 3.65Å
403	G	97.8	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-103.5	-171.3	-179.2	0	0	0	0	0	113.9	H312 S410 N429 R430 F431	H312-G403 CarbonylContact O-C 3.53Å; G403-S410 VanDerWaalsContact CA-OG 3.3Å; G403-S410 WeakPolarHBondContact CA-OG 3.45Å; G403-N429 PolarHBondContact N-O 2.99Å; G403-R430 CarbonylContact O-C 3.59Å; G403-R430 VanDerWaalsContact O-CA 3.28Å; G403-R430 WeakPolarHBondContact O-CA 3.34Å; G403-F431 WeakPolarHBondContact O-CD2 3.16Å; G403-F431 PolarHBondContact O-N 3.16Å
404	T	96.2	Very high	97.4	Very high	4 Å²	4	16.3 Å²	16.3	3%	0.025	8%	0.081	C	C	.	.			trans	-103.2	145.2	173.7	-60.9	0	0	0	0	109.9	H312 L313 R314 F318 V326 V406 S407 S410	H312-T404 PolarHBondContact O-N 3.03Å; H312-T404 PolarHBondContact O-OG1 2.99Å; L313-T404 WeakPolarHBondContact CA-OG1 3.45Å; R314-T404 HydrophobicContact CB-CG2 3.83Å; R314-T404 PolarHBondContact N-OG1 3.01Å; F318-T404 HydrophobicContact CD1-CG2 4.03Å; F318-T404 HydrophobicContact CE1-CG2 3.92Å; V326-T404 HydrophobicContact CG2-CG2 4.04Å; T404-V406 PolarHBondContact O-N 2.92Å; T404-S407 PolarHBondContact O-N 2.92Å; T404-S410 PolarHBondContact N-OG 3.02Å; T404-S410 VanDerWaalsContact N-OG 3.07Å
405	S	92.8	Very high	97.3	Very high	7 Å²	7	16.7 Å²	16.7	5%	0.049	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	137.6	177	-169.8	0	0	0	0	111.7	F318 D325 S407	F318-S405 WeakPolarHBondContact CE1-O 3.32Å; F318-S405 WeakPolarHBondContact CZ-O 3.5Å; D325-S405 WeakPolarHBondContact OD2-CB 3.44Å; D325-S405 PolarHBondContact OD2-OG 3.05Å; S405-S407 PolarHBondContact O-N 3.44Å
406	V	91.3	Very high	97.3	Very high	80 Å²	80	17 Å²	17	49%	0.485	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	16.1	175.4	-56	0	0	0	0	117.5	F318 T404 T408	F318-V406 HydrophobicContact CE1-CG2 4.25Å; F318-V406 HydrophobicContact CZ-CG2 3.63Å; T404-V406 PolarHBondContact O-N 2.92Å; V406-T408 PolarHBondContact O-N 2.92Å
407	S	94.7	Very high	97.3	Very high	7 Å²	7	17 Å²	17	5%	0.049	9%	0.085	C	C	.	.			trans	-81.5	121.4	-178.8	-178.2	0	0	0	0	111.2	H312 T404 S405 F409 S410 F411	H312-S407 PolarHBondContact CE1-OG 3.23Å; H312-S407 VanDerWaalsContact CE1-OG 3.28Å; T404-S407 PolarHBondContact O-N 2.92Å; S405-S407 PolarHBondContact O-N 3.44Å; S407-F409 PolarHBondContact O-N 3.24Å; S407-F409 PolarHBondContact OG-N 2.87Å; S407-S410 WeakPolarHBondContact O-CB 3.26Å; S407-S410 PolarHBondContact O-N 2.95Å; S407-F411 WeakPolarHBondContact O-CD1 3.43Å; S407-F411 WeakPolarHBondContact O-CG 3.47Å; S407-F411 PolarHBondContact O-N 3.24Å
408	T	94.8	Very high	97.2	Very high	47 Å²	47	17 Å²	17	29%	0.288	9%	0.085	S	C	.	.	H	α-helix	trans	-60.6	-28.8	174.4	54.9	0	0	0	0	112.4	L78 V406 F411 R412	L78-T408 HydrophobicContact CB-CG2 4.35Å; L78-T408 HydrophobicContact CD1-CG2 3.99Å; V406-T408 PolarHBondContact O-N 2.92Å; T408-F411 HydrophobicContact CG2-CD2 4.41Å; T408-F411 PolarHBondContact O-N 3.21Å; T408-R412 WeakPolarHBondContact O-CG 3.23Å; T408-R412 PolarHBondContact O-N 3.08Å
409	F	96.9	Very high	97.2	Very high	26 Å²	26	17.2 Å²	17.2	11%	0.114	9%	0.086	C	C	.	.	H	α-helix	trans	-62.1	-46.5	171.6	-168.6	-74.9	0	0	0	111.3	N77 H312 A351 A388 D391 Q392 S407 R412 I413	N77-F409 VanDerWaalsContact ND2-CD2 3.3Å; N77-F409 WeakPolarHBondContact ND2-CD2 3.24Å; H312-F409 AromaticContact CD2-CD1 3.23Å; H312-F409 WeakPolarHBondContact CD2-CD1 3.36Å; H312-F409 AromaticContact CD2-CE1 3.45Å; H312-F409 VanDerWaalsContact CD2-CE1 3.45Å; H312-F409 WeakPolarHBondContact CD2-CE1 3.29Å; H312-F409 AromaticContact CD2-CG 3.97Å; H312-F409 AromaticContact CE1-CD1 3.79Å; H312-F409 AromaticContact CE1-CG 4Å; H312-F409 AromaticContact CG-CD1 3.68Å; H312-F409 AromaticContact NE2-CD1 3.31Å; H312-F409 VanDerWaalsContact NE2-CD1 3.31Å; H312-F409 WeakPolarHBondContact NE2-CD1 3.02Å; H312-F409 AromaticContact NE2-CE1 3.91Å; H312-F409 AromaticContact NE2-CG 3.55Å; A351-F409 HydrophobicContact CB-CE1 4.19Å; A351-F409 HydrophobicContact CB-CZ 4.42Å; A388-F409 HydrophobicContact CB-CE2 3.92Å; D391-F409 HydrophobicContact CB-CZ 3.96Å; Q392-F409 HydrophobicContact CG-CD1 3.99Å; Q392-F409 HydrophobicContact CG-CD2 4.42Å; Q392-F409 HydrophobicContact CG-CE1 3.47Å; Q392-F409 VanDerWaalsContact CG-CE1 3.47Å; Q392-F409 HydrophobicContact CG-CE2 3.92Å; Q392-F409 HydrophobicContact CG-CG 4.45Å; Q392-F409 HydrophobicContact CG-CZ 3.41Å; Q392-F409 VanDerWaalsContact CG-CZ 3.41Å; Q392-F409 VanDerWaalsContact NE2-CD2 3.29Å; S407-F409 PolarHBondContact O-N 3.24Å; S407-F409 PolarHBondContact OG-N 2.87Å; F409-R412 PolarHBondContact O-N 3.3Å; F409-I413 HydrophobicContact CD1-CD1 3.7Å; F409-I413 HydrophobicContact CD1-CG1 4.47Å; F409-I413 HydrophobicContact CE1-CD1 3.6Å; F409-I413 HydrophobicContact CE1-CG1 4.47Å; F409-I413 PolarHBondContact O-N 3.36Å
410	S	98.1	Very high	97.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.1	-39.1	173.9	-68.6	0	0	0	0	112.5	H312 G403 T404 S407 R412 I413 H414	H312-S410 PolarHBondContact ND1-OG 3.22Å; G403-S410 VanDerWaalsContact CA-OG 3.3Å; G403-S410 WeakPolarHBondContact CA-OG 3.45Å; T404-S410 PolarHBondContact N-OG 3.02Å; T404-S410 VanDerWaalsContact N-OG 3.07Å; S407-S410 WeakPolarHBondContact O-CB 3.26Å; S407-S410 PolarHBondContact O-N 2.95Å; S410-R412 VanDerWaalsContact C-N 3.31Å; S410-R412 PolarHBondContact O-N 3.16Å; S410-I413 WeakPolarHBondContact O-CB 3.31Å; S410-I413 PolarHBondContact O-N 2.89Å; S410-I413 VanDerWaalsContact O-N 3.12Å; S410-H414 PolarHBondContact O-CD2 3.07Å; S410-H414 VanDerWaalsContact O-CG 3.25Å; S410-H414 PolarHBondContact O-N 3.39Å
411	F	98.1	Very high	97	Very high	68 Å²	68	13.3 Å²	13.3	30%	0.298	7%	0.071	S	C	.	.	H	α-helix	trans	-60.3	-40.9	177.2	-61.7	-15.9	0	0	0	112.2	S407 T408 I413 H414 E415	S407-F411 WeakPolarHBondContact O-CD1 3.43Å; S407-F411 WeakPolarHBondContact O-CG 3.47Å; S407-F411 PolarHBondContact O-N 3.24Å; T408-F411 HydrophobicContact CG2-CD2 4.41Å; T408-F411 PolarHBondContact O-N 3.21Å; F411-I413 VanDerWaalsContact C-N 3.31Å; F411-I413 PolarHBondContact O-N 2.67Å; F411-H414 AromaticContact CD1-ND1 3.92Å; F411-H414 WeakPolarHBondContact O-CB 3.36Å; F411-H414 PolarHBondContact O-N 3.41Å; F411-E415 WeakPolarHBondContact O-CG 3.44Å; F411-E415 PolarHBondContact O-N 3.24Å; F411-E415 VanDerWaalsContact O-N 3.08Å
412	R	98.5	Very high	97	Very high	6 Å²	6	13.3 Å²	13.3	2%	0.023	7%	0.071	C	C	.	.	H	α-helix	trans	-64.9	-35	176	-65	-54.4	97.2	166.5	6.7	112.4	N77 D81 Y253 R257 T408 F409 S410 E415 E416	N77-R412 HydrophobicContact CB-CG 3.91Å; D81-R412 IonicContact OD1-CZ 2.8Å; D81-R412 IonicContact OD1-NH1 3.82Å; D81-R412 IonicContact OD1-NH2 3.44Å; D81-R412 PolarHBondContact OD1-NH2 3.38Å; Y253-R412 PolarHBondContact OH-NH2 3.2Å; R257-R412 PolarHBondContact NH2-O 2.83Å; T408-R412 WeakPolarHBondContact O-CG 3.23Å; T408-R412 PolarHBondContact O-N 3.08Å; F409-R412 PolarHBondContact O-N 3.3Å; S410-R412 VanDerWaalsContact C-N 3.31Å; S410-R412 PolarHBondContact O-N 3.16Å; R412-E415 WeakPolarHBondContact CD-OE2 3.23Å; R412-E415 IonicContact CZ-OE1 3.63Å; R412-E415 IonicContact CZ-OE2 2.87Å; R412-E415 IonicContact NE-OE1 3.66Å; R412-E415 IonicContact NE-OE2 3.33Å; R412-E415 PolarHBondContact NE-OE2 2.98Å; R412-E415 IonicContact NH1-OE1 3.21Å; R412-E415 IonicContact NH1-OE2 2.78Å; R412-E415 PolarHBondContact NH1-OE2 2.9Å; R412-E415 VanDerWaalsContact NH2-CD 3.35Å; R412-E415 IonicContact NH2-OE1 2.77Å; R412-E415 PolarHBondContact NH2-OE1 3.23Å; R412-E415 IonicContact NH2-OE2 2.88Å; R412-E415 PolarHBondContact NH2-OE2 2.79Å; R412-E416 PolarHBondContact O-N 2.97Å; R412-E416 VanDerWaalsContact O-N 3.09Å
413	I	98.8	Very high	96.9	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-67.4	-43.5	172.4	-62.7	166.2	0	0	0	111	H312 Q392 C395 A396 F401 F409 S410 F411 E415 E416 R417	H312-I413 HydrophobicContact CB-CD1 4.25Å; Q392-I413 HydrophobicContact CB-CG1 3.94Å; Q392-I413 HydrophobicContact CG-CD1 4.13Å; Q392-I413 HydrophobicContact CG-CG1 3.78Å; C395-I413 HydrophobicContact CB-CD1 3.66Å; C395-I413 HydrophobicContact CB-CG1 4.26Å; C395-I413 HydrophobicContact CB-CG2 4.04Å; A396-I413 HydrophobicContact CB-CG2 4.46Å; F401-I413 HydrophobicContact CD1-CG2 3.94Å; F401-I413 HydrophobicContact CD2-CG2 3.95Å; F401-I413 HydrophobicContact CE1-CB 4.08Å; F401-I413 HydrophobicContact CE1-CG2 3.74Å; F401-I413 HydrophobicContact CE2-CB 4.41Å; F401-I413 HydrophobicContact CE2-CD1 3.76Å; F401-I413 HydrophobicContact CE2-CG2 3.78Å; F401-I413 HydrophobicContact CG-CG2 4.03Å; F401-I413 HydrophobicContact CZ-CB 3.91Å; F401-I413 HydrophobicContact CZ-CD1 3.6Å; F401-I413 HydrophobicContact CZ-CG1 4.36Å; F401-I413 HydrophobicContact CZ-CG2 3.66Å; F409-I413 HydrophobicContact CD1-CD1 3.7Å; F409-I413 HydrophobicContact CD1-CG1 4.47Å; F409-I413 HydrophobicContact CE1-CD1 3.6Å; F409-I413 HydrophobicContact CE1-CG1 4.47Å; F409-I413 PolarHBondContact O-N 3.36Å; S410-I413 WeakPolarHBondContact O-CB 3.31Å; S410-I413 PolarHBondContact O-N 2.89Å; S410-I413 VanDerWaalsContact O-N 3.12Å; F411-I413 VanDerWaalsContact C-N 3.31Å; F411-I413 PolarHBondContact O-N 2.67Å; I413-E415 VanDerWaalsContact C-N 3.27Å; I413-E415 PolarHBondContact O-N 3.1Å; I413-E416 PolarHBondContact O-N 3.42Å; I413-R417 HydrophobicContact CG2-CG 4.24Å; I413-R417 VanDerWaalsContact O-CG 3.3Å; I413-R417 WeakPolarHBondContact O-CG 2.96Å; I413-R417 PolarHBondContact O-N 3.1Å
414	H	98.6	Very high	96.9	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.037	9%	0.094	C	C	.	.	H	α-helix	trans	-55.8	-45.6	177.7	-61.1	158.9	0	0	0	111.4	F401 S410 F411 R417 E418 T427 Y428	F401-H414 AromaticContact CD1-CD2 3.81Å; F401-H414 AromaticContact CE1-CD2 3.56Å; F401-H414 AromaticContact CE1-NE2 3.57Å; S410-H414 PolarHBondContact O-CD2 3.07Å; S410-H414 VanDerWaalsContact O-CG 3.25Å; S410-H414 PolarHBondContact O-N 3.39Å; F411-H414 AromaticContact CD1-ND1 3.92Å; F411-H414 WeakPolarHBondContact O-CB 3.36Å; F411-H414 PolarHBondContact O-N 3.41Å; H414-R417 PolarHBondContact O-N 3.3Å; H414-E418 PolarHBondContact O-N 3.08Å; H414-T427 HydrophobicContact CB-CG2 4.05Å; H414-T427 PolarHBondContact CD2-O 3.04Å; H414-T427 VanDerWaalsContact CD2-O 3.26Å; H414-T427 PolarHBondContact NE2-O 2.82Å; H414-Y428 HydrophobicContact CB-CD1 4.19Å; H414-Y428 HydrophobicContact CB-CE1 3.83Å
415	E	98.2	Very high	97	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-67.4	-38.7	178.7	-67.9	163.1	173.8	0	0	112.8	Y253 W254 R257 F411 R412 I413 R417 E418 I419	Y253-E415 PolarHBondContact OH-OE1 3.49Å; W254-E415 HydrophobicContact CH2-CB 4.19Å; W254-E415 HydrophobicContact CH2-CG 4.01Å; W254-E415 HydrophobicContact CZ3-CB 4.17Å; W254-E415 HydrophobicContact CZ3-CG 4.34Å; R257-E415 VanDerWaalsContact CD-OE2 3.3Å; R257-E415 WeakPolarHBondContact CD-OE2 3.18Å; R257-E415 HydrophobicContact CG-CB 4.3Å; R257-E415 IonicContact CZ-OE2 3.62Å; R257-E415 IonicContact NE-OE2 3.98Å; R257-E415 PolarHBondContact NE-OE2 3.12Å; R257-E415 IonicContact NH2-OE2 3.32Å; F411-E415 WeakPolarHBondContact O-CG 3.44Å; F411-E415 PolarHBondContact O-N 3.24Å; F411-E415 VanDerWaalsContact O-N 3.08Å; R412-E415 WeakPolarHBondContact CD-OE2 3.23Å; R412-E415 IonicContact CZ-OE1 3.63Å; R412-E415 IonicContact CZ-OE2 2.87Å; R412-E415 IonicContact NE-OE1 3.66Å; R412-E415 IonicContact NE-OE2 3.33Å; R412-E415 PolarHBondContact NE-OE2 2.98Å; R412-E415 IonicContact NH1-OE1 3.21Å; R412-E415 IonicContact NH1-OE2 2.78Å; R412-E415 PolarHBondContact NH1-OE2 2.9Å; R412-E415 VanDerWaalsContact NH2-CD 3.35Å; R412-E415 IonicContact NH2-OE1 2.77Å; R412-E415 PolarHBondContact NH2-OE1 3.23Å; R412-E415 IonicContact NH2-OE2 2.88Å; R412-E415 PolarHBondContact NH2-OE2 2.79Å; I413-E415 VanDerWaalsContact C-N 3.27Å; I413-E415 PolarHBondContact O-N 3.1Å; E415-R417 VanDerWaalsContact C-N 3.29Å; E415-R417 PolarHBondContact O-N 3.15Å; E415-E418 PolarHBondContact O-N 3.04Å; E415-I419 VanDerWaalsContact O-CG1 3.28Å; E415-I419 WeakPolarHBondContact O-CG1 2.96Å; E415-I419 PolarHBondContact O-N 2.82Å
416	E	98.1	Very high	97.2	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-40	176.7	-155.1	62.8	-148.3	0	0	110.8	R257 F262 A396 R412 I413 I419 L420	R257-E416 IonicContact CZ-OE2 2.71Å; R257-E416 VanDerWaalsContact CZ-OE2 3.3Å; R257-E416 IonicContact NH1-OE2 3.04Å; R257-E416 PolarHBondContact NH1-OE2 2.68Å; R257-E416 IonicContact NH2-OE2 3.59Å; R257-E416 PolarHBondContact NH2-OE2 3.41Å; F262-E416 HydrophobicContact CE2-CG 4.49Å; A396-E416 HydrophobicContact CB-CB 3.92Å; A396-E416 HydrophobicContact CB-CG 3.91Å; R412-E416 PolarHBondContact O-N 2.97Å; R412-E416 VanDerWaalsContact O-N 3.09Å; I413-E416 PolarHBondContact O-N 3.42Å; E416-I419 PolarHBondContact O-N 2.82Å; E416-L420 VanDerWaalsContact O-CG 3.3Å; E416-L420 WeakPolarHBondContact O-CG 3.07Å; E416-L420 PolarHBondContact O-N 3.4Å
417	R	98.4	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-37.6	174.2	-69	-179.3	66.9	80.1	-4	112.8	A396 A398 I413 H414 E415 L420 G421 F422 T426 T427	A396-R417 HydrophobicContact CB-CG 4.16Å; A396-R417 WeakPolarHBondContact O-CG 3.25Å; A396-R417 PolarHBondContact O-NH1 2.93Å; A398-R417 PolarHBondContact O-NH1 3.18Å; A398-R417 PolarHBondContact O-NH2 3.26Å; A398-R417 VanDerWaalsContact O-NH2 3.15Å; I413-R417 HydrophobicContact CG2-CG 4.24Å; I413-R417 VanDerWaalsContact O-CG 3.3Å; I413-R417 WeakPolarHBondContact O-CG 2.96Å; I413-R417 PolarHBondContact O-N 3.1Å; H414-R417 PolarHBondContact O-N 3.3Å; E415-R417 VanDerWaalsContact C-N 3.29Å; E415-R417 PolarHBondContact O-N 3.15Å; R417-L420 PolarHBondContact O-N 3.21Å; R417-G421 PolarHBondContact O-N 3.1Å; R417-F422 HydrophobicContact CB-CB 4.27Å; R417-F422 HydrophobicContact CB-CD2 4.07Å; R417-F422 HydrophobicContact CB-CG 4.42Å; R417-F422 HydrophobicContact CG-CD2 4.3Å; R417-F422 VanDerWaalsContact NH2-CD1 3.28Å; R417-F422 WeakPolarHBondContact O-CD2 3.43Å; R417-F422 PolarHBondContact O-N 2.61Å; R417-T426 PolarHBondContact NE-O 3.38Å; R417-T426 PolarHBondContact NH2-O 2.98Å; R417-T426 PolarHBondContact NH2-OG1 3.18Å; R417-T426 VanDerWaalsContact NH2-OG1 3.09Å; R417-T427 HydrophobicContact CB-CG2 3.66Å; R417-T427 WeakPolarHBondContact CB-OG1 3.15Å; R417-T427 HydrophobicContact CG-CG2 4.41Å; R417-T427 PolarHBondContact NE-OG1 2.72Å
418	E	97.6	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-40.5	175.2	-166.6	74.5	-177.4	0	0	110.9	W254 H414 E415 G421 Y428 H444 K446 I447	W254-E418 HydrophobicContact CH2-CB 3.99Å; W254-E418 HydrophobicContact CH2-CG 3.92Å; W254-E418 HydrophobicContact CZ2-CG 4.33Å; W254-E418 HydrophobicContact CZ3-CB 4.46Å; H414-E418 PolarHBondContact O-N 3.08Å; E415-E418 PolarHBondContact O-N 3.04Å; E418-G421 PolarHBondContact O-N 3.36Å; E418-G421 VanDerWaalsContact O-N 3.15Å; E418-Y428 PolarHBondContact OE2-OH 3.08Å; E418-H444 IonicContact OE1-CD2 2.75Å; E418-H444 IonicContact OE1-CE1 2.76Å; E418-H444 IonicContact OE1-NE2 3.28Å; E418-H444 PolarHBondContact OE1-NE2 2.95Å; E418-H444 IonicContact OE2-CD2 3.33Å; E418-H444 IonicContact OE2-NE2 2.71Å; E418-H444 PolarHBondContact OE2-NE2 2.78Å; E418-K446 WeakPolarHBondContact OE1-CA 3.31Å; E418-I447 HydrophobicContact CG-CB 3.69Å; E418-I447 HydrophobicContact CG-CG2 3.81Å; E418-I447 PolarHBondContact OE1-N 3.24Å
419	I	97	Very high	97.9	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-42.9	174.6	-67.8	165.5	0	0	0	111.5	W254 R257 R258 I296 N298 E415 E416 G421 I447	W254-I419 HydrophobicContact CZ3-CG1 4.17Å; R257-I419 HydrophobicContact CG-CD1 4.31Å; R258-I419 HydrophobicContact CG-CD1 3.99Å; R258-I419 HydrophobicContact CG-CG1 3.91Å; I296-I419 HydrophobicContact CG2-CG2 4.31Å; N298-I419 PolarHBondContact ND2-O 2.93Å; N298-I419 VanDerWaalsContact ND2-O 3.14Å; E415-I419 VanDerWaalsContact O-CG1 3.28Å; E415-I419 WeakPolarHBondContact O-CG1 2.96Å; E415-I419 PolarHBondContact O-N 2.82Å; E416-I419 PolarHBondContact O-N 2.82Å; I419-G421 PolarHBondContact O-N 3.36Å; I419-I447 HydrophobicContact CB-CD1 4.49Å; I419-I447 HydrophobicContact CG1-CD1 3.87Å
420	L	96.9	Very high	97.8	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-68.6	-15.1	176	-68.6	170.6	0	0	0	112.5	Y289 N298 A303 A396 E416 R417 F422	Y289-L420 HydrophobicContact CD2-CD2 4.2Å; N298-L420 PolarHBondContact ND2-O 3.29Å; A303-L420 WeakPolarHBondContact CB-O 3.41Å; A396-L420 HydrophobicContact CB-CD1 4.16Å; E416-L420 VanDerWaalsContact O-CG 3.3Å; E416-L420 WeakPolarHBondContact O-CG 3.07Å; E416-L420 PolarHBondContact O-N 3.4Å; R417-L420 PolarHBondContact O-N 3.21Å; L420-F422 HydrophobicContact CB-CD2 3.73Å; L420-F422 HydrophobicContact CB-CE2 3.73Å; L420-F422 HydrophobicContact CD1-CD2 4.5Å; L420-F422 HydrophobicContact CD1-CE2 3.9Å; L420-F422 HydrophobicContact CG-CE2 4.48Å
421	G	96.8	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	30.8	175.7	0	0	0	0	0	113.9	G301 S302 A303 R417 E418 I419	G301-G421 CarbonylContact C-O 3.56Å; G301-G421 WeakPolarHBondContact CA-O 3.34Å; G301-G421 PolarHBondContact N-O 2.87Å; S302-G421 PolarHBondContact N-O 2.88Å; S302-G421 VanDerWaalsContact N-O 3.15Å; A303-G421 PolarHBondContact N-O 3Å; R417-G421 PolarHBondContact O-N 3.1Å; E418-G421 PolarHBondContact O-N 3.36Å; E418-G421 VanDerWaalsContact O-N 3.15Å; I419-G421 PolarHBondContact O-N 3.36Å
422	F	98.3	Very high	97.5	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	10%	0.1	C	C	.	.			trans	-67.1	155.6	172.1	-78.8	-89.6	0	0	0	112.1	T287 L300 A303 A396 A398 R417 L420	T287-F422 HydrophobicContact CG2-CE2 3.81Å; T287-F422 HydrophobicContact CG2-CZ 3.65Å; L300-F422 WeakPolarHBondContact CD1-O 3.31Å; A303-F422 HydrophobicContact CB-CD1 4.09Å; A303-F422 HydrophobicContact CB-CD2 3.86Å; A303-F422 HydrophobicContact CB-CE1 4.16Å; A303-F422 HydrophobicContact CB-CE2 3.93Å; A303-F422 HydrophobicContact CB-CG 3.95Å; A303-F422 HydrophobicContact CB-CZ 4.09Å; A396-F422 WeakPolarHBondContact O-CE2 3.08Å; A396-F422 WeakPolarHBondContact O-CZ 3.41Å; A398-F422 VanDerWaalsContact O-CE1 3.26Å; A398-F422 WeakPolarHBondContact O-CE1 3.26Å; R417-F422 HydrophobicContact CB-CB 4.27Å; R417-F422 HydrophobicContact CB-CD2 4.07Å; R417-F422 HydrophobicContact CB-CG 4.42Å; R417-F422 HydrophobicContact CG-CD2 4.3Å; R417-F422 VanDerWaalsContact NH2-CD1 3.28Å; R417-F422 WeakPolarHBondContact O-CD2 3.43Å; R417-F422 PolarHBondContact O-N 2.61Å; L420-F422 HydrophobicContact CB-CD2 3.73Å; L420-F422 HydrophobicContact CB-CE2 3.73Å; L420-F422 HydrophobicContact CD1-CD2 4.5Å; L420-F422 HydrophobicContact CD1-CE2 3.9Å; L420-F422 HydrophobicContact CG-CE2 4.48Å
423	D	97.7	Very high	97.2	Very high	63 Å²	63	19.9 Å²	19.9	34%	0.337	10%	0.102	S	C	.	.			trans	-65.5	130.2	170.4	-173.9	-40.9	0	0	0	109.6	K425 T426 T427	D423-K425 PolarHBondContact O-N 3.19Å; D423-K425 VanDerWaalsContact OD1-CB 3.31Å; D423-K425 WeakPolarHBondContact OD1-CB 3.43Å; D423-K425 WeakPolarHBondContact OD1-CG 3.31Å; D423-K425 PolarHBondContact OD1-N 2.74Å; D423-T426 HydrophobicContact CB-CG2 4.46Å; D423-T426 PolarHBondContact O-N 3.34Å; D423-T426 PolarHBondContact O-OG1 2.88Å; D423-T427 PolarHBondContact O-OG1 2.03Å
424	P	97.4	Very high	96.8	Very high	24 Å²	24	24.4 Å²	24.4	16%	0.156	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-51.5	-32.3	178.4	-29.4	35.8	0	0	0	113.9	L300 T426 T427 Y428 H444	L300-P424 HydrophobicContact CD1-CG 4.22Å; L300-P424 HydrophobicContact CD2-CG 3.68Å; L300-P424 HydrophobicContact CG-CG 4.16Å; P424-T426 PolarHBondContact O-N 3.13Å; P424-T427 PolarHBondContact O-N 2.89Å; P424-Y428 HydrophobicContact CB-CD2 3.86Å; P424-Y428 HydrophobicContact CB-CE2 4.07Å; P424-Y428 WeakPolarHBondContact O-CD2 3.46Å; P424-Y428 PolarHBondContact O-N 3.22Å; P424-H444 WeakPolarHBondContact CG-CE1 3.28Å
425	K	97.6	Very high	96.3	Very high	160 Å²	160	29.5 Å²	29.5	70%	0.696	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-62.5	-25.3	178.1	-64.9	173.4	-177	171.6	0	112.8	Y400 D423 N429	Y400-K425 PolarHBondContact OH-O 3.28Å; D423-K425 PolarHBondContact O-N 3.19Å; D423-K425 VanDerWaalsContact OD1-CB 3.31Å; D423-K425 WeakPolarHBondContact OD1-CB 3.43Å; D423-K425 WeakPolarHBondContact OD1-CG 3.31Å; D423-K425 PolarHBondContact OD1-N 2.74Å; K425-N429 PolarHBondContact O-ND2 2.89Å
426	T	98.1	Very high	95.9	Very high	29 Å²	29	31.5 Å²	31.5	18%	0.178	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-98	2.1	177.4	75	0	0	0	0	112.6	R399 Y400 F401 R417 D423 P424	R399-T426 WeakPolarHBondContact O-CB 3.45Å; Y400-T426 HydrophobicContact CD2-CG2 3.94Å; Y400-T426 HydrophobicContact CE2-CG2 4.3Å; F401-T426 PolarHBondContact N-O 3.02Å; R417-T426 PolarHBondContact NE-O 3.38Å; R417-T426 PolarHBondContact NH2-O 2.98Å; R417-T426 PolarHBondContact NH2-OG1 3.18Å; R417-T426 VanDerWaalsContact NH2-OG1 3.09Å; D423-T426 HydrophobicContact CB-CG2 4.46Å; D423-T426 PolarHBondContact O-N 3.34Å; D423-T426 PolarHBondContact O-OG1 2.88Å; P424-T426 PolarHBondContact O-N 3.13Å
427	T	98.3	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-56.9	-173.5	-65.5	0	0	0	0	112.2	H414 R417 D423 P424 N429	H414-T427 HydrophobicContact CB-CG2 4.05Å; H414-T427 PolarHBondContact CD2-O 3.04Å; H414-T427 VanDerWaalsContact CD2-O 3.26Å; H414-T427 PolarHBondContact NE2-O 2.82Å; R417-T427 HydrophobicContact CB-CG2 3.66Å; R417-T427 WeakPolarHBondContact CB-OG1 3.15Å; R417-T427 HydrophobicContact CG-CG2 4.41Å; R417-T427 PolarHBondContact NE-OG1 2.72Å; D423-T427 PolarHBondContact O-OG1 2.03Å; P424-T427 PolarHBondContact O-N 2.89Å; T427-N429 VanDerWaalsContact C-N 3.3Å; T427-N429 PolarHBondContact O-N 2.84Å
428	Y	97.9	Very high	94.6	Very high	19 Å²	19	49.4 Å²	49.4	8%	0.075	25%	0.253	C	S	.	.	S	Bend	trans	-87.7	70.3	-171.2	-60.1	-87.4	0	0	0	110.8	H414 E418 P424 P442 T443 H444 W445	H414-Y428 HydrophobicContact CB-CD1 4.19Å; H414-Y428 HydrophobicContact CB-CE1 3.83Å; E418-Y428 PolarHBondContact OE2-OH 3.08Å; P424-Y428 HydrophobicContact CB-CD2 3.86Å; P424-Y428 HydrophobicContact CB-CE2 4.07Å; P424-Y428 WeakPolarHBondContact O-CD2 3.46Å; P424-Y428 PolarHBondContact O-N 3.22Å; Y428-P442 HydrophobicContact CD1-CB 4.42Å; Y428-T443 VanDerWaalsContact CD1-O 3.28Å; Y428-T443 WeakPolarHBondContact CD1-O 3.04Å; Y428-T443 WeakPolarHBondContact CE1-O 3.39Å; Y428-H444 HydrophobicContact CD2-CB 4.05Å; Y428-H444 AromaticContact CD2-CD2 3.96Å; Y428-H444 HydrophobicContact CE2-CB 4.13Å; Y428-H444 AromaticContact CE2-CD2 3.2Å; Y428-H444 WeakPolarHBondContact CE2-CD2 3.08Å; Y428-H444 AromaticContact CE2-CG 3.82Å; Y428-H444 AromaticContact CE2-NE2 3.93Å; Y428-H444 HydrophobicContact CG-CB 4.35Å; Y428-H444 AromaticContact CZ-CD2 3.45Å; Y428-H444 VanDerWaalsContact CZ-CD2 3.45Å; Y428-H444 PolarHBondContact OH-CD2 3Å; Y428-W445 PolarHBondContact OH-O 2.91Å; Y428-W445 VanDerWaalsContact OH-O 3.12Å
429	N	97.9	Very high	94.1	Very high	24 Å²	24	50.9 Å²	50.9	13%	0.128	26%	0.262	C	S	.	.			trans	-128.2	139.3	179.3	-57.6	-88.2	0	0	0	109.8	Y400 F401 I402 G403 K425 T427	Y400-N429 HydrophobicContact CE1-CB 4.21Å; Y400-N429 WeakPolarHBondContact CE1-ND2 3.43Å; Y400-N429 VanDerWaalsContact OH-CG 3.28Å; Y400-N429 PolarHBondContact OH-ND2 3.48Å; Y400-N429 PolarHBondContact OH-OD1 2.82Å; F401-N429 WeakPolarHBondContact O-CB 3.43Å; F401-N429 PolarHBondContact O-ND2 3Å; I402-N429 HydrophobicContact CB-CB 4.27Å; I402-N429 HydrophobicContact CG1-CB 4.22Å; G403-N429 PolarHBondContact N-O 2.99Å; K425-N429 PolarHBondContact O-ND2 2.89Å; T427-N429 VanDerWaalsContact C-N 3.3Å; T427-N429 PolarHBondContact O-N 2.84Å
430	R	96.5	Very high	93.9	Very high	17 Å²	17	57.6 Å²	57.6	6%	0.064	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-126.5	158.4	169.7	72.2	164.2	-179.8	106.1	-5.6	112.7	D325 G403 E436 E440 P442	D325-R430 PolarHBondContact O-NH1 2.97Å; G403-R430 CarbonylContact O-C 3.59Å; G403-R430 VanDerWaalsContact O-CA 3.28Å; G403-R430 WeakPolarHBondContact O-CA 3.34Å; R430-E436 IonicContact CZ-OE1 2.64Å; R430-E436 IonicContact CZ-OE2 2.8Å; R430-E436 IonicContact NH1-OE1 3.77Å; R430-E436 PolarHBondContact NH1-OE1 3.13Å; R430-E436 IonicContact NH1-OE2 3.13Å; R430-E436 PolarHBondContact NH1-OE2 3.39Å; R430-E436 IonicContact NH2-OE1 3.61Å; R430-E436 PolarHBondContact NH2-OE1 3.23Å; R430-E436 IonicContact NH2-OE2 3.81Å; R430-E436 PolarHBondContact NH2-OE2 2.69Å; R430-E440 PolarHBondContact NE-O 2.79Å; R430-E440 PolarHBondContact NH2-O 2.75Å; R430-E440 VanDerWaalsContact NH2-O 3.1Å; R430-P442 HydrophobicContact CB-CG 4.18Å; R430-P442 HydrophobicContact CG-CG 4.45Å
431	F	95.8	Very high	93.8	Very high	1 Å²	1	61 Å²	61	0%	0.004	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65.7	146.9	160.6	-64.3	-81.3	0	0	0	110.7	V311 L313 P327 A332 K335 I336 I402 G403	V311-F431 HydrophobicContact CG1-CE2 3.73Å; V311-F431 HydrophobicContact CG1-CZ 3.67Å; L313-F431 HydrophobicContact CD2-CD2 3.57Å; L313-F431 HydrophobicContact CD2-CE1 4.46Å; L313-F431 HydrophobicContact CD2-CE2 3.37Å; L313-F431 HydrophobicContact CD2-CG 4.24Å; L313-F431 HydrophobicContact CD2-CZ 3.86Å; L313-F431 HydrophobicContact CG-CE2 3.95Å; L313-F431 HydrophobicContact CG-CZ 4.37Å; P327-F431 HydrophobicContact CB-CB 4.44Å; P327-F431 HydrophobicContact CG-CB 3.56Å; P327-F431 HydrophobicContact CG-CD1 4.15Å; P327-F431 HydrophobicContact CG-CG 3.89Å; A332-F431 HydrophobicContact CB-CD1 4.46Å; A332-F431 HydrophobicContact CB-CE1 4.27Å; K335-F431 HydrophobicContact CB-CD1 4.06Å; K335-F431 HydrophobicContact CB-CE1 3.99Å; K335-F431 HydrophobicContact CG-CD1 3.85Å; K335-F431 HydrophobicContact CG-CE1 3.89Å; I336-F431 HydrophobicContact CD1-CZ 4.28Å; I336-F431 HydrophobicContact CG1-CE1 4.06Å; I336-F431 HydrophobicContact CG1-CZ 3.95Å; I402-F431 HydrophobicContact CB-CE2 4.46Å; I402-F431 HydrophobicContact CD1-CD1 3.8Å; I402-F431 HydrophobicContact CD1-CD2 4.24Å; I402-F431 HydrophobicContact CD1-CE1 3.85Å; I402-F431 HydrophobicContact CD1-CE2 4.26Å; I402-F431 HydrophobicContact CD1-CG 3.99Å; I402-F431 HydrophobicContact CD1-CZ 4.08Å; I402-F431 HydrophobicContact CG1-CD1 4.45Å; I402-F431 HydrophobicContact CG1-CD2 4Å; I402-F431 HydrophobicContact CG1-CE1 4.41Å; I402-F431 HydrophobicContact CG1-CE2 3.93Å; I402-F431 HydrophobicContact CG1-CG 4.23Å; I402-F431 HydrophobicContact CG1-CZ 4.15Å; I402-F431 HydrophobicContact CG2-CE1 4.37Å; I402-F431 HydrophobicContact CG2-CE2 3.89Å; I402-F431 HydrophobicContact CG2-CZ 3.65Å; G403-F431 WeakPolarHBondContact O-CD2 3.16Å; G403-F431 PolarHBondContact O-N 3.16Å
432	C	93.5	Very high	93.7	Very high	42 Å²	42	62.4 Å²	62.4	28%	0.284	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-100.4	152.2	172.6	-49.8	0	0	0	0	108.8	P327 E436 C439	P327-C432 WeakPolarHBondContact CB-O 3.36Å; C432-E436 VanDerWaalsContact CA-OE2 3.27Å; C432-E436 WeakPolarHBondContact CA-OE2 3.44Å; C432-C439 WeakPolarHBondContact CA-SG 3.47Å; C432-C439 HydrophobicContact CB-CB 3.56Å; C432-C439 WeakPolarHBondContact CB-SG 3.45Å; C432-C439 WeakPolarHBondContact SG-CB 3.46Å; C432-C439 CovalentContact SG-SG 2.01Å; C432-C439 PolarHBondContact SG-SG 3.36Å
433	G	92.3	Very high	93.6	Very high	6 Å²	6	65.9 Å²	65.9	6%	0.062	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.5	150.5	167.4	0	0	0	0	0	111.3	E324 S435 E436	E324-G433 WeakPolarHBondContact O-CA 3.34Å; G433-S435 PolarHBondContact O-N 3.36Å; G433-S435 VanDerWaalsContact O-N 3.1Å; G433-E436 PolarHBondContact N-OE2 3.04Å; G433-E436 WeakPolarHBondContact O-CB 3.44Å; G433-E436 PolarHBondContact O-N 3.23Å
434	D	89.8	Confident	93.5	Very high	96 Å²	96	66.4 Å²	66.4	51%	0.513	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.6	-173.9	-75.5	11.3	0	0	0	113.3	P327 S328	P327-D434 WeakPolarHBondContact CA-OD1 3.33Å; S328-D434 WeakPolarHBondContact CB-OD2 3.37Å; S328-D434 PolarHBondContact N-OD1 2.9Å; S328-D434 PolarHBondContact OG-OD2 2.86Å
435	S	88.7	Confident	93.4	Very high	115 Å²	115	70.8 Å²	70.8	80%	0.804	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	6	179.5	-58.8	0	0	0	0	113.2	G433 K437	G433-S435 PolarHBondContact O-N 3.36Å; G433-S435 VanDerWaalsContact O-N 3.1Å; S435-K437 PolarHBondContact O-N 3.16Å
436	E	89.4	Confident	93.3	Very high	51 Å²	51	69.4 Å²	69.4	24%	0.238	35%	0.348	C	S	.	.			trans	-73.7	114	-178.5	-172.2	176.8	-163.7	0	0	110.1	R430 C432 G433 C439	R430-E436 IonicContact CZ-OE1 2.64Å; R430-E436 IonicContact CZ-OE2 2.8Å; R430-E436 IonicContact NH1-OE1 3.77Å; R430-E436 PolarHBondContact NH1-OE1 3.13Å; R430-E436 IonicContact NH1-OE2 3.13Å; R430-E436 PolarHBondContact NH1-OE2 3.39Å; R430-E436 IonicContact NH2-OE1 3.61Å; R430-E436 PolarHBondContact NH2-OE1 3.23Å; R430-E436 IonicContact NH2-OE2 3.81Å; R430-E436 PolarHBondContact NH2-OE2 2.69Å; C432-E436 VanDerWaalsContact CA-OE2 3.27Å; C432-E436 WeakPolarHBondContact CA-OE2 3.44Å; G433-E436 PolarHBondContact N-OE2 3.04Å; G433-E436 WeakPolarHBondContact O-CB 3.44Å; G433-E436 PolarHBondContact O-N 3.23Å; E436-C439 HydrophobicContact CG-CB 4.23Å
437	K	82.8	Confident	93.1	Very high	206 Å²	206	68.6 Å²	68.6	90%	0.896	34%	0.342	S	S	*	.	S	Bend	trans	-80.3	-42.3	-179.6	-64	-175.3	-173.6	177.6	0	112.2	S435	S435-K437 PolarHBondContact O-N 3.16Å
438	E	86.4	Confident	92.9	Very high	176 Å²	176	71.6 Å²	71.6	82%	0.822	36%	0.36	S	S	*	.	S	Bend	trans	-109.2	84	-178.6	-67.3	-173.6	178.8	0	0	109.1	E440	E438-E440 PolarHBondContact O-N 3.42Å
439	C	87.9	Confident	92.6	Very high	30 Å²	30	74.5 Å²	74.5	20%	0.203	37%	0.372	C	S	.	.			trans	-87.8	83.6	-178.8	179	0	0	0	0	111.2	C432 E436 Q441	C432-C439 WeakPolarHBondContact CA-SG 3.47Å; C432-C439 HydrophobicContact CB-CB 3.56Å; C432-C439 WeakPolarHBondContact CB-SG 3.45Å; C432-C439 WeakPolarHBondContact SG-CB 3.46Å; C432-C439 CovalentContact SG-SG 2.01Å; C432-C439 PolarHBondContact SG-SG 3.36Å; E436-C439 HydrophobicContact CG-CB 4.23Å; C439-Q441 PolarHBondContact O-N 2.93Å; C439-Q441 PolarHBondContact O-NE2 3.43Å; C439-Q441 PolarHBondContact SG-NE2 2.99Å
440	E	92.3	Very high	92.3	Very high	147 Å²	147	77.1 Å²	77.1	69%	0.687	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-58.1	128.2	175.6	-171.6	178.2	-179	0	0	110.5	R430 E438	R430-E440 PolarHBondContact NE-O 2.79Å; R430-E440 PolarHBondContact NH2-O 2.75Å; R430-E440 VanDerWaalsContact NH2-O 3.1Å; E438-E440 PolarHBondContact O-N 3.42Å
441	Q	94.7	Very high	92.1	Very high	75 Å²	75	80.2 Å²	80.2	35%	0.35	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-86.3	154.1	178.5	-65.3	-56.9	-68.5	0	0	111.1	C439 T443	C439-Q441 PolarHBondContact O-N 2.93Å; C439-Q441 PolarHBondContact O-NE2 3.43Å; C439-Q441 PolarHBondContact SG-NE2 2.99Å; Q441-T443 PolarHBondContact O-N 2.99Å
442	P	95.3	Very high	91.9	Very high	29 Å²	29	84.6 Å²	84.6	19%	0.188	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-55.7	139.1	178.8	-23.1	33.9	0	0	0	111.7	Y428 R430 H444	Y428-P442 HydrophobicContact CD1-CB 4.42Å; R430-P442 HydrophobicContact CB-CG 4.18Å; R430-P442 HydrophobicContact CG-CG 4.45Å; P442-H444 PolarHBondContact O-N 3.07Å
443	T	95.6	Very high	91.8	Very high	74 Å²	74	87.1 Å²	87.1	45%	0.454	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-63.6	135.3	176.4	-60	0	0	0	0	110.9	Y428 Q441 W445	Y428-T443 VanDerWaalsContact CD1-O 3.28Å; Y428-T443 WeakPolarHBondContact CD1-O 3.04Å; Y428-T443 WeakPolarHBondContact CE1-O 3.39Å; Q441-T443 PolarHBondContact O-N 2.99Å; T443-W445 HydrophobicContact CG2-CD2 4.11Å; T443-W445 HydrophobicContact CG2-CH2 4.41Å; T443-W445 HydrophobicContact CG2-CZ2 3.85Å; T443-W445 PolarHBondContact O-N 2.8Å
444	H	96.3	Very high	91.7	Very high	73 Å²	73	92.2 Å²	92.2	34%	0.338	45%	0.454	S	S	.	.			trans	-76.9	102.1	170.5	174.5	-157.8	0	0	0	110.1	E418 P424 Y428 P442 K446	E418-H444 IonicContact OE1-CD2 2.75Å; E418-H444 IonicContact OE1-CE1 2.76Å; E418-H444 IonicContact OE1-NE2 3.28Å; E418-H444 PolarHBondContact OE1-NE2 2.95Å; E418-H444 IonicContact OE2-CD2 3.33Å; E418-H444 IonicContact OE2-NE2 2.71Å; E418-H444 PolarHBondContact OE2-NE2 2.78Å; P424-H444 WeakPolarHBondContact CG-CE1 3.28Å; Y428-H444 HydrophobicContact CD2-CB 4.05Å; Y428-H444 AromaticContact CD2-CD2 3.96Å; Y428-H444 HydrophobicContact CE2-CB 4.13Å; Y428-H444 AromaticContact CE2-CD2 3.2Å; Y428-H444 WeakPolarHBondContact CE2-CD2 3.08Å; Y428-H444 AromaticContact CE2-CG 3.82Å; Y428-H444 AromaticContact CE2-NE2 3.93Å; Y428-H444 HydrophobicContact CG-CB 4.35Å; Y428-H444 AromaticContact CZ-CD2 3.45Å; Y428-H444 VanDerWaalsContact CZ-CD2 3.45Å; Y428-H444 PolarHBondContact OH-CD2 3Å; P442-H444 PolarHBondContact O-N 3.07Å; H444-K446 PolarHBondContact O-N 3.12Å
445	W	93.8	Very high	91.9	Very high	117 Å²	117	91.9 Å²	91.9	44%	0.443	45%	0.45	S	S	.	.			trans	-88.6	102.2	168.3	-61.9	108.3	0	0	0	109.3	Y248 A249 W254 Y428 T443	Y248-W445 AromaticContact CD1-CD2 3.97Å; Y248-W445 HydrophobicContact CD1-CD2 3.97Å; Y248-W445 HydrophobicContact CD1-CE3 4.07Å; Y248-W445 HydrophobicContact CD1-CG 4.5Å; Y248-W445 HydrophobicContact CD1-CH2 4.34Å; Y248-W445 HydrophobicContact CD1-CZ2 4.25Å; Y248-W445 HydrophobicContact CD1-CZ3 4.25Å; Y248-W445 AromaticContact CE1-CD1 3.82Å; Y248-W445 AromaticContact CE1-CD2 3.64Å; Y248-W445 HydrophobicContact CE1-CD2 3.64Å; Y248-W445 AromaticContact CE1-CE2 3.63Å; Y248-W445 HydrophobicContact CE1-CE3 4.21Å; Y248-W445 AromaticContact CE1-CG 3.77Å; Y248-W445 HydrophobicContact CE1-CG 3.77Å; Y248-W445 HydrophobicContact CE1-CZ2 4.19Å; Y248-W445 AromaticContact CE1-NE1 3.72Å; A249-W445 HydrophobicContact CB-CB 3.92Å; A249-W445 HydrophobicContact CB-CD2 4.2Å; A249-W445 HydrophobicContact CB-CE3 3.7Å; A249-W445 HydrophobicContact CB-CG 4.33Å; W254-W445 VanDerWaalsContact CZ2-O 3.3Å; W254-W445 WeakPolarHBondContact CZ2-O 3.46Å; Y428-W445 PolarHBondContact OH-O 2.91Å; Y428-W445 VanDerWaalsContact OH-O 3.12Å; T443-W445 HydrophobicContact CG2-CD2 4.11Å; T443-W445 HydrophobicContact CG2-CH2 4.41Å; T443-W445 HydrophobicContact CG2-CZ2 3.85Å; T443-W445 PolarHBondContact O-N 2.8Å
446	K	95.1	Very high	92.1	Very high	131 Å²	131	90.3 Å²	90.3	57%	0.57	43%	0.425	S	S	*	.			trans	-72.9	137.3	-174.4	-174.4	-177.9	173.2	-175.8	0	112	W254 E418 H444	W254-K446 PolarHBondContact NE1-O 3.5Å; E418-K446 WeakPolarHBondContact OE1-CA 3.31Å; H444-K446 PolarHBondContact O-N 3.12Å
447	I	94.9	Very high	92.3	Very high	12 Å²	12	93.3 Å²	93.3	6%	0.062	44%	0.439	C	S	.	.			trans	-62.2	137.1	172	-170.1	159.7	0	0	0	112.8	W254 R258 E418 I419 Y449	W254-I447 HydrophobicContact CB-CG1 4.31Å; W254-I447 HydrophobicContact CD2-CB 4.01Å; W254-I447 HydrophobicContact CD2-CD1 4.33Å; W254-I447 HydrophobicContact CD2-CG1 3.73Å; W254-I447 VanDerWaalsContact CE2-CA 3.47Å; W254-I447 HydrophobicContact CE3-CB 4.17Å; W254-I447 HydrophobicContact CE3-CD1 3.84Å; W254-I447 HydrophobicContact CE3-CG1 3.77Å; W254-I447 HydrophobicContact CG-CB 4.48Å; W254-I447 HydrophobicContact CG-CG1 3.96Å; W254-I447 HydrophobicContact CH2-CB 4.42Å; W254-I447 HydrophobicContact CZ2-CB 4.28Å; W254-I447 HydrophobicContact CZ3-CB 4.37Å; W254-I447 HydrophobicContact CZ3-CD1 4.21Å; W254-I447 HydrophobicContact CZ3-CG1 4.35Å; R258-I447 HydrophobicContact CG-CD1 4.2Å; E418-I447 HydrophobicContact CG-CB 3.69Å; E418-I447 HydrophobicContact CG-CG2 3.81Å; E418-I447 PolarHBondContact OE1-N 3.24Å; I419-I447 HydrophobicContact CB-CD1 4.49Å; I419-I447 HydrophobicContact CG1-CD1 3.87Å; I447-Y449 HydrophobicContact CD1-CE1 3.78Å; I447-Y449 HydrophobicContact CG1-CE1 4.11Å; I447-Y449 HydrophobicContact CG1-CE2 4.3Å; I447-Y449 HydrophobicContact CG2-CE2 3.92Å
448	V	94.7	Very high	93.1	Very high	63 Å²	63	83.9 Å²	83.9	38%	0.382	40%	0.401	S	S	.	.			trans	-120.6	129.4	175.5	-175.3	0	0	0	0	108.3	K251 W254	K251-V448 HydrophobicContact CB-CG1 4.04Å; W254-V448 WeakPolarHBondContact CB-O 3.39Å; W254-V448 VanDerWaalsContact CD1-N 3.33Å
449	Y	90.4	Very high	93.7	Very high	80 Å²	80	75.5 Å²	75.5	31%	0.314	36%	0.363	S	S	.	.			trans	-105.5	0	-175.4	-67.9	-71.4	0	0	0	113.6	K251 I296 K297 N298 I447	K251-Y449 WeakPolarHBondContact CE-OXT 3.07Å; I296-Y449 WeakPolarHBondContact O-CE1 3.35Å; K297-Y449 HydrophobicContact CB-CD1 4.48Å; K297-Y449 HydrophobicContact CB-CE1 4.41Å; K297-Y449 HydrophobicContact CG-CD1 3.91Å; K297-Y449 HydrophobicContact CG-CE1 4.2Å; K297-Y449 HydrophobicContact CG-CG 4.23Å; N298-Y449 PolarHBondContact N-OH 3.43Å; N298-Y449 PolarHBondContact O-OH 3.46Å; I447-Y449 HydrophobicContact CD1-CE1 3.78Å; I447-Y449 HydrophobicContact CG1-CE1 4.11Å; I447-Y449 HydrophobicContact CG1-CE2 4.3Å; I447-Y449 HydrophobicContact CG2-CE2 3.92Å

Retrieved 449 of 449 residues in 93.5 ms (Link to these results)

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