A0A087XWW3_POEFO Loading...

Arginine-hydroxylase NDUFAF5, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XWW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	26.4	Very low	254 Å²	254	170.1 Å²	170.1	100%	1.251	88%	0.879	S	S	*	*				0	122.3	0	-86.4	167.6	152.6	0	0	108
2	S	24.9	Very low	26.6	Very low	105 Å²	105	163 Å²	163	73%	0.734	88%	0.879	S	S	*	*			trans	-88.9	149.3	-172.4	163.6	0	0	0	0	111.5
3	C	21.3	Very low	26.6	Very low	98 Å²	98	158.4 Å²	158.4	66%	0.662	88%	0.877	S	S	*	*			trans	138.8	106.5	136	-84.6	0	0	0	0	111.2
4	R	25.1	Very low	26.4	Very low	241 Å²	241	152.8 Å²	152.8	91%	0.909	87%	0.873	S	S	*	*				78.6	114.2	90.1	-76.2	179.2	-170	-157.4	1.5	112.2
5	G	25.3	Very low	26.7	Very low	76 Å²	76	151.4 Å²	151.4	78%	0.784	88%	0.877	S	S	*	*			trans	168.3	23.7	166.9	0	0	0	0	0	118.6
6	I	30.5	Very low	26.7	Very low	169 Å²	169	145.7 Å²	145.7	87%	0.867	86%	0.86	S	S	*	*			trans	-135.7	87.6	169.8	-58.5	178.9	0	0	0	108.9
7	Q	25	Very low	27	Very low	190 Å²	190	144.9 Å²	144.9	89%	0.888	86%	0.86	S	S	*	*			trans	-172.8	116.6	154	-116.6	170.7	-13.5	0	0	111
8	K	24.8	Very low	27.2	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	85%	0.85	S	S	*	*			trans	132.9	97.4	150.5	-78.9	-177.8	175.3	-177.6	0	112.4
9	L	25.3	Very low	27.2	Very low	173 Å²	173	138.3 Å²	138.3	91%	0.906	84%	0.841	S	S	*	*				-175.1	76.1	121.3	-107.8	135.1	0	0	0	108.7
10	L	26.8	Very low	27.8	Very low	173 Å²	173	141.9 Å²	141.9	91%	0.906	84%	0.839	S	S	*	*			trans	-109.6	98.2	159.6	-90	167.8	0	0	0	106.3
11	Q	25.4	Very low	28	Very low	193 Å²	193	140.5 Å²	140.5	90%	0.902	84%	0.836	S	S	*	*			trans	-167.4	114.2	154.6	-106.6	168.6	26	0	0	108.3
12	G	28	Very low	28.3	Very low	85 Å²	85	134.1 Å²	134.1	88%	0.876	80%	0.798	S	S	*	*			trans	103.7	79.4	163	0	0	0	0	0	116.2
13	A	26.5	Very low	28.6	Very low	103 Å²	103	135.3 Å²	135.3	85%	0.851	80%	0.802	S	S	*	*			trans	-150.7	95	151.3	0	0	0	0	0	108.5
14	G	24.5	Very low	29	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	81%	0.807	S	S	*	*			trans	-67.2	141.5	165.5	0	0	0	0	0	109.9
15	S	31	Very low	29.3	Very low	132 Å²	132	129.3 Å²	129.3	92%	0.923	80%	0.8	S	S	*	*			trans	-62.7	129	174.1	36	0	0	0	0	112.1
16	G	26.8	Very low	29.4	Very low	60 Å²	60	132.8 Å²	132.8	62%	0.619	81%	0.806	S	S	*	*			trans	-166.3	148	168.4	0	0	0	0	0	109.6	A18	G16-A18 PolarHBondContact O-N 3.3Å
17	P	31.6	Very low	29.1	Very low	132 Å²	132	129.8 Å²	129.8	86%	0.857	80%	0.8	S	S	*	*			trans	-65.6	135.5	179.6	28.1	-31.7	0	0	0	109.4	A19	P17-A19 PolarHBondContact O-N 3.21Å
18	A	30.3	Very low	29	Very low	81 Å²	81	126.8 Å²	126.8	67%	0.669	80%	0.798	S	S	*	*			trans	-65.8	100.7	-179.7	0	0	0	0	0	110.1	G16 W20	G16-A18 PolarHBondContact O-N 3.3Å; A18-W20 VanDerWaalsContact O-CD1 3.29Å
19	A	27.7	Very low	28.8	Very low	83 Å²	83	122.8 Å²	122.8	69%	0.686	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-83.1	119	171.7	0	0	0	0	0	109.4	P17	P17-A19 PolarHBondContact O-N 3.21Å
20	W	39.5	Very low	28.7	Very low	211 Å²	211	120.2 Å²	120.2	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-101.6	118.8	175.5	-62.3	76.1	0	0	0	108.7	A18	A18-W20 VanDerWaalsContact O-CD1 3.29Å
21	S	30.8	Very low	28.6	Very low	112 Å²	112	123.9 Å²	123.9	78%	0.783	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-101.9	133.9	173.9	57.3	0	0	0	0	110.5
22	R	42.6	Very low	28.8	Very low	120 Å²	120	123.1 Å²	123.1	45%	0.453	79%	0.792	S	S	.	*	P	Polyproline II helix	trans	-97.2	138.5	173.7	-102.1	-170.1	174.4	-166.7	-0.7	111.6	Q79	R22-Q79 PolarHBondContact NH2-O 3.06Å
23	T	30.9	Very low	28.7	Very low	131 Å²	131	131 Å²	131	80%	0.804	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-86.8	148.5	165	37.8	0	0	0	0	110.8
24	P	29.8	Very low	28.7	Very low	120 Å²	120	132 Å²	132	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-77.3	134.5	-171.2	28.9	-32.6	0	0	0	112.5
25	A	32.7	Very low	28.8	Very low	92 Å²	92	131.3 Å²	131.3	76%	0.76	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-93.7	140.9	169.5	0	0	0	0	0	111.1
26	V	26.1	Very low	28.7	Very low	149 Å²	149	131.4 Å²	131.4	90%	0.903	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.3	127.9	-173.1	-174.8	0	0	0	0	111.1
27	S	25.8	Very low	28.8	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-64.5	125.2	-179.9	148.9	0	0	0	0	113.2
28	C	21.6	Very low	28.6	Very low	126 Å²	126	140.3 Å²	140.3	85%	0.851	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-97.9	117.1	164.7	-161.4	0	0	0	0	110.2
29	C	21.6	Very low	28.5	Very low	115 Å²	115	141.2 Å²	141.2	78%	0.777	81%	0.811	S	S	*	*			trans	-88.7	114.2	-170.9	-156.9	0	0	0	0	111
30	C	23.6	Very low	28.6	Very low	119 Å²	119	145.4 Å²	145.4	80%	0.804	82%	0.821	S	S	*	*			trans	-114.2	121.2	169.5	-83.9	0	0	0	0	111.1
31	R	24.8	Very low	28.1	Very low	251 Å²	251	141.1 Å²	141.1	95%	0.947	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.8	127.6	-177.6	-69.8	178.2	-174.8	-155.6	0	111.8
32	L	27.7	Very low	27.9	Very low	176 Å²	176	139.3 Å²	139.3	92%	0.921	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-88.8	131.9	166.1	-80.2	154.1	0	0	0	110.3
33	R	26	Very low	27.5	Very low	250 Å²	250	139.9 Å²	139.9	94%	0.943	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-89.3	133.4	168.4	-80	-176.5	175.9	-137.3	0.9	109.7
34	S	28.1	Very low	27.4	Very low	125 Å²	125	137.4 Å²	137.4	87%	0.874	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-85.1	141.3	177.2	44.3	0	0	0	0	112.1
35	G	26.9	Very low	27.5	Very low	65 Å²	65	138 Å²	138	67%	0.67	85%	0.85	S	S	*	*			trans	-132.2	143.3	163.5	0	0	0	0	0	109.2
36	P	28.6	Very low	27.4	Very low	134 Å²	134	137.4 Å²	137.4	87%	0.87	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-88	129.3	-171.2	33.2	-31.4	0	0	0	111.8
37	C	29	Very low	27.7	Very low	134 Å²	134	135.3 Å²	135.3	91%	0.905	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-100.6	124.1	168.5	-79.7	0	0	0	0	110.4
38	R	27	Very low	27.9	Very low	245 Å²	245	133.4 Å²	133.4	93%	0.925	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-67.3	139.9	175.4	-78.6	177.6	167.2	-159.1	-3.6	111.3
39	A	27.2	Very low	28.6	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-71.9	136	172	0	0	0	0	0	111.3
40	L	30.3	Very low	29.1	Very low	171 Å²	171	132.2 Å²	132.2	90%	0.895	85%	0.85	S	S	*	*			trans	-124.8	123.8	162.4	-77.3	169.9	0	0	0	108.6
41	S	28.8	Very low	30	Very low	120 Å²	120	132.9 Å²	132.9	84%	0.839	86%	0.856	S	S	*	*			trans	-66.2	133.8	174.9	45.3	0	0	0	0	112
42	G	26.2	Very low	30.5	Very low	74 Å²	74	124 Å²	124	76%	0.763	84%	0.843	S	S	*	*			trans	-101.7	152.2	169.1	0	0	0	0	0	112.1
43	P	33.9	Very low	31.8	Very low	132 Å²	132	122.1 Å²	122.1	86%	0.857	85%	0.845	S	S	*	*			trans	-106.2	142.6	168	35.3	-25.2	0	0	0	112.8
44	G	29.1	Very low	33	Very low	80 Å²	80	113 Å²	113	83%	0.825	83%	0.829	S	S	*	*			trans	87	87.1	132.9	0	0	0	0	0	118.3
45	S	33.1	Very low	34.6	Very low	133 Å²	133	110.9 Å²	110.9	93%	0.93	81%	0.814	S	S	*	*			trans	-75.5	117.9	159.7	28.9	0	0	0	0	110.7
46	G	29.6	Very low	37.1	Very low	79 Å²	79	114.2 Å²	114.2	81%	0.814	81%	0.813	S	S	*	*			trans	-131	112.2	163.6	0	0	0	0	0	109.1
47	A	33	Very low	40	Very low	105 Å²	105	112.8 Å²	112.8	87%	0.868	80%	0.799	S	S	*	*			trans	-134	108.9	172.5	0	0	0	0	0	109.2
48	G	30.8	Very low	43	Very low	67 Å²	67	108.6 Å²	108.6	69%	0.691	77%	0.769	S	S	*	*			trans	-82.1	164.3	161.2	0	0	0	0	0	110.8	G50	G48-G50 PolarHBondContact O-N 3.07Å
49	P	36.3	Very low	46.2	Very low	142 Å²	142	97.5 Å²	97.5	92%	0.922	73%	0.727	S	S	*	*			trans	-84.5	108.7	-171.2	32.8	-29.7	0	0	0	110.5
50	G	31.1	Very low	49.4	Very low	73 Å²	73	94.2 Å²	94.2	75%	0.753	70%	0.696	S	S	*	*			trans	-104.1	117	167.9	0	0	0	0	0	110.3	G48 G52	G48-G50 PolarHBondContact O-N 3.07Å; G50-G52 PolarHBondContact O-N 3.43Å
51	S	41.8	Very low	52.4	Low	133 Å²	133	87.6 Å²	87.6	93%	0.93	66%	0.659	S	S	*	*			trans	-65.8	108.3	169.1	57.6	0	0	0	0	110.3
52	G	37.1	Very low	55.5	Low	65 Å²	65	87 Å²	87	67%	0.67	64%	0.643	S	S	*	*			trans	-140.4	142.4	166.3	0	0	0	0	0	108.5	G50 G54	G50-G52 PolarHBondContact O-N 3.43Å; G52-G54 PolarHBondContact O-N 2.72Å
53	S	53.1	Low	58.7	Low	137 Å²	137	85.9 Å²	85.9	96%	0.958	62%	0.618	S	S	*	*			trans	-61.6	80.5	160.6	171.7	0	0	0	0	107.3	S55	S53-S55 PolarHBondContact O-N 2.91Å
54	G	51.2	Low	61.6	Low	59 Å²	59	79.7 Å²	79.7	61%	0.608	58%	0.578	S	S	*	*			trans	-75.2	117.8	-178.2	0	0	0	0	0	108.4	G52 M56	G52-G54 PolarHBondContact O-N 2.72Å; G54-M56 PolarHBondContact O-N 2.85Å; G54-M56 VanDerWaalsContact O-N 3.16Å
55	S	62.7	Low	64.8	Low	80 Å²	80	81 Å²	81	56%	0.559	56%	0.558	S	S	*	*			trans	-47.6	121.9	162.8	55.5	0	0	0	0	108.2	S53 N57	S53-S55 PolarHBondContact O-N 2.91Å; S55-N57 PolarHBondContact O-N 3.05Å
56	M	79.2	Confident	67.8	Low	134 Å²	134	81.9 Å²	81.9	66%	0.66	54%	0.541	S	S	*	.			trans	-62.9	108.5	-179.9	-73.2	-170.6	-64.9	0	0	109.1	G54 V58 N177	G54-M56 PolarHBondContact O-N 2.85Å; G54-M56 VanDerWaalsContact O-N 3.16Å; M56-V58 HydrophobicContact CB-CG2 4.07Å; M56-V58 PolarHBondContact O-N 2.73Å; M56-N177 CarbonylContact O-C 3.6Å; M56-N177 WeakPolarHBondContact O-CA 3.43Å; M56-N177 WeakPolarHBondContact O-CB 3.5Å; M56-N177 VanDerWaalsContact O-O 3.06Å; M56-N177 PolarHBondContact O-OD1 2.94Å
57	N	88.9	Confident	70.9	Confident	105 Å²	105	78.8 Å²	78.8	56%	0.561	51%	0.505	S	S	*	.			trans	-93.8	79.3	177.1	-174.7	13	0	0	0	109.5	S55 F59 W280	S55-N57 PolarHBondContact O-N 3.05Å; N57-F59 PolarHBondContact OD1-O 3.1Å; N57-W280 PolarHBondContact OD1-NE1 2.88Å
58	V	92.1	Very high	73.8	Confident	46 Å²	46	75 Å²	75	28%	0.279	47%	0.469	S	S	.	.			trans	-86.9	-42.7	-177.3	-177	0	0	0	0	111.1	M56 N177 P230 A279 W280	M56-V58 HydrophobicContact CB-CG2 4.07Å; M56-V58 PolarHBondContact O-N 2.73Å; V58-N177 PolarHBondContact N-OD1 3.17Å; V58-P230 HydrophobicContact CG1-CG 3.58Å; V58-A279 CarbonylContact O-C 3.57Å; V58-A279 VanDerWaalsContact O-CA 3.3Å; V58-A279 WeakPolarHBondContact O-CA 3.37Å; V58-W280 PolarHBondContact O-N 3.3Å
59	F	94.7	Very high	76.9	Confident	12 Å²	12	73.8 Å²	73.8	5%	0.053	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-106	134.7	-170.2	-55.3	-61.5	0	0	0	112.5	N57 R61 H174 W175 N177 P230 W280	N57-F59 PolarHBondContact OD1-O 3.1Å; F59-R61 PolarHBondContact O-N 3.49Å; F59-R61 VanDerWaalsContact O-N 3.11Å; F59-H174 VanDerWaalsContact CE2-O 3.3Å; F59-H174 WeakPolarHBondContact CE2-O 3.27Å; F59-H174 VanDerWaalsContact CZ-O 3.31Å; F59-H174 WeakPolarHBondContact CZ-O 3.41Å; F59-W175 AromaticContact CD1-CE3 3.88Å; F59-W175 HydrophobicContact CD1-CE3 3.88Å; F59-W175 HydrophobicContact CD1-CZ3 4.07Å; F59-W175 HydrophobicContact CE1-CE3 4.04Å; F59-W175 HydrophobicContact CE1-CZ3 4.13Å; F59-W175 HydrophobicContact CG-CE3 4.3Å; F59-N177 PolarHBondContact N-OD1 2.99Å; F59-N177 PolarHBondContact O-ND2 2.99Å; F59-N177 VanDerWaalsContact O-ND2 3.14Å; F59-P230 HydrophobicContact CE1-CG 4.23Å; F59-P230 HydrophobicContact CZ-CG 4.38Å; F59-P230 WeakPolarHBondContact CZ-O 3.47Å; F59-W280 PolarHBondContact O-NE1 3.19Å
60	N	94.5	Very high	79.7	Confident	32 Å²	32	72.2 Å²	72.2	17%	0.171	42%	0.422	C	S	.	.			trans	-76	95.9	167.2	-176.5	-26.2	0	0	0	109.5	E62 M63 K64 C278 W280	N60-E62 VanDerWaalsContact C-N 3.27Å; N60-E62 PolarHBondContact O-N 3.16Å; N60-E62 WeakPolarHBondContact OD1-CB 3.31Å; N60-E62 PolarHBondContact OD1-N 3.19Å; N60-E62 VanDerWaalsContact OD1-N 3.13Å; N60-M63 HydrophobicContact CB-CB 3.89Å; N60-M63 WeakPolarHBondContact O-CB 3.24Å; N60-M63 PolarHBondContact O-N 2.9Å; N60-M63 VanDerWaalsContact O-N 3.15Å; N60-M63 PolarHBondContact OD1-N 2.8Å; N60-K64 PolarHBondContact O-N 3.4Å; N60-C278 WeakPolarHBondContact CB-O 3.21Å; N60-C278 PolarHBondContact N-O 2.99Å; N60-W280 HydrophobicContact CB-CD2 3.96Å; N60-W280 HydrophobicContact CB-CE3 4.19Å; N60-W280 HydrophobicContact CB-CH2 3.98Å; N60-W280 HydrophobicContact CB-CZ2 3.71Å; N60-W280 HydrophobicContact CB-CZ3 4.21Å; N60-W280 VanDerWaalsContact CG-CH2 3.5Å; N60-W280 WeakPolarHBondContact ND2-CH2 3.42Å; N60-W280 WeakPolarHBondContact ND2-CZ3 3.44Å
61	R	92.9	Very high	82.8	Confident	31 Å²	31	69.3 Å²	69.3	12%	0.117	39%	0.392	C	S	.	.	H	α-helix	trans	-61.7	-31.6	-179.4	-64.4	-67.4	-64.6	163.5	0.7	113.2	F59 K64 R65 D153 E154 W175	F59-R61 PolarHBondContact O-N 3.49Å; F59-R61 VanDerWaalsContact O-N 3.11Å; R61-K64 PolarHBondContact O-N 3.08Å; R61-R65 WeakPolarHBondContact O-CB 3.3Å; R61-R65 PolarHBondContact O-N 3.3Å; R61-D153 IonicContact CZ-OD1 3.8Å; R61-D153 IonicContact NE-OD1 2.94Å; R61-D153 IonicContact NH2-OD1 2.64Å; R61-D153 PolarHBondContact NH2-OD1 2.82Å; R61-D153 IonicContact NH2-OD2 2.76Å; R61-E154 IonicContact CZ-OE2 2.9Å; R61-E154 IonicContact NH2-OE2 3.13Å; R61-E154 PolarHBondContact NH2-OE2 3.33Å; R61-W175 WeakPolarHBondContact CD-O 3.05Å; R61-W175 PolarHBondContact NH1-O 3.37Å
62	E	93.8	Very high	85.2	Confident	109 Å²	109	63.6 Å²	63.6	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-67.6	-43.4	174.9	-167	-171.7	165.7	0	0	111.1	N60 K64 R65 R66	N60-E62 VanDerWaalsContact C-N 3.27Å; N60-E62 PolarHBondContact O-N 3.16Å; N60-E62 WeakPolarHBondContact OD1-CB 3.31Å; N60-E62 PolarHBondContact OD1-N 3.19Å; N60-E62 VanDerWaalsContact OD1-N 3.13Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 2.69Å; E62-R65 WeakPolarHBondContact O-CB 3.47Å; E62-R65 PolarHBondContact O-N 3.3Å; E62-R66 WeakPolarHBondContact O-CG 3.34Å; E62-R66 PolarHBondContact O-N 3.26Å; E62-R66 IonicContact OE1-CZ 2.84Å; E62-R66 IonicContact OE1-NE 3.99Å; E62-R66 PolarHBondContact OE1-NE 2.73Å; E62-R66 IonicContact OE1-NH2 3.25Å; E62-R66 PolarHBondContact OE1-NH2 3.01Å
63	M	94.2	Very high	87.9	Confident	50 Å²	50	64.6 Å²	64.6	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-44.3	173.3	-177.4	67.9	-170.3	0	0	110.9	N60 R65 R66 Q67 C278	N60-M63 HydrophobicContact CB-CB 3.89Å; N60-M63 WeakPolarHBondContact O-CB 3.24Å; N60-M63 PolarHBondContact O-N 2.9Å; N60-M63 VanDerWaalsContact O-N 3.15Å; N60-M63 PolarHBondContact OD1-N 2.8Å; M63-R65 VanDerWaalsContact C-N 3.33Å; M63-R65 PolarHBondContact O-N 3.38Å; M63-R66 WeakPolarHBondContact O-CB 3.26Å; M63-R66 PolarHBondContact O-N 3.19Å; M63-R66 VanDerWaalsContact O-N 3.15Å; M63-Q67 HydrophobicContact CE-CG 3.98Å; M63-Q67 WeakPolarHBondContact O-CG 3.38Å; M63-Q67 PolarHBondContact O-N 2.87Å; M63-C278 HydrophobicContact CB-CB 4.29Å; M63-C278 HydrophobicContact CG-CB 4.11Å
64	K	95.1	Very high	89.9	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-41.1	177.7	-174.8	64.4	-165.7	-173.2	0	112	N60 R61 E62 R66 Q67 K68 W175 G274 E275 C278	N60-K64 PolarHBondContact O-N 3.4Å; R61-K64 PolarHBondContact O-N 3.08Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 2.69Å; K64-R66 VanDerWaalsContact C-N 3.35Å; K64-R66 PolarHBondContact O-N 3.29Å; K64-Q67 PolarHBondContact O-N 2.87Å; K64-K68 PolarHBondContact O-N 2.78Å; K64-W175 HydrophobicContact CD-CD2 3.8Å; K64-W175 HydrophobicContact CD-CE3 4.27Å; K64-W175 HydrophobicContact CD-CG 3.91Å; K64-W175 HydrophobicContact CG-CB 4.36Å; K64-W175 HydrophobicContact CG-CD2 4.5Å; K64-W175 HydrophobicContact CG-CG 4.26Å; K64-G274 PolarHBondContact NZ-O 3.46Å; K64-E275 IonicContact NZ-OE1 3.4Å; K64-E275 PolarHBondContact NZ-OE1 2.99Å; K64-E275 IonicContact NZ-OE2 3.4Å; K64-C278 HydrophobicContact CB-CB 4.46Å
65	R	95.4	Very high	91.6	Very high	109 Å²	109	66 Å²	66	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-44.2	172.9	-174.1	-174	-60.7	-173.9	-6.1	111.6	R61 E62 M63 K68 N69 V132	R61-R65 WeakPolarHBondContact O-CB 3.3Å; R61-R65 PolarHBondContact O-N 3.3Å; E62-R65 WeakPolarHBondContact O-CB 3.47Å; E62-R65 PolarHBondContact O-N 3.3Å; M63-R65 VanDerWaalsContact C-N 3.33Å; M63-R65 PolarHBondContact O-N 3.38Å; R65-K68 PolarHBondContact O-N 3.46Å; R65-N69 WeakPolarHBondContact O-CB 3.46Å; R65-N69 VanDerWaalsContact O-CG 3.3Å; R65-N69 PolarHBondContact O-N 2.75Å; R65-N69 PolarHBondContact O-ND2 2.83Å; R65-V132 HydrophobicContact CB-CG1 4.42Å; R65-V132 HydrophobicContact CB-CG2 4.4Å; R65-V132 HydrophobicContact CG-CG1 4.42Å; R65-V132 HydrophobicContact CG-CG2 4.15Å
66	R	95.5	Very high	92.9	Very high	151 Å²	151	66.4 Å²	66.4	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-61.8	-42	175.9	-69.3	175.3	-172.4	-168.8	2.9	111.9	E62 M63 K64 N69 W70	E62-R66 WeakPolarHBondContact O-CG 3.34Å; E62-R66 PolarHBondContact O-N 3.26Å; E62-R66 IonicContact OE1-CZ 2.84Å; E62-R66 IonicContact OE1-NE 3.99Å; E62-R66 PolarHBondContact OE1-NE 2.73Å; E62-R66 IonicContact OE1-NH2 3.25Å; E62-R66 PolarHBondContact OE1-NH2 3.01Å; M63-R66 WeakPolarHBondContact O-CB 3.26Å; M63-R66 PolarHBondContact O-N 3.19Å; M63-R66 VanDerWaalsContact O-N 3.15Å; K64-R66 VanDerWaalsContact C-N 3.35Å; K64-R66 PolarHBondContact O-N 3.29Å; R66-N69 PolarHBondContact O-N 3.33Å; R66-W70 VanDerWaalsContact O-CB 3.31Å; R66-W70 WeakPolarHBondContact O-CB 3.37Å; R66-W70 PolarHBondContact O-N 3.22Å
67	Q	95.3	Very high	93.3	Very high	14 Å²	14	60.3 Å²	60.3	7%	0.065	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-47.5	175.4	-70.7	166.9	-17.2	0	0	111.9	M63 K64 N69 W70 A71 S276 N277	M63-Q67 HydrophobicContact CE-CG 3.98Å; M63-Q67 WeakPolarHBondContact O-CG 3.38Å; M63-Q67 PolarHBondContact O-N 2.87Å; K64-Q67 PolarHBondContact O-N 2.87Å; Q67-N69 PolarHBondContact O-N 3.33Å; Q67-W70 PolarHBondContact O-N 3.03Å; Q67-A71 WeakPolarHBondContact O-CB 3.42Å; Q67-A71 PolarHBondContact O-N 3.33Å; Q67-S276 PolarHBondContact NE2-O 3.5Å; Q67-S276 PolarHBondContact OE1-O 2.95Å; Q67-N277 PolarHBondContact NE2-O 3.45Å
68	K	95.1	Very high	93.4	Very high	26 Å²	26	61 Å²	61	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-43.2	175.7	-75.4	-170.1	169.6	-167.7	0	111.9	K64 R65 A72 D131 V132 E154	K64-K68 PolarHBondContact O-N 2.78Å; R65-K68 PolarHBondContact O-N 3.46Å; K68-A72 WeakPolarHBondContact O-CB 3.37Å; K68-A72 PolarHBondContact O-N 2.85Å; K68-A72 VanDerWaalsContact O-N 3.08Å; K68-D131 WeakPolarHBondContact CD-OD1 3.44Å; K68-D131 IonicContact NZ-OD1 2.67Å; K68-D131 PolarHBondContact NZ-OD1 3.21Å; K68-D131 IonicContact NZ-OD2 3.96Å; K68-D131 PolarHBondContact NZ-OD2 3.16Å; K68-V132 HydrophobicContact CD-CG1 3.88Å; K68-E154 IonicContact NZ-OE1 3.05Å; K68-E154 PolarHBondContact NZ-OE1 2.98Å; K68-E154 VanDerWaalsContact NZ-OE1 3.13Å
69	N	95.7	Very high	93.4	Very high	41 Å²	41	61.6 Å²	61.6	22%	0.219	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-46	175.8	-75.4	-20.4	0	0	0	111.4	R65 R66 Q67 A71 A72 V73 S133 Q135	R65-N69 WeakPolarHBondContact O-CB 3.46Å; R65-N69 VanDerWaalsContact O-CG 3.3Å; R65-N69 PolarHBondContact O-N 2.75Å; R65-N69 PolarHBondContact O-ND2 2.83Å; R66-N69 PolarHBondContact O-N 3.33Å; Q67-N69 PolarHBondContact O-N 3.33Å; N69-A71 PolarHBondContact O-N 3.29Å; N69-A72 WeakPolarHBondContact O-CB 3.38Å; N69-A72 PolarHBondContact O-N 3.35Å; N69-V73 PolarHBondContact O-N 3.42Å; N69-S133 WeakPolarHBondContact OD1-CB 3.3Å; N69-S133 PolarHBondContact OD1-OG 3.45Å; N69-Q135 PolarHBondContact O-OE1 2.92Å
70	W	95.1	Very high	93.4	Very high	108 Å²	108	62.9 Å²	62.9	41%	0.409	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-47.1	178.3	-179.2	83.1	0	0	0	112	R66 Q67 A72 V73 L74 Q271	R66-W70 VanDerWaalsContact O-CB 3.31Å; R66-W70 WeakPolarHBondContact O-CB 3.37Å; R66-W70 PolarHBondContact O-N 3.22Å; Q67-W70 PolarHBondContact O-N 3.03Å; W70-A72 PolarHBondContact O-N 3.05Å; W70-V73 WeakPolarHBondContact O-CG2 3.32Å; W70-V73 PolarHBondContact O-N 3.49Å; W70-V73 VanDerWaalsContact O-N 3.15Å; W70-L74 HydrophobicContact CD2-CD2 4.48Å; W70-L74 HydrophobicContact CE3-CD1 4.16Å; W70-L74 HydrophobicContact CE3-CG 4.46Å; W70-L74 HydrophobicContact CH2-CD1 3.91Å; W70-L74 HydrophobicContact CH2-CD2 3.85Å; W70-L74 HydrophobicContact CH2-CG 4.37Å; W70-L74 HydrophobicContact CZ2-CD2 3.76Å; W70-L74 HydrophobicContact CZ3-CD1 3.63Å; W70-L74 HydrophobicContact CZ3-CD2 4.23Å; W70-L74 HydrophobicContact CZ3-CG 4.26Å; W70-Q271 HydrophobicContact CE3-CG 4.35Å; W70-Q271 HydrophobicContact CH2-CB 4.49Å; W70-Q271 HydrophobicContact CH2-CG 3.75Å; W70-Q271 HydrophobicContact CZ3-CB 4.33Å; W70-Q271 HydrophobicContact CZ3-CG 3.62Å; W70-Q271 WeakPolarHBondContact CZ3-O 3.38Å
71	A	95.1	Very high	93.4	Very high	13 Å²	13	61.7 Å²	61.7	11%	0.107	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-34.8	176.5	0	0	0	0	0	112.5	Q67 N69 V73 G272	Q67-A71 WeakPolarHBondContact O-CB 3.42Å; Q67-A71 PolarHBondContact O-N 3.33Å; N69-A71 PolarHBondContact O-N 3.29Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 PolarHBondContact O-N 3.15Å; A71-G272 VanDerWaalsContact CB-O 3.31Å; A71-G272 WeakPolarHBondContact CB-O 3.48Å
72	A	93.6	Very high	93.5	Very high	13 Å²	13	62.9 Å²	62.9	11%	0.107	29%	0.292	C	S	.	.	H	α-helix	trans	-67.2	-29.8	177.6	0	0	0	0	0	113.2	K68 N69 W70 Q135 A136 L139	K68-A72 WeakPolarHBondContact O-CB 3.37Å; K68-A72 PolarHBondContact O-N 2.85Å; K68-A72 VanDerWaalsContact O-N 3.08Å; N69-A72 WeakPolarHBondContact O-CB 3.38Å; N69-A72 PolarHBondContact O-N 3.35Å; W70-A72 PolarHBondContact O-N 3.05Å; A72-Q135 HydrophobicContact CB-CB 3.78Å; A72-A136 HydrophobicContact CB-CB 4.49Å; A72-L139 HydrophobicContact CB-CD1 3.71Å; A72-L139 WeakPolarHBondContact O-CD1 3.1Å
73	V	93.9	Very high	93.5	Very high	85 Å²	85	57.9 Å²	57.9	52%	0.515	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.9	-177.7	-61.4	0	0	0	0	114.2	N69 W70 A71 Q75 Q135	N69-V73 PolarHBondContact O-N 3.42Å; W70-V73 WeakPolarHBondContact O-CG2 3.32Å; W70-V73 PolarHBondContact O-N 3.49Å; W70-V73 VanDerWaalsContact O-N 3.15Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 PolarHBondContact O-N 3.15Å; V73-Q75 PolarHBondContact O-N 3.01Å; V73-Q135 VanDerWaalsContact CG1-OE1 3.27Å
74	L	93.8	Very high	93.6	Very high	47 Å²	47	56.8 Å²	56.8	25%	0.246	26%	0.262	C	S	.	.			trans	-66.7	129.3	175.6	-67.6	177.3	0	0	0	111	W70 D76 G77 Y80	W70-L74 HydrophobicContact CD2-CD2 4.48Å; W70-L74 HydrophobicContact CE3-CD1 4.16Å; W70-L74 HydrophobicContact CE3-CG 4.46Å; W70-L74 HydrophobicContact CH2-CD1 3.91Å; W70-L74 HydrophobicContact CH2-CD2 3.85Å; W70-L74 HydrophobicContact CH2-CG 4.37Å; W70-L74 HydrophobicContact CZ2-CD2 3.76Å; W70-L74 HydrophobicContact CZ3-CD1 3.63Å; W70-L74 HydrophobicContact CZ3-CD2 4.23Å; W70-L74 HydrophobicContact CZ3-CG 4.26Å; L74-D76 VanDerWaalsContact C-N 3.33Å; L74-D76 PolarHBondContact O-N 3.04Å; L74-G77 PolarHBondContact O-N 2.78Å; L74-Y80 HydrophobicContact CD1-CD2 4.11Å; L74-Y80 HydrophobicContact CD1-CE2 3.93Å
75	Q	88.2	Confident	93.6	Very high	180 Å²	180	59.9 Å²	59.9	84%	0.841	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-44.7	176.4	-66.3	-68.7	-38.8	0	0	111.1	V73 G77	V73-Q75 PolarHBondContact O-N 3.01Å; Q75-G77 VanDerWaalsContact C-N 3.29Å; Q75-G77 PolarHBondContact O-N 3.35Å
76	D	89.7	Confident	93.6	Very high	88 Å²	88	58.6 Å²	58.6	47%	0.471	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	25.5	179.4	-60.8	-47.2	0	0	0	112.9	L74 H78 Q79	L74-D76 VanDerWaalsContact C-N 3.33Å; L74-D76 PolarHBondContact O-N 3.04Å; D76-H78 PolarHBondContact O-N 3.24Å; D76-Q79 HydrophobicContact CB-CG 4.31Å; D76-Q79 WeakPolarHBondContact O-CB 3.49Å; D76-Q79 PolarHBondContact O-N 2.92Å
77	G	87.8	Confident	93.7	Very high	6 Å²	6	51.4 Å²	51.4	6%	0.062	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.1	-27.8	-173	0	0	0	0	0	115	L74 Q75 Q79 Y80	L74-G77 PolarHBondContact O-N 2.78Å; Q75-G77 VanDerWaalsContact C-N 3.29Å; Q75-G77 PolarHBondContact O-N 3.35Å; G77-Q79 PolarHBondContact O-N 3.14Å; G77-Y80 PolarHBondContact O-N 3.49Å
78	H	89.9	Confident	93.8	Very high	118 Å²	118	50.7 Å²	50.7	55%	0.546	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-63.3	-27.1	176.8	65.1	-81.7	0	0	0	112.6	D76 Y80 D81	D76-H78 PolarHBondContact O-N 3.24Å; H78-Y80 PolarHBondContact O-N 2.94Å; H78-D81 PolarHBondContact O-N 2.85Å
79	Q	92.9	Very high	93.8	Very high	60 Å²	60	51.1 Å²	51.1	28%	0.28	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-66.5	-18	178.3	-63.4	-171.5	23.2	0	0	112.8	R22 D76 G77 Y82	R22-Q79 PolarHBondContact NH2-O 3.06Å; D76-Q79 HydrophobicContact CB-CG 4.31Å; D76-Q79 WeakPolarHBondContact O-CB 3.49Å; D76-Q79 PolarHBondContact O-N 2.92Å; G77-Q79 PolarHBondContact O-N 3.14Å; Q79-Y82 WeakPolarHBondContact O-CD1 3.32Å
80	Y	94.6	Very high	93.9	Very high	39 Å²	39	51.9 Å²	51.9	15%	0.153	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-105.3	1.1	-178.8	-48.4	-66.1	0	0	0	112.5	L74 G77 H78 D269 M273	L74-Y80 HydrophobicContact CD1-CD2 4.11Å; L74-Y80 HydrophobicContact CD1-CE2 3.93Å; G77-Y80 PolarHBondContact O-N 3.49Å; H78-Y80 PolarHBondContact O-N 2.94Å; Y80-D269 HydrophobicContact CD1-CB 4.29Å; Y80-D269 WeakPolarHBondContact CD1-OD1 3.31Å; Y80-D269 VanDerWaalsContact CE1-OD1 3.27Å; Y80-D269 WeakPolarHBondContact CE1-OD1 3.39Å; Y80-M273 WeakPolarHBondContact O-CG 3.38Å
81	D	93.6	Very high	94.1	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	23%	0.231	C	C	.	.			trans	-82.3	-15.2	-173.4	-81.1	-15.8	0	0	0	113.3	H78 L83 R84 E85 K112 Y114 R141	H78-D81 PolarHBondContact O-N 2.85Å; D81-L83 VanDerWaalsContact C-N 3.32Å; D81-L83 PolarHBondContact O-N 3.19Å; D81-L83 VanDerWaalsContact O-N 3.13Å; D81-R84 WeakPolarHBondContact O-CA 3.38Å; D81-R84 PolarHBondContact O-N 3.07Å; D81-E85 HydrophobicContact CB-CG 4.27Å; D81-E85 PolarHBondContact O-N 3.21Å; D81-K112 IonicContact OD1-NZ 3.84Å; D81-K112 PolarHBondContact OD1-NZ 2.7Å; D81-K112 IonicContact OD2-NZ 3.8Å; D81-K112 PolarHBondContact OD2-NZ 2.81Å; D81-Y114 HydrophobicContact CB-CE1 3.84Å; D81-Y114 VanDerWaalsContact CG-OH 3.29Å; D81-Y114 PolarHBondContact OD1-OH 2.91Å; D81-R141 IonicContact OD2-CZ 2.75Å; D81-R141 IonicContact OD2-NH2 2.9Å; D81-R141 PolarHBondContact OD2-NH2 3.23Å
82	Y	94.8	Very high	94.2	Very high	56 Å²	56	46.1 Å²	46.1	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-51.3	-42.3	-169.3	58.6	-95.1	0	0	0	114.6	Q79 R84 E85 E86 V258 Y260 D269 M273	Q79-Y82 WeakPolarHBondContact O-CD1 3.32Å; Y82-R84 VanDerWaalsContact C-N 3.33Å; Y82-R84 PolarHBondContact O-N 3.43Å; Y82-E85 PolarHBondContact O-N 3.27Å; Y82-E86 WeakPolarHBondContact O-CB 3.45Å; Y82-E86 PolarHBondContact O-N 2.87Å; Y82-V258 HydrophobicContact CE2-CG1 4.15Å; Y82-V258 HydrophobicContact CE2-CG2 4.07Å; Y82-Y260 PolarHBondContact OH-OH 2.84Å; Y82-D269 WeakPolarHBondContact CE1-OD2 3.47Å; Y82-D269 PolarHBondContact OH-OD2 3.39Å; Y82-M273 HydrophobicContact CD1-CE 4.42Å; Y82-M273 HydrophobicContact CD2-CE 4.43Å; Y82-M273 HydrophobicContact CE1-CE 3.61Å; Y82-M273 HydrophobicContact CE2-CE 3.57Å; Y82-M273 WeakPolarHBondContact OH-CE 3.38Å
83	L	95.3	Very high	94.3	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-36.8	-179.4	-177.7	64.1	0	0	0	111.1	D81 V87 F171 V256 M273 F313	D81-L83 VanDerWaalsContact C-N 3.32Å; D81-L83 PolarHBondContact O-N 3.19Å; D81-L83 VanDerWaalsContact O-N 3.13Å; L83-V87 HydrophobicContact CD1-CG2 4.44Å; L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.24Å; L83-V87 WeakPolarHBondContact O-CG2 3.45Å; L83-V87 PolarHBondContact O-N 3.2Å; L83-F171 HydrophobicContact CD2-CE1 4.1Å; L83-F171 HydrophobicContact CD2-CE2 4.5Å; L83-F171 HydrophobicContact CD2-CZ 3.81Å; L83-V256 HydrophobicContact CD1-CB 4.22Å; L83-V256 HydrophobicContact CD1-CG1 3.97Å; L83-M273 HydrophobicContact CB-CE 4.25Å; L83-M273 HydrophobicContact CD2-SD 4.48Å; L83-F313 HydrophobicContact CD1-CB 4.25Å; L83-F313 HydrophobicContact CD1-CD2 4.36Å; L83-F313 HydrophobicContact CD1-CG 4.23Å; L83-F313 HydrophobicContact CD2-CB 4.33Å; L83-F313 HydrophobicContact CD2-CD1 3.47Å; L83-F313 VanDerWaalsContact CD2-CD1 3.47Å; L83-F313 HydrophobicContact CD2-CD2 4.18Å; L83-F313 HydrophobicContact CD2-CE1 3.67Å; L83-F313 HydrophobicContact CD2-CE2 4.36Å; L83-F313 HydrophobicContact CD2-CG 3.74Å; L83-F313 HydrophobicContact CD2-CZ 4.12Å
84	R	95.1	Very high	94.5	Very high	28 Å²	28	46.8 Å²	46.8	11%	0.106	22%	0.222	C	C	.	.	H	α-helix	trans	-76.1	-32.2	177.6	-68.2	-166.7	179.1	84.7	-2.5	112.6	D81 Y82 G88 Y114 F171 M273 E275	D81-R84 WeakPolarHBondContact O-CA 3.38Å; D81-R84 PolarHBondContact O-N 3.07Å; Y82-R84 VanDerWaalsContact C-N 3.33Å; Y82-R84 PolarHBondContact O-N 3.43Å; R84-G88 WeakPolarHBondContact O-CA 3.41Å; R84-G88 PolarHBondContact O-N 3.5Å; R84-Y114 HydrophobicContact CB-CD1 3.82Å; R84-Y114 HydrophobicContact CB-CD2 3.8Å; R84-Y114 HydrophobicContact CB-CE1 3.81Å; R84-Y114 HydrophobicContact CB-CE2 3.8Å; R84-Y114 HydrophobicContact CB-CG 3.8Å; R84-Y114 HydrophobicContact CG-CE2 4.25Å; R84-Y114 WeakPolarHBondContact O-CB 3.47Å; R84-F171 HydrophobicContact CG-CD1 4.3Å; R84-M273 PolarHBondContact NH1-O 3.18Å; R84-M273 PolarHBondContact NH2-O 3.13Å; R84-E275 IonicContact CZ-OE1 2.61Å; R84-E275 VanDerWaalsContact NH2-CG 3.34Å; R84-E275 IonicContact NH2-OE1 3.83Å; R84-E275 PolarHBondContact NH2-OE1 3.38Å
85	E	94.9	Very high	94.7	Very high	66 Å²	66	44.5 Å²	44.5	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-62.8	-50.8	170.5	-70.2	177.1	165.7	0	0	110.3	D81 Y82 V87 G88 S89 Y114 R141	D81-E85 HydrophobicContact CB-CG 4.27Å; D81-E85 PolarHBondContact O-N 3.21Å; Y82-E85 PolarHBondContact O-N 3.27Å; E85-V87 PolarHBondContact O-N 3.39Å; E85-G88 PolarHBondContact O-N 2.93Å; E85-S89 PolarHBondContact O-N 3.35Å; E85-Y114 HydrophobicContact CG-CD1 3.98Å; E85-Y114 HydrophobicContact CG-CE1 4.35Å; E85-R141 IonicContact OE1-CZ 2.7Å; E85-R141 IonicContact OE1-NH1 2.85Å; E85-R141 PolarHBondContact OE1-NH1 3.29Å; E85-R141 IonicContact OE1-NH2 2.81Å; E85-R141 PolarHBondContact OE1-NH2 3.42Å
86	E	96.1	Very high	95.1	Very high	81 Å²	81	40.6 Å²	40.6	38%	0.379	19%	0.189	S	C	.	.	H	α-helix	trans	-57.8	-51.1	178.3	179.7	63.3	-163.9	0	0	111.8	Y82 G88 S89 R90	Y82-E86 WeakPolarHBondContact O-CB 3.45Å; Y82-E86 PolarHBondContact O-N 2.87Å; E86-G88 VanDerWaalsContact C-N 3.32Å; E86-G88 PolarHBondContact O-N 2.79Å; E86-S89 PolarHBondContact O-N 3.48Å; E86-R90 WeakPolarHBondContact O-CG 3.35Å; E86-R90 PolarHBondContact O-N 3.04Å; E86-R90 VanDerWaalsContact O-N 3.1Å; E86-R90 IonicContact OE1-CZ 3.79Å; E86-R90 IonicContact OE1-NE 3.57Å; E86-R90 PolarHBondContact OE1-NE 3.49Å; E86-R90 IonicContact OE1-NH2 2.72Å; E86-R90 PolarHBondContact OE1-NH2 3.47Å
87	V	97.1	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-36.3	178.2	178.2	0	0	0	0	111.1	L83 E85 R90 V91 S170 A199 I315 Y317	L83-V87 HydrophobicContact CD1-CG2 4.44Å; L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.24Å; L83-V87 WeakPolarHBondContact O-CG2 3.45Å; L83-V87 PolarHBondContact O-N 3.2Å; E85-V87 PolarHBondContact O-N 3.39Å; V87-R90 PolarHBondContact O-N 2.94Å; V87-V91 HydrophobicContact CG1-CG2 4.41Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.41Å; V87-V91 PolarHBondContact O-N 2.88Å; V87-S170 WeakPolarHBondContact CG1-OG 3.47Å; V87-A199 HydrophobicContact CG1-CB 3.5Å; V87-A199 VanDerWaalsContact CG1-CB 3.5Å; V87-I315 HydrophobicContact CG1-CG2 4.1Å; V87-I315 HydrophobicContact CG2-CD1 3.97Å; V87-I315 HydrophobicContact CG2-CG1 4.01Å; V87-I315 HydrophobicContact CG2-CG2 4.2Å; V87-Y317 HydrophobicContact CG1-CE1 4.37Å
88	G	96.9	Very high	95.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-46.1	175.4	0	0	0	0	0	112.6	R84 E85 E86 V91 A92	R84-G88 WeakPolarHBondContact O-CA 3.41Å; R84-G88 PolarHBondContact O-N 3.5Å; E85-G88 PolarHBondContact O-N 2.93Å; E86-G88 VanDerWaalsContact C-N 3.32Å; E86-G88 PolarHBondContact O-N 2.79Å; G88-V91 PolarHBondContact O-N 2.83Å; G88-A92 PolarHBondContact O-N 3.3Å
89	S	96.7	Very high	95.8	Very high	34 Å²	34	43.1 Å²	43.1	24%	0.238	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-48.2	174.5	-170.3	0	0	0	0	111.5	E85 E86 V91 A92 D93	E85-S89 PolarHBondContact O-N 3.35Å; E86-S89 PolarHBondContact O-N 3.48Å; S89-V91 VanDerWaalsContact C-N 3.29Å; S89-V91 PolarHBondContact O-N 3.09Å; S89-A92 WeakPolarHBondContact O-CA 3.46Å; S89-A92 WeakPolarHBondContact O-CB 3.3Å; S89-A92 PolarHBondContact O-N 3.08Å; S89-D93 PolarHBondContact O-N 2.96Å
90	R	97.6	Very high	95.8	Very high	57 Å²	57	43.3 Å²	43.3	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-29	179.9	-69.3	178.7	-174.8	-159.3	13.9	114	E86 V87 R94 D254 Y317	E86-R90 WeakPolarHBondContact O-CG 3.35Å; E86-R90 PolarHBondContact O-N 3.04Å; E86-R90 VanDerWaalsContact O-N 3.1Å; E86-R90 IonicContact OE1-CZ 3.79Å; E86-R90 IonicContact OE1-NE 3.57Å; E86-R90 PolarHBondContact OE1-NE 3.49Å; E86-R90 IonicContact OE1-NH2 2.72Å; E86-R90 PolarHBondContact OE1-NH2 3.47Å; V87-R90 PolarHBondContact O-N 2.94Å; R90-R94 PolarHBondContact O-N 3.4Å; R90-R94 PolarHBondContact O-NH1 2.87Å; R90-D254 IonicContact CZ-OD2 3.84Å; R90-D254 IonicContact NH1-OD2 3.9Å; R90-D254 PolarHBondContact NH1-OD2 2.96Å; R90-Y317 HydrophobicContact CB-CE1 4.04Å; R90-Y317 WeakPolarHBondContact CB-OH 3.41Å; R90-Y317 WeakPolarHBondContact CD-OH 3.49Å
91	V	97.9	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71	-40.8	170.7	170.7	0	0	0	0	110.4	V87 G88 S89 R94 V95 I115 V168 I197 A199 Y317	V87-V91 HydrophobicContact CG1-CG2 4.41Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.41Å; V87-V91 PolarHBondContact O-N 2.88Å; G88-V91 PolarHBondContact O-N 2.83Å; S89-V91 VanDerWaalsContact C-N 3.29Å; S89-V91 PolarHBondContact O-N 3.09Å; V91-R94 PolarHBondContact O-N 2.81Å; V91-V95 WeakPolarHBondContact O-CG2 3.3Å; V91-V95 PolarHBondContact O-N 3.34Å; V91-V95 VanDerWaalsContact O-N 3.13Å; V91-I115 HydrophobicContact CB-CG1 4.42Å; V91-I115 HydrophobicContact CG1-CD1 3.88Å; V91-I115 HydrophobicContact CG1-CG1 4.21Å; V91-I115 HydrophobicContact CG1-CG2 4.09Å; V91-V168 HydrophobicContact CG1-CB 4.44Å; V91-V168 HydrophobicContact CG1-CG1 4.46Å; V91-I197 HydrophobicContact CG1-CG2 4.07Å; V91-A199 HydrophobicContact CG2-CB 3.54Å; V91-Y317 HydrophobicContact CG2-CD1 4.32Å; V91-Y317 HydrophobicContact CG2-CE1 4.06Å
92	A	97.3	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-40.5	176.3	0	0	0	0	0	112.1	G88 S89 R94 V95 Y96 I115 H118 L119	G88-A92 PolarHBondContact O-N 3.3Å; S89-A92 WeakPolarHBondContact O-CA 3.46Å; S89-A92 WeakPolarHBondContact O-CB 3.3Å; S89-A92 PolarHBondContact O-N 3.08Å; A92-R94 VanDerWaalsContact C-N 3.29Å; A92-R94 PolarHBondContact O-N 2.91Å; A92-V95 WeakPolarHBondContact O-CA 3.39Å; A92-V95 VanDerWaalsContact O-CB 3.29Å; A92-V95 WeakPolarHBondContact O-CB 3.49Å; A92-V95 PolarHBondContact O-N 2.91Å; A92-Y96 WeakPolarHBondContact O-CD2 3.15Å; A92-Y96 PolarHBondContact O-N 2.67Å; A92-I115 HydrophobicContact CB-CG2 4.3Å; A92-H118 HydrophobicContact CB-CB 3.51Å; A92-L119 HydrophobicContact CB-CD2 3.81Å; A92-L119 HydrophobicContact CB-CG 4.11Å
93	D	97.1	Very high	96.2	Very high	83 Å²	83	43.3 Å²	43.3	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-55.4	-45.2	174	-67.2	-24.2	0	0	0	111.5	S89 V95 Y96 D97	S89-D93 PolarHBondContact O-N 2.96Å; D93-V95 VanDerWaalsContact C-N 3.25Å; D93-V95 PolarHBondContact O-N 2.9Å; D93-Y96 WeakPolarHBondContact O-CA 3.29Å; D93-Y96 WeakPolarHBondContact O-CB 3.47Å; D93-Y96 PolarHBondContact O-N 2.9Å; D93-D97 PolarHBondContact O-N 3.13Å
94	R	97.3	Very high	96.4	Very high	29 Å²	29	45 Å²	45	11%	0.109	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-25	175.3	-72.7	174	168	79	-2.1	113.8	R90 V91 A92 I197 D252 Y317 I319	R90-R94 PolarHBondContact O-N 3.4Å; R90-R94 PolarHBondContact O-NH1 2.87Å; V91-R94 PolarHBondContact O-N 2.81Å; A92-R94 VanDerWaalsContact C-N 3.29Å; A92-R94 PolarHBondContact O-N 2.91Å; R94-I197 HydrophobicContact CB-CG2 4.23Å; R94-D252 IonicContact CZ-OD2 2.79Å; R94-D252 IonicContact NE-OD2 3.2Å; R94-D252 PolarHBondContact NE-OD2 2.95Å; R94-D252 IonicContact NH2-OD2 3.86Å; R94-D252 PolarHBondContact NH2-OD2 3.36Å; R94-Y317 VanDerWaalsContact CZ-CG 3.45Å; R94-I319 HydrophobicContact CB-CD1 4.36Å
95	V	97.6	Very high	96.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.5	-41.6	170.2	177	0	0	0	0	109.7	V91 A92 D93 I98 F102 L119 V123 V124 L166 V168 I197	V91-V95 WeakPolarHBondContact O-CG2 3.3Å; V91-V95 PolarHBondContact O-N 3.34Å; V91-V95 VanDerWaalsContact O-N 3.13Å; A92-V95 WeakPolarHBondContact O-CA 3.39Å; A92-V95 VanDerWaalsContact O-CB 3.29Å; A92-V95 WeakPolarHBondContact O-CB 3.49Å; A92-V95 PolarHBondContact O-N 2.91Å; D93-V95 VanDerWaalsContact C-N 3.25Å; D93-V95 PolarHBondContact O-N 2.9Å; V95-I98 PolarHBondContact O-N 3.33Å; V95-F102 HydrophobicContact CG1-CD2 4.28Å; V95-F102 HydrophobicContact CG1-CE2 3.98Å; V95-L119 HydrophobicContact CB-CD2 3.9Å; V95-L119 HydrophobicContact CG1-CD2 3.87Å; V95-L119 HydrophobicContact CG2-CD2 4.27Å; V95-V123 HydrophobicContact CG1-CG1 3.85Å; V95-V124 HydrophobicContact CG1-CG2 4.45Å; V95-L166 HydrophobicContact CG1-CD2 3.97Å; V95-L166 HydrophobicContact CG2-CD2 4.19Å; V95-V168 HydrophobicContact CG2-CG1 4.1Å; V95-I197 HydrophobicContact CB-CD1 4.44Å; V95-I197 HydrophobicContact CG2-CD1 3.77Å
96	Y	97.1	Very high	96.7	Very high	97 Å²	97	40.5 Å²	40.5	38%	0.38	22%	0.221	S	C	.	.	H	α-helix	trans	-69.2	-28.6	178.5	-71.4	-67.3	0	0	0	113.9	A92 D93 I98 H118 L119 S120 V123	A92-Y96 WeakPolarHBondContact O-CD2 3.15Å; A92-Y96 PolarHBondContact O-N 2.67Å; D93-Y96 WeakPolarHBondContact O-CA 3.29Å; D93-Y96 WeakPolarHBondContact O-CB 3.47Å; D93-Y96 PolarHBondContact O-N 2.9Å; Y96-I98 PolarHBondContact O-N 2.94Å; Y96-I98 VanDerWaalsContact O-N 3.12Å; Y96-H118 VanDerWaalsContact CE2-O 3.26Å; Y96-H118 WeakPolarHBondContact CE2-O 3.48Å; Y96-H118 PolarHBondContact OH-O 2.81Å; Y96-L119 HydrophobicContact CE2-CD2 4.21Å; Y96-L119 WeakPolarHBondContact OH-CA 3.41Å; Y96-S120 PolarHBondContact OH-N 3.22Å; Y96-V123 HydrophobicContact CD1-CG2 3.8Å; Y96-V123 HydrophobicContact CE1-CB 4.16Å; Y96-V123 HydrophobicContact CE1-CG2 3.54Å
97	D	95.7	Very high	96.8	Very high	130 Å²	130	36.7 Å²	36.7	70%	0.695	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.4	172.9	-70.9	-27.3	0	0	0	112.4	D93 A99	D93-D97 PolarHBondContact O-N 3.13Å; D97-A99 PolarHBondContact O-N 3.39Å
98	I	95.1	Very high	96.8	Very high	24 Å²	24	36.8 Å²	36.8	12%	0.123	20%	0.203	C	C	.	.	S	Bend	trans	-91.6	106.5	176.1	-43.1	176.9	0	0	0	109	V95 Y96 R100 F102 V195 I197 W321	V95-I98 PolarHBondContact O-N 3.33Å; Y96-I98 PolarHBondContact O-N 2.94Å; Y96-I98 VanDerWaalsContact O-N 3.12Å; I98-R100 HydrophobicContact CG2-CG 3.85Å; I98-R100 PolarHBondContact O-N 3.19Å; I98-F102 HydrophobicContact CB-CZ 4.43Å; I98-F102 HydrophobicContact CD1-CZ 4.28Å; I98-F102 HydrophobicContact CG2-CZ 4.41Å; I98-V195 HydrophobicContact CD1-CB 4.44Å; I98-V195 HydrophobicContact CD1-CG1 3.89Å; I98-V195 HydrophobicContact CD1-CG2 4.02Å; I98-I197 HydrophobicContact CD1-CD1 3.84Å; I98-W321 HydrophobicContact CD1-CZ2 4.18Å; I98-W321 HydrophobicContact CG2-CH2 3.78Å; I98-W321 HydrophobicContact CG2-CZ2 3.92Å
99	A	91.7	Very high	96.6	Very high	111 Å²	111	37 Å²	37	92%	0.917	21%	0.206	S	C	*	.			trans	-69.2	61.3	-177.6	0	0	0	0	0	114.1	D97	D97-A99 PolarHBondContact O-N 3.39Å
100	R	92.8	Very high	96.3	Very high	64 Å²	64	35.6 Å²	35.6	24%	0.242	20%	0.197	C	C	.	.	S	Bend	trans	-154.7	163.2	176.2	67.6	-170.5	163.9	169.3	-3.5	111.5	I98 F102 D193 W321	I98-R100 HydrophobicContact CG2-CG 3.85Å; I98-R100 PolarHBondContact O-N 3.19Å; R100-F102 HydrophobicContact CG-CE1 3.97Å; R100-F102 HydrophobicContact CG-CE2 3.99Å; R100-F102 HydrophobicContact CG-CZ 3.65Å; R100-D193 PolarHBondContact NH1-O 3.44Å; R100-W321 VanDerWaalsContact NH2-CZ2 3.34Å
101	S	95.9	Very high	96.1	Very high	61 Å²	61	33.3 Å²	33.3	43%	0.427	19%	0.191	S	C	.	.			trans	-100.3	151.8	168.4	61.3	0	0	0	0	111.5	E122 V123	S101-E122 VanDerWaalsContact CB-O 3.26Å; S101-E122 WeakPolarHBondContact CB-O 3.41Å; S101-V123 CarbonylContact C-O 3.55Å; S101-V123 WeakPolarHBondContact CA-O 3.48Å
102	F	97.8	Very high	95.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-116.6	107.9	-178.2	-59.9	-79.2	0	0	0	109.6	V95 I98 R100 L104 V123 V124 Q125 H165 L166 V195	V95-F102 HydrophobicContact CG1-CD2 4.28Å; V95-F102 HydrophobicContact CG1-CE2 3.98Å; I98-F102 HydrophobicContact CB-CZ 4.43Å; I98-F102 HydrophobicContact CD1-CZ 4.28Å; I98-F102 HydrophobicContact CG2-CZ 4.41Å; R100-F102 HydrophobicContact CG-CE1 3.97Å; R100-F102 HydrophobicContact CG-CE2 3.99Å; R100-F102 HydrophobicContact CG-CZ 3.65Å; F102-L104 PolarHBondContact O-N 2.82Å; F102-V123 HydrophobicContact CD2-CG1 4.31Å; F102-V123 PolarHBondContact N-O 3.24Å; F102-V124 HydrophobicContact CB-CG2 4.43Å; F102-V124 HydrophobicContact CD2-CG2 4.43Å; F102-Q125 PolarHBondContact O-N 3.3Å; F102-H165 HydrophobicContact CB-CB 4.47Å; F102-H165 HydrophobicContact CD1-CB 3.97Å; F102-L166 HydrophobicContact CB-CB 4.04Å; F102-L166 HydrophobicContact CB-CD2 4.44Å; F102-L166 HydrophobicContact CD1-CB 3.6Å; F102-L166 HydrophobicContact CD2-CB 4.33Å; F102-L166 HydrophobicContact CD2-CD2 3.86Å; F102-L166 HydrophobicContact CE1-CB 4.03Å; F102-L166 HydrophobicContact CE2-CD2 4.19Å; F102-L166 HydrophobicContact CG-CB 3.74Å; F102-L166 HydrophobicContact CG-CD2 4.06Å; F102-L166 HydrophobicContact CG-CG 4.48Å; F102-L166 HydrophobicContact CZ-CD1 4.49Å; F102-V195 HydrophobicContact CE1-CG1 3.66Å; F102-V195 HydrophobicContact CZ-CG1 3.74Å
103	P	98.1	Very high	95.5	Very high	39 Å²	39	34.8 Å²	34.8	25%	0.253	20%	0.198	S	C	.	.	S	Bend	trans	-64.3	-22.9	-178.8	-26.4	34.7	0	0	0	115.1	R126	P103-R126 PolarHBondContact O-NE 2.8Å
104	L	98.4	Very high	95.4	Very high	38 Å²	38	31.7 Å²	31.7	20%	0.199	18%	0.18	C	C	.	.	S	Bend	trans	-155.4	122.3	178.6	-174.6	64.7	0	0	0	109.8	F102 R126 V128 F164 H165	F102-L104 PolarHBondContact O-N 2.82Å; L104-R126 WeakPolarHBondContact CA-O 3.3Å; L104-R126 HydrophobicContact CD1-CB 3.8Å; L104-V128 HydrophobicContact CD1-CG2 4.14Å; L104-F164 HydrophobicContact CD1-CE1 4.48Å; L104-F164 HydrophobicContact CD2-CD1 3.94Å; L104-F164 HydrophobicContact CD2-CE1 3.94Å; L104-F164 HydrophobicContact CG-CD1 3.74Å; L104-F164 HydrophobicContact CG-CE1 3.93Å; L104-H165 PolarHBondContact O-N 2.79Å
105	A	98.4	Very high	95.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153.1	175.7	0	0	0	0	0	111.8	V124 R126 L127 V128 L166	A105-V124 HydrophobicContact CB-CG1 3.63Å; A105-R126 PolarHBondContact N-O 2.96Å; A105-L127 HydrophobicContact CB-CD1 3.73Å; A105-V128 PolarHBondContact O-N 3.42Å; A105-L166 CarbonylContact C-O 3.53Å; A105-L166 WeakPolarHBondContact CA-O 3.3Å; A105-L166 HydrophobicContact CB-CB 3.9Å; A105-L166 HydrophobicContact CB-CD2 3.94Å; A105-L166 HydrophobicContact CB-CG 4.05Å
106	L	98.4	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.1	169.5	172.8	63.4	0	0	0	108.7	M108 V128 T130 L157 F159 F164 L166 V167 V168 V189	L106-M108 HydrophobicContact CG-CB 4.47Å; L106-V128 CarbonylContact C-O 3.54Å; L106-V128 WeakPolarHBondContact CA-O 3.28Å; L106-V128 HydrophobicContact CD1-CB 4.17Å; L106-V128 HydrophobicContact CD1-CG1 4.04Å; L106-V128 WeakPolarHBondContact CD1-O 3.33Å; L106-T130 HydrophobicContact CD1-CG2 3.83Å; L106-L157 HydrophobicContact CD2-CD1 4.25Å; L106-F159 HydrophobicContact CD1-CD2 4.44Å; L106-F159 HydrophobicContact CD1-CE2 3.59Å; L106-F159 HydrophobicContact CD1-CZ 3.97Å; L106-F159 HydrophobicContact CD2-CD2 4.06Å; L106-F159 HydrophobicContact CD2-CE2 3.92Å; L106-F159 HydrophobicContact CG-CE2 4.44Å; L106-F164 HydrophobicContact CB-CD1 3.66Å; L106-F164 HydrophobicContact CB-CD2 4.19Å; L106-F164 HydrophobicContact CB-CE1 3.75Å; L106-F164 HydrophobicContact CB-CE2 4.25Å; L106-F164 HydrophobicContact CB-CG 3.9Å; L106-F164 HydrophobicContact CB-CZ 4.05Å; L106-F164 HydrophobicContact CD1-CZ 4.3Å; L106-F164 HydrophobicContact CD2-CD2 4.33Å; L106-F164 HydrophobicContact CD2-CE2 4.13Å; L106-F164 HydrophobicContact CD2-CZ 4.45Å; L106-L166 PolarHBondContact N-O 2.85Å; L106-V167 HydrophobicContact CB-CG1 4.44Å; L106-V167 HydrophobicContact CB-CG2 4.15Å; L106-V167 HydrophobicContact CD2-CG1 4.24Å; L106-V167 HydrophobicContact CD2-CG2 4.28Å; L106-V167 HydrophobicContact CG-CG1 4.43Å; L106-V167 CarbonylContact O-C 3.56Å; L106-V167 WeakPolarHBondContact O-CA 3.35Å; L106-V168 PolarHBondContact O-N 3Å; L106-V189 HydrophobicContact CD2-CG2 4.44Å
107	D	97.7	Very high	95	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.8	165.1	-174.5	-0.3	0	0	0	108.8	G110 L127 V128 L129 T130 V168	D107-G110 VanDerWaalsContact OD1-CA 3.27Å; D107-G110 WeakPolarHBondContact OD1-CA 3.46Å; D107-L127 HydrophobicContact CB-CD1 4.02Å; D107-L127 HydrophobicContact CB-CD2 4.27Å; D107-L127 HydrophobicContact CB-CG 4.32Å; D107-V128 PolarHBondContact N-O 3.25Å; D107-L129 HydrophobicContact CB-CD1 3.77Å; D107-L129 WeakPolarHBondContact OD2-CD1 3.31Å; D107-T130 PolarHBondContact O-N 2.92Å; D107-T130 PolarHBondContact O-OG1 3.43Å; D107-T130 VanDerWaalsContact O-OG1 3.13Å; D107-V168 HydrophobicContact CB-CG2 3.86Å
108	M	96.9	Very high	95	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123	-175.1	-174.2	-174.8	67.9	0	0	111.3	L106 G110 T130 E154 L157 V168 S169 L173 V182 I186	L106-M108 HydrophobicContact CG-CB 4.47Å; M108-G110 PolarHBondContact O-N 3.42Å; M108-T130 WeakPolarHBondContact CA-OG1 3.37Å; M108-E154 HydrophobicContact CG-CB 4.08Å; M108-E154 HydrophobicContact CG-CG 3.83Å; M108-E154 HydrophobicContact SD-CB 4.11Å; M108-L157 HydrophobicContact CG-CD2 4.16Å; M108-L157 HydrophobicContact SD-CD1 4.15Å; M108-L157 HydrophobicContact SD-CD2 3.94Å; M108-L157 HydrophobicContact SD-CG 4.45Å; M108-V168 PolarHBondContact N-O 3.44Å; M108-S169 WeakPolarHBondContact O-CA 3.16Å; M108-S169 WeakPolarHBondContact O-CB 3.24Å; M108-S169 PolarHBondContact O-OG 3.11Å; M108-L173 HydrophobicContact CE-CD1 4.45Å; M108-L173 HydrophobicContact CE-CD2 3.4Å; M108-L173 VanDerWaalsContact CE-CD2 3.4Å; M108-L173 HydrophobicContact CE-CG 4.05Å; M108-V182 HydrophobicContact CE-CG1 4.13Å; M108-V182 HydrophobicContact SD-CG1 4.3Å; M108-I186 HydrophobicContact CE-CD1 3.58Å; M108-I186 HydrophobicContact CE-CG1 4.17Å; M108-I186 HydrophobicContact SD-CD1 4.21Å; M108-I186 HydrophobicContact SD-CG1 4.14Å
109	G	94.2	Very high	95	Very high	6 Å²	6	26.4 Å²	26.4	6%	0.062	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	25.4	-174.8	0	0	0	0	0	112.9	G111 T130 E154	G109-G111 PolarHBondContact O-N 2.82Å; G109-T130 CarbonylContact C-O 3.56Å; G109-T130 VanDerWaalsContact CA-O 3.26Å; G109-T130 WeakPolarHBondContact CA-O 3.45Å; G109-T130 PolarHBondContact N-O 2.98Å; G109-E154 VanDerWaalsContact CA-OE1 3.32Å; G109-E154 WeakPolarHBondContact CA-OE1 3.39Å
110	G	89.8	Confident	95.2	Very high	4 Å²	4	22.5 Å²	22.5	4%	0.041	12%	0.122	C	C	.	.			trans	-73.3	-7.5	-168.3	0	0	0	0	0	114.9	D107 M108 K112 S113 T130	D107-G110 VanDerWaalsContact OD1-CA 3.27Å; D107-G110 WeakPolarHBondContact OD1-CA 3.46Å; M108-G110 PolarHBondContact O-N 3.42Å; G110-K112 PolarHBondContact O-N 3.14Å; G110-S113 WeakPolarHBondContact O-CA 3.36Å; G110-S113 PolarHBondContact O-N 2.86Å; G110-T130 PolarHBondContact N-O 3.19Å; G110-T130 VanDerWaalsContact N-O 3.11Å
111	G	92.3	Very high	95.3	Very high	9 Å²	9	24.8 Å²	24.8	9%	0.093	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-106.7	177.9	0	0	0	0	0	113.1	G109 S113 D131 A136	G109-G111 PolarHBondContact O-N 2.82Å; G111-S113 VanDerWaalsContact C-N 3.3Å; G111-D131 WeakPolarHBondContact CA-OD2 3.16Å; G111-D131 PolarHBondContact N-OD2 3.32Å; G111-D131 VanDerWaalsContact N-OD2 3.13Å; G111-A136 CarbonylContact O-C 3.57Å
112	K	91.9	Very high	95.3	Very high	26 Å²	26	29.8 Å²	29.8	11%	0.113	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	5.5	177.3	-55.2	-178.2	-171.4	158.3	0	113.7	D81 G110 Y114 L139 R141	D81-K112 IonicContact OD1-NZ 3.84Å; D81-K112 PolarHBondContact OD1-NZ 2.7Å; D81-K112 IonicContact OD2-NZ 3.8Å; D81-K112 PolarHBondContact OD2-NZ 2.81Å; G110-K112 PolarHBondContact O-N 3.14Å; K112-Y114 HydrophobicContact CB-CE1 4.47Å; K112-Y114 HydrophobicContact CB-CE2 4.07Å; K112-Y114 WeakPolarHBondContact CD-OH 3.3Å; K112-Y114 HydrophobicContact CG-CE2 4.44Å; K112-L139 HydrophobicContact CD-CB 4.37Å; K112-L139 HydrophobicContact CG-CB 4.11Å; K112-R141 HydrophobicContact CB-CG 4.32Å; K112-R141 WeakPolarHBondContact O-CB 3.48Å; K112-R141 WeakPolarHBondContact O-CG 3.45Å; K112-R141 PolarHBondContact O-N 3.26Å
113	S	92.3	Very high	95.2	Very high	5 Å²	5	30.8 Å²	30.8	4%	0.035	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	48.3	-178.8	-157	0	0	0	0	114.7	G110 G111 I115 A116	G110-S113 WeakPolarHBondContact O-CA 3.36Å; G110-S113 PolarHBondContact O-N 2.86Å; G111-S113 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.13Å; S113-I115 VanDerWaalsContact O-N 3.15Å; S113-A116 PolarHBondContact O-N 2.78Å; S113-A116 VanDerWaalsContact O-N 3.17Å; S113-A116 WeakPolarHBondContact OG-CB 3.41Å
114	Y	94.6	Very high	95.2	Very high	18 Å²	18	29 Å²	29	7%	0.071	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.7	-176.8	-58.9	-84.7	0	0	0	114.2	D81 R84 E85 K112 H118	D81-Y114 HydrophobicContact CB-CE1 3.84Å; D81-Y114 VanDerWaalsContact CG-OH 3.29Å; D81-Y114 PolarHBondContact OD1-OH 2.91Å; R84-Y114 HydrophobicContact CB-CD1 3.82Å; R84-Y114 HydrophobicContact CB-CD2 3.8Å; R84-Y114 HydrophobicContact CB-CE1 3.81Å; R84-Y114 HydrophobicContact CB-CE2 3.8Å; R84-Y114 HydrophobicContact CB-CG 3.8Å; R84-Y114 HydrophobicContact CG-CE2 4.25Å; R84-Y114 WeakPolarHBondContact O-CB 3.47Å; E85-Y114 HydrophobicContact CG-CD1 3.98Å; E85-Y114 HydrophobicContact CG-CE1 4.35Å; K112-Y114 HydrophobicContact CB-CE1 4.47Å; K112-Y114 HydrophobicContact CB-CE2 4.07Å; K112-Y114 WeakPolarHBondContact CD-OH 3.3Å; K112-Y114 HydrophobicContact CG-CE2 4.44Å; Y114-H118 PolarHBondContact O-CD2 2.79Å; Y114-H118 VanDerWaalsContact O-CD2 3.24Å
115	I	96.1	Very high	95.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-41.8	178.8	-52.6	168.4	0	0	0	110.6	V91 A92 S113 E117 H118 L119 V168	V91-I115 HydrophobicContact CB-CG1 4.42Å; V91-I115 HydrophobicContact CG1-CD1 3.88Å; V91-I115 HydrophobicContact CG1-CG1 4.21Å; V91-I115 HydrophobicContact CG1-CG2 4.09Å; A92-I115 HydrophobicContact CB-CG2 4.3Å; S113-I115 PolarHBondContact O-N 3.13Å; S113-I115 VanDerWaalsContact O-N 3.15Å; I115-E117 PolarHBondContact O-N 2.93Å; I115-H118 PolarHBondContact O-N 2.99Å; I115-L119 HydrophobicContact CG2-CD1 3.72Å; I115-L119 HydrophobicContact CG2-CG 4.17Å; I115-V168 HydrophobicContact CD1-CB 3.75Å; I115-V168 HydrophobicContact CD1-CG2 3.5Å
116	A	94.3	Very high	95.2	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.017	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.5	-170.4	0	0	0	0	0	114	S113 H118 L119 L127 S143	S113-A116 PolarHBondContact O-N 2.78Å; S113-A116 VanDerWaalsContact O-N 3.17Å; S113-A116 WeakPolarHBondContact OG-CB 3.41Å; A116-H118 PolarHBondContact O-N 3.2Å; A116-L119 PolarHBondContact O-N 2.96Å; A116-L127 HydrophobicContact CB-CD2 3.56Å; A116-S143 WeakPolarHBondContact O-CB 3.46Å; A116-S143 PolarHBondContact O-OG 2.96Å
117	E	92	Very high	95.2	Very high	94 Å²	94	37.9 Å²	37.9	44%	0.439	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.3	173.6	-178.5	169.9	-173.5	0	0	111.9	I115 R141	I115-E117 PolarHBondContact O-N 2.93Å; E117-R141 WeakPolarHBondContact OE2-CD 3.36Å; E117-R141 IonicContact OE2-CZ 3.71Å; E117-R141 IonicContact OE2-NE 3.13Å; E117-R141 IonicContact OE2-NH1 2.78Å; E117-R141 PolarHBondContact OE2-NH1 3.03Å
118	H	95.4	Very high	95.2	Very high	62 Å²	62	38.8 Å²	38.8	29%	0.287	19%	0.185	S	C	.	.	S	Bend	trans	-98.7	-2.7	-178.1	-56.5	-71.8	0	0	0	113.3	A92 Y96 Y114 I115 A116	A92-H118 HydrophobicContact CB-CB 3.51Å; Y96-H118 VanDerWaalsContact CE2-O 3.26Å; Y96-H118 WeakPolarHBondContact CE2-O 3.48Å; Y96-H118 PolarHBondContact OH-O 2.81Å; Y114-H118 PolarHBondContact O-CD2 2.79Å; Y114-H118 VanDerWaalsContact O-CD2 3.24Å; I115-H118 PolarHBondContact O-N 2.99Å; A116-H118 PolarHBondContact O-N 3.2Å
119	L	95.9	Very high	95.2	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	19%	0.185	C	C	.	.			trans	-101.2	138.1	-178.4	-67.9	175.7	0	0	0	111.8	A92 V95 Y96 I115 A116 V124 I145	A92-L119 HydrophobicContact CB-CD2 3.81Å; A92-L119 HydrophobicContact CB-CG 4.11Å; V95-L119 HydrophobicContact CB-CD2 3.9Å; V95-L119 HydrophobicContact CG1-CD2 3.87Å; V95-L119 HydrophobicContact CG2-CD2 4.27Å; Y96-L119 HydrophobicContact CE2-CD2 4.21Å; Y96-L119 WeakPolarHBondContact OH-CA 3.41Å; I115-L119 HydrophobicContact CG2-CD1 3.72Å; I115-L119 HydrophobicContact CG2-CG 4.17Å; A116-L119 PolarHBondContact O-N 2.96Å; L119-V124 HydrophobicContact CD1-CG2 4.04Å; L119-I145 HydrophobicContact CB-CD1 3.45Å; L119-I145 VanDerWaalsContact CB-CD1 3.45Å; L119-I145 HydrophobicContact CD1-CD1 4.43Å
120	S	95.6	Very high	95.3	Very high	28 Å²	28	38.5 Å²	38.5	20%	0.196	18%	0.182	C	C	.	.			trans	-88.8	153.2	174	78.9	0	0	0	0	111.9	Y96 E122 V123 V124	Y96-S120 PolarHBondContact OH-N 3.22Å; S120-E122 PolarHBondContact O-N 3.07Å; S120-V123 PolarHBondContact O-N 2.88Å; S120-V123 PolarHBondContact OG-N 2.91Å; S120-V124 PolarHBondContact O-N 2.72Å
121	K	96	Very high	95.6	Very high	113 Å²	113	38.4 Å²	38.4	49%	0.491	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.4	175.5	-172.4	179.8	175.3	-174	0	113.3	V124 E144	K121-V124 WeakPolarHBondContact CA-O 3.19Å; K121-V124 CarbonylContact O-C 3.59Å; K121-E144 HydrophobicContact CB-CB 4.49Å
122	E	94.9	Very high	95.8	Very high	165 Å²	165	38.5 Å²	38.5	77%	0.771	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-38.2	176.6	-62.5	-178.4	174.4	0	0	111.5	S101 S120	S101-E122 VanDerWaalsContact CB-O 3.26Å; S101-E122 WeakPolarHBondContact CB-O 3.41Å; S120-E122 PolarHBondContact O-N 3.07Å
123	V	97.1	Very high	95.9	Very high	24 Å²	24	37.2 Å²	37.2	15%	0.145	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-44.8	178.1	178.1	0	0	0	0	111.3	V95 Y96 S101 F102 S120	V95-V123 HydrophobicContact CG1-CG1 3.85Å; Y96-V123 HydrophobicContact CD1-CG2 3.8Å; Y96-V123 HydrophobicContact CE1-CB 4.16Å; Y96-V123 HydrophobicContact CE1-CG2 3.54Å; S101-V123 CarbonylContact C-O 3.55Å; S101-V123 WeakPolarHBondContact CA-O 3.48Å; F102-V123 HydrophobicContact CD2-CG1 4.31Å; F102-V123 PolarHBondContact N-O 3.24Å; S120-V123 PolarHBondContact O-N 2.88Å; S120-V123 PolarHBondContact OG-N 2.91Å
124	V	97.9	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-121.8	109.7	177.3	179.4	0	0	0	0	110	V95 F102 A105 L119 S120 K121 I145 L166	V95-V124 HydrophobicContact CG1-CG2 4.45Å; F102-V124 HydrophobicContact CB-CG2 4.43Å; F102-V124 HydrophobicContact CD2-CG2 4.43Å; A105-V124 HydrophobicContact CB-CG1 3.63Å; L119-V124 HydrophobicContact CD1-CG2 4.04Å; S120-V124 PolarHBondContact O-N 2.72Å; K121-V124 WeakPolarHBondContact CA-O 3.19Å; K121-V124 CarbonylContact O-C 3.59Å; V124-I145 HydrophobicContact CB-CD1 3.88Å; V124-I145 HydrophobicContact CG1-CD1 4.21Å; V124-I145 HydrophobicContact CG1-CG2 4.21Å; V124-I145 WeakPolarHBondContact O-CG1 3.42Å; V124-I145 WeakPolarHBondContact O-CG2 3.42Å; V124-L166 HydrophobicContact CG2-CD2 4.01Å
125	Q	97.9	Very high	96	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	21%	0.212	S	C	.	.	S	Bend	trans	-77.6	-32.4	-171.6	-61.4	179.5	5.8	0	0	113.4	F102 P146	F102-Q125 PolarHBondContact O-N 3.3Å; Q125-P146 WeakPolarHBondContact O-CD 3.48Å
126	R	98	Very high	95.8	Very high	138 Å²	138	45.9 Å²	45.9	52%	0.521	22%	0.216	S	C	.	.			trans	-149.6	141.9	-179.4	-70.1	-179	-69	-174.1	-4.3	110	P103 L104 A105	P103-R126 PolarHBondContact O-NE 2.8Å; L104-R126 WeakPolarHBondContact CA-O 3.3Å; L104-R126 HydrophobicContact CD1-CB 3.8Å; A105-R126 PolarHBondContact N-O 2.96Å
127	L	97.8	Very high	95.8	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.8	179.6	-168.1	66.9	0	0	0	110.8	A105 D107 A116 I145 P146 T147 R148	A105-L127 HydrophobicContact CB-CD1 3.73Å; D107-L127 HydrophobicContact CB-CD1 4.02Å; D107-L127 HydrophobicContact CB-CD2 4.27Å; D107-L127 HydrophobicContact CB-CG 4.32Å; A116-L127 HydrophobicContact CB-CD2 3.56Å; L127-I145 HydrophobicContact CB-CG2 3.79Å; L127-P146 PolarHBondContact N-O 2.98Å; L127-T147 HydrophobicContact CB-CG2 4.28Å; L127-T147 HydrophobicContact CD2-CG2 4.19Å; L127-T147 HydrophobicContact CG-CG2 4.39Å; L127-T147 CarbonylContact O-C 3.55Å; L127-T147 VanDerWaalsContact O-CA 3.29Å; L127-T147 WeakPolarHBondContact O-CA 3.29Å; L127-R148 PolarHBondContact O-N 2.92Å
128	V	97.8	Very high	95.8	Very high	20 Å²	20	49.5 Å²	49.5	12%	0.121	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.2	162.7	178.9	0	0	0	0	106.8	L104 A105 L106 D107 T130 R148 V150 F159 F164	L104-V128 HydrophobicContact CD1-CG2 4.14Å; A105-V128 PolarHBondContact O-N 3.42Å; L106-V128 CarbonylContact C-O 3.54Å; L106-V128 WeakPolarHBondContact CA-O 3.28Å; L106-V128 HydrophobicContact CD1-CB 4.17Å; L106-V128 HydrophobicContact CD1-CG1 4.04Å; L106-V128 WeakPolarHBondContact CD1-O 3.33Å; D107-V128 PolarHBondContact N-O 3.25Å; V128-T130 HydrophobicContact CG1-CG2 4.44Å; V128-R148 CarbonylContact C-O 3.42Å; V128-R148 WeakPolarHBondContact CA-O 3.4Å; V128-V150 HydrophobicContact CG1-CG2 4.22Å; V128-F159 HydrophobicContact CG1-CE1 3.94Å; V128-F159 HydrophobicContact CG1-CZ 3.67Å; V128-F164 HydrophobicContact CB-CE1 3.94Å; V128-F164 HydrophobicContact CB-CZ 4.3Å; V128-F164 HydrophobicContact CG2-CE1 3.83Å; V128-F164 HydrophobicContact CG2-CZ 4.28Å
129	L	97.1	Very high	95.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.8	178.7	178.3	67.2	0	0	0	109	D107 L137 T147 R148 S149 V150	D107-L129 HydrophobicContact CB-CD1 3.77Å; D107-L129 WeakPolarHBondContact OD2-CD1 3.31Å; L129-L137 HydrophobicContact CB-CD2 4.46Å; L129-L137 HydrophobicContact CD2-CD2 3.56Å; L129-L137 HydrophobicContact CG-CD2 3.53Å; L129-T147 HydrophobicContact CB-CG2 3.79Å; L129-R148 PolarHBondContact N-O 3.28Å; L129-S149 CarbonylContact O-C 3.59Å; L129-S149 VanDerWaalsContact O-CA 3.3Å; L129-S149 WeakPolarHBondContact O-CA 3.48Å; L129-V150 PolarHBondContact O-N 3.47Å
130	T	97	Very high	95	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.7	175.9	52.7	0	0	0	0	111.8	L106 D107 M108 G109 G110 V128 V150 A152 F159	L106-T130 HydrophobicContact CD1-CG2 3.83Å; D107-T130 PolarHBondContact O-N 2.92Å; D107-T130 PolarHBondContact O-OG1 3.43Å; D107-T130 VanDerWaalsContact O-OG1 3.13Å; M108-T130 WeakPolarHBondContact CA-OG1 3.37Å; G109-T130 CarbonylContact C-O 3.56Å; G109-T130 VanDerWaalsContact CA-O 3.26Å; G109-T130 WeakPolarHBondContact CA-O 3.45Å; G109-T130 PolarHBondContact N-O 2.98Å; G110-T130 PolarHBondContact N-O 3.19Å; G110-T130 VanDerWaalsContact N-O 3.11Å; V128-T130 HydrophobicContact CG1-CG2 4.44Å; T130-V150 VanDerWaalsContact CA-O 3.3Å; T130-V150 WeakPolarHBondContact CA-O 3.39Å; T130-V150 HydrophobicContact CG2-CB 4.06Å; T130-A152 HydrophobicContact CG2-CB 4.22Å; T130-F159 HydrophobicContact CG2-CE2 3.79Å; T130-F159 HydrophobicContact CG2-CZ 3.59Å
131	D	96.4	Very high	94.6	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.011	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.7	169.5	-161	-75.9	0	0	0	109.2	K68 G111 S133 L137 V151 A152	K68-D131 WeakPolarHBondContact CD-OD1 3.44Å; K68-D131 IonicContact NZ-OD1 2.67Å; K68-D131 PolarHBondContact NZ-OD1 3.21Å; K68-D131 IonicContact NZ-OD2 3.96Å; K68-D131 PolarHBondContact NZ-OD2 3.16Å; G111-D131 WeakPolarHBondContact CA-OD2 3.16Å; G111-D131 PolarHBondContact N-OD2 3.32Å; G111-D131 VanDerWaalsContact N-OD2 3.13Å; D131-S133 PolarHBondContact O-N 3.18Å; D131-S133 WeakPolarHBondContact OD1-CB 3.35Å; D131-S133 PolarHBondContact OD1-N 3.29Å; D131-L137 HydrophobicContact CB-CD1 4.41Å; D131-L137 HydrophobicContact CB-CD2 3.77Å; D131-L137 HydrophobicContact CB-CG 3.93Å; D131-V151 WeakPolarHBondContact O-CA 3.43Å; D131-A152 CarbonylContact C-O 3.56Å; D131-A152 PolarHBondContact O-N 2.98Å
132	V	95.1	Very high	94	Very high	10 Å²	10	59.3 Å²	59.3	6%	0.061	27%	0.274	C	S	.	.	S	Bend	trans	-69.2	-24.2	174.4	74	0	0	0	0	112.4	R65 K68 A152	R65-V132 HydrophobicContact CB-CG1 4.42Å; R65-V132 HydrophobicContact CB-CG2 4.4Å; R65-V132 HydrophobicContact CG-CG1 4.42Å; R65-V132 HydrophobicContact CG-CG2 4.15Å; K68-V132 HydrophobicContact CD-CG1 3.88Å; V132-A152 WeakPolarHBondContact CA-O 3.33Å; V132-A152 PolarHBondContact N-O 3.13Å
133	S	95.2	Very high	93.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.251	C	S	.	.			trans	-92.1	105.4	177.9	173.7	0	0	0	0	111.1	N69 D131 Q135 A136 L137	N69-S133 WeakPolarHBondContact OD1-CB 3.3Å; N69-S133 PolarHBondContact OD1-OG 3.45Å; D131-S133 PolarHBondContact O-N 3.18Å; D131-S133 WeakPolarHBondContact OD1-CB 3.35Å; D131-S133 PolarHBondContact OD1-N 3.29Å; S133-Q135 PolarHBondContact O-N 3.39Å; S133-Q135 PolarHBondContact OG-N 3.48Å; S133-A136 PolarHBondContact O-N 3.28Å; S133-A136 WeakPolarHBondContact OG-CB 3.18Å; S133-A136 PolarHBondContact OG-N 3.15Å; S133-L137 PolarHBondContact O-N 3.01Å
134	Q	94.2	Very high	93.6	Very high	117 Å²	117	59.3 Å²	59.3	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-30.8	171.2	-169.2	-177.9	23.7	0	0	112	K138 V151	Q134-K138 WeakPolarHBondContact O-CG 3.47Å; Q134-K138 PolarHBondContact O-N 2.93Å; Q134-V151 HydrophobicContact CB-CG2 3.77Å; Q134-V151 HydrophobicContact CG-CG2 3.77Å
135	Q	93.6	Very high	93.5	Very high	79 Å²	79	59.5 Å²	59.5	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-69.6	-41.3	179.4	-66.6	179.6	-5.3	0	0	111.3	N69 A72 V73 S133 K138 L139	N69-Q135 PolarHBondContact O-OE1 2.92Å; A72-Q135 HydrophobicContact CB-CB 3.78Å; V73-Q135 VanDerWaalsContact CG1-OE1 3.27Å; S133-Q135 PolarHBondContact O-N 3.39Å; S133-Q135 PolarHBondContact OG-N 3.48Å; Q135-K138 PolarHBondContact O-N 3.45Å; Q135-L139 WeakPolarHBondContact O-CG 3.39Å
136	A	93	Very high	93.4	Very high	10 Å²	10	58.7 Å²	58.7	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-43.1	175.9	0	0	0	0	0	111.7	A72 G111 S133 K138 L139	A72-A136 HydrophobicContact CB-CB 4.49Å; G111-A136 CarbonylContact O-C 3.57Å; S133-A136 PolarHBondContact O-N 3.28Å; S133-A136 WeakPolarHBondContact OG-CB 3.18Å; S133-A136 PolarHBondContact OG-N 3.15Å; A136-K138 PolarHBondContact O-N 3.22Å; A136-L139 WeakPolarHBondContact O-CB 3.44Å; A136-L139 PolarHBondContact O-N 2.86Å
137	L	94.4	Very high	93.3	Very high	13 Å²	13	54.7 Å²	54.7	7%	0.068	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-31	177.9	-67.9	176.6	0	0	0	113.5	L129 D131 S133 L139 G140 V151	L129-L137 HydrophobicContact CB-CD2 4.46Å; L129-L137 HydrophobicContact CD2-CD2 3.56Å; L129-L137 HydrophobicContact CG-CD2 3.53Å; D131-L137 HydrophobicContact CB-CD1 4.41Å; D131-L137 HydrophobicContact CB-CD2 3.77Å; D131-L137 HydrophobicContact CB-CG 3.93Å; S133-L137 PolarHBondContact O-N 3.01Å; L137-L139 VanDerWaalsContact C-N 3.26Å; L137-L139 PolarHBondContact O-N 3.47Å; L137-G140 PolarHBondContact O-N 2.78Å; L137-V151 HydrophobicContact CD1-CB 4.47Å; L137-V151 HydrophobicContact CD1-CG2 3.81Å
138	K	92.6	Very high	93.2	Very high	159 Å²	159	64.2 Å²	64.2	69%	0.691	31%	0.307	S	S	*	.	H	α-helix	trans	-71.2	-22	176.4	-73.8	176.3	-178.3	-178.1	0	112.9	Q134 Q135 A136 G140	Q134-K138 WeakPolarHBondContact O-CG 3.47Å; Q134-K138 PolarHBondContact O-N 2.93Å; Q135-K138 PolarHBondContact O-N 3.45Å; A136-K138 PolarHBondContact O-N 3.22Å; K138-G140 VanDerWaalsContact C-N 3.25Å
139	L	90.6	Very high	93.2	Very high	78 Å²	78	66.3 Å²	66.3	41%	0.408	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	17.2	178.2	-58.9	170	0	0	0	112.2	A72 K112 Q135 A136 L137 R141	A72-L139 HydrophobicContact CB-CD1 3.71Å; A72-L139 WeakPolarHBondContact O-CD1 3.1Å; K112-L139 HydrophobicContact CD-CB 4.37Å; K112-L139 HydrophobicContact CG-CB 4.11Å; Q135-L139 WeakPolarHBondContact O-CG 3.39Å; A136-L139 WeakPolarHBondContact O-CB 3.44Å; A136-L139 PolarHBondContact O-N 2.86Å; L137-L139 VanDerWaalsContact C-N 3.26Å; L137-L139 PolarHBondContact O-N 3.47Å; L139-R141 PolarHBondContact O-N 3.26Å
140	G	84	Confident	93.1	Very high	39 Å²	39	68.7 Å²	68.7	40%	0.402	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-47	129.9	-179.5	0	0	0	0	0	111.9	L137 K138	L137-G140 PolarHBondContact O-N 2.78Å; K138-G140 VanDerWaalsContact C-N 3.25Å
141	R	85.9	Confident	93.1	Very high	58 Å²	58	72.5 Å²	72.5	22%	0.219	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-67.9	155.7	177.6	-71.8	170.1	171	-110.7	-3.1	110.5	D81 E85 K112 E117 L139 S143	D81-R141 IonicContact OD2-CZ 2.75Å; D81-R141 IonicContact OD2-NH2 2.9Å; D81-R141 PolarHBondContact OD2-NH2 3.23Å; E85-R141 IonicContact OE1-CZ 2.7Å; E85-R141 IonicContact OE1-NH1 2.85Å; E85-R141 PolarHBondContact OE1-NH1 3.29Å; E85-R141 IonicContact OE1-NH2 2.81Å; E85-R141 PolarHBondContact OE1-NH2 3.42Å; K112-R141 HydrophobicContact CB-CG 4.32Å; K112-R141 WeakPolarHBondContact O-CB 3.48Å; K112-R141 WeakPolarHBondContact O-CG 3.45Å; K112-R141 PolarHBondContact O-N 3.26Å; E117-R141 WeakPolarHBondContact OE2-CD 3.36Å; E117-R141 IonicContact OE2-CZ 3.71Å; E117-R141 IonicContact OE2-NE 3.13Å; E117-R141 IonicContact OE2-NH1 2.78Å; E117-R141 PolarHBondContact OE2-NH1 3.03Å; L139-R141 PolarHBondContact O-N 3.26Å; R141-S143 PolarHBondContact O-N 3.26Å
142	R	84.5	Confident	93	Very high	243 Å²	243	72.9 Å²	72.9	92%	0.917	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-69.8	129.2	176.5	-70.3	-176	176.1	178.4	-0.4	108.8
143	S	90.4	Very high	92.9	Very high	40 Å²	40	74 Å²	74	28%	0.28	37%	0.369	S	S	.	.			trans	-140.1	150.9	173.4	175.2	0	0	0	0	108.6	A116 R141 I145	A116-S143 WeakPolarHBondContact O-CB 3.46Å; A116-S143 PolarHBondContact O-OG 2.96Å; R141-S143 PolarHBondContact O-N 3.26Å; S143-I145 PolarHBondContact O-N 3.48Å; S143-I145 PolarHBondContact OG-N 3.15Å
144	E	92.5	Very high	92.8	Very high	149 Å²	149	74.1 Å²	74.1	70%	0.696	37%	0.37	S	S	*	.	S	Bend	trans	-69.7	-17.3	172.6	-59.3	-175.2	165.9	0	0	112.3	K121 P146	K121-E144 HydrophobicContact CB-CB 4.49Å; E144-P146 WeakPolarHBondContact O-CD 3.34Å
145	I	96.2	Very high	92.7	Very high	5 Å²	5	69.7 Å²	69.7	3%	0.026	35%	0.349	C	S	.	.	S	Bend	trans	-81	123.3	-175.7	-55.5	168	0	0	0	109.6	L119 V124 L127 S143 T147	L119-I145 HydrophobicContact CB-CD1 3.45Å; L119-I145 VanDerWaalsContact CB-CD1 3.45Å; L119-I145 HydrophobicContact CD1-CD1 4.43Å; V124-I145 HydrophobicContact CB-CD1 3.88Å; V124-I145 HydrophobicContact CG1-CD1 4.21Å; V124-I145 HydrophobicContact CG1-CG2 4.21Å; V124-I145 WeakPolarHBondContact O-CG1 3.42Å; V124-I145 WeakPolarHBondContact O-CG2 3.42Å; L127-I145 HydrophobicContact CB-CG2 3.79Å; S143-I145 PolarHBondContact O-N 3.48Å; S143-I145 PolarHBondContact OG-N 3.15Å; I145-T147 PolarHBondContact O-N 3.43Å; I145-T147 PolarHBondContact O-OG1 3.28Å
146	P	95.9	Very high	92.6	Very high	67 Å²	67	71.2 Å²	71.2	44%	0.435	36%	0.355	S	S	.	.			trans	-56.2	110.4	171	-23.1	33	0	0	0	110.9	Q125 L127 E144	Q125-P146 WeakPolarHBondContact O-CD 3.48Å; L127-P146 PolarHBondContact N-O 2.98Å; E144-P146 WeakPolarHBondContact O-CD 3.34Å
147	T	96	Very high	92.7	Very high	54 Å²	54	71.1 Å²	71.1	33%	0.331	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.6	-172.9	-59.8	0	0	0	0	111.2	L127 L129 I145	L127-T147 HydrophobicContact CB-CG2 4.28Å; L127-T147 HydrophobicContact CD2-CG2 4.19Å; L127-T147 HydrophobicContact CG-CG2 4.39Å; L127-T147 CarbonylContact O-C 3.55Å; L127-T147 VanDerWaalsContact O-CA 3.29Å; L127-T147 WeakPolarHBondContact O-CA 3.29Å; L129-T147 HydrophobicContact CB-CG2 3.79Å; I145-T147 PolarHBondContact O-N 3.43Å; I145-T147 PolarHBondContact O-OG1 3.28Å
148	R	95.6	Very high	92.7	Very high	203 Å²	203	74.4 Å²	74.4	77%	0.766	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	120	171.2	-72.5	-171.6	174.4	-173.1	-1.6	110.3	L127 V128 L129	L127-R148 PolarHBondContact O-N 2.92Å; V128-R148 CarbonylContact C-O 3.42Å; V128-R148 WeakPolarHBondContact CA-O 3.4Å; L129-R148 PolarHBondContact N-O 3.28Å
149	S	96.3	Very high	92.9	Very high	65 Å²	65	68.6 Å²	68.6	46%	0.455	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.4	179.4	-54	0	0	0	0	111.8	L129	L129-S149 CarbonylContact O-C 3.59Å; L129-S149 VanDerWaalsContact O-CA 3.3Å; L129-S149 WeakPolarHBondContact O-CA 3.48Å
150	V	95.9	Very high	93.3	Very high	50 Å²	50	75.1 Å²	75.1	30%	0.303	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.9	177.5	177.5	0	0	0	0	108.5	V128 L129 T130 A152 P158	V128-V150 HydrophobicContact CG1-CG2 4.22Å; L129-V150 PolarHBondContact O-N 3.47Å; T130-V150 VanDerWaalsContact CA-O 3.3Å; T130-V150 WeakPolarHBondContact CA-O 3.39Å; T130-V150 HydrophobicContact CG2-CB 4.06Å; V150-A152 PolarHBondContact O-N 2.89Å; V150-P158 HydrophobicContact CG1-CG 4.29Å
151	V	96.3	Very high	93.9	Very high	82 Å²	82	79.4 Å²	79.4	50%	0.497	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.2	173	-179	0	0	0	0	108	D131 Q134 L137	D131-V151 WeakPolarHBondContact O-CA 3.43Å; Q134-V151 HydrophobicContact CB-CG2 3.77Å; Q134-V151 HydrophobicContact CG-CG2 3.77Å; L137-V151 HydrophobicContact CD1-CB 4.47Å; L137-V151 HydrophobicContact CD1-CG2 3.81Å
152	A	95.1	Very high	94.5	Very high	10 Å²	10	79.5 Å²	79.5	8%	0.083	38%	0.383	C	S	.	.			trans	-151.2	149.4	-179.2	0	0	0	0	0	110.3	T130 D131 V132 V150 P158	T130-A152 HydrophobicContact CG2-CB 4.22Å; D131-A152 CarbonylContact C-O 3.56Å; D131-A152 PolarHBondContact O-N 2.98Å; V132-A152 WeakPolarHBondContact CA-O 3.33Å; V132-A152 PolarHBondContact N-O 3.13Å; V150-A152 PolarHBondContact O-N 2.89Å; A152-P158 HydrophobicContact CB-CG 3.91Å
153	D	93.4	Very high	95.1	Very high	34 Å²	34	69.6 Å²	69.6	18%	0.182	35%	0.351	C	S	.	.			trans	-79.9	132.7	166.8	-158.2	-39.7	0	0	0	108.4	R61 E155 F156	R61-D153 IonicContact CZ-OD1 3.8Å; R61-D153 IonicContact NE-OD1 2.94Å; R61-D153 IonicContact NH2-OD1 2.64Å; R61-D153 PolarHBondContact NH2-OD1 2.82Å; R61-D153 IonicContact NH2-OD2 2.76Å; D153-E155 PolarHBondContact O-N 3.13Å; D153-E155 VanDerWaalsContact O-N 3.16Å; D153-E155 PolarHBondContact OD1-N 3.21Å; D153-F156 HydrophobicContact CB-CD2 4.22Å; D153-F156 CarbonylContact O-C 3.56Å; D153-F156 PolarHBondContact O-N 2.84Å
154	E	92.1	Very high	95.5	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.9	178.5	-57.4	94.7	154.1	0	0	111.9	R61 K68 M108 G109 F156 S172 I176	R61-E154 IonicContact CZ-OE2 2.9Å; R61-E154 IonicContact NH2-OE2 3.13Å; R61-E154 PolarHBondContact NH2-OE2 3.33Å; K68-E154 IonicContact NZ-OE1 3.05Å; K68-E154 PolarHBondContact NZ-OE1 2.98Å; K68-E154 VanDerWaalsContact NZ-OE1 3.13Å; M108-E154 HydrophobicContact CG-CB 4.08Å; M108-E154 HydrophobicContact CG-CG 3.83Å; M108-E154 HydrophobicContact SD-CB 4.11Å; G109-E154 VanDerWaalsContact CA-OE1 3.32Å; G109-E154 WeakPolarHBondContact CA-OE1 3.39Å; E154-F156 VanDerWaalsContact C-N 3.28Å; E154-F156 PolarHBondContact O-N 2.91Å; E154-S172 PolarHBondContact OE1-OG 2.83Å; E154-I176 HydrophobicContact CB-CD1 3.75Å
155	E	92.3	Very high	95.8	Very high	25 Å²	25	63.1 Å²	63.1	12%	0.117	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.5	173.6	-68.8	-173.6	174.2	0	0	114.3	D153 I176 N177 V182	D153-E155 PolarHBondContact O-N 3.13Å; D153-E155 VanDerWaalsContact O-N 3.16Å; D153-E155 PolarHBondContact OD1-N 3.21Å; E155-I176 HydrophobicContact CG-CD1 3.94Å; E155-I176 HydrophobicContact CG-CG2 3.98Å; E155-N177 WeakPolarHBondContact OE1-CB 3.31Å; E155-N177 PolarHBondContact OE1-N 3.11Å; E155-V182 HydrophobicContact CB-CG2 4.35Å; E155-V182 HydrophobicContact CG-CG2 4.02Å
156	F	91.7	Very high	95.9	Very high	110 Å²	110	62.9 Å²	62.9	48%	0.482	32%	0.315	S	S	.	.	S	Bend	trans	-141.4	78	-173	-56.6	-87.9	0	0	0	110.9	D153 E154 P158 R181	D153-F156 HydrophobicContact CB-CD2 4.22Å; D153-F156 CarbonylContact O-C 3.56Å; D153-F156 PolarHBondContact O-N 2.84Å; E154-F156 VanDerWaalsContact C-N 3.28Å; E154-F156 PolarHBondContact O-N 2.91Å; F156-P158 WeakPolarHBondContact O-CD 3.26Å; F156-R181 VanDerWaalsContact CE1-NH2 3.32Å
157	L	94.3	Very high	96	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.042	30%	0.295	C	S	.	.			trans	-69.7	119	-177.5	-66	-177.8	0	0	0	112.2	L106 M108 F159 E185 I186 R188 V189	L106-L157 HydrophobicContact CD2-CD1 4.25Å; M108-L157 HydrophobicContact CG-CD2 4.16Å; M108-L157 HydrophobicContact SD-CD1 4.15Å; M108-L157 HydrophobicContact SD-CD2 3.94Å; M108-L157 HydrophobicContact SD-CG 4.45Å; L157-F159 HydrophobicContact CB-CD2 4.12Å; L157-F159 HydrophobicContact CD2-CE2 4.5Å; L157-F159 PolarHBondContact O-N 3.36Å; L157-E185 HydrophobicContact CD1-CB 4.48Å; L157-I186 HydrophobicContact CD1-CG1 4.43Å; L157-R188 PolarHBondContact O-NH2 3.47Å; L157-V189 HydrophobicContact CB-CG1 4.45Å; L157-V189 HydrophobicContact CD1-CG1 4.39Å; L157-V189 HydrophobicContact CD1-CG2 4.12Å
158	P	95.8	Very high	96.1	Very high	82 Å²	82	57.2 Å²	57.2	53%	0.532	28%	0.279	S	S	.	.			trans	-82.7	39.9	-175	36.5	-38.4	0	0	0	112.6	V150 A152 F156	V150-P158 HydrophobicContact CG1-CG 4.29Å; A152-P158 HydrophobicContact CB-CG 3.91Å; F156-P158 WeakPolarHBondContact O-CD 3.26Å
159	F	97.3	Very high	96.2	Very high	38 Å²	38	47.6 Å²	47.6	17%	0.167	24%	0.243	C	C	.	.			trans	-120.2	149.9	-175.5	-53.3	-64.1	0	0	0	112	L106 V128 T130 L157 F164 R188 V189	L106-F159 HydrophobicContact CD1-CD2 4.44Å; L106-F159 HydrophobicContact CD1-CE2 3.59Å; L106-F159 HydrophobicContact CD1-CZ 3.97Å; L106-F159 HydrophobicContact CD2-CD2 4.06Å; L106-F159 HydrophobicContact CD2-CE2 3.92Å; L106-F159 HydrophobicContact CG-CE2 4.44Å; V128-F159 HydrophobicContact CG1-CE1 3.94Å; V128-F159 HydrophobicContact CG1-CZ 3.67Å; T130-F159 HydrophobicContact CG2-CE2 3.79Å; T130-F159 HydrophobicContact CG2-CZ 3.59Å; L157-F159 HydrophobicContact CB-CD2 4.12Å; L157-F159 HydrophobicContact CD2-CE2 4.5Å; L157-F159 PolarHBondContact O-N 3.36Å; F159-F164 HydrophobicContact CB-CE2 3.75Å; F159-F164 HydrophobicContact CB-CZ 4.46Å; F159-F164 HydrophobicContact CD1-CE2 4.04Å; F159-F164 AromaticContact CD1-CZ 3.9Å; F159-F164 HydrophobicContact CD1-CZ 3.9Å; F159-F164 AromaticContact CD2-CE2 3.73Å; F159-F164 HydrophobicContact CD2-CE2 3.73Å; F159-F164 HydrophobicContact CD2-CZ 4.06Å; F159-F164 HydrophobicContact CE1-CZ 4.12Å; F159-F164 HydrophobicContact CE2-CE2 4.34Å; F159-F164 HydrophobicContact CE2-CZ 4.28Å; F159-F164 AromaticContact CG-CE2 3.56Å; F159-F164 HydrophobicContact CG-CE2 3.56Å; F159-F164 AromaticContact CG-CZ 3.88Å; F159-F164 HydrophobicContact CG-CZ 3.88Å; F159-F164 HydrophobicContact CZ-CZ 4.31Å; F159-R188 PolarHBondContact O-NH1 2.73Å; F159-R188 PolarHBondContact O-NH2 3.36Å; F159-R188 VanDerWaalsContact O-NH2 3.07Å; F159-V189 HydrophobicContact CB-CG1 4Å
160	R	97.3	Very high	96.2	Very high	214 Å²	214	45 Å²	45	81%	0.808	23%	0.225	S	C	*	.			trans	-68	155	173.5	-65.8	-179.2	-179.2	159.2	-0.1	110	S163	R160-S163 WeakPolarHBondContact O-CB 3.38Å; R160-S163 PolarHBondContact O-OG 2.96Å
161	E	97.5	Very high	96.1	Very high	129 Å²	129	43 Å²	43	60%	0.603	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	154.6	171	63.7	179.4	178.2	0	0	111.6	S163 R188	E161-S163 VanDerWaalsContact C-N 3.26Å; E161-S163 PolarHBondContact O-N 3.43Å; E161-R188 CarbonylContact C-O 3.58Å; E161-R188 WeakPolarHBondContact CA-O 3.39Å; E161-R188 HydrophobicContact CB-CG 3.88Å; E161-R188 WeakPolarHBondContact CB-O 3.43Å
162	N	97.7	Very high	96	Very high	60 Å²	60	39.1 Å²	39.1	32%	0.321	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	40.5	175	-52.7	-50.1	0	0	0	114.3	R188 V189 L190 K191 K322	N162-R188 PolarHBondContact N-O 3.18Å; N162-V189 CarbonylContact C-O 3.59Å; N162-V189 PolarHBondContact N-O 3.3Å; N162-L190 WeakPolarHBondContact CA-O 3.43Å; N162-L190 PolarHBondContact OD1-O 3.26Å; N162-K191 VanDerWaalsContact C-CG 3.41Å; N162-K191 HydrophobicContact CB-CG 4.19Å; N162-K191 VanDerWaalsContact O-CE 3.3Å; N162-K191 WeakPolarHBondContact O-CE 3.47Å; N162-K191 WeakPolarHBondContact O-CG 3.41Å; N162-K322 PolarHBondContact OD1-NZ 3.45Å
163	S	98.1	Very high	96.1	Very high	35 Å²	35	38.8 Å²	38.8	25%	0.245	19%	0.185	C	C	.	.			trans	-94.1	-39.2	-178.9	-64.1	0	0	0	0	112.9	R160 E161 V189	R160-S163 WeakPolarHBondContact O-CB 3.38Å; R160-S163 PolarHBondContact O-OG 2.96Å; E161-S163 VanDerWaalsContact C-N 3.26Å; E161-S163 PolarHBondContact O-N 3.43Å; S163-V189 PolarHBondContact N-O 2.84Å
164	F	98.6	Very high	96.2	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.022	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.9	-168.9	-61.7	-82.2	0	0	0	112.6	L104 L106 V128 F159 V167 V189 L190 K191	L104-F164 HydrophobicContact CD1-CE1 4.48Å; L104-F164 HydrophobicContact CD2-CD1 3.94Å; L104-F164 HydrophobicContact CD2-CE1 3.94Å; L104-F164 HydrophobicContact CG-CD1 3.74Å; L104-F164 HydrophobicContact CG-CE1 3.93Å; L106-F164 HydrophobicContact CB-CD1 3.66Å; L106-F164 HydrophobicContact CB-CD2 4.19Å; L106-F164 HydrophobicContact CB-CE1 3.75Å; L106-F164 HydrophobicContact CB-CE2 4.25Å; L106-F164 HydrophobicContact CB-CG 3.9Å; L106-F164 HydrophobicContact CB-CZ 4.05Å; L106-F164 HydrophobicContact CD1-CZ 4.3Å; L106-F164 HydrophobicContact CD2-CD2 4.33Å; L106-F164 HydrophobicContact CD2-CE2 4.13Å; L106-F164 HydrophobicContact CD2-CZ 4.45Å; V128-F164 HydrophobicContact CB-CE1 3.94Å; V128-F164 HydrophobicContact CB-CZ 4.3Å; V128-F164 HydrophobicContact CG2-CE1 3.83Å; V128-F164 HydrophobicContact CG2-CZ 4.28Å; F159-F164 HydrophobicContact CB-CE2 3.75Å; F159-F164 HydrophobicContact CB-CZ 4.46Å; F159-F164 HydrophobicContact CD1-CE2 4.04Å; F159-F164 AromaticContact CD1-CZ 3.9Å; F159-F164 HydrophobicContact CD1-CZ 3.9Å; F159-F164 AromaticContact CD2-CE2 3.73Å; F159-F164 HydrophobicContact CD2-CE2 3.73Å; F159-F164 HydrophobicContact CD2-CZ 4.06Å; F159-F164 HydrophobicContact CE1-CZ 4.12Å; F159-F164 HydrophobicContact CE2-CE2 4.34Å; F159-F164 HydrophobicContact CE2-CZ 4.28Å; F159-F164 AromaticContact CG-CE2 3.56Å; F159-F164 HydrophobicContact CG-CE2 3.56Å; F159-F164 AromaticContact CG-CZ 3.88Å; F159-F164 HydrophobicContact CG-CZ 3.88Å; F159-F164 HydrophobicContact CZ-CZ 4.31Å; F164-V167 HydrophobicContact CB-CG2 4.2Å; F164-V189 HydrophobicContact CD2-CB 4.04Å; F164-V189 HydrophobicContact CD2-CG2 4.14Å; F164-V189 HydrophobicContact CE2-CB 4.46Å; F164-V189 PolarHBondContact N-O 2.86Å; F164-L190 CarbonylContact O-C 3.56Å; F164-L190 WeakPolarHBondContact O-CA 3.31Å; F164-K191 PolarHBondContact O-N 2.72Å
165	H	98.3	Very high	96.3	Very high	49 Å²	49	37.4 Å²	37.4	23%	0.227	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-26.4	173.9	-52.1	82	0	0	0	111.4	F102 L104 K191 G194 V195	F102-H165 HydrophobicContact CB-CB 4.47Å; F102-H165 HydrophobicContact CD1-CB 3.97Å; L104-H165 PolarHBondContact O-N 2.79Å; H165-K191 PolarHBondContact CE1-NZ 3.21Å; H165-K191 VanDerWaalsContact CE1-NZ 3.3Å; H165-K191 WeakPolarHBondContact NE2-CD 3.49Å; H165-K191 PolarHBondContact NE2-NZ 3.26Å; H165-G194 WeakPolarHBondContact O-CA 3.43Å; H165-V195 PolarHBondContact O-N 3.4Å
166	L	98.6	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.9	178	171.4	64.2	0	0	0	108.5	V95 F102 A105 L106 V124 V168 V195 I197	V95-L166 HydrophobicContact CG1-CD2 3.97Å; V95-L166 HydrophobicContact CG2-CD2 4.19Å; F102-L166 HydrophobicContact CB-CB 4.04Å; F102-L166 HydrophobicContact CB-CD2 4.44Å; F102-L166 HydrophobicContact CD1-CB 3.6Å; F102-L166 HydrophobicContact CD2-CB 4.33Å; F102-L166 HydrophobicContact CD2-CD2 3.86Å; F102-L166 HydrophobicContact CE1-CB 4.03Å; F102-L166 HydrophobicContact CE2-CD2 4.19Å; F102-L166 HydrophobicContact CG-CB 3.74Å; F102-L166 HydrophobicContact CG-CD2 4.06Å; F102-L166 HydrophobicContact CG-CG 4.48Å; F102-L166 HydrophobicContact CZ-CD1 4.49Å; A105-L166 CarbonylContact C-O 3.53Å; A105-L166 WeakPolarHBondContact CA-O 3.3Å; A105-L166 HydrophobicContact CB-CB 3.9Å; A105-L166 HydrophobicContact CB-CD2 3.94Å; A105-L166 HydrophobicContact CB-CG 4.05Å; L106-L166 PolarHBondContact N-O 2.85Å; V124-L166 HydrophobicContact CG2-CD2 4.01Å; L166-V168 HydrophobicContact CD1-CG1 3.71Å; L166-V168 HydrophobicContact CD2-CG1 3.92Å; L166-V168 HydrophobicContact CG-CG1 3.78Å; L166-V195 CarbonylContact C-O 3.54Å; L166-V195 WeakPolarHBondContact CA-O 3.27Å; L166-V195 HydrophobicContact CD1-CG1 3.54Å; L166-I197 HydrophobicContact CD1-CD1 4.17Å; L166-I197 HydrophobicContact CD1-CG1 4.24Å
167	V	98.5	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.5	163.6	178.1	0	0	0	0	106.9	L106 F164 I186 V189 L190 V195 F196 I197	L106-V167 HydrophobicContact CB-CG1 4.44Å; L106-V167 HydrophobicContact CB-CG2 4.15Å; L106-V167 HydrophobicContact CD2-CG1 4.24Å; L106-V167 HydrophobicContact CD2-CG2 4.28Å; L106-V167 HydrophobicContact CG-CG1 4.43Å; L106-V167 CarbonylContact O-C 3.56Å; L106-V167 WeakPolarHBondContact O-CA 3.35Å; F164-V167 HydrophobicContact CB-CG2 4.2Å; V167-I186 HydrophobicContact CB-CG2 3.89Å; V167-I186 HydrophobicContact CG1-CG1 4.42Å; V167-I186 HydrophobicContact CG1-CG2 3.81Å; V167-I186 HydrophobicContact CG2-CG2 4.13Å; V167-V189 HydrophobicContact CG2-CG2 4.14Å; V167-L190 HydrophobicContact CB-CD2 4.24Å; V167-L190 HydrophobicContact CB-CG 4.46Å; V167-L190 HydrophobicContact CG2-CD1 4.46Å; V167-L190 HydrophobicContact CG2-CD2 3.62Å; V167-L190 HydrophobicContact CG2-CG 3.75Å; V167-V195 PolarHBondContact N-O 3.44Å; V167-F196 HydrophobicContact CB-CD2 4.24Å; V167-F196 HydrophobicContact CG1-CD2 4.11Å; V167-F196 CarbonylContact O-C 3.51Å; V167-F196 VanDerWaalsContact O-CA 3.31Å; V167-F196 WeakPolarHBondContact O-CA 3.1Å; V167-F196 WeakPolarHBondContact O-CD2 3.38Å; V167-I197 PolarHBondContact O-N 2.83Å
168	V	98.4	Very high	96.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	149.2	172.4	-61.7	0	0	0	0	110	V91 V95 L106 D107 M108 I115 L166 I197	V91-V168 HydrophobicContact CG1-CB 4.44Å; V91-V168 HydrophobicContact CG1-CG1 4.46Å; V95-V168 HydrophobicContact CG2-CG1 4.1Å; L106-V168 PolarHBondContact O-N 3Å; D107-V168 HydrophobicContact CB-CG2 3.86Å; M108-V168 PolarHBondContact N-O 3.44Å; I115-V168 HydrophobicContact CD1-CB 3.75Å; I115-V168 HydrophobicContact CD1-CG2 3.5Å; L166-V168 HydrophobicContact CD1-CG1 3.71Å; L166-V168 HydrophobicContact CD2-CG1 3.92Å; L166-V168 HydrophobicContact CG-CG1 3.78Å; V168-I197 CarbonylContact C-O 3.5Å; V168-I197 WeakPolarHBondContact CA-O 3.18Å; V168-I197 HydrophobicContact CG1-CB 4.37Å
169	S	97.9	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	117.3	170.6	162.2	0	0	0	0	108.8	M108 L173 I197 G198 A199	M108-S169 WeakPolarHBondContact O-CA 3.16Å; M108-S169 WeakPolarHBondContact O-CB 3.24Å; M108-S169 PolarHBondContact O-OG 3.11Å; S169-L173 WeakPolarHBondContact OG-CG 3.49Å; S169-I197 PolarHBondContact N-O 2.96Å; S169-G198 CarbonylContact O-C 3.21Å; S169-G198 WeakPolarHBondContact O-CA 3.32Å; S169-A199 PolarHBondContact O-N 3.14Å
170	S	95.8	Very high	96.2	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.07	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117	175.6	-179.3	0	0	0	0	110.8	V87 S172	V87-S170 WeakPolarHBondContact CG1-OG 3.47Å; S170-S172 VanDerWaalsContact C-N 3.35Å; S170-S172 PolarHBondContact O-N 3.12Å
171	F	93.8	Very high	96.1	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.035	13%	0.132	C	C	.	.	S	Bend	trans	58.1	37.2	167.4	-146.4	-112.1	0	0	0	115.3	L83 R84 H174 A199 A201 E275 I315	L83-F171 HydrophobicContact CD2-CE1 4.1Å; L83-F171 HydrophobicContact CD2-CE2 4.5Å; L83-F171 HydrophobicContact CD2-CZ 3.81Å; R84-F171 HydrophobicContact CG-CD1 4.3Å; F171-H174 VanDerWaalsContact C-CE1 3.47Å; F171-H174 AromaticContact CD1-CE1 3.78Å; F171-H174 AromaticContact CD2-CE1 3.85Å; F171-H174 AromaticContact CE1-CE1 3.95Å; F171-H174 AromaticContact CG-CE1 3.73Å; F171-H174 PolarHBondContact O-CE1 3.12Å; F171-A199 WeakPolarHBondContact CA-O 3.11Å; F171-A199 PolarHBondContact N-O 3.3Å; F171-A201 HydrophobicContact CE2-CB 3.9Å; F171-A201 HydrophobicContact CZ-CB 4.2Å; F171-E275 HydrophobicContact CE1-CG 3.9Å; F171-I315 HydrophobicContact CD2-CD1 4.18Å; F171-I315 HydrophobicContact CE2-CD1 3.62Å
172	S	94.4	Very high	96	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	10%	0.103	C	C	.	.			trans	-121.5	-35.4	177.5	-163.7	0	0	0	0	114.3	E154 S170 H174 W175	E154-S172 PolarHBondContact OE1-OG 2.83Å; S170-S172 VanDerWaalsContact C-N 3.35Å; S170-S172 PolarHBondContact O-N 3.12Å; S172-H174 PolarHBondContact O-N 3.02Å; S172-H174 VanDerWaalsContact O-N 3.12Å; S172-W175 PolarHBondContact O-N 2.87Å; S172-W175 VanDerWaalsContact O-N 3.12Å
173	L	95.8	Very high	96	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-62.2	-24.2	-169.7	-77.6	173.8	0	0	0	115.3	M108 S169 W175 I176 L179 V182 F196 M200	M108-L173 HydrophobicContact CE-CD1 4.45Å; M108-L173 HydrophobicContact CE-CD2 3.4Å; M108-L173 VanDerWaalsContact CE-CD2 3.4Å; M108-L173 HydrophobicContact CE-CG 4.05Å; S169-L173 WeakPolarHBondContact OG-CG 3.49Å; L173-W175 PolarHBondContact O-N 2.71Å; L173-W175 VanDerWaalsContact O-N 3.14Å; L173-I176 HydrophobicContact CD2-CG1 4.09Å; L173-I176 WeakPolarHBondContact O-CB 3.42Å; L173-I176 VanDerWaalsContact O-CG1 3.28Å; L173-I176 WeakPolarHBondContact O-CG1 3.3Å; L173-I176 PolarHBondContact O-N 3.12Å; L173-L179 HydrophobicContact CB-CD1 4.24Å; L173-L179 HydrophobicContact CD2-CD1 3.99Å; L173-V182 HydrophobicContact CD2-CG1 3.81Å; L173-F196 HydrophobicContact CD1-CE2 4.35Å; L173-F196 HydrophobicContact CD1-CZ 3.65Å; L173-M200 HydrophobicContact CB-CB 4.11Å; L173-M200 HydrophobicContact CB-SD 3.88Å
174	H	95.4	Very high	95.9	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.023	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-69.2	-5.8	177.6	55.6	-88.9	0	0	0	114.2	F59 F171 S172 M200 A201 Y231 E275	F59-H174 VanDerWaalsContact CE2-O 3.3Å; F59-H174 WeakPolarHBondContact CE2-O 3.27Å; F59-H174 VanDerWaalsContact CZ-O 3.31Å; F59-H174 WeakPolarHBondContact CZ-O 3.41Å; F171-H174 VanDerWaalsContact C-CE1 3.47Å; F171-H174 AromaticContact CD1-CE1 3.78Å; F171-H174 AromaticContact CD2-CE1 3.85Å; F171-H174 AromaticContact CE1-CE1 3.95Å; F171-H174 AromaticContact CG-CE1 3.73Å; F171-H174 PolarHBondContact O-CE1 3.12Å; S172-H174 PolarHBondContact O-N 3.02Å; S172-H174 VanDerWaalsContact O-N 3.12Å; H174-M200 HydrophobicContact CB-CB 4.21Å; H174-M200 HydrophobicContact CB-CE 4.49Å; H174-A201 HydrophobicContact CB-CB 4.27Å; H174-A201 PolarHBondContact ND1-N 2.85Å; H174-Y231 HydrophobicContact CB-CD1 4.05Å; H174-Y231 HydrophobicContact CB-CE1 4.43Å; H174-Y231 AromaticContact CD2-CE1 3.76Å; H174-E275 IonicContact CD2-OE2 3.56Å; H174-E275 IonicContact CE1-OE2 2.85Å; H174-E275 IonicContact NE2-OE2 3.99Å; H174-E275 PolarHBondContact NE2-OE2 3.06Å
175	W	94.9	Very high	95.8	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-101.8	12.3	175	-62.9	111.7	0	0	0	114.2	F59 R61 K64 S172 L173 S229 E275 C278	F59-W175 AromaticContact CD1-CE3 3.88Å; F59-W175 HydrophobicContact CD1-CE3 3.88Å; F59-W175 HydrophobicContact CD1-CZ3 4.07Å; F59-W175 HydrophobicContact CE1-CE3 4.04Å; F59-W175 HydrophobicContact CE1-CZ3 4.13Å; F59-W175 HydrophobicContact CG-CE3 4.3Å; R61-W175 WeakPolarHBondContact CD-O 3.05Å; R61-W175 PolarHBondContact NH1-O 3.37Å; K64-W175 HydrophobicContact CD-CD2 3.8Å; K64-W175 HydrophobicContact CD-CE3 4.27Å; K64-W175 HydrophobicContact CD-CG 3.91Å; K64-W175 HydrophobicContact CG-CB 4.36Å; K64-W175 HydrophobicContact CG-CD2 4.5Å; K64-W175 HydrophobicContact CG-CG 4.26Å; S172-W175 PolarHBondContact O-N 2.87Å; S172-W175 VanDerWaalsContact O-N 3.12Å; L173-W175 PolarHBondContact O-N 2.71Å; L173-W175 VanDerWaalsContact O-N 3.14Å; W175-S229 WeakPolarHBondContact CH2-OG 3.31Å; W175-S229 WeakPolarHBondContact CZ3-OG 3.49Å; W175-E275 VanDerWaalsContact CE2-OE2 3.28Å; W175-E275 VanDerWaalsContact CZ2-OE2 3.25Å; W175-E275 WeakPolarHBondContact CZ2-OE2 3.38Å; W175-E275 PolarHBondContact NE1-OE1 2.96Å; W175-E275 PolarHBondContact NE1-OE2 2.82Å; W175-C278 HydrophobicContact CZ3-CB 4.23Å; W175-C278 WeakPolarHBondContact CZ3-SG 3.29Å
176	I	94.2	Very high	95.8	Very high	11 Å²	11	17.8 Å²	17.8	6%	0.056	9%	0.092	C	C	.	.			trans	-92.8	135.2	-177.8	-59.8	-59.8	0	0	0	110.2	E154 E155 L173 L179 V182	E154-I176 HydrophobicContact CB-CD1 3.75Å; E155-I176 HydrophobicContact CG-CD1 3.94Å; E155-I176 HydrophobicContact CG-CG2 3.98Å; L173-I176 HydrophobicContact CD2-CG1 4.09Å; L173-I176 WeakPolarHBondContact O-CB 3.42Å; L173-I176 VanDerWaalsContact O-CG1 3.28Å; L173-I176 WeakPolarHBondContact O-CG1 3.3Å; L173-I176 PolarHBondContact O-N 3.12Å; I176-L179 HydrophobicContact CG2-CB 4.47Å; I176-V182 HydrophobicContact CG2-CB 4.1Å; I176-V182 HydrophobicContact CG2-CG2 3.47Å; I176-V182 VanDerWaalsContact CG2-CG2 3.47Å
177	N	94.4	Very high	95.7	Very high	17 Å²	17	19.2 Å²	19.2	9%	0.091	10%	0.099	C	C	.	.	S	Bend	trans	-78.1	-40.9	178.6	-80.2	-47.2	0	0	0	112.1	M56 V58 F59 E155	M56-N177 CarbonylContact O-C 3.6Å; M56-N177 WeakPolarHBondContact O-CA 3.43Å; M56-N177 WeakPolarHBondContact O-CB 3.5Å; M56-N177 VanDerWaalsContact O-O 3.06Å; M56-N177 PolarHBondContact O-OD1 2.94Å; V58-N177 PolarHBondContact N-OD1 3.17Å; F59-N177 PolarHBondContact N-OD1 2.99Å; F59-N177 PolarHBondContact O-ND2 2.99Å; F59-N177 VanDerWaalsContact O-ND2 3.14Å; E155-N177 WeakPolarHBondContact OE1-CB 3.31Å; E155-N177 PolarHBondContact OE1-N 3.11Å
178	D	93.4	Very high	95.7	Very high	42 Å²	42	22.6 Å²	22.6	23%	0.225	11%	0.111	C	C	.	.			trans	-117.6	73.3	178	-167.4	-14.7	0	0	0	111.3	P180 R181 V182	D178-P180 WeakPolarHBondContact OD1-CD 3.47Å; D178-R181 HydrophobicContact CB-CB 4Å; D178-R181 PolarHBondContact O-N 3.49Å; D178-R181 VanDerWaalsContact OD1-CB 3.24Å; D178-R181 WeakPolarHBondContact OD1-CB 3.38Å; D178-R181 PolarHBondContact OD1-N 3.18Å; D178-R181 VanDerWaalsContact OD2-CB 3.31Å; D178-R181 WeakPolarHBondContact OD2-CB 3.3Å; D178-V182 PolarHBondContact O-N 2.9Å
179	L	93.6	Very high	95.7	Very high	15 Å²	15	22.5 Å²	22.5	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-58.2	-42.8	179.1	-175	60.2	0	0	0	113.2	L173 I176 R181 V182 L183 M200 L240	L173-L179 HydrophobicContact CB-CD1 4.24Å; L173-L179 HydrophobicContact CD2-CD1 3.99Å; I176-L179 HydrophobicContact CG2-CB 4.47Å; L179-R181 VanDerWaalsContact C-N 3.31Å; L179-R181 PolarHBondContact O-N 3.18Å; L179-V182 PolarHBondContact O-N 2.86Å; L179-L183 HydrophobicContact CD1-CG 4.25Å; L179-L183 HydrophobicContact CG-CD1 4.26Å; L179-L183 HydrophobicContact CG-CG 4.42Å; L179-L183 WeakPolarHBondContact O-CG 3.49Å; L179-L183 PolarHBondContact O-N 2.85Å; L179-M200 HydrophobicContact CD2-CE 4.19Å; L179-M200 HydrophobicContact CD2-SD 4.31Å; L179-L240 HydrophobicContact CD2-CD1 3.91Å
180	P	93.6	Very high	95.7	Very high	46 Å²	46	22.5 Å²	22.5	30%	0.299	11%	0.111	S	C	.	.	H	α-helix	trans	-55.5	-42.5	174	-21.1	27.4	0	0	0	113.7	D178 S184 L240	D178-P180 WeakPolarHBondContact OD1-CD 3.47Å; P180-S184 PolarHBondContact O-N 3.08Å; P180-S184 PolarHBondContact O-OG 3.47Å; P180-L240 HydrophobicContact CB-CD2 4.4Å; P180-L240 HydrophobicContact CG-CD2 3.67Å
181	R	94.6	Very high	95.8	Very high	115 Å²	115	25.5 Å²	25.5	43%	0.434	12%	0.122	S	C	.	.	H	α-helix	trans	-66.6	-43.6	177.4	-179.1	-178	177.9	-163.1	-2.5	111.6	F156 D178 L179 L183 S184 E185	F156-R181 VanDerWaalsContact CE1-NH2 3.32Å; D178-R181 HydrophobicContact CB-CB 4Å; D178-R181 PolarHBondContact O-N 3.49Å; D178-R181 VanDerWaalsContact OD1-CB 3.24Å; D178-R181 WeakPolarHBondContact OD1-CB 3.38Å; D178-R181 PolarHBondContact OD1-N 3.18Å; D178-R181 VanDerWaalsContact OD2-CB 3.31Å; D178-R181 WeakPolarHBondContact OD2-CB 3.3Å; L179-R181 VanDerWaalsContact C-N 3.31Å; L179-R181 PolarHBondContact O-N 3.18Å; R181-L183 PolarHBondContact O-N 3.2Å; R181-S184 CarbonylContact O-C 3.51Å; R181-S184 WeakPolarHBondContact O-CB 3.36Å; R181-S184 PolarHBondContact O-N 3.31Å; R181-S184 VanDerWaalsContact O-N 3.14Å; R181-E185 PolarHBondContact O-N 3.01Å
182	V	96.3	Very high	96	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-44.1	177.4	171.2	0	0	0	0	111.5	M108 E155 L173 I176 D178 L179 S184 E185 I186	M108-V182 HydrophobicContact CE-CG1 4.13Å; M108-V182 HydrophobicContact SD-CG1 4.3Å; E155-V182 HydrophobicContact CB-CG2 4.35Å; E155-V182 HydrophobicContact CG-CG2 4.02Å; L173-V182 HydrophobicContact CD2-CG1 3.81Å; I176-V182 HydrophobicContact CG2-CB 4.1Å; I176-V182 HydrophobicContact CG2-CG2 3.47Å; I176-V182 VanDerWaalsContact CG2-CG2 3.47Å; D178-V182 PolarHBondContact O-N 2.9Å; L179-V182 PolarHBondContact O-N 2.86Å; V182-S184 VanDerWaalsContact C-N 3.26Å; V182-S184 PolarHBondContact O-N 3.3Å; V182-E185 WeakPolarHBondContact O-CB 3.26Å; V182-E185 PolarHBondContact O-N 3.3Å; V182-E185 VanDerWaalsContact O-N 3.1Å; V182-I186 HydrophobicContact CG1-CD1 4.14Å; V182-I186 HydrophobicContact CG1-CG1 4.42Å; V182-I186 WeakPolarHBondContact O-CG1 3.22Å; V182-I186 PolarHBondContact O-N 3.44Å
183	L	97	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-37.7	174.5	-67.8	173.9	0	0	0	111.9	L179 R181 I186 H187 F196 L240 L241 A244 F246	L179-L183 HydrophobicContact CD1-CG 4.25Å; L179-L183 HydrophobicContact CG-CD1 4.26Å; L179-L183 HydrophobicContact CG-CG 4.42Å; L179-L183 WeakPolarHBondContact O-CG 3.49Å; L179-L183 PolarHBondContact O-N 2.85Å; R181-L183 PolarHBondContact O-N 3.2Å; L183-I186 HydrophobicContact CD2-CD1 4.3Å; L183-I186 PolarHBondContact O-N 3Å; L183-H187 WeakPolarHBondContact O-CB 3.33Å; L183-H187 PolarHBondContact O-N 2.96Å; L183-F196 HydrophobicContact CD2-CD1 4.41Å; L183-F196 HydrophobicContact CD2-CE1 3.72Å; L183-F196 HydrophobicContact CD2-CZ 4.25Å; L183-L240 HydrophobicContact CD1-CB 3.83Å; L183-L241 HydrophobicContact CD1-CD2 4.29Å; L183-L241 HydrophobicContact CD2-CD2 4.07Å; L183-A244 HydrophobicContact CB-CB 3.53Å; L183-F246 HydrophobicContact CB-CE2 4.36Å; L183-F246 WeakPolarHBondContact O-CE2 3.21Å
184	S	96.5	Very high	96.1	Very high	52 Å²	52	30.2 Å²	30.2	36%	0.364	15%	0.152	S	C	.	.	H	α-helix	trans	-66.6	-37.2	174.5	-57.9	0	0	0	0	112.4	P180 R181 V182 H187 R188	P180-S184 PolarHBondContact O-N 3.08Å; P180-S184 PolarHBondContact O-OG 3.47Å; R181-S184 CarbonylContact O-C 3.51Å; R181-S184 WeakPolarHBondContact O-CB 3.36Å; R181-S184 PolarHBondContact O-N 3.31Å; R181-S184 VanDerWaalsContact O-N 3.14Å; V182-S184 VanDerWaalsContact C-N 3.26Å; V182-S184 PolarHBondContact O-N 3.3Å; S184-H187 PolarHBondContact O-N 3.49Å; S184-R188 WeakPolarHBondContact O-CB 3.34Å; S184-R188 PolarHBondContact O-N 3.15Å
185	E	96.7	Very high	96.2	Very high	44 Å²	44	30 Å²	30	21%	0.206	15%	0.151	C	C	.	.	H	α-helix	trans	-68.3	-40.3	174	-78.1	-63.6	109.5	0	0	112.1	L157 R181 V182 H187 R188 V189	L157-E185 HydrophobicContact CD1-CB 4.48Å; R181-E185 PolarHBondContact O-N 3.01Å; V182-E185 WeakPolarHBondContact O-CB 3.26Å; V182-E185 PolarHBondContact O-N 3.3Å; V182-E185 VanDerWaalsContact O-N 3.1Å; E185-H187 VanDerWaalsContact C-N 3.33Å; E185-H187 PolarHBondContact O-N 3.44Å; E185-R188 VanDerWaalsContact CD-NE 3.33Å; E185-R188 WeakPolarHBondContact O-CB 3.5Å; E185-R188 PolarHBondContact O-N 2.86Å; E185-R188 VanDerWaalsContact O-N 3.15Å; E185-R188 IonicContact OE1-NE 2.78Å; E185-R188 PolarHBondContact OE1-NE 3.38Å; E185-R188 IonicContact OE2-CZ 2.94Å; E185-R188 VanDerWaalsContact OE2-CZ 3.25Å; E185-R188 IonicContact OE2-NE 3.29Å; E185-R188 PolarHBondContact OE2-NE 3.38Å; E185-R188 IonicContact OE2-NH2 2.72Å; E185-R188 PolarHBondContact OE2-NH2 2.65Å; E185-V189 PolarHBondContact O-N 2.85Å
186	I	98	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-48.3	171.4	-65.6	170	0	0	0	109.7	M108 L157 V167 V182 L183 R188 V189 L190 F196 F246	M108-I186 HydrophobicContact CE-CD1 3.58Å; M108-I186 HydrophobicContact CE-CG1 4.17Å; M108-I186 HydrophobicContact SD-CD1 4.21Å; M108-I186 HydrophobicContact SD-CG1 4.14Å; L157-I186 HydrophobicContact CD1-CG1 4.43Å; V167-I186 HydrophobicContact CB-CG2 3.89Å; V167-I186 HydrophobicContact CG1-CG1 4.42Å; V167-I186 HydrophobicContact CG1-CG2 3.81Å; V167-I186 HydrophobicContact CG2-CG2 4.13Å; V182-I186 HydrophobicContact CG1-CD1 4.14Å; V182-I186 HydrophobicContact CG1-CG1 4.42Å; V182-I186 WeakPolarHBondContact O-CG1 3.22Å; V182-I186 PolarHBondContact O-N 3.44Å; L183-I186 HydrophobicContact CD2-CD1 4.3Å; L183-I186 PolarHBondContact O-N 3Å; I186-R188 VanDerWaalsContact C-N 3.28Å; I186-R188 PolarHBondContact O-N 3.15Å; I186-V189 VanDerWaalsContact O-CG2 3.31Å; I186-V189 WeakPolarHBondContact O-CG2 3.37Å; I186-V189 PolarHBondContact O-N 2.79Å; I186-L190 HydrophobicContact CG2-CD1 4.03Å; I186-L190 WeakPolarHBondContact O-CG 3.44Å; I186-L190 PolarHBondContact O-N 2.8Å; I186-F196 HydrophobicContact CD1-CD2 4.11Å; I186-F196 HydrophobicContact CD1-CE2 3.77Å; I186-F196 HydrophobicContact CD1-CZ 4.01Å; I186-F196 HydrophobicContact CG2-CB 3.94Å; I186-F196 HydrophobicContact CG2-CD2 3.74Å; I186-F196 HydrophobicContact CG2-CE2 4.46Å; I186-F196 HydrophobicContact CG2-CG 3.83Å; I186-F246 HydrophobicContact CB-CZ 4.36Å; I186-F246 HydrophobicContact CG2-CZ 3.96Å
187	H	97.7	Very high	96.6	Very high	31 Å²	31	29.4 Å²	29.4	14%	0.144	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-37.6	175.7	-178.3	-80.3	0	0	0	112	L183 S184 E185 A244 R245 F246 K322	L183-H187 WeakPolarHBondContact O-CB 3.33Å; L183-H187 PolarHBondContact O-N 2.96Å; S184-H187 PolarHBondContact O-N 3.49Å; E185-H187 VanDerWaalsContact C-N 3.33Å; E185-H187 PolarHBondContact O-N 3.44Å; H187-A244 PolarHBondContact CD2-O 3.21Å; H187-R245 PolarHBondContact NE2-O 3.17Å; H187-F246 HydrophobicContact CB-CE1 4.26Å; H187-F246 HydrophobicContact CB-CE2 4.01Å; H187-F246 HydrophobicContact CB-CZ 3.76Å; H187-K322 WeakPolarHBondContact O-CD 3.17Å; H187-K322 WeakPolarHBondContact O-CE 3.36Å; H187-K322 PolarHBondContact O-NZ 3.45Å
188	R	97.6	Very high	96.7	Very high	71 Å²	71	28.6 Å²	28.6	27%	0.268	14%	0.144	S	C	.	.	H	α-helix	trans	-62.8	-48.2	176.4	-175.3	-175.7	66.2	73.2	0.6	111.7	L157 F159 E161 N162 S184 E185 I186	L157-R188 PolarHBondContact O-NH2 3.47Å; F159-R188 PolarHBondContact O-NH1 2.73Å; F159-R188 PolarHBondContact O-NH2 3.36Å; F159-R188 VanDerWaalsContact O-NH2 3.07Å; E161-R188 CarbonylContact C-O 3.58Å; E161-R188 WeakPolarHBondContact CA-O 3.39Å; E161-R188 HydrophobicContact CB-CG 3.88Å; E161-R188 WeakPolarHBondContact CB-O 3.43Å; N162-R188 PolarHBondContact N-O 3.18Å; S184-R188 WeakPolarHBondContact O-CB 3.34Å; S184-R188 PolarHBondContact O-N 3.15Å; E185-R188 VanDerWaalsContact CD-NE 3.33Å; E185-R188 WeakPolarHBondContact O-CB 3.5Å; E185-R188 PolarHBondContact O-N 2.86Å; E185-R188 VanDerWaalsContact O-N 3.15Å; E185-R188 IonicContact OE1-NE 2.78Å; E185-R188 PolarHBondContact OE1-NE 3.38Å; E185-R188 IonicContact OE2-CZ 2.94Å; E185-R188 VanDerWaalsContact OE2-CZ 3.25Å; E185-R188 IonicContact OE2-NE 3.29Å; E185-R188 PolarHBondContact OE2-NE 3.38Å; E185-R188 IonicContact OE2-NH2 2.72Å; E185-R188 PolarHBondContact OE2-NH2 2.65Å; I186-R188 VanDerWaalsContact C-N 3.28Å; I186-R188 PolarHBondContact O-N 3.15Å
189	V	98.2	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-76.5	-20.8	-175.8	-57.8	0	0	0	0	113.5	L106 L157 F159 N162 S163 F164 V167 E185 I186	L106-V189 HydrophobicContact CD2-CG2 4.44Å; L157-V189 HydrophobicContact CB-CG1 4.45Å; L157-V189 HydrophobicContact CD1-CG1 4.39Å; L157-V189 HydrophobicContact CD1-CG2 4.12Å; F159-V189 HydrophobicContact CB-CG1 4Å; N162-V189 CarbonylContact C-O 3.59Å; N162-V189 PolarHBondContact N-O 3.3Å; S163-V189 PolarHBondContact N-O 2.84Å; F164-V189 HydrophobicContact CD2-CB 4.04Å; F164-V189 HydrophobicContact CD2-CG2 4.14Å; F164-V189 HydrophobicContact CE2-CB 4.46Å; F164-V189 PolarHBondContact N-O 2.86Å; V167-V189 HydrophobicContact CG2-CG2 4.14Å; E185-V189 PolarHBondContact O-N 2.85Å; I186-V189 VanDerWaalsContact O-CG2 3.31Å; I186-V189 WeakPolarHBondContact O-CG2 3.37Å; I186-V189 PolarHBondContact O-N 2.79Å
190	L	98.4	Very high	97.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	140.5	171.9	-80.4	169.6	0	0	0	111.6	N162 F164 V167 I186 V195 F196 F246 K322	N162-L190 WeakPolarHBondContact CA-O 3.43Å; N162-L190 PolarHBondContact OD1-O 3.26Å; F164-L190 CarbonylContact O-C 3.56Å; F164-L190 WeakPolarHBondContact O-CA 3.31Å; V167-L190 HydrophobicContact CB-CD2 4.24Å; V167-L190 HydrophobicContact CB-CG 4.46Å; V167-L190 HydrophobicContact CG2-CD1 4.46Å; V167-L190 HydrophobicContact CG2-CD2 3.62Å; V167-L190 HydrophobicContact CG2-CG 3.75Å; I186-L190 HydrophobicContact CG2-CD1 4.03Å; I186-L190 WeakPolarHBondContact O-CG 3.44Å; I186-L190 PolarHBondContact O-N 2.8Å; L190-V195 WeakPolarHBondContact CD2-O 3.44Å; L190-F196 HydrophobicContact CD1-CB 3.97Å; L190-F246 HydrophobicContact CD1-CE1 3.72Å; L190-F246 HydrophobicContact CD1-CZ 4.28Å; L190-K322 HydrophobicContact CB-CB 4.37Å; L190-K322 HydrophobicContact CB-CD 3.96Å; L190-K322 VanDerWaalsContact O-CD 3.26Å; L190-K322 WeakPolarHBondContact O-CD 3.32Å; L190-K322 WeakPolarHBondContact O-CE 3.47Å; L190-K322 PolarHBondContact O-NZ 3.44Å
191	K	98.1	Very high	97.2	Very high	72 Å²	72	23.7 Å²	23.7	31%	0.313	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	157.5	166.3	-75.2	-179.6	176.4	-164.7	0	110.8	N162 F164 H165 D193 G194 K322	N162-K191 VanDerWaalsContact C-CG 3.41Å; N162-K191 HydrophobicContact CB-CG 4.19Å; N162-K191 VanDerWaalsContact O-CE 3.3Å; N162-K191 WeakPolarHBondContact O-CE 3.47Å; N162-K191 WeakPolarHBondContact O-CG 3.41Å; F164-K191 PolarHBondContact O-N 2.72Å; H165-K191 PolarHBondContact CE1-NZ 3.21Å; H165-K191 VanDerWaalsContact CE1-NZ 3.3Å; H165-K191 WeakPolarHBondContact NE2-CD 3.49Å; H165-K191 PolarHBondContact NE2-NZ 3.26Å; K191-D193 PolarHBondContact O-N 3.21Å; K191-G194 WeakPolarHBondContact O-CA 3.47Å; K191-G194 PolarHBondContact O-N 3.43Å; K191-K322 WeakPolarHBondContact O-CD 3.41Å
192	P	96.6	Very high	97.3	Very high	64 Å²	64	18.2 Å²	18.2	42%	0.416	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	137.4	164.4	-22.1	33.3	0	0	0	110.1	G194 H324	P192-G194 PolarHBondContact O-N 3.26Å; P192-H324 HydrophobicContact CB-CB 4.1Å; P192-H324 VanDerWaalsContact CB-CD2 3.44Å; P192-H324 WeakPolarHBondContact CB-CD2 3.41Å
193	D	95.1	Very high	97.2	Very high	46 Å²	46	19 Å²	19	25%	0.246	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.9	6.2	-172.9	-156.7	34.8	0	0	0	115.9	R100 K191 K322 H324 Q327	R100-D193 PolarHBondContact NH1-O 3.44Å; K191-D193 PolarHBondContact O-N 3.21Å; D193-K322 WeakPolarHBondContact CA-O 3.41Å; D193-K322 PolarHBondContact N-O 3.05Å; D193-H324 HydrophobicContact CB-CB 3.72Å; D193-Q327 WeakPolarHBondContact OD1-CG 3.29Å; D193-Q327 PolarHBondContact OD1-NE2 2.76Å
194	G	97.4	Very high	97.1	Very high	2 Å²	2	23 Å²	23	2%	0.021	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	153.4	171.1	0	0	0	0	0	112.2	H165 K191 P192 K322	H165-G194 WeakPolarHBondContact O-CA 3.43Å; K191-G194 WeakPolarHBondContact O-CA 3.47Å; K191-G194 PolarHBondContact O-N 3.43Å; P192-G194 PolarHBondContact O-N 3.26Å; G194-K322 PolarHBondContact O-N 3.42Å
195	V	97.9	Very high	97.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.5	-179.2	65.2	0	0	0	0	111.9	I98 F102 H165 L166 V167 L190 I197 I319 W321	I98-V195 HydrophobicContact CD1-CB 4.44Å; I98-V195 HydrophobicContact CD1-CG1 3.89Å; I98-V195 HydrophobicContact CD1-CG2 4.02Å; F102-V195 HydrophobicContact CE1-CG1 3.66Å; F102-V195 HydrophobicContact CZ-CG1 3.74Å; H165-V195 PolarHBondContact O-N 3.4Å; L166-V195 CarbonylContact C-O 3.54Å; L166-V195 WeakPolarHBondContact CA-O 3.27Å; L166-V195 HydrophobicContact CD1-CG1 3.54Å; V167-V195 PolarHBondContact N-O 3.44Å; L190-V195 WeakPolarHBondContact CD2-O 3.44Å; V195-I197 HydrophobicContact CG2-CG1 4.09Å; V195-I319 HydrophobicContact CG2-CG2 3.65Å; V195-W321 HydrophobicContact CB-CD2 4.13Å; V195-W321 HydrophobicContact CB-CE3 4.42Å; V195-W321 HydrophobicContact CG2-CD2 4.1Å; V195-W321 HydrophobicContact CG2-CG 4.26Å; V195-W321 HydrophobicContact CG2-CZ2 4.4Å
196	F	98.5	Very high	97.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.5	166.3	168.7	-124.6	0	0	0	109.3	V167 L173 L183 I186 L190 L241 F246 M318 I319 G320	V167-F196 HydrophobicContact CB-CD2 4.24Å; V167-F196 HydrophobicContact CG1-CD2 4.11Å; V167-F196 CarbonylContact O-C 3.51Å; V167-F196 VanDerWaalsContact O-CA 3.31Å; V167-F196 WeakPolarHBondContact O-CA 3.1Å; V167-F196 WeakPolarHBondContact O-CD2 3.38Å; L173-F196 HydrophobicContact CD1-CE2 4.35Å; L173-F196 HydrophobicContact CD1-CZ 3.65Å; L183-F196 HydrophobicContact CD2-CD1 4.41Å; L183-F196 HydrophobicContact CD2-CE1 3.72Å; L183-F196 HydrophobicContact CD2-CZ 4.25Å; I186-F196 HydrophobicContact CD1-CD2 4.11Å; I186-F196 HydrophobicContact CD1-CE2 3.77Å; I186-F196 HydrophobicContact CD1-CZ 4.01Å; I186-F196 HydrophobicContact CG2-CB 3.94Å; I186-F196 HydrophobicContact CG2-CD2 3.74Å; I186-F196 HydrophobicContact CG2-CE2 4.46Å; I186-F196 HydrophobicContact CG2-CG 3.83Å; L190-F196 HydrophobicContact CD1-CB 3.97Å; F196-L241 HydrophobicContact CD1-CD2 4.27Å; F196-L241 HydrophobicContact CE1-CD2 4.22Å; F196-F246 HydrophobicContact CB-CE1 3.7Å; F196-F246 HydrophobicContact CB-CZ 3.93Å; F196-F246 HydrophobicContact CD1-CE2 4.49Å; F196-F246 HydrophobicContact CD1-CZ 4.21Å; F196-F246 HydrophobicContact CG-CZ 4.31Å; F196-M318 HydrophobicContact CD1-CG 4.45Å; F196-M318 HydrophobicContact CE1-CG 3.62Å; F196-M318 HydrophobicContact CE1-SD 3.73Å; F196-M318 HydrophobicContact CZ-CG 4.06Å; F196-M318 HydrophobicContact CZ-SD 4.05Å; F196-I319 WeakPolarHBondContact O-CA 3.4Å; F196-G320 PolarHBondContact N-O 3.22Å; F196-G320 PolarHBondContact O-N 2.95Å
197	I	98.4	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116	171	-53.4	-179.9	0	0	0	108.2	V91 R94 V95 I98 L166 V167 V168 S169 V195 M318 I319	V91-I197 HydrophobicContact CG1-CG2 4.07Å; R94-I197 HydrophobicContact CB-CG2 4.23Å; V95-I197 HydrophobicContact CB-CD1 4.44Å; V95-I197 HydrophobicContact CG2-CD1 3.77Å; I98-I197 HydrophobicContact CD1-CD1 3.84Å; L166-I197 HydrophobicContact CD1-CD1 4.17Å; L166-I197 HydrophobicContact CD1-CG1 4.24Å; V167-I197 PolarHBondContact O-N 2.83Å; V168-I197 CarbonylContact C-O 3.5Å; V168-I197 WeakPolarHBondContact CA-O 3.18Å; V168-I197 HydrophobicContact CG1-CB 4.37Å; S169-I197 PolarHBondContact N-O 2.96Å; V195-I197 HydrophobicContact CG2-CG1 4.09Å; I197-M318 CarbonylContact C-O 3.53Å; I197-M318 WeakPolarHBondContact CA-O 3.27Å; I197-I319 HydrophobicContact CG1-CG1 4.32Å; I197-I319 HydrophobicContact CG1-CG2 4.42Å; I197-I319 HydrophobicContact CG2-CG1 4.33Å
198	G	97.5	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.5	-179.7	0	0	0	0	0	112	S169 Y317 M318	S169-G198 CarbonylContact O-C 3.21Å; S169-G198 WeakPolarHBondContact O-CA 3.32Å; G198-Y317 CarbonylContact O-C 3.56Å; G198-Y317 WeakPolarHBondContact O-CA 3.45Å; G198-M318 PolarHBondContact N-O 3.47Å; G198-M318 PolarHBondContact O-N 3.25Å
199	A	97.8	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.7	163.8	0	0	0	0	0	109.3	V87 V91 S169 F171 I315 L316 Y317	V87-A199 HydrophobicContact CG1-CB 3.5Å; V87-A199 VanDerWaalsContact CG1-CB 3.5Å; V91-A199 HydrophobicContact CG2-CB 3.54Å; S169-A199 PolarHBondContact O-N 3.14Å; F171-A199 WeakPolarHBondContact CA-O 3.11Å; F171-A199 PolarHBondContact N-O 3.3Å; A199-I315 HydrophobicContact CB-CG2 4.13Å; A199-L316 WeakPolarHBondContact CA-O 3.4Å; A199-Y317 HydrophobicContact CB-CD1 3.74Å; A199-Y317 HydrophobicContact CB-CE1 3.69Å
200	M	96.8	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.7	178	67.4	-178.1	-115.3	0	0	112.1	L173 H174 L179 T232 L316 M318	L173-M200 HydrophobicContact CB-CB 4.11Å; L173-M200 HydrophobicContact CB-SD 3.88Å; H174-M200 HydrophobicContact CB-CB 4.21Å; H174-M200 HydrophobicContact CB-CE 4.49Å; L179-M200 HydrophobicContact CD2-CE 4.19Å; L179-M200 HydrophobicContact CD2-SD 4.31Å; M200-T232 VanDerWaalsContact CE-CB 3.46Å; M200-T232 HydrophobicContact CE-CG2 4.26Å; M200-T232 WeakPolarHBondContact CE-OG1 3.09Å; M200-L316 HydrophobicContact CG-CB 4.31Å; M200-L316 PolarHBondContact N-O 2.92Å; M200-L316 PolarHBondContact O-N 3.17Å; M200-M318 HydrophobicContact CG-CE 3.63Å; M200-M318 HydrophobicContact SD-CE 3.67Å
201	A	97.1	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.9	174.5	0	0	0	0	0	111.6	F171 H174 T205 Y231 Q314	F171-A201 HydrophobicContact CE2-CB 3.9Å; F171-A201 HydrophobicContact CZ-CB 4.2Å; H174-A201 HydrophobicContact CB-CB 4.27Å; H174-A201 PolarHBondContact ND1-N 2.85Å; A201-T205 HydrophobicContact CB-CG2 4.27Å; A201-Y231 HydrophobicContact CB-CD1 3.91Å; A201-Y231 HydrophobicContact CB-CE1 3.87Å; A201-Y231 HydrophobicContact CB-CG 4.4Å; A201-Q314 CarbonylContact C-O 3.11Å; A201-Q314 WeakPolarHBondContact CA-O 3.45Å
202	G	96.3	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-96.2	170.9	177.3	0	0	0	0	0	114	D204 T205 Y231 Q314	G202-D204 PolarHBondContact O-N 3.12Å; G202-D204 VanDerWaalsContact O-N 3.13Å; G202-T205 PolarHBondContact N-OG1 3.36Å; G202-T205 WeakPolarHBondContact O-CB 3.35Å; G202-T205 PolarHBondContact O-N 2.83Å; G202-T205 PolarHBondContact O-OG1 3.1Å; G202-Y231 VanDerWaalsContact C-CB 3.43Å; G202-Y231 VanDerWaalsContact O-CB 3.26Å; G202-Y231 WeakPolarHBondContact O-CB 3.49Å; G202-Y231 WeakPolarHBondContact O-CD2 3.18Å; G202-Q314 PolarHBondContact N-O 3.15Å
203	G	94.1	Very high	96.9	Very high	16 Å²	16	16.7 Å²	16.7	17%	0.165	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-36	-177.4	0	0	0	0	0	115.5	T205 R210 T232	G203-T205 VanDerWaalsContact C-N 3.3Å; G203-T205 PolarHBondContact O-N 2.78Å; G203-R210 PolarHBondContact O-NH1 3.3Å; G203-R210 PolarHBondContact O-NH2 3.25Å; G203-T232 PolarHBondContact N-O 3.38Å
204	D	95.1	Very high	97	Very high	86 Å²	86	17.4 Å²	17.4	46%	0.46	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.1	-175.9	-57.9	-39.1	0	0	0	113.3	G202 L206 Y207 Q314	G202-D204 PolarHBondContact O-N 3.12Å; G202-D204 VanDerWaalsContact O-N 3.13Å; D204-L206 PolarHBondContact O-N 3.05Å; D204-Y207 WeakPolarHBondContact O-CD1 3.3Å; D204-Y207 PolarHBondContact O-N 2.95Å; D204-Q314 HydrophobicContact CB-CB 4.2Å; D204-Q314 PolarHBondContact OD2-NE2 3.29Å
205	T	97.4	Very high	96.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	128.7	174	-61	0	0	0	0	111.2	A201 G202 G203 Y207 Y231 T312 F313 Q314	A201-T205 HydrophobicContact CB-CG2 4.27Å; G202-T205 PolarHBondContact N-OG1 3.36Å; G202-T205 WeakPolarHBondContact O-CB 3.35Å; G202-T205 PolarHBondContact O-N 2.83Å; G202-T205 PolarHBondContact O-OG1 3.1Å; G203-T205 VanDerWaalsContact C-N 3.3Å; G203-T205 PolarHBondContact O-N 2.78Å; T205-Y207 PolarHBondContact O-N 3.02Å; T205-Y231 HydrophobicContact CG2-CD2 4.42Å; T205-Y231 HydrophobicContact CG2-CE2 3.84Å; T205-T312 CarbonylContact C-O 3.44Å; T205-T312 WeakPolarHBondContact CA-O 3.36Å; T205-F313 HydrophobicContact CG2-CD1 3.87Å; T205-Q314 PolarHBondContact OG1-N 3.34Å; T205-Q314 PolarHBondContact OG1-O 3.49Å; T205-Q314 VanDerWaalsContact OG1-O 3.08Å
206	L	97.3	Very high	96.9	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	32.9	178.2	-59	170.1	0	0	0	113.4	D204 E208 L209 R210 V228 L266 L270 A311 T312 F313	D204-L206 PolarHBondContact O-N 3.05Å; L206-E208 PolarHBondContact O-N 3.34Å; L206-L209 HydrophobicContact CB-CB 4.3Å; L206-L209 HydrophobicContact CD1-CD2 4.44Å; L206-L209 PolarHBondContact O-N 3.13Å; L206-R210 VanDerWaalsContact O-CB 3.29Å; L206-R210 WeakPolarHBondContact O-CB 3.25Å; L206-R210 PolarHBondContact O-N 2.9Å; L206-V228 HydrophobicContact CB-CG1 4.16Å; L206-V228 HydrophobicContact CB-CG2 4.36Å; L206-V228 HydrophobicContact CD1-CG1 4.35Å; L206-L266 HydrophobicContact CD2-CD1 4.16Å; L206-L270 HydrophobicContact CD1-CD1 3.71Å; L206-L270 HydrophobicContact CD1-CD2 3.83Å; L206-L270 HydrophobicContact CD1-CG 4.45Å; L206-L270 HydrophobicContact CD2-CD1 4.34Å; L206-L270 HydrophobicContact CD2-CD2 4.47Å; L206-A311 HydrophobicContact CD2-CB 3.98Å; L206-T312 PolarHBondContact N-O 3.04Å; L206-F313 HydrophobicContact CD1-CE1 4.48Å; L206-F313 HydrophobicContact CD2-CD1 4.44Å; L206-F313 HydrophobicContact CD2-CE1 3.82Å; L206-F313 HydrophobicContact CD2-CZ 3.89Å; L206-F313 HydrophobicContact CG-CE1 4.2Å
207	Y	97.1	Very high	96.7	Very high	87 Å²	87	21.6 Å²	21.6	34%	0.341	11%	0.109	S	C	.	.	H	α-helix	trans	-60.2	-34.7	-179.5	79.8	-89.4	0	0	0	111.6	D204 T205 R210 C211 Y302 T312	D204-Y207 WeakPolarHBondContact O-CD1 3.3Å; D204-Y207 PolarHBondContact O-N 2.95Å; T205-Y207 PolarHBondContact O-N 3.02Å; Y207-R210 PolarHBondContact O-N 2.78Å; Y207-C211 WeakPolarHBondContact O-CB 3.37Å; Y207-C211 PolarHBondContact O-N 3.43Å; Y207-C211 PolarHBondContact O-SG 3.23Å; Y207-Y302 AromaticContact CE2-CE1 3.98Å; Y207-Y302 HydrophobicContact CE2-CE1 3.98Å; Y207-T312 HydrophobicContact CE1-CG2 4.38Å
208	E	98	Very high	96.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-54.5	177.9	-55.8	92	157.4	0	0	110.9	L206 R210 C211 S212 Y298 Y302 T312	L206-E208 PolarHBondContact O-N 3.34Å; E208-R210 VanDerWaalsContact C-N 3.32Å; E208-R210 PolarHBondContact O-N 3.4Å; E208-C211 PolarHBondContact O-N 3.13Å; E208-S212 PolarHBondContact O-N 3.12Å; E208-S212 PolarHBondContact O-OG 3Å; E208-S212 VanDerWaalsContact O-OG 3.06Å; E208-Y298 HydrophobicContact CB-CD2 4.35Å; E208-Y298 HydrophobicContact CB-CE2 3.45Å; E208-Y298 VanDerWaalsContact CB-CE2 3.45Å; E208-Y298 WeakPolarHBondContact CB-OH 3.31Å; E208-Y298 HydrophobicContact CG-CE2 4.37Å; E208-Y302 HydrophobicContact CB-CD1 4.38Å; E208-Y302 HydrophobicContact CB-CD2 3.62Å; E208-Y302 HydrophobicContact CB-CE2 3.77Å; E208-Y302 HydrophobicContact CB-CG 3.94Å; E208-Y302 HydrophobicContact CG-CD1 3.92Å; E208-Y302 HydrophobicContact CG-CD2 4.08Å; E208-Y302 HydrophobicContact CG-CE1 4.18Å; E208-Y302 HydrophobicContact CG-CE2 4.3Å; E208-Y302 HydrophobicContact CG-CG 3.87Å; E208-Y302 WeakPolarHBondContact O-CE2 3.14Å; E208-T312 VanDerWaalsContact OE1-CB 3.3Å; E208-T312 WeakPolarHBondContact OE1-CB 3.35Å; E208-T312 PolarHBondContact OE1-N 3.39Å; E208-T312 PolarHBondContact OE1-OG1 2.76Å; E208-T312 PolarHBondContact OE2-N 2.91Å
209	L	97.2	Very high	96.4	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-44.5	176.7	176.9	64	0	0	0	111.8	L206 L213 V228 I263 L266 M267 L270 Y298	L206-L209 HydrophobicContact CB-CB 4.3Å; L206-L209 HydrophobicContact CD1-CD2 4.44Å; L206-L209 PolarHBondContact O-N 3.13Å; L209-L213 HydrophobicContact CD1-CD1 3.7Å; L209-L213 HydrophobicContact CD1-CG 4.14Å; L209-L213 HydrophobicContact CG-CD1 3.86Å; L209-L213 WeakPolarHBondContact O-CB 3.48Å; L209-L213 WeakPolarHBondContact O-CG 3.31Å; L209-L213 PolarHBondContact O-N 2.96Å; L209-V228 HydrophobicContact CD2-CG2 4.19Å; L209-V228 HydrophobicContact CG-CG2 4.27Å; L209-I263 HydrophobicContact CD1-CD1 3.62Å; L209-I263 HydrophobicContact CD1-CG1 3.53Å; L209-L266 HydrophobicContact CB-CD2 4.1Å; L209-L266 HydrophobicContact CD1-CD2 4.24Å; L209-L266 HydrophobicContact CD2-CD2 3.99Å; L209-L266 HydrophobicContact CD2-CG 4.41Å; L209-L266 HydrophobicContact CG-CD2 4.34Å; L209-M267 HydrophobicContact CD1-CG 4.49Å; L209-L270 HydrophobicContact CD2-CD1 3.74Å; L209-Y298 HydrophobicContact CB-CE1 3.87Å; L209-Y298 HydrophobicContact CD1-CD1 4.33Å; L209-Y298 HydrophobicContact CD1-CE1 3.96Å
210	R	96.4	Very high	96.3	Very high	58 Å²	58	36.5 Å²	36.5	22%	0.219	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-50.5	179.6	176.9	170.8	56.5	-148.1	2	111.1	G203 L206 Y207 E208 L213 Q214 V228	G203-R210 PolarHBondContact O-NH1 3.3Å; G203-R210 PolarHBondContact O-NH2 3.25Å; L206-R210 VanDerWaalsContact O-CB 3.29Å; L206-R210 WeakPolarHBondContact O-CB 3.25Å; L206-R210 PolarHBondContact O-N 2.9Å; Y207-R210 PolarHBondContact O-N 2.78Å; E208-R210 VanDerWaalsContact C-N 3.32Å; E208-R210 PolarHBondContact O-N 3.4Å; R210-L213 PolarHBondContact O-N 3.05Å; R210-Q214 WeakPolarHBondContact O-CB 3.46Å; R210-Q214 VanDerWaalsContact O-CG 3.24Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å; R210-Q214 PolarHBondContact O-N 2.84Å; R210-V228 HydrophobicContact CB-CB 4.18Å; R210-V228 HydrophobicContact CB-CG2 3.89Å; R210-V228 HydrophobicContact CG-CB 4.46Å
211	C	96.9	Very high	96.2	Very high	39 Å²	39	39.3 Å²	39.3	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-63	-45.9	179.6	-71.7	0	0	0	0	111.5	Y207 E208 L213 Q214 L215 M301 Y302	Y207-C211 WeakPolarHBondContact O-CB 3.37Å; Y207-C211 PolarHBondContact O-N 3.43Å; Y207-C211 PolarHBondContact O-SG 3.23Å; E208-C211 PolarHBondContact O-N 3.13Å; C211-L213 PolarHBondContact O-N 2.99Å; C211-Q214 PolarHBondContact O-N 3.29Å; C211-L215 WeakPolarHBondContact O-CB 3.08Å; C211-L215 WeakPolarHBondContact O-CG 3.43Å; C211-L215 PolarHBondContact O-N 3Å; C211-M301 HydrophobicContact CB-CE 4.37Å; C211-Y302 HydrophobicContact CB-CE2 4.4Å; C211-Y302 WeakPolarHBondContact CB-OH 2.98Å
212	S	97.5	Very high	95.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-41.8	179.7	-60	0	0	0	0	112.8	E208 A216 Y298	E208-S212 PolarHBondContact O-N 3.12Å; E208-S212 PolarHBondContact O-OG 3Å; E208-S212 VanDerWaalsContact O-OG 3.06Å; S212-A216 VanDerWaalsContact O-CB 3.25Å; S212-A216 WeakPolarHBondContact O-CB 3.29Å; S212-A216 PolarHBondContact O-N 2.95Å; S212-A216 VanDerWaalsContact O-N 3.07Å; S212-Y298 WeakPolarHBondContact OG-CA 3.17Å; S212-Y298 WeakPolarHBondContact OG-CB 3.35Å; S212-Y298 PolarHBondContact OG-N 3.27Å
213	L	96.2	Very high	95.6	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-40.3	176	-74.9	169.6	0	0	0	112.5	L209 R210 C211 Q217 H227 I263 L286 M291 A294	L209-L213 HydrophobicContact CD1-CD1 3.7Å; L209-L213 HydrophobicContact CD1-CG 4.14Å; L209-L213 HydrophobicContact CG-CD1 3.86Å; L209-L213 WeakPolarHBondContact O-CB 3.48Å; L209-L213 WeakPolarHBondContact O-CG 3.31Å; L209-L213 PolarHBondContact O-N 2.96Å; R210-L213 PolarHBondContact O-N 3.05Å; C211-L213 PolarHBondContact O-N 2.99Å; L213-Q217 VanDerWaalsContact O-CB 3.25Å; L213-Q217 WeakPolarHBondContact O-CB 3.14Å; L213-Q217 PolarHBondContact O-N 2.86Å; L213-H227 HydrophobicContact CB-CB 4.42Å; L213-H227 HydrophobicContact CD1-CB 3.58Å; L213-I263 HydrophobicContact CD2-CD1 4.3Å; L213-I263 HydrophobicContact CG-CD1 4.45Å; L213-L286 HydrophobicContact CD2-CD2 3.68Å; L213-M291 HydrophobicContact CD2-CE 4.42Å; L213-A294 HydrophobicContact CD2-CB 3.72Å; L213-A294 HydrophobicContact CG-CB 4.36Å
214	Q	95.4	Very high	95.4	Very high	62 Å²	62	49.8 Å²	49.8	29%	0.29	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-45.3	178.6	-77.6	174	-22	0	0	112	R210 C211 S218 F224	R210-Q214 WeakPolarHBondContact O-CB 3.46Å; R210-Q214 VanDerWaalsContact O-CG 3.24Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å; R210-Q214 PolarHBondContact O-N 2.84Å; C211-Q214 PolarHBondContact O-N 3.29Å; Q214-S218 VanDerWaalsContact O-CB 3.3Å; Q214-S218 WeakPolarHBondContact O-CB 3.42Å; Q214-S218 PolarHBondContact O-N 2.94Å; Q214-S218 PolarHBondContact O-OG 3.32Å; Q214-F224 HydrophobicContact CG-CD2 3.91Å; Q214-F224 HydrophobicContact CG-CE2 4.46Å; Q214-F224 HydrophobicContact CG-CG 4.3Å
215	L	96.3	Very high	95.2	Very high	86 Å²	86	46.4 Å²	46.4	45%	0.45	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-50.3	178.3	-71.3	172.3	0	0	0	111.2	C211 Q217 S218 E219 V297 M301	C211-L215 WeakPolarHBondContact O-CB 3.08Å; C211-L215 WeakPolarHBondContact O-CG 3.43Å; C211-L215 PolarHBondContact O-N 3Å; L215-Q217 VanDerWaalsContact C-N 3.33Å; L215-Q217 PolarHBondContact O-N 3.01Å; L215-S218 PolarHBondContact O-N 3.29Å; L215-E219 PolarHBondContact O-N 3.03Å; L215-V297 HydrophobicContact CB-CG1 4.23Å; L215-V297 HydrophobicContact CD1-CG1 3.97Å; L215-M301 HydrophobicContact CD1-CE 3.71Å; L215-M301 HydrophobicContact CD1-SD 3.52Å; L215-M301 VanDerWaalsContact CD1-SD 3.52Å
216	A	96.7	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-42.1	179.7	0	0	0	0	0	112.5	S212 R220 T290 A293 A294	S212-A216 VanDerWaalsContact O-CB 3.25Å; S212-A216 WeakPolarHBondContact O-CB 3.29Å; S212-A216 PolarHBondContact O-N 2.95Å; S212-A216 VanDerWaalsContact O-N 3.07Å; A216-R220 WeakPolarHBondContact O-CB 3.41Å; A216-R220 WeakPolarHBondContact O-CG 3.47Å; A216-R220 PolarHBondContact O-N 2.78Å; A216-T290 HydrophobicContact CB-CG2 4.41Å; A216-A293 HydrophobicContact CB-CB 3.84Å; A216-A294 VanDerWaalsContact CB-CA 3.49Å; A216-A294 HydrophobicContact CB-CB 3.7Å; A216-A294 VanDerWaalsContact CB-N 3.28Å
217	Q	95	Very high	94.7	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-40.3	178.6	-161.2	177.6	17.7	0	0	111.8	L213 L215 E219 R220 E221 G223 F224 S225 H227 T290	L213-Q217 VanDerWaalsContact O-CB 3.25Å; L213-Q217 WeakPolarHBondContact O-CB 3.14Å; L213-Q217 PolarHBondContact O-N 2.86Å; L215-Q217 VanDerWaalsContact C-N 3.33Å; L215-Q217 PolarHBondContact O-N 3.01Å; Q217-E219 VanDerWaalsContact C-N 3.32Å; Q217-E219 PolarHBondContact O-N 2.91Å; Q217-R220 PolarHBondContact O-N 3.46Å; Q217-E221 HydrophobicContact CG-CB 4.23Å; Q217-E221 HydrophobicContact CG-CG 4.21Å; Q217-E221 PolarHBondContact NE2-OE2 3.28Å; Q217-E221 WeakPolarHBondContact O-CA 3.26Å; Q217-E221 WeakPolarHBondContact O-CB 3.21Å; Q217-E221 PolarHBondContact O-N 3.45Å; Q217-G223 CarbonylContact C-O 3.51Å; Q217-G223 WeakPolarHBondContact CG-O 3.42Å; Q217-G223 VanDerWaalsContact O-O 3.08Å; Q217-F224 HydrophobicContact CB-CB 4.46Å; Q217-S225 PolarHBondContact NE2-OG 3.29Å; Q217-S225 PolarHBondContact OE1-OG 3.36Å; Q217-H227 PolarHBondContact OE1-NE2 3.31Å; Q217-T290 HydrophobicContact CB-CG2 3.78Å; Q217-T290 HydrophobicContact CG-CG2 4.02Å
218	S	95.2	Very high	94.5	Very high	49 Å²	49	46 Å²	46	34%	0.343	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-42.2	177.9	-59.7	0	0	0	0	111.5	Q214 L215 G222 G223	Q214-S218 VanDerWaalsContact O-CB 3.3Å; Q214-S218 WeakPolarHBondContact O-CB 3.42Å; Q214-S218 PolarHBondContact O-N 2.94Å; Q214-S218 PolarHBondContact O-OG 3.32Å; L215-S218 PolarHBondContact O-N 3.29Å; S218-G222 VanDerWaalsContact O-CA 3.31Å; S218-G222 WeakPolarHBondContact O-CA 3.46Å; S218-G222 PolarHBondContact O-N 2.9Å; S218-G222 VanDerWaalsContact O-N 3.08Å; S218-G223 WeakPolarHBondContact CA-O 3.33Å; S218-G223 PolarHBondContact N-O 2.76Å
219	E	95.3	Very high	94.2	Very high	123 Å²	123	46.1 Å²	46.1	58%	0.575	25%	0.252	S	S	*	.	H	α-helix	trans	-66.8	-44.6	177.2	-171.4	-159.3	146	0	0	112.4	L215 Q217	L215-E219 PolarHBondContact O-N 3.03Å; Q217-E219 VanDerWaalsContact C-N 3.32Å; Q217-E219 PolarHBondContact O-N 2.91Å
220	R	95.2	Very high	93.9	Very high	141 Å²	141	49 Å²	49	53%	0.532	27%	0.271	S	S	.	.	H	α-helix	trans	-85.5	-30.8	-171.2	-61.7	-67.9	157.2	172	-6.2	113.8	A216 Q217 A293	A216-R220 WeakPolarHBondContact O-CB 3.41Å; A216-R220 WeakPolarHBondContact O-CG 3.47Å; A216-R220 PolarHBondContact O-N 2.78Å; Q217-R220 PolarHBondContact O-N 3.46Å; R220-A293 HydrophobicContact CG-CB 4.01Å
221	E	93.8	Very high	93.8	Very high	60 Å²	60	47.8 Å²	47.8	28%	0.28	27%	0.267	S	S	.	.	H	α-helix	trans	-122.3	-5.3	-169.6	-55.8	179.7	-153.7	0	0	113.1	Q217 G223 R283 H287 T290	Q217-E221 HydrophobicContact CG-CB 4.23Å; Q217-E221 HydrophobicContact CG-CG 4.21Å; Q217-E221 PolarHBondContact NE2-OE2 3.28Å; Q217-E221 WeakPolarHBondContact O-CA 3.26Å; Q217-E221 WeakPolarHBondContact O-CB 3.21Å; Q217-E221 PolarHBondContact O-N 3.45Å; E221-G223 VanDerWaalsContact C-N 3.33Å; E221-R283 IonicContact OE2-CZ 2.82Å; E221-R283 IonicContact OE2-NH1 3.81Å; E221-R283 PolarHBondContact OE2-NH1 2.94Å; E221-R283 IonicContact OE2-NH2 3.33Å; E221-H287 IonicContact OE1-CG 2.86Å; E221-T290 PolarHBondContact OE1-OG1 3.15Å
222	G	92	Very high	93.5	Very high	75 Å²	75	47.6 Å²	47.6	77%	0.773	26%	0.264	S	S	*	.	S	Bend	trans	75.5	17.7	179	0	0	0	0	0	114.6	S218	S218-G222 VanDerWaalsContact O-CA 3.31Å; S218-G222 WeakPolarHBondContact O-CA 3.46Å; S218-G222 PolarHBondContact O-N 2.9Å; S218-G222 VanDerWaalsContact O-N 3.08Å
223	G	89.8	Confident	93.3	Very high	33 Å²	33	49.5 Å²	49.5	34%	0.34	28%	0.28	S	S	.	.	S	Bend	trans	-176.1	-179.3	177.1	0	0	0	0	0	111.5	Q217 S218 E221	Q217-G223 CarbonylContact C-O 3.51Å; Q217-G223 WeakPolarHBondContact CG-O 3.42Å; Q217-G223 VanDerWaalsContact O-O 3.08Å; S218-G223 WeakPolarHBondContact CA-O 3.33Å; S218-G223 PolarHBondContact N-O 2.76Å; E221-G223 VanDerWaalsContact C-N 3.33Å
224	F	90.1	Very high	93	Very high	127 Å²	127	52 Å²	52	56%	0.557	30%	0.295	S	S	*	.			trans	-138.1	156.5	177.3	75.5	-87.5	0	0	0	112.8	Q214 Q217	Q214-F224 HydrophobicContact CG-CD2 3.91Å; Q214-F224 HydrophobicContact CG-CE2 4.46Å; Q214-F224 HydrophobicContact CG-CG 4.3Å; Q217-F224 HydrophobicContact CB-CB 4.46Å
225	S	90.5	Very high	92.7	Very high	16 Å²	16	54.1 Å²	54.1	11%	0.112	31%	0.312	C	S	.	.			trans	-122.8	151.5	170.6	57.9	0	0	0	0	110	Q217 H227	Q217-S225 PolarHBondContact NE2-OG 3.29Å; Q217-S225 PolarHBondContact OE1-OG 3.36Å; S225-H227 PolarHBondContact O-CD2 2.8Å; S225-H227 PolarHBondContact O-N 2.84Å; S225-H227 VanDerWaalsContact O-N 3.12Å; S225-H227 PolarHBondContact OG-CE1 3.37Å; S225-H227 VanDerWaalsContact OG-CE1 3.3Å; S225-H227 PolarHBondContact OG-NE2 3.24Å
226	P	91.1	Very high	92.5	Very high	34 Å²	34	53.9 Å²	53.9	22%	0.221	31%	0.311	C	S	.	.			trans	-67.8	113.9	176.8	27	-32.1	0	0	0	110	N277 N281	P226-N277 PolarHBondContact O-ND2 3.18Å; P226-N281 HydrophobicContact CG-CB 4.5Å; P226-N281 WeakPolarHBondContact CG-OD1 3.47Å
227	H	92.1	Very high	92.3	Very high	37 Å²	37	53.9 Å²	53.9	17%	0.171	31%	0.311	C	S	.	.			trans	-97.5	-23.6	174.7	-66.5	-68	0	0	0	113	L213 Q217 S225 N277	L213-H227 HydrophobicContact CB-CB 4.42Å; L213-H227 HydrophobicContact CD1-CB 3.58Å; Q217-H227 PolarHBondContact OE1-NE2 3.31Å; S225-H227 PolarHBondContact O-CD2 2.8Å; S225-H227 PolarHBondContact O-N 2.84Å; S225-H227 VanDerWaalsContact O-N 3.12Å; S225-H227 PolarHBondContact OG-CE1 3.37Å; S225-H227 VanDerWaalsContact OG-CE1 3.3Å; S225-H227 PolarHBondContact OG-NE2 3.24Å; H227-N277 WeakPolarHBondContact O-CB 3.24Å; H227-N277 PolarHBondContact O-ND2 3.22Å; H227-N277 VanDerWaalsContact O-ND2 3.1Å
228	V	93.1	Very high	92.1	Very high	13 Å²	13	55.2 Å²	55.2	8%	0.079	33%	0.326	C	S	.	.	S	Bend	trans	-104.7	140.3	169.2	179.7	0	0	0	0	108.1	L206 L209 R210 Y231	L206-V228 HydrophobicContact CB-CG1 4.16Å; L206-V228 HydrophobicContact CB-CG2 4.36Å; L206-V228 HydrophobicContact CD1-CG1 4.35Å; L209-V228 HydrophobicContact CD2-CG2 4.19Å; L209-V228 HydrophobicContact CG-CG2 4.27Å; R210-V228 HydrophobicContact CB-CB 4.18Å; R210-V228 HydrophobicContact CB-CG2 3.89Å; R210-V228 HydrophobicContact CG-CB 4.46Å; V228-Y231 HydrophobicContact CG1-CE2 3.76Å
229	S	92	Very high	92	Very high	2 Å²	2	58 Å²	58	1%	0.014	34%	0.337	C	S	.	.			trans	-62.3	145.9	177.8	-68.6	0	0	0	0	111.6	W175 Y231 N277	W175-S229 WeakPolarHBondContact CH2-OG 3.31Å; W175-S229 WeakPolarHBondContact CZ3-OG 3.49Å; S229-Y231 WeakPolarHBondContact O-CD2 3.43Å; S229-Y231 WeakPolarHBondContact O-CE2 3.46Å; S229-N277 PolarHBondContact OG-OD1 3.23Å
230	P	91.8	Very high	91.9	Very high	66 Å²	66	53.3 Å²	53.3	43%	0.429	32%	0.316	S	S	.	.			trans	-66.8	134.3	167.8	29.5	-34.3	0	0	0	109.8	V58 F59	V58-P230 HydrophobicContact CG1-CG 3.58Å; F59-P230 HydrophobicContact CE1-CG 4.23Å; F59-P230 HydrophobicContact CZ-CG 4.38Å; F59-P230 WeakPolarHBondContact CZ-O 3.47Å
231	Y	93.6	Very high	91.9	Very high	34 Å²	34	46.6 Å²	46.6	13%	0.133	29%	0.291	C	S	.	.			trans	-116.3	163.4	176.8	-59.4	-63.2	0	0	0	110.6	H174 A201 G202 T205 V228 S229	H174-Y231 HydrophobicContact CB-CD1 4.05Å; H174-Y231 HydrophobicContact CB-CE1 4.43Å; H174-Y231 AromaticContact CD2-CE1 3.76Å; A201-Y231 HydrophobicContact CB-CD1 3.91Å; A201-Y231 HydrophobicContact CB-CE1 3.87Å; A201-Y231 HydrophobicContact CB-CG 4.4Å; G202-Y231 VanDerWaalsContact C-CB 3.43Å; G202-Y231 VanDerWaalsContact O-CB 3.26Å; G202-Y231 WeakPolarHBondContact O-CB 3.49Å; G202-Y231 WeakPolarHBondContact O-CD2 3.18Å; T205-Y231 HydrophobicContact CG2-CD2 4.42Å; T205-Y231 HydrophobicContact CG2-CE2 3.84Å; V228-Y231 HydrophobicContact CG1-CE2 3.76Å; S229-Y231 WeakPolarHBondContact O-CD2 3.43Å; S229-Y231 WeakPolarHBondContact O-CE2 3.46Å
232	T	91.6	Very high	91.9	Very high	35 Å²	35	45.7 Å²	45.7	22%	0.215	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-78.2	138.3	-179.5	-56.3	0	0	0	0	110.5	M200 G203 D236 L240	M200-T232 VanDerWaalsContact CE-CB 3.46Å; M200-T232 HydrophobicContact CE-CG2 4.26Å; M200-T232 WeakPolarHBondContact CE-OG1 3.09Å; G203-T232 PolarHBondContact N-O 3.38Å; T232-D236 HydrophobicContact CG2-CB 4.2Å; T232-L240 HydrophobicContact CG2-CD1 4.15Å
233	A	91.7	Very high	92	Very high	39 Å²	39	51.6 Å²	51.6	32%	0.322	30%	0.296	S	S	.	.			trans	-76.2	145.4	172.7	0	0	0	0	0	110.7	T235 D236	A233-T235 PolarHBondContact O-N 2.99Å; A233-T235 VanDerWaalsContact O-N 3.17Å; A233-D236 PolarHBondContact O-N 2.85Å; A233-D236 VanDerWaalsContact O-N 3.12Å
234	V	91	Very high	92.3	Very high	58 Å²	58	50.1 Å²	50.1	35%	0.352	28%	0.281	S	S	.	.	H	α-helix	trans	-56.1	-34.9	179	64.5	0	0	0	0	112.7	D236 L237 V251 V253 L316	V234-D236 PolarHBondContact O-N 2.69Å; V234-L237 WeakPolarHBondContact O-CB 3.19Å; V234-L237 PolarHBondContact O-N 2.6Å; V234-V251 HydrophobicContact CG2-CG1 3.98Å; V234-V253 HydrophobicContact CB-CG2 4.19Å; V234-V253 HydrophobicContact CG2-CG2 3.48Å; V234-V253 VanDerWaalsContact CG2-CG2 3.48Å; V234-L316 HydrophobicContact CB-CD2 3.97Å; V234-L316 HydrophobicContact CG2-CD2 4.17Å
235	T	89.6	Confident	92.6	Very high	106 Å²	106	53.3 Å²	53.3	65%	0.65	29%	0.289	S	S	*	.	H	α-helix	trans	-62.3	-25.4	-178.4	50.9	0	0	0	0	113.4	A233	A233-T235 PolarHBondContact O-N 2.99Å; A233-T235 VanDerWaalsContact O-N 3.17Å
236	D	90.9	Very high	92.8	Very high	80 Å²	80	53 Å²	53	43%	0.428	29%	0.286	S	S	.	.	H	α-helix	trans	-86.1	-22.4	-177.5	-61.6	-31.5	0	0	0	112.1	T232 A233 V234 G238 N239 L240	T232-D236 HydrophobicContact CG2-CB 4.2Å; A233-D236 PolarHBondContact O-N 2.85Å; A233-D236 VanDerWaalsContact O-N 3.12Å; V234-D236 PolarHBondContact O-N 2.69Å; D236-G238 PolarHBondContact O-N 3.49Å; D236-N239 WeakPolarHBondContact O-CB 3.48Å; D236-N239 PolarHBondContact O-N 2.78Å; D236-L240 HydrophobicContact CB-CD1 4.47Å; D236-L240 VanDerWaalsContact O-CG 3.3Å; D236-L240 WeakPolarHBondContact O-CG 3.34Å; D236-L240 PolarHBondContact O-N 2.85Å
237	L	92.1	Very high	93	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-41.5	-168.2	-166.9	57.7	0	0	0	113.2	V234 N239 L240 L241 V251 L316 M318	V234-L237 WeakPolarHBondContact O-CB 3.19Å; V234-L237 PolarHBondContact O-N 2.6Å; L237-N239 VanDerWaalsContact C-N 3.31Å; L237-N239 PolarHBondContact O-N 2.9Å; L237-L240 PolarHBondContact O-N 2.64Å; L237-L241 HydrophobicContact CG-CD1 4.27Å; L237-L241 WeakPolarHBondContact O-CG 3.34Å; L237-L241 PolarHBondContact O-N 3.49Å; L237-V251 HydrophobicContact CD2-CG1 3.89Å; L237-V251 HydrophobicContact CD2-CG2 4.22Å; L237-V251 HydrophobicContact CG-CG2 4.31Å; L237-L316 HydrophobicContact CD2-CB 4.05Å; L237-L316 HydrophobicContact CD2-CD1 4.36Å; L237-M318 HydrophobicContact CD1-CE 3.83Å; L237-M318 HydrophobicContact CD1-SD 3.78Å; L237-M318 HydrophobicContact CD2-CB 4.12Å; L237-M318 HydrophobicContact CD2-CE 3.63Å; L237-M318 HydrophobicContact CD2-SD 4.21Å; L237-M318 HydrophobicContact CG-CE 4.29Å; L237-M318 HydrophobicContact CG-SD 4.35Å
238	G	91.4	Very high	92.9	Very high	31 Å²	31	55.9 Å²	55.9	32%	0.32	30%	0.299	S	S	.	.	H	α-helix	trans	-60.9	-40.5	175.2	0	0	0	0	0	112.4	D236 G242	D236-G238 PolarHBondContact O-N 3.49Å; G238-G242 PolarHBondContact O-N 3.47Å
239	N	92.5	Very high	93	Very high	109 Å²	109	58.5 Å²	58.5	58%	0.583	31%	0.312	S	S	*	.	H	α-helix	trans	-66.8	-40.2	176.8	-70.2	-37.8	0	0	0	111.7	D236 L237 G242 R243	D236-N239 WeakPolarHBondContact O-CB 3.48Å; D236-N239 PolarHBondContact O-N 2.78Å; L237-N239 VanDerWaalsContact C-N 3.31Å; L237-N239 PolarHBondContact O-N 2.9Å; N239-G242 PolarHBondContact O-N 2.91Å; N239-R243 WeakPolarHBondContact O-CB 3.43Å; N239-R243 VanDerWaalsContact O-CG 3.3Å; N239-R243 WeakPolarHBondContact O-CG 3.43Å; N239-R243 PolarHBondContact O-N 3.41Å
240	L	94	Very high	93.2	Very high	24 Å²	24	61.4 Å²	61.4	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-47.7	177.3	-70.2	170.3	0	0	0	111.6	L179 P180 L183 T232 D236 L237 R243 A244	L179-L240 HydrophobicContact CD2-CD1 3.91Å; P180-L240 HydrophobicContact CB-CD2 4.4Å; P180-L240 HydrophobicContact CG-CD2 3.67Å; L183-L240 HydrophobicContact CD1-CB 3.83Å; T232-L240 HydrophobicContact CG2-CD1 4.15Å; D236-L240 HydrophobicContact CB-CD1 4.47Å; D236-L240 VanDerWaalsContact O-CG 3.3Å; D236-L240 WeakPolarHBondContact O-CG 3.34Å; D236-L240 PolarHBondContact O-N 2.85Å; L237-L240 PolarHBondContact O-N 2.64Å; L240-R243 PolarHBondContact O-N 2.91Å; L240-A244 PolarHBondContact O-N 2.81Å
241	L	95.2	Very high	93.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-42.1	177.3	-68.7	166.5	0	0	0	112	L183 F196 L237 R243 A244 R245 F246 L249 V251 M318	L183-L241 HydrophobicContact CD1-CD2 4.29Å; L183-L241 HydrophobicContact CD2-CD2 4.07Å; F196-L241 HydrophobicContact CD1-CD2 4.27Å; F196-L241 HydrophobicContact CE1-CD2 4.22Å; L237-L241 HydrophobicContact CG-CD1 4.27Å; L237-L241 WeakPolarHBondContact O-CG 3.34Å; L237-L241 PolarHBondContact O-N 3.49Å; L241-R243 PolarHBondContact O-N 2.61Å; L241-A244 CarbonylContact O-C 3.6Å; L241-A244 PolarHBondContact O-N 3.24Å; L241-R245 PolarHBondContact O-N 3.38Å; L241-F246 HydrophobicContact CD2-CD2 4.04Å; L241-F246 HydrophobicContact CD2-CE2 4.47Å; L241-F246 PolarHBondContact O-N 2.83Å; L241-L249 HydrophobicContact CB-CD1 3.87Å; L241-L249 HydrophobicContact CB-CD2 3.84Å; L241-L249 HydrophobicContact CB-CG 4.46Å; L241-L249 HydrophobicContact CD1-CD2 4.41Å; L241-V251 HydrophobicContact CD1-CG2 4.07Å; L241-M318 HydrophobicContact CD1-CB 3.94Å
242	G	94.1	Very high	93.4	Very high	41 Å²	41	61.6 Å²	61.6	42%	0.423	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-41.6	175.8	0	0	0	0	0	112.8	G238 N239 A244 R245	G238-G242 PolarHBondContact O-N 3.47Å; N239-G242 PolarHBondContact O-N 2.91Å; G242-A244 VanDerWaalsContact C-N 3.3Å; G242-A244 PolarHBondContact O-N 2.84Å; G242-R245 PolarHBondContact O-N 2.61Å
243	R	94.8	Very high	93.7	Very high	198 Å²	198	62.8 Å²	62.8	75%	0.747	34%	0.339	S	S	*	.	H	α-helix	trans	-63.9	-34.8	174.4	-76.3	178.1	-179.8	-170.7	2.2	112.6	N239 L240 L241 R245	N239-R243 WeakPolarHBondContact O-CB 3.43Å; N239-R243 VanDerWaalsContact O-CG 3.3Å; N239-R243 WeakPolarHBondContact O-CG 3.43Å; N239-R243 PolarHBondContact O-N 3.41Å; L240-R243 PolarHBondContact O-N 2.91Å; L241-R243 PolarHBondContact O-N 2.61Å; R243-R245 PolarHBondContact O-N 2.91Å
244	A	95.5	Very high	93.9	Very high	3 Å²	3	63.1 Å²	63.1	3%	0.025	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	3.5	173.9	0	0	0	0	0	113.9	L183 H187 L240 L241 G242 F246	L183-A244 HydrophobicContact CB-CB 3.53Å; H187-A244 PolarHBondContact CD2-O 3.21Å; L240-A244 PolarHBondContact O-N 2.81Å; L241-A244 CarbonylContact O-C 3.6Å; L241-A244 PolarHBondContact O-N 3.24Å; G242-A244 VanDerWaalsContact C-N 3.3Å; G242-A244 PolarHBondContact O-N 2.84Å; A244-F246 VanDerWaalsContact C-N 3.34Å; A244-F246 HydrophobicContact CB-CD2 3.82Å; A244-F246 HydrophobicContact CB-CE2 3.91Å; A244-F246 PolarHBondContact O-N 2.82Å
245	R	95.2	Very high	94.2	Very high	193 Å²	193	65 Å²	65	73%	0.728	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	22.5	175.6	-51.6	-178.4	177.1	-176.5	-1.3	115.5	H187 L241 G242 R243 P323	H187-R245 PolarHBondContact NE2-O 3.17Å; L241-R245 PolarHBondContact O-N 3.38Å; G242-R245 PolarHBondContact O-N 2.61Å; R243-R245 PolarHBondContact O-N 2.91Å; R245-P323 WeakPolarHBondContact O-CD 3.31Å
246	F	96.5	Very high	94.5	Very high	11 Å²	11	61 Å²	61	5%	0.048	32%	0.318	C	S	.	.			trans	-71.7	147.4	167.2	-69.4	-78.3	0	0	0	111	L183 I186 H187 L190 F196 L241 A244 L249 G320 W321	L183-F246 HydrophobicContact CB-CE2 4.36Å; L183-F246 WeakPolarHBondContact O-CE2 3.21Å; I186-F246 HydrophobicContact CB-CZ 4.36Å; I186-F246 HydrophobicContact CG2-CZ 3.96Å; H187-F246 HydrophobicContact CB-CE1 4.26Å; H187-F246 HydrophobicContact CB-CE2 4.01Å; H187-F246 HydrophobicContact CB-CZ 3.76Å; L190-F246 HydrophobicContact CD1-CE1 3.72Å; L190-F246 HydrophobicContact CD1-CZ 4.28Å; F196-F246 HydrophobicContact CB-CE1 3.7Å; F196-F246 HydrophobicContact CB-CZ 3.93Å; F196-F246 HydrophobicContact CD1-CE2 4.49Å; F196-F246 HydrophobicContact CD1-CZ 4.21Å; F196-F246 HydrophobicContact CG-CZ 4.31Å; L241-F246 HydrophobicContact CD2-CD2 4.04Å; L241-F246 HydrophobicContact CD2-CE2 4.47Å; L241-F246 PolarHBondContact O-N 2.83Å; A244-F246 VanDerWaalsContact C-N 3.34Å; A244-F246 HydrophobicContact CB-CD2 3.82Å; A244-F246 HydrophobicContact CB-CE2 3.91Å; A244-F246 PolarHBondContact O-N 2.82Å; F246-L249 HydrophobicContact CB-CD2 3.44Å; F246-L249 VanDerWaalsContact CB-CD2 3.44Å; F246-G320 VanDerWaalsContact CD1-C 3.47Å; F246-W321 CarbonylContact C-O 3.32Å; F246-W321 VanDerWaalsContact CA-O 3.3Å; F246-W321 WeakPolarHBondContact CA-O 3.37Å
247	N	93.8	Very high	94.8	Very high	47 Å²	47	61.8 Å²	61.8	25%	0.251	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	175.5	168.9	71	-8.6	0	0	0	110.9	L249 W321 P323 Q327	N247-L249 VanDerWaalsContact C-N 3.31Å; N247-L249 PolarHBondContact O-N 3.18Å; N247-W321 PolarHBondContact N-O 2.8Å; N247-W321 PolarHBondContact O-N 2.86Å; N247-W321 WeakPolarHBondContact OD1-CB 3.31Å; N247-W321 PolarHBondContact OD1-O 2.91Å; N247-P323 HydrophobicContact CB-CG 4.25Å; N247-Q327 PolarHBondContact ND2-OE1 3.03Å; N247-Q327 PolarHBondContact OD1-OE1 3.46Å
248	M	91.8	Very high	95	Very high	84 Å²	84	63 Å²	63	41%	0.414	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.9	54.9	-178	-64.4	-178.9	-72.3	0	0	111.5	W321 Q327	M248-W321 HydrophobicContact CB-CB 4.43Å; M248-W321 HydrophobicContact CB-CG 4.25Å; M248-W321 HydrophobicContact CE-CB 3.78Å; M248-W321 HydrophobicContact CE-CD2 4Å; M248-W321 HydrophobicContact CE-CE3 4.16Å; M248-W321 HydrophobicContact CE-CG 3.82Å; M248-Q327 HydrophobicContact CE-CB 3.89Å; M248-Q327 HydrophobicContact CE-CG 3.69Å
249	L	94.7	Very high	95.3	Very high	67 Å²	67	63.4 Å²	63.4	35%	0.351	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127	-174.5	-53.4	-177.7	0	0	0	110.1	L241 F246 N247 I319	L241-L249 HydrophobicContact CB-CD1 3.87Å; L241-L249 HydrophobicContact CB-CD2 3.84Å; L241-L249 HydrophobicContact CB-CG 4.46Å; L241-L249 HydrophobicContact CD1-CD2 4.41Å; F246-L249 HydrophobicContact CB-CD2 3.44Å; F246-L249 VanDerWaalsContact CB-CD2 3.44Å; N247-L249 VanDerWaalsContact C-N 3.31Å; N247-L249 PolarHBondContact O-N 3.18Å; L249-I319 WeakPolarHBondContact CA-O 3.42Å
250	T	95	Very high	95.5	Very high	63 Å²	63	58.7 Å²	58.7	39%	0.387	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.5	166.8	-54.8	0	0	0	0	107.9	D252 M318 I319	T250-D252 WeakPolarHBondContact CG2-OD1 3.21Å; T250-M318 CarbonylContact O-C 3.58Å; T250-M318 WeakPolarHBondContact O-CA 3.37Å; T250-I319 PolarHBondContact N-O 3.41Å; T250-I319 PolarHBondContact O-N 2.85Å
251	V	95.8	Very high	95.7	Very high	49 Å²	49	61.1 Å²	61.1	30%	0.297	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120.6	173.7	174.5	0	0	0	0	107.4	V234 L237 L241 Y317	V234-V251 HydrophobicContact CG2-CG1 3.98Å; L237-V251 HydrophobicContact CD2-CG1 3.89Å; L237-V251 HydrophobicContact CD2-CG2 4.22Å; L237-V251 HydrophobicContact CG-CG2 4.31Å; L241-V251 HydrophobicContact CD1-CG2 4.07Å; V251-Y317 VanDerWaalsContact CA-O 3.31Å; V251-Y317 WeakPolarHBondContact CA-O 3.33Å
252	D	95.5	Very high	95.7	Very high	56 Å²	56	61.8 Å²	61.8	30%	0.299	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	154.8	175.2	-45.8	-45	0	0	0	109.7	R94 T250 Y317	R94-D252 IonicContact CZ-OD2 2.79Å; R94-D252 IonicContact NE-OD2 3.2Å; R94-D252 PolarHBondContact NE-OD2 2.95Å; R94-D252 IonicContact NH2-OD2 3.86Å; R94-D252 PolarHBondContact NH2-OD2 3.36Å; T250-D252 WeakPolarHBondContact CG2-OD1 3.21Å; D252-Y317 PolarHBondContact N-O 3.4Å; D252-Y317 PolarHBondContact O-N 3.38Å
253	V	96.8	Very high	95.8	Very high	60 Å²	60	60.1 Å²	60.1	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.3	176	-175	0	0	0	0	108.1	V234 Q314 I315 L316	V234-V253 HydrophobicContact CB-CG2 4.19Å; V234-V253 HydrophobicContact CG2-CG2 3.48Å; V234-V253 VanDerWaalsContact CG2-CG2 3.48Å; V253-Q314 HydrophobicContact CG1-CG 3.63Å; V253-I315 WeakPolarHBondContact CA-O 3.49Å; V253-L316 HydrophobicContact CB-CD2 4.44Å; V253-L316 HydrophobicContact CG1-CD2 4.1Å; V253-L316 HydrophobicContact CG2-CD2 3.76Å
254	D	96.1	Very high	95.9	Very high	46 Å²	46	55.4 Å²	55.4	25%	0.246	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.9	169.3	-62.8	-17.3	0	0	0	109.7	R90 I315 Y317	R90-D254 IonicContact CZ-OD2 3.84Å; R90-D254 IonicContact NH1-OD2 3.9Å; R90-D254 PolarHBondContact NH1-OD2 2.96Å; D254-I315 PolarHBondContact N-O 3.31Å; D254-I315 PolarHBondContact O-N 2.93Å; D254-Y317 HydrophobicContact CB-CE2 3.94Å; D254-Y317 VanDerWaalsContact OD2-CE2 3.25Å; D254-Y317 WeakPolarHBondContact OD2-CE2 3.41Å
255	D	96.5	Very high	95.9	Very high	98 Å²	98	59.4 Å²	59.4	52%	0.524	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.7	169.7	-66.2	-30.5	0	0	0	110	T312 Q314	D255-T312 HydrophobicContact CB-CG2 4.17Å; D255-Q314 WeakPolarHBondContact OD1-CA 3.3Å; D255-Q314 WeakPolarHBondContact OD1-CB 3.38Å
256	V	96.9	Very high	96	Very high	20 Å²	20	50.2 Å²	50.2	12%	0.121	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.8	170.6	-179	0	0	0	0	107.7	L83 V258 F313 I315	L83-V256 HydrophobicContact CD1-CB 4.22Å; L83-V256 HydrophobicContact CD1-CG1 3.97Å; V256-V258 HydrophobicContact CG1-CG2 4.34Å; V256-F313 HydrophobicContact CB-CB 4.41Å; V256-F313 PolarHBondContact N-O 3.38Å; V256-F313 PolarHBondContact O-N 2.96Å; V256-I315 HydrophobicContact CG2-CG1 4.21Å
257	Q	96.8	Very high	96	Very high	97 Å²	97	52.7 Å²	52.7	45%	0.453	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128	178.2	-170.3	170.5	68.8	0	0	110.4	H259 P310 T312	Q257-H259 PolarHBondContact OE1-NE2 3.1Å; Q257-P310 HydrophobicContact CG-CB 3.91Å; Q257-T312 PolarHBondContact NE2-OG1 2.71Å
258	V	96.9	Very high	96.1	Very high	25 Å²	25	53.7 Å²	53.7	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.1	178	-175.3	0	0	0	0	108.8	Y82 V256 Y260 A311 F313	Y82-V258 HydrophobicContact CE2-CG1 4.15Å; Y82-V258 HydrophobicContact CE2-CG2 4.07Å; V256-V258 HydrophobicContact CG1-CG2 4.34Å; V258-Y260 HydrophobicContact CB-CE2 3.69Å; V258-Y260 HydrophobicContact CG1-CD2 4.25Å; V258-Y260 HydrophobicContact CG1-CE1 4.43Å; V258-Y260 HydrophobicContact CG1-CE2 3.51Å; V258-Y260 WeakPolarHBondContact O-CD2 3.4Å; V258-A311 PolarHBondContact N-O 3.11Å; V258-A311 PolarHBondContact O-N 3.46Å; V258-F313 HydrophobicContact CB-CE2 4.2Å; V258-F313 HydrophobicContact CG2-CD2 4.12Å; V258-F313 HydrophobicContact CG2-CE2 3.94Å
259	H	97.1	Very high	96.3	Very high	41 Å²	41	50.3 Å²	50.3	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.3	-176.1	-65.8	-107	0	0	0	110.5	Q257 N304	Q257-H259 PolarHBondContact OE1-NE2 3.1Å; H259-N304 PolarHBondContact CE1-ND2 3.22Å; H259-N304 PolarHBondContact ND1-ND2 3.29Å
260	Y	97.6	Very high	96.3	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	150.7	-177.5	-65.6	-94.5	0	0	0	111.3	Y82 V258 G262 E265 L266 D269 S308 V309 A311	Y82-Y260 PolarHBondContact OH-OH 2.84Å; V258-Y260 HydrophobicContact CB-CE2 3.69Å; V258-Y260 HydrophobicContact CG1-CD2 4.25Å; V258-Y260 HydrophobicContact CG1-CE1 4.43Å; V258-Y260 HydrophobicContact CG1-CE2 3.51Å; V258-Y260 WeakPolarHBondContact O-CD2 3.4Å; Y260-G262 PolarHBondContact O-N 3.39Å; Y260-E265 HydrophobicContact CD1-CB 4.27Å; Y260-L266 HydrophobicContact CD1-CB 3.99Å; Y260-L266 HydrophobicContact CD2-CB 4.05Å; Y260-L266 HydrophobicContact CD2-CD1 4.01Å; Y260-L266 HydrophobicContact CD2-CG 4.48Å; Y260-L266 HydrophobicContact CE1-CB 4.24Å; Y260-L266 HydrophobicContact CE1-CD1 4.18Å; Y260-L266 HydrophobicContact CE2-CB 4.33Å; Y260-L266 HydrophobicContact CE2-CD1 3.5Å; Y260-L266 VanDerWaalsContact CE2-CD1 3.5Å; Y260-L266 HydrophobicContact CE2-CG 4.42Å; Y260-L266 HydrophobicContact CG-CB 3.85Å; Y260-D269 HydrophobicContact CE1-CB 3.83Å; Y260-D269 WeakPolarHBondContact CE1-OD2 3.48Å; Y260-S308 CarbonylContact O-C 3.56Å; Y260-S308 WeakPolarHBondContact O-CA 3.35Å; Y260-S308 WeakPolarHBondContact O-CB 3.49Å; Y260-V309 PolarHBondContact N-O 3.46Å; Y260-V309 PolarHBondContact O-N 2.57Å; Y260-A311 HydrophobicContact CD2-CB 3.97Å; Y260-A311 HydrophobicContact CE2-CB 3.64Å
261	P	97.2	Very high	96.3	Very high	74 Å²	74	49.2 Å²	49.2	48%	0.481	26%	0.264	S	S	.	.	S	Bend	trans	-58.9	-28.8	171.1	-25.1	35.2	0	0	0	113.5	E265	P261-E265 HydrophobicContact CB-CG 4.22Å; P261-E265 HydrophobicContact CG-CG 4.16Å
262	G	96.3	Very high	96.3	Very high	15 Å²	15	47 Å²	47	16%	0.155	25%	0.252	C	S	.	.	S	Bend	trans	-175.1	179.2	-179.5	0	0	0	0	0	113	Y260 M264 E265 L266	Y260-G262 PolarHBondContact O-N 3.39Å; G262-M264 VanDerWaalsContact C-N 3.25Å; G262-M264 PolarHBondContact O-N 3.39Å; G262-E265 VanDerWaalsContact C-OE2 3.29Å; G262-E265 VanDerWaalsContact CA-OE2 3.27Å; G262-E265 WeakPolarHBondContact CA-OE2 3.47Å; G262-E265 PolarHBondContact N-OE2 3.08Å; G262-E265 PolarHBondContact O-N 2.92Å; G262-L266 PolarHBondContact O-N 2.87Å
263	I	96.3	Very high	96.2	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-32.2	-178.9	-167.4	175	0	0	0	112.6	L209 L213 L266 M267 M291 A294 A295 Y298	L209-I263 HydrophobicContact CD1-CD1 3.62Å; L209-I263 HydrophobicContact CD1-CG1 3.53Å; L213-I263 HydrophobicContact CD2-CD1 4.3Å; L213-I263 HydrophobicContact CG-CD1 4.45Å; I263-L266 PolarHBondContact O-N 3.31Å; I263-M267 HydrophobicContact CG1-CG 4.43Å; I263-M267 HydrophobicContact CG1-SD 4.25Å; I263-M267 WeakPolarHBondContact O-CB 3.38Å; I263-M267 VanDerWaalsContact O-CG 3.31Å; I263-M267 WeakPolarHBondContact O-CG 3.26Å; I263-M267 PolarHBondContact O-N 3.24Å; I263-M291 HydrophobicContact CD1-SD 4.19Å; I263-M291 HydrophobicContact CG2-SD 4.21Å; I263-A294 HydrophobicContact CD1-CB 3.85Å; I263-A295 HydrophobicContact CG2-CB 3.52Å; I263-Y298 HydrophobicContact CB-CD1 4.02Å; I263-Y298 HydrophobicContact CD1-CD1 4.03Å; I263-Y298 HydrophobicContact CG1-CD1 3.91Å; I263-Y298 HydrophobicContact CG1-CE1 4.33Å
264	M	95.8	Very high	96.1	Very high	99 Å²	99	41.8 Å²	41.8	49%	0.488	22%	0.221	S	C	.	.	H	α-helix	trans	-70.8	-41.7	-175.5	-64.3	-57.1	-67.1	0	0	111.2	G262 M267 T268 M291	G262-M264 VanDerWaalsContact C-N 3.25Å; G262-M264 PolarHBondContact O-N 3.39Å; M264-M267 PolarHBondContact O-N 2.72Å; M264-T268 WeakPolarHBondContact O-CB 3.45Å; M264-T268 PolarHBondContact O-N 3Å; M264-T268 PolarHBondContact O-OG1 3.32Å; M264-M291 HydrophobicContact SD-CG 3.58Å; M264-M291 VanDerWaalsContact SD-CG 3.58Å; M264-M291 HydrophobicContact SD-SD 3.63Å; M264-M291 VanDerWaalsContact SD-SD 3.63Å
265	E	96.6	Very high	96.1	Very high	87 Å²	87	40 Å²	40	41%	0.407	21%	0.212	S	C	.	.	H	α-helix	trans	-64.2	-45.9	175.9	-65.7	70.6	-156	0	0	110.1	Y260 P261 G262 M267 T268 D269	Y260-E265 HydrophobicContact CD1-CB 4.27Å; P261-E265 HydrophobicContact CB-CG 4.22Å; P261-E265 HydrophobicContact CG-CG 4.16Å; G262-E265 VanDerWaalsContact C-OE2 3.29Å; G262-E265 VanDerWaalsContact CA-OE2 3.27Å; G262-E265 WeakPolarHBondContact CA-OE2 3.47Å; G262-E265 PolarHBondContact N-OE2 3.08Å; G262-E265 PolarHBondContact O-N 2.92Å; E265-M267 PolarHBondContact O-N 3.49Å; E265-T268 WeakPolarHBondContact O-CB 3.36Å; E265-T268 PolarHBondContact O-N 2.99Å; E265-D269 PolarHBondContact O-N 3.32Å
266	L	96.8	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-49.5	173.9	169.5	60.5	0	0	0	111.9	L206 L209 Y260 G262 I263 T268 D269 L270 Y298 A311	L206-L266 HydrophobicContact CD2-CD1 4.16Å; L209-L266 HydrophobicContact CB-CD2 4.1Å; L209-L266 HydrophobicContact CD1-CD2 4.24Å; L209-L266 HydrophobicContact CD2-CD2 3.99Å; L209-L266 HydrophobicContact CD2-CG 4.41Å; L209-L266 HydrophobicContact CG-CD2 4.34Å; Y260-L266 HydrophobicContact CD1-CB 3.99Å; Y260-L266 HydrophobicContact CD2-CB 4.05Å; Y260-L266 HydrophobicContact CD2-CD1 4.01Å; Y260-L266 HydrophobicContact CD2-CG 4.48Å; Y260-L266 HydrophobicContact CE1-CB 4.24Å; Y260-L266 HydrophobicContact CE1-CD1 4.18Å; Y260-L266 HydrophobicContact CE2-CB 4.33Å; Y260-L266 HydrophobicContact CE2-CD1 3.5Å; Y260-L266 VanDerWaalsContact CE2-CD1 3.5Å; Y260-L266 HydrophobicContact CE2-CG 4.42Å; Y260-L266 HydrophobicContact CG-CB 3.85Å; G262-L266 PolarHBondContact O-N 2.87Å; I263-L266 PolarHBondContact O-N 3.31Å; L266-T268 VanDerWaalsContact C-N 3.28Å; L266-T268 PolarHBondContact O-N 2.77Å; L266-D269 PolarHBondContact O-N 3.47Å; L266-L270 HydrophobicContact CD1-CD1 3.97Å; L266-L270 HydrophobicContact CD1-CG 3.99Å; L266-L270 HydrophobicContact CG-CD1 4.11Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 3.08Å; L266-Y298 HydrophobicContact CD2-CE1 3.85Å; L266-A311 HydrophobicContact CD1-CB 3.68Å; L266-A311 HydrophobicContact CD2-CB 3.85Å; L266-A311 HydrophobicContact CG-CB 4.41Å
267	M	95.4	Very high	95.8	Very high	64 Å²	64	37 Å²	37	32%	0.315	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-34.6	179.9	-73.3	-177	67	0	0	112.6	L209 I263 M264 E265 Q271 L286 M291	L209-M267 HydrophobicContact CD1-CG 4.49Å; I263-M267 HydrophobicContact CG1-CG 4.43Å; I263-M267 HydrophobicContact CG1-SD 4.25Å; I263-M267 WeakPolarHBondContact O-CB 3.38Å; I263-M267 VanDerWaalsContact O-CG 3.31Å; I263-M267 WeakPolarHBondContact O-CG 3.26Å; I263-M267 PolarHBondContact O-N 3.24Å; M264-M267 PolarHBondContact O-N 2.72Å; E265-M267 PolarHBondContact O-N 3.49Å; M267-Q271 WeakPolarHBondContact O-CB 3.25Å; M267-Q271 PolarHBondContact O-N 3.2Å; M267-L286 HydrophobicContact CE-CD2 4.47Å; M267-M291 HydrophobicContact CE-CE 3.8Å; M267-M291 HydrophobicContact SD-CE 3.51Å; M267-M291 VanDerWaalsContact SD-CE 3.51Å; M267-M291 HydrophobicContact SD-SD 3.84Å
268	T	95.5	Very high	95.6	Very high	67 Å²	67	32.4 Å²	32.4	41%	0.411	18%	0.176	S	C	.	.	H	α-helix	trans	-65.7	-44.6	174.9	-58.3	0	0	0	0	110.7	M264 E265 L266 Q271 G272	M264-T268 WeakPolarHBondContact O-CB 3.45Å; M264-T268 PolarHBondContact O-N 3Å; M264-T268 PolarHBondContact O-OG1 3.32Å; E265-T268 WeakPolarHBondContact O-CB 3.36Å; E265-T268 PolarHBondContact O-N 2.99Å; L266-T268 VanDerWaalsContact C-N 3.28Å; L266-T268 PolarHBondContact O-N 2.77Å; T268-Q271 WeakPolarHBondContact O-CB 3.24Å; T268-Q271 PolarHBondContact O-N 2.88Å; T268-G272 PolarHBondContact O-N 3.33Å
269	D	96.3	Very high	95.4	Very high	13 Å²	13	31.3 Å²	31.3	7%	0.07	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-44.9	176.3	-91.5	29.2	0	0	0	111.5	Y80 Y82 Y260 E265 L266 Q271 G272 M273	Y80-D269 HydrophobicContact CD1-CB 4.29Å; Y80-D269 WeakPolarHBondContact CD1-OD1 3.31Å; Y80-D269 VanDerWaalsContact CE1-OD1 3.27Å; Y80-D269 WeakPolarHBondContact CE1-OD1 3.39Å; Y82-D269 WeakPolarHBondContact CE1-OD2 3.47Å; Y82-D269 PolarHBondContact OH-OD2 3.39Å; Y260-D269 HydrophobicContact CE1-CB 3.83Å; Y260-D269 WeakPolarHBondContact CE1-OD2 3.48Å; E265-D269 PolarHBondContact O-N 3.32Å; L266-D269 PolarHBondContact O-N 3.47Å; D269-Q271 PolarHBondContact O-N 3.47Å; D269-G272 CarbonylContact O-C 3.58Å; D269-G272 PolarHBondContact O-N 2.8Å; D269-G272 VanDerWaalsContact O-N 3.11Å; D269-M273 HydrophobicContact CB-CE 4.41Å; D269-M273 WeakPolarHBondContact O-CB 3.4Å; D269-M273 WeakPolarHBondContact O-CG 3.31Å; D269-M273 PolarHBondContact O-N 3.02Å
270	L	95.8	Very high	95.2	Very high	14 Å²	14	36 Å²	36	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-37.5	174.6	-70.4	172.8	0	0	0	112	L206 L209 L266 M273 G274 E275 S276 F313	L206-L270 HydrophobicContact CD1-CD1 3.71Å; L206-L270 HydrophobicContact CD1-CD2 3.83Å; L206-L270 HydrophobicContact CD1-CG 4.45Å; L206-L270 HydrophobicContact CD2-CD1 4.34Å; L206-L270 HydrophobicContact CD2-CD2 4.47Å; L209-L270 HydrophobicContact CD2-CD1 3.74Å; L266-L270 HydrophobicContact CD1-CD1 3.97Å; L266-L270 HydrophobicContact CD1-CG 3.99Å; L266-L270 HydrophobicContact CG-CD1 4.11Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 3.08Å; L270-M273 HydrophobicContact CD2-SD 4.48Å; L270-G274 PolarHBondContact O-N 3.36Å; L270-E275 HydrophobicContact CD2-CB 4.39Å; L270-E275 PolarHBondContact O-N 3.21Å; L270-S276 PolarHBondContact O-N 3.11Å; L270-F313 HydrophobicContact CD2-CE1 3.95Å; L270-F313 HydrophobicContact CD2-CZ 4.17Å
271	Q	94.8	Very high	94.8	Very high	93 Å²	93	40.9 Å²	40.9	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-66.2	-48.8	173.2	-163.4	-173.2	2.3	0	0	111	W70 M267 T268 D269 M273 G274 S276	W70-Q271 HydrophobicContact CE3-CG 4.35Å; W70-Q271 HydrophobicContact CH2-CB 4.49Å; W70-Q271 HydrophobicContact CH2-CG 3.75Å; W70-Q271 HydrophobicContact CZ3-CB 4.33Å; W70-Q271 HydrophobicContact CZ3-CG 3.62Å; W70-Q271 WeakPolarHBondContact CZ3-O 3.38Å; M267-Q271 WeakPolarHBondContact O-CB 3.25Å; M267-Q271 PolarHBondContact O-N 3.2Å; T268-Q271 WeakPolarHBondContact O-CB 3.24Å; T268-Q271 PolarHBondContact O-N 2.88Å; D269-Q271 PolarHBondContact O-N 3.47Å; Q271-M273 VanDerWaalsContact C-N 3.28Å; Q271-M273 PolarHBondContact O-N 2.76Å; Q271-G274 WeakPolarHBondContact O-CA 3.3Å; Q271-G274 PolarHBondContact O-N 2.98Å; Q271-S276 WeakPolarHBondContact CA-OG 3.4Å
272	G	95.5	Very high	94.4	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-36.8	177.8	0	0	0	0	0	113.4	A71 T268 D269 G274	A71-G272 VanDerWaalsContact CB-O 3.31Å; A71-G272 WeakPolarHBondContact CB-O 3.48Å; T268-G272 PolarHBondContact O-N 3.33Å; D269-G272 CarbonylContact O-C 3.58Å; D269-G272 PolarHBondContact O-N 2.8Å; D269-G272 VanDerWaalsContact O-N 3.11Å; G272-G274 PolarHBondContact O-N 3.18Å
273	M	94.3	Very high	93.9	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.025	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18	170.8	-71.2	173.2	-171.5	0	0	112.6	Y80 Y82 L83 R84 D269 L270 Q271 E275	Y80-M273 WeakPolarHBondContact O-CG 3.38Å; Y82-M273 HydrophobicContact CD1-CE 4.42Å; Y82-M273 HydrophobicContact CD2-CE 4.43Å; Y82-M273 HydrophobicContact CE1-CE 3.61Å; Y82-M273 HydrophobicContact CE2-CE 3.57Å; Y82-M273 WeakPolarHBondContact OH-CE 3.38Å; L83-M273 HydrophobicContact CB-CE 4.25Å; L83-M273 HydrophobicContact CD2-SD 4.48Å; R84-M273 PolarHBondContact NH1-O 3.18Å; R84-M273 PolarHBondContact NH2-O 3.13Å; D269-M273 HydrophobicContact CB-CE 4.41Å; D269-M273 WeakPolarHBondContact O-CB 3.4Å; D269-M273 WeakPolarHBondContact O-CG 3.31Å; D269-M273 PolarHBondContact O-N 3.02Å; L270-M273 HydrophobicContact CD2-SD 4.48Å; Q271-M273 VanDerWaalsContact C-N 3.28Å; Q271-M273 PolarHBondContact O-N 2.76Å; M273-E275 VanDerWaalsContact C-N 3.26Å; M273-E275 HydrophobicContact CB-CB 4.19Å; M273-E275 HydrophobicContact CB-CG 3.93Å; M273-E275 PolarHBondContact O-N 3.41Å
274	G	94.4	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	17.5	-169.1	0	0	0	0	0	113.3	K64 L270 Q271 G272	K64-G274 PolarHBondContact NZ-O 3.46Å; L270-G274 PolarHBondContact O-N 3.36Å; Q271-G274 WeakPolarHBondContact O-CA 3.3Å; Q271-G274 PolarHBondContact O-N 2.98Å; G272-G274 PolarHBondContact O-N 3.18Å
275	E	94.9	Very high	92.7	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.047	25%	0.253	C	S	.	.			trans	-94.8	14.1	-179	-67.7	-61.2	119.2	0	0	113.5	K64 R84 F171 H174 W175 L270 M273	K64-E275 IonicContact NZ-OE1 3.4Å; K64-E275 PolarHBondContact NZ-OE1 2.99Å; K64-E275 IonicContact NZ-OE2 3.4Å; R84-E275 IonicContact CZ-OE1 2.61Å; R84-E275 VanDerWaalsContact NH2-CG 3.34Å; R84-E275 IonicContact NH2-OE1 3.83Å; R84-E275 PolarHBondContact NH2-OE1 3.38Å; F171-E275 HydrophobicContact CE1-CG 3.9Å; H174-E275 IonicContact CD2-OE2 3.56Å; H174-E275 IonicContact CE1-OE2 2.85Å; H174-E275 IonicContact NE2-OE2 3.99Å; H174-E275 PolarHBondContact NE2-OE2 3.06Å; W175-E275 VanDerWaalsContact CE2-OE2 3.28Å; W175-E275 VanDerWaalsContact CZ2-OE2 3.25Å; W175-E275 WeakPolarHBondContact CZ2-OE2 3.38Å; W175-E275 PolarHBondContact NE1-OE1 2.96Å; W175-E275 PolarHBondContact NE1-OE2 2.82Å; L270-E275 HydrophobicContact CD2-CB 4.39Å; L270-E275 PolarHBondContact O-N 3.21Å; M273-E275 VanDerWaalsContact C-N 3.26Å; M273-E275 HydrophobicContact CB-CB 4.19Å; M273-E275 HydrophobicContact CB-CG 3.93Å; M273-E275 PolarHBondContact O-N 3.41Å
276	S	93.9	Very high	92.3	Very high	35 Å²	35	49 Å²	49	25%	0.245	25%	0.246	C	C	.	.	S	Bend	trans	-58.6	147.2	171.8	-56.2	0	0	0	0	112.2	Q67 L270 Q271 C278	Q67-S276 PolarHBondContact NE2-O 3.5Å; Q67-S276 PolarHBondContact OE1-O 2.95Å; L270-S276 PolarHBondContact O-N 3.11Å; Q271-S276 WeakPolarHBondContact CA-OG 3.4Å; S276-C278 PolarHBondContact O-N 3.32Å
277	N	93.7	Very high	92	Very high	20 Å²	20	53.1 Å²	53.1	11%	0.107	27%	0.265	C	S	.	.			trans	-54.1	130.9	179	-179.6	0.3	0	0	0	113	Q67 P226 H227 S229 A279 R282	Q67-N277 PolarHBondContact NE2-O 3.45Å; P226-N277 PolarHBondContact O-ND2 3.18Å; H227-N277 WeakPolarHBondContact O-CB 3.24Å; H227-N277 PolarHBondContact O-ND2 3.22Å; H227-N277 VanDerWaalsContact O-ND2 3.1Å; S229-N277 PolarHBondContact OG-OD1 3.23Å; N277-A279 VanDerWaalsContact OD1-CB 3.3Å; N277-A279 WeakPolarHBondContact OD1-CB 3.45Å; N277-A279 PolarHBondContact OD1-N 2.79Å; N277-R282 VanDerWaalsContact O-CD 3.31Å; N277-R282 WeakPolarHBondContact O-CD 3.49Å; N277-R282 PolarHBondContact O-NE 3.36Å
278	C	92.9	Very high	92	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.286	C	S	.	.			trans	-124.9	13.7	177.3	77.5	0	0	0	0	113.6	N60 M63 K64 W175 S276	N60-C278 WeakPolarHBondContact CB-O 3.21Å; N60-C278 PolarHBondContact N-O 2.99Å; M63-C278 HydrophobicContact CB-CB 4.29Å; M63-C278 HydrophobicContact CG-CB 4.11Å; K64-C278 HydrophobicContact CB-CB 4.46Å; W175-C278 HydrophobicContact CZ3-CB 4.23Å; W175-C278 WeakPolarHBondContact CZ3-SG 3.29Å; S276-C278 PolarHBondContact O-N 3.32Å
279	A	93.1	Very high	92	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.008	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-62	144.3	175.5	0	0	0	0	0	111.9	V58 N277 N281 R282	V58-A279 CarbonylContact O-C 3.57Å; V58-A279 VanDerWaalsContact O-CA 3.3Å; V58-A279 WeakPolarHBondContact O-CA 3.37Å; N277-A279 VanDerWaalsContact OD1-CB 3.3Å; N277-A279 WeakPolarHBondContact OD1-CB 3.45Å; N277-A279 PolarHBondContact OD1-N 2.79Å; A279-N281 VanDerWaalsContact C-N 3.33Å; A279-N281 WeakPolarHBondContact CB-OD1 3.45Å; A279-N281 PolarHBondContact O-N 3.48Å; A279-R282 WeakPolarHBondContact O-CB 3.1Å; A279-R282 VanDerWaalsContact O-CD 3.27Å; A279-R282 WeakPolarHBondContact O-CD 3.25Å; A279-R282 WeakPolarHBondContact O-CG 3.5Å; A279-R282 PolarHBondContact O-N 3.23Å
280	W	91.5	Very high	91.9	Very high	141 Å²	141	61.2 Å²	61.2	53%	0.534	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-34.8	-179.2	-76.3	110.8	0	0	0	113.7	N57 V58 F59 N60 R282	N57-W280 PolarHBondContact OD1-NE1 2.88Å; V58-W280 PolarHBondContact O-N 3.3Å; F59-W280 PolarHBondContact O-NE1 3.19Å; N60-W280 HydrophobicContact CB-CD2 3.96Å; N60-W280 HydrophobicContact CB-CE3 4.19Å; N60-W280 HydrophobicContact CB-CH2 3.98Å; N60-W280 HydrophobicContact CB-CZ2 3.71Å; N60-W280 HydrophobicContact CB-CZ3 4.21Å; N60-W280 VanDerWaalsContact CG-CH2 3.5Å; N60-W280 WeakPolarHBondContact ND2-CH2 3.42Å; N60-W280 WeakPolarHBondContact ND2-CZ3 3.44Å; W280-R282 PolarHBondContact O-N 2.93Å
281	N	89.9	Confident	91.9	Very high	112 Å²	112	61.6 Å²	61.6	60%	0.599	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	7.9	-179.6	64.6	-11.5	0	0	0	113.7	P226 A279	P226-N281 HydrophobicContact CG-CB 4.5Å; P226-N281 WeakPolarHBondContact CG-OD1 3.47Å; A279-N281 VanDerWaalsContact C-N 3.33Å; A279-N281 WeakPolarHBondContact CB-OD1 3.45Å; A279-N281 PolarHBondContact O-N 3.48Å
282	R	88.1	Confident	92	Very high	69 Å²	69	62 Å²	62	26%	0.26	30%	0.299	S	S	.	.	S	Bend	trans	-72.4	150.2	176	80.7	-171.1	176.4	82.4	-1.8	111	N277 A279 W280	N277-R282 VanDerWaalsContact O-CD 3.31Å; N277-R282 WeakPolarHBondContact O-CD 3.49Å; N277-R282 PolarHBondContact O-NE 3.36Å; A279-R282 WeakPolarHBondContact O-CB 3.1Å; A279-R282 VanDerWaalsContact O-CD 3.27Å; A279-R282 WeakPolarHBondContact O-CD 3.25Å; A279-R282 WeakPolarHBondContact O-CG 3.5Å; A279-R282 PolarHBondContact O-N 3.23Å; W280-R282 PolarHBondContact O-N 2.93Å
283	R	86.4	Confident	92.1	Very high	94 Å²	94	62.4 Å²	62.4	36%	0.355	30%	0.301	S	S	.	.			trans	-79.5	140.7	166.4	-164	174.3	177.5	168.1	-11.1	109.9	E221 M285 H287	E221-R283 IonicContact OE2-CZ 2.82Å; E221-R283 IonicContact OE2-NH1 3.81Å; E221-R283 PolarHBondContact OE2-NH1 2.94Å; E221-R283 IonicContact OE2-NH2 3.33Å; R283-M285 VanDerWaalsContact C-N 3.34Å; R283-M285 VanDerWaalsContact CD-O 3.3Å; R283-M285 WeakPolarHBondContact CD-O 3.4Å; R283-M285 WeakPolarHBondContact CG-O 3.48Å; R283-H287 PolarHBondContact NH2-CE1 3.39Å; R283-H287 PolarHBondContact NH2-NE2 3.42Å
284	S	80.4	Confident	92.2	Very high	102 Å²	102	62.2 Å²	62.2	71%	0.713	30%	0.3	S	S	*	.	S	Bend	trans	-76.4	-21.8	-179.4	-50.6	0	0	0	0	113.8
285	M	85.7	Confident	92.4	Very high	137 Å²	137	63.9 Å²	63.9	68%	0.675	31%	0.314	S	S	*	.			trans	-131.5	142.4	-176.4	-63.4	-173.8	-66.8	0	0	110.2	R283	R283-M285 VanDerWaalsContact C-N 3.34Å; R283-M285 VanDerWaalsContact CD-O 3.3Å; R283-M285 WeakPolarHBondContact CD-O 3.4Å; R283-M285 WeakPolarHBondContact CG-O 3.48Å
286	L	88.1	Confident	92.5	Very high	47 Å²	47	66.4 Å²	66.4	25%	0.246	34%	0.337	C	S	.	.			trans	-115	124.8	173.7	-174.7	47.3	0	0	0	108.4	L213 M267 T290 M291	L213-L286 HydrophobicContact CD2-CD2 3.68Å; M267-L286 HydrophobicContact CE-CD2 4.47Å; L286-T290 HydrophobicContact CD1-CG2 3.65Å; L286-M291 HydrophobicContact CB-CE 4.48Å; L286-M291 HydrophobicContact CD2-CE 3.06Å; L286-M291 HydrophobicContact CG-CE 3.66Å
287	H	92.5	Very high	92.7	Very high	88 Å²	88	66 Å²	66	41%	0.407	33%	0.333	S	S	.	.			trans	-68.5	145.5	-175.8	-74.6	-157	0	0	0	110.5	E221 R283 D289 T290 M291	E221-H287 IonicContact OE1-CG 2.86Å; R283-H287 PolarHBondContact NH2-CE1 3.39Å; R283-H287 PolarHBondContact NH2-NE2 3.42Å; H287-D289 VanDerWaalsContact C-N 3.3Å; H287-D289 PolarHBondContact O-N 3.23Å; H287-T290 WeakPolarHBondContact O-CB 3.35Å; H287-T290 PolarHBondContact O-N 3.46Å; H287-M291 PolarHBondContact O-N 2.75Å
288	R	93.6	Very high	92.9	Very high	199 Å²	199	65.1 Å²	65.1	75%	0.751	33%	0.328	S	S	*	.	H	α-helix	trans	-58.9	-42.5	-178.5	-175	-179.2	-179.3	-171.6	-0.6	111.9	T290 M291 L292	R288-T290 VanDerWaalsContact C-N 3.33Å; R288-T290 PolarHBondContact O-N 2.89Å; R288-M291 WeakPolarHBondContact O-CB 3.47Å; R288-M291 PolarHBondContact O-N 2.71Å; R288-L292 HydrophobicContact CG-CD1 4.28Å; R288-L292 WeakPolarHBondContact O-CG 3.31Å; R288-L292 PolarHBondContact O-N 2.92Å
289	D	95.4	Very high	93.1	Very high	112 Å²	112	71.2 Å²	71.2	60%	0.599	35%	0.354	S	S	*	.	H	α-helix	trans	-65.2	-40.5	-179.2	-59.9	-15.9	0	0	0	111.1	H287 L292 A293	H287-D289 VanDerWaalsContact C-N 3.3Å; H287-D289 PolarHBondContact O-N 3.23Å; D289-L292 PolarHBondContact O-N 2.83Å; D289-A293 WeakPolarHBondContact O-CB 3.27Å; D289-A293 PolarHBondContact O-N 2.94Å
290	T	95.4	Very high	93.3	Very high	2 Å²	2	79.1 Å²	79.1	1%	0.012	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-40.1	173.3	-53.4	0	0	0	0	111.8	A216 Q217 E221 L286 H287 R288 A293 A294	A216-T290 HydrophobicContact CB-CG2 4.41Å; Q217-T290 HydrophobicContact CB-CG2 3.78Å; Q217-T290 HydrophobicContact CG-CG2 4.02Å; E221-T290 PolarHBondContact OE1-OG1 3.15Å; L286-T290 HydrophobicContact CD1-CG2 3.65Å; H287-T290 WeakPolarHBondContact O-CB 3.35Å; H287-T290 PolarHBondContact O-N 3.46Å; R288-T290 VanDerWaalsContact C-N 3.33Å; R288-T290 PolarHBondContact O-N 2.89Å; T290-A293 PolarHBondContact O-N 3.26Å; T290-A294 VanDerWaalsContact O-CB 3.27Å; T290-A294 WeakPolarHBondContact O-CB 3.45Å; T290-A294 PolarHBondContact O-N 2.9Å
291	M	95.4	Very high	93.5	Very high	23 Å²	23	76.3 Å²	76.3	11%	0.113	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-45.4	175.8	-175.4	53.1	56.8	0	0	112.2	L213 I263 M264 M267 L286 H287 R288 A294 A295	L213-M291 HydrophobicContact CD2-CE 4.42Å; I263-M291 HydrophobicContact CD1-SD 4.19Å; I263-M291 HydrophobicContact CG2-SD 4.21Å; M264-M291 HydrophobicContact SD-CG 3.58Å; M264-M291 VanDerWaalsContact SD-CG 3.58Å; M264-M291 HydrophobicContact SD-SD 3.63Å; M264-M291 VanDerWaalsContact SD-SD 3.63Å; M267-M291 HydrophobicContact CE-CE 3.8Å; M267-M291 HydrophobicContact SD-CE 3.51Å; M267-M291 VanDerWaalsContact SD-CE 3.51Å; M267-M291 HydrophobicContact SD-SD 3.84Å; L286-M291 HydrophobicContact CB-CE 4.48Å; L286-M291 HydrophobicContact CD2-CE 3.06Å; L286-M291 HydrophobicContact CG-CE 3.66Å; H287-M291 PolarHBondContact O-N 2.75Å; R288-M291 WeakPolarHBondContact O-CB 3.47Å; R288-M291 PolarHBondContact O-N 2.71Å; M291-A294 PolarHBondContact O-N 3.48Å; M291-A295 PolarHBondContact O-N 3.13Å
292	L	96.8	Very high	93.9	Very high	102 Å²	102	73.6 Å²	73.6	53%	0.534	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-41	178.6	-68.5	173.9	0	0	0	111.6	R288 D289 A295 A296	R288-L292 HydrophobicContact CG-CD1 4.28Å; R288-L292 WeakPolarHBondContact O-CG 3.31Å; R288-L292 PolarHBondContact O-N 2.92Å; D289-L292 PolarHBondContact O-N 2.83Å; L292-A295 PolarHBondContact O-N 2.99Å; L292-A296 PolarHBondContact O-N 2.85Å; L292-A296 VanDerWaalsContact O-N 3.15Å
293	A	97.4	Very high	94.3	Very high	12 Å²	12	71.9 Å²	71.9	10%	0.099	37%	0.371	C	S	.	.	H	α-helix	trans	-62.6	-43.9	173.2	0	0	0	0	0	111.3	A216 R220 D289 T290 A295 A296 V297	A216-A293 HydrophobicContact CB-CB 3.84Å; R220-A293 HydrophobicContact CG-CB 4.01Å; D289-A293 WeakPolarHBondContact O-CB 3.27Å; D289-A293 PolarHBondContact O-N 2.94Å; T290-A293 PolarHBondContact O-N 3.26Å; A293-A295 VanDerWaalsContact C-N 3.32Å; A293-A295 PolarHBondContact O-N 3.25Å; A293-A296 PolarHBondContact O-N 3.39Å; A293-V297 VanDerWaalsContact O-CG2 3.31Å; A293-V297 WeakPolarHBondContact O-CG2 3.38Å; A293-V297 PolarHBondContact O-N 2.96Å
294	A	97.4	Very high	94.8	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-39.8	177.1	0	0	0	0	0	112.1	L213 A216 I263 T290 M291 A296 V297 Y298	L213-A294 HydrophobicContact CD2-CB 3.72Å; L213-A294 HydrophobicContact CG-CB 4.36Å; A216-A294 VanDerWaalsContact CB-CA 3.49Å; A216-A294 HydrophobicContact CB-CB 3.7Å; A216-A294 VanDerWaalsContact CB-N 3.28Å; I263-A294 HydrophobicContact CD1-CB 3.85Å; T290-A294 VanDerWaalsContact O-CB 3.27Å; T290-A294 WeakPolarHBondContact O-CB 3.45Å; T290-A294 PolarHBondContact O-N 2.9Å; M291-A294 PolarHBondContact O-N 3.48Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-A296 PolarHBondContact O-N 3.37Å; A294-V297 PolarHBondContact O-N 3.03Å; A294-Y298 VanDerWaalsContact O-CB 3.27Å; A294-Y298 WeakPolarHBondContact O-CB 3.48Å; A294-Y298 PolarHBondContact O-N 3.43Å
295	A	97.4	Very high	95.4	Very high	35 Å²	35	71.7 Å²	71.7	29%	0.289	38%	0.376	S	S	.	.	H	α-helix	trans	-59.7	-43.6	174.7	0	0	0	0	0	112.2	I263 M291 L292 A293 K299	I263-A295 HydrophobicContact CG2-CB 3.52Å; M291-A295 PolarHBondContact O-N 3.13Å; L292-A295 PolarHBondContact O-N 2.99Å; A293-A295 VanDerWaalsContact C-N 3.32Å; A293-A295 PolarHBondContact O-N 3.25Å; A295-K299 PolarHBondContact O-N 2.98Å; A295-K299 VanDerWaalsContact O-N 3.12Å
296	A	97.2	Very high	95.9	Very high	63 Å²	63	70.7 Å²	70.7	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-66.6	-46.8	177.9	0	0	0	0	0	111.5	L292 A293 A294 Y298 K299 E300	L292-A296 PolarHBondContact O-N 2.85Å; L292-A296 VanDerWaalsContact O-N 3.15Å; A293-A296 PolarHBondContact O-N 3.39Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-A296 PolarHBondContact O-N 3.37Å; A296-Y298 VanDerWaalsContact C-N 3.34Å; A296-Y298 PolarHBondContact O-N 3.43Å; A296-K299 PolarHBondContact O-N 3.32Å; A296-E300 WeakPolarHBondContact O-CB 3.33Å; A296-E300 PolarHBondContact O-N 3.37Å
297	V	97.8	Very high	96	Very high	28 Å²	28	69.8 Å²	69.8	17%	0.17	38%	0.376	C	S	.	.	H	α-helix	trans	-60.8	-42.8	177.2	172.8	0	0	0	0	111.3	L215 A293 A294 E300 M301	L215-V297 HydrophobicContact CB-CG1 4.23Å; L215-V297 HydrophobicContact CD1-CG1 3.97Å; A293-V297 VanDerWaalsContact O-CG2 3.31Å; A293-V297 WeakPolarHBondContact O-CG2 3.38Å; A293-V297 PolarHBondContact O-N 2.96Å; A294-V297 PolarHBondContact O-N 3.03Å; V297-E300 PolarHBondContact O-N 3.07Å; V297-M301 HydrophobicContact CG1-CE 3.78Å; V297-M301 HydrophobicContact CG1-CG 4.21Å; V297-M301 HydrophobicContact CG1-SD 3.8Å; V297-M301 WeakPolarHBondContact O-CB 3.03Å; V297-M301 WeakPolarHBondContact O-CG 3.41Å; V297-M301 PolarHBondContact O-N 2.96Å
298	Y	98.1	Very high	96.2	Very high	1 Å²	1	66.1 Å²	66.1	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-60.9	-50.3	178.3	-156.5	153.5	0	0	0	110.8	E208 L209 S212 I263 L266 A294 A296 E300 M301 Y302 G303 V309 P310	E208-Y298 HydrophobicContact CB-CD2 4.35Å; E208-Y298 HydrophobicContact CB-CE2 3.45Å; E208-Y298 VanDerWaalsContact CB-CE2 3.45Å; E208-Y298 WeakPolarHBondContact CB-OH 3.31Å; E208-Y298 HydrophobicContact CG-CE2 4.37Å; L209-Y298 HydrophobicContact CB-CE1 3.87Å; L209-Y298 HydrophobicContact CD1-CD1 4.33Å; L209-Y298 HydrophobicContact CD1-CE1 3.96Å; S212-Y298 WeakPolarHBondContact OG-CA 3.17Å; S212-Y298 WeakPolarHBondContact OG-CB 3.35Å; S212-Y298 PolarHBondContact OG-N 3.27Å; I263-Y298 HydrophobicContact CB-CD1 4.02Å; I263-Y298 HydrophobicContact CD1-CD1 4.03Å; I263-Y298 HydrophobicContact CG1-CD1 3.91Å; I263-Y298 HydrophobicContact CG1-CE1 4.33Å; L266-Y298 HydrophobicContact CD2-CE1 3.85Å; A294-Y298 VanDerWaalsContact O-CB 3.27Å; A294-Y298 WeakPolarHBondContact O-CB 3.48Å; A294-Y298 PolarHBondContact O-N 3.43Å; A296-Y298 VanDerWaalsContact C-N 3.34Å; A296-Y298 PolarHBondContact O-N 3.43Å; Y298-E300 VanDerWaalsContact C-N 3.33Å; Y298-E300 PolarHBondContact O-N 2.92Å; Y298-M301 PolarHBondContact O-N 3.02Å; Y298-Y302 AromaticContact CD2-CD2 3.72Å; Y298-Y302 HydrophobicContact CD2-CD2 3.72Å; Y298-Y302 HydrophobicContact CD2-CG 4.32Å; Y298-Y302 HydrophobicContact CE2-CD2 4Å; Y298-Y302 HydrophobicContact CE2-CG 4.41Å; Y298-Y302 PolarHBondContact O-N 2.97Å; Y298-G303 PolarHBondContact O-N 3.43Å; Y298-V309 HydrophobicContact CD2-CB 3.83Å; Y298-V309 HydrophobicContact CD2-CG1 3.96Å; Y298-V309 HydrophobicContact CD2-CG2 4.44Å; Y298-V309 HydrophobicContact CE2-CB 3.74Å; Y298-V309 HydrophobicContact CE2-CG1 4.39Å; Y298-V309 HydrophobicContact CE2-CG2 4.25Å; Y298-V309 HydrophobicContact CG-CB 4.44Å; Y298-V309 HydrophobicContact CG-CG1 4.35Å; Y298-P310 WeakPolarHBondContact CE2-O 3.27Å; Y298-P310 PolarHBondContact OH-O 2.92Å
299	K	97.2	Very high	96.4	Very high	127 Å²	127	56.8 Å²	56.8	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-63.3	-39.1	-180	-169.7	174	-176.5	174.8	0	112.5	A295 A296 G303	A295-K299 PolarHBondContact O-N 2.98Å; A295-K299 VanDerWaalsContact O-N 3.12Å; A296-K299 PolarHBondContact O-N 3.32Å; K299-G303 WeakPolarHBondContact O-CA 3.34Å; K299-G303 PolarHBondContact O-N 3.34Å
300	E	97.2	Very high	96.6	Very high	168 Å²	168	51.9 Å²	51.9	79%	0.785	30%	0.3	S	S	*	.	H	α-helix	trans	-70.4	-44.2	-179.9	-173.3	62.2	-160.5	0	0	112.3	A296 V297 Y298	A296-E300 WeakPolarHBondContact O-CB 3.33Å; A296-E300 PolarHBondContact O-N 3.37Å; V297-E300 PolarHBondContact O-N 3.07Å; Y298-E300 VanDerWaalsContact C-N 3.33Å; Y298-E300 PolarHBondContact O-N 2.92Å
301	M	97	Very high	96.7	Very high	82 Å²	82	51.8 Å²	51.8	40%	0.404	30%	0.299	S	S	.	.	H	α-helix	trans	-81.7	-33.1	-174.8	-63.1	-167.7	-32.1	0	0	113.5	C211 L215 V297 Y298	C211-M301 HydrophobicContact CB-CE 4.37Å; L215-M301 HydrophobicContact CD1-CE 3.71Å; L215-M301 HydrophobicContact CD1-SD 3.52Å; L215-M301 VanDerWaalsContact CD1-SD 3.52Å; V297-M301 HydrophobicContact CG1-CE 3.78Å; V297-M301 HydrophobicContact CG1-CG 4.21Å; V297-M301 HydrophobicContact CG1-SD 3.8Å; V297-M301 WeakPolarHBondContact O-CB 3.03Å; V297-M301 WeakPolarHBondContact O-CG 3.41Å; V297-M301 PolarHBondContact O-N 2.96Å; Y298-M301 PolarHBondContact O-N 3.02Å
302	Y	97.6	Very high	96.8	Very high	55 Å²	55	51.3 Å²	51.3	22%	0.216	30%	0.297	C	S	.	.	H	α-helix	trans	-130	-1.5	-169.9	-51.1	-67.2	0	0	0	113.8	Y207 E208 C211 Y298 N304 P310	Y207-Y302 AromaticContact CE2-CE1 3.98Å; Y207-Y302 HydrophobicContact CE2-CE1 3.98Å; E208-Y302 HydrophobicContact CB-CD1 4.38Å; E208-Y302 HydrophobicContact CB-CD2 3.62Å; E208-Y302 HydrophobicContact CB-CE2 3.77Å; E208-Y302 HydrophobicContact CB-CG 3.94Å; E208-Y302 HydrophobicContact CG-CD1 3.92Å; E208-Y302 HydrophobicContact CG-CD2 4.08Å; E208-Y302 HydrophobicContact CG-CE1 4.18Å; E208-Y302 HydrophobicContact CG-CE2 4.3Å; E208-Y302 HydrophobicContact CG-CG 3.87Å; E208-Y302 WeakPolarHBondContact O-CE2 3.14Å; C211-Y302 HydrophobicContact CB-CE2 4.4Å; C211-Y302 WeakPolarHBondContact CB-OH 2.98Å; Y298-Y302 AromaticContact CD2-CD2 3.72Å; Y298-Y302 HydrophobicContact CD2-CD2 3.72Å; Y298-Y302 HydrophobicContact CD2-CG 4.32Å; Y298-Y302 HydrophobicContact CE2-CD2 4Å; Y298-Y302 HydrophobicContact CE2-CG 4.41Å; Y298-Y302 PolarHBondContact O-N 2.97Å; Y302-N304 PolarHBondContact O-N 3.06Å; Y302-P310 WeakPolarHBondContact O-CD 3.38Å; Y302-P310 WeakPolarHBondContact O-CG 3.49Å
303	G	96.6	Very high	96.8	Very high	33 Å²	33	46.6 Å²	46.6	34%	0.34	27%	0.272	S	S	.	.			trans	-61.7	136.3	-177.6	0	0	0	0	0	112.4	Y298 K299 S308	Y298-G303 PolarHBondContact O-N 3.43Å; K299-G303 WeakPolarHBondContact O-CA 3.34Å; K299-G303 PolarHBondContact O-N 3.34Å; G303-S308 WeakPolarHBondContact CA-O 3.4Å
304	N	95.9	Very high	96.9	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.251	27%	0.271	S	S	.	.			trans	-81.1	161	174.9	-65	-56	0	0	0	110.9	H259 Y302 D306 G307 S308	H259-N304 PolarHBondContact CE1-ND2 3.22Å; H259-N304 PolarHBondContact ND1-ND2 3.29Å; Y302-N304 PolarHBondContact O-N 3.06Å; N304-D306 WeakPolarHBondContact CB-OD1 3.25Å; N304-D306 PolarHBondContact O-N 3.49Å; N304-D306 VanDerWaalsContact O-N 3.11Å; N304-G307 PolarHBondContact O-N 3.35Å; N304-S308 PolarHBondContact N-O 2.75Å; N304-S308 PolarHBondContact ND2-OG 2.9Å
305	P	94.7	Very high	96.9	Very high	144 Å²	144	46.7 Å²	46.7	94%	0.935	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.5	178.3	-26	35.4	0	0	0	114.8	G307	P305-G307 PolarHBondContact O-N 2.81Å
306	D	94.3	Very high	96.9	Very high	117 Å²	117	45 Å²	45	63%	0.626	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.6	176.6	69.2	-10	0	0	0	113.5	N304 S308	N304-D306 WeakPolarHBondContact CB-OD1 3.25Å; N304-D306 PolarHBondContact O-N 3.49Å; N304-D306 VanDerWaalsContact O-N 3.11Å; D306-S308 VanDerWaalsContact OD1-CB 3.29Å; D306-S308 WeakPolarHBondContact OD1-CB 3.49Å; D306-S308 PolarHBondContact OD1-N 2.97Å; D306-S308 PolarHBondContact OD1-OG 2.78Å; D306-S308 PolarHBondContact OD2-OG 3.22Å
307	G	91.6	Very high	96.9	Very high	28 Å²	28	42 Å²	42	29%	0.289	23%	0.232	S	C	.	.	S	Bend	trans	87	-0.8	-178.7	0	0	0	0	0	114.8	N304 P305	N304-G307 PolarHBondContact O-N 3.35Å; P305-G307 PolarHBondContact O-N 2.81Å
308	S	96.9	Very high	96.9	Very high	11 Å²	11	40.8 Å²	40.8	8%	0.077	23%	0.225	C	C	.	.			trans	-76.8	162.5	173	71	0	0	0	0	112	Y260 G303 N304 D306	Y260-S308 CarbonylContact O-C 3.56Å; Y260-S308 WeakPolarHBondContact O-CA 3.35Å; Y260-S308 WeakPolarHBondContact O-CB 3.49Å; G303-S308 WeakPolarHBondContact CA-O 3.4Å; N304-S308 PolarHBondContact N-O 2.75Å; N304-S308 PolarHBondContact ND2-OG 2.9Å; D306-S308 VanDerWaalsContact OD1-CB 3.29Å; D306-S308 WeakPolarHBondContact OD1-CB 3.49Å; D306-S308 PolarHBondContact OD1-N 2.97Å; D306-S308 PolarHBondContact OD1-OG 2.78Å; D306-S308 PolarHBondContact OD2-OG 3.22Å
309	V	97.8	Very high	96.8	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.3	170.3	-63.2	0	0	0	0	110.1	Y260 Y298	Y260-V309 PolarHBondContact N-O 3.46Å; Y260-V309 PolarHBondContact O-N 2.57Å; Y298-V309 HydrophobicContact CD2-CB 3.83Å; Y298-V309 HydrophobicContact CD2-CG1 3.96Å; Y298-V309 HydrophobicContact CD2-CG2 4.44Å; Y298-V309 HydrophobicContact CE2-CB 3.74Å; Y298-V309 HydrophobicContact CE2-CG1 4.39Å; Y298-V309 HydrophobicContact CE2-CG2 4.25Å; Y298-V309 HydrophobicContact CG-CB 4.44Å; Y298-V309 HydrophobicContact CG-CG1 4.35Å
310	P	98.1	Very high	96.8	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	144.1	176.7	32.3	-32.6	0	0	0	110.6	Q257 Y298 Y302	Q257-P310 HydrophobicContact CG-CB 3.91Å; Y298-P310 WeakPolarHBondContact CE2-O 3.27Å; Y298-P310 PolarHBondContact OH-O 2.92Å; Y302-P310 WeakPolarHBondContact O-CD 3.38Å; Y302-P310 WeakPolarHBondContact O-CG 3.49Å
311	A	98	Very high	96.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.6	164	0	0	0	0	0	108.5	L206 V258 Y260 L266 F313	L206-A311 HydrophobicContact CD2-CB 3.98Å; V258-A311 PolarHBondContact N-O 3.11Å; V258-A311 PolarHBondContact O-N 3.46Å; Y260-A311 HydrophobicContact CD2-CB 3.97Å; Y260-A311 HydrophobicContact CE2-CB 3.64Å; L266-A311 HydrophobicContact CD1-CB 3.68Å; L266-A311 HydrophobicContact CD2-CB 3.85Å; L266-A311 HydrophobicContact CG-CB 4.41Å; A311-F313 HydrophobicContact CB-CE2 4.13Å
312	T	97.9	Very high	96.8	Very high	12 Å²	12	27 Å²	27	7%	0.074	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.9	-178.6	-60	0	0	0	0	110.4	T205 L206 Y207 E208 D255 Q257	T205-T312 CarbonylContact C-O 3.44Å; T205-T312 WeakPolarHBondContact CA-O 3.36Å; L206-T312 PolarHBondContact N-O 3.04Å; Y207-T312 HydrophobicContact CE1-CG2 4.38Å; E208-T312 VanDerWaalsContact OE1-CB 3.3Å; E208-T312 WeakPolarHBondContact OE1-CB 3.35Å; E208-T312 PolarHBondContact OE1-N 3.39Å; E208-T312 PolarHBondContact OE1-OG1 2.76Å; E208-T312 PolarHBondContact OE2-N 2.91Å; D255-T312 HydrophobicContact CB-CG2 4.17Å; Q257-T312 PolarHBondContact NE2-OG1 2.71Å
313	F	97.7	Very high	96.7	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	104.5	172.9	-60.8	-90.3	0	0	0	108.9	L83 T205 L206 V256 V258 L270 A311 I315	L83-F313 HydrophobicContact CD1-CB 4.25Å; L83-F313 HydrophobicContact CD1-CD2 4.36Å; L83-F313 HydrophobicContact CD1-CG 4.23Å; L83-F313 HydrophobicContact CD2-CB 4.33Å; L83-F313 HydrophobicContact CD2-CD1 3.47Å; L83-F313 VanDerWaalsContact CD2-CD1 3.47Å; L83-F313 HydrophobicContact CD2-CD2 4.18Å; L83-F313 HydrophobicContact CD2-CE1 3.67Å; L83-F313 HydrophobicContact CD2-CE2 4.36Å; L83-F313 HydrophobicContact CD2-CG 3.74Å; L83-F313 HydrophobicContact CD2-CZ 4.12Å; T205-F313 HydrophobicContact CG2-CD1 3.87Å; L206-F313 HydrophobicContact CD1-CE1 4.48Å; L206-F313 HydrophobicContact CD2-CD1 4.44Å; L206-F313 HydrophobicContact CD2-CE1 3.82Å; L206-F313 HydrophobicContact CD2-CZ 3.89Å; L206-F313 HydrophobicContact CG-CE1 4.2Å; V256-F313 HydrophobicContact CB-CB 4.41Å; V256-F313 PolarHBondContact N-O 3.38Å; V256-F313 PolarHBondContact O-N 2.96Å; V258-F313 HydrophobicContact CB-CE2 4.2Å; V258-F313 HydrophobicContact CG2-CD2 4.12Å; V258-F313 HydrophobicContact CG2-CE2 3.94Å; L270-F313 HydrophobicContact CD2-CE1 3.95Å; L270-F313 HydrophobicContact CD2-CZ 4.17Å; A311-F313 HydrophobicContact CB-CE2 4.13Å; F313-I315 HydrophobicContact CB-CD1 4.16Å; F313-I315 PolarHBondContact O-N 3.49Å
314	Q	97.6	Very high	96.5	Very high	14 Å²	14	30 Å²	30	7%	0.065	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.3	174	-178.6	180	75.9	0	0	108.6	A201 G202 D204 T205 V253 D255 L316	A201-Q314 CarbonylContact C-O 3.11Å; A201-Q314 WeakPolarHBondContact CA-O 3.45Å; G202-Q314 PolarHBondContact N-O 3.15Å; D204-Q314 HydrophobicContact CB-CB 4.2Å; D204-Q314 PolarHBondContact OD2-NE2 3.29Å; T205-Q314 PolarHBondContact OG1-N 3.34Å; T205-Q314 PolarHBondContact OG1-O 3.49Å; T205-Q314 VanDerWaalsContact OG1-O 3.08Å; V253-Q314 HydrophobicContact CG1-CG 3.63Å; D255-Q314 WeakPolarHBondContact OD1-CA 3.3Å; D255-Q314 WeakPolarHBondContact OD1-CB 3.38Å; Q314-L316 HydrophobicContact CG-CD2 4.19Å
315	I	97.9	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118	-179.9	-46.5	-58.8	0	0	0	108.7	V87 F171 A199 V253 D254 V256 F313 Y317	V87-I315 HydrophobicContact CG1-CG2 4.1Å; V87-I315 HydrophobicContact CG2-CD1 3.97Å; V87-I315 HydrophobicContact CG2-CG1 4.01Å; V87-I315 HydrophobicContact CG2-CG2 4.2Å; F171-I315 HydrophobicContact CD2-CD1 4.18Å; F171-I315 HydrophobicContact CE2-CD1 3.62Å; A199-I315 HydrophobicContact CB-CG2 4.13Å; V253-I315 WeakPolarHBondContact CA-O 3.49Å; D254-I315 PolarHBondContact N-O 3.31Å; D254-I315 PolarHBondContact O-N 2.93Å; V256-I315 HydrophobicContact CG2-CG1 4.21Å; F313-I315 HydrophobicContact CB-CD1 4.16Å; F313-I315 PolarHBondContact O-N 3.49Å; I315-Y317 HydrophobicContact CB-CE2 3.89Å; I315-Y317 HydrophobicContact CG2-CD2 4.24Å; I315-Y317 HydrophobicContact CG2-CE1 4.07Å; I315-Y317 HydrophobicContact CG2-CE2 3.61Å
316	L	97.7	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.3	173.9	-53.3	-178.1	0	0	0	108.6	A199 M200 V234 L237 V253 Q314	A199-L316 WeakPolarHBondContact CA-O 3.4Å; M200-L316 HydrophobicContact CG-CB 4.31Å; M200-L316 PolarHBondContact N-O 2.92Å; M200-L316 PolarHBondContact O-N 3.17Å; V234-L316 HydrophobicContact CB-CD2 3.97Å; V234-L316 HydrophobicContact CG2-CD2 4.17Å; L237-L316 HydrophobicContact CD2-CB 4.05Å; L237-L316 HydrophobicContact CD2-CD1 4.36Å; V253-L316 HydrophobicContact CB-CD2 4.44Å; V253-L316 HydrophobicContact CG1-CD2 4.1Å; V253-L316 HydrophobicContact CG2-CD2 3.76Å; Q314-L316 HydrophobicContact CG-CD2 4.19Å
317	Y	97.8	Very high	95.1	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.8	170.4	-61.3	-87.5	0	0	0	109.8	V87 R90 V91 R94 G198 A199 V251 D252 D254 I315	V87-Y317 HydrophobicContact CG1-CE1 4.37Å; R90-Y317 HydrophobicContact CB-CE1 4.04Å; R90-Y317 WeakPolarHBondContact CB-OH 3.41Å; R90-Y317 WeakPolarHBondContact CD-OH 3.49Å; V91-Y317 HydrophobicContact CG2-CD1 4.32Å; V91-Y317 HydrophobicContact CG2-CE1 4.06Å; R94-Y317 VanDerWaalsContact CZ-CG 3.45Å; G198-Y317 CarbonylContact O-C 3.56Å; G198-Y317 WeakPolarHBondContact O-CA 3.45Å; A199-Y317 HydrophobicContact CB-CD1 3.74Å; A199-Y317 HydrophobicContact CB-CE1 3.69Å; V251-Y317 VanDerWaalsContact CA-O 3.31Å; V251-Y317 WeakPolarHBondContact CA-O 3.33Å; D252-Y317 PolarHBondContact N-O 3.4Å; D252-Y317 PolarHBondContact O-N 3.38Å; D254-Y317 HydrophobicContact CB-CE2 3.94Å; D254-Y317 VanDerWaalsContact OD2-CE2 3.25Å; D254-Y317 WeakPolarHBondContact OD2-CE2 3.41Å; I315-Y317 HydrophobicContact CB-CE2 3.89Å; I315-Y317 HydrophobicContact CG2-CD2 4.24Å; I315-Y317 HydrophobicContact CG2-CE1 4.07Å; I315-Y317 HydrophobicContact CG2-CE2 3.61Å
318	M	96.8	Very high	94.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.7	177.7	60.4	-157	83.7	0	0	110.9	F196 I197 G198 M200 L237 L241 T250	F196-M318 HydrophobicContact CD1-CG 4.45Å; F196-M318 HydrophobicContact CE1-CG 3.62Å; F196-M318 HydrophobicContact CE1-SD 3.73Å; F196-M318 HydrophobicContact CZ-CG 4.06Å; F196-M318 HydrophobicContact CZ-SD 4.05Å; I197-M318 CarbonylContact C-O 3.53Å; I197-M318 WeakPolarHBondContact CA-O 3.27Å; G198-M318 PolarHBondContact N-O 3.47Å; G198-M318 PolarHBondContact O-N 3.25Å; M200-M318 HydrophobicContact CG-CE 3.63Å; M200-M318 HydrophobicContact SD-CE 3.67Å; L237-M318 HydrophobicContact CD1-CE 3.83Å; L237-M318 HydrophobicContact CD1-SD 3.78Å; L237-M318 HydrophobicContact CD2-CB 4.12Å; L237-M318 HydrophobicContact CD2-CE 3.63Å; L237-M318 HydrophobicContact CD2-SD 4.21Å; L237-M318 HydrophobicContact CG-CE 4.29Å; L237-M318 HydrophobicContact CG-SD 4.35Å; L241-M318 HydrophobicContact CD1-CB 3.94Å; T250-M318 CarbonylContact O-C 3.58Å; T250-M318 WeakPolarHBondContact O-CA 3.37Å
319	I	97.4	Very high	93.4	Very high	20 Å²	20	38.9 Å²	38.9	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.6	171	-54.4	179.1	0	0	0	107.3	R94 V195 F196 I197 L249 T250	R94-I319 HydrophobicContact CB-CD1 4.36Å; V195-I319 HydrophobicContact CG2-CG2 3.65Å; F196-I319 WeakPolarHBondContact O-CA 3.4Å; I197-I319 HydrophobicContact CG1-CG1 4.32Å; I197-I319 HydrophobicContact CG1-CG2 4.42Å; I197-I319 HydrophobicContact CG2-CG1 4.33Å; L249-I319 WeakPolarHBondContact CA-O 3.42Å; T250-I319 PolarHBondContact N-O 3.41Å; T250-I319 PolarHBondContact O-N 2.85Å
320	G	97.1	Very high	92.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	136.6	177.8	0	0	0	0	0	110.8	F196 F246	F196-G320 PolarHBondContact N-O 3.22Å; F196-G320 PolarHBondContact O-N 2.95Å; F246-G320 VanDerWaalsContact CD1-C 3.47Å
321	W	97.1	Very high	91.1	Very high	45 Å²	45	48.1 Å²	48.1	17%	0.17	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143	-177.8	-67.4	73.1	0	0	0	110.8	I98 R100 V195 F246 N247 M248	I98-W321 HydrophobicContact CD1-CZ2 4.18Å; I98-W321 HydrophobicContact CG2-CH2 3.78Å; I98-W321 HydrophobicContact CG2-CZ2 3.92Å; R100-W321 VanDerWaalsContact NH2-CZ2 3.34Å; V195-W321 HydrophobicContact CB-CD2 4.13Å; V195-W321 HydrophobicContact CB-CE3 4.42Å; V195-W321 HydrophobicContact CG2-CD2 4.1Å; V195-W321 HydrophobicContact CG2-CG 4.26Å; V195-W321 HydrophobicContact CG2-CZ2 4.4Å; F246-W321 CarbonylContact C-O 3.32Å; F246-W321 VanDerWaalsContact CA-O 3.3Å; F246-W321 WeakPolarHBondContact CA-O 3.37Å; N247-W321 PolarHBondContact N-O 2.8Å; N247-W321 PolarHBondContact O-N 2.86Å; N247-W321 WeakPolarHBondContact OD1-CB 3.31Å; N247-W321 PolarHBondContact OD1-O 2.91Å; M248-W321 HydrophobicContact CB-CB 4.43Å; M248-W321 HydrophobicContact CB-CG 4.25Å; M248-W321 HydrophobicContact CE-CB 3.78Å; M248-W321 HydrophobicContact CE-CD2 4Å; M248-W321 HydrophobicContact CE-CE3 4.16Å; M248-W321 HydrophobicContact CE-CG 3.82Å
322	K	97.1	Very high	89.9	Confident	24 Å²	24	53 Å²	53	10%	0.104	31%	0.309	C	S	.	.			trans	-77.6	124.8	168.4	-176.8	158.4	-179.4	175.1	0	108.3	N162 H187 L190 K191 D193 G194 H324 Q327	N162-K322 PolarHBondContact OD1-NZ 3.45Å; H187-K322 WeakPolarHBondContact O-CD 3.17Å; H187-K322 WeakPolarHBondContact O-CE 3.36Å; H187-K322 PolarHBondContact O-NZ 3.45Å; L190-K322 HydrophobicContact CB-CB 4.37Å; L190-K322 HydrophobicContact CB-CD 3.96Å; L190-K322 VanDerWaalsContact O-CD 3.26Å; L190-K322 WeakPolarHBondContact O-CD 3.32Å; L190-K322 WeakPolarHBondContact O-CE 3.47Å; L190-K322 PolarHBondContact O-NZ 3.44Å; K191-K322 WeakPolarHBondContact O-CD 3.41Å; D193-K322 WeakPolarHBondContact CA-O 3.41Å; D193-K322 PolarHBondContact N-O 3.05Å; G194-K322 PolarHBondContact O-N 3.42Å; K322-H324 PolarHBondContact O-N 2.97Å; K322-Q327 PolarHBondContact O-NE2 2.96Å
323	P	94.1	Very high	88.4	Confident	63 Å²	63	64.9 Å²	64.9	41%	0.409	35%	0.352	S	S	.	.			trans	-56.1	137.5	-176.4	-26.7	34	0	0	0	113.2	R245 N247	R245-P323 WeakPolarHBondContact O-CD 3.31Å; N247-P323 HydrophobicContact CB-CG 4.25Å
324	H	92.5	Very high	87.2	Confident	89 Å²	89	68.4 Å²	68.4	41%	0.412	39%	0.389	S	S	.	.			trans	-151.6	154	171.7	-174.4	-110.1	0	0	0	111	P192 D193 K322 S326 Q327	P192-H324 HydrophobicContact CB-CB 4.1Å; P192-H324 VanDerWaalsContact CB-CD2 3.44Å; P192-H324 WeakPolarHBondContact CB-CD2 3.41Å; D193-H324 HydrophobicContact CB-CB 3.72Å; K322-H324 PolarHBondContact O-N 2.97Å; H324-S326 WeakPolarHBondContact ND1-CB 3.34Å; H324-S326 PolarHBondContact ND1-N 3.15Å; H324-S326 PolarHBondContact ND1-OG 3.18Å; H324-S326 PolarHBondContact O-N 2.61Å; H324-Q327 HydrophobicContact CB-CG 4.45Å; H324-Q327 VanDerWaalsContact N-OE1 3.15Å; H324-Q327 WeakPolarHBondContact O-CB 3.27Å; H324-Q327 PolarHBondContact O-N 3.17Å
325	E	86.7	Confident	86.1	Confident	173 Å²	173	70.7 Å²	70.7	81%	0.808	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.2	-175.3	-62	-173.5	164.5	0	0	113.7	Q327	E325-Q327 PolarHBondContact O-N 3.12Å
326	S	84	Confident	84.9	Confident	78 Å²	78	75 Å²	75	55%	0.545	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.2	176.6	66.2	0	0	0	0	113.8	H324	H324-S326 WeakPolarHBondContact ND1-CB 3.34Å; H324-S326 PolarHBondContact ND1-N 3.15Å; H324-S326 PolarHBondContact ND1-OG 3.18Å; H324-S326 PolarHBondContact O-N 2.61Å
327	Q	84.7	Confident	83.8	Confident	19 Å²	19	81.6 Å²	81.6	9%	0.089	48%	0.483	C	S	.	.	S	Bend	trans	-73.6	141.8	-177.2	-67.6	172.1	-17.1	0	0	110.6	D193 N247 M248 K322 H324 E325 K329	D193-Q327 WeakPolarHBondContact OD1-CG 3.29Å; D193-Q327 PolarHBondContact OD1-NE2 2.76Å; N247-Q327 PolarHBondContact ND2-OE1 3.03Å; N247-Q327 PolarHBondContact OD1-OE1 3.46Å; M248-Q327 HydrophobicContact CE-CB 3.89Å; M248-Q327 HydrophobicContact CE-CG 3.69Å; K322-Q327 PolarHBondContact O-NE2 2.96Å; H324-Q327 HydrophobicContact CB-CG 4.45Å; H324-Q327 VanDerWaalsContact N-OE1 3.15Å; H324-Q327 WeakPolarHBondContact O-CB 3.27Å; H324-Q327 PolarHBondContact O-N 3.17Å; E325-Q327 PolarHBondContact O-N 3.12Å; Q327-K329 PolarHBondContact O-N 3.23Å; Q327-K329 VanDerWaalsContact O-N 3.09Å
328	A	77.6	Confident	82.7	Confident	91 Å²	91	86.3 Å²	86.3	75%	0.752	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-58.5	117.5	177	0	0	0	0	0	109.8
329	K	76.8	Confident	81.7	Confident	171 Å²	171	89.2 Å²	89.2	74%	0.743	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-77.5	135.2	174.6	-67.1	-178.9	-176.6	174.9	0	108.6	Q327 A331	Q327-K329 PolarHBondContact O-N 3.23Å; Q327-K329 VanDerWaalsContact O-N 3.09Å; K329-A331 PolarHBondContact O-N 3.41Å
330	P	73.8	Confident	80.3	Confident	126 Å²	126	97 Å²	97	82%	0.818	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-52.7	134.7	171.5	-24.1	32.8	0	0	0	110.1
331	A	71.9	Confident	79.1	Confident	81 Å²	81	107.6 Å²	107.6	67%	0.669	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-59.7	147.3	174.8	0	0	0	0	0	109.9	K329 R333 S335	K329-A331 PolarHBondContact O-N 3.41Å; A331-R333 PolarHBondContact O-N 3.35Å; A331-S335 WeakPolarHBondContact CB-OG 3.2Å
332	C	74.3	Confident	78	Confident	103 Å²	103	108.2 Å²	108.2	70%	0.696	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-55.7	132.8	178.8	-69.8	0	0	0	0	110.1	G334 S335	C332-G334 PolarHBondContact O-N 2.94Å; C332-G334 VanDerWaalsContact O-N 3.08Å; C332-S335 VanDerWaalsContact O-CB 3.29Å; C332-S335 WeakPolarHBondContact O-CB 3.42Å; C332-S335 PolarHBondContact O-N 3.45Å; C332-S335 PolarHBondContact O-OG 2.94Å
333	R	65.8	Low	76.7	Confident	260 Å²	260	111.8 Å²	111.8	98%	0.981	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	121.2	178.2	-172.5	178.3	-179.6	-178	0.3	109.5	A331	A331-R333 PolarHBondContact O-N 3.35Å
334	G	73.1	Confident	75.4	Confident	77 Å²	77	112.3 Å²	112.3	79%	0.794	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.5	-2.1	-176.4	0	0	0	0	0	115.5	C332 A336	C332-G334 PolarHBondContact O-N 2.94Å; C332-G334 VanDerWaalsContact O-N 3.08Å; G334-A336 PolarHBondContact O-N 3.02Å
335	S	74.8	Confident	74.1	Confident	62 Å²	62	115.6 Å²	115.6	43%	0.434	65%	0.654	S	S	.	*			trans	-83.6	16	175.7	74.3	0	0	0	0	114	A331 C332 T337	A331-S335 WeakPolarHBondContact CB-OG 3.2Å; C332-S335 VanDerWaalsContact O-CB 3.29Å; C332-S335 WeakPolarHBondContact O-CB 3.42Å; C332-S335 PolarHBondContact O-N 3.45Å; C332-S335 PolarHBondContact O-OG 2.94Å; S335-T337 PolarHBondContact O-N 3.48Å
336	A	72.8	Confident	73	Confident	92 Å²	92	113 Å²	113	76%	0.76	65%	0.65	S	S	*	*			trans	-71.8	109.2	177.9	0	0	0	0	0	109.2	G334	G334-A336 PolarHBondContact O-N 3.02Å
337	T	74.2	Confident	71.5	Confident	137 Å²	137	113.5 Å²	113.5	84%	0.84	65%	0.654	S	S	*	*			trans	-88.4	-10.3	-179.1	47	0	0	0	0	113.4	S335	S335-T337 PolarHBondContact O-N 3.48Å
338	V	74.1	Confident	69.6	Low	101 Å²	101	122.7 Å²	122.7	61%	0.612	69%	0.687	S	S	*	*	S	Bend	trans	-125.8	127.8	-176.2	-173.2	0	0	0	0	109.3	D342	V338-D342 HydrophobicContact CG1-CB 4.37Å
339	S	75.3	Confident	68.3	Low	61 Å²	61	123.8 Å²	123.8	43%	0.427	69%	0.687	S	S	.	*			trans	-83.3	143.9	175.4	-179.8	0	0	0	0	110.4	R341 D342	S339-R341 PolarHBondContact O-N 2.65Å; S339-R341 PolarHBondContact OG-N 2.82Å; S339-D342 WeakPolarHBondContact O-CB 3.14Å; S339-D342 PolarHBondContact O-N 3.3Å
340	F	69.1	Low	66.9	Low	184 Å²	184	123.3 Å²	123.3	81%	0.807	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-54.5	-24.1	170.3	-86.5	-84.6	0	0	0	112.8	D342 L343	F340-D342 PolarHBondContact O-N 3.4Å; F340-L343 HydrophobicContact CB-CD1 4.43Å; F340-L343 HydrophobicContact CD1-CD1 3.5Å; F340-L343 VanDerWaalsContact CD1-CD1 3.5Å; F340-L343 HydrophobicContact CE1-CD1 4.17Å; F340-L343 HydrophobicContact CG-CD1 4.35Å; F340-L343 WeakPolarHBondContact O-CB 2.95Å; F340-L343 PolarHBondContact O-N 2.92Å
341	R	72	Confident	65.7	Low	222 Å²	222	123.1 Å²	123.1	84%	0.838	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-66.5	-23.2	175.3	-65.9	-175.4	179.5	177.3	-0.3	113.4	S339	S339-R341 PolarHBondContact O-N 2.65Å; S339-R341 PolarHBondContact OG-N 2.82Å
342	D	74.6	Confident	64.4	Low	58 Å²	58	123.2 Å²	123.2	31%	0.31	70%	0.695	S	S	.	*	G	3₁₀ helix	trans	-87.1	-4.7	-177.7	-66.2	-56	0	0	0	113.2	V338 S339 F340 A344 K345	V338-D342 HydrophobicContact CG1-CB 4.37Å; S339-D342 WeakPolarHBondContact O-CB 3.14Å; S339-D342 PolarHBondContact O-N 3.3Å; F340-D342 PolarHBondContact O-N 3.4Å; D342-A344 PolarHBondContact O-N 3.49Å; D342-K345 WeakPolarHBondContact O-CB 3.48Å; D342-K345 PolarHBondContact O-N 2.94Å; D342-K345 IonicContact OD1-NZ 3.98Å; D342-K345 PolarHBondContact OD1-NZ 3.48Å
343	L	68.6	Low	63	Low	99 Å²	99	125.9 Å²	125.9	52%	0.518	70%	0.702	S	S	.	*	H	α-helix	trans	-58	-30.2	176.6	-77.2	166.6	0	0	0	113	F340 K345 V346	F340-L343 HydrophobicContact CB-CD1 4.43Å; F340-L343 HydrophobicContact CD1-CD1 3.5Å; F340-L343 VanDerWaalsContact CD1-CD1 3.5Å; F340-L343 HydrophobicContact CE1-CD1 4.17Å; F340-L343 HydrophobicContact CG-CD1 4.35Å; F340-L343 WeakPolarHBondContact O-CB 2.95Å; F340-L343 PolarHBondContact O-N 2.92Å; L343-K345 PolarHBondContact O-N 3.41Å; L343-V346 PolarHBondContact O-N 2.96Å; L343-V346 VanDerWaalsContact O-N 3.13Å
344	A	68	Low	61.8	Low	74 Å²	74	123 Å²	123	61%	0.612	70%	0.7	S	S	*	*	H	α-helix	trans	-64	-17.7	176.2	0	0	0	0	0	113.8	D342	D342-A344 PolarHBondContact O-N 3.49Å
345	K	65.2	Low	60.2	Low	158 Å²	158	128.1 Å²	128.1	69%	0.687	72%	0.723	S	S	*	*	H	α-helix	trans	-88	-19.8	177	-62	171.8	-177.3	159.5	0	112.7	D342 L343	D342-K345 WeakPolarHBondContact O-CB 3.48Å; D342-K345 PolarHBondContact O-N 2.94Å; D342-K345 IonicContact OD1-NZ 3.98Å; D342-K345 PolarHBondContact OD1-NZ 3.48Å; L343-K345 PolarHBondContact O-N 3.41Å
346	V	62.7	Low	59.5	Low	118 Å²	118	131.4 Å²	131.4	72%	0.715	74%	0.738	S	S	*	*	H	α-helix	trans	-83.7	-18.6	-176	-178.2	0	0	0	0	111.9	L343	L343-V346 PolarHBondContact O-N 2.96Å; L343-V346 VanDerWaalsContact O-N 3.13Å
347	S	51.7	Low	58.8	Low	89 Å²	89	133.5 Å²	133.5	62%	0.622	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	12.8	-175.5	61.4	0	0	0	0	115.6	P349	S347-P349 WeakPolarHBondContact O-CD 3.17Å
348	R	46.3	Very low	57.9	Low	212 Å²	212	133.3 Å²	133.3	80%	0.8	73%	0.731	S	S	*	*			trans	-103.6	102.4	170.6	-73.7	-173	179.1	167.1	0.3	109	D350	R348-D350 PolarHBondContact O-N 3.47Å
349	P	49.7	Very low	57	Low	115 Å²	115	135.2 Å²	135.2	75%	0.747	74%	0.738	S	S	*	*			trans	-63.1	130.3	166	25.9	-30.3	0	0	0	108.1	S347 S351	S347-P349 WeakPolarHBondContact O-CD 3.17Å; P349-S351 PolarHBondContact O-N 2.92Å
350	D	48	Very low	55.8	Low	160 Å²	160	139.8 Å²	139.8	86%	0.856	76%	0.757	S	S	*	*			trans	-60.6	100	174.8	-73.9	-40.2	0	0	0	109.3	R348 A352	R348-D350 PolarHBondContact O-N 3.47Å; D350-A352 VanDerWaalsContact C-N 3.27Å; D350-A352 PolarHBondContact O-N 3.11Å; D350-A352 VanDerWaalsContact O-N 3.11Å
351	S	46.7	Very low	54.9	Low	123 Å²	123	136.9 Å²	136.9	86%	0.86	75%	0.754	S	S	*	*			trans	-78.2	80.9	164.5	58.4	0	0	0	0	108.4	P349	P349-S351 PolarHBondContact O-N 2.92Å
352	A	46.3	Very low	53.7	Low	82 Å²	82	130.8 Å²	130.8	68%	0.678	75%	0.748	S	S	*	*			trans	-159	85.3	167.1	0	0	0	0	0	110.7	D350	D350-A352 VanDerWaalsContact C-N 3.27Å; D350-A352 PolarHBondContact O-N 3.11Å; D350-A352 VanDerWaalsContact O-N 3.11Å
353	D	44.3	Very low	52.1	Low	159 Å²	159	136.4 Å²	136.4	85%	0.85	78%	0.782	S	S	*	*			trans	-160	87.2	137.4	-113.7	-5.8	0	0	0	109.3
354	Q	40.3	Very low	50.7	Low	201 Å²	201	139.5 Å²	139.5	94%	0.939	80%	0.804	S	S	*	*			trans	-131.6	103.7	153.1	-78.4	-173.4	20.4	0	0	106.5
355	S	39.4	Very low	49.2	Very low	183 Å²	183	145.5 Å²	145.5	100%	1.28	82%	0.821	S	S	*	*			trans	-143.6	0	155.5	63.2	0	0	0	0	108.5

Retrieved 355 of 355 residues in 477.1 ms (Link to these results)

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