A0A087Y8Y1_POEFO Loading...

2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial

Methyltransferase required for the conversion of 2-decaprenyl-6-methoxy-1,4-benzoquinol (DDMQH2) to 2-decaprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2). Methyltransferase required for the conversion of 2-polyprenyl-6-methoxy-1,4-benzoquinol (DDMQH2) to 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2).

AlphaFold DB (A0A3B3TRQ7), UniProt , Accession A0A087Y8Y1, Species POEFO (Poecilia formosa, Amazon molly), Gene COQ5, Length 326 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	40	Very low	218 Å²	218	133.9 Å²	133.9	100%	1.074	69%	0.689	S	S	*	*				0	-28.2	0	-78.3	-163.9	-84.7	0	0	114.8	A3	M1-A3 PolarHBondContact O-N 3.19Å
2	A	39.7	Very low	40.1	Very low	76 Å²	76	133.1 Å²	133.1	63%	0.628	69%	0.685	S	S	*	*	H	α-helix	trans	-72.6	-18.5	-178	0	0	0	0	0	116.3
3	A	33.9	Very low	40.1	Very low	74 Å²	74	128.9 Å²	128.9	61%	0.612	68%	0.683	S	S	*	*	H	α-helix	trans	-77.4	-32.2	-179.9	0	0	0	0	0	113.2	M1 R6	M1-A3 PolarHBondContact O-N 3.19Å; A3-R6 PolarHBondContact O-N 3.08Å
4	S	37.7	Very low	39.8	Very low	93 Å²	93	134.9 Å²	134.9	65%	0.65	69%	0.692	S	S	*	*	H	α-helix	trans	-74.3	-27.6	-176.6	-55.7	0	0	0	0	113.1	L8	S4-L8 PolarHBondContact O-N 3.24Å
5	V	43.6	Very low	39.5	Very low	95 Å²	95	135.7 Å²	135.7	58%	0.576	70%	0.696	S	S	*	*	H	α-helix	trans	-72	-36.2	177	-177.4	0	0	0	0	111.3	L7 L8 V9	V5-L7 VanDerWaalsContact C-N 3.3Å; V5-L7 PolarHBondContact O-N 3.3Å; V5-L8 PolarHBondContact O-N 2.92Å; V5-V9 PolarHBondContact O-N 2.82Å
6	R	42.4	Very low	39.3	Very low	194 Å²	194	134.2 Å²	134.2	73%	0.732	70%	0.702	S	S	*	*	H	α-helix	trans	-66.4	-28.7	177.8	-69.5	-177.6	-174.4	-174.2	0.8	113.3	A3	A3-R6 PolarHBondContact O-N 3.08Å
7	L	35.5	Very low	39.3	Very low	122 Å²	122	136.8 Å²	136.8	64%	0.639	71%	0.709	S	S	*	*	H	α-helix	trans	-77.1	-31.4	175	-109.9	109.2	0	0	0	112.5	V5 R10 R11	V5-L7 VanDerWaalsContact C-N 3.3Å; V5-L7 PolarHBondContact O-N 3.3Å; L7-R10 PolarHBondContact O-N 2.95Å; L7-R11 PolarHBondContact O-N 3.26Å
8	L	37.7	Very low	39	Very low	115 Å²	115	139.8 Å²	139.8	60%	0.602	72%	0.716	S	S	*	*	H	α-helix	trans	-69.1	-41.5	179.9	-154	80.3	0	0	0	111.6	S4 V5 R10 R11 L12	S4-L8 PolarHBondContact O-N 3.24Å; V5-L8 PolarHBondContact O-N 2.92Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.13Å; L8-R11 PolarHBondContact O-N 3.09Å; L8-R11 VanDerWaalsContact O-N 3.13Å; L8-L12 PolarHBondContact O-N 3.49Å
9	V	48	Very low	38.6	Very low	100 Å²	100	138 Å²	138	61%	0.606	72%	0.717	S	S	*	*	H	α-helix	trans	-62.2	-34.3	176.5	177.1	0	0	0	0	111.7	V5 R11	V5-V9 PolarHBondContact O-N 2.82Å; V9-R11 VanDerWaalsContact C-N 3.33Å; V9-R11 PolarHBondContact O-N 3.29Å
10	R	42.9	Very low	38.3	Very low	189 Å²	189	138.6 Å²	138.6	71%	0.713	73%	0.726	S	S	*	*	H	α-helix	trans	-70.5	-24.2	176.8	-73.7	179.5	174.8	-177.4	-0.8	114.1	L7 L8	L7-R10 PolarHBondContact O-N 2.95Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.13Å
11	R	36.4	Very low	37.9	Very low	197 Å²	197	138.4 Å²	138.4	74%	0.743	73%	0.731	S	S	*	*	H	α-helix	trans	-83.1	-34.9	178.6	-96.4	-175	173.9	-163	-1.3	112.6	L7 L8 V9 R14	L7-R11 PolarHBondContact O-N 3.26Å; L8-R11 PolarHBondContact O-N 3.09Å; L8-R11 VanDerWaalsContact O-N 3.13Å; V9-R11 VanDerWaalsContact C-N 3.33Å; V9-R11 PolarHBondContact O-N 3.29Å; R11-R14 PolarHBondContact O-N 3.3Å
12	L	41.2	Very low	37.4	Very low	124 Å²	124	133.9 Å²	133.9	65%	0.649	72%	0.721	S	S	*	*	H	α-helix	trans	-72.3	-32.3	-179.2	-68.9	171	0	0	0	112.7	L8 R14 L15	L8-L12 PolarHBondContact O-N 3.49Å; L12-R14 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 3.3Å
13	A	40.8	Very low	36.8	Very low	79 Å²	79	135.8 Å²	135.8	65%	0.653	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-16.3	177.5	0	0	0	0	0	114.7
14	R	35.7	Very low	36.6	Very low	213 Å²	213	136.7 Å²	136.7	80%	0.804	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-8.6	-179.1	-71.3	-172	-161.6	-150.3	-0.3	114.8	R11 L12	R11-R14 PolarHBondContact O-N 3.3Å; L12-R14 PolarHBondContact O-N 3.19Å
15	L	34.7	Very low	36.2	Very low	146 Å²	146	136.9 Å²	136.9	76%	0.764	75%	0.745	S	S	*	*	S	Bend	trans	-99.5	-1.9	-171.5	-72.9	167.6	0	0	0	114.6	L12	L12-L15 PolarHBondContact O-N 3.3Å
16	S	37.3	Very low	35.4	Very low	112 Å²	112	139.1 Å²	139.1	78%	0.783	76%	0.759	S	S	*	*			trans	-95.5	2	-177.1	-155.8	0	0	0	0	114.8	K18	S16-K18 PolarHBondContact O-N 3.16Å
17	H	38.8	Very low	35	Very low	178 Å²	178	136.5 Å²	136.5	82%	0.824	76%	0.764	S	S	*	*			trans	-88.1	85.7	173.1	-89.1	-71.1	0	0	0	110.4
18	K	34	Very low	34.5	Very low	192 Å²	192	135.6 Å²	135.6	84%	0.835	77%	0.768	S	S	*	*			trans	-153.1	97.5	156	-106.7	171.9	-169.9	-170.6	0	111.2	S16	S16-K18 PolarHBondContact O-N 3.16Å
19	S	31.6	Very low	34	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	78%	0.78	S	S	*	*			trans	37	119.2	140.7	60.9	0	0	0	0	120.1
20	V	32.6	Very low	33.1	Very low	149 Å²	149	142.7 Å²	142.7	90%	0.903	79%	0.794	S	S	*	*			trans	-132.3	123.7	143.5	-179.6	0	0	0	0	108.6
21	T	29.6	Very low	32.7	Very low	135 Å²	135	140 Å²	140	83%	0.828	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77.9	132.3	178.5	41.4	0	0	0	0	111
22	S	30.7	Very low	32.5	Very low	124 Å²	124	134.4 Å²	134.4	87%	0.867	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-94.6	129.8	173.2	175.1	0	0	0	0	110.6
23	S	28.1	Very low	31.8	Very low	116 Å²	116	134.4 Å²	134.4	81%	0.811	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-100.3	119.3	172.2	179.7	0	0	0	0	108.8
24	A	28.6	Very low	31.2	Very low	93 Å²	93	137 Å²	137	77%	0.769	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-77.5	131.5	176.4	0	0	0	0	0	111
25	A	29.9	Very low	31	Very low	97 Å²	97	135.5 Å²	135.5	80%	0.802	83%	0.832	S	S	*	*			trans	-111.5	120.6	167.1	0	0	0	0	0	109.1
26	T	27.1	Very low	30.7	Very low	142 Å²	142	131.9 Å²	131.9	87%	0.871	83%	0.83	S	S	*	*			trans	-79.8	126.5	-179.7	-37.4	0	0	0	0	109.8
27	V	32.8	Very low	30.8	Very low	138 Å²	138	132.6 Å²	132.6	84%	0.836	83%	0.832	S	S	*	*			trans	-105.1	126.9	170.6	175.9	0	0	0	0	109.4
28	S	26.9	Very low	30.7	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	83%	0.831	S	S	*	*			trans	-85	128.5	-176.9	144.5	0	0	0	0	111.4
29	C	25.4	Very low	30.7	Very low	126 Å²	126	124.9 Å²	124.9	85%	0.851	82%	0.822	S	S	*	*			trans	-77.1	146.7	170.7	-66.3	0	0	0	0	112.8
30	R	29.8	Very low	30.9	Very low	237 Å²	237	125 Å²	125	89%	0.894	82%	0.823	S	S	*	*			trans	-132.9	143.9	154.9	-84.7	-169.4	174.6	-162.1	-0.5	110.4
31	P	35	Very low	30.8	Very low	133 Å²	133	128.7 Å²	128.7	86%	0.864	82%	0.821	S	S	*	*			trans	-98.2	153.6	-174.4	37.7	-31.6	0	0	0	112.8
32	G	31.5	Very low	30.9	Very low	79 Å²	79	127.5 Å²	127.5	81%	0.814	82%	0.816	S	S	*	*			trans	-159.3	102.6	169.2	0	0	0	0	0	111.4
33	C	27	Very low	31.1	Very low	124 Å²	124	129.5 Å²	129.5	84%	0.838	82%	0.816	S	S	*	*			trans	-64.7	153.2	168.7	-93.8	0	0	0	0	112.1
34	C	28.6	Very low	31.5	Very low	133 Å²	133	128.1 Å²	128.1	90%	0.899	81%	0.806	S	S	*	*				178.4	147.7	115.3	-88.1	0	0	0	0	112.1
35	L	30.5	Very low	32	Very low	182 Å²	182	131.7 Å²	131.7	95%	0.953	81%	0.812	S	S	*	*			trans	-88.7	150.6	-163.5	-75.4	136.1	0	0	0	115.6
36	G	28.1	Very low	32.5	Very low	70 Å²	70	132.2 Å²	132.2	72%	0.722	81%	0.806	S	S	*	*			trans	114.2	159.9	136.3	0	0	0	0	0	117.5
37	P	41	Very low	33.4	Very low	128 Å²	128	130 Å²	130	83%	0.831	80%	0.802	S	S	*	*			cis	-127	164.1	-29.3	37	-21.2	0	0	0	113.9
38	S	36.2	Very low	34.3	Very low	114 Å²	114	131.9 Å²	131.9	80%	0.797	80%	0.802	S	S	*	*			trans	-0.3	115.1	155.2	179.1	0	0	0	0	118.6
39	S	34	Very low	35.8	Very low	93 Å²	93	134.4 Å²	134.4	65%	0.65	81%	0.807	S	S	*	*			trans	-130.8	99.5	143.5	75.8	0	0	0	0	109.3	R41	S39-R41 PolarHBondContact O-N 3.3Å; S39-R41 VanDerWaalsContact O-N 3.16Å
40	S	35.3	Very low	38.4	Very low	108 Å²	108	136.3 Å²	136.3	76%	0.755	80%	0.796	S	S	*	*			trans	-47.8	112.7	159	40.6	0	0	0	0	110.2
41	R	31.5	Very low	40.9	Very low	227 Å²	227	128.6 Å²	128.6	86%	0.857	78%	0.779	S	S	*	*			trans	-120.9	90.5	168.7	-146.1	-178	-73.3	-170.4	-1	107.2	S39	S39-R41 PolarHBondContact O-N 3.3Å; S39-R41 VanDerWaalsContact O-N 3.16Å
42	C	31.8	Very low	43.5	Very low	109 Å²	109	123.2 Å²	123.2	74%	0.736	74%	0.743	S	S	*	*			trans	-86.5	154.5	164.3	-61	0	0	0	0	108.6
43	I	34.7	Very low	45.9	Very low	167 Å²	167	123.4 Å²	123.4	86%	0.856	72%	0.723	S	S	*	*			trans	82.9	116.8	170.3	-47.8	162.9	0	0	0	111.4
44	S	35.7	Very low	48.7	Very low	87 Å²	87	118.8 Å²	118.8	61%	0.608	69%	0.689	S	S	*	*			cis	-160	124.4	19.3	43.4	0	0	0	0	109.2	T46	S44-T46 PolarHBondContact O-N 3.42Å; S44-T46 VanDerWaalsContact O-N 3.12Å
45	D	40.1	Very low	51.5	Low	168 Å²	168	112.6 Å²	112.6	90%	0.898	65%	0.647	S	S	*	*			trans	-74.5	94.9	162.6	-98.7	-30.2	0	0	0	108.2	A47	D45-A47 PolarHBondContact O-N 3.47Å
46	T	40.5	Very low	54.2	Low	108 Å²	108	108.5 Å²	108.5	66%	0.663	62%	0.622	S	S	*	*			trans	-78.3	103.2	162.6	45.1	0	0	0	0	107.8	S44 E48	S44-T46 PolarHBondContact O-N 3.42Å; S44-T46 VanDerWaalsContact O-N 3.12Å; T46-E48 PolarHBondContact O-N 3.21Å
47	A	45.5	Very low	57	Low	95 Å²	95	110.3 Å²	110.3	79%	0.785	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	29.9	174.5	0	0	0	0	0	113.9	D45	D45-A47 PolarHBondContact O-N 3.47Å
48	E	51.1	Low	59.3	Low	178 Å²	178	108.5 Å²	108.5	83%	0.832	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	8.6	-167.1	-77.9	-166.8	157.2	0	0	116.7	T46	T46-E48 PolarHBondContact O-N 3.21Å
49	D	58.2	Low	61.8	Low	157 Å²	157	103.3 Å²	103.3	84%	0.84	56%	0.562	S	S	*	*			trans	-135.4	31.1	-178.5	-126.1	0.9	0	0	0	114.7
50	R	79.3	Confident	64.5	Low	165 Å²	165	102.3 Å²	102.3	62%	0.623	55%	0.553	S	S	*	*			trans	-87.6	124	173.4	-60.2	-172.3	-179.1	173.6	1.6	110.9	E61	R50-E61 VanDerWaalsContact CB-CD 3.48Å; R50-E61 HydrophobicContact CB-CG 4.33Å; R50-E61 VanDerWaalsContact CB-OE1 3.25Å; R50-E61 WeakPolarHBondContact CB-OE1 3.41Å; R50-E61 PolarHBondContact O-N 3.13Å
51	S	83.8	Confident	67.1	Low	76 Å²	76	99.4 Å²	99.4	53%	0.531	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.6	-177.6	69.1	0	0	0	0	111.4	V59	S51-V59 CarbonylContact C-O 3.57Å; S51-V59 WeakPolarHBondContact CA-O 3.4Å
52	T	89	Confident	69.6	Low	20 Å²	20	92.2 Å²	92.2	12%	0.123	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	179.2	-178.5	-172.9	0	0	0	0	110.2	T58 V59 E61 K64 T222	T52-T58 WeakPolarHBondContact O-CA 3.48Å; T52-V59 HydrophobicContact CG2-CG2 4.15Å; T52-V59 PolarHBondContact N-O 3.04Å; T52-V59 PolarHBondContact O-N 3.16Å; T52-V59 VanDerWaalsContact O-O 3.09Å; T52-E61 HydrophobicContact CG2-CB 4.37Å; T52-E61 HydrophobicContact CG2-CG 3.86Å; T52-K64 HydrophobicContact CG2-CB 3.53Å; T52-K64 HydrophobicContact CG2-CD 3.32Å; T52-K64 HydrophobicContact CG2-CG 4.03Å; T52-K64 WeakPolarHBondContact OG1-CD 3.48Å; T52-K64 PolarHBondContact OG1-NZ 3.37Å; T52-T222 HydrophobicContact CG2-CG2 4.09Å
53	H	83.1	Confident	72.3	Confident	82 Å²	82	90.5 Å²	90.5	38%	0.38	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.9	-179.2	-63.6	-53.9	0	0	0	112.8	E57 T58 K64	H53-E57 WeakPolarHBondContact CA-O 3.39Å; H53-T58 PolarHBondContact ND1-OG1 3.42Å; H53-K64 WeakPolarHBondContact O-CD 3.39Å; H53-K64 VanDerWaalsContact O-CE 3.31Å; H53-K64 WeakPolarHBondContact O-CE 3.24Å; H53-K64 PolarHBondContact O-NZ 3.43Å
54	F	85.4	Confident	74.9	Confident	28 Å²	28	83.2 Å²	83.2	12%	0.123	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	96.6	164.1	179.3	-94	0	0	0	107.6	F56 E57 V59 R67 V68 V71 Y282	F54-F56 PolarHBondContact O-N 3.45Å; F54-E57 PolarHBondContact N-O 3.19Å; F54-E57 PolarHBondContact O-N 2.98Å; F54-V59 HydrophobicContact CB-CG1 4.2Å; F54-V59 HydrophobicContact CB-CG2 3.76Å; F54-R67 HydrophobicContact CD2-CB 3.78Å; F54-R67 HydrophobicContact CE2-CB 3.54Å; F54-R67 HydrophobicContact CG-CB 4.44Å; F54-R67 HydrophobicContact CZ-CB 4.02Å; F54-V68 HydrophobicContact CD2-CG2 4.05Å; F54-V68 HydrophobicContact CE2-CG2 4.07Å; F54-V71 HydrophobicContact CE2-CG2 4.41Å; F54-V71 HydrophobicContact CZ-CG2 4.08Å; F54-Y282 HydrophobicContact CD1-CD2 4.02Å; F54-Y282 HydrophobicContact CD1-CE2 4.35Å; F54-Y282 AromaticContact CD2-CD2 3.8Å; F54-Y282 HydrophobicContact CD2-CD2 3.8Å; F54-Y282 AromaticContact CD2-CE2 3.4Å; F54-Y282 HydrophobicContact CD2-CE2 3.4Å; F54-Y282 AromaticContact CE1-CD2 3.68Å; F54-Y282 HydrophobicContact CE1-CD2 3.68Å; F54-Y282 HydrophobicContact CE1-CE2 4.3Å; F54-Y282 HydrophobicContact CE1-CG 4.35Å; F54-Y282 AromaticContact CE2-CD2 3.43Å; F54-Y282 HydrophobicContact CE2-CD2 3.43Å; F54-Y282 VanDerWaalsContact CE2-CD2 3.43Å; F54-Y282 AromaticContact CE2-CE2 3.33Å; F54-Y282 HydrophobicContact CE2-CE2 3.33Å; F54-Y282 HydrophobicContact CE2-CG 4.1Å; F54-Y282 AromaticContact CE2-CZ 3.95Å; F54-Y282 HydrophobicContact CG-CD2 4.07Å; F54-Y282 AromaticContact CG-CE2 3.93Å; F54-Y282 HydrophobicContact CG-CE2 3.93Å; F54-Y282 AromaticContact CZ-CD2 3.37Å; F54-Y282 HydrophobicContact CZ-CD2 3.37Å; F54-Y282 AromaticContact CZ-CE2 3.82Å; F54-Y282 HydrophobicContact CZ-CE2 3.82Å; F54-Y282 AromaticContact CZ-CG 3.83Å; F54-Y282 HydrophobicContact CZ-CG 3.83Å
55	G	87.6	Confident	77.3	Confident	3 Å²	3	81.2 Å²	81.2	3%	0.031	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-124.6	-168.6	0	0	0	0	0	110.9	E285 K289	G55-E285 VanDerWaalsContact CA-CB 3.42Å; G55-E285 WeakPolarHBondContact CA-OE2 3.37Å; G55-K289 WeakPolarHBondContact O-CE 3.5Å; G55-K289 WeakPolarHBondContact O-CG 3.44Å
56	F	87.3	Confident	79.6	Confident	96 Å²	96	79.9 Å²	79.9	42%	0.421	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.4	175.9	-63.7	-19.3	0	0	0	114.7	F54 F263 E285 R288 K289	F54-F56 PolarHBondContact O-N 3.45Å; F56-F263 HydrophobicContact CE2-CE1 4.25Å; F56-F263 HydrophobicContact CE2-CZ 4.43Å; F56-F263 HydrophobicContact CZ-CZ 4.24Å; F56-E285 HydrophobicContact CD1-CB 3.96Å; F56-E285 HydrophobicContact CD1-CG 4.12Å; F56-E285 HydrophobicContact CD2-CG 3.77Å; F56-E285 HydrophobicContact CE1-CB 3.99Å; F56-E285 HydrophobicContact CE1-CG 4.16Å; F56-E285 HydrophobicContact CE2-CG 3.82Å; F56-E285 HydrophobicContact CG-CB 4.23Å; F56-E285 HydrophobicContact CG-CG 3.94Å; F56-E285 HydrophobicContact CZ-CB 4.29Å; F56-E285 HydrophobicContact CZ-CG 4.01Å; F56-E285 PolarHBondContact N-OE2 3.09Å; F56-R288 HydrophobicContact CE1-CB 4.04Å; F56-R288 HydrophobicContact CZ-CB 4.3Å; F56-K289 HydrophobicContact CD1-CG 4.32Å
57	E	86.8	Confident	81.9	Confident	108 Å²	108	78.1 Å²	78.1	51%	0.505	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.7	176.4	-62.2	-179	-175.1	0	0	111.3	H53 F54 V59 R67	H53-E57 WeakPolarHBondContact CA-O 3.39Å; F54-E57 PolarHBondContact N-O 3.19Å; F54-E57 PolarHBondContact O-N 2.98Å; E57-V59 HydrophobicContact CB-CG1 4.32Å; E57-R67 IonicContact OE2-CZ 3.62Å; E57-R67 IonicContact OE2-NH1 3.79Å; E57-R67 PolarHBondContact OE2-NH1 3.34Å
58	T	89	Confident	83.7	Confident	89 Å²	89	74.3 Å²	74.3	55%	0.546	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.4	168.6	-56.8	0	0	0	0	108.3	T52 H53	T52-T58 WeakPolarHBondContact O-CA 3.48Å; H53-T58 PolarHBondContact ND1-OG1 3.42Å
59	V	88.2	Confident	85.4	Confident	5 Å²	5	69 Å²	69	3%	0.03	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.5	-173.5	-62.2	0	0	0	0	110.4	S51 T52 F54 E57 K64	S51-V59 CarbonylContact C-O 3.57Å; S51-V59 WeakPolarHBondContact CA-O 3.4Å; T52-V59 HydrophobicContact CG2-CG2 4.15Å; T52-V59 PolarHBondContact N-O 3.04Å; T52-V59 PolarHBondContact O-N 3.16Å; T52-V59 VanDerWaalsContact O-O 3.09Å; F54-V59 HydrophobicContact CB-CG1 4.2Å; F54-V59 HydrophobicContact CB-CG2 3.76Å; E57-V59 HydrophobicContact CB-CG1 4.32Å; V59-K64 HydrophobicContact CG2-CB 3.92Å
60	P	91.6	Very high	86.7	Confident	72 Å²	72	67.9 Å²	67.9	47%	0.468	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	144.1	168.7	-22.8	34.1	0	0	0	111.5	A62 E63 K64	P60-A62 VanDerWaalsContact C-N 3.32Å; P60-A62 PolarHBondContact O-N 2.96Å; P60-E63 HydrophobicContact CB-CB 4.39Å; P60-E63 WeakPolarHBondContact O-CA 3.49Å; P60-E63 WeakPolarHBondContact O-CB 3.36Å; P60-E63 PolarHBondContact O-N 2.96Å; P60-K64 PolarHBondContact O-N 3.18Å; P60-K64 VanDerWaalsContact O-N 3.11Å
61	E	88.8	Confident	86.9	Confident	47 Å²	47	61 Å²	61	22%	0.22	32%	0.319	C	S	.	.	H	α-helix	trans	-55.3	-44.9	-179.6	-74.2	174.1	-173.3	0	0	112.9	R50 T52 E63 K64 T222 H223	R50-E61 VanDerWaalsContact CB-CD 3.48Å; R50-E61 HydrophobicContact CB-CG 4.33Å; R50-E61 VanDerWaalsContact CB-OE1 3.25Å; R50-E61 WeakPolarHBondContact CB-OE1 3.41Å; R50-E61 PolarHBondContact O-N 3.13Å; T52-E61 HydrophobicContact CG2-CB 4.37Å; T52-E61 HydrophobicContact CG2-CG 3.86Å; E61-E63 PolarHBondContact O-N 3.37Å; E61-E63 VanDerWaalsContact O-N 3.08Å; E61-K64 PolarHBondContact O-N 3.2Å; E61-K64 VanDerWaalsContact O-N 3.13Å; E61-T222 HydrophobicContact CB-CG2 3.89Å; E61-T222 HydrophobicContact CG-CG2 3.66Å; E61-H223 VanDerWaalsContact CD-CE1 3.48Å; E61-H223 VanDerWaalsContact CD-NE2 3.29Å; E61-H223 IonicContact OE1-CE1 2.78Å; E61-H223 IonicContact OE1-NE2 2.68Å; E61-H223 PolarHBondContact OE1-NE2 2.94Å; E61-H223 VanDerWaalsContact OE1-NE2 3.14Å; E61-H223 IonicContact OE2-CE1 3.71Å; E61-H223 PolarHBondContact OE2-CE1 3.19Å; E61-H223 VanDerWaalsContact OE2-CE1 3.3Å; E61-H223 IonicContact OE2-NE2 2.71Å; E61-H223 PolarHBondContact OE2-NE2 2.98Å
62	A	85	Confident	86.8	Confident	76 Å²	76	58.8 Å²	58.8	63%	0.628	30%	0.3	S	S	*	.	H	α-helix	trans	-60.7	-21.1	177.1	0	0	0	0	0	113.7	P60	P60-A62 VanDerWaalsContact C-N 3.32Å; P60-A62 PolarHBondContact O-N 2.96Å
63	E	88.4	Confident	86.5	Confident	73 Å²	73	62 Å²	62	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-89.6	-36.5	177.1	-163.7	-178.7	170.3	0	0	112.2	P60 E61 A65 K66 R67	P60-E63 HydrophobicContact CB-CB 4.39Å; P60-E63 WeakPolarHBondContact O-CA 3.49Å; P60-E63 WeakPolarHBondContact O-CB 3.36Å; P60-E63 PolarHBondContact O-N 2.96Å; E61-E63 PolarHBondContact O-N 3.37Å; E61-E63 VanDerWaalsContact O-N 3.08Å; E63-A65 PolarHBondContact O-N 2.81Å; E63-K66 PolarHBondContact O-N 2.99Å; E63-R67 HydrophobicContact CG-CG 4.23Å; E63-R67 WeakPolarHBondContact O-CG 3.48Å; E63-R67 PolarHBondContact O-N 2.76Å; E63-R67 IonicContact OE1-CZ 3.81Å; E63-R67 IonicContact OE1-NE 3.38Å; E63-R67 PolarHBondContact OE1-NE 2.82Å; E63-R67 IonicContact OE1-NH2 3.14Å; E63-R67 PolarHBondContact OE1-NH2 3.44Å; E63-R67 IonicContact OE2-NH2 2.87Å
64	K	88.1	Confident	86.4	Confident	14 Å²	14	63.3 Å²	63.3	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-54.8	-54	-179.8	177	177	171.2	174.8	0	111.7	T52 H53 V59 P60 E61 K66 R67 V68 V221 T222	T52-K64 HydrophobicContact CG2-CB 3.53Å; T52-K64 HydrophobicContact CG2-CD 3.32Å; T52-K64 HydrophobicContact CG2-CG 4.03Å; T52-K64 WeakPolarHBondContact OG1-CD 3.48Å; T52-K64 PolarHBondContact OG1-NZ 3.37Å; H53-K64 WeakPolarHBondContact O-CD 3.39Å; H53-K64 VanDerWaalsContact O-CE 3.31Å; H53-K64 WeakPolarHBondContact O-CE 3.24Å; H53-K64 PolarHBondContact O-NZ 3.43Å; V59-K64 HydrophobicContact CG2-CB 3.92Å; P60-K64 PolarHBondContact O-N 3.18Å; P60-K64 VanDerWaalsContact O-N 3.11Å; E61-K64 PolarHBondContact O-N 3.2Å; E61-K64 VanDerWaalsContact O-N 3.13Å; K64-K66 PolarHBondContact O-N 3.19Å; K64-R67 PolarHBondContact O-N 3.39Å; K64-V68 HydrophobicContact CG-CG2 4.15Å; K64-V68 WeakPolarHBondContact O-CG2 3.4Å; K64-V68 PolarHBondContact O-N 2.92Å; K64-V221 VanDerWaalsContact CE-O 3.24Å; K64-V221 WeakPolarHBondContact CE-O 3.4Å; K64-V221 PolarHBondContact NZ-O 2.85Å; K64-T222 HydrophobicContact CD-CG2 4.31Å
65	A	85.5	Confident	86.1	Confident	45 Å²	45	62.2 Å²	62.2	37%	0.372	32%	0.319	S	S	.	.	H	α-helix	trans	-55.8	-41.4	-178.3	0	0	0	0	0	111.8	E63 Y69	E63-A65 PolarHBondContact O-N 2.81Å; A65-Y69 VanDerWaalsContact O-CB 3.3Å; A65-Y69 WeakPolarHBondContact O-CB 3.35Å; A65-Y69 PolarHBondContact O-N 3.29Å
66	K	88.8	Confident	85.7	Confident	141 Å²	141	62.3 Å²	62.3	61%	0.613	32%	0.32	S	S	*	.	H	α-helix	trans	-66.8	-40.4	177.5	-65.7	176.1	-175.4	169.5	0	112.6	E63 K64 K70	E63-K66 PolarHBondContact O-N 2.99Å; K64-K66 PolarHBondContact O-N 3.19Å; K66-K70 WeakPolarHBondContact O-CG 3.32Å; K66-K70 PolarHBondContact O-N 3.23Å
67	R	88.9	Confident	85.3	Confident	71 Å²	71	65.8 Å²	65.8	27%	0.268	34%	0.337	S	S	.	.	H	α-helix	trans	-67.6	-45.8	178	-71.3	-177.5	178.4	-158.8	8.9	111.2	F54 E57 E63 K64 Y69 K70 V71	F54-R67 HydrophobicContact CD2-CB 3.78Å; F54-R67 HydrophobicContact CE2-CB 3.54Å; F54-R67 HydrophobicContact CG-CB 4.44Å; F54-R67 HydrophobicContact CZ-CB 4.02Å; E57-R67 IonicContact OE2-CZ 3.62Å; E57-R67 IonicContact OE2-NH1 3.79Å; E57-R67 PolarHBondContact OE2-NH1 3.34Å; E63-R67 HydrophobicContact CG-CG 4.23Å; E63-R67 WeakPolarHBondContact O-CG 3.48Å; E63-R67 PolarHBondContact O-N 2.76Å; E63-R67 IonicContact OE1-CZ 3.81Å; E63-R67 IonicContact OE1-NE 3.38Å; E63-R67 PolarHBondContact OE1-NE 2.82Å; E63-R67 IonicContact OE1-NH2 3.14Å; E63-R67 PolarHBondContact OE1-NH2 3.44Å; E63-R67 IonicContact OE2-NH2 2.87Å; K64-R67 PolarHBondContact O-N 3.39Å; R67-Y69 PolarHBondContact O-N 2.94Å; R67-K70 PolarHBondContact O-N 3.31Å; R67-V71 WeakPolarHBondContact O-CG2 3.25Å; R67-V71 PolarHBondContact O-N 3.09Å
68	V	84.2	Confident	85	Confident	15 Å²	15	64.8 Å²	64.8	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-47.2	175.7	172	0	0	0	0	110.6	F54 K64 K70 V71 F72 N220 Y282	F54-V68 HydrophobicContact CD2-CG2 4.05Å; F54-V68 HydrophobicContact CE2-CG2 4.07Å; K64-V68 HydrophobicContact CG-CG2 4.15Å; K64-V68 WeakPolarHBondContact O-CG2 3.4Å; K64-V68 PolarHBondContact O-N 2.92Å; V68-K70 VanDerWaalsContact C-N 3.31Å; V68-K70 PolarHBondContact O-N 3.19Å; V68-V71 WeakPolarHBondContact O-CB 3.45Å; V68-V71 PolarHBondContact O-N 3.48Å; V68-V71 VanDerWaalsContact O-N 3.14Å; V68-F72 HydrophobicContact CG1-CD2 3.77Å; V68-F72 HydrophobicContact CG1-CE2 3.71Å; V68-F72 VanDerWaalsContact O-CD2 3.29Å; V68-F72 WeakPolarHBondContact O-CD2 3.41Å; V68-F72 PolarHBondContact O-N 3.28Å; V68-F72 VanDerWaalsContact O-N 3.11Å; V68-N220 HydrophobicContact CG1-CB 3.84Å; V68-Y282 WeakPolarHBondContact CG2-OH 3.37Å
69	Y	87.3	Confident	84.4	Confident	66 Å²	66	61.3 Å²	61.3	26%	0.259	31%	0.309	S	S	.	.	H	α-helix	trans	-53.8	-48.2	176.8	-175	-79.1	0	0	0	111.7	A65 R67 V71 F72 E73 N172	A65-Y69 VanDerWaalsContact O-CB 3.3Å; A65-Y69 WeakPolarHBondContact O-CB 3.35Å; A65-Y69 PolarHBondContact O-N 3.29Å; R67-Y69 PolarHBondContact O-N 2.94Å; Y69-V71 PolarHBondContact O-N 3.34Å; Y69-F72 PolarHBondContact O-N 3.41Å; Y69-E73 HydrophobicContact CD1-CB 4.43Å; Y69-E73 HydrophobicContact CE1-CB 4.27Å; Y69-E73 WeakPolarHBondContact O-CB 3.42Å; Y69-E73 PolarHBondContact O-N 3.45Å; Y69-N172 HydrophobicContact CE2-CB 4.24Å; Y69-N172 PolarHBondContact O-ND2 2.78Å
70	K	85.7	Confident	83.9	Confident	133 Å²	133	63.8 Å²	63.8	58%	0.578	32%	0.321	S	S	*	.	H	α-helix	trans	-63	-38.4	179.1	-74.2	178.1	-179.6	-177.6	0	113.1	K66 R67 V68 E73 N74	K66-K70 WeakPolarHBondContact O-CG 3.32Å; K66-K70 PolarHBondContact O-N 3.23Å; R67-K70 PolarHBondContact O-N 3.31Å; V68-K70 VanDerWaalsContact C-N 3.31Å; V68-K70 PolarHBondContact O-N 3.19Å; K70-E73 PolarHBondContact O-N 3.48Å; K70-N74 WeakPolarHBondContact O-CB 3.49Å; K70-N74 VanDerWaalsContact O-CG 3.24Å; K70-N74 PolarHBondContact O-N 3.43Å; K70-N74 PolarHBondContact O-ND2 2.97Å
71	V	81.6	Confident	83.4	Confident	20 Å²	20	63.7 Å²	63.7	12%	0.121	32%	0.319	C	S	.	.	H	α-helix	trans	-57.2	-52.9	174.2	167.9	0	0	0	0	109.4	F54 R67 V68 Y69 E73 N74 V75 Y282	F54-V71 HydrophobicContact CE2-CG2 4.41Å; F54-V71 HydrophobicContact CZ-CG2 4.08Å; R67-V71 WeakPolarHBondContact O-CG2 3.25Å; R67-V71 PolarHBondContact O-N 3.09Å; V68-V71 WeakPolarHBondContact O-CB 3.45Å; V68-V71 PolarHBondContact O-N 3.48Å; V68-V71 VanDerWaalsContact O-N 3.14Å; Y69-V71 PolarHBondContact O-N 3.34Å; V71-E73 PolarHBondContact O-N 2.98Å; V71-N74 PolarHBondContact O-N 3.42Å; V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 3.43Å; V71-Y282 HydrophobicContact CG1-CD1 4.14Å; V71-Y282 HydrophobicContact CG2-CD1 4.43Å
72	F	81.7	Confident	82.8	Confident	30 Å²	30	61.8 Å²	61.8	13%	0.132	31%	0.311	C	S	.	.	H	α-helix	trans	-68.8	-33.1	-178.4	-74.7	-74.1	0	0	0	114	V68 Y69 V75 A76 Y79 N220	V68-F72 HydrophobicContact CG1-CD2 3.77Å; V68-F72 HydrophobicContact CG1-CE2 3.71Å; V68-F72 VanDerWaalsContact O-CD2 3.29Å; V68-F72 WeakPolarHBondContact O-CD2 3.41Å; V68-F72 PolarHBondContact O-N 3.28Å; V68-F72 VanDerWaalsContact O-N 3.11Å; Y69-F72 PolarHBondContact O-N 3.41Å; F72-V75 HydrophobicContact CD1-CG2 4.28Å; F72-V75 PolarHBondContact O-N 3.44Å; F72-A76 WeakPolarHBondContact O-CA 3.28Å; F72-A76 WeakPolarHBondContact O-CB 3.5Å; F72-A76 PolarHBondContact O-N 3.3Å; F72-Y79 HydrophobicContact CD1-CD2 4.46Å; F72-Y79 HydrophobicContact CD1-CE2 4.27Å; F72-Y79 HydrophobicContact CE1-CD2 4.44Å; F72-Y79 AromaticContact CE1-CE2 3.86Å; F72-Y79 HydrophobicContact CE1-CE2 3.86Å; F72-N220 HydrophobicContact CE2-CB 4.24Å
73	E	84.1	Confident	82.6	Confident	88 Å²	88	58.7 Å²	58.7	41%	0.411	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-44.7	172.8	-176.4	173.9	-136.1	0	0	111.5	Y69 K70 V71 N172	Y69-E73 HydrophobicContact CD1-CB 4.43Å; Y69-E73 HydrophobicContact CE1-CB 4.27Å; Y69-E73 WeakPolarHBondContact O-CB 3.42Å; Y69-E73 PolarHBondContact O-N 3.45Å; K70-E73 PolarHBondContact O-N 3.48Å; V71-E73 PolarHBondContact O-N 2.98Å; E73-N172 PolarHBondContact N-ND2 2.78Å
74	N	81.4	Confident	82.4	Confident	110 Å²	110	57.6 Å²	57.6	59%	0.588	28%	0.28	S	S	*	.	H	α-helix	trans	-68.1	-38	178.4	-70.1	-22.1	0	0	0	112.6	K70 V71	K70-N74 WeakPolarHBondContact O-CB 3.49Å; K70-N74 VanDerWaalsContact O-CG 3.24Å; K70-N74 PolarHBondContact O-N 3.43Å; K70-N74 PolarHBondContact O-ND2 2.97Å; V71-N74 PolarHBondContact O-N 3.42Å
75	V	79.2	Confident	81.8	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-91.4	-5.9	-177.4	-54.9	0	0	0	0	114.1	V71 F72 Q77 K78 Y79 M82 D276	V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 3.43Å; F72-V75 HydrophobicContact CD1-CG2 4.28Å; F72-V75 PolarHBondContact O-N 3.44Å; V75-Q77 VanDerWaalsContact C-N 3.3Å; V75-Q77 PolarHBondContact O-N 3.48Å; V75-Q77 VanDerWaalsContact O-N 3.17Å; V75-K78 CarbonylContact O-C 3.44Å; V75-K78 VanDerWaalsContact O-C 3.26Å; V75-K78 WeakPolarHBondContact O-CA 3.32Å; V75-K78 PolarHBondContact O-N 2.95Å; V75-Y79 HydrophobicContact CG2-CD2 4.3Å; V75-Y79 WeakPolarHBondContact O-CA 3.49Å; V75-Y79 PolarHBondContact O-N 2.82Å; V75-M82 HydrophobicContact CG1-SD 4.49Å; V75-M82 HydrophobicContact CG2-CE 4.25Å; V75-M82 HydrophobicContact CG2-SD 4.48Å; V75-D276 VanDerWaalsContact CG1-OD2 3.27Å; V75-D276 WeakPolarHBondContact CG1-OD2 3.33Å
76	A	78.4	Confident	81.3	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.041	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-48.5	-51.6	-174.1	0	0	0	0	0	112	F72 K78 Y79 E174 M175 M178	F72-A76 WeakPolarHBondContact O-CA 3.28Å; F72-A76 WeakPolarHBondContact O-CB 3.5Å; F72-A76 PolarHBondContact O-N 3.3Å; A76-K78 PolarHBondContact O-N 2.8Å; A76-Y79 WeakPolarHBondContact O-CB 3.39Å; A76-Y79 PolarHBondContact O-N 2.73Å; A76-E174 HydrophobicContact CB-CB 4.45Å; A76-M175 HydrophobicContact CB-CG 4.46Å; A76-M175 HydrophobicContact CB-SD 3.63Å; A76-M178 HydrophobicContact CB-SD 3.83Å
77	Q	79.1	Confident	80.9	Confident	169 Å²	169	50.2 Å²	50.2	79%	0.79	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-63.6	-24.6	179.5	-68.6	-173.7	-0.7	0	0	114.3	V75 M178	V75-Q77 VanDerWaalsContact C-N 3.3Å; V75-Q77 PolarHBondContact O-N 3.48Å; V75-Q77 VanDerWaalsContact O-N 3.17Å; Q77-M178 HydrophobicContact CG-SD 4.26Å; Q77-M178 PolarHBondContact N-SD 3.36Å
78	K	79.6	Confident	80.6	Confident	88 Å²	88	53.3 Å²	53.3	38%	0.383	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-111.4	6.3	-175.7	-56.8	-175.4	-171.3	-179.1	0	112.5	V75 A76 D80 V81 M82 A274	V75-K78 CarbonylContact O-C 3.44Å; V75-K78 VanDerWaalsContact O-C 3.26Å; V75-K78 WeakPolarHBondContact O-CA 3.32Å; V75-K78 PolarHBondContact O-N 2.95Å; A76-K78 PolarHBondContact O-N 2.8Å; K78-D80 VanDerWaalsContact C-N 3.32Å; K78-D80 PolarHBondContact O-N 3.09Å; K78-V81 WeakPolarHBondContact O-CB 3Å; K78-V81 PolarHBondContact O-N 3.31Å; K78-M82 WeakPolarHBondContact O-CB 3.46Å; K78-M82 PolarHBondContact O-N 2.83Å; K78-A274 HydrophobicContact CD-CB 3.71Å; K78-A274 PolarHBondContact NZ-O 3.48Å
79	Y	77.6	Confident	80.8	Confident	16 Å²	16	53.6 Å²	53.6	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-41.8	-170.1	-177.5	-104	0	0	0	112	F72 V75 A76 M82 N83 T117 M175	F72-Y79 HydrophobicContact CD1-CD2 4.46Å; F72-Y79 HydrophobicContact CD1-CE2 4.27Å; F72-Y79 HydrophobicContact CE1-CD2 4.44Å; F72-Y79 AromaticContact CE1-CE2 3.86Å; F72-Y79 HydrophobicContact CE1-CE2 3.86Å; V75-Y79 HydrophobicContact CG2-CD2 4.3Å; V75-Y79 WeakPolarHBondContact O-CA 3.49Å; V75-Y79 PolarHBondContact O-N 2.82Å; A76-Y79 WeakPolarHBondContact O-CB 3.39Å; A76-Y79 PolarHBondContact O-N 2.73Å; Y79-M82 HydrophobicContact CD2-CE 3.51Å; Y79-M82 HydrophobicContact CE2-CE 3.64Å; Y79-M82 WeakPolarHBondContact O-CB 3.18Å; Y79-M82 PolarHBondContact O-N 3.27Å; Y79-N83 VanDerWaalsContact CD1-ND2 3.33Å; Y79-N83 WeakPolarHBondContact CD1-ND2 3.25Å; Y79-N83 WeakPolarHBondContact CE1-ND2 3.19Å; Y79-N83 VanDerWaalsContact CZ-ND2 3.31Å; Y79-N83 PolarHBondContact O-N 2.95Å; Y79-N83 PolarHBondContact O-ND2 3.08Å; Y79-T117 HydrophobicContact CD1-CG2 3.9Å; Y79-T117 HydrophobicContact CE1-CG2 4.37Å; Y79-M175 HydrophobicContact CD1-CE 3.99Å; Y79-M175 HydrophobicContact CD2-CE 4.14Å; Y79-M175 HydrophobicContact CE1-CE 4.19Å; Y79-M175 HydrophobicContact CE2-CE 4.41Å; Y79-M175 HydrophobicContact CG-CE 3.93Å
80	D	77.7	Confident	80.9	Confident	56 Å²	56	53.4 Å²	53.4	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-67	-40	176.6	-76.2	-9.7	0	0	0	111.6	K78 M82 N83 D84 R182	K78-D80 VanDerWaalsContact C-N 3.32Å; K78-D80 PolarHBondContact O-N 3.09Å; D80-M82 VanDerWaalsContact C-N 3.33Å; D80-M82 PolarHBondContact O-N 2.88Å; D80-N83 PolarHBondContact O-N 2.88Å; D80-D84 WeakPolarHBondContact O-CB 3.36Å; D80-D84 PolarHBondContact O-N 2.92Å; D80-R182 IonicContact OD2-NH1 2.78Å; D80-R182 PolarHBondContact OD2-NH1 2.98Å; D80-R182 VanDerWaalsContact OD2-NH1 3.12Å
81	V	80.1	Confident	81.1	Confident	70 Å²	70	47.5 Å²	47.5	42%	0.424	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-42.1	175.5	178.6	0	0	0	0	110.8	K78 D84 A85 I273	K78-V81 WeakPolarHBondContact O-CB 3Å; K78-V81 PolarHBondContact O-N 3.31Å; V81-D84 PolarHBondContact O-N 2.84Å; V81-A85 VanDerWaalsContact O-CB 3.31Å; V81-A85 WeakPolarHBondContact O-CB 3.28Å; V81-A85 PolarHBondContact O-N 2.91Å; V81-I273 HydrophobicContact CG1-CG2 3.49Å; V81-I273 VanDerWaalsContact CG1-CG2 3.49Å
82	M	77.4	Confident	81.6	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.039	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-51.7	174.6	176.9	178.7	80	0	0	111	V75 K78 Y79 D80 D84 A85 M86 Y280	V75-M82 HydrophobicContact CG1-SD 4.49Å; V75-M82 HydrophobicContact CG2-CE 4.25Å; V75-M82 HydrophobicContact CG2-SD 4.48Å; K78-M82 WeakPolarHBondContact O-CB 3.46Å; K78-M82 PolarHBondContact O-N 2.83Å; Y79-M82 HydrophobicContact CD2-CE 3.51Å; Y79-M82 HydrophobicContact CE2-CE 3.64Å; Y79-M82 WeakPolarHBondContact O-CB 3.18Å; Y79-M82 PolarHBondContact O-N 3.27Å; D80-M82 VanDerWaalsContact C-N 3.33Å; D80-M82 PolarHBondContact O-N 2.88Å; M82-D84 PolarHBondContact O-N 2.72Å; M82-A85 PolarHBondContact O-N 3.32Å; M82-M86 HydrophobicContact CE-CE 4.3Å; M82-M86 HydrophobicContact CG-CE 3.55Å; M82-M86 HydrophobicContact CG-SD 3.35Å; M82-M86 WeakPolarHBondContact CG-SD 3.31Å; M82-M86 WeakPolarHBondContact O-CB 3.24Å; M82-M86 WeakPolarHBondContact O-CE 3.5Å; M82-M86 WeakPolarHBondContact O-CG 3.34Å; M82-M86 PolarHBondContact O-N 2.64Å; M82-M86 HydrophobicContact SD-CE 4.41Å; M82-M86 HydrophobicContact SD-SD 4.29Å; M82-Y280 VanDerWaalsContact CA-OH 3.24Å; M82-Y280 WeakPolarHBondContact CA-OH 3.41Å; M82-Y280 HydrophobicContact CB-CE1 4.22Å; M82-Y280 HydrophobicContact CB-CE2 4.35Å; M82-Y280 WeakPolarHBondContact CB-OH 3.42Å; M82-Y280 HydrophobicContact CG-CD1 4.28Å; M82-Y280 HydrophobicContact CG-CE1 3.62Å; M82-Y280 HydrophobicContact CG-CE2 3.99Å; M82-Y280 VanDerWaalsContact CG-CZ 3.47Å; M82-Y280 HydrophobicContact SD-CD2 4.43Å; M82-Y280 HydrophobicContact SD-CE2 4.15Å
83	N	80.9	Confident	82.2	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.053	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-41.9	177.6	-71.6	-32.7	0	0	0	113.2	Y79 D80 S87 H91	Y79-N83 VanDerWaalsContact CD1-ND2 3.33Å; Y79-N83 WeakPolarHBondContact CD1-ND2 3.25Å; Y79-N83 WeakPolarHBondContact CE1-ND2 3.19Å; Y79-N83 VanDerWaalsContact CZ-ND2 3.31Å; Y79-N83 PolarHBondContact O-N 2.95Å; Y79-N83 PolarHBondContact O-ND2 3.08Å; D80-N83 PolarHBondContact O-N 2.88Å; N83-S87 WeakPolarHBondContact O-CB 3.19Å; N83-S87 PolarHBondContact O-N 2.85Å; N83-S87 VanDerWaalsContact O-N 3.13Å; N83-S87 PolarHBondContact O-OG 3.32Å; N83-H91 PolarHBondContact O-ND1 3.35Å
84	D	82.4	Confident	82.7	Confident	50 Å²	50	52 Å²	52	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-45.6	177.2	-82.2	-33.5	0	0	0	111.1	D80 V81 M82 M86 L88 G89 H91 R92	D80-D84 WeakPolarHBondContact O-CB 3.36Å; D80-D84 PolarHBondContact O-N 2.92Å; V81-D84 PolarHBondContact O-N 2.84Å; M82-D84 PolarHBondContact O-N 2.72Å; D84-M86 PolarHBondContact O-N 2.79Å; D84-L88 CarbonylContact O-C 3.49Å; D84-L88 WeakPolarHBondContact O-CA 3.39Å; D84-L88 PolarHBondContact O-N 2.82Å; D84-G89 PolarHBondContact O-N 2.85Å; D84-H91 IonicContact OD1-CE1 3.81Å; D84-H91 PolarHBondContact OD1-CE1 2.87Å; D84-H91 IonicContact OD1-ND1 3.83Å; D84-H91 IonicContact OD1-NE2 3.73Å; D84-R92 IonicContact OD1-CZ 2.9Å; D84-R92 IonicContact OD1-NE 3.66Å; D84-R92 PolarHBondContact OD1-NE 2.92Å; D84-R92 IonicContact OD1-NH2 3.74Å; D84-R92 PolarHBondContact OD1-NH2 3.22Å; D84-R92 IonicContact OD2-CZ 2.57Å; D84-R92 IonicContact OD2-NE 2.87Å; D84-R92 IonicContact OD2-NH2 3.89Å; D84-R92 PolarHBondContact OD2-NH2 2.87Å
85	A	76.9	Confident	83.3	Confident	15 Å²	15	47.2 Å²	47.2	12%	0.124	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-43	178.8	0	0	0	0	0	112.4	V81 M82 Y261 L269 I273	V81-A85 VanDerWaalsContact O-CB 3.31Å; V81-A85 WeakPolarHBondContact O-CB 3.28Å; V81-A85 PolarHBondContact O-N 2.91Å; M82-A85 PolarHBondContact O-N 3.32Å; A85-Y261 PolarHBondContact O-OH 3.44Å; A85-L269 HydrophobicContact CB-CD2 3.94Å; A85-I273 HydrophobicContact CB-CD1 4.29Å
86	M	74.9	Confident	84	Confident	20 Å²	20	50.6 Å²	50.6	10%	0.099	26%	0.258	C	S	.	.	H	α-helix	trans	-76.5	-33.7	-172.9	-67.1	171.5	-25.2	0	0	113.6	M82 D84 I266 Y280 L283	M82-M86 HydrophobicContact CE-CE 4.3Å; M82-M86 HydrophobicContact CG-CE 3.55Å; M82-M86 HydrophobicContact CG-SD 3.35Å; M82-M86 WeakPolarHBondContact CG-SD 3.31Å; M82-M86 WeakPolarHBondContact O-CB 3.24Å; M82-M86 WeakPolarHBondContact O-CE 3.5Å; M82-M86 WeakPolarHBondContact O-CG 3.34Å; M82-M86 PolarHBondContact O-N 2.64Å; M82-M86 HydrophobicContact SD-CE 4.41Å; M82-M86 HydrophobicContact SD-SD 4.29Å; D84-M86 PolarHBondContact O-N 2.79Å; M86-I266 HydrophobicContact CG-CG2 3.92Å; M86-I266 HydrophobicContact SD-CG2 4.33Å; M86-Y280 HydrophobicContact CG-CD1 4.25Å; M86-Y280 HydrophobicContact CG-CE1 4.06Å; M86-Y280 HydrophobicContact SD-CD1 3.86Å; M86-Y280 HydrophobicContact SD-CE1 3.86Å; M86-L283 HydrophobicContact CE-CD2 3.27Å; M86-L283 HydrophobicContact CG-CD2 4.33Å; M86-L283 HydrophobicContact SD-CD2 2.94Å; M86-L283 WeakPolarHBondContact SD-CD2 3.32Å; M86-L283 HydrophobicContact SD-CG 4.42Å
87	S	80.1	Confident	84.8	Confident	11 Å²	11	54.4 Å²	54.4	8%	0.077	28%	0.276	C	S	.	.	H	α-helix	trans	-102.9	0.4	-179	66	0	0	0	0	113.1	N83 G89 I90 H91	N83-S87 WeakPolarHBondContact O-CB 3.19Å; N83-S87 PolarHBondContact O-N 2.85Å; N83-S87 VanDerWaalsContact O-N 3.13Å; N83-S87 PolarHBondContact O-OG 3.32Å; S87-G89 PolarHBondContact O-N 2.99Å; S87-G89 PolarHBondContact OG-N 3.25Å; S87-I90 VanDerWaalsContact O-CB 3.25Å; S87-I90 WeakPolarHBondContact O-CB 3.18Å; S87-I90 VanDerWaalsContact O-CG1 3.23Å; S87-I90 WeakPolarHBondContact O-CG1 3.29Å; S87-I90 PolarHBondContact O-N 2.78Å; S87-H91 WeakPolarHBondContact OG-CB 3.07Å; S87-H91 PolarHBondContact OG-N 3.49Å; S87-H91 PolarHBondContact OG-ND1 2.76Å
88	L	83.1	Confident	85.6	Confident	135 Å²	135	46.4 Å²	46.4	71%	0.707	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	38.7	-168.7	-55.2	174.2	0	0	0	111.5	D84 I90	D84-L88 CarbonylContact O-C 3.49Å; D84-L88 WeakPolarHBondContact O-CA 3.39Å; D84-L88 PolarHBondContact O-N 2.82Å; L88-I90 PolarHBondContact O-N 2.85Å
89	G	86.9	Confident	86.3	Confident	21 Å²	21	42.6 Å²	42.6	22%	0.216	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-4.4	-176.9	0	0	0	0	0	116.2	D84 S87 H91 R92	D84-G89 PolarHBondContact O-N 2.85Å; S87-G89 PolarHBondContact O-N 2.99Å; S87-G89 PolarHBondContact OG-N 3.25Å; G89-H91 PolarHBondContact O-N 3.08Å; G89-R92 PolarHBondContact O-N 3.11Å
90	I	91.1	Very high	87	Confident	63 Å²	63	46.7 Å²	46.7	32%	0.323	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25	-176.8	-60	172.1	0	0	0	111.6	S87 L88 R92 L93 W94	S87-I90 VanDerWaalsContact O-CB 3.25Å; S87-I90 WeakPolarHBondContact O-CB 3.18Å; S87-I90 VanDerWaalsContact O-CG1 3.23Å; S87-I90 WeakPolarHBondContact O-CG1 3.29Å; S87-I90 PolarHBondContact O-N 2.78Å; L88-I90 PolarHBondContact O-N 2.85Å; I90-R92 PolarHBondContact O-N 2.81Å; I90-R92 VanDerWaalsContact O-N 3.07Å; I90-L93 WeakPolarHBondContact O-CA 3.41Å; I90-L93 WeakPolarHBondContact O-CB 3.26Å; I90-L93 PolarHBondContact O-N 3.49Å; I90-W94 HydrophobicContact CB-CZ2 4.2Å; I90-W94 HydrophobicContact CG2-CD2 4.27Å; I90-W94 HydrophobicContact CG2-CH2 4.45Å; I90-W94 HydrophobicContact CG2-CZ2 3.64Å; I90-W94 PolarHBondContact O-N 3.45Å
91	H	89	Confident	87.7	Confident	9 Å²	9	45.6 Å²	45.6	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-29	178.3	75.2	-92.2	0	0	0	113.8	N83 D84 S87 G89 L93 W94 K95	N83-H91 PolarHBondContact O-ND1 3.35Å; D84-H91 IonicContact OD1-CE1 3.81Å; D84-H91 PolarHBondContact OD1-CE1 2.87Å; D84-H91 IonicContact OD1-ND1 3.83Å; D84-H91 IonicContact OD1-NE2 3.73Å; S87-H91 WeakPolarHBondContact OG-CB 3.07Å; S87-H91 PolarHBondContact OG-N 3.49Å; S87-H91 PolarHBondContact OG-ND1 2.76Å; G89-H91 PolarHBondContact O-N 3.08Å; H91-L93 VanDerWaalsContact C-N 3.29Å; H91-L93 PolarHBondContact O-N 3.44Å; H91-W94 HydrophobicContact CB-CE3 3.77Å; H91-W94 HydrophobicContact CB-CZ3 4.03Å; H91-W94 PolarHBondContact O-N 3.16Å; H91-K95 VanDerWaalsContact O-CG 3.32Å; H91-K95 WeakPolarHBondContact O-CG 3.5Å; H91-K95 PolarHBondContact O-N 3.1Å
92	R	92.6	Very high	88.4	Confident	109 Å²	109	42.7 Å²	42.7	41%	0.411	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-40.5	175.8	-61.3	173.5	-178.8	-109.3	1.7	110.8	D84 G89 I90 K95 D96	D84-R92 IonicContact OD1-CZ 2.9Å; D84-R92 IonicContact OD1-NE 3.66Å; D84-R92 PolarHBondContact OD1-NE 2.92Å; D84-R92 IonicContact OD1-NH2 3.74Å; D84-R92 PolarHBondContact OD1-NH2 3.22Å; D84-R92 IonicContact OD2-CZ 2.57Å; D84-R92 IonicContact OD2-NE 2.87Å; D84-R92 IonicContact OD2-NH2 3.89Å; D84-R92 PolarHBondContact OD2-NH2 2.87Å; G89-R92 PolarHBondContact O-N 3.11Å; I90-R92 PolarHBondContact O-N 2.81Å; I90-R92 VanDerWaalsContact O-N 3.07Å; R92-K95 PolarHBondContact O-N 3.45Å; R92-D96 PolarHBondContact O-N 3.13Å
93	L	93.4	Very high	89.2	Confident	108 Å²	108	46.6 Å²	46.6	57%	0.565	24%	0.237	S	C	*	.	H	α-helix	trans	-68.6	-38	175.9	-59.4	176.4	0	0	0	111.9	I90 H91 K95 D96 M97	I90-L93 WeakPolarHBondContact O-CA 3.41Å; I90-L93 WeakPolarHBondContact O-CB 3.26Å; I90-L93 PolarHBondContact O-N 3.49Å; H91-L93 VanDerWaalsContact C-N 3.29Å; H91-L93 PolarHBondContact O-N 3.44Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-D96 WeakPolarHBondContact O-CB 3.37Å; L93-D96 PolarHBondContact O-N 3.36Å; L93-M97 WeakPolarHBondContact O-CB 3.28Å; L93-M97 VanDerWaalsContact O-CG 3.25Å; L93-M97 WeakPolarHBondContact O-CG 3.25Å; L93-M97 PolarHBondContact O-N 3.2Å
94	W	95	Very high	89.7	Confident	14 Å²	14	46.2 Å²	46.2	5%	0.053	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-41.1	175.5	-58.9	-32.1	0	0	0	111.5	I90 H91 M97 L98 F216 L244 F246 F313 T314 V317 V318	I90-W94 HydrophobicContact CB-CZ2 4.2Å; I90-W94 HydrophobicContact CG2-CD2 4.27Å; I90-W94 HydrophobicContact CG2-CH2 4.45Å; I90-W94 HydrophobicContact CG2-CZ2 3.64Å; I90-W94 PolarHBondContact O-N 3.45Å; H91-W94 HydrophobicContact CB-CE3 3.77Å; H91-W94 HydrophobicContact CB-CZ3 4.03Å; H91-W94 PolarHBondContact O-N 3.16Å; W94-M97 PolarHBondContact O-N 3Å; W94-L98 PolarHBondContact O-N 2.95Å; W94-F216 AromaticContact CE3-CZ 3.91Å; W94-F216 HydrophobicContact CE3-CZ 3.91Å; W94-F216 HydrophobicContact CZ3-CZ 4.49Å; W94-L244 HydrophobicContact CB-CD2 4.25Å; W94-F246 HydrophobicContact CZ3-CE1 4.29Å; W94-F313 HydrophobicContact CB-CD2 4.14Å; W94-F313 AromaticContact CD1-CD2 3.91Å; W94-F313 AromaticContact CD1-CG 3.94Å; W94-F313 HydrophobicContact CG-CB 4.37Å; W94-F313 HydrophobicContact CG-CD2 4.14Å; W94-T314 HydrophobicContact CZ2-CG2 4.46Å; W94-T314 WeakPolarHBondContact CZ2-OG1 3.48Å; W94-T314 PolarHBondContact NE1-OG1 2.86Å; W94-V317 HydrophobicContact CH2-CG1 4.18Å; W94-V318 HydrophobicContact CD2-CB 4.19Å; W94-V318 HydrophobicContact CD2-CG1 4.47Å; W94-V318 HydrophobicContact CD2-CG2 3.96Å; W94-V318 HydrophobicContact CE3-CB 4.19Å; W94-V318 HydrophobicContact CE3-CG1 4.44Å; W94-V318 HydrophobicContact CE3-CG2 3.48Å; W94-V318 VanDerWaalsContact CE3-CG2 3.48Å; W94-V318 HydrophobicContact CH2-CG2 3.75Å; W94-V318 HydrophobicContact CZ2-CG2 4.15Å; W94-V318 HydrophobicContact CZ3-CB 4.45Å; W94-V318 HydrophobicContact CZ3-CG2 3.39Å
95	K	94.7	Very high	90	Very high	10 Å²	10	49.8 Å²	49.8	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-39.9	174.8	-65.1	176.4	178.7	173.3	0	111.9	H91 R92 L93 M97 L98 L99 D119 I120 L244	H91-K95 VanDerWaalsContact O-CG 3.32Å; H91-K95 WeakPolarHBondContact O-CG 3.5Å; H91-K95 PolarHBondContact O-N 3.1Å; R92-K95 PolarHBondContact O-N 3.45Å; L93-K95 VanDerWaalsContact C-N 3.33Å; K95-M97 VanDerWaalsContact C-N 3.31Å; K95-M97 PolarHBondContact O-N 3.44Å; K95-L98 WeakPolarHBondContact O-CB 3.38Å; K95-L98 PolarHBondContact O-N 3.37Å; K95-L99 WeakPolarHBondContact O-CD2 3.5Å; K95-L99 PolarHBondContact O-N 3.02Å; K95-D119 WeakPolarHBondContact CD-OD2 3.47Å; K95-D119 WeakPolarHBondContact CE-OD2 3.01Å; K95-D119 IonicContact NZ-OD2 3.75Å; K95-D119 PolarHBondContact NZ-OD2 3.2Å; K95-I120 HydrophobicContact CB-CD1 3.79Å; K95-I120 HydrophobicContact CD-CD1 3.96Å; K95-I120 HydrophobicContact CG-CD1 3.7Å; K95-L244 HydrophobicContact CG-CD2 4.16Å
96	D	93.8	Very high	90.6	Very high	76 Å²	76	51.3 Å²	51.3	41%	0.406	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-43.6	171.1	-76.2	-41.1	0	0	0	112	R92 L93 L99 H100 R123	R92-D96 PolarHBondContact O-N 3.13Å; L93-D96 WeakPolarHBondContact O-CB 3.37Å; L93-D96 PolarHBondContact O-N 3.36Å; D96-L99 PolarHBondContact O-N 3.45Å; D96-H100 PolarHBondContact O-N 3.21Å; D96-R123 IonicContact OD1-CZ 3.87Å; D96-R123 IonicContact OD1-NH1 3.49Å; D96-R123 PolarHBondContact OD1-NH1 3.13Å; D96-R123 IonicContact OD2-NH1 3.7Å
97	M	93.9	Very high	91.4	Very high	85 Å²	85	51 Å²	51	42%	0.419	26%	0.261	S	S	.	.	H	α-helix	trans	-66.2	-36.2	177.5	-73.1	-61.7	-60.1	0	0	112.2	L93 W94 K95 H100 V101 F313	L93-M97 WeakPolarHBondContact O-CB 3.28Å; L93-M97 VanDerWaalsContact O-CG 3.25Å; L93-M97 WeakPolarHBondContact O-CG 3.25Å; L93-M97 PolarHBondContact O-N 3.2Å; W94-M97 PolarHBondContact O-N 3Å; K95-M97 VanDerWaalsContact C-N 3.31Å; K95-M97 PolarHBondContact O-N 3.44Å; M97-H100 WeakPolarHBondContact O-CB 3.45Å; M97-H100 PolarHBondContact O-N 3.44Å; M97-V101 WeakPolarHBondContact O-CG2 3.3Å; M97-V101 PolarHBondContact O-N 2.92Å; M97-F313 HydrophobicContact CB-CE1 4.36Å; M97-F313 HydrophobicContact CB-CE2 4.37Å; M97-F313 HydrophobicContact CB-CZ 3.92Å
98	L	96.2	Very high	92	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-55	-52.1	171.8	168.5	68.6	0	0	0	110.7	W94 K95 H100 V101 M102 I120 M242 L244 L320	W94-L98 PolarHBondContact O-N 2.95Å; K95-L98 WeakPolarHBondContact O-CB 3.38Å; K95-L98 PolarHBondContact O-N 3.37Å; L98-H100 VanDerWaalsContact C-N 3.28Å; L98-H100 PolarHBondContact O-N 3.36Å; L98-V101 PolarHBondContact O-N 2.79Å; L98-M102 VanDerWaalsContact O-CB 3.26Å; L98-M102 WeakPolarHBondContact O-CB 3.42Å; L98-M102 PolarHBondContact O-N 3.41Å; L98-I120 HydrophobicContact CD2-CD1 3.77Å; L98-I120 HydrophobicContact CD2-CG1 4.2Å; L98-I120 HydrophobicContact CD2-CG2 4.1Å; L98-M242 HydrophobicContact CD1-CB 4.09Å; L98-M242 HydrophobicContact CD1-CE 3.77Å; L98-M242 HydrophobicContact CD1-SD 4.37Å; L98-L244 HydrophobicContact CB-CD2 4.43Å; L98-L244 HydrophobicContact CD2-CB 4.42Å; L98-L244 HydrophobicContact CD2-CD2 4.44Å; L98-L320 HydrophobicContact CD1-CD1 3.44Å; L98-L320 VanDerWaalsContact CD1-CD1 3.44Å; L98-L320 HydrophobicContact CD1-CD2 4.2Å; L98-L320 HydrophobicContact CD1-CG 4.48Å
99	L	94.6	Very high	92.7	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-35.5	179	-82.9	-55	0	0	0	112.1	K95 D96 M102 H103 I120 R123 F124	K95-L99 WeakPolarHBondContact O-CD2 3.5Å; K95-L99 PolarHBondContact O-N 3.02Å; D96-L99 PolarHBondContact O-N 3.45Å; L99-M102 HydrophobicContact CD1-CE 3.97Å; L99-M102 HydrophobicContact CD1-SD 3.79Å; L99-M102 PolarHBondContact O-N 2.99Å; L99-H103 PolarHBondContact O-N 3.37Å; L99-H103 VanDerWaalsContact O-N 3.1Å; L99-I120 HydrophobicContact CD2-CD1 4.41Å; L99-I120 HydrophobicContact CD2-CG2 4.31Å; L99-R123 HydrophobicContact CD2-CB 3.69Å; L99-R123 HydrophobicContact CG-CB 3.8Å; L99-F124 HydrophobicContact CD1-CB 3.95Å
100	H	91.8	Very high	93.2	Very high	102 Å²	102	46.7 Å²	46.7	47%	0.472	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-48.1	174.3	-164.6	69.2	0	0	0	111.3	D96 M97 L98 M102 H103	D96-H100 PolarHBondContact O-N 3.21Å; M97-H100 WeakPolarHBondContact O-CB 3.45Å; M97-H100 PolarHBondContact O-N 3.44Å; L98-H100 VanDerWaalsContact C-N 3.28Å; L98-H100 PolarHBondContact O-N 3.36Å; H100-M102 VanDerWaalsContact C-N 3.32Å; H100-M102 PolarHBondContact O-N 2.94Å; H100-H103 AromaticContact CE1-CE1 3.84Å; H100-H103 PolarHBondContact O-CD2 3.13Å; H100-H103 PolarHBondContact O-CE1 3.09Å; H100-H103 VanDerWaalsContact O-CE1 3.23Å; H100-H103 PolarHBondContact O-N 3.03Å; H100-H103 PolarHBondContact O-ND1 3.3Å; H100-H103 PolarHBondContact O-NE2 3.47Å
101	V	93.6	Very high	93.6	Very high	33 Å²	33	43.7 Å²	43.7	20%	0.2	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-33.1	178.8	174.4	0	0	0	0	112	M97 L98 H103 R240 M242 L320	M97-V101 WeakPolarHBondContact O-CG2 3.3Å; M97-V101 PolarHBondContact O-N 2.92Å; L98-V101 PolarHBondContact O-N 2.79Å; V101-H103 VanDerWaalsContact C-N 3.3Å; V101-H103 PolarHBondContact O-N 3.41Å; V101-R240 PolarHBondContact O-NH1 2.82Å; V101-M242 HydrophobicContact CB-CE 4.17Å; V101-M242 HydrophobicContact CG1-CE 3.79Å; V101-L320 HydrophobicContact CB-CD2 3.82Å; V101-L320 HydrophobicContact CG1-CD2 3.85Å; V101-L320 HydrophobicContact CG2-CD2 4.03Å
102	M	94.7	Very high	94.1	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.044	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-40.6	176.4	-177.7	-168.7	-67.7	0	0	111.1	L98 L99 H100 P104 L110 F124 I211 T213 M242	L98-M102 VanDerWaalsContact O-CB 3.26Å; L98-M102 WeakPolarHBondContact O-CB 3.42Å; L98-M102 PolarHBondContact O-N 3.41Å; L99-M102 HydrophobicContact CD1-CE 3.97Å; L99-M102 HydrophobicContact CD1-SD 3.79Å; L99-M102 PolarHBondContact O-N 2.99Å; H100-M102 VanDerWaalsContact C-N 3.32Å; H100-M102 PolarHBondContact O-N 2.94Å; M102-P104 HydrophobicContact CG-CB 4.26Å; M102-P104 HydrophobicContact CG-CG 4.33Å; M102-P104 HydrophobicContact SD-CB 3.98Å; M102-P104 HydrophobicContact SD-CG 3.93Å; M102-L110 HydrophobicContact CE-CD1 4.4Å; M102-F124 HydrophobicContact SD-CD2 3.86Å; M102-F124 HydrophobicContact SD-CE2 4.43Å; M102-I211 HydrophobicContact CE-CG2 4.07Å; M102-I211 HydrophobicContact CG-CD1 3.91Å; M102-I211 HydrophobicContact CG-CG2 4.17Å; M102-I211 HydrophobicContact SD-CD1 3.98Å; M102-I211 HydrophobicContact SD-CG2 4.1Å; M102-T213 HydrophobicContact CE-CG2 3.32Å; M102-M242 VanDerWaalsContact CA-SD 3.6Å; M102-M242 HydrophobicContact CB-CE 4.09Å; M102-M242 HydrophobicContact CB-SD 3.59Å; M102-M242 VanDerWaalsContact CB-SD 3.59Å; M102-M242 HydrophobicContact CE-SD 4.38Å; M102-M242 HydrophobicContact CG-SD 3.77Å
103	H	92.8	Very high	94.3	Very high	89 Å²	89	38.2 Å²	38.2	41%	0.412	19%	0.193	S	C	.	.			trans	45.5	53.3	-177	-79.3	-63.1	0	0	0	113	L99 H100 V101 Q105 Y127	L99-H103 PolarHBondContact O-N 3.37Å; L99-H103 VanDerWaalsContact O-N 3.1Å; H100-H103 AromaticContact CE1-CE1 3.84Å; H100-H103 PolarHBondContact O-CD2 3.13Å; H100-H103 PolarHBondContact O-CE1 3.09Å; H100-H103 VanDerWaalsContact O-CE1 3.23Å; H100-H103 PolarHBondContact O-N 3.03Å; H100-H103 PolarHBondContact O-ND1 3.3Å; H100-H103 PolarHBondContact O-NE2 3.47Å; V101-H103 VanDerWaalsContact C-N 3.3Å; V101-H103 PolarHBondContact O-N 3.41Å; H103-Q105 PolarHBondContact O-N 3.42Å; H103-Q105 PolarHBondContact O-NE2 2.99Å; H103-Q105 VanDerWaalsContact O-NE2 3.08Å; H103-Y127 PolarHBondContact ND1-OH 3.17Å; H103-Y127 VanDerWaalsContact ND1-OH 3.09Å
104	P	92	Very high	94.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.013	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-63.6	137.7	-173.8	27.8	-34.3	0	0	0	111.1	M102 F124 Y127 V128 I211	M102-P104 HydrophobicContact CG-CB 4.26Å; M102-P104 HydrophobicContact CG-CG 4.33Å; M102-P104 HydrophobicContact SD-CB 3.98Å; M102-P104 HydrophobicContact SD-CG 3.93Å; P104-F124 HydrophobicContact CB-CD2 3.66Å; P104-F124 HydrophobicContact CB-CE2 3.35Å; P104-F124 HydrophobicContact CB-CZ 4.45Å; P104-F124 HydrophobicContact CG-CD2 3.8Å; P104-F124 HydrophobicContact CG-CE2 4.02Å; P104-Y127 HydrophobicContact CG-CD1 3.5Å; P104-Y127 HydrophobicContact CG-CE1 3.85Å; P104-Y127 HydrophobicContact CG-CG 4.19Å; P104-V128 HydrophobicContact CB-CG2 3.88Å; P104-V128 HydrophobicContact CG-CG2 3.84Å; P104-I211 HydrophobicContact CB-CD1 3.95Å
105	Q	89.4	Confident	94.3	Very high	126 Å²	126	34.4 Å²	34.4	59%	0.589	18%	0.182	S	C	*	.	P	Polyproline II helix	trans	-88.7	150.4	177.2	-61	-55.3	-54.6	0	0	110.8	H103 G107 A108	H103-Q105 PolarHBondContact O-N 3.42Å; H103-Q105 PolarHBondContact O-NE2 2.99Å; H103-Q105 VanDerWaalsContact O-NE2 3.08Å; Q105-G107 PolarHBondContact O-N 3.36Å; Q105-A108 VanDerWaalsContact O-CB 3.29Å; Q105-A108 WeakPolarHBondContact O-CB 3.43Å; Q105-A108 PolarHBondContact O-N 2.9Å; Q105-A108 VanDerWaalsContact O-N 3.16Å
106	P	89.1	Confident	94.2	Very high	47 Å²	47	34 Å²	34	31%	0.305	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	130	165.7	-27.9	37.4	0	0	0	112.4	V128 Q132	P106-V128 VanDerWaalsContact CA-CG1 3.46Å; P106-V128 HydrophobicContact CB-CG1 4.19Å; P106-V128 HydrophobicContact CG-CG1 4.23Å; P106-Q132 HydrophobicContact CB-CG 3.73Å; P106-Q132 HydrophobicContact CG-CG 3.76Å
107	G	90.9	Very high	94	Very high	14 Å²	14	31.2 Å²	31.2	14%	0.144	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-4	-178.5	0	0	0	0	0	115.9	Q105 Q162 S164	Q105-G107 PolarHBondContact O-N 3.36Å; G107-Q162 WeakPolarHBondContact CA-O 3.47Å; G107-S164 PolarHBondContact N-OG 3.39Å
108	A	94.1	Very high	94	Very high	10 Å²	10	27.1 Å²	27.1	8%	0.083	15%	0.146	C	C	.	.			trans	-64.8	143.7	176.8	0	0	0	0	0	112.6	Q105 F124 S164 R165 I211	Q105-A108 VanDerWaalsContact O-CB 3.29Å; Q105-A108 WeakPolarHBondContact O-CB 3.43Å; Q105-A108 PolarHBondContact O-N 2.9Å; Q105-A108 VanDerWaalsContact O-N 3.16Å; A108-F124 HydrophobicContact CB-CE2 4.36Å; A108-F124 HydrophobicContact CB-CZ 4.14Å; A108-S164 WeakPolarHBondContact O-CA 3.43Å; A108-R165 PolarHBondContact O-N 2.83Å; A108-R165 VanDerWaalsContact O-N 3.17Å; A108-I211 HydrophobicContact CB-CD1 4.23Å
109	R	97.2	Very high	93.9	Very high	65 Å²	65	27.7 Å²	27.7	25%	0.245	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.3	170.5	-62.3	177.4	68.6	-172.1	-2.5	109.7	R165 Q208 F209 D210 I211	R109-R165 CarbonylContact C-O 3.49Å; R109-R165 WeakPolarHBondContact CA-O 3.49Å; R109-Q208 PolarHBondContact NE-O 3.24Å; R109-Q208 PolarHBondContact NH1-O 3.2Å; R109-Q208 VanDerWaalsContact NH1-O 3.13Å; R109-F209 HydrophobicContact CB-CD1 4.29Å; R109-D210 WeakPolarHBondContact CB-OD2 3.23Å; R109-D210 PolarHBondContact N-OD2 2.83Å; R109-D210 PolarHBondContact O-N 3.32Å; R109-I211 PolarHBondContact O-N 3.21Å; R109-I211 VanDerWaalsContact O-N 3.17Å
110	L	98.4	Very high	93.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.3	176.2	173.9	67.8	0	0	0	110.6	M102 F124 R165 A166 V167 I211 T213	M102-L110 HydrophobicContact CE-CD1 4.4Å; L110-F124 HydrophobicContact CB-CD1 4.16Å; L110-F124 HydrophobicContact CB-CD2 4.22Å; L110-F124 HydrophobicContact CB-CE1 3.94Å; L110-F124 HydrophobicContact CB-CE2 3.99Å; L110-F124 HydrophobicContact CB-CG 4.3Å; L110-F124 HydrophobicContact CB-CZ 3.85Å; L110-F124 HydrophobicContact CD2-CB 3.61Å; L110-F124 HydrophobicContact CD2-CD1 3.87Å; L110-F124 HydrophobicContact CD2-CD2 3.85Å; L110-F124 HydrophobicContact CD2-CE2 4.47Å; L110-F124 HydrophobicContact CD2-CG 3.51Å; L110-F124 HydrophobicContact CG-CG 4.5Å; L110-R165 PolarHBondContact N-O 2.97Å; L110-A166 HydrophobicContact CB-CB 4.25Å; L110-A166 HydrophobicContact CD2-CB 4.14Å; L110-A166 CarbonylContact O-C 3.48Å; L110-A166 WeakPolarHBondContact O-CA 3.48Å; L110-V167 PolarHBondContact O-N 2.83Å; L110-I211 WeakPolarHBondContact CA-O 3.33Å; L110-I211 HydrophobicContact CD1-CB 3.91Å; L110-I211 HydrophobicContact CD1-CG2 3.66Å; L110-T213 HydrophobicContact CD1-CG2 3.86Å
111	L	98.7	Very high	94.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.6	159.6	177.9	62	0	0	0	109.2	V113 V167 C169 L202 F204 F209 I211 Y212 T213 V234	L111-V113 HydrophobicContact CD1-CG2 4.23Å; L111-V113 HydrophobicContact CD2-CG2 3.86Å; L111-V113 HydrophobicContact CG-CG2 3.7Å; L111-V167 HydrophobicContact CD1-CB 4.07Å; L111-V167 HydrophobicContact CD1-CG1 4.05Å; L111-C169 HydrophobicContact CD1-CB 3.97Å; L111-L202 HydrophobicContact CD2-CD1 4.13Å; L111-F204 HydrophobicContact CD1-CD2 4.21Å; L111-F204 HydrophobicContact CD1-CE2 3.47Å; L111-F204 VanDerWaalsContact CD1-CE2 3.47Å; L111-F204 HydrophobicContact CD1-CZ 3.83Å; L111-F204 HydrophobicContact CD2-CD2 3.9Å; L111-F204 HydrophobicContact CD2-CE2 3.92Å; L111-F204 HydrophobicContact CG-CE2 4.38Å; L111-F209 HydrophobicContact CB-CB 4.25Å; L111-F209 HydrophobicContact CB-CD1 3.63Å; L111-F209 HydrophobicContact CB-CD2 3.93Å; L111-F209 HydrophobicContact CB-CE1 3.85Å; L111-F209 HydrophobicContact CB-CE2 4.15Å; L111-F209 HydrophobicContact CB-CG 3.65Å; L111-F209 HydrophobicContact CB-CZ 4.1Å; L111-F209 HydrophobicContact CD1-CE1 4.39Å; L111-F209 HydrophobicContact CD1-CE2 4.42Å; L111-F209 HydrophobicContact CD1-CZ 4.09Å; L111-F209 HydrophobicContact CD2-CD2 3.95Å; L111-F209 HydrophobicContact CD2-CE2 3.85Å; L111-F209 HydrophobicContact CD2-CZ 4.34Å; L111-F209 HydrophobicContact CG-CD2 4.48Å; L111-F209 HydrophobicContact CG-CE2 4.36Å; L111-F209 HydrophobicContact CG-CZ 4.4Å; L111-I211 PolarHBondContact N-O 2.88Å; L111-Y212 HydrophobicContact CD2-CD2 3.87Å; L111-Y212 HydrophobicContact CD2-CE2 3.96Å; L111-Y212 HydrophobicContact CG-CD2 4.38Å; L111-Y212 CarbonylContact O-C 3.2Å; L111-Y212 WeakPolarHBondContact O-CA 3.48Å; L111-T213 PolarHBondContact O-N 2.82Å; L111-V234 HydrophobicContact CD2-CG2 3.8Å
112	D	98.5	Very high	94.3	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	98.5	-180	-170.3	29.2	0	0	0	109.6	S121 V167 C169 T213	D112-S121 WeakPolarHBondContact CB-OG 3.36Å; D112-S121 PolarHBondContact OD2-N 3.08Å; D112-S121 PolarHBondContact OD2-OG 2.85Å; D112-V167 PolarHBondContact N-O 3.36Å; D112-C169 PolarHBondContact O-N 3.48Å; D112-T213 WeakPolarHBondContact CA-OG1 3.4Å; D112-T213 PolarHBondContact OD1-OG1 2.79Å
113	V	98.4	Very high	94.3	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	141.7	-174.7	-176.4	0	0	0	0	110.8	L111 G115 C169 A199 L202 Y212 T213 I214	L111-V113 HydrophobicContact CD1-CG2 4.23Å; L111-V113 HydrophobicContact CD2-CG2 3.86Å; L111-V113 HydrophobicContact CG-CG2 3.7Å; V113-G115 PolarHBondContact O-N 3.25Å; V113-C169 CarbonylContact C-O 3.34Å; V113-C169 WeakPolarHBondContact CA-O 3.24Å; V113-C169 HydrophobicContact CG2-CB 4.41Å; V113-A199 HydrophobicContact CG1-CB 3.55Å; V113-L202 HydrophobicContact CG1-CD2 4.42Å; V113-L202 HydrophobicContact CG2-CD2 4.14Å; V113-Y212 HydrophobicContact CB-CE1 4.3Å; V113-Y212 HydrophobicContact CB-CE2 4.33Å; V113-Y212 WeakPolarHBondContact CB-OH 3.25Å; V113-Y212 HydrophobicContact CG2-CD2 4.25Å; V113-Y212 HydrophobicContact CG2-CE1 4.18Å; V113-Y212 HydrophobicContact CG2-CE2 3.42Å; V113-Y212 VanDerWaalsContact CG2-CE2 3.42Å; V113-Y212 WeakPolarHBondContact CG2-OH 3.42Å; V113-T213 PolarHBondContact N-O 2.81Å; V113-I214 HydrophobicContact CB-CD1 4.41Å; V113-I214 HydrophobicContact CG1-CD1 4.19Å; V113-I214 WeakPolarHBondContact O-CG1 3.42Å
114	A	95.9	Very high	94.5	Very high	34 Å²	34	19.1 Å²	19.1	28%	0.281	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	29.2	-168.5	0	0	0	0	0	112.1	C169 D170 I214	A114-C169 PolarHBondContact N-O 2.86Å; A114-D170 VanDerWaalsContact C-OD2 3.24Å; A114-D170 WeakPolarHBondContact CA-OD2 3.25Å; A114-I214 HydrophobicContact CB-CD1 4.2Å; A114-I214 HydrophobicContact CB-CG1 4.26Å
115	G	92.3	Very high	94.6	Very high	9 Å²	9	19.7 Å²	19.7	9%	0.093	11%	0.107	C	C	.	.			trans	-97.4	25.4	-175	0	0	0	0	0	113	V113 T117 G118 V168	V113-G115 PolarHBondContact O-N 3.25Å; G115-T117 PolarHBondContact O-N 3.43Å; G115-G118 WeakPolarHBondContact O-CA 3.46Å; G115-G118 PolarHBondContact O-N 3.16Å; G115-V168 WeakPolarHBondContact O-CG1 3.36Å
116	G	91.1	Very high	94.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.01	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-26.8	-162.2	0	0	0	0	0	116.9	G118 D170 M175 G179 W194	G116-G118 VanDerWaalsContact C-N 3.34Å; G116-D170 VanDerWaalsContact CA-OD2 3.3Å; G116-D170 WeakPolarHBondContact CA-OD2 3.42Å; G116-D170 PolarHBondContact N-OD2 3.32Å; G116-M175 CarbonylContact C-O 3.26Å; G116-M175 CarbonylContact O-C 3.27Å; G116-G179 WeakPolarHBondContact O-CA 3.44Å; G116-W194 VanDerWaalsContact O-CZ3 3.32Å; G116-W194 WeakPolarHBondContact O-CZ3 3.3Å
117	T	91.5	Very high	95	Very high	17 Å²	17	17.7 Å²	17.7	10%	0.104	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.3	174.9	61.5	0	0	0	0	114.7	Y79 G115 D119 F122 M175	Y79-T117 HydrophobicContact CD1-CG2 3.9Å; Y79-T117 HydrophobicContact CE1-CG2 4.37Å; G115-T117 PolarHBondContact O-N 3.43Å; T117-D119 VanDerWaalsContact C-N 3.34Å; T117-D119 PolarHBondContact O-N 3.08Å; T117-F122 VanDerWaalsContact O-CE2 3.25Å; T117-F122 WeakPolarHBondContact O-CE2 3.43Å; T117-M175 HydrophobicContact CG2-CE 3.65Å
118	G	93.4	Very high	95	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.			trans	77.7	4.3	176.2	0	0	0	0	0	115.9	G115 G116 I120 S121 F122	G115-G118 WeakPolarHBondContact O-CA 3.46Å; G115-G118 PolarHBondContact O-N 3.16Å; G116-G118 VanDerWaalsContact C-N 3.34Å; G118-I120 PolarHBondContact O-N 3.07Å; G118-S121 PolarHBondContact O-N 3.3Å; G118-S121 VanDerWaalsContact O-N 3.12Å; G118-F122 WeakPolarHBondContact O-CD1 3.44Å; G118-F122 WeakPolarHBondContact O-CD2 3.36Å; G118-F122 WeakPolarHBondContact O-CG 3.06Å; G118-F122 PolarHBondContact O-N 3.44Å
119	D	92.8	Very high	94.8	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.064	11%	0.11	C	C	.	.	H	α-helix	trans	-57	-43.2	-171.2	-171.7	23.7	0	0	0	113.3	K95 T117 R123 R182	K95-D119 WeakPolarHBondContact CD-OD2 3.47Å; K95-D119 WeakPolarHBondContact CE-OD2 3.01Å; K95-D119 IonicContact NZ-OD2 3.75Å; K95-D119 PolarHBondContact NZ-OD2 3.2Å; T117-D119 VanDerWaalsContact C-N 3.34Å; T117-D119 PolarHBondContact O-N 3.08Å; D119-R123 VanDerWaalsContact O-CD 3.22Å; D119-R123 WeakPolarHBondContact O-CD 3.32Å; D119-R123 WeakPolarHBondContact O-CG 3.26Å; D119-R123 PolarHBondContact O-N 2.88Å; D119-R123 IonicContact OD1-CZ 3.62Å; D119-R123 IonicContact OD1-NE 2.75Å; D119-R123 PolarHBondContact OD1-NE 2.91Å; D119-R123 IonicContact OD1-NH2 3.62Å; D119-R123 IonicContact OD2-NE 3.13Å; D119-R182 IonicContact OD1-NH2 3.92Å
120	I	96.4	Very high	94.4	Very high	6 Å²	6	25 Å²	25	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-69.1	-45.6	176.4	-59.8	-49.9	0	0	0	111	K95 L98 L99 G118 F122 R123 F124 T213 A215	K95-I120 HydrophobicContact CB-CD1 3.79Å; K95-I120 HydrophobicContact CD-CD1 3.96Å; K95-I120 HydrophobicContact CG-CD1 3.7Å; L98-I120 HydrophobicContact CD2-CD1 3.77Å; L98-I120 HydrophobicContact CD2-CG1 4.2Å; L98-I120 HydrophobicContact CD2-CG2 4.1Å; L99-I120 HydrophobicContact CD2-CD1 4.41Å; L99-I120 HydrophobicContact CD2-CG2 4.31Å; G118-I120 PolarHBondContact O-N 3.07Å; I120-F122 PolarHBondContact O-N 3.33Å; I120-R123 PolarHBondContact O-N 3.01Å; I120-F124 WeakPolarHBondContact O-CB 3.43Å; I120-F124 PolarHBondContact O-N 3.37Å; I120-T213 HydrophobicContact CG2-CG2 4.32Å; I120-A215 HydrophobicContact CD1-CB 4.36Å; I120-A215 HydrophobicContact CG1-CB 3.91Å
121	S	97	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-40.3	179.2	-68.3	0	0	0	0	113.3	D112 G118 F124 L125 V168	D112-S121 WeakPolarHBondContact CB-OG 3.36Å; D112-S121 PolarHBondContact OD2-N 3.08Å; D112-S121 PolarHBondContact OD2-OG 2.85Å; G118-S121 PolarHBondContact O-N 3.3Å; G118-S121 VanDerWaalsContact O-N 3.12Å; S121-F124 WeakPolarHBondContact O-CB 3.41Å; S121-F124 PolarHBondContact O-N 3.3Å; S121-L125 WeakPolarHBondContact O-CG 3.39Å; S121-L125 PolarHBondContact O-N 2.88Å; S121-V168 VanDerWaalsContact OG-CG2 3.28Å; S121-V168 WeakPolarHBondContact OG-CG2 3.42Å
122	F	95.8	Very high	93.3	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.013	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-46.1	174.8	-55.2	-29.7	0	0	0	111.2	T117 G118 I120 F124 L125 D126 R182 A183 M186 I188 L192 W194	T117-F122 VanDerWaalsContact O-CE2 3.25Å; T117-F122 WeakPolarHBondContact O-CE2 3.43Å; G118-F122 WeakPolarHBondContact O-CD1 3.44Å; G118-F122 WeakPolarHBondContact O-CD2 3.36Å; G118-F122 WeakPolarHBondContact O-CG 3.06Å; G118-F122 PolarHBondContact O-N 3.44Å; I120-F122 PolarHBondContact O-N 3.33Å; F122-F124 VanDerWaalsContact C-N 3.28Å; F122-F124 PolarHBondContact O-N 2.95Å; F122-L125 PolarHBondContact O-N 2.86Å; F122-D126 PolarHBondContact O-N 3.36Å; F122-R182 HydrophobicContact CE2-CB 4.24Å; F122-R182 HydrophobicContact CE2-CG 3.78Å; F122-R182 HydrophobicContact CZ-CB 4.43Å; F122-R182 HydrophobicContact CZ-CG 4.39Å; F122-A183 HydrophobicContact CE1-CB 3.79Å; F122-A183 HydrophobicContact CZ-CB 3.96Å; F122-M186 HydrophobicContact CB-CE 4.34Å; F122-M186 HydrophobicContact CD2-CE 4.49Å; F122-M186 HydrophobicContact CD2-SD 3.94Å; F122-M186 HydrophobicContact CE2-SD 4.27Å; F122-M186 HydrophobicContact CG-SD 4.39Å; F122-I188 HydrophobicContact CB-CD1 4.17Å; F122-I188 HydrophobicContact CD1-CD1 3.41Å; F122-I188 VanDerWaalsContact CD1-CD1 3.41Å; F122-I188 HydrophobicContact CE1-CD1 3.96Å; F122-I188 HydrophobicContact CG-CD1 3.88Å; F122-L192 HydrophobicContact CD1-CD2 4.17Å; F122-L192 HydrophobicContact CE1-CD2 3.59Å; F122-W194 HydrophobicContact CE1-CH2 4.16Å; F122-W194 HydrophobicContact CE1-CZ2 4.1Å; F122-W194 AromaticContact CZ-CH2 3.94Å; F122-W194 HydrophobicContact CZ-CH2 3.94Å; F122-W194 HydrophobicContact CZ-CZ2 4.17Å
123	R	95.6	Very high	92.7	Very high	53 Å²	53	33.2 Å²	33.2	20%	0.2	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-36.3	177.9	-67.9	166.1	177.1	-79.4	11.2	112.2	D96 L99 D119 I120 Y127	D96-R123 IonicContact OD1-CZ 3.87Å; D96-R123 IonicContact OD1-NH1 3.49Å; D96-R123 PolarHBondContact OD1-NH1 3.13Å; D96-R123 IonicContact OD2-NH1 3.7Å; L99-R123 HydrophobicContact CD2-CB 3.69Å; L99-R123 HydrophobicContact CG-CB 3.8Å; D119-R123 VanDerWaalsContact O-CD 3.22Å; D119-R123 WeakPolarHBondContact O-CD 3.32Å; D119-R123 WeakPolarHBondContact O-CG 3.26Å; D119-R123 PolarHBondContact O-N 2.88Å; D119-R123 IonicContact OD1-CZ 3.62Å; D119-R123 IonicContact OD1-NE 2.75Å; D119-R123 PolarHBondContact OD1-NE 2.91Å; D119-R123 IonicContact OD1-NH2 3.62Å; D119-R123 IonicContact OD2-NE 3.13Å; I120-R123 PolarHBondContact O-N 3.01Å; R123-Y127 WeakPolarHBondContact O-CB 3.37Å; R123-Y127 PolarHBondContact O-N 3.05Å
124	F	96.5	Very high	92.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-51.6	173.5	168.5	-93.3	0	0	0	111	L99 M102 P104 A108 L110 I120 S121 F122 D126 Y127 V128 A166 I211	L99-F124 HydrophobicContact CD1-CB 3.95Å; M102-F124 HydrophobicContact SD-CD2 3.86Å; M102-F124 HydrophobicContact SD-CE2 4.43Å; P104-F124 HydrophobicContact CB-CD2 3.66Å; P104-F124 HydrophobicContact CB-CE2 3.35Å; P104-F124 HydrophobicContact CB-CZ 4.45Å; P104-F124 HydrophobicContact CG-CD2 3.8Å; P104-F124 HydrophobicContact CG-CE2 4.02Å; A108-F124 HydrophobicContact CB-CE2 4.36Å; A108-F124 HydrophobicContact CB-CZ 4.14Å; L110-F124 HydrophobicContact CB-CD1 4.16Å; L110-F124 HydrophobicContact CB-CD2 4.22Å; L110-F124 HydrophobicContact CB-CE1 3.94Å; L110-F124 HydrophobicContact CB-CE2 3.99Å; L110-F124 HydrophobicContact CB-CG 4.3Å; L110-F124 HydrophobicContact CB-CZ 3.85Å; L110-F124 HydrophobicContact CD2-CB 3.61Å; L110-F124 HydrophobicContact CD2-CD1 3.87Å; L110-F124 HydrophobicContact CD2-CD2 3.85Å; L110-F124 HydrophobicContact CD2-CE2 4.47Å; L110-F124 HydrophobicContact CD2-CG 3.51Å; L110-F124 HydrophobicContact CG-CG 4.5Å; I120-F124 WeakPolarHBondContact O-CB 3.43Å; I120-F124 PolarHBondContact O-N 3.37Å; S121-F124 WeakPolarHBondContact O-CB 3.41Å; S121-F124 PolarHBondContact O-N 3.3Å; F122-F124 VanDerWaalsContact C-N 3.28Å; F122-F124 PolarHBondContact O-N 2.95Å; F124-D126 PolarHBondContact O-N 2.82Å; F124-Y127 PolarHBondContact O-N 3.47Å; F124-V128 HydrophobicContact CD2-CG2 4.22Å; F124-V128 HydrophobicContact CE1-CG2 4.39Å; F124-V128 HydrophobicContact CE2-CG2 3.98Å; F124-V128 HydrophobicContact CZ-CG2 4.06Å; F124-V128 VanDerWaalsContact O-CG2 3.27Å; F124-V128 WeakPolarHBondContact O-CG2 3.44Å; F124-V128 PolarHBondContact O-N 2.92Å; F124-A166 HydrophobicContact CD1-CB 4.04Å; F124-A166 HydrophobicContact CE1-CB 4.35Å; F124-I211 HydrophobicContact CE2-CD1 4.2Å
125	L	94.7	Very high	91.6	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.073	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-47.9	-180	-67.8	175.1	0	0	0	111.4	S121 F122 Y127 V128 L129 A166 I188 L192	S121-L125 WeakPolarHBondContact O-CG 3.39Å; S121-L125 PolarHBondContact O-N 2.88Å; F122-L125 PolarHBondContact O-N 2.86Å; L125-Y127 VanDerWaalsContact C-N 3.32Å; L125-Y127 PolarHBondContact O-N 2.83Å; L125-V128 PolarHBondContact O-N 2.88Å; L125-L129 WeakPolarHBondContact O-CB 3.47Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 2.85Å; L125-A166 HydrophobicContact CD2-CB 4.43Å; L125-A166 HydrophobicContact CG-CB 4.44Å; L125-I188 HydrophobicContact CD1-CG2 4.08Å; L125-L192 HydrophobicContact CD1-CB 4.12Å; L125-L192 HydrophobicContact CD1-CD1 4.24Å
126	D	92.6	Very high	91.1	Very high	87 Å²	87	47.6 Å²	47.6	47%	0.465	22%	0.215	S	C	.	.	H	α-helix	trans	-58.1	-44	176.5	-76.2	-17.2	0	0	0	112	F122 F124 V128 Y130	F122-D126 PolarHBondContact O-N 3.36Å; F124-D126 PolarHBondContact O-N 2.82Å; D126-V128 PolarHBondContact O-N 3.17Å; D126-Y130 VanDerWaalsContact O-CB 3.25Å; D126-Y130 WeakPolarHBondContact O-CB 3.37Å; D126-Y130 PolarHBondContact O-N 2.93Å
127	Y	92.9	Very high	90.8	Very high	43 Å²	43	55.6 Å²	55.6	17%	0.169	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-47	178.8	-175.6	-80	0	0	0	111.3	H103 P104 R123 F124 L125 Y130 Q131	H103-Y127 PolarHBondContact ND1-OH 3.17Å; H103-Y127 VanDerWaalsContact ND1-OH 3.09Å; P104-Y127 HydrophobicContact CG-CD1 3.5Å; P104-Y127 HydrophobicContact CG-CE1 3.85Å; P104-Y127 HydrophobicContact CG-CG 4.19Å; R123-Y127 WeakPolarHBondContact O-CB 3.37Å; R123-Y127 PolarHBondContact O-N 3.05Å; F124-Y127 PolarHBondContact O-N 3.47Å; L125-Y127 VanDerWaalsContact C-N 3.32Å; L125-Y127 PolarHBondContact O-N 2.83Å; Y127-Y130 PolarHBondContact O-N 3.17Å; Y127-Q131 HydrophobicContact CD1-CG 3.87Å; Y127-Q131 HydrophobicContact CE1-CG 3.58Å; Y127-Q131 VanDerWaalsContact O-CG 3.28Å; Y127-Q131 WeakPolarHBondContact O-CG 3.49Å; Y127-Q131 PolarHBondContact O-N 3.34Å; Y127-Q131 PolarHBondContact OH-NE2 2.88Å
128	V	92.1	Very high	90.3	Very high	1 Å²	1	63 Å²	63	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-72.9	-39.2	-174.5	-175.9	0	0	0	0	111.2	P104 P106 F124 L125 D126 Y130 Q131 Q132 S164	P104-V128 HydrophobicContact CB-CG2 3.88Å; P104-V128 HydrophobicContact CG-CG2 3.84Å; P106-V128 VanDerWaalsContact CA-CG1 3.46Å; P106-V128 HydrophobicContact CB-CG1 4.19Å; P106-V128 HydrophobicContact CG-CG1 4.23Å; F124-V128 HydrophobicContact CD2-CG2 4.22Å; F124-V128 HydrophobicContact CE1-CG2 4.39Å; F124-V128 HydrophobicContact CE2-CG2 3.98Å; F124-V128 HydrophobicContact CZ-CG2 4.06Å; F124-V128 VanDerWaalsContact O-CG2 3.27Å; F124-V128 WeakPolarHBondContact O-CG2 3.44Å; F124-V128 PolarHBondContact O-N 2.92Å; L125-V128 PolarHBondContact O-N 2.88Å; D126-V128 PolarHBondContact O-N 3.17Å; V128-Y130 VanDerWaalsContact C-N 3.31Å; V128-Y130 PolarHBondContact O-N 2.94Å; V128-Q131 PolarHBondContact O-N 2.97Å; V128-Q132 WeakPolarHBondContact O-CG 3.4Å; V128-Q132 PolarHBondContact O-N 2.84Å; V128-S164 WeakPolarHBondContact CG1-OG 3.44Å
129	L	88.9	Confident	89.5	Confident	104 Å²	104	67 Å²	67	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-58.4	-44.4	171.4	-72.3	172.4	0	0	0	111.4	L125 Q131 Q132 E133	L125-L129 WeakPolarHBondContact O-CB 3.47Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 2.85Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 2.88Å; L129-Q132 PolarHBondContact O-N 2.91Å; L129-E133 WeakPolarHBondContact O-CB 3.21Å; L129-E133 PolarHBondContact O-N 3.26Å
130	Y	88.6	Confident	88.6	Confident	137 Å²	137	70 Å²	70	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-41.1	176.1	176.9	-105.9	0	0	0	112.4	D126 Y127 V128 E133 R134	D126-Y130 VanDerWaalsContact O-CB 3.25Å; D126-Y130 WeakPolarHBondContact O-CB 3.37Å; D126-Y130 PolarHBondContact O-N 2.93Å; Y127-Y130 PolarHBondContact O-N 3.17Å; V128-Y130 VanDerWaalsContact C-N 3.31Å; V128-Y130 PolarHBondContact O-N 2.94Å; Y130-E133 PolarHBondContact O-N 3.23Å; Y130-R134 HydrophobicContact CE1-CG 4.23Å; Y130-R134 HydrophobicContact CE2-CG 4.33Å; Y130-R134 VanDerWaalsContact CZ-CD 3.49Å; Y130-R134 WeakPolarHBondContact O-CG 3.27Å; Y130-R134 PolarHBondContact O-N 3.31Å
131	Q	87.6	Confident	87.1	Confident	48 Å²	48	73.1 Å²	73.1	22%	0.224	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-41.7	178.1	-69.1	-77.1	57	0	0	112.2	Y127 V128 L129 E133 R134 Q135	Y127-Q131 HydrophobicContact CD1-CG 3.87Å; Y127-Q131 HydrophobicContact CE1-CG 3.58Å; Y127-Q131 VanDerWaalsContact O-CG 3.28Å; Y127-Q131 WeakPolarHBondContact O-CG 3.49Å; Y127-Q131 PolarHBondContact O-N 3.34Å; Y127-Q131 PolarHBondContact OH-NE2 2.88Å; V128-Q131 PolarHBondContact O-N 2.97Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 2.88Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.77Å; Q131-R134 PolarHBondContact O-N 3.17Å; Q131-Q135 PolarHBondContact O-N 3.2Å
132	Q	86.4	Confident	85.3	Confident	48 Å²	48	78 Å²	78	22%	0.224	39%	0.39	C	S	.	.	H	α-helix	trans	-58.2	-46.9	174	-73.2	176.5	-11.6	0	0	111.4	P106 V128 L129 R134 Q135 K136	P106-Q132 HydrophobicContact CB-CG 3.73Å; P106-Q132 HydrophobicContact CG-CG 3.76Å; V128-Q132 WeakPolarHBondContact O-CG 3.4Å; V128-Q132 PolarHBondContact O-N 2.84Å; L129-Q132 PolarHBondContact O-N 2.91Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; Q132-R134 PolarHBondContact O-N 3.19Å; Q132-Q135 PolarHBondContact O-N 3.44Å; Q132-K136 WeakPolarHBondContact O-CG 3.46Å; Q132-K136 PolarHBondContact O-N 2.9Å
133	E	86.9	Confident	83.4	Confident	78 Å²	78	81.2 Å²	81.2	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-41	178.5	179.8	58.7	-161.4	0	0	111.9	L129 Y130 Q131 Q135 K136 R137	L129-E133 WeakPolarHBondContact O-CB 3.21Å; L129-E133 PolarHBondContact O-N 3.26Å; Y130-E133 PolarHBondContact O-N 3.23Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.77Å; E133-Q135 VanDerWaalsContact C-N 3.35Å; E133-Q135 PolarHBondContact O-N 3.38Å; E133-K136 PolarHBondContact O-N 3Å; E133-R137 WeakPolarHBondContact O-CG 3.2Å; E133-R137 PolarHBondContact O-N 3.34Å; E133-R137 IonicContact OE1-CZ 3.48Å; E133-R137 VanDerWaalsContact OE1-CZ 3.3Å; E133-R137 IonicContact OE1-NE 3.49Å; E133-R137 PolarHBondContact OE1-NE 3.29Å; E133-R137 IonicContact OE1-NH2 3.63Å; E133-R137 PolarHBondContact OE1-NH2 2.89Å
134	R	86.2	Confident	81.5	Confident	98 Å²	98	87.9 Å²	87.9	37%	0.37	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-38.6	174.6	-74.1	-177.8	78.1	-179.5	10.5	113	Y130 Q131 Q132 R137 R138	Y130-R134 HydrophobicContact CE1-CG 4.23Å; Y130-R134 HydrophobicContact CE2-CG 4.33Å; Y130-R134 VanDerWaalsContact CZ-CD 3.49Å; Y130-R134 WeakPolarHBondContact O-CG 3.27Å; Y130-R134 PolarHBondContact O-N 3.31Å; Q131-R134 PolarHBondContact O-N 3.17Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; Q132-R134 PolarHBondContact O-N 3.19Å; R134-R137 PolarHBondContact O-N 3.21Å; R134-R138 WeakPolarHBondContact O-CG 3.49Å; R134-R138 PolarHBondContact O-N 3.5Å
135	Q	83.8	Confident	79.5	Confident	119 Å²	119	93.6 Å²	93.6	56%	0.556	48%	0.482	S	S	*	.	H	α-helix	trans	-65.9	-45.3	178	-170.3	168	-4.4	0	0	110.5	Q131 Q132 E133 R137 R138 T139	Q131-Q135 PolarHBondContact O-N 3.2Å; Q132-Q135 PolarHBondContact O-N 3.44Å; E133-Q135 VanDerWaalsContact C-N 3.35Å; E133-Q135 PolarHBondContact O-N 3.38Å; Q135-R137 VanDerWaalsContact C-N 3.35Å; Q135-R137 PolarHBondContact O-N 2.95Å; Q135-R138 PolarHBondContact O-N 3.25Å; Q135-R138 VanDerWaalsContact O-N 3.16Å; Q135-T139 PolarHBondContact O-N 3.34Å; Q135-T139 PolarHBondContact O-OG1 3.38Å
136	K	83.1	Confident	77.7	Confident	130 Å²	130	96.7 Å²	96.7	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-58	-42.5	173.7	-70.6	175.9	-177.9	177.3	0	112.8	Q132 E133 T139 A140	Q132-K136 WeakPolarHBondContact O-CG 3.46Å; Q132-K136 PolarHBondContact O-N 2.9Å; E133-K136 PolarHBondContact O-N 3Å; K136-T139 WeakPolarHBondContact CA-OG1 3.25Å; K136-T139 PolarHBondContact O-OG1 3.44Å; K136-A140 VanDerWaalsContact O-CB 3.25Å; K136-A140 WeakPolarHBondContact O-CB 3.25Å; K136-A140 PolarHBondContact O-N 2.95Å
137	R	83.9	Confident	76	Confident	169 Å²	169	95 Å²	95	64%	0.638	50%	0.497	S	S	*	.	H	α-helix	trans	-65.8	-36.7	176.4	-72.1	176.5	-169.9	-167.7	3.9	112.8	E133 R134 Q135 G141	E133-R137 WeakPolarHBondContact O-CG 3.2Å; E133-R137 PolarHBondContact O-N 3.34Å; E133-R137 IonicContact OE1-CZ 3.48Å; E133-R137 VanDerWaalsContact OE1-CZ 3.3Å; E133-R137 IonicContact OE1-NE 3.49Å; E133-R137 PolarHBondContact OE1-NE 3.29Å; E133-R137 IonicContact OE1-NH2 3.63Å; E133-R137 PolarHBondContact OE1-NH2 2.89Å; R134-R137 PolarHBondContact O-N 3.21Å; Q135-R137 VanDerWaalsContact C-N 3.35Å; Q135-R137 PolarHBondContact O-N 2.95Å; R137-G141 PolarHBondContact O-N 2.97Å
138	R	80.9	Confident	74.2	Confident	172 Å²	172	103.5 Å²	103.5	65%	0.649	53%	0.529	S	S	*	.	H	α-helix	trans	-69.5	-43.3	177.9	-79.3	173.6	165.4	175.2	-6.7	112.1	R134 Q135 G141 S142	R134-R138 WeakPolarHBondContact O-CG 3.49Å; R134-R138 PolarHBondContact O-N 3.5Å; Q135-R138 PolarHBondContact O-N 3.25Å; Q135-R138 VanDerWaalsContact O-N 3.16Å; R138-G141 PolarHBondContact O-N 3.47Å; R138-S142 WeakPolarHBondContact O-CB 3.38Å; R138-S142 PolarHBondContact O-N 3.24Å
139	T	76.9	Confident	72.6	Confident	84 Å²	84	110.3 Å²	110.3	52%	0.515	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-44.4	175.9	51	0	0	0	0	110.5	Q135 K136 G141 S142 S143	Q135-T139 PolarHBondContact O-N 3.34Å; Q135-T139 PolarHBondContact O-OG1 3.38Å; K136-T139 WeakPolarHBondContact CA-OG1 3.25Å; K136-T139 PolarHBondContact O-OG1 3.44Å; T139-G141 VanDerWaalsContact C-N 3.33Å; T139-G141 PolarHBondContact O-N 2.97Å; T139-S142 PolarHBondContact O-N 2.93Å; T139-S143 PolarHBondContact O-OG 2.75Å
140	A	73.2	Confident	71.2	Confident	75 Å²	75	108.2 Å²	108.2	62%	0.62	55%	0.551	S	S	*	*	H	α-helix	trans	-62.6	-35.2	175.7	0	0	0	0	0	113.8	K136 S142	K136-A140 VanDerWaalsContact O-CB 3.25Å; K136-A140 WeakPolarHBondContact O-CB 3.25Å; K136-A140 PolarHBondContact O-N 2.95Å; A140-S142 VanDerWaalsContact C-N 3.34Å
141	G	64.8	Low	69.8	Low	72 Å²	72	105.1 Å²	105.1	74%	0.742	54%	0.543	S	S	*	.	H	α-helix	trans	-78.5	-11.8	177.6	0	0	0	0	0	115.1	R137 R138 T139	R137-G141 PolarHBondContact O-N 2.97Å; R138-G141 PolarHBondContact O-N 3.47Å; T139-G141 VanDerWaalsContact C-N 3.33Å; T139-G141 PolarHBondContact O-N 2.97Å
142	S	59.4	Low	68.5	Low	102 Å²	102	106.5 Å²	106.5	71%	0.713	56%	0.557	S	S	*	*	H	α-helix	trans	-94.3	-11.3	179.1	-174.2	0	0	0	0	113.4	R138 T139 A140 Q144	R138-S142 WeakPolarHBondContact O-CB 3.38Å; R138-S142 PolarHBondContact O-N 3.24Å; T139-S142 PolarHBondContact O-N 2.93Å; A140-S142 VanDerWaalsContact C-N 3.34Å; S142-Q144 PolarHBondContact O-N 3.22Å
143	S	55.7	Low	67.1	Low	71 Å²	71	110.4 Å²	110.4	50%	0.497	58%	0.58	S	S	.	*			trans	-90.2	85.5	-175.2	-53.7	0	0	0	0	111.8	T139	T139-S143 PolarHBondContact O-OG 2.75Å
144	Q	56.9	Low	65.5	Low	193 Å²	193	114.7 Å²	114.7	90%	0.902	60%	0.597	S	S	*	*	S	Bend	trans	-92.3	-4.4	165.1	-109.3	-179.8	2.4	0	0	113.9	S142	S142-Q144 PolarHBondContact O-N 3.22Å
145	T	53.4	Low	63.8	Low	121 Å²	121	118.2 Å²	118.2	74%	0.742	61%	0.612	S	S	*	*	S	Bend	trans	-161.2	123.7	161.4	-27.7	0	0	0	0	108	S147	T145-S147 PolarHBondContact O-N 3.42Å
146	P	56.8	Low	61.9	Low	79 Å²	79	118.2 Å²	118.2	51%	0.513	62%	0.622	S	S	.	*			trans	-67.8	120.2	177.4	25.8	-30.6	0	0	0	109.7	D150	P146-D150 WeakPolarHBondContact CA-OD2 3.24Å; P146-D150 HydrophobicContact CB-CB 4.12Å
147	S	57.8	Low	60.1	Low	50 Å²	50	117 Å²	117	35%	0.35	63%	0.626	S	S	.	*			trans	-65.5	156.9	168.3	162.3	0	0	0	0	109.9	T145 Q149 D150 I151	T145-S147 PolarHBondContact O-N 3.42Å; S147-Q149 PolarHBondContact O-N 2.89Å; S147-Q149 VanDerWaalsContact O-N 3.08Å; S147-Q149 PolarHBondContact OG-N 2.9Å; S147-D150 PolarHBondContact N-OD2 2.75Å; S147-D150 WeakPolarHBondContact O-CB 3.4Å; S147-D150 PolarHBondContact O-N 2.75Å; S147-I151 PolarHBondContact O-N 3.29Å
148	W	55.1	Low	58.4	Low	222 Å²	222	118.4 Å²	118.4	84%	0.841	64%	0.639	S	S	*	*	H	α-helix	trans	-54.7	-25.5	170.6	-73.9	107.1	0	0	0	112.8	I151 S152	W148-I151 HydrophobicContact CE3-CD1 4.24Å; W148-I151 PolarHBondContact O-N 2.93Å; W148-S152 PolarHBondContact O-N 3.09Å; W148-S152 VanDerWaalsContact O-N 3.09Å
149	Q	58.5	Low	56.8	Low	144 Å²	144	117.1 Å²	117.1	67%	0.673	65%	0.645	S	S	*	*	H	α-helix	trans	-68.4	-41.5	172.4	-68.7	164.9	-17.5	0	0	112.1	S147 I151 S152 D153	S147-Q149 PolarHBondContact O-N 2.89Å; S147-Q149 VanDerWaalsContact O-N 3.08Å; S147-Q149 PolarHBondContact OG-N 2.9Å; Q149-I151 PolarHBondContact O-N 3.16Å; Q149-S152 WeakPolarHBondContact O-CB 3.09Å; Q149-S152 PolarHBondContact O-N 3.35Å; Q149-S152 VanDerWaalsContact O-N 3.13Å; Q149-D153 PolarHBondContact O-N 2.73Å
150	D	58.5	Low	55.6	Low	61 Å²	61	124 Å²	124	33%	0.326	66%	0.662	S	S	.	*	H	α-helix	trans	-66.8	-23.6	177.4	-60.5	-45.6	0	0	0	112.7	P146 S147 K154	P146-D150 WeakPolarHBondContact CA-OD2 3.24Å; P146-D150 HydrophobicContact CB-CB 4.12Å; S147-D150 PolarHBondContact N-OD2 2.75Å; S147-D150 WeakPolarHBondContact O-CB 3.4Å; S147-D150 PolarHBondContact O-N 2.75Å; D150-K154 WeakPolarHBondContact O-CG 3.47Å
151	I	60.7	Low	54.8	Low	72 Å²	72	125.8 Å²	125.8	37%	0.369	67%	0.668	S	S	.	*	H	α-helix	trans	-82.2	-37.4	175	-60.7	172.8	0	0	0	110.2	S147 W148 Q149 K154	S147-I151 PolarHBondContact O-N 3.29Å; W148-I151 HydrophobicContact CE3-CD1 4.24Å; W148-I151 PolarHBondContact O-N 2.93Å; Q149-I151 PolarHBondContact O-N 3.16Å; I151-K154 PolarHBondContact O-N 3.45Å
152	S	59.9	Low	55	Low	76 Å²	76	128.3 Å²	128.3	53%	0.531	66%	0.66	S	S	.	*	H	α-helix	trans	-65.5	-39.9	174.2	-169.6	0	0	0	0	112	W148 Q149 K154 Y155	W148-S152 PolarHBondContact O-N 3.09Å; W148-S152 VanDerWaalsContact O-N 3.09Å; Q149-S152 WeakPolarHBondContact O-CB 3.09Å; Q149-S152 PolarHBondContact O-N 3.35Å; Q149-S152 VanDerWaalsContact O-N 3.13Å; S152-K154 PolarHBondContact O-N 3.07Å; S152-Y155 WeakPolarHBondContact O-CB 3.45Å; S152-Y155 PolarHBondContact O-N 2.87Å; S152-Y155 VanDerWaalsContact O-N 3.16Å
153	D	56	Low	56.2	Low	131 Å²	131	129.3 Å²	129.3	70%	0.701	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-15.7	176.7	-73.8	-14	0	0	0	113.4	Q149	Q149-D153 PolarHBondContact O-N 2.73Å
154	K	53.5	Low	58	Low	167 Å²	167	126.5 Å²	126.5	73%	0.726	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-11.4	173.5	-80	178.1	-178.3	179	0	113.4	D150 I151 S152	D150-K154 WeakPolarHBondContact O-CG 3.47Å; I151-K154 PolarHBondContact O-N 3.45Å; S152-K154 PolarHBondContact O-N 3.07Å
155	Y	50.5	Low	59.9	Low	172 Å²	172	123.7 Å²	123.7	68%	0.675	62%	0.615	S	S	*	*	S	Bend	trans	-74.7	128.2	163.4	-87.1	-92.6	0	0	0	107.8	S152 T157	S152-Y155 WeakPolarHBondContact O-CB 3.45Å; S152-Y155 PolarHBondContact O-N 2.87Å; S152-Y155 VanDerWaalsContact O-N 3.16Å; Y155-T157 VanDerWaalsContact C-N 3.34Å; Y155-T157 PolarHBondContact O-N 2.97Å
156	P	45.2	Very low	62	Low	120 Å²	120	117.9 Å²	117.9	78%	0.779	58%	0.58	S	S	*	*			trans	-67.6	95.9	-179.6	27	-31	0	0	0	108.8
157	T	45.4	Very low	63.9	Low	105 Å²	105	115.1 Å²	115.1	64%	0.644	56%	0.561	S	S	*	*			trans	-61.2	136.6	148.5	47.1	0	0	0	0	106.6	Y155 D159	Y155-T157 VanDerWaalsContact C-N 3.34Å; Y155-T157 PolarHBondContact O-N 2.97Å; T157-D159 PolarHBondContact O-N 3.06Å
158	E	46.4	Very low	65.9	Low	197 Å²	197	112.7 Å²	112.7	92%	0.921	54%	0.544	S	S	*	.	S	Bend	trans	-60.9	-2.9	-175.2	-65	-153.1	149.7	0	0	114.9	R160	E158-R160 VanDerWaalsContact C-N 3.29Å; E158-R160 PolarHBondContact O-N 2.82Å
159	D	47.4	Very low	67.9	Low	145 Å²	145	102.1 Å²	102.1	78%	0.775	50%	0.504	S	S	*	.			trans	-73.4	76	171	-72.8	-31.2	0	0	0	111.9	T157	T157-D159 PolarHBondContact O-N 3.06Å
160	R	51.5	Low	69.8	Low	228 Å²	228	96 Å²	96	86%	0.86	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-59	134.8	158.4	-70.7	-173.4	-162.2	-170.4	5.9	108.1	E158 Q162	E158-R160 VanDerWaalsContact C-N 3.29Å; E158-R160 PolarHBondContact O-N 2.82Å; R160-Q162 PolarHBondContact O-N 2.82Å; R160-Q162 VanDerWaalsContact O-N 3.11Å
161	P	57.2	Low	71.6	Confident	114 Å²	114	96.8 Å²	96.8	74%	0.74	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-52.5	124.6	172.8	-21.2	29.7	0	0	0	109.1	E163	P161-E163 PolarHBondContact O-N 2.81Å; P161-E163 VanDerWaalsContact O-N 3.13Å
162	Q	68.4	Low	73.2	Confident	125 Å²	125	93.5 Å²	93.5	58%	0.584	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-55.5	123.5	177.3	-170.5	162.3	16.9	0	0	108.3	G107 R160	G107-Q162 WeakPolarHBondContact CA-O 3.47Å; R160-Q162 PolarHBondContact O-N 2.82Å; R160-Q162 VanDerWaalsContact O-N 3.11Å
163	E	85.8	Confident	74.8	Confident	122 Å²	122	95.9 Å²	95.9	57%	0.57	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-68.9	136.1	178.6	-71.7	179.9	171.1	0	0	109.5	P161	P161-E163 PolarHBondContact O-N 2.81Å; P161-E163 VanDerWaalsContact O-N 3.13Å
164	S	93.1	Very high	76.6	Confident	13 Å²	13	93 Å²	93	9%	0.091	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-63.2	138.4	172.2	-51.3	0	0	0	0	110	G107 A108 V128	G107-S164 PolarHBondContact N-OG 3.39Å; A108-S164 WeakPolarHBondContact O-CA 3.43Å; V128-S164 WeakPolarHBondContact CG1-OG 3.44Å
165	R	95.9	Very high	78.4	Confident	133 Å²	133	85.3 Å²	85.3	50%	0.502	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.2	-180	-66.8	179.6	-178.7	159.3	0.8	110.2	A108 R109 L110 G191	A108-R165 PolarHBondContact O-N 2.83Å; A108-R165 VanDerWaalsContact O-N 3.17Å; R109-R165 CarbonylContact C-O 3.49Å; R109-R165 WeakPolarHBondContact CA-O 3.49Å; L110-R165 PolarHBondContact N-O 2.97Å; R165-G191 CarbonylContact C-O 3.54Å; R165-G191 WeakPolarHBondContact CA-O 3.19Å
166	A	97.6	Very high	80.5	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.6	170.9	0	0	0	0	0	109.5	L110 F124 L125 G191 L192 S193	L110-A166 HydrophobicContact CB-CB 4.25Å; L110-A166 HydrophobicContact CD2-CB 4.14Å; L110-A166 CarbonylContact O-C 3.48Å; L110-A166 WeakPolarHBondContact O-CA 3.48Å; F124-A166 HydrophobicContact CD1-CB 4.04Å; F124-A166 HydrophobicContact CE1-CB 4.35Å; L125-A166 HydrophobicContact CD2-CB 4.43Å; L125-A166 HydrophobicContact CG-CB 4.44Å; A166-G191 PolarHBondContact N-O 3.07Å; A166-L192 HydrophobicContact CB-CD1 3.87Å; A166-L192 CarbonylContact O-C 3.58Å; A166-L192 WeakPolarHBondContact O-CA 3.42Å; A166-S193 PolarHBondContact O-N 3.22Å
167	V	98.4	Very high	82.9	Confident	20 Å²	20	76.4 Å²	76.4	12%	0.121	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.3	171.3	-178.1	0	0	0	0	107.4	L110 L111 D112 S193 V195 F204 F209	L110-V167 PolarHBondContact O-N 2.83Å; L111-V167 HydrophobicContact CD1-CB 4.07Å; L111-V167 HydrophobicContact CD1-CG1 4.05Å; D112-V167 PolarHBondContact N-O 3.36Å; V167-S193 CarbonylContact C-O 3.38Å; V167-S193 WeakPolarHBondContact CA-O 3.25Å; V167-V195 HydrophobicContact CG1-CB 4.46Å; V167-V195 HydrophobicContact CG1-CG2 3.81Å; V167-F204 HydrophobicContact CG1-CE1 4.03Å; V167-F204 HydrophobicContact CG1-CZ 3.8Å; V167-F209 HydrophobicContact CB-CE1 4.04Å; V167-F209 HydrophobicContact CB-CZ 4.4Å; V167-F209 HydrophobicContact CG2-CE1 3.75Å; V167-F209 HydrophobicContact CG2-CZ 4.26Å
168	V	98.4	Very high	85.1	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.7	171.6	-178.8	0	0	0	0	108.3	G115 S121 L176 L192 S193 W194 V195	G115-V168 WeakPolarHBondContact O-CG1 3.36Å; S121-V168 VanDerWaalsContact OG-CG2 3.28Å; S121-V168 WeakPolarHBondContact OG-CG2 3.42Å; V168-L176 HydrophobicContact CG1-CD2 3.87Å; V168-L192 HydrophobicContact CG2-CD1 3.92Å; V168-S193 PolarHBondContact N-O 3.19Å; V168-W194 HydrophobicContact CB-CD2 4.27Å; V168-W194 HydrophobicContact CB-CE3 3.55Å; V168-W194 HydrophobicContact CB-CZ3 3.78Å; V168-W194 HydrophobicContact CG1-CE3 3.67Å; V168-W194 HydrophobicContact CG1-CZ3 3.62Å; V168-W194 HydrophobicContact CG2-CE3 3.97Å; V168-W194 HydrophobicContact CG2-CH2 4.24Å; V168-W194 HydrophobicContact CG2-CZ3 3.81Å; V168-W194 CarbonylContact O-C 3.57Å; V168-W194 WeakPolarHBondContact O-CA 3.39Å; V168-V195 PolarHBondContact O-N 3.22Å
169	C	98.3	Very high	87.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.7	176.3	-169.9	0	0	0	0	109.9	L111 D112 V113 A114 V195 F204	L111-C169 HydrophobicContact CD1-CB 3.97Å; D112-C169 PolarHBondContact O-N 3.48Å; V113-C169 CarbonylContact C-O 3.34Å; V113-C169 WeakPolarHBondContact CA-O 3.24Å; V113-C169 HydrophobicContact CG2-CB 4.41Å; A114-C169 PolarHBondContact N-O 2.86Å; C169-V195 WeakPolarHBondContact CA-O 3.48Å; C169-F204 HydrophobicContact CB-CE2 4.19Å; C169-F204 HydrophobicContact CB-CZ 4.31Å
170	D	97.7	Very high	89.7	Confident	15 Å²	15	62.3 Å²	62.3	8%	0.08	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.1	176.1	-156.6	-63.1	0	0	0	110.3	A114 G116 N172 L176 V195 V196 G197	A114-D170 VanDerWaalsContact C-OD2 3.24Å; A114-D170 WeakPolarHBondContact CA-OD2 3.25Å; G116-D170 VanDerWaalsContact CA-OD2 3.3Å; G116-D170 WeakPolarHBondContact CA-OD2 3.42Å; G116-D170 PolarHBondContact N-OD2 3.32Å; D170-N172 VanDerWaalsContact C-N 3.27Å; D170-N172 WeakPolarHBondContact OD1-CB 3.36Å; D170-N172 PolarHBondContact OD1-N 3.48Å; D170-L176 HydrophobicContact CB-CD1 4.26Å; D170-L176 HydrophobicContact CB-CD2 3.71Å; D170-L176 HydrophobicContact CB-CG 3.84Å; D170-V195 PolarHBondContact N-O 3.35Å; D170-V195 VanDerWaalsContact N-O 3.15Å; D170-V196 VanDerWaalsContact O-CA 3.3Å; D170-V196 WeakPolarHBondContact O-CA 3.47Å; D170-G197 CarbonylContact C-O 3.58Å; D170-G197 PolarHBondContact O-N 3.39Å
171	I	95.9	Very high	91.8	Very high	78 Å²	78	56.9 Å²	56.9	40%	0.4	27%	0.271	S	S	.	.	S	Bend	trans	-72.7	-26.5	177	-163.1	170.8	0	0	0	111.2	G197 D198	I171-G197 WeakPolarHBondContact CA-O 3.37Å; I171-G197 PolarHBondContact N-O 3.12Å; I171-G197 VanDerWaalsContact N-O 3.14Å; I171-D198 HydrophobicContact CD1-CB 4.37Å
172	N	94.4	Very high	93.5	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.011	25%	0.248	C	C	.	.			trans	-90.5	114.7	-176.2	-170.3	-44.7	0	0	0	112	Y69 E73 D170 E174 M175 L176	Y69-N172 HydrophobicContact CE2-CB 4.24Å; Y69-N172 PolarHBondContact O-ND2 2.78Å; E73-N172 PolarHBondContact N-ND2 2.78Å; D170-N172 VanDerWaalsContact C-N 3.27Å; D170-N172 WeakPolarHBondContact OD1-CB 3.36Å; D170-N172 PolarHBondContact OD1-N 3.48Å; N172-E174 PolarHBondContact O-N 3.22Å; N172-E174 WeakPolarHBondContact OD1-CB 3.28Å; N172-E174 PolarHBondContact OD1-N 2.79Å; N172-M175 HydrophobicContact CB-CB 4.1Å; N172-M175 HydrophobicContact CB-CG 3.81Å; N172-M175 PolarHBondContact O-N 3.03Å; N172-M175 PolarHBondContact OD1-N 2.92Å; N172-M175 VanDerWaalsContact OD1-N 3.16Å; N172-L176 PolarHBondContact O-N 2.85Å
173	K	94.4	Very high	94.8	Very high	127 Å²	127	48.9 Å²	48.9	55%	0.552	22%	0.221	S	C	*	.	H	α-helix	trans	-67	-34.9	-178.5	-65.8	-179.7	-178.7	175.8	0	113.4	L176 K177 V196	K173-L176 PolarHBondContact O-N 3.23Å; K173-K177 WeakPolarHBondContact O-CB 3.39Å; K173-K177 PolarHBondContact O-N 3.37Å; K173-V196 HydrophobicContact CG-CG1 4.16Å; K173-V196 HydrophobicContact CG-CG2 3.94Å
174	E	92.5	Very high	95.2	Very high	70 Å²	70	48.8 Å²	48.8	33%	0.327	23%	0.225	S	C	.	.	H	α-helix	trans	-70.1	-36	178.9	-67.5	-55.5	119.2	0	0	111.1	A76 N172 K177 M178	A76-E174 HydrophobicContact CB-CB 4.45Å; N172-E174 PolarHBondContact O-N 3.22Å; N172-E174 WeakPolarHBondContact OD1-CB 3.28Å; N172-E174 PolarHBondContact OD1-N 2.79Å; E174-K177 WeakPolarHBondContact O-CB 3.37Å; E174-K177 PolarHBondContact O-N 2.91Å; E174-K177 IonicContact OE1-NZ 3.3Å; E174-K177 IonicContact OE2-NZ 3.66Å; E174-K177 PolarHBondContact OE2-NZ 3.15Å; E174-M178 WeakPolarHBondContact O-CG 3.43Å; E174-M178 PolarHBondContact O-N 3.44Å
175	M	92.1	Very high	95.2	Very high	6 Å²	6	53 Å²	53	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-49.6	173.1	-67.5	-66.2	-77.6	0	0	111.1	A76 Y79 G116 T117 N172 K177 M178 G179	A76-M175 HydrophobicContact CB-CG 4.46Å; A76-M175 HydrophobicContact CB-SD 3.63Å; Y79-M175 HydrophobicContact CD1-CE 3.99Å; Y79-M175 HydrophobicContact CD2-CE 4.14Å; Y79-M175 HydrophobicContact CE1-CE 4.19Å; Y79-M175 HydrophobicContact CE2-CE 4.41Å; Y79-M175 HydrophobicContact CG-CE 3.93Å; G116-M175 CarbonylContact C-O 3.26Å; G116-M175 CarbonylContact O-C 3.27Å; T117-M175 HydrophobicContact CG2-CE 3.65Å; N172-M175 HydrophobicContact CB-CB 4.1Å; N172-M175 HydrophobicContact CB-CG 3.81Å; N172-M175 PolarHBondContact O-N 3.03Å; N172-M175 PolarHBondContact OD1-N 2.92Å; N172-M175 VanDerWaalsContact OD1-N 3.16Å; M175-K177 VanDerWaalsContact C-N 3.29Å; M175-K177 PolarHBondContact O-N 3.02Å; M175-M178 WeakPolarHBondContact O-CB 3.42Å; M175-M178 PolarHBondContact O-N 3Å; M175-M178 VanDerWaalsContact O-N 3.16Å; M175-G179 PolarHBondContact O-N 3.4Å
176	L	95.3	Very high	95	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-37.1	176.8	-66.2	169.1	0	0	0	112.7	V168 D170 N172 K173 G179 K180 W194 V195 V196	V168-L176 HydrophobicContact CG1-CD2 3.87Å; D170-L176 HydrophobicContact CB-CD1 4.26Å; D170-L176 HydrophobicContact CB-CD2 3.71Å; D170-L176 HydrophobicContact CB-CG 3.84Å; N172-L176 PolarHBondContact O-N 2.85Å; K173-L176 PolarHBondContact O-N 3.23Å; L176-G179 PolarHBondContact O-N 3.44Å; L176-K180 WeakPolarHBondContact O-CB 3.45Å; L176-K180 VanDerWaalsContact O-CG 3.27Å; L176-K180 WeakPolarHBondContact O-CG 3.3Å; L176-K180 PolarHBondContact O-N 2.87Å; L176-W194 HydrophobicContact CD2-CE3 3.68Å; L176-W194 HydrophobicContact CD2-CZ3 4.32Å; L176-V195 WeakPolarHBondContact CD1-O 3.33Å; L176-V196 HydrophobicContact CD1-CB 4.24Å; L176-V196 HydrophobicContact CD1-CG2 3.54Å
177	K	94.9	Very high	94.8	Very high	100 Å²	100	53.2 Å²	53.2	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-42.1	176	176.5	-179.4	164.3	-161.9	0	111.3	K173 E174 M175 K180 Q181	K173-K177 WeakPolarHBondContact O-CB 3.39Å; K173-K177 PolarHBondContact O-N 3.37Å; E174-K177 WeakPolarHBondContact O-CB 3.37Å; E174-K177 PolarHBondContact O-N 2.91Å; E174-K177 IonicContact OE1-NZ 3.3Å; E174-K177 IonicContact OE2-NZ 3.66Å; E174-K177 PolarHBondContact OE2-NZ 3.15Å; M175-K177 VanDerWaalsContact C-N 3.29Å; M175-K177 PolarHBondContact O-N 3.02Å; K177-K180 PolarHBondContact O-N 3.21Å; K177-Q181 WeakPolarHBondContact O-CG 3.43Å; K177-Q181 PolarHBondContact O-N 2.83Å; K177-Q181 VanDerWaalsContact O-N 3.08Å
178	M	92.3	Very high	94.4	Very high	58 Å²	58	53.9 Å²	53.9	29%	0.286	28%	0.278	S	S	.	.	H	α-helix	trans	-65.2	-42.6	173.2	-71.5	-166	74.9	0	0	112.4	A76 Q77 E174 M175 K180 Q181 R182	A76-M178 HydrophobicContact CB-SD 3.83Å; Q77-M178 HydrophobicContact CG-SD 4.26Å; Q77-M178 PolarHBondContact N-SD 3.36Å; E174-M178 WeakPolarHBondContact O-CG 3.43Å; E174-M178 PolarHBondContact O-N 3.44Å; M175-M178 WeakPolarHBondContact O-CB 3.42Å; M175-M178 PolarHBondContact O-N 3Å; M175-M178 VanDerWaalsContact O-N 3.16Å; M178-K180 VanDerWaalsContact C-N 3.33Å; M178-K180 PolarHBondContact O-N 3.27Å; M178-Q181 PolarHBondContact O-N 3.12Å; M178-R182 WeakPolarHBondContact O-CB 3.45Å; M178-R182 PolarHBondContact O-N 3.22Å
179	G	94.9	Very high	93.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-44.6	174.4	0	0	0	0	0	112.6	G116 M175 L176 R182 A183 W194	G116-G179 WeakPolarHBondContact O-CA 3.44Å; M175-G179 PolarHBondContact O-N 3.4Å; L176-G179 PolarHBondContact O-N 3.44Å; G179-R182 PolarHBondContact O-N 3.04Å; G179-A183 PolarHBondContact O-N 2.91Å; G179-W194 WeakPolarHBondContact O-CH2 3.28Å; G179-W194 WeakPolarHBondContact O-CZ2 3.36Å
180	K	95.5	Very high	93.1	Very high	93 Å²	93	64.3 Å²	64.3	40%	0.404	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-49.7	175.1	-74.5	170.3	-177.1	-178.1	0	112.1	L176 K177 M178 R182 A183 D184 W194	L176-K180 WeakPolarHBondContact O-CB 3.45Å; L176-K180 VanDerWaalsContact O-CG 3.27Å; L176-K180 WeakPolarHBondContact O-CG 3.3Å; L176-K180 PolarHBondContact O-N 2.87Å; K177-K180 PolarHBondContact O-N 3.21Å; M178-K180 VanDerWaalsContact C-N 3.33Å; M178-K180 PolarHBondContact O-N 3.27Å; K180-R182 PolarHBondContact O-N 2.95Å; K180-A183 WeakPolarHBondContact O-CB 3.36Å; K180-A183 PolarHBondContact O-N 2.93Å; K180-A183 VanDerWaalsContact O-N 3.13Å; K180-D184 VanDerWaalsContact O-CG 3.3Å; K180-D184 PolarHBondContact O-N 3.42Å; K180-W194 HydrophobicContact CD-CG 4.28Å; K180-W194 VanDerWaalsContact CE-CG 3.43Å; K180-W194 HydrophobicContact CG-CD2 3.75Å; K180-W194 HydrophobicContact CG-CE3 4.45Å; K180-W194 HydrophobicContact CG-CG 3.78Å; K180-W194 HydrophobicContact CG-CZ2 4.27Å
181	Q	94.5	Very high	92.8	Very high	115 Å²	115	64.4 Å²	64.4	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-57.9	-38.6	176.8	-72.1	174.6	-11.8	0	0	112.2	K177 M178 D184 S185	K177-Q181 WeakPolarHBondContact O-CG 3.43Å; K177-Q181 PolarHBondContact O-N 2.83Å; K177-Q181 VanDerWaalsContact O-N 3.08Å; M178-Q181 PolarHBondContact O-N 3.12Å; Q181-D184 PolarHBondContact O-N 2.57Å; Q181-S185 PolarHBondContact O-N 2.9Å
182	R	93.3	Very high	92.8	Very high	67 Å²	67	62 Å²	62	25%	0.253	34%	0.338	S	S	.	.	H	α-helix	trans	-67.5	-44.2	176.3	-175.5	167.9	169.9	178.3	-6.7	111.8	D80 D119 F122 M178 G179 K180 D184 S185 M186	D80-R182 IonicContact OD2-NH1 2.78Å; D80-R182 PolarHBondContact OD2-NH1 2.98Å; D80-R182 VanDerWaalsContact OD2-NH1 3.12Å; D119-R182 IonicContact OD1-NH2 3.92Å; F122-R182 HydrophobicContact CE2-CB 4.24Å; F122-R182 HydrophobicContact CE2-CG 3.78Å; F122-R182 HydrophobicContact CZ-CB 4.43Å; F122-R182 HydrophobicContact CZ-CG 4.39Å; M178-R182 WeakPolarHBondContact O-CB 3.45Å; M178-R182 PolarHBondContact O-N 3.22Å; G179-R182 PolarHBondContact O-N 3.04Å; K180-R182 PolarHBondContact O-N 2.95Å; R182-D184 VanDerWaalsContact C-N 3.31Å; R182-D184 PolarHBondContact O-N 3.07Å; R182-S185 PolarHBondContact O-N 3.23Å; R182-S185 PolarHBondContact O-OG 3.07Å; R182-M186 HydrophobicContact CG-SD 4.01Å; R182-M186 WeakPolarHBondContact O-CG 3.38Å; R182-M186 PolarHBondContact O-N 3.08Å
183	A	95.3	Very high	92.9	Very high	3 Å²	3	65 Å²	65	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-58.1	-44	174.5	0	0	0	0	0	111.8	F122 G179 K180 S185 M186 G187 I188 L192 W194	F122-A183 HydrophobicContact CE1-CB 3.79Å; F122-A183 HydrophobicContact CZ-CB 3.96Å; G179-A183 PolarHBondContact O-N 2.91Å; K180-A183 WeakPolarHBondContact O-CB 3.36Å; K180-A183 PolarHBondContact O-N 2.93Å; K180-A183 VanDerWaalsContact O-N 3.13Å; A183-S185 PolarHBondContact O-N 3.16Å; A183-M186 CarbonylContact O-C 3.57Å; A183-M186 PolarHBondContact O-N 3.06Å; A183-G187 PolarHBondContact O-N 2.82Å; A183-G187 VanDerWaalsContact O-N 3.08Å; A183-I188 HydrophobicContact CB-CB 4.32Å; A183-I188 PolarHBondContact O-N 3.36Å; A183-L192 HydrophobicContact CB-CD2 4.09Å; A183-W194 HydrophobicContact CB-CZ2 4Å
184	D	94.4	Very high	93.1	Very high	121 Å²	121	61.4 Å²	61.4	65%	0.647	34%	0.342	S	S	*	.	H	α-helix	trans	-60.5	-45.6	176	-65.4	-25.9	0	0	0	111.2	K180 Q181 R182 M186 G187	K180-D184 VanDerWaalsContact O-CG 3.3Å; K180-D184 PolarHBondContact O-N 3.42Å; Q181-D184 PolarHBondContact O-N 2.57Å; R182-D184 VanDerWaalsContact C-N 3.31Å; R182-D184 PolarHBondContact O-N 3.07Å; D184-M186 PolarHBondContact O-N 3.45Å; D184-G187 PolarHBondContact O-N 3.42Å
185	S	93.8	Very high	93.3	Very high	101 Å²	101	60 Å²	60	71%	0.706	34%	0.338	S	S	*	.	H	α-helix	trans	-64.6	-27.1	178.1	76.4	0	0	0	0	113.7	Q181 R182 A183	Q181-S185 PolarHBondContact O-N 2.9Å; R182-S185 PolarHBondContact O-N 3.23Å; R182-S185 PolarHBondContact O-OG 3.07Å; A183-S185 PolarHBondContact O-N 3.16Å
186	M	91.9	Very high	93.6	Very high	87 Å²	87	63.2 Å²	63.2	43%	0.429	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-6	176.4	-67.8	176.6	66.5	0	0	112.6	F122 R182 A183 D184 I188	F122-M186 HydrophobicContact CB-CE 4.34Å; F122-M186 HydrophobicContact CD2-CE 4.49Å; F122-M186 HydrophobicContact CD2-SD 3.94Å; F122-M186 HydrophobicContact CE2-SD 4.27Å; F122-M186 HydrophobicContact CG-SD 4.39Å; R182-M186 HydrophobicContact CG-SD 4.01Å; R182-M186 WeakPolarHBondContact O-CG 3.38Å; R182-M186 PolarHBondContact O-N 3.08Å; A183-M186 CarbonylContact O-C 3.57Å; A183-M186 PolarHBondContact O-N 3.06Å; D184-M186 PolarHBondContact O-N 3.45Å; M186-I188 VanDerWaalsContact C-N 3.33Å; M186-I188 HydrophobicContact CB-CD1 4.1Å; M186-I188 HydrophobicContact CB-CG1 4.02Å; M186-I188 HydrophobicContact CE-CD1 4.16Å; M186-I188 HydrophobicContact SD-CD1 4.42Å
187	G	91.9	Very high	93.7	Very high	51 Å²	51	63.5 Å²	63.5	53%	0.526	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	24.4	-177.3	0	0	0	0	0	114.2	A183 D184 T189	A183-G187 PolarHBondContact O-N 2.82Å; A183-G187 VanDerWaalsContact O-N 3.08Å; D184-G187 PolarHBondContact O-N 3.42Å; G187-T189 PolarHBondContact O-N 2.83Å
188	I	89.9	Confident	93.7	Very high	33 Å²	33	61.7 Å²	61.7	17%	0.169	36%	0.357	C	S	.	.			trans	-79.8	103	177.2	-58.9	173.7	0	0	0	108.5	F122 L125 A183 M186 L192	F122-I188 HydrophobicContact CB-CD1 4.17Å; F122-I188 HydrophobicContact CD1-CD1 3.41Å; F122-I188 VanDerWaalsContact CD1-CD1 3.41Å; F122-I188 HydrophobicContact CE1-CD1 3.96Å; F122-I188 HydrophobicContact CG-CD1 3.88Å; L125-I188 HydrophobicContact CD1-CG2 4.08Å; A183-I188 HydrophobicContact CB-CB 4.32Å; A183-I188 PolarHBondContact O-N 3.36Å; M186-I188 VanDerWaalsContact C-N 3.33Å; M186-I188 HydrophobicContact CB-CD1 4.1Å; M186-I188 HydrophobicContact CB-CG1 4.02Å; M186-I188 HydrophobicContact CE-CD1 4.16Å; M186-I188 HydrophobicContact SD-CD1 4.42Å; I188-L192 HydrophobicContact CG2-CB 4.37Å; I188-L192 HydrophobicContact CG2-CD2 4.39Å
189	T	81.3	Confident	94	Very high	138 Å²	138	59.4 Å²	59.4	85%	0.847	35%	0.347	S	S	*	.			trans	-106.6	-12	-173.4	54.5	0	0	0	0	114.6	G187	G187-T189 PolarHBondContact O-N 2.83Å
190	S	88.6	Confident	94.1	Very high	82 Å²	82	61 Å²	61	57%	0.573	36%	0.355	S	S	*	.	S	Bend	trans	-144.2	166.1	-177.4	67.4	0	0	0	0	112	L192	S190-L192 PolarHBondContact O-N 3.43Å
191	G	91.2	Very high	94.2	Very high	17 Å²	17	64 Å²	64	18%	0.175	37%	0.371	C	S	.	.	S	Bend	trans	74.3	3.2	177	0	0	0	0	0	115.1	R165 A166	R165-G191 CarbonylContact C-O 3.54Å; R165-G191 WeakPolarHBondContact CA-O 3.19Å; A166-G191 PolarHBondContact N-O 3.07Å
192	L	95.8	Very high	94.4	Very high	28 Å²	28	58.9 Å²	58.9	15%	0.147	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.3	-179.4	-166.4	67.4	0	0	0	111.5	F122 L125 A166 V168 A183 I188 S190 W194	F122-L192 HydrophobicContact CD1-CD2 4.17Å; F122-L192 HydrophobicContact CE1-CD2 3.59Å; L125-L192 HydrophobicContact CD1-CB 4.12Å; L125-L192 HydrophobicContact CD1-CD1 4.24Å; A166-L192 HydrophobicContact CB-CD1 3.87Å; A166-L192 CarbonylContact O-C 3.58Å; A166-L192 WeakPolarHBondContact O-CA 3.42Å; V168-L192 HydrophobicContact CG2-CD1 3.92Å; A183-L192 HydrophobicContact CB-CD2 4.09Å; I188-L192 HydrophobicContact CG2-CB 4.37Å; I188-L192 HydrophobicContact CG2-CD2 4.39Å; S190-L192 PolarHBondContact O-N 3.43Å; L192-W194 HydrophobicContact CD2-CH2 4.27Å; L192-W194 HydrophobicContact CD2-CZ2 3.38Å; L192-W194 HydrophobicContact CG-CZ2 4.28Å
193	S	97.2	Very high	94.6	Very high	64 Å²	64	59.3 Å²	59.3	45%	0.448	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.8	173.3	-63.3	0	0	0	0	110.2	A166 V167 V168	A166-S193 PolarHBondContact O-N 3.22Å; V167-S193 CarbonylContact C-O 3.38Å; V167-S193 WeakPolarHBondContact CA-O 3.25Å; V168-S193 PolarHBondContact N-O 3.19Å
194	W	98	Very high	94.7	Very high	51 Å²	51	60.8 Å²	60.8	19%	0.193	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.4	-174.6	-57.4	88.9	0	0	0	109.7	G116 F122 V168 L176 G179 K180 A183 L192	G116-W194 VanDerWaalsContact O-CZ3 3.32Å; G116-W194 WeakPolarHBondContact O-CZ3 3.3Å; F122-W194 HydrophobicContact CE1-CH2 4.16Å; F122-W194 HydrophobicContact CE1-CZ2 4.1Å; F122-W194 AromaticContact CZ-CH2 3.94Å; F122-W194 HydrophobicContact CZ-CH2 3.94Å; F122-W194 HydrophobicContact CZ-CZ2 4.17Å; V168-W194 HydrophobicContact CB-CD2 4.27Å; V168-W194 HydrophobicContact CB-CE3 3.55Å; V168-W194 HydrophobicContact CB-CZ3 3.78Å; V168-W194 HydrophobicContact CG1-CE3 3.67Å; V168-W194 HydrophobicContact CG1-CZ3 3.62Å; V168-W194 HydrophobicContact CG2-CE3 3.97Å; V168-W194 HydrophobicContact CG2-CH2 4.24Å; V168-W194 HydrophobicContact CG2-CZ3 3.81Å; V168-W194 CarbonylContact O-C 3.57Å; V168-W194 WeakPolarHBondContact O-CA 3.39Å; L176-W194 HydrophobicContact CD2-CE3 3.68Å; L176-W194 HydrophobicContact CD2-CZ3 4.32Å; G179-W194 WeakPolarHBondContact O-CH2 3.28Å; G179-W194 WeakPolarHBondContact O-CZ2 3.36Å; K180-W194 HydrophobicContact CD-CG 4.28Å; K180-W194 VanDerWaalsContact CE-CG 3.43Å; K180-W194 HydrophobicContact CG-CD2 3.75Å; K180-W194 HydrophobicContact CG-CE3 4.45Å; K180-W194 HydrophobicContact CG-CG 3.78Å; K180-W194 HydrophobicContact CG-CZ2 4.27Å; A183-W194 HydrophobicContact CB-CZ2 4Å; L192-W194 HydrophobicContact CD2-CH2 4.27Å; L192-W194 HydrophobicContact CD2-CZ2 3.38Å; L192-W194 HydrophobicContact CG-CZ2 4.28Å
195	V	98	Very high	94.9	Very high	40 Å²	40	60.8 Å²	60.8	24%	0.242	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.4	-175.9	179.6	0	0	0	0	109.1	V167 V168 C169 D170 L176 P203 F204	V167-V195 HydrophobicContact CG1-CB 4.46Å; V167-V195 HydrophobicContact CG1-CG2 3.81Å; V168-V195 PolarHBondContact O-N 3.22Å; C169-V195 WeakPolarHBondContact CA-O 3.48Å; D170-V195 PolarHBondContact N-O 3.35Å; D170-V195 VanDerWaalsContact N-O 3.15Å; L176-V195 WeakPolarHBondContact CD1-O 3.33Å; V195-P203 HydrophobicContact CG1-CG 3.68Å; V195-F204 HydrophobicContact CB-CE1 4.44Å; V195-F204 HydrophobicContact CB-CZ 4.03Å; V195-F204 HydrophobicContact CG1-CE1 4.24Å; V195-F204 HydrophobicContact CG1-CZ 3.93Å; V195-F204 HydrophobicContact CG2-CE1 4.05Å; V195-F204 HydrophobicContact CG2-CZ 4.07Å
196	V	97.9	Very high	95.1	Very high	74 Å²	74	60.3 Å²	60.3	45%	0.448	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.2	167.5	-177.4	0	0	0	0	106.8	D170 K173 L176	D170-V196 VanDerWaalsContact O-CA 3.3Å; D170-V196 WeakPolarHBondContact O-CA 3.47Å; K173-V196 HydrophobicContact CG-CG1 4.16Å; K173-V196 HydrophobicContact CG-CG2 3.94Å; L176-V196 HydrophobicContact CD1-CB 4.24Å; L176-V196 HydrophobicContact CD1-CG2 3.54Å
197	G	96.4	Very high	95.4	Very high	11 Å²	11	59.4 Å²	59.4	11%	0.113	35%	0.351	C	S	.	.			trans	-162.5	152.9	-178.2	0	0	0	0	0	112.4	D170 I171	D170-G197 CarbonylContact C-O 3.58Å; D170-G197 PolarHBondContact O-N 3.39Å; I171-G197 WeakPolarHBondContact CA-O 3.37Å; I171-G197 PolarHBondContact N-O 3.12Å; I171-G197 VanDerWaalsContact N-O 3.14Å
198	D	96.6	Very high	95.6	Very high	62 Å²	62	59.7 Å²	59.7	33%	0.332	34%	0.338	S	S	.	.			trans	-81.8	139.4	171.5	-161.2	-27.2	0	0	0	109.2	I171 E200 E201 L202	I171-D198 HydrophobicContact CD1-CB 4.37Å; D198-E200 PolarHBondContact O-N 3.24Å; D198-E200 PolarHBondContact OD1-N 3.05Å; D198-E201 CarbonylContact O-C 3.56Å; D198-E201 PolarHBondContact O-N 3.11Å; D198-E201 VanDerWaalsContact O-O 3.12Å; D198-L202 WeakPolarHBondContact O-CD2 3.39Å; D198-L202 PolarHBondContact O-N 2.74Å
199	A	97.2	Very high	96	Very high	10 Å²	10	58.3 Å²	58.3	8%	0.083	33%	0.331	C	S	.	.	S	Bend	trans	-70.2	-23.9	176.2	0	0	0	0	0	112.1	V113 V221 T227	V113-A199 HydrophobicContact CG1-CB 3.55Å; A199-V221 HydrophobicContact CB-CG1 4.18Å; A199-T227 HydrophobicContact CB-CG2 3.97Å
200	E	97.2	Very high	96.8	Very high	32 Å²	32	54 Å²	54	15%	0.15	30%	0.302	C	S	.	.	S	Bend	trans	-83.9	-14.9	176.8	-65.1	175.9	-141.2	0	0	112.8	D198 V221 T222 H223 T227 E230	D198-E200 PolarHBondContact O-N 3.24Å; D198-E200 PolarHBondContact OD1-N 3.05Å; E200-V221 HydrophobicContact CG-CB 4.48Å; E200-T222 VanDerWaalsContact OE1-CA 3.29Å; E200-T222 WeakPolarHBondContact OE1-CA 3.44Å; E200-T222 WeakPolarHBondContact OE1-CB 3.37Å; E200-T222 PolarHBondContact OE1-N 3.02Å; E200-H223 PolarHBondContact OE1-N 2.69Å; E200-H223 WeakPolarHBondContact OE2-CB 3.31Å; E200-H223 IonicContact OE2-CE1 3.11Å; E200-H223 IonicContact OE2-CG 3.89Å; E200-H223 PolarHBondContact OE2-N 2.71Å; E200-H223 IonicContact OE2-ND1 2.69Å; E200-H223 PolarHBondContact OE2-ND1 3.35Å; E200-T227 WeakPolarHBondContact CG-OG1 3.34Å; E200-E230 VanDerWaalsContact O-CG 3.29Å; E200-E230 WeakPolarHBondContact O-CG 3.32Å
201	E	97.6	Very high	97.3	Very high	158 Å²	158	50.7 Å²	50.7	74%	0.738	28%	0.278	S	S	*	.	S	Bend	trans	-148.7	83	177.4	-170.4	-178.9	-171.3	0	0	109.3	D198	D198-E201 CarbonylContact O-C 3.56Å; D198-E201 PolarHBondContact O-N 3.11Å; D198-E201 VanDerWaalsContact O-O 3.12Å
202	L	98	Very high	97.7	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	27%	0.27	C	S	.	.			trans	-77	132.5	-172.8	-72.7	170.4	0	0	0	111.1	L111 V113 D198 F204 Y212 E230 R233 V234	L111-L202 HydrophobicContact CD2-CD1 4.13Å; V113-L202 HydrophobicContact CG1-CD2 4.42Å; V113-L202 HydrophobicContact CG2-CD2 4.14Å; D198-L202 WeakPolarHBondContact O-CD2 3.39Å; D198-L202 PolarHBondContact O-N 2.74Å; L202-F204 HydrophobicContact CB-CD2 3.91Å; L202-F204 HydrophobicContact CB-CE2 4.49Å; L202-F204 HydrophobicContact CD2-CD2 4.34Å; L202-F204 HydrophobicContact CD2-CE2 4.15Å; L202-F204 PolarHBondContact O-N 3.47Å; L202-Y212 HydrophobicContact CD1-CE2 3.92Å; L202-E230 WeakPolarHBondContact CB-OE2 3.17Å; L202-E230 HydrophobicContact CD1-CB 3.97Å; L202-E230 HydrophobicContact CG-CB 4.28Å; L202-E230 PolarHBondContact N-OE2 3.25Å; L202-R233 PolarHBondContact O-NH2 3.05Å; L202-R233 VanDerWaalsContact O-NH2 3.07Å; L202-V234 HydrophobicContact CB-CG1 4.22Å; L202-V234 HydrophobicContact CD1-CG1 3.98Å; L202-V234 HydrophobicContact CD1-CG2 4.08Å
203	P	97.6	Very high	97.8	Very high	76 Å²	76	48.6 Å²	48.6	49%	0.494	26%	0.263	S	S	.	.	S	Bend	trans	-80.6	46.1	-178.8	36.4	-38.9	0	0	0	112.1	V195	V195-P203 HydrophobicContact CG1-CG 3.68Å
204	F	98.1	Very high	97.9	Very high	34 Å²	34	45.6 Å²	45.6	15%	0.149	24%	0.242	C	C	.	.	S	Bend	trans	-129.6	147.8	-179.8	-54.2	-61.9	0	0	0	110.3	L111 V167 C169 V195 L202 F209 R233 V234	L111-F204 HydrophobicContact CD1-CD2 4.21Å; L111-F204 HydrophobicContact CD1-CE2 3.47Å; L111-F204 VanDerWaalsContact CD1-CE2 3.47Å; L111-F204 HydrophobicContact CD1-CZ 3.83Å; L111-F204 HydrophobicContact CD2-CD2 3.9Å; L111-F204 HydrophobicContact CD2-CE2 3.92Å; L111-F204 HydrophobicContact CG-CE2 4.38Å; V167-F204 HydrophobicContact CG1-CE1 4.03Å; V167-F204 HydrophobicContact CG1-CZ 3.8Å; C169-F204 HydrophobicContact CB-CE2 4.19Å; C169-F204 HydrophobicContact CB-CZ 4.31Å; V195-F204 HydrophobicContact CB-CE1 4.44Å; V195-F204 HydrophobicContact CB-CZ 4.03Å; V195-F204 HydrophobicContact CG1-CE1 4.24Å; V195-F204 HydrophobicContact CG1-CZ 3.93Å; V195-F204 HydrophobicContact CG2-CE1 4.05Å; V195-F204 HydrophobicContact CG2-CZ 4.07Å; L202-F204 HydrophobicContact CB-CD2 3.91Å; L202-F204 HydrophobicContact CB-CE2 4.49Å; L202-F204 HydrophobicContact CD2-CD2 4.34Å; L202-F204 HydrophobicContact CD2-CE2 4.15Å; L202-F204 PolarHBondContact O-N 3.47Å; F204-F209 HydrophobicContact CB-CE2 3.98Å; F204-F209 HydrophobicContact CD1-CE2 4.16Å; F204-F209 HydrophobicContact CD1-CZ 4.01Å; F204-F209 AromaticContact CD2-CE2 3.97Å; F204-F209 HydrophobicContact CD2-CE2 3.97Å; F204-F209 HydrophobicContact CD2-CZ 4.32Å; F204-F209 HydrophobicContact CE1-CZ 4.24Å; F204-F209 AromaticContact CG-CE2 3.76Å; F204-F209 HydrophobicContact CG-CE2 3.76Å; F204-F209 HydrophobicContact CG-CZ 4.07Å; F204-R233 PolarHBondContact O-NH1 3.32Å; F204-R233 PolarHBondContact O-NH2 2.68Å; F204-R233 VanDerWaalsContact O-NH2 3.09Å; F204-V234 HydrophobicContact CB-CG1 4.08Å
205	D	98.1	Very high	97.8	Very high	120 Å²	120	43.8 Å²	43.8	64%	0.642	24%	0.238	S	C	*	.			trans	-68.6	164.1	169.7	-57.6	-41.6	0	0	0	111.1	Q208	D205-Q208 HydrophobicContact CB-CG 4.09Å; D205-Q208 VanDerWaalsContact O-CG 3.3Å; D205-Q208 WeakPolarHBondContact O-CG 3.41Å
206	D	98.5	Very high	97.6	Very high	91 Å²	91	42.2 Å²	42.2	49%	0.487	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	152.6	175.6	-59.7	7.7	0	0	0	111.2	Q208 R233	D206-Q208 VanDerWaalsContact C-N 3.32Å; D206-Q208 PolarHBondContact O-N 3.28Å; D206-R233 WeakPolarHBondContact CA-O 3.45Å; D206-R233 HydrophobicContact CB-CG 4.35Å; D206-R233 VanDerWaalsContact OD1-CD 3.24Å; D206-R233 WeakPolarHBondContact OD1-CD 3.25Å; D206-R233 WeakPolarHBondContact OD1-CG 2.98Å; D206-R233 IonicContact OD1-CZ 2.92Å; D206-R233 IonicContact OD1-NE 3.3Å; D206-R233 IonicContact OD1-NH1 2.75Å; D206-R233 PolarHBondContact OD1-NH1 2.77Å
207	D	98.3	Very high	97.5	Very high	69 Å²	69	39 Å²	39	37%	0.369	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	39.1	169.8	-59	-39.9	0	0	0	115.3	R233 K236 P237 K325	D207-R233 PolarHBondContact N-O 2.8Å; D207-R233 VanDerWaalsContact N-O 3.08Å; D207-K236 HydrophobicContact CB-CG 4.26Å; D207-K236 WeakPolarHBondContact O-CG 3.22Å; D207-P237 WeakPolarHBondContact OD1-CD 3.16Å; D207-K325 IonicContact OD1-NZ 2.82Å; D207-K325 PolarHBondContact OD1-NZ 2.88Å
208	Q	97.3	Very high	97.5	Very high	57 Å²	57	38.5 Å²	38.5	27%	0.266	21%	0.205	S	C	.	.			trans	-92.6	-29.6	-178.4	-74	-65	-39.8	0	0	113.9	R109 D205 D206 V234 K236	R109-Q208 PolarHBondContact NE-O 3.24Å; R109-Q208 PolarHBondContact NH1-O 3.2Å; R109-Q208 VanDerWaalsContact NH1-O 3.13Å; D205-Q208 HydrophobicContact CB-CG 4.09Å; D205-Q208 VanDerWaalsContact O-CG 3.3Å; D205-Q208 WeakPolarHBondContact O-CG 3.41Å; D206-Q208 VanDerWaalsContact C-N 3.32Å; D206-Q208 PolarHBondContact O-N 3.28Å; Q208-V234 PolarHBondContact N-O 2.98Å; Q208-K236 VanDerWaalsContact O-CE 3.31Å; Q208-K236 WeakPolarHBondContact O-CE 3.42Å
209	F	98.4	Very high	97.4	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.3	-166.6	-58.9	-81.4	0	0	0	113.2	R109 L111 V167 F204 V234 L235 K236	R109-F209 HydrophobicContact CB-CD1 4.29Å; L111-F209 HydrophobicContact CB-CB 4.25Å; L111-F209 HydrophobicContact CB-CD1 3.63Å; L111-F209 HydrophobicContact CB-CD2 3.93Å; L111-F209 HydrophobicContact CB-CE1 3.85Å; L111-F209 HydrophobicContact CB-CE2 4.15Å; L111-F209 HydrophobicContact CB-CG 3.65Å; L111-F209 HydrophobicContact CB-CZ 4.1Å; L111-F209 HydrophobicContact CD1-CE1 4.39Å; L111-F209 HydrophobicContact CD1-CE2 4.42Å; L111-F209 HydrophobicContact CD1-CZ 4.09Å; L111-F209 HydrophobicContact CD2-CD2 3.95Å; L111-F209 HydrophobicContact CD2-CE2 3.85Å; L111-F209 HydrophobicContact CD2-CZ 4.34Å; L111-F209 HydrophobicContact CG-CD2 4.48Å; L111-F209 HydrophobicContact CG-CE2 4.36Å; L111-F209 HydrophobicContact CG-CZ 4.4Å; V167-F209 HydrophobicContact CB-CE1 4.04Å; V167-F209 HydrophobicContact CB-CZ 4.4Å; V167-F209 HydrophobicContact CG2-CE1 3.75Å; V167-F209 HydrophobicContact CG2-CZ 4.26Å; F204-F209 HydrophobicContact CB-CE2 3.98Å; F204-F209 HydrophobicContact CD1-CE2 4.16Å; F204-F209 HydrophobicContact CD1-CZ 4.01Å; F204-F209 AromaticContact CD2-CE2 3.97Å; F204-F209 HydrophobicContact CD2-CE2 3.97Å; F204-F209 HydrophobicContact CD2-CZ 4.32Å; F204-F209 HydrophobicContact CE1-CZ 4.24Å; F204-F209 AromaticContact CG-CE2 3.76Å; F204-F209 HydrophobicContact CG-CE2 3.76Å; F204-F209 HydrophobicContact CG-CZ 4.07Å; F209-V234 HydrophobicContact CD2-CB 4.05Å; F209-V234 HydrophobicContact CD2-CG2 4.24Å; F209-V234 HydrophobicContact CE2-CB 4.44Å; F209-V234 PolarHBondContact N-O 3.14Å; F209-L235 HydrophobicContact CB-CD2 4.48Å; F209-L235 WeakPolarHBondContact O-CA 3.16Å; F209-K236 PolarHBondContact O-N 2.74Å
210	D	98.1	Very high	97.2	Very high	47 Å²	47	36.6 Å²	36.6	25%	0.251	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-30.9	175.7	-53.6	-65.7	0	0	0	110.9	R109 K236 G239 R240	R109-D210 WeakPolarHBondContact CB-OD2 3.23Å; R109-D210 PolarHBondContact N-OD2 2.83Å; R109-D210 PolarHBondContact O-N 3.32Å; D210-K236 WeakPolarHBondContact OD1-CD 3.14Å; D210-K236 WeakPolarHBondContact OD1-CE 3.06Å; D210-K236 IonicContact OD1-NZ 2.64Å; D210-K236 PolarHBondContact OD1-NZ 3.4Å; D210-K236 IonicContact OD2-NZ 2.73Å; D210-K236 PolarHBondContact OD2-NZ 3.18Å; D210-G239 CarbonylContact O-C 3.54Å; D210-G239 VanDerWaalsContact O-CA 3.24Å; D210-G239 WeakPolarHBondContact O-CA 3.47Å; D210-R240 PolarHBondContact O-N 3.04Å
211	I	98.5	Very high	97.1	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.072	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.9	-176.6	-53.6	171.8	0	0	0	109	M102 P104 A108 R109 L110 L111 F124 T213 R240	M102-I211 HydrophobicContact CE-CG2 4.07Å; M102-I211 HydrophobicContact CG-CD1 3.91Å; M102-I211 HydrophobicContact CG-CG2 4.17Å; M102-I211 HydrophobicContact SD-CD1 3.98Å; M102-I211 HydrophobicContact SD-CG2 4.1Å; P104-I211 HydrophobicContact CB-CD1 3.95Å; A108-I211 HydrophobicContact CB-CD1 4.23Å; R109-I211 PolarHBondContact O-N 3.21Å; R109-I211 VanDerWaalsContact O-N 3.17Å; L110-I211 WeakPolarHBondContact CA-O 3.33Å; L110-I211 HydrophobicContact CD1-CB 3.91Å; L110-I211 HydrophobicContact CD1-CG2 3.66Å; L111-I211 PolarHBondContact N-O 2.88Å; F124-I211 HydrophobicContact CE2-CD1 4.2Å; I211-T213 HydrophobicContact CG2-CG2 4.3Å; I211-R240 WeakPolarHBondContact CA-O 3.25Å
212	Y	98.7	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126	171.5	-177.7	-71.6	0	0	0	108.5	L111 V113 L202 I214 A231 V234 R240 F241 M242	L111-Y212 HydrophobicContact CD2-CD2 3.87Å; L111-Y212 HydrophobicContact CD2-CE2 3.96Å; L111-Y212 HydrophobicContact CG-CD2 4.38Å; L111-Y212 CarbonylContact O-C 3.2Å; L111-Y212 WeakPolarHBondContact O-CA 3.48Å; V113-Y212 HydrophobicContact CB-CE1 4.3Å; V113-Y212 HydrophobicContact CB-CE2 4.33Å; V113-Y212 WeakPolarHBondContact CB-OH 3.25Å; V113-Y212 HydrophobicContact CG2-CD2 4.25Å; V113-Y212 HydrophobicContact CG2-CE1 4.18Å; V113-Y212 HydrophobicContact CG2-CE2 3.42Å; V113-Y212 VanDerWaalsContact CG2-CE2 3.42Å; V113-Y212 WeakPolarHBondContact CG2-OH 3.42Å; L202-Y212 HydrophobicContact CD1-CE2 3.92Å; Y212-I214 HydrophobicContact CE1-CB 3.93Å; Y212-I214 HydrophobicContact CE1-CG2 3.88Å; Y212-A231 HydrophobicContact CD1-CB 4.08Å; Y212-A231 HydrophobicContact CD2-CB 3.77Å; Y212-A231 HydrophobicContact CE1-CB 3.9Å; Y212-A231 HydrophobicContact CE2-CB 3.55Å; Y212-A231 HydrophobicContact CG-CB 4.03Å; Y212-V234 HydrophobicContact CD2-CG2 3.94Å; Y212-V234 HydrophobicContact CE2-CG2 4.29Å; Y212-R240 PolarHBondContact N-O 3.2Å; Y212-F241 AromaticContact CD1-CD2 3.45Å; Y212-F241 HydrophobicContact CD1-CD2 3.45Å; Y212-F241 VanDerWaalsContact CD1-CD2 3.45Å; Y212-F241 AromaticContact CD1-CE2 3.63Å; Y212-F241 HydrophobicContact CD1-CE2 3.63Å; Y212-F241 AromaticContact CE1-CD2 3.97Å; Y212-F241 HydrophobicContact CE1-CD2 3.97Å; Y212-F241 AromaticContact CE1-CE2 3.67Å; Y212-F241 HydrophobicContact CE1-CE2 3.67Å; Y212-F241 HydrophobicContact CG-CD2 4.12Å; Y212-M242 PolarHBondContact O-N 3.36Å
213	T	98.7	Very high	96.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.6	170.7	53.3	0	0	0	0	112.2	M102 L110 L111 D112 V113 I120 I211 M242	M102-T213 HydrophobicContact CE-CG2 3.32Å; L110-T213 HydrophobicContact CD1-CG2 3.86Å; L111-T213 PolarHBondContact O-N 2.82Å; D112-T213 WeakPolarHBondContact CA-OG1 3.4Å; D112-T213 PolarHBondContact OD1-OG1 2.79Å; V113-T213 PolarHBondContact N-O 2.81Å; I120-T213 HydrophobicContact CG2-CG2 4.32Å; I211-T213 HydrophobicContact CG2-CG2 4.3Å; T213-M242 WeakPolarHBondContact CA-O 3.31Å; T213-M242 HydrophobicContact CG2-CB 4.29Å
214	I	98.3	Very high	96.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	116.5	163.2	-175.9	158.1	0	0	0	108.4	V113 A114 Y212 I218 F241 M242 C243 L244	V113-I214 HydrophobicContact CB-CD1 4.41Å; V113-I214 HydrophobicContact CG1-CD1 4.19Å; V113-I214 WeakPolarHBondContact O-CG1 3.42Å; A114-I214 HydrophobicContact CB-CD1 4.2Å; A114-I214 HydrophobicContact CB-CG1 4.26Å; Y212-I214 HydrophobicContact CE1-CB 3.93Å; Y212-I214 HydrophobicContact CE1-CG2 3.88Å; I214-I218 HydrophobicContact CD1-CB 3.71Å; I214-I218 HydrophobicContact CD1-CD1 4.48Å; I214-I218 HydrophobicContact CD1-CG1 4.23Å; I214-I218 HydrophobicContact CG1-CB 4.03Å; I214-I218 HydrophobicContact CG2-CB 4.23Å; I214-I218 HydrophobicContact CG2-CD1 4.16Å; I214-F241 HydrophobicContact CG2-CE2 4.16Å; I214-F241 HydrophobicContact CG2-CZ 4.26Å; I214-M242 PolarHBondContact N-O 3.34Å; I214-C243 HydrophobicContact CG2-CB 3.93Å; I214-C243 WeakPolarHBondContact O-CA 3.24Å; I214-L244 PolarHBondContact O-N 3.02Å
215	A	96.8	Very high	96.7	Very high	13 Å²	13	31.1 Å²	31.1	11%	0.107	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.7	-172.4	0	0	0	0	0	110.9	I120 G217 L244	I120-A215 HydrophobicContact CD1-CB 4.36Å; I120-A215 HydrophobicContact CG1-CB 3.91Å; A215-G217 PolarHBondContact O-N 3.29Å; A215-L244 CarbonylContact C-O 3.54Å; A215-L244 WeakPolarHBondContact CA-O 3.29Å; A215-L244 HydrophobicContact CB-CB 4.21Å
216	F	94.5	Very high	96.7	Very high	7 Å²	7	29 Å²	29	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	55.5	28.1	-177.5	-53.7	-68.2	0	0	0	114	W94 R219 L244 E245 F246 V318	W94-F216 AromaticContact CE3-CZ 3.91Å; W94-F216 HydrophobicContact CE3-CZ 3.91Å; W94-F216 HydrophobicContact CZ3-CZ 4.49Å; F216-R219 PolarHBondContact O-NH1 2.97Å; F216-R219 PolarHBondContact O-NH2 3.36Å; F216-L244 HydrophobicContact CE2-CD2 3.67Å; F216-L244 HydrophobicContact CE2-CG 4.13Å; F216-L244 HydrophobicContact CZ-CD2 3.86Å; F216-L244 HydrophobicContact CZ-CG 3.93Å; F216-L244 PolarHBondContact N-O 2.7Å; F216-E245 VanDerWaalsContact C-OE2 3.27Å; F216-E245 VanDerWaalsContact CA-OE2 3.31Å; F216-E245 WeakPolarHBondContact CA-OE2 3.42Å; F216-F246 AromaticContact CD1-CD2 3.65Å; F216-F246 HydrophobicContact CD1-CD2 3.65Å; F216-F246 AromaticContact CD1-CE2 3.51Å; F216-F246 HydrophobicContact CD1-CE2 3.51Å; F216-F246 HydrophobicContact CD1-CG 4.42Å; F216-F246 HydrophobicContact CD1-CZ 4.18Å; F216-F246 AromaticContact CE1-CD2 4Å; F216-F246 HydrophobicContact CE1-CD2 4Å; F216-F246 HydrophobicContact CE1-CE1 4.44Å; F216-F246 AromaticContact CE1-CE2 3.83Å; F216-F246 HydrophobicContact CE1-CE2 3.83Å; F216-F246 HydrophobicContact CE1-CG 4.38Å; F216-F246 HydrophobicContact CE1-CZ 4.06Å; F216-F246 HydrophobicContact CG-CE2 4.41Å; F216-V318 HydrophobicContact CE1-CG1 4.04Å; F216-V318 HydrophobicContact CE1-CG2 3.81Å; F216-V318 HydrophobicContact CZ-CG1 4.07Å; F216-V318 HydrophobicContact CZ-CG2 4.15Å
217	G	94.3	Very high	96.7	Very high	8 Å²	8	24.7 Å²	24.7	8%	0.082	13%	0.129	C	C	.	.			trans	-114	-41.7	-179.1	0	0	0	0	0	113.6	A215 R219 N220 E245	A215-G217 PolarHBondContact O-N 3.29Å; G217-R219 PolarHBondContact O-N 3.42Å; G217-R219 VanDerWaalsContact O-N 3.12Å; G217-N220 WeakPolarHBondContact O-CB 3.29Å; G217-N220 PolarHBondContact O-N 3.33Å; G217-N220 PolarHBondContact O-ND2 3.41Å; G217-E245 PolarHBondContact N-OE2 3.42Å
218	I	96.8	Very high	96.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-62.6	-28.6	-164.9	-163.8	156.3	0	0	0	113.3	I214 N220 V221 I224 T227 L228 C243 E245 F290 F296	I214-I218 HydrophobicContact CD1-CB 3.71Å; I214-I218 HydrophobicContact CD1-CD1 4.48Å; I214-I218 HydrophobicContact CD1-CG1 4.23Å; I214-I218 HydrophobicContact CG1-CB 4.03Å; I214-I218 HydrophobicContact CG2-CB 4.23Å; I214-I218 HydrophobicContact CG2-CD1 4.16Å; I218-N220 PolarHBondContact O-N 2.75Å; I218-V221 HydrophobicContact CG1-CG2 4.38Å; I218-V221 VanDerWaalsContact O-CG2 3.22Å; I218-V221 WeakPolarHBondContact O-CG2 3.48Å; I218-V221 PolarHBondContact O-N 2.91Å; I218-I224 HydrophobicContact CD1-CG2 4.32Å; I218-I224 HydrophobicContact CG1-CG2 4.36Å; I218-T227 HydrophobicContact CD1-CG2 4.05Å; I218-T227 HydrophobicContact CG1-CG2 4.34Å; I218-L228 HydrophobicContact CD1-CD2 4.25Å; I218-C243 VanDerWaalsContact CG2-SG 3.54Å; I218-E245 HydrophobicContact CG2-CB 4.3Å; I218-E245 HydrophobicContact CG2-CG 3.99Å; I218-E245 PolarHBondContact N-OE2 2.89Å; I218-F290 HydrophobicContact CG2-CE2 3.8Å; I218-F290 HydrophobicContact CG2-CZ 3.89Å; I218-F296 HydrophobicContact CD1-CE2 4.34Å; I218-F296 HydrophobicContact CD1-CZ 4.02Å; I218-F296 HydrophobicContact CG2-CZ 4.28Å
219	R	95	Very high	96.8	Very high	18 Å²	18	23.1 Å²	23.1	7%	0.068	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-61.1	-18.3	176.4	70.4	-177.1	-177.7	-74.8	-14.4	114.2	F216 G217 E245 L283 S286 F290	F216-R219 PolarHBondContact O-NH1 2.97Å; F216-R219 PolarHBondContact O-NH2 3.36Å; G217-R219 PolarHBondContact O-N 3.42Å; G217-R219 VanDerWaalsContact O-N 3.12Å; R219-E245 HydrophobicContact CB-CG 4.39Å; R219-E245 IonicContact CZ-OE1 3.12Å; R219-E245 PolarHBondContact N-OE2 2.81Å; R219-E245 VanDerWaalsContact NH1-CD 3.29Å; R219-E245 IonicContact NH1-OE1 3.31Å; R219-E245 PolarHBondContact NH1-OE1 3.33Å; R219-E245 IonicContact NH1-OE2 2.73Å; R219-E245 PolarHBondContact NH1-OE2 3.41Å; R219-E245 VanDerWaalsContact NH1-OE2 3.11Å; R219-L283 VanDerWaalsContact NH2-CD1 3.25Å; R219-S286 PolarHBondContact NE-OG 3.42Å; R219-F290 HydrophobicContact CB-CB 4.41Å; R219-F290 HydrophobicContact CB-CD2 3.46Å; R219-F290 VanDerWaalsContact CB-CD2 3.46Å; R219-F290 HydrophobicContact CB-CE2 4.06Å; R219-F290 HydrophobicContact CB-CG 4.13Å
220	N	93.8	Very high	96.8	Very high	13 Å²	13	24.4 Å²	24.4	7%	0.07	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-96.5	-8.8	-175.3	-57.3	-67.5	0	0	0	113.6	V68 F72 G217 I218 Y282	V68-N220 HydrophobicContact CG1-CB 3.84Å; F72-N220 HydrophobicContact CE2-CB 4.24Å; G217-N220 WeakPolarHBondContact O-CB 3.29Å; G217-N220 PolarHBondContact O-N 3.33Å; G217-N220 PolarHBondContact O-ND2 3.41Å; I218-N220 PolarHBondContact O-N 2.75Å; N220-Y282 WeakPolarHBondContact OD1-CE1 3.22Å; N220-Y282 PolarHBondContact OD1-OH 2.89Å
221	V	94.3	Very high	96.8	Very high	18 Å²	18	22.1 Å²	22.1	11%	0.109	11%	0.114	C	C	.	.	S	Bend	trans	-68.9	155.4	175.4	-49.6	0	0	0	0	109.8	K64 A199 E200 I218 I224 T227	K64-V221 VanDerWaalsContact CE-O 3.24Å; K64-V221 WeakPolarHBondContact CE-O 3.4Å; K64-V221 PolarHBondContact NZ-O 2.85Å; A199-V221 HydrophobicContact CB-CG1 4.18Å; E200-V221 HydrophobicContact CG-CB 4.48Å; I218-V221 HydrophobicContact CG1-CG2 4.38Å; I218-V221 VanDerWaalsContact O-CG2 3.22Å; I218-V221 WeakPolarHBondContact O-CG2 3.48Å; I218-V221 PolarHBondContact O-N 2.91Å; V221-I224 HydrophobicContact CG2-CB 4.32Å; V221-I224 HydrophobicContact CG2-CG1 3.69Å; V221-T227 HydrophobicContact CG1-CG2 4.49Å; V221-T227 WeakPolarHBondContact CG2-OG1 3.42Å
222	T	92.8	Very high	96.8	Very high	23 Å²	23	22.8 Å²	22.8	14%	0.141	12%	0.118	C	C	.	.	S	Bend	trans	-72.6	-49.2	176.9	-51.9	0	0	0	0	109.9	T52 E61 K64 E200	T52-T222 HydrophobicContact CG2-CG2 4.09Å; E61-T222 HydrophobicContact CB-CG2 3.89Å; E61-T222 HydrophobicContact CG-CG2 3.66Å; K64-T222 HydrophobicContact CD-CG2 4.31Å; E200-T222 VanDerWaalsContact OE1-CA 3.29Å; E200-T222 WeakPolarHBondContact OE1-CA 3.44Å; E200-T222 WeakPolarHBondContact OE1-CB 3.37Å; E200-T222 PolarHBondContact OE1-N 3.02Å
223	H	95.3	Very high	96.8	Very high	33 Å²	33	25.8 Å²	25.8	15%	0.153	13%	0.129	C	C	.	.			trans	-121.1	101.1	-177.8	-56.5	100.4	0	0	0	111.3	E61 E200 D225 Q226 T227	E61-H223 VanDerWaalsContact CD-CE1 3.48Å; E61-H223 VanDerWaalsContact CD-NE2 3.29Å; E61-H223 IonicContact OE1-CE1 2.78Å; E61-H223 IonicContact OE1-NE2 2.68Å; E61-H223 PolarHBondContact OE1-NE2 2.94Å; E61-H223 VanDerWaalsContact OE1-NE2 3.14Å; E61-H223 IonicContact OE2-CE1 3.71Å; E61-H223 PolarHBondContact OE2-CE1 3.19Å; E61-H223 VanDerWaalsContact OE2-CE1 3.3Å; E61-H223 IonicContact OE2-NE2 2.71Å; E61-H223 PolarHBondContact OE2-NE2 2.98Å; E200-H223 PolarHBondContact OE1-N 2.69Å; E200-H223 WeakPolarHBondContact OE2-CB 3.31Å; E200-H223 IonicContact OE2-CE1 3.11Å; E200-H223 IonicContact OE2-CG 3.89Å; E200-H223 PolarHBondContact OE2-N 2.71Å; E200-H223 IonicContact OE2-ND1 2.69Å; E200-H223 PolarHBondContact OE2-ND1 3.35Å; H223-D225 VanDerWaalsContact C-N 3.33Å; H223-D225 WeakPolarHBondContact CB-OD1 3.42Å; H223-Q226 HydrophobicContact CB-CB 3.79Å; H223-Q226 HydrophobicContact CB-CG 3.69Å; H223-Q226 PolarHBondContact O-N 2.91Å; H223-T227 PolarHBondContact O-N 3.27Å; H223-T227 VanDerWaalsContact O-N 3.08Å; H223-T227 PolarHBondContact O-OG1 3.43Å; H223-T227 VanDerWaalsContact O-OG1 3.07Å
224	I	97.3	Very high	96.8	Very high	27 Å²	27	25.8 Å²	25.8	14%	0.138	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-40.8	-180	-65.8	173.7	0	0	0	110.3	I218 V221 T227 L228 F290 F296 M299	I218-I224 HydrophobicContact CD1-CG2 4.32Å; I218-I224 HydrophobicContact CG1-CG2 4.36Å; V221-I224 HydrophobicContact CG2-CB 4.32Å; V221-I224 HydrophobicContact CG2-CG1 3.69Å; I224-T227 PolarHBondContact O-N 3.26Å; I224-L228 HydrophobicContact CG2-CD1 3.98Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-L228 VanDerWaalsContact O-CG 3.25Å; I224-L228 WeakPolarHBondContact O-CG 3.46Å; I224-L228 PolarHBondContact O-N 3.38Å; I224-F290 HydrophobicContact CD1-CD2 4.29Å; I224-F290 HydrophobicContact CD1-CE2 3.97Å; I224-F296 HydrophobicContact CG2-CD2 4.37Å; I224-F296 HydrophobicContact CG2-CE2 3.75Å; I224-M299 HydrophobicContact CB-CE 3.81Å; I224-M299 HydrophobicContact CG2-CE 3.6Å
225	D	97.3	Very high	96.8	Very high	91 Å²	91	25.7 Å²	25.7	49%	0.487	13%	0.128	S	C	.	.	H	α-helix	trans	-57.5	-47.5	176.1	59.2	-42.1	0	0	0	112	H223 L228 Q229	H223-D225 VanDerWaalsContact C-N 3.33Å; H223-D225 WeakPolarHBondContact CB-OD1 3.42Å; D225-L228 PolarHBondContact O-N 3.23Å; D225-Q229 WeakPolarHBondContact O-CG 3.45Å; D225-Q229 PolarHBondContact O-N 3.02Å
226	Q	97.8	Very high	96.9	Very high	76 Å²	76	27.5 Å²	27.5	36%	0.355	13%	0.134	S	C	.	.	H	α-helix	trans	-64	-42.6	176.5	-64.5	178.2	14.1	0	0	111.7	H223 L228 Q229 E230	H223-Q226 HydrophobicContact CB-CB 3.79Å; H223-Q226 HydrophobicContact CB-CG 3.69Å; H223-Q226 PolarHBondContact O-N 2.91Å; Q226-L228 VanDerWaalsContact C-N 3.28Å; Q226-L228 PolarHBondContact O-N 2.76Å; Q226-Q229 WeakPolarHBondContact O-CB 3.45Å; Q226-Q229 PolarHBondContact O-N 3.08Å; Q226-Q229 VanDerWaalsContact O-N 3.16Å; Q226-E230 PolarHBondContact O-N 3.25Å
227	T	98.4	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-39.2	174.9	-60.6	0	0	0	0	111.9	A199 E200 I218 V221 H223 I224 A231	A199-T227 HydrophobicContact CB-CG2 3.97Å; E200-T227 WeakPolarHBondContact CG-OG1 3.34Å; I218-T227 HydrophobicContact CD1-CG2 4.05Å; I218-T227 HydrophobicContact CG1-CG2 4.34Å; V221-T227 HydrophobicContact CG1-CG2 4.49Å; V221-T227 WeakPolarHBondContact CG2-OG1 3.42Å; H223-T227 PolarHBondContact O-N 3.27Å; H223-T227 VanDerWaalsContact O-N 3.08Å; H223-T227 PolarHBondContact O-OG1 3.43Å; H223-T227 VanDerWaalsContact O-OG1 3.07Å; I224-T227 PolarHBondContact O-N 3.26Å; T227-A231 WeakPolarHBondContact O-CB 3.39Å; T227-A231 PolarHBondContact O-N 2.64Å
228	L	98.7	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.9	-37.6	176.5	-69.3	171.7	0	0	0	111.9	I218 I224 D225 Q226 A231 L232 F241 F296 M299 I300 A303	I218-L228 HydrophobicContact CD1-CD2 4.25Å; I224-L228 HydrophobicContact CG2-CD1 3.98Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-L228 VanDerWaalsContact O-CG 3.25Å; I224-L228 WeakPolarHBondContact O-CG 3.46Å; I224-L228 PolarHBondContact O-N 3.38Å; D225-L228 PolarHBondContact O-N 3.23Å; Q226-L228 VanDerWaalsContact C-N 3.28Å; Q226-L228 PolarHBondContact O-N 2.76Å; L228-A231 PolarHBondContact O-N 3.04Å; L228-L232 PolarHBondContact O-N 3.26Å; L228-F241 HydrophobicContact CD2-CE1 3.97Å; L228-F241 HydrophobicContact CD2-CE2 4.05Å; L228-F241 HydrophobicContact CD2-CZ 3.51Å; L228-F296 HydrophobicContact CD1-CE2 4.38Å; L228-M299 HydrophobicContact CD1-CB 4.03Å; L228-I300 HydrophobicContact CD1-CG1 4.1Å; L228-I300 HydrophobicContact CD2-CG1 3.87Å; L228-A303 HydrophobicContact CB-CB 3.67Å; L228-A303 HydrophobicContact CD1-CB 4.43Å
229	Q	98.4	Very high	97.2	Very high	93 Å²	93	33.3 Å²	33.3	44%	0.435	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-45.5	173.1	-70.9	-60.5	-30.6	0	0	111.7	D225 Q226 A231 L232 R233 A303	D225-Q229 WeakPolarHBondContact O-CG 3.45Å; D225-Q229 PolarHBondContact O-N 3.02Å; Q226-Q229 WeakPolarHBondContact O-CB 3.45Å; Q226-Q229 PolarHBondContact O-N 3.08Å; Q226-Q229 VanDerWaalsContact O-N 3.16Å; Q229-A231 VanDerWaalsContact C-N 3.33Å; Q229-A231 PolarHBondContact O-N 3Å; Q229-L232 WeakPolarHBondContact O-CB 3.23Å; Q229-L232 PolarHBondContact O-N 3.12Å; Q229-L232 VanDerWaalsContact O-N 3.16Å; Q229-R233 WeakPolarHBondContact O-CB 3.37Å; Q229-R233 PolarHBondContact O-N 3.38Å; Q229-A303 VanDerWaalsContact NE2-CA 3.25Å; Q229-A303 PolarHBondContact NE2-O 3.27Å
230	E	98.6	Very high	97.4	Very high	30 Å²	30	34.7 Å²	34.7	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-41.1	175.1	-79.8	-62.8	95.7	0	0	111.9	E200 L202 Q226 L232 R233 V234	E200-E230 VanDerWaalsContact O-CG 3.29Å; E200-E230 WeakPolarHBondContact O-CG 3.32Å; L202-E230 WeakPolarHBondContact CB-OE2 3.17Å; L202-E230 HydrophobicContact CD1-CB 3.97Å; L202-E230 HydrophobicContact CG-CB 4.28Å; L202-E230 PolarHBondContact N-OE2 3.25Å; Q226-E230 PolarHBondContact O-N 3.25Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 3.14Å; E230-R233 PolarHBondContact O-N 3.3Å; E230-R233 IonicContact OE1-CZ 3.72Å; E230-R233 IonicContact OE1-NE 3.32Å; E230-R233 PolarHBondContact OE1-NE 3.44Å; E230-R233 IonicContact OE1-NH2 2.74Å; E230-R233 IonicContact OE2-CZ 2.79Å; E230-R233 IonicContact OE2-NE 2.76Å; E230-R233 PolarHBondContact OE2-NE 3.3Å; E230-R233 IonicContact OE2-NH2 3.42Å; E230-R233 PolarHBondContact OE2-NH2 3.27Å; E230-V234 WeakPolarHBondContact O-CG1 3.32Å; E230-V234 WeakPolarHBondContact O-CG2 3.46Å; E230-V234 PolarHBondContact O-N 3.1Å; E230-V234 VanDerWaalsContact O-N 3.08Å
231	A	98.7	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-41.5	174.1	0	0	0	0	0	112.1	Y212 T227 L228 Q229 L235 F241 F305	Y212-A231 HydrophobicContact CD1-CB 4.08Å; Y212-A231 HydrophobicContact CD2-CB 3.77Å; Y212-A231 HydrophobicContact CE1-CB 3.9Å; Y212-A231 HydrophobicContact CE2-CB 3.55Å; Y212-A231 HydrophobicContact CG-CB 4.03Å; T227-A231 WeakPolarHBondContact O-CB 3.39Å; T227-A231 PolarHBondContact O-N 2.64Å; L228-A231 PolarHBondContact O-N 3.04Å; Q229-A231 VanDerWaalsContact C-N 3.33Å; Q229-A231 PolarHBondContact O-N 3Å; A231-L235 WeakPolarHBondContact O-CB 3.43Å; A231-L235 WeakPolarHBondContact O-CD1 3.5Å; A231-L235 VanDerWaalsContact O-CG 3.25Å; A231-L235 WeakPolarHBondContact O-CG 3.39Å; A231-L235 PolarHBondContact O-N 3.18Å; A231-F241 HydrophobicContact CB-CD2 3.85Å; A231-F241 HydrophobicContact CB-CE2 3.99Å; A231-F305 HydrophobicContact CB-CZ 4.21Å
232	L	98.6	Very high	97.8	Very high	28 Å²	28	33.2 Å²	33.2	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-42.1	175.9	-170.1	74.9	0	0	0	111.3	L228 Q229 E230 A303 F305 K325	L228-L232 PolarHBondContact O-N 3.26Å; Q229-L232 WeakPolarHBondContact O-CB 3.23Å; Q229-L232 PolarHBondContact O-N 3.12Å; Q229-L232 VanDerWaalsContact O-N 3.16Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 3.14Å; L232-A303 VanDerWaalsContact CD2-O 3.3Å; L232-A303 WeakPolarHBondContact CD2-O 3.42Å; L232-F305 HydrophobicContact CB-CE1 4.43Å; L232-F305 HydrophobicContact CB-CE2 3.92Å; L232-F305 HydrophobicContact CB-CZ 3.78Å; L232-F305 HydrophobicContact CD1-CD1 3.7Å; L232-F305 HydrophobicContact CD1-CD2 4.14Å; L232-F305 HydrophobicContact CD1-CE1 3.54Å; L232-F305 HydrophobicContact CD1-CE2 4.02Å; L232-F305 HydrophobicContact CD1-CG 3.99Å; L232-F305 HydrophobicContact CD1-CZ 3.73Å; L232-F305 HydrophobicContact CG-CZ 4.4Å; L232-K325 HydrophobicContact CD1-CB 3.89Å; L232-K325 HydrophobicContact CD1-CD 4.33Å; L232-K325 HydrophobicContact CD1-CG 3.82Å; L232-K325 HydrophobicContact CG-CG 4.45Å; L232-K325 VanDerWaalsContact O-CD 3.28Å; L232-K325 WeakPolarHBondContact O-CD 3.32Å; L232-K325 VanDerWaalsContact O-CE 3.32Å; L232-K325 WeakPolarHBondContact O-CE 3.27Å; L232-K325 PolarHBondContact O-NZ 3.36Å
233	R	98.6	Very high	98.1	Very high	62 Å²	62	32.1 Å²	32.1	23%	0.234	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-50	-178.9	-174.2	-177.7	65.2	75.4	-1.4	112.1	L202 F204 D206 D207 Q229 E230 L235 K325	L202-R233 PolarHBondContact O-NH2 3.05Å; L202-R233 VanDerWaalsContact O-NH2 3.07Å; F204-R233 PolarHBondContact O-NH1 3.32Å; F204-R233 PolarHBondContact O-NH2 2.68Å; F204-R233 VanDerWaalsContact O-NH2 3.09Å; D206-R233 WeakPolarHBondContact CA-O 3.45Å; D206-R233 HydrophobicContact CB-CG 4.35Å; D206-R233 VanDerWaalsContact OD1-CD 3.24Å; D206-R233 WeakPolarHBondContact OD1-CD 3.25Å; D206-R233 WeakPolarHBondContact OD1-CG 2.98Å; D206-R233 IonicContact OD1-CZ 2.92Å; D206-R233 IonicContact OD1-NE 3.3Å; D206-R233 IonicContact OD1-NH1 2.75Å; D206-R233 PolarHBondContact OD1-NH1 2.77Å; D207-R233 PolarHBondContact N-O 2.8Å; D207-R233 VanDerWaalsContact N-O 3.08Å; Q229-R233 WeakPolarHBondContact O-CB 3.37Å; Q229-R233 PolarHBondContact O-N 3.38Å; E230-R233 PolarHBondContact O-N 3.3Å; E230-R233 IonicContact OE1-CZ 3.72Å; E230-R233 IonicContact OE1-NE 3.32Å; E230-R233 PolarHBondContact OE1-NE 3.44Å; E230-R233 IonicContact OE1-NH2 2.74Å; E230-R233 IonicContact OE2-CZ 2.79Å; E230-R233 IonicContact OE2-NE 2.76Å; E230-R233 PolarHBondContact OE2-NE 3.3Å; E230-R233 IonicContact OE2-NH2 3.42Å; E230-R233 PolarHBondContact OE2-NH2 3.27Å; R233-L235 PolarHBondContact O-N 3.49Å; R233-K325 PolarHBondContact O-NZ 2.96Å
234	V	98.7	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-77.7	-19	-174.7	-57.1	0	0	0	0	114.1	L111 L202 F204 Q208 F209 Y212 E230	L111-V234 HydrophobicContact CD2-CG2 3.8Å; L202-V234 HydrophobicContact CB-CG1 4.22Å; L202-V234 HydrophobicContact CD1-CG1 3.98Å; L202-V234 HydrophobicContact CD1-CG2 4.08Å; F204-V234 HydrophobicContact CB-CG1 4.08Å; Q208-V234 PolarHBondContact N-O 2.98Å; F209-V234 HydrophobicContact CD2-CB 4.05Å; F209-V234 HydrophobicContact CD2-CG2 4.24Å; F209-V234 HydrophobicContact CE2-CB 4.44Å; F209-V234 PolarHBondContact N-O 3.14Å; Y212-V234 HydrophobicContact CD2-CG2 3.94Å; Y212-V234 HydrophobicContact CE2-CG2 4.29Å; E230-V234 WeakPolarHBondContact O-CG1 3.32Å; E230-V234 WeakPolarHBondContact O-CG2 3.46Å; E230-V234 PolarHBondContact O-N 3.1Å; E230-V234 VanDerWaalsContact O-N 3.08Å
235	L	98.8	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.3	174.2	-82.9	172	0	0	0	110.7	F209 A231 R233 F241 F305 K325	F209-L235 HydrophobicContact CB-CD2 4.48Å; F209-L235 WeakPolarHBondContact O-CA 3.16Å; A231-L235 WeakPolarHBondContact O-CB 3.43Å; A231-L235 WeakPolarHBondContact O-CD1 3.5Å; A231-L235 VanDerWaalsContact O-CG 3.25Å; A231-L235 WeakPolarHBondContact O-CG 3.39Å; A231-L235 PolarHBondContact O-N 3.18Å; R233-L235 PolarHBondContact O-N 3.49Å; L235-F241 HydrophobicContact CD1-CB 3.99Å; L235-F305 HydrophobicContact CD1-CE1 3.65Å; L235-F305 HydrophobicContact CD1-CZ 4.06Å; L235-K325 HydrophobicContact CB-CB 4.44Å; L235-K325 HydrophobicContact CB-CD 4.17Å; L235-K325 WeakPolarHBondContact O-CD 3.31Å; L235-K325 WeakPolarHBondContact O-CE 3.17Å; L235-K325 PolarHBondContact O-NZ 2.68Å
236	K	98.3	Very high	98.1	Very high	51 Å²	51	25.8 Å²	25.8	22%	0.222	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	159.7	168.8	-67.9	172.8	-163	167.1	0	111.6	D207 Q208 F209 D210 G238 G239 K325	D207-K236 HydrophobicContact CB-CG 4.26Å; D207-K236 WeakPolarHBondContact O-CG 3.22Å; Q208-K236 VanDerWaalsContact O-CE 3.31Å; Q208-K236 WeakPolarHBondContact O-CE 3.42Å; F209-K236 PolarHBondContact O-N 2.74Å; D210-K236 WeakPolarHBondContact OD1-CD 3.14Å; D210-K236 WeakPolarHBondContact OD1-CE 3.06Å; D210-K236 IonicContact OD1-NZ 2.64Å; D210-K236 PolarHBondContact OD1-NZ 3.4Å; D210-K236 IonicContact OD2-NZ 2.73Å; D210-K236 PolarHBondContact OD2-NZ 3.18Å; K236-G238 PolarHBondContact O-N 3.44Å; K236-G239 VanDerWaalsContact O-CA 3.28Å; K236-G239 WeakPolarHBondContact O-CA 3.32Å; K236-G239 PolarHBondContact O-N 3.49Å; K236-K325 WeakPolarHBondContact O-CD 3.31Å
237	P	98.1	Very high	97.8	Very high	83 Å²	83	22.5 Å²	22.5	54%	0.539	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	132.7	163	-23.3	34.7	0	0	0	110.9	D207 G239	D207-P237 WeakPolarHBondContact OD1-CD 3.16Å; P237-G239 PolarHBondContact O-N 3.31Å
238	G	96.9	Very high	97.5	Very high	50 Å²	50	27 Å²	27	52%	0.515	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80	-6.4	-169.5	0	0	0	0	0	114.8	K236 K325	K236-G238 PolarHBondContact O-N 3.44Å; G238-K325 VanDerWaalsContact CA-O 3.24Å; G238-K325 WeakPolarHBondContact CA-O 3.29Å; G238-K325 PolarHBondContact N-O 2.97Å
239	G	97.9	Very high	97.1	Very high	3 Å²	3	28 Å²	28	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	151.3	177.5	0	0	0	0	0	112.4	D210 K236 P237 F324 K325	D210-G239 CarbonylContact O-C 3.54Å; D210-G239 VanDerWaalsContact O-CA 3.24Å; D210-G239 WeakPolarHBondContact O-CA 3.47Å; K236-G239 VanDerWaalsContact O-CA 3.28Å; K236-G239 WeakPolarHBondContact O-CA 3.32Å; K236-G239 PolarHBondContact O-N 3.49Å; P237-G239 PolarHBondContact O-N 3.31Å; G239-F324 WeakPolarHBondContact O-CA 3.32Å; G239-K325 PolarHBondContact O-N 3.38Å
240	R	98.4	Very high	96.5	Very high	47 Å²	47	27.7 Å²	27.7	18%	0.177	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.6	-171	-167.9	178.2	-176.4	-170.7	-4.3	112	V101 D210 I211 Y212 M242 S322 F324	V101-R240 PolarHBondContact O-NH1 2.82Å; D210-R240 PolarHBondContact O-N 3.04Å; I211-R240 WeakPolarHBondContact CA-O 3.25Å; Y212-R240 PolarHBondContact N-O 3.2Å; R240-M242 HydrophobicContact CG-CG 4.05Å; R240-S322 PolarHBondContact NE-OG 3.16Å; R240-S322 PolarHBondContact NH2-OG 3.47Å; R240-F324 HydrophobicContact CB-CD1 4.01Å; R240-F324 HydrophobicContact CB-CE1 3.88Å; R240-F324 HydrophobicContact CG-CD1 4.04Å; R240-F324 HydrophobicContact CG-CE1 3.7Å; R240-F324 HydrophobicContact CG-CZ 3.98Å
241	F	98.7	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.4	166.9	174.2	-100.1	0	0	0	110.4	Y212 I214 L228 A231 L235 C243 I300 F305 S322 G323	Y212-F241 AromaticContact CD1-CD2 3.45Å; Y212-F241 HydrophobicContact CD1-CD2 3.45Å; Y212-F241 VanDerWaalsContact CD1-CD2 3.45Å; Y212-F241 AromaticContact CD1-CE2 3.63Å; Y212-F241 HydrophobicContact CD1-CE2 3.63Å; Y212-F241 AromaticContact CE1-CD2 3.97Å; Y212-F241 HydrophobicContact CE1-CD2 3.97Å; Y212-F241 AromaticContact CE1-CE2 3.67Å; Y212-F241 HydrophobicContact CE1-CE2 3.67Å; Y212-F241 HydrophobicContact CG-CD2 4.12Å; I214-F241 HydrophobicContact CG2-CE2 4.16Å; I214-F241 HydrophobicContact CG2-CZ 4.26Å; L228-F241 HydrophobicContact CD2-CE1 3.97Å; L228-F241 HydrophobicContact CD2-CE2 4.05Å; L228-F241 HydrophobicContact CD2-CZ 3.51Å; A231-F241 HydrophobicContact CB-CD2 3.85Å; A231-F241 HydrophobicContact CB-CE2 3.99Å; L235-F241 HydrophobicContact CD1-CB 3.99Å; F241-C243 HydrophobicContact CE1-CB 3.69Å; F241-C243 HydrophobicContact CZ-CB 3.6Å; F241-I300 HydrophobicContact CD1-CG2 4.26Å; F241-I300 HydrophobicContact CE1-CD1 3.9Å; F241-I300 HydrophobicContact CE1-CG1 4.09Å; F241-I300 HydrophobicContact CE1-CG2 4.42Å; F241-F305 HydrophobicContact CB-CD1 3.89Å; F241-F305 HydrophobicContact CB-CE1 3.35Å; F241-F305 HydrophobicContact CB-CE2 4.36Å; F241-F305 HydrophobicContact CB-CZ 3.61Å; F241-F305 HydrophobicContact CD2-CZ 4.17Å; F241-F305 HydrophobicContact CG-CE1 4.17Å; F241-F305 HydrophobicContact CG-CE2 4.32Å; F241-F305 AromaticContact CG-CZ 3.94Å; F241-F305 HydrophobicContact CG-CZ 3.94Å; F241-S322 WeakPolarHBondContact O-CA 3.49Å; F241-S322 PolarHBondContact O-OG 3.45Å; F241-G323 PolarHBondContact N-O 3.08Å; F241-G323 PolarHBondContact O-N 3.39Å; F241-G323 VanDerWaalsContact O-N 3.08Å
242	M	98.6	Very high	95.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	120	175.7	-59	-169.9	75	0	0	110.8	L98 V101 M102 Y212 T213 I214 R240 L320 H321	L98-M242 HydrophobicContact CD1-CB 4.09Å; L98-M242 HydrophobicContact CD1-CE 3.77Å; L98-M242 HydrophobicContact CD1-SD 4.37Å; V101-M242 HydrophobicContact CB-CE 4.17Å; V101-M242 HydrophobicContact CG1-CE 3.79Å; M102-M242 VanDerWaalsContact CA-SD 3.6Å; M102-M242 HydrophobicContact CB-CE 4.09Å; M102-M242 HydrophobicContact CB-SD 3.59Å; M102-M242 VanDerWaalsContact CB-SD 3.59Å; M102-M242 HydrophobicContact CE-SD 4.38Å; M102-M242 HydrophobicContact CG-SD 3.77Å; Y212-M242 PolarHBondContact O-N 3.36Å; T213-M242 WeakPolarHBondContact CA-O 3.31Å; T213-M242 HydrophobicContact CG2-CB 4.29Å; I214-M242 PolarHBondContact N-O 3.34Å; R240-M242 HydrophobicContact CG-CG 4.05Å; M242-L320 HydrophobicContact CB-CD1 4.47Å; M242-L320 HydrophobicContact CE-CD1 4.18Å; M242-L320 HydrophobicContact CE-CD2 4.06Å; M242-L320 HydrophobicContact CE-CG 4.49Å; M242-H321 CarbonylContact C-O 3.56Å; M242-H321 WeakPolarHBondContact CA-O 3.36Å
243	C	98.5	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.3	177.6	178.1	0	0	0	0	110.3	I214 I218 F241 F296 L320 H321	I214-C243 HydrophobicContact CG2-CB 3.93Å; I214-C243 WeakPolarHBondContact O-CA 3.24Å; I218-C243 VanDerWaalsContact CG2-SG 3.54Å; F241-C243 HydrophobicContact CE1-CB 3.69Å; F241-C243 HydrophobicContact CZ-CB 3.6Å; C243-F296 HydrophobicContact CB-CE1 4.09Å; C243-F296 HydrophobicContact CB-CZ 4.38Å; C243-L320 CarbonylContact O-C 3.52Å; C243-L320 WeakPolarHBondContact O-CA 3.5Å; C243-L320 WeakPolarHBondContact O-CD1 3.19Å; C243-H321 HydrophobicContact CB-CB 4.45Å; C243-H321 PolarHBondContact N-O 3.27Å; C243-H321 PolarHBondContact O-N 2.95Å
244	L	97.9	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	110.3	173.7	-177.4	71.9	0	0	0	108.3	W94 K95 L98 I214 A215 F216 F313 V318 L320	W94-L244 HydrophobicContact CB-CD2 4.25Å; K95-L244 HydrophobicContact CG-CD2 4.16Å; L98-L244 HydrophobicContact CB-CD2 4.43Å; L98-L244 HydrophobicContact CD2-CB 4.42Å; L98-L244 HydrophobicContact CD2-CD2 4.44Å; I214-L244 PolarHBondContact O-N 3.02Å; A215-L244 CarbonylContact C-O 3.54Å; A215-L244 WeakPolarHBondContact CA-O 3.29Å; A215-L244 HydrophobicContact CB-CB 4.21Å; F216-L244 HydrophobicContact CE2-CD2 3.67Å; F216-L244 HydrophobicContact CE2-CG 4.13Å; F216-L244 HydrophobicContact CZ-CD2 3.86Å; F216-L244 HydrophobicContact CZ-CG 3.93Å; F216-L244 PolarHBondContact N-O 2.7Å; L244-F313 HydrophobicContact CD1-CD2 3.9Å; L244-F313 HydrophobicContact CD1-CE2 3.62Å; L244-V318 HydrophobicContact CD1-CG1 3.47Å; L244-V318 VanDerWaalsContact CD1-CG1 3.47Å; L244-V318 HydrophobicContact CG-CG1 3.97Å; L244-L320 HydrophobicContact CB-CD1 4.42Å; L244-L320 HydrophobicContact CD1-CB 4.11Å
245	E	97	Very high	93.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.1	-174.2	-168.5	52.2	-84.3	0	0	112	F216 G217 I218 R219 F290 V318 A319	F216-E245 VanDerWaalsContact C-OE2 3.27Å; F216-E245 VanDerWaalsContact CA-OE2 3.31Å; F216-E245 WeakPolarHBondContact CA-OE2 3.42Å; G217-E245 PolarHBondContact N-OE2 3.42Å; I218-E245 HydrophobicContact CG2-CB 4.3Å; I218-E245 HydrophobicContact CG2-CG 3.99Å; I218-E245 PolarHBondContact N-OE2 2.89Å; R219-E245 HydrophobicContact CB-CG 4.39Å; R219-E245 IonicContact CZ-OE1 3.12Å; R219-E245 PolarHBondContact N-OE2 2.81Å; R219-E245 VanDerWaalsContact NH1-CD 3.29Å; R219-E245 IonicContact NH1-OE1 3.31Å; R219-E245 PolarHBondContact NH1-OE1 3.33Å; R219-E245 IonicContact NH1-OE2 2.73Å; R219-E245 PolarHBondContact NH1-OE2 3.41Å; R219-E245 VanDerWaalsContact NH1-OE2 3.11Å; E245-F290 HydrophobicContact CB-CE1 4.22Å; E245-F290 HydrophobicContact CB-CZ 4.3Å; E245-F290 HydrophobicContact CG-CD1 4.12Å; E245-F290 HydrophobicContact CG-CD2 4.42Å; E245-F290 HydrophobicContact CG-CE1 3.77Å; E245-F290 HydrophobicContact CG-CE2 4.11Å; E245-F290 HydrophobicContact CG-CG 4.43Å; E245-F290 HydrophobicContact CG-CZ 3.77Å; E245-V318 CarbonylContact O-C 3.51Å; E245-V318 WeakPolarHBondContact O-CA 3.19Å; E245-V318 WeakPolarHBondContact O-CG1 3.2Å; E245-A319 PolarHBondContact N-O 3.3Å; E245-A319 PolarHBondContact O-N 3.46Å
246	F	93.6	Very high	93.4	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.066	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	144.4	169.4	-68.7	-77	0	0	0	110.7	W94 F216 I287 F290 V317 V318	W94-F246 HydrophobicContact CZ3-CE1 4.29Å; F216-F246 AromaticContact CD1-CD2 3.65Å; F216-F246 HydrophobicContact CD1-CD2 3.65Å; F216-F246 AromaticContact CD1-CE2 3.51Å; F216-F246 HydrophobicContact CD1-CE2 3.51Å; F216-F246 HydrophobicContact CD1-CG 4.42Å; F216-F246 HydrophobicContact CD1-CZ 4.18Å; F216-F246 AromaticContact CE1-CD2 4Å; F216-F246 HydrophobicContact CE1-CD2 4Å; F216-F246 HydrophobicContact CE1-CE1 4.44Å; F216-F246 AromaticContact CE1-CE2 3.83Å; F216-F246 HydrophobicContact CE1-CE2 3.83Å; F216-F246 HydrophobicContact CE1-CG 4.38Å; F216-F246 HydrophobicContact CE1-CZ 4.06Å; F216-F246 HydrophobicContact CG-CE2 4.41Å; F246-I287 HydrophobicContact CB-CB 4.36Å; F246-I287 HydrophobicContact CB-CD1 4.17Å; F246-I287 HydrophobicContact CB-CG1 3.79Å; F246-I287 HydrophobicContact CB-CG2 3.81Å; F246-I287 HydrophobicContact CD1-CD1 4.12Å; F246-I287 HydrophobicContact CD2-CD1 3.77Å; F246-I287 HydrophobicContact CD2-CG1 3.89Å; F246-I287 HydrophobicContact CE1-CD1 4.48Å; F246-I287 HydrophobicContact CE2-CD1 4.15Å; F246-I287 HydrophobicContact CG-CD1 3.75Å; F246-I287 HydrophobicContact CG-CG1 3.88Å; F246-I287 HydrophobicContact CG-CG2 4.48Å; F246-I287 HydrophobicContact CZ-CD1 4.5Å; F246-F290 VanDerWaalsContact O-CD1 3.28Å; F246-F290 WeakPolarHBondContact O-CD1 3.15Å; F246-V317 VanDerWaalsContact CA-O 3.3Å; F246-V317 WeakPolarHBondContact CA-O 3.39Å; F246-V317 HydrophobicContact CD1-CG1 4.15Å; F246-V317 WeakPolarHBondContact CD1-O 3.47Å; F246-V317 HydrophobicContact CE1-CG1 4.3Å; F246-V318 HydrophobicContact CD1-CG2 3.72Å; F246-V318 HydrophobicContact CE1-CG2 3.89Å; F246-V318 HydrophobicContact CG-CG2 4.41Å
247	S	93	Very high	92.9	Very high	7 Å²	7	49.8 Å²	49.8	5%	0.049	28%	0.282	C	S	.	.			trans	-146.4	-168.6	179.9	-159.9	0	0	0	0	110.9	Q293 G316 V317	S247-Q293 WeakPolarHBondContact OG-CG 3.44Å; S247-Q293 PolarHBondContact OG-N 3.29Å; S247-Q293 PolarHBondContact OG-OE1 2.85Å; S247-G316 CarbonylContact C-O 3.59Å; S247-G316 VanDerWaalsContact C-O 3.27Å; S247-V317 PolarHBondContact N-O 2.86Å
248	K	90.8	Very high	92.3	Very high	94 Å²	94	47.9 Å²	47.9	41%	0.409	27%	0.265	S	S	.	.			trans	-85.5	130.5	-176	-60.1	-166.1	-159.7	146.4	0	111	T250 D292 Q293 G316	K248-T250 PolarHBondContact O-N 3.15Å; K248-D292 HydrophobicContact CB-CB 4.17Å; K248-D292 HydrophobicContact CD-CB 3.63Å; K248-D292 HydrophobicContact CG-CB 3.8Å; K248-D292 IonicContact NZ-OD2 2.81Å; K248-D292 PolarHBondContact NZ-OD2 2.99Å; K248-Q293 PolarHBondContact O-NE2 3.36Å; K248-G316 CarbonylContact C-O 3.59Å; K248-G316 VanDerWaalsContact O-O 3.12Å
249	V	90.8	Very high	91.7	Very high	23 Å²	23	48.3 Å²	48.3	14%	0.139	26%	0.255	C	S	.	.			trans	-66.5	123.5	176.3	-179.7	0	0	0	0	109.9	L254 A255 Y258 V317	V249-L254 HydrophobicContact CG1-CB 3.76Å; V249-L254 HydrophobicContact CG1-CD2 3.8Å; V249-L254 HydrophobicContact CG1-CG 3.69Å; V249-A255 HydrophobicContact CB-CB 3.95Å; V249-A255 HydrophobicContact CG1-CB 4.08Å; V249-Y258 HydrophobicContact CG2-CD1 4.01Å; V249-Y258 HydrophobicContact CG2-CG 4.17Å; V249-V317 HydrophobicContact CG2-CB 4.5Å; V249-V317 HydrophobicContact CG2-CG2 3.69Å
250	T	86.7	Confident	91.2	Very high	86 Å²	86	50.2 Å²	50.2	53%	0.528	27%	0.271	S	S	.	.	S	Bend	trans	-76.5	-29.1	-174.6	56	0	0	0	0	113.6	K248 G315	K248-T250 PolarHBondContact O-N 3.15Å; T250-G315 PolarHBondContact N-O 3.28Å; T250-G315 PolarHBondContact OG1-O 3.29Å
251	N	87.4	Confident	90.6	Very high	78 Å²	78	51 Å²	51	42%	0.417	27%	0.274	S	S	.	.	S	Bend	trans	-88.9	121	179.8	-178.4	-56.8	0	0	0	110.4	V253 L254 A255	N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.43Å; N251-V253 WeakPolarHBondContact OD1-CB 3.32Å; N251-V253 PolarHBondContact OD1-N 3.48Å; N251-L254 HydrophobicContact CB-CB 3.99Å; N251-L254 PolarHBondContact O-N 3.27Å; N251-L254 PolarHBondContact OD1-N 2.64Å; N251-A255 WeakPolarHBondContact O-CB 3.34Å; N251-A255 PolarHBondContact O-N 3.01Å
252	P	87.6	Confident	89.9	Confident	96 Å²	96	51.1 Å²	51.1	62%	0.623	28%	0.275	S	S	*	.	H	α-helix	trans	-60.4	-32	-176.1	-26.2	34.5	0	0	0	115.3	K256	P252-K256 WeakPolarHBondContact O-CG 3.43Å; P252-K256 PolarHBondContact O-N 3.2Å
253	V	88.5	Confident	89	Confident	102 Å²	102	54.8 Å²	54.8	62%	0.618	29%	0.291	S	S	*	.	H	α-helix	trans	-73.2	-46.2	178.3	178.5	0	0	0	0	109.8	N251 A255 K256 L257	N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.43Å; N251-V253 WeakPolarHBondContact OD1-CB 3.32Å; N251-V253 PolarHBondContact OD1-N 3.48Å; V253-A255 VanDerWaalsContact C-N 3.28Å; V253-A255 PolarHBondContact O-N 3.06Å; V253-K256 PolarHBondContact O-N 3.21Å; V253-L257 HydrophobicContact CG1-CD1 4.44Å; V253-L257 WeakPolarHBondContact O-CG 3.34Å; V253-L257 PolarHBondContact O-N 3.35Å; V253-L257 VanDerWaalsContact O-N 3.15Å
254	L	86.9	Confident	88.4	Confident	63 Å²	63	61.6 Å²	61.6	33%	0.33	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-37.3	176.2	-175	61.1	0	0	0	111.2	V249 N251 L257 Y258	V249-L254 HydrophobicContact CG1-CB 3.76Å; V249-L254 HydrophobicContact CG1-CD2 3.8Å; V249-L254 HydrophobicContact CG1-CG 3.69Å; N251-L254 HydrophobicContact CB-CB 3.99Å; N251-L254 PolarHBondContact O-N 3.27Å; N251-L254 PolarHBondContact OD1-N 2.64Å; L254-L257 PolarHBondContact O-N 3.01Å; L254-Y258 VanDerWaalsContact O-CB 3.23Å; L254-Y258 WeakPolarHBondContact O-CB 3.3Å; L254-Y258 PolarHBondContact O-N 3.22Å
255	A	88	Confident	87.7	Confident	22 Å²	22	64.4 Å²	64.4	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-59.4	-48.6	176.7	0	0	0	0	0	111.2	V249 N251 V253 L257 Y258 D259	V249-A255 HydrophobicContact CB-CB 3.95Å; V249-A255 HydrophobicContact CG1-CB 4.08Å; N251-A255 WeakPolarHBondContact O-CB 3.34Å; N251-A255 PolarHBondContact O-N 3.01Å; V253-A255 VanDerWaalsContact C-N 3.28Å; V253-A255 PolarHBondContact O-N 3.06Å; A255-L257 PolarHBondContact O-N 3.49Å; A255-Y258 PolarHBondContact O-N 2.77Å; A255-D259 WeakPolarHBondContact O-CB 3.44Å; A255-D259 PolarHBondContact O-N 2.95Å
256	K	88.1	Confident	86.9	Confident	160 Å²	160	64.7 Å²	64.7	70%	0.696	34%	0.341	S	S	*	.	H	α-helix	trans	-60.9	-42.1	177	-72.8	-179.5	-178.7	-176.2	0	113	P252 V253 A260	P252-K256 WeakPolarHBondContact O-CG 3.43Å; P252-K256 PolarHBondContact O-N 3.2Å; V253-K256 PolarHBondContact O-N 3.21Å; K256-A260 WeakPolarHBondContact O-CB 3.35Å; K256-A260 PolarHBondContact O-N 2.91Å
257	L	87	Confident	86.3	Confident	114 Å²	114	64.2 Å²	64.2	60%	0.597	34%	0.34	S	S	*	.	H	α-helix	trans	-66.4	-44.7	177.5	-69.9	173.9	0	0	0	111.4	V253 L254 A255 D259 A260 Y261	V253-L257 HydrophobicContact CG1-CD1 4.44Å; V253-L257 WeakPolarHBondContact O-CG 3.34Å; V253-L257 PolarHBondContact O-N 3.35Å; V253-L257 VanDerWaalsContact O-N 3.15Å; L254-L257 PolarHBondContact O-N 3.01Å; A255-L257 PolarHBondContact O-N 3.49Å; L257-D259 VanDerWaalsContact C-N 3.34Å; L257-A260 PolarHBondContact O-N 3.31Å; L257-Y261 WeakPolarHBondContact O-CB 3.33Å; L257-Y261 PolarHBondContact O-N 3.42Å
258	Y	86.1	Confident	85.8	Confident	42 Å²	42	67.2 Å²	67.2	17%	0.165	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-43.5	176.5	178.2	-103.9	0	0	0	110.9	V249 L254 A255 Y261 S262 V317	V249-Y258 HydrophobicContact CG2-CD1 4.01Å; V249-Y258 HydrophobicContact CG2-CG 4.17Å; L254-Y258 VanDerWaalsContact O-CB 3.23Å; L254-Y258 WeakPolarHBondContact O-CB 3.3Å; L254-Y258 PolarHBondContact O-N 3.22Å; A255-Y258 PolarHBondContact O-N 2.77Å; Y258-Y261 PolarHBondContact O-N 2.97Å; Y258-S262 WeakPolarHBondContact CE1-OG 3.3Å; Y258-S262 VanDerWaalsContact O-CB 3.23Å; Y258-S262 WeakPolarHBondContact O-CB 3.41Å; Y258-S262 PolarHBondContact O-N 3.38Å; Y258-S262 PolarHBondContact O-OG 3.13Å; Y258-V317 HydrophobicContact CD2-CG1 4.5Å; Y258-V317 HydrophobicContact CD2-CG2 4.23Å; Y258-V317 HydrophobicContact CE2-CG1 3.89Å; Y258-V317 HydrophobicContact CE2-CG2 4.41Å
259	D	85.4	Confident	85.2	Confident	59 Å²	59	65.3 Å²	65.3	32%	0.316	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-49.2	176.7	-75.7	-31.2	0	0	0	111.5	A255 L257 Y261 S262 F263 R288	A255-D259 WeakPolarHBondContact O-CB 3.44Å; A255-D259 PolarHBondContact O-N 2.95Å; L257-D259 VanDerWaalsContact C-N 3.34Å; D259-Y261 VanDerWaalsContact C-N 3.35Å; D259-Y261 PolarHBondContact O-N 3.32Å; D259-S262 PolarHBondContact O-N 3.13Å; D259-F263 WeakPolarHBondContact O-CD2 3.42Å; D259-F263 PolarHBondContact O-N 2.89Å; D259-R288 IonicContact OD1-CZ 3.98Å; D259-R288 IonicContact OD1-NE 3.08Å; D259-R288 IonicContact OD1-NH2 3.99Å; D259-R288 PolarHBondContact OD1-NH2 3.16Å; D259-R288 IonicContact OD2-NH2 3.04Å; D259-R288 PolarHBondContact OD2-NH2 3.26Å
260	A	86.3	Confident	84.4	Confident	44 Å²	44	64.2 Å²	64.2	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-47.1	177.4	0	0	0	0	0	111.5	K256 L257 S262 Q264	K256-A260 WeakPolarHBondContact O-CB 3.35Å; K256-A260 PolarHBondContact O-N 2.91Å; L257-A260 PolarHBondContact O-N 3.31Å; A260-S262 PolarHBondContact O-N 3.27Å; A260-Q264 VanDerWaalsContact O-CB 3.25Å; A260-Q264 WeakPolarHBondContact O-CB 3.33Å; A260-Q264 WeakPolarHBondContact O-CG 3.23Å; A260-Q264 PolarHBondContact O-N 3.24Å
261	Y	85.6	Confident	84.2	Confident	63 Å²	63	64.8 Å²	64.8	25%	0.247	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-45.9	176.2	177	-102.4	0	0	0	112.2	A85 L257 Y258 D259 F263 V265 I266	A85-Y261 PolarHBondContact O-OH 3.44Å; L257-Y261 WeakPolarHBondContact O-CB 3.33Å; L257-Y261 PolarHBondContact O-N 3.42Å; Y258-Y261 PolarHBondContact O-N 2.97Å; D259-Y261 VanDerWaalsContact C-N 3.35Å; D259-Y261 PolarHBondContact O-N 3.32Å; Y261-F263 PolarHBondContact O-N 3.46Å; Y261-V265 HydrophobicContact CD2-CB 3.73Å; Y261-V265 HydrophobicContact CD2-CG1 4Å; Y261-V265 HydrophobicContact CD2-CG2 3.87Å; Y261-V265 HydrophobicContact CE2-CB 3.86Å; Y261-V265 HydrophobicContact CE2-CG1 3.64Å; Y261-V265 HydrophobicContact CE2-CG2 4.37Å; Y261-V265 HydrophobicContact CG-CB 4.42Å; Y261-V265 WeakPolarHBondContact O-CA 2.94Å; Y261-V265 WeakPolarHBondContact O-CB 2.99Å; Y261-V265 PolarHBondContact O-N 2.93Å; Y261-I266 HydrophobicContact CD1-CD1 3.97Å; Y261-I266 HydrophobicContact CD1-CG1 3.97Å; Y261-I266 HydrophobicContact CE1-CD1 3.69Å; Y261-I266 HydrophobicContact CE1-CG1 3.55Å; Y261-I266 PolarHBondContact O-N 3.44Å
262	S	83.5	Confident	83.9	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-41.2	-175.1	-56.4	0	0	0	0	112.2	Y258 D259 A260 P267 V284	Y258-S262 WeakPolarHBondContact CE1-OG 3.3Å; Y258-S262 VanDerWaalsContact O-CB 3.23Å; Y258-S262 WeakPolarHBondContact O-CB 3.41Å; Y258-S262 PolarHBondContact O-N 3.38Å; Y258-S262 PolarHBondContact O-OG 3.13Å; D259-S262 PolarHBondContact O-N 3.13Å; A260-S262 PolarHBondContact O-N 3.27Å; S262-P267 WeakPolarHBondContact O-CD 3.32Å; S262-V284 WeakPolarHBondContact O-CG2 3.39Å
263	F	81.5	Confident	83.3	Confident	77 Å²	77	65.9 Å²	65.9	34%	0.338	35%	0.346	S	S	.	.	H	α-helix	trans	-83.7	-32.3	-178	-80.5	-88.1	0	0	0	113.8	F56 D259 Y261 V284 R288	F56-F263 HydrophobicContact CE2-CE1 4.25Å; F56-F263 HydrophobicContact CE2-CZ 4.43Å; F56-F263 HydrophobicContact CZ-CZ 4.24Å; D259-F263 WeakPolarHBondContact O-CD2 3.42Å; D259-F263 PolarHBondContact O-N 2.89Å; Y261-F263 PolarHBondContact O-N 3.46Å; F263-V284 HydrophobicContact CD1-CG1 4.43Å; F263-V284 HydrophobicContact CD2-CG1 4.1Å; F263-V284 HydrophobicContact CE1-CG1 4.04Å; F263-V284 HydrophobicContact CE2-CG1 3.6Å; F263-V284 HydrophobicContact CG-CG1 4.46Å; F263-V284 HydrophobicContact CZ-CG1 3.59Å; F263-R288 VanDerWaalsContact CZ-CZ 3.45Å
264	Q	84.4	Confident	82.5	Confident	143 Å²	143	61.3 Å²	61.3	67%	0.668	32%	0.318	S	S	*	.	H	α-helix	trans	-102	-25	-170.6	-57.9	179.7	-9.5	0	0	113	A260 V268	A260-Q264 VanDerWaalsContact O-CB 3.25Å; A260-Q264 WeakPolarHBondContact O-CB 3.33Å; A260-Q264 WeakPolarHBondContact O-CG 3.23Å; A260-Q264 PolarHBondContact O-N 3.24Å; Q264-V268 VanDerWaalsContact O-CG2 3.24Å; Q264-V268 WeakPolarHBondContact O-CG2 3.4Å
265	V	82.8	Confident	82.1	Confident	60 Å²	60	60.9 Å²	60.9	36%	0.364	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-48.4	-173.3	-173.1	0	0	0	0	111.5	Y261 V268 L269	Y261-V265 HydrophobicContact CD2-CB 3.73Å; Y261-V265 HydrophobicContact CD2-CG1 4Å; Y261-V265 HydrophobicContact CD2-CG2 3.87Å; Y261-V265 HydrophobicContact CE2-CB 3.86Å; Y261-V265 HydrophobicContact CE2-CG1 3.64Å; Y261-V265 HydrophobicContact CE2-CG2 4.37Å; Y261-V265 HydrophobicContact CG-CB 4.42Å; Y261-V265 WeakPolarHBondContact O-CA 2.94Å; Y261-V265 WeakPolarHBondContact O-CB 2.99Å; Y261-V265 PolarHBondContact O-N 2.93Å; V265-V268 PolarHBondContact O-N 2.91Å; V265-L269 VanDerWaalsContact O-CB 3.25Å; V265-L269 WeakPolarHBondContact O-CB 3.27Å; V265-L269 PolarHBondContact O-N 2.81Å
266	I	81.4	Confident	81.7	Confident	7 Å²	7	61.3 Å²	61.3	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-50.9	-171.8	-66.5	-178.9	0	0	0	112.7	M86 Y261 V268 L269 G270 Y280 V284	M86-I266 HydrophobicContact CG-CG2 3.92Å; M86-I266 HydrophobicContact SD-CG2 4.33Å; Y261-I266 HydrophobicContact CD1-CD1 3.97Å; Y261-I266 HydrophobicContact CD1-CG1 3.97Å; Y261-I266 HydrophobicContact CE1-CD1 3.69Å; Y261-I266 HydrophobicContact CE1-CG1 3.55Å; Y261-I266 PolarHBondContact O-N 3.44Å; I266-V268 PolarHBondContact O-N 3.31Å; I266-L269 PolarHBondContact O-N 2.87Å; I266-G270 PolarHBondContact O-N 3.42Å; I266-Y280 HydrophobicContact CG2-CD1 3.73Å; I266-V284 HydrophobicContact CB-CG2 4.35Å; I266-V284 HydrophobicContact CG2-CG2 4.11Å
267	P	81.2	Confident	81.4	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-40.5	178.7	-26.5	36.7	0	0	0	113.2	S262 L269 G270 E271 W277	S262-P267 WeakPolarHBondContact O-CD 3.32Å; P267-L269 VanDerWaalsContact C-N 3.32Å; P267-L269 PolarHBondContact O-N 3.12Å; P267-G270 WeakPolarHBondContact O-CA 3.39Å; P267-G270 PolarHBondContact O-N 3.29Å; P267-G270 VanDerWaalsContact O-N 3.16Å; P267-E271 PolarHBondContact O-N 3.05Å; P267-W277 HydrophobicContact CB-CD2 3.68Å; P267-W277 HydrophobicContact CB-CE3 3.64Å; P267-W277 HydrophobicContact CB-CH2 3.44Å; P267-W277 VanDerWaalsContact CB-CH2 3.44Å; P267-W277 HydrophobicContact CB-CZ2 3.43Å; P267-W277 VanDerWaalsContact CB-CZ2 3.43Å; P267-W277 HydrophobicContact CB-CZ3 3.56Å; P267-W277 HydrophobicContact CG-CH2 4.45Å; P267-W277 HydrophobicContact CG-CZ2 4.32Å
268	V	81.7	Confident	81.3	Confident	70 Å²	70	60.7 Å²	60.7	42%	0.424	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-43.7	177.3	-179.4	0	0	0	0	110.4	Q264 V265 I266 G270 E271 V272 W277	Q264-V268 VanDerWaalsContact O-CG2 3.24Å; Q264-V268 WeakPolarHBondContact O-CG2 3.4Å; V265-V268 PolarHBondContact O-N 2.91Å; I266-V268 PolarHBondContact O-N 3.31Å; V268-G270 VanDerWaalsContact C-N 3.3Å; V268-G270 PolarHBondContact O-N 3.19Å; V268-E271 PolarHBondContact O-N 3.08Å; V268-V272 HydrophobicContact CG1-CG2 4.47Å; V268-V272 VanDerWaalsContact O-CG2 3.32Å; V268-V272 WeakPolarHBondContact O-CG2 3.22Å; V268-V272 PolarHBondContact O-N 3.49Å; V268-W277 HydrophobicContact CB-CZ3 3.97Å; V268-W277 HydrophobicContact CG2-CH2 3.83Å; V268-W277 HydrophobicContact CG2-CZ3 3.46Å; V268-W277 VanDerWaalsContact CG2-CZ3 3.46Å
269	L	78.3	Confident	81.1	Confident	53 Å²	53	58.9 Å²	58.9	28%	0.277	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-37.3	177.3	-166.7	64.6	0	0	0	111.2	A85 V265 I266 P267 V272 I273	A85-L269 HydrophobicContact CB-CD2 3.94Å; V265-L269 VanDerWaalsContact O-CB 3.25Å; V265-L269 WeakPolarHBondContact O-CB 3.27Å; V265-L269 PolarHBondContact O-N 2.81Å; I266-L269 PolarHBondContact O-N 2.87Å; P267-L269 VanDerWaalsContact C-N 3.32Å; P267-L269 PolarHBondContact O-N 3.12Å; L269-V272 PolarHBondContact O-N 2.99Å; L269-I273 HydrophobicContact CD1-CD1 3.6Å; L269-I273 HydrophobicContact CD1-CG1 4.03Å; L269-I273 HydrophobicContact CD2-CD1 4.25Å; L269-I273 HydrophobicContact CG-CD1 3.6Å; L269-I273 HydrophobicContact CG-CG1 4.22Å; L269-I273 VanDerWaalsContact O-CB 3.31Å; L269-I273 WeakPolarHBondContact O-CB 3.41Å; L269-I273 VanDerWaalsContact O-CG1 3.31Å; L269-I273 WeakPolarHBondContact O-CG1 3.25Å; L269-I273 PolarHBondContact O-N 3Å
270	G	74.5	Confident	81	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-42.7	172.6	0	0	0	0	0	113.2	I266 P267 V268 A274 G275 D276 Y280	I266-G270 PolarHBondContact O-N 3.42Å; P267-G270 WeakPolarHBondContact O-CA 3.39Å; P267-G270 PolarHBondContact O-N 3.29Å; P267-G270 VanDerWaalsContact O-N 3.16Å; V268-G270 VanDerWaalsContact C-N 3.3Å; V268-G270 PolarHBondContact O-N 3.19Å; G270-A274 CarbonylContact O-C 3.32Å; G270-A274 VanDerWaalsContact O-CA 3.29Å; G270-A274 WeakPolarHBondContact O-CA 3.45Å; G270-A274 VanDerWaalsContact O-CB 3.32Å; G270-A274 WeakPolarHBondContact O-CB 3.35Å; G270-A274 PolarHBondContact O-N 2.7Å; G270-G275 PolarHBondContact O-N 3.22Å; G270-G275 VanDerWaalsContact O-N 3.08Å; G270-D276 PolarHBondContact O-N 3.43Å; G270-Y280 VanDerWaalsContact CA-CE2 3.49Å
271	E	81.8	Confident	81	Confident	98 Å²	98	57.7 Å²	57.7	46%	0.458	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-45.2	174.5	-173	64.5	-171.2	0	0	111.8	P267 V268 G275 W277	P267-E271 PolarHBondContact O-N 3.05Å; V268-E271 PolarHBondContact O-N 3.08Å; E271-G275 WeakPolarHBondContact O-CA 3.1Å; E271-G275 PolarHBondContact O-N 3.34Å; E271-W277 HydrophobicContact CB-CB 4.23Å; E271-W277 HydrophobicContact CB-CE3 4.07Å; E271-W277 VanDerWaalsContact OE2-CB 3.27Å; E271-W277 WeakPolarHBondContact OE2-CB 3.45Å; E271-W277 PolarHBondContact OE2-N 3.27Å
272	V	80.8	Confident	81.1	Confident	116 Å²	116	55.2 Å²	55.2	70%	0.703	29%	0.288	S	S	*	.	H	α-helix	trans	-69.4	-39.6	-177.2	173.2	0	0	0	0	112.4	V268 L269	V268-V272 HydrophobicContact CG1-CG2 4.47Å; V268-V272 VanDerWaalsContact O-CG2 3.32Å; V268-V272 WeakPolarHBondContact O-CG2 3.22Å; V268-V272 PolarHBondContact O-N 3.49Å; L269-V272 PolarHBondContact O-N 2.99Å
273	I	74.7	Confident	81.2	Confident	81 Å²	81	55.5 Å²	55.5	42%	0.415	29%	0.289	S	S	.	.	H	α-helix	trans	-89	-45.9	-175.9	-62.9	-178	0	0	0	111.5	V81 A85 L269	V81-I273 HydrophobicContact CG1-CG2 3.49Å; V81-I273 VanDerWaalsContact CG1-CG2 3.49Å; A85-I273 HydrophobicContact CB-CD1 4.29Å; L269-I273 HydrophobicContact CD1-CD1 3.6Å; L269-I273 HydrophobicContact CD1-CG1 4.03Å; L269-I273 HydrophobicContact CD2-CD1 4.25Å; L269-I273 HydrophobicContact CG-CD1 3.6Å; L269-I273 HydrophobicContact CG-CG1 4.22Å; L269-I273 VanDerWaalsContact O-CB 3.31Å; L269-I273 WeakPolarHBondContact O-CB 3.41Å; L269-I273 VanDerWaalsContact O-CG1 3.31Å; L269-I273 WeakPolarHBondContact O-CG1 3.25Å; L269-I273 PolarHBondContact O-N 3Å
274	A	71.6	Confident	81.4	Confident	6 Å²	6	52.2 Å²	52.2	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-110.5	-9.3	-169.1	0	0	0	0	0	113.3	K78 G270 D276 Y280	K78-A274 HydrophobicContact CD-CB 3.71Å; K78-A274 PolarHBondContact NZ-O 3.48Å; G270-A274 CarbonylContact O-C 3.32Å; G270-A274 VanDerWaalsContact O-CA 3.29Å; G270-A274 WeakPolarHBondContact O-CA 3.45Å; G270-A274 VanDerWaalsContact O-CB 3.32Å; G270-A274 WeakPolarHBondContact O-CB 3.35Å; G270-A274 PolarHBondContact O-N 2.7Å; A274-D276 HydrophobicContact CB-CB 4.49Å; A274-D276 PolarHBondContact O-N 2.94Å; A274-Y280 HydrophobicContact CB-CE2 3.92Å
275	G	79.9	Confident	81.6	Confident	55 Å²	55	46.4 Å²	46.4	57%	0.567	25%	0.248	S	C	*	.	S	Bend	trans	60.4	30	-174.4	0	0	0	0	0	112.3	G270 E271	G270-G275 PolarHBondContact O-N 3.22Å; G270-G275 VanDerWaalsContact O-N 3.08Å; E271-G275 WeakPolarHBondContact O-CA 3.1Å; E271-G275 PolarHBondContact O-N 3.34Å
276	D	78.6	Confident	82	Confident	30 Å²	30	43.9 Å²	43.9	16%	0.16	23%	0.233	C	C	.	.			trans	-139.3	66.6	-173.4	-167.6	-2.9	0	0	0	112.3	V75 G270 A274 K278 S279 Y280	V75-D276 VanDerWaalsContact CG1-OD2 3.27Å; V75-D276 WeakPolarHBondContact CG1-OD2 3.33Å; G270-D276 PolarHBondContact O-N 3.43Å; A274-D276 HydrophobicContact CB-CB 4.49Å; A274-D276 PolarHBondContact O-N 2.94Å; D276-K278 VanDerWaalsContact C-N 3.26Å; D276-K278 PolarHBondContact O-N 2.94Å; D276-S279 VanDerWaalsContact CG-CB 3.47Å; D276-S279 WeakPolarHBondContact OD1-CB 3.43Å; D276-S279 PolarHBondContact OD1-N 2.8Å; D276-S279 VanDerWaalsContact OD1-N 3.16Å; D276-S279 PolarHBondContact OD1-OG 3.08Å; D276-S279 VanDerWaalsContact OD1-OG 3.07Å; D276-S279 WeakPolarHBondContact OD2-CB 3.38Å; D276-S279 PolarHBondContact OD2-OG 3.13Å; D276-Y280 WeakPolarHBondContact O-CD2 3.42Å
277	W	83.2	Confident	82.3	Confident	94 Å²	94	44.3 Å²	44.3	36%	0.356	24%	0.235	S	C	.	.	H	α-helix	trans	-50.8	-43.4	174.4	178.6	-86.4	0	0	0	113.8	P267 V268 E271 S279 Y280 Q281	P267-W277 HydrophobicContact CB-CD2 3.68Å; P267-W277 HydrophobicContact CB-CE3 3.64Å; P267-W277 HydrophobicContact CB-CH2 3.44Å; P267-W277 VanDerWaalsContact CB-CH2 3.44Å; P267-W277 HydrophobicContact CB-CZ2 3.43Å; P267-W277 VanDerWaalsContact CB-CZ2 3.43Å; P267-W277 HydrophobicContact CB-CZ3 3.56Å; P267-W277 HydrophobicContact CG-CH2 4.45Å; P267-W277 HydrophobicContact CG-CZ2 4.32Å; V268-W277 HydrophobicContact CB-CZ3 3.97Å; V268-W277 HydrophobicContact CG2-CH2 3.83Å; V268-W277 HydrophobicContact CG2-CZ3 3.46Å; V268-W277 VanDerWaalsContact CG2-CZ3 3.46Å; E271-W277 HydrophobicContact CB-CB 4.23Å; E271-W277 HydrophobicContact CB-CE3 4.07Å; E271-W277 VanDerWaalsContact OE2-CB 3.27Å; E271-W277 WeakPolarHBondContact OE2-CB 3.45Å; E271-W277 PolarHBondContact OE2-N 3.27Å; W277-S279 PolarHBondContact O-N 2.85Å; W277-Y280 PolarHBondContact O-N 3.45Å; W277-Q281 WeakPolarHBondContact O-CB 3.42Å; W277-Q281 PolarHBondContact O-N 2.91Å
278	K	83.8	Confident	82.6	Confident	167 Å²	167	49.4 Å²	49.4	73%	0.726	25%	0.254	S	S	*	.	H	α-helix	trans	-66.2	-41.5	-170.3	-71.1	-174.8	179.3	-178.8	0	112.2	D276 Y280 Q281 Y282	D276-K278 VanDerWaalsContact C-N 3.26Å; D276-K278 PolarHBondContact O-N 2.94Å; K278-Y280 VanDerWaalsContact C-N 3.33Å; K278-Y280 PolarHBondContact O-N 3.11Å; K278-Q281 PolarHBondContact O-N 3.32Å; K278-Y282 WeakPolarHBondContact O-CB 3.35Å; K278-Y282 PolarHBondContact O-N 3.23Å
279	S	82.9	Confident	83.1	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-38.5	177.7	-63.9	0	0	0	0	112.1	D276 W277 L283	D276-S279 VanDerWaalsContact CG-CB 3.47Å; D276-S279 WeakPolarHBondContact OD1-CB 3.43Å; D276-S279 PolarHBondContact OD1-N 2.8Å; D276-S279 VanDerWaalsContact OD1-N 3.16Å; D276-S279 PolarHBondContact OD1-OG 3.08Å; D276-S279 VanDerWaalsContact OD1-OG 3.07Å; D276-S279 WeakPolarHBondContact OD2-CB 3.38Å; D276-S279 PolarHBondContact OD2-OG 3.13Å; W277-S279 PolarHBondContact O-N 2.85Å; S279-L283 PolarHBondContact O-N 2.88Å
280	Y	83.1	Confident	83.9	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-73.8	-35.4	177.6	-76.7	-108.8	0	0	0	112.4	M82 M86 I266 G270 A274 D276 W277 K278 L283 V284	M82-Y280 VanDerWaalsContact CA-OH 3.24Å; M82-Y280 WeakPolarHBondContact CA-OH 3.41Å; M82-Y280 HydrophobicContact CB-CE1 4.22Å; M82-Y280 HydrophobicContact CB-CE2 4.35Å; M82-Y280 WeakPolarHBondContact CB-OH 3.42Å; M82-Y280 HydrophobicContact CG-CD1 4.28Å; M82-Y280 HydrophobicContact CG-CE1 3.62Å; M82-Y280 HydrophobicContact CG-CE2 3.99Å; M82-Y280 VanDerWaalsContact CG-CZ 3.47Å; M82-Y280 HydrophobicContact SD-CD2 4.43Å; M82-Y280 HydrophobicContact SD-CE2 4.15Å; M86-Y280 HydrophobicContact CG-CD1 4.25Å; M86-Y280 HydrophobicContact CG-CE1 4.06Å; M86-Y280 HydrophobicContact SD-CD1 3.86Å; M86-Y280 HydrophobicContact SD-CE1 3.86Å; I266-Y280 HydrophobicContact CG2-CD1 3.73Å; G270-Y280 VanDerWaalsContact CA-CE2 3.49Å; A274-Y280 HydrophobicContact CB-CE2 3.92Å; D276-Y280 WeakPolarHBondContact O-CD2 3.42Å; W277-Y280 PolarHBondContact O-N 3.45Å; K278-Y280 VanDerWaalsContact C-N 3.33Å; K278-Y280 PolarHBondContact O-N 3.11Å; Y280-L283 WeakPolarHBondContact O-CB 3.47Å; Y280-L283 PolarHBondContact O-N 3.26Å; Y280-V284 WeakPolarHBondContact O-CG2 3.47Å; Y280-V284 PolarHBondContact O-N 3.5Å
281	Q	86.3	Confident	84.9	Confident	77 Å²	77	49.3 Å²	49.3	36%	0.36	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-51	171.3	-178	-179.4	-31.7	0	0	110.7	W277 K278 L283 V284 E285	W277-Q281 WeakPolarHBondContact O-CB 3.42Å; W277-Q281 PolarHBondContact O-N 2.91Å; K278-Q281 PolarHBondContact O-N 3.32Å; Q281-L283 PolarHBondContact O-N 3.05Å; Q281-V284 PolarHBondContact O-N 3.44Å; Q281-V284 VanDerWaalsContact O-N 3.09Å; Q281-E285 HydrophobicContact CG-CG 4.44Å; Q281-E285 VanDerWaalsContact CG-OE1 3.31Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.31Å; Q281-E285 PolarHBondContact NE2-OE1 2.91Å; Q281-E285 WeakPolarHBondContact O-CG 3.3Å; Q281-E285 PolarHBondContact O-N 2.92Å
282	Y	87.2	Confident	85.6	Confident	10 Å²	10	46.9 Å²	46.9	4%	0.039	24%	0.236	C	C	.	.	H	α-helix	trans	-53.9	-41.9	176	166.5	-101.4	0	0	0	111.6	F54 V68 V71 N220 K278 V284 E285 S286	F54-Y282 HydrophobicContact CD1-CD2 4.02Å; F54-Y282 HydrophobicContact CD1-CE2 4.35Å; F54-Y282 AromaticContact CD2-CD2 3.8Å; F54-Y282 HydrophobicContact CD2-CD2 3.8Å; F54-Y282 AromaticContact CD2-CE2 3.4Å; F54-Y282 HydrophobicContact CD2-CE2 3.4Å; F54-Y282 AromaticContact CE1-CD2 3.68Å; F54-Y282 HydrophobicContact CE1-CD2 3.68Å; F54-Y282 HydrophobicContact CE1-CE2 4.3Å; F54-Y282 HydrophobicContact CE1-CG 4.35Å; F54-Y282 AromaticContact CE2-CD2 3.43Å; F54-Y282 HydrophobicContact CE2-CD2 3.43Å; F54-Y282 VanDerWaalsContact CE2-CD2 3.43Å; F54-Y282 AromaticContact CE2-CE2 3.33Å; F54-Y282 HydrophobicContact CE2-CE2 3.33Å; F54-Y282 HydrophobicContact CE2-CG 4.1Å; F54-Y282 AromaticContact CE2-CZ 3.95Å; F54-Y282 HydrophobicContact CG-CD2 4.07Å; F54-Y282 AromaticContact CG-CE2 3.93Å; F54-Y282 HydrophobicContact CG-CE2 3.93Å; F54-Y282 AromaticContact CZ-CD2 3.37Å; F54-Y282 HydrophobicContact CZ-CD2 3.37Å; F54-Y282 AromaticContact CZ-CE2 3.82Å; F54-Y282 HydrophobicContact CZ-CE2 3.82Å; F54-Y282 AromaticContact CZ-CG 3.83Å; F54-Y282 HydrophobicContact CZ-CG 3.83Å; V68-Y282 WeakPolarHBondContact CG2-OH 3.37Å; V71-Y282 HydrophobicContact CG1-CD1 4.14Å; V71-Y282 HydrophobicContact CG2-CD1 4.43Å; N220-Y282 WeakPolarHBondContact OD1-CE1 3.22Å; N220-Y282 PolarHBondContact OD1-OH 2.89Å; K278-Y282 WeakPolarHBondContact O-CB 3.35Å; K278-Y282 PolarHBondContact O-N 3.23Å; Y282-V284 PolarHBondContact O-N 3.06Å; Y282-E285 PolarHBondContact O-N 2.79Å; Y282-S286 WeakPolarHBondContact O-CB 3.43Å; Y282-S286 PolarHBondContact O-N 3.24Å; Y282-S286 PolarHBondContact O-OG 3.11Å
283	L	85.6	Confident	86.4	Confident	9 Å²	9	42 Å²	42	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-56.6	-53.4	176.1	175.5	74.1	0	0	0	111.9	M86 R219 S279 Y280 Q281 E285 S286 I287	M86-L283 HydrophobicContact CE-CD2 3.27Å; M86-L283 HydrophobicContact CG-CD2 4.33Å; M86-L283 HydrophobicContact SD-CD2 2.94Å; M86-L283 WeakPolarHBondContact SD-CD2 3.32Å; M86-L283 HydrophobicContact SD-CG 4.42Å; R219-L283 VanDerWaalsContact NH2-CD1 3.25Å; S279-L283 PolarHBondContact O-N 2.88Å; Y280-L283 WeakPolarHBondContact O-CB 3.47Å; Y280-L283 PolarHBondContact O-N 3.26Å; Q281-L283 PolarHBondContact O-N 3.05Å; L283-E285 VanDerWaalsContact C-N 3.26Å; L283-E285 PolarHBondContact O-N 3.48Å; L283-S286 PolarHBondContact O-N 3.01Å; L283-S286 PolarHBondContact O-OG 2.78Å; L283-I287 HydrophobicContact CD1-CD1 4.19Å; L283-I287 HydrophobicContact CD1-CG1 4.48Å; L283-I287 HydrophobicContact CG-CD1 4.01Å; L283-I287 WeakPolarHBondContact O-CG1 3.29Å; L283-I287 PolarHBondContact O-N 3.25Å
284	V	86.4	Confident	87.5	Confident	8 Å²	8	43 Å²	43	5%	0.048	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-40.5	-177.9	174.9	0	0	0	0	110.7	S262 F263 I266 Y280 Q281 Y282 I287 R288	S262-V284 WeakPolarHBondContact O-CG2 3.39Å; F263-V284 HydrophobicContact CD1-CG1 4.43Å; F263-V284 HydrophobicContact CD2-CG1 4.1Å; F263-V284 HydrophobicContact CE1-CG1 4.04Å; F263-V284 HydrophobicContact CE2-CG1 3.6Å; F263-V284 HydrophobicContact CG-CG1 4.46Å; F263-V284 HydrophobicContact CZ-CG1 3.59Å; I266-V284 HydrophobicContact CB-CG2 4.35Å; I266-V284 HydrophobicContact CG2-CG2 4.11Å; Y280-V284 WeakPolarHBondContact O-CG2 3.47Å; Y280-V284 PolarHBondContact O-N 3.5Å; Q281-V284 PolarHBondContact O-N 3.44Å; Q281-V284 VanDerWaalsContact O-N 3.09Å; Y282-V284 PolarHBondContact O-N 3.06Å; V284-I287 PolarHBondContact O-N 3.14Å; V284-R288 PolarHBondContact O-N 3.48Å
285	E	88.5	Confident	88.7	Confident	22 Å²	22	47.9 Å²	47.9	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-42.6	177.1	-64.9	178.7	-172.9	0	0	112.2	G55 F56 Q281 Y282 L283 I287 R288 K289	G55-E285 VanDerWaalsContact CA-CB 3.42Å; G55-E285 WeakPolarHBondContact CA-OE2 3.37Å; F56-E285 HydrophobicContact CD1-CB 3.96Å; F56-E285 HydrophobicContact CD1-CG 4.12Å; F56-E285 HydrophobicContact CD2-CG 3.77Å; F56-E285 HydrophobicContact CE1-CB 3.99Å; F56-E285 HydrophobicContact CE1-CG 4.16Å; F56-E285 HydrophobicContact CE2-CG 3.82Å; F56-E285 HydrophobicContact CG-CB 4.23Å; F56-E285 HydrophobicContact CG-CG 3.94Å; F56-E285 HydrophobicContact CZ-CB 4.29Å; F56-E285 HydrophobicContact CZ-CG 4.01Å; F56-E285 PolarHBondContact N-OE2 3.09Å; Q281-E285 HydrophobicContact CG-CG 4.44Å; Q281-E285 VanDerWaalsContact CG-OE1 3.31Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.31Å; Q281-E285 PolarHBondContact NE2-OE1 2.91Å; Q281-E285 WeakPolarHBondContact O-CG 3.3Å; Q281-E285 PolarHBondContact O-N 2.92Å; Y282-E285 PolarHBondContact O-N 2.79Å; L283-E285 VanDerWaalsContact C-N 3.26Å; L283-E285 PolarHBondContact O-N 3.48Å; E285-I287 VanDerWaalsContact C-N 3.33Å; E285-I287 PolarHBondContact O-N 3.23Å; E285-R288 PolarHBondContact O-N 2.9Å; E285-K289 PolarHBondContact O-N 3.36Å; E285-K289 VanDerWaalsContact O-N 3.1Å
286	S	89.5	Confident	89.6	Confident	7 Å²	7	45.3 Å²	45.3	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-39.9	177.8	74.2	0	0	0	0	112.1	R219 Y282 L283 R288 K289 F290	R219-S286 PolarHBondContact NE-OG 3.42Å; Y282-S286 WeakPolarHBondContact O-CB 3.43Å; Y282-S286 PolarHBondContact O-N 3.24Å; Y282-S286 PolarHBondContact O-OG 3.11Å; L283-S286 PolarHBondContact O-N 3.01Å; L283-S286 PolarHBondContact O-OG 2.78Å; S286-R288 VanDerWaalsContact C-N 3.29Å; S286-R288 PolarHBondContact O-N 3.46Å; S286-K289 PolarHBondContact O-N 2.89Å; S286-F290 PolarHBondContact O-N 3.46Å; S286-F290 VanDerWaalsContact O-N 3.07Å
287	I	89.1	Confident	90.6	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.082	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-40.5	176.7	-68	168.4	0	0	0	110.5	F246 L283 V284 E285 F290	F246-I287 HydrophobicContact CB-CB 4.36Å; F246-I287 HydrophobicContact CB-CD1 4.17Å; F246-I287 HydrophobicContact CB-CG1 3.79Å; F246-I287 HydrophobicContact CB-CG2 3.81Å; F246-I287 HydrophobicContact CD1-CD1 4.12Å; F246-I287 HydrophobicContact CD2-CD1 3.77Å; F246-I287 HydrophobicContact CD2-CG1 3.89Å; F246-I287 HydrophobicContact CE1-CD1 4.48Å; F246-I287 HydrophobicContact CE2-CD1 4.15Å; F246-I287 HydrophobicContact CG-CD1 3.75Å; F246-I287 HydrophobicContact CG-CG1 3.88Å; F246-I287 HydrophobicContact CG-CG2 4.48Å; F246-I287 HydrophobicContact CZ-CD1 4.5Å; L283-I287 HydrophobicContact CD1-CD1 4.19Å; L283-I287 HydrophobicContact CD1-CG1 4.48Å; L283-I287 HydrophobicContact CG-CD1 4.01Å; L283-I287 WeakPolarHBondContact O-CG1 3.29Å; L283-I287 PolarHBondContact O-N 3.25Å; V284-I287 PolarHBondContact O-N 3.14Å; E285-I287 VanDerWaalsContact C-N 3.33Å; E285-I287 PolarHBondContact O-N 3.23Å; I287-F290 PolarHBondContact O-N 2.91Å
288	R	88	Confident	91.3	Very high	113 Å²	113	42.2 Å²	42.2	43%	0.426	20%	0.197	S	C	.	.	H	α-helix	trans	-72.8	-28	179.7	-78.1	-154.6	169.4	178.2	1	114.3	F56 D259 F263 V284 E285 S286	F56-R288 HydrophobicContact CE1-CB 4.04Å; F56-R288 HydrophobicContact CZ-CB 4.3Å; D259-R288 IonicContact OD1-CZ 3.98Å; D259-R288 IonicContact OD1-NE 3.08Å; D259-R288 IonicContact OD1-NH2 3.99Å; D259-R288 PolarHBondContact OD1-NH2 3.16Å; D259-R288 IonicContact OD2-NH2 3.04Å; D259-R288 PolarHBondContact OD2-NH2 3.26Å; F263-R288 VanDerWaalsContact CZ-CZ 3.45Å; V284-R288 PolarHBondContact O-N 3.48Å; E285-R288 PolarHBondContact O-N 2.9Å; S286-R288 VanDerWaalsContact C-N 3.29Å; S286-R288 PolarHBondContact O-N 3.46Å
289	K	90.8	Very high	92	Very high	101 Å²	101	36.8 Å²	36.8	44%	0.439	18%	0.175	S	C	.	.	H	α-helix	trans	-80.8	-20.2	176	-73.5	-67.8	-171.1	167.1	0	112.9	G55 F56 E285 S286	G55-K289 WeakPolarHBondContact O-CE 3.5Å; G55-K289 WeakPolarHBondContact O-CG 3.44Å; F56-K289 HydrophobicContact CD1-CG 4.32Å; E285-K289 PolarHBondContact O-N 3.36Å; E285-K289 VanDerWaalsContact O-N 3.1Å; S286-K289 PolarHBondContact O-N 2.89Å
290	F	94.9	Very high	92.7	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.039	17%	0.174	C	C	.	.	S	Bend	trans	-64.6	138.3	178.5	-165.1	-104.6	0	0	0	110.9	I218 R219 I224 E245 F246 S286 I287 F296	I218-F290 HydrophobicContact CG2-CE2 3.8Å; I218-F290 HydrophobicContact CG2-CZ 3.89Å; R219-F290 HydrophobicContact CB-CB 4.41Å; R219-F290 HydrophobicContact CB-CD2 3.46Å; R219-F290 VanDerWaalsContact CB-CD2 3.46Å; R219-F290 HydrophobicContact CB-CE2 4.06Å; R219-F290 HydrophobicContact CB-CG 4.13Å; I224-F290 HydrophobicContact CD1-CD2 4.29Å; I224-F290 HydrophobicContact CD1-CE2 3.97Å; E245-F290 HydrophobicContact CB-CE1 4.22Å; E245-F290 HydrophobicContact CB-CZ 4.3Å; E245-F290 HydrophobicContact CG-CD1 4.12Å; E245-F290 HydrophobicContact CG-CD2 4.42Å; E245-F290 HydrophobicContact CG-CE1 3.77Å; E245-F290 HydrophobicContact CG-CE2 4.11Å; E245-F290 HydrophobicContact CG-CG 4.43Å; E245-F290 HydrophobicContact CG-CZ 3.77Å; F246-F290 VanDerWaalsContact O-CD1 3.28Å; F246-F290 WeakPolarHBondContact O-CD1 3.15Å; S286-F290 PolarHBondContact O-N 3.46Å; S286-F290 VanDerWaalsContact O-N 3.07Å; I287-F290 PolarHBondContact O-N 2.91Å; F290-F296 HydrophobicContact CE1-CB 4.49Å; F290-F296 HydrophobicContact CE1-CD1 4.09Å; F290-F296 HydrophobicContact CE1-CD2 4.45Å; F290-F296 HydrophobicContact CE1-CE1 4.47Å; F290-F296 HydrophobicContact CE1-CG 4.09Å; F290-F296 HydrophobicContact CE2-CE2 4.46Å; F290-F296 AromaticContact CZ-CD1 3.93Å; F290-F296 HydrophobicContact CZ-CD1 3.93Å; F290-F296 AromaticContact CZ-CD2 3.83Å; F290-F296 HydrophobicContact CZ-CD2 3.83Å; F290-F296 AromaticContact CZ-CE1 3.96Å; F290-F296 HydrophobicContact CZ-CE1 3.96Å; F290-F296 AromaticContact CZ-CE2 3.88Å; F290-F296 HydrophobicContact CZ-CE2 3.88Å; F290-F296 AromaticContact CZ-CG 3.88Å; F290-F296 HydrophobicContact CZ-CG 3.88Å; F290-F296 AromaticContact CZ-CZ 3.95Å; F290-F296 HydrophobicContact CZ-CZ 3.95Å
291	P	96.2	Very high	93.5	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.071	19%	0.192	C	C	.	.			trans	-54.5	151.8	175.2	21.8	-35.1	0	0	0	111.9	E295 F296 M299	P291-E295 WeakPolarHBondContact CA-OE2 3.47Å; P291-E295 HydrophobicContact CB-CB 3.9Å; P291-E295 HydrophobicContact CB-CG 3.67Å; P291-E295 WeakPolarHBondContact CB-OE2 3.47Å; P291-F296 HydrophobicContact CB-CB 4.09Å; P291-F296 HydrophobicContact CG-CB 3.87Å; P291-F296 HydrophobicContact CG-CD2 3.95Å; P291-F296 HydrophobicContact CG-CG 4.22Å; P291-M299 HydrophobicContact CB-SD 4.32Å; P291-M299 HydrophobicContact CG-SD 3.95Å
292	D	96.4	Very high	94.1	Very high	46 Å²	46	43.5 Å²	43.5	25%	0.246	21%	0.211	C	C	.	.			trans	-74	179.3	171.2	58.1	55.5	0	0	0	112.6	K248 E294 E295 F296	K248-D292 HydrophobicContact CB-CB 4.17Å; K248-D292 HydrophobicContact CD-CB 3.63Å; K248-D292 HydrophobicContact CG-CB 3.8Å; K248-D292 IonicContact NZ-OD2 2.81Å; K248-D292 PolarHBondContact NZ-OD2 2.99Å; D292-E294 VanDerWaalsContact C-N 3.34Å; D292-E294 PolarHBondContact O-N 2.9Å; D292-E294 PolarHBondContact OD1-N 3.16Å; D292-E295 PolarHBondContact O-N 3.38Å; D292-E295 WeakPolarHBondContact OD1-CB 3.43Å; D292-E295 PolarHBondContact OD1-N 3.35Å; D292-F296 VanDerWaalsContact O-CB 3.24Å; D292-F296 WeakPolarHBondContact O-CB 3.45Å; D292-F296 PolarHBondContact O-N 3.28Å
293	Q	97.3	Very high	94.6	Very high	13 Å²	13	43.4 Å²	43.4	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-43	-172.6	-64.6	89.9	-24.7	0	0	113.2	S247 K248 K297 Y310 N312 A319 H321	S247-Q293 WeakPolarHBondContact OG-CG 3.44Å; S247-Q293 PolarHBondContact OG-N 3.29Å; S247-Q293 PolarHBondContact OG-OE1 2.85Å; K248-Q293 PolarHBondContact O-NE2 3.36Å; Q293-K297 WeakPolarHBondContact O-CB 3.25Å; Q293-K297 PolarHBondContact O-N 2.98Å; Q293-Y310 HydrophobicContact CB-CD1 4.1Å; Q293-Y310 HydrophobicContact CB-CD2 3.73Å; Q293-Y310 HydrophobicContact CB-CE1 3.98Å; Q293-Y310 HydrophobicContact CB-CE2 3.59Å; Q293-Y310 HydrophobicContact CB-CG 3.99Å; Q293-Y310 HydrophobicContact CG-CD2 3.89Å; Q293-Y310 HydrophobicContact CG-CE2 3.9Å; Q293-Y310 HydrophobicContact CG-CG 4.48Å; Q293-N312 WeakPolarHBondContact CG-OD1 3.45Å; Q293-N312 PolarHBondContact NE2-OD1 3.31Å; Q293-A319 HydrophobicContact CG-CB 3.91Å; Q293-H321 PolarHBondContact O-NE2 2.89Å
294	E	97.8	Very high	95.2	Very high	104 Å²	104	44.3 Å²	44.3	49%	0.486	22%	0.224	S	C	.	.	H	α-helix	trans	-77.6	-40.8	-177.5	-71	-66.7	174.5	0	0	110.9	D292 K297 G298 Y310	D292-E294 VanDerWaalsContact C-N 3.34Å; D292-E294 PolarHBondContact O-N 2.9Å; D292-E294 PolarHBondContact OD1-N 3.16Å; E294-K297 WeakPolarHBondContact O-CB 3.24Å; E294-K297 PolarHBondContact O-N 3.31Å; E294-G298 PolarHBondContact O-N 2.74Å; E294-Y310 HydrophobicContact CG-CE1 4.32Å; E294-Y310 WeakPolarHBondContact OE1-CE1 3.39Å; E294-Y310 PolarHBondContact OE1-OH 3.46Å
295	E	97.8	Very high	95.8	Very high	108 Å²	108	44.2 Å²	44.2	51%	0.505	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-49.6	174.8	-175.1	178.5	-165.9	0	0	111.1	P291 D292 K297 G298 M299	P291-E295 WeakPolarHBondContact CA-OE2 3.47Å; P291-E295 HydrophobicContact CB-CB 3.9Å; P291-E295 HydrophobicContact CB-CG 3.67Å; P291-E295 WeakPolarHBondContact CB-OE2 3.47Å; D292-E295 PolarHBondContact O-N 3.38Å; D292-E295 WeakPolarHBondContact OD1-CB 3.43Å; D292-E295 PolarHBondContact OD1-N 3.35Å; E295-K297 VanDerWaalsContact C-N 3.32Å; E295-K297 PolarHBondContact O-N 2.84Å; E295-G298 PolarHBondContact O-N 3.48Å; E295-G298 VanDerWaalsContact O-N 3.13Å; E295-M299 WeakPolarHBondContact O-CG 3.48Å; E295-M299 PolarHBondContact O-N 3.32Å
296	F	98.4	Very high	96.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-34.2	178.7	-171.6	-127.5	0	0	0	112.3	I218 I224 L228 C243 F290 P291 D292 G298 M299 I300 H321	I218-F296 HydrophobicContact CD1-CE2 4.34Å; I218-F296 HydrophobicContact CD1-CZ 4.02Å; I218-F296 HydrophobicContact CG2-CZ 4.28Å; I224-F296 HydrophobicContact CG2-CD2 4.37Å; I224-F296 HydrophobicContact CG2-CE2 3.75Å; L228-F296 HydrophobicContact CD1-CE2 4.38Å; C243-F296 HydrophobicContact CB-CE1 4.09Å; C243-F296 HydrophobicContact CB-CZ 4.38Å; F290-F296 HydrophobicContact CE1-CB 4.49Å; F290-F296 HydrophobicContact CE1-CD1 4.09Å; F290-F296 HydrophobicContact CE1-CD2 4.45Å; F290-F296 HydrophobicContact CE1-CE1 4.47Å; F290-F296 HydrophobicContact CE1-CG 4.09Å; F290-F296 HydrophobicContact CE2-CE2 4.46Å; F290-F296 AromaticContact CZ-CD1 3.93Å; F290-F296 HydrophobicContact CZ-CD1 3.93Å; F290-F296 AromaticContact CZ-CD2 3.83Å; F290-F296 HydrophobicContact CZ-CD2 3.83Å; F290-F296 AromaticContact CZ-CE1 3.96Å; F290-F296 HydrophobicContact CZ-CE1 3.96Å; F290-F296 AromaticContact CZ-CE2 3.88Å; F290-F296 HydrophobicContact CZ-CE2 3.88Å; F290-F296 AromaticContact CZ-CG 3.88Å; F290-F296 HydrophobicContact CZ-CG 3.88Å; F290-F296 AromaticContact CZ-CZ 3.95Å; F290-F296 HydrophobicContact CZ-CZ 3.95Å; P291-F296 HydrophobicContact CB-CB 4.09Å; P291-F296 HydrophobicContact CG-CB 3.87Å; P291-F296 HydrophobicContact CG-CD2 3.95Å; P291-F296 HydrophobicContact CG-CG 4.22Å; D292-F296 VanDerWaalsContact O-CB 3.24Å; D292-F296 WeakPolarHBondContact O-CB 3.45Å; D292-F296 PolarHBondContact O-N 3.28Å; F296-G298 VanDerWaalsContact C-N 3.34Å; F296-M299 HydrophobicContact CD2-SD 4.23Å; F296-M299 PolarHBondContact O-N 3.07Å; F296-I300 HydrophobicContact CD1-CD1 3.91Å; F296-I300 HydrophobicContact CE1-CD1 3.71Å; F296-I300 HydrophobicContact CE1-CG1 4.45Å; F296-I300 HydrophobicContact CE2-CD1 4.49Å; F296-I300 HydrophobicContact CE2-CG1 4.41Å; F296-I300 HydrophobicContact CG-CD1 4.39Å; F296-I300 HydrophobicContact CZ-CD1 4.01Å; F296-I300 HydrophobicContact CZ-CG1 4.27Å; F296-I300 WeakPolarHBondContact O-CD1 3.48Å; F296-I300 VanDerWaalsContact O-CG1 3.26Å; F296-I300 WeakPolarHBondContact O-CG1 3.38Å; F296-I300 PolarHBondContact O-N 2.82Å; F296-I300 VanDerWaalsContact O-N 3.09Å; F296-H321 HydrophobicContact CD1-CB 4.32Å; F296-H321 AromaticContact CD1-CD2 3.63Å; F296-H321 AromaticContact CD1-CE1 3.77Å; F296-H321 AromaticContact CD1-CG 3.67Å; F296-H321 AromaticContact CD1-ND1 3.8Å; F296-H321 AromaticContact CD1-NE2 3.7Å; F296-H321 HydrophobicContact CE1-CB 4.18Å
297	K	98.6	Very high	96.6	Very high	39 Å²	39	52.4 Å²	52.4	17%	0.17	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-46.8	170.8	178.4	-173.3	173.1	-78.5	0	110.7	Q293 E294 E295 M299 I300 E301 V308 Y310	Q293-K297 WeakPolarHBondContact O-CB 3.25Å; Q293-K297 PolarHBondContact O-N 2.98Å; E294-K297 WeakPolarHBondContact O-CB 3.24Å; E294-K297 PolarHBondContact O-N 3.31Å; E295-K297 VanDerWaalsContact C-N 3.32Å; E295-K297 PolarHBondContact O-N 2.84Å; K297-M299 VanDerWaalsContact C-N 3.33Å; K297-M299 PolarHBondContact O-N 3.2Å; K297-I300 PolarHBondContact O-N 3.17Å; K297-I300 VanDerWaalsContact O-N 3.17Å; K297-E301 IonicContact NZ-OE1 2.8Å; K297-E301 PolarHBondContact NZ-OE1 2.78Å; K297-E301 IonicContact NZ-OE2 3.96Å; K297-E301 PolarHBondContact NZ-OE2 2.78Å; K297-E301 WeakPolarHBondContact O-CG 3.47Å; K297-E301 PolarHBondContact O-N 3.32Å; K297-V308 WeakPolarHBondContact CE-O 3.48Å; K297-V308 HydrophobicContact CG-CB 4.2Å; K297-V308 HydrophobicContact CG-CG1 3.76Å; K297-Y310 HydrophobicContact CB-CD1 4.35Å; K297-Y310 HydrophobicContact CD-CD1 4.03Å; K297-Y310 HydrophobicContact CD-CE1 4.21Å
298	G	98.6	Very high	97.1	Very high	20 Å²	20	52 Å²	52	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-45.6	176.1	0	0	0	0	0	111.8	E294 E295 F296 I300 E301 D302	E294-G298 PolarHBondContact O-N 2.74Å; E295-G298 PolarHBondContact O-N 3.48Å; E295-G298 VanDerWaalsContact O-N 3.13Å; F296-G298 VanDerWaalsContact C-N 3.34Å; G298-I300 VanDerWaalsContact C-N 3.3Å; G298-I300 PolarHBondContact O-N 3.47Å; G298-E301 WeakPolarHBondContact O-CB 3.32Å; G298-E301 PolarHBondContact O-N 3.08Å; G298-E301 VanDerWaalsContact O-N 3.09Å; G298-D302 WeakPolarHBondContact O-CB 3.49Å; G298-D302 VanDerWaalsContact O-CG 3.26Å; G298-D302 PolarHBondContact O-N 3.22Å
299	M	98.6	Very high	97.5	Very high	54 Å²	54	54.9 Å²	54.9	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-38.9	175.9	-63.8	175.5	74	0	0	113	I224 L228 P291 E295 F296 K297 A303	I224-M299 HydrophobicContact CB-CE 3.81Å; I224-M299 HydrophobicContact CG2-CE 3.6Å; L228-M299 HydrophobicContact CD1-CB 4.03Å; P291-M299 HydrophobicContact CB-SD 4.32Å; P291-M299 HydrophobicContact CG-SD 3.95Å; E295-M299 WeakPolarHBondContact O-CG 3.48Å; E295-M299 PolarHBondContact O-N 3.32Å; F296-M299 HydrophobicContact CD2-SD 4.23Å; F296-M299 PolarHBondContact O-N 3.07Å; K297-M299 VanDerWaalsContact C-N 3.33Å; K297-M299 PolarHBondContact O-N 3.2Å; M299-A303 WeakPolarHBondContact O-CB 3.4Å; M299-A303 PolarHBondContact O-N 2.98Å
300	I	98.8	Very high	97.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-39.4	176.6	-63.8	160.6	0	0	0	110.7	L228 F241 F296 K297 G298 A303 F305 V308 H321	L228-I300 HydrophobicContact CD1-CG1 4.1Å; L228-I300 HydrophobicContact CD2-CG1 3.87Å; F241-I300 HydrophobicContact CD1-CG2 4.26Å; F241-I300 HydrophobicContact CE1-CD1 3.9Å; F241-I300 HydrophobicContact CE1-CG1 4.09Å; F241-I300 HydrophobicContact CE1-CG2 4.42Å; F296-I300 HydrophobicContact CD1-CD1 3.91Å; F296-I300 HydrophobicContact CE1-CD1 3.71Å; F296-I300 HydrophobicContact CE1-CG1 4.45Å; F296-I300 HydrophobicContact CE2-CD1 4.49Å; F296-I300 HydrophobicContact CE2-CG1 4.41Å; F296-I300 HydrophobicContact CG-CD1 4.39Å; F296-I300 HydrophobicContact CZ-CD1 4.01Å; F296-I300 HydrophobicContact CZ-CG1 4.27Å; F296-I300 WeakPolarHBondContact O-CD1 3.48Å; F296-I300 VanDerWaalsContact O-CG1 3.26Å; F296-I300 WeakPolarHBondContact O-CG1 3.38Å; F296-I300 PolarHBondContact O-N 2.82Å; F296-I300 VanDerWaalsContact O-N 3.09Å; K297-I300 PolarHBondContact O-N 3.17Å; K297-I300 VanDerWaalsContact O-N 3.17Å; G298-I300 VanDerWaalsContact C-N 3.3Å; G298-I300 PolarHBondContact O-N 3.47Å; I300-A303 PolarHBondContact O-N 3.05Å; I300-F305 HydrophobicContact CG2-CB 3.68Å; I300-F305 HydrophobicContact CG2-CD2 3.67Å; I300-F305 HydrophobicContact CG2-CG 3.87Å; I300-F305 WeakPolarHBondContact O-CB 3.39Å; I300-F305 WeakPolarHBondContact O-CD2 3.24Å; I300-F305 PolarHBondContact O-N 3.48Å; I300-V308 HydrophobicContact CB-CG1 3.91Å; I300-V308 HydrophobicContact CB-CG2 4.45Å; I300-V308 HydrophobicContact CD1-CG1 4.28Å; I300-V308 HydrophobicContact CG2-CB 4.4Å; I300-V308 HydrophobicContact CG2-CG1 3.65Å; I300-V308 HydrophobicContact CG2-CG2 3.76Å; I300-H321 HydrophobicContact CD1-CB 3.67Å
301	E	98.6	Very high	97.9	Very high	82 Å²	82	57.5 Å²	57.5	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-45.9	175.3	-70.3	175.3	143.9	0	0	111.2	K297 G298 A303 G304 V308	K297-E301 IonicContact NZ-OE1 2.8Å; K297-E301 PolarHBondContact NZ-OE1 2.78Å; K297-E301 IonicContact NZ-OE2 3.96Å; K297-E301 PolarHBondContact NZ-OE2 2.78Å; K297-E301 WeakPolarHBondContact O-CG 3.47Å; K297-E301 PolarHBondContact O-N 3.32Å; G298-E301 WeakPolarHBondContact O-CB 3.32Å; G298-E301 PolarHBondContact O-N 3.08Å; G298-E301 VanDerWaalsContact O-N 3.09Å; E301-A303 PolarHBondContact O-N 2.68Å; E301-G304 PolarHBondContact O-N 3.17Å; E301-V308 HydrophobicContact CB-CG2 4.43Å; E301-V308 HydrophobicContact CG-CB 3.62Å; E301-V308 HydrophobicContact CG-CG1 4.37Å; E301-V308 HydrophobicContact CG-CG2 3.39Å
302	D	98.3	Very high	97.9	Very high	141 Å²	141	59.7 Å²	59.7	75%	0.754	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-31.1	176.8	-69.8	-21	0	0	0	112.1	G298 G304	G298-D302 WeakPolarHBondContact O-CB 3.49Å; G298-D302 VanDerWaalsContact O-CG 3.26Å; G298-D302 PolarHBondContact O-N 3.22Å; D302-G304 PolarHBondContact O-N 3.32Å
303	A	98.2	Very high	97.7	Very high	8 Å²	8	58.8 Å²	58.8	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-21.4	174.5	0	0	0	0	0	112.9	L228 Q229 L232 M299 I300 E301 F305	L228-A303 HydrophobicContact CB-CB 3.67Å; L228-A303 HydrophobicContact CD1-CB 4.43Å; Q229-A303 VanDerWaalsContact NE2-CA 3.25Å; Q229-A303 PolarHBondContact NE2-O 3.27Å; L232-A303 VanDerWaalsContact CD2-O 3.3Å; L232-A303 WeakPolarHBondContact CD2-O 3.42Å; M299-A303 WeakPolarHBondContact O-CB 3.4Å; M299-A303 PolarHBondContact O-N 2.98Å; I300-A303 PolarHBondContact O-N 3.05Å; E301-A303 PolarHBondContact O-N 2.68Å; A303-F305 HydrophobicContact CB-CD2 4.27Å
304	G	98.1	Very high	97.4	Very high	29 Å²	29	61.4 Å²	61.4	30%	0.299	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	114.2	7.2	178.9	0	0	0	0	0	114.5	E301 D302 F306	E301-G304 PolarHBondContact O-N 3.17Å; D302-G304 PolarHBondContact O-N 3.32Å; G304-F306 WeakPolarHBondContact O-CD2 3.37Å; G304-F306 WeakPolarHBondContact O-CE2 3.49Å
305	F	98.6	Very high	97	Very high	6 Å²	6	58 Å²	58	3%	0.026	30%	0.302	C	S	.	.			trans	-77.9	144.3	173.2	-70.8	-81.4	0	0	0	111.7	A231 L232 L235 F241 I300 A303 V308	A231-F305 HydrophobicContact CB-CZ 4.21Å; L232-F305 HydrophobicContact CB-CE1 4.43Å; L232-F305 HydrophobicContact CB-CE2 3.92Å; L232-F305 HydrophobicContact CB-CZ 3.78Å; L232-F305 HydrophobicContact CD1-CD1 3.7Å; L232-F305 HydrophobicContact CD1-CD2 4.14Å; L232-F305 HydrophobicContact CD1-CE1 3.54Å; L232-F305 HydrophobicContact CD1-CE2 4.02Å; L232-F305 HydrophobicContact CD1-CG 3.99Å; L232-F305 HydrophobicContact CD1-CZ 3.73Å; L232-F305 HydrophobicContact CG-CZ 4.4Å; L235-F305 HydrophobicContact CD1-CE1 3.65Å; L235-F305 HydrophobicContact CD1-CZ 4.06Å; F241-F305 HydrophobicContact CB-CD1 3.89Å; F241-F305 HydrophobicContact CB-CE1 3.35Å; F241-F305 HydrophobicContact CB-CE2 4.36Å; F241-F305 HydrophobicContact CB-CZ 3.61Å; F241-F305 HydrophobicContact CD2-CZ 4.17Å; F241-F305 HydrophobicContact CG-CE1 4.17Å; F241-F305 HydrophobicContact CG-CE2 4.32Å; F241-F305 AromaticContact CG-CZ 3.94Å; F241-F305 HydrophobicContact CG-CZ 3.94Å; I300-F305 HydrophobicContact CG2-CB 3.68Å; I300-F305 HydrophobicContact CG2-CD2 3.67Å; I300-F305 HydrophobicContact CG2-CG 3.87Å; I300-F305 WeakPolarHBondContact O-CB 3.39Å; I300-F305 WeakPolarHBondContact O-CD2 3.24Å; I300-F305 PolarHBondContact O-N 3.48Å; A303-F305 HydrophobicContact CB-CD2 4.27Å; F305-V308 HydrophobicContact CB-CG2 3.86Å; F305-V308 WeakPolarHBondContact O-CG2 3.4Å
306	F	98.3	Very high	96.7	Very high	110 Å²	110	52.9 Å²	52.9	48%	0.482	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	162.6	177.6	-67.4	-96.2	0	0	0	112.1	G304 V308 F324 L326	G304-F306 WeakPolarHBondContact O-CD2 3.37Å; G304-F306 WeakPolarHBondContact O-CE2 3.49Å; F306-V308 PolarHBondContact O-N 3.28Å; F306-F324 PolarHBondContact N-O 2.84Å; F306-F324 PolarHBondContact O-N 3.4Å; F306-L326 HydrophobicContact CB-CD1 3.45Å; F306-L326 VanDerWaalsContact CB-CD1 3.45Å; F306-L326 HydrophobicContact CB-CG 3.75Å; F306-L326 HydrophobicContact CD1-CD1 3.89Å; F306-L326 HydrophobicContact CD2-CB 3.79Å; F306-L326 HydrophobicContact CD2-CD1 3.84Å; F306-L326 HydrophobicContact CD2-CG 3.78Å; F306-L326 HydrophobicContact CE2-CB 4.17Å; F306-L326 HydrophobicContact CG-CB 4.3Å; F306-L326 HydrophobicContact CG-CD1 3.45Å; F306-L326 VanDerWaalsContact CG-CD1 3.45Å; F306-L326 HydrophobicContact CG-CG 3.85Å
307	C	97.7	Very high	96.3	Very high	91 Å²	91	53.4 Å²	53.4	62%	0.615	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.5	36.4	178.5	-67.2	0	0	0	0	112.7	R309 F324	C307-R309 PolarHBondContact O-N 3.45Å; C307-F324 HydrophobicContact CB-CD2 4.15Å
308	V	98.4	Very high	96.2	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	128.9	-174.8	-168.9	0	0	0	0	109.8	K297 I300 E301 F305 F306 S322	K297-V308 WeakPolarHBondContact CE-O 3.48Å; K297-V308 HydrophobicContact CG-CB 4.2Å; K297-V308 HydrophobicContact CG-CG1 3.76Å; I300-V308 HydrophobicContact CB-CG1 3.91Å; I300-V308 HydrophobicContact CB-CG2 4.45Å; I300-V308 HydrophobicContact CD1-CG1 4.28Å; I300-V308 HydrophobicContact CG2-CB 4.4Å; I300-V308 HydrophobicContact CG2-CG1 3.65Å; I300-V308 HydrophobicContact CG2-CG2 3.76Å; E301-V308 HydrophobicContact CB-CG2 4.43Å; E301-V308 HydrophobicContact CG-CB 3.62Å; E301-V308 HydrophobicContact CG-CG1 4.37Å; E301-V308 HydrophobicContact CG-CG2 3.39Å; F305-V308 HydrophobicContact CB-CG2 3.86Å; F305-V308 WeakPolarHBondContact O-CG2 3.4Å; F306-V308 PolarHBondContact O-N 3.28Å; V308-S322 CarbonylContact C-O 3.58Å; V308-S322 VanDerWaalsContact CA-O 3.25Å; V308-S322 WeakPolarHBondContact CA-O 3.31Å
309	R	97.9	Very high	96.1	Very high	174 Å²	174	50.7 Å²	50.7	66%	0.657	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.8	179.2	-67.5	-179.1	174.6	-173	-1.2	109.7	C307 F311 H321 S322	C307-R309 PolarHBondContact O-N 3.45Å; R309-F311 HydrophobicContact CB-CE2 4.42Å; R309-H321 CarbonylContact O-C 3.55Å; R309-H321 WeakPolarHBondContact O-CA 3.48Å; R309-S322 PolarHBondContact N-O 3.05Å; R309-S322 PolarHBondContact O-N 3.47Å
310	Y	97.8	Very high	96.1	Very high	69 Å²	69	48.1 Å²	48.1	27%	0.271	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154	168.7	69.2	-93.6	0	0	0	111.9	Q293 E294 K297 L320	Q293-Y310 HydrophobicContact CB-CD1 4.1Å; Q293-Y310 HydrophobicContact CB-CD2 3.73Å; Q293-Y310 HydrophobicContact CB-CE1 3.98Å; Q293-Y310 HydrophobicContact CB-CE2 3.59Å; Q293-Y310 HydrophobicContact CB-CG 3.99Å; Q293-Y310 HydrophobicContact CG-CD2 3.89Å; Q293-Y310 HydrophobicContact CG-CE2 3.9Å; Q293-Y310 HydrophobicContact CG-CG 4.48Å; E294-Y310 HydrophobicContact CG-CE1 4.32Å; E294-Y310 WeakPolarHBondContact OE1-CE1 3.39Å; E294-Y310 PolarHBondContact OE1-OH 3.46Å; K297-Y310 HydrophobicContact CB-CD1 4.35Å; K297-Y310 HydrophobicContact CD-CD1 4.03Å; K297-Y310 HydrophobicContact CD-CE1 4.21Å; Y310-L320 CarbonylContact C-O 3.54Å; Y310-L320 WeakPolarHBondContact CA-O 3.38Å
311	F	95.6	Very high	96.1	Very high	95 Å²	95	48.2 Å²	48.2	42%	0.417	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.6	175.1	-60.2	-88.1	0	0	0	109.6	R309 F313 A319 L320	R309-F311 HydrophobicContact CB-CE2 4.42Å; F311-F313 HydrophobicContact CB-CE1 4.49Å; F311-A319 WeakPolarHBondContact O-CA 3.27Å; F311-L320 PolarHBondContact N-O 2.87Å; F311-L320 PolarHBondContact O-N 2.87Å
312	N	95.7	Very high	96	Very high	58 Å²	58	44.5 Å²	44.5	31%	0.31	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.7	178.9	-77.6	-33.9	0	0	0	111.5	Q293	Q293-N312 WeakPolarHBondContact CG-OD1 3.45Å; Q293-N312 PolarHBondContact NE2-OD1 3.31Å
313	F	93.4	Very high	96	Very high	26 Å²	26	37.8 Å²	37.8	11%	0.114	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.6	169.1	-57.3	-36	0	0	0	110.4	W94 M97 L244 F311 G315 G316 V317 V318 L320	W94-F313 HydrophobicContact CB-CD2 4.14Å; W94-F313 AromaticContact CD1-CD2 3.91Å; W94-F313 AromaticContact CD1-CG 3.94Å; W94-F313 HydrophobicContact CG-CB 4.37Å; W94-F313 HydrophobicContact CG-CD2 4.14Å; M97-F313 HydrophobicContact CB-CE1 4.36Å; M97-F313 HydrophobicContact CB-CE2 4.37Å; M97-F313 HydrophobicContact CB-CZ 3.92Å; L244-F313 HydrophobicContact CD1-CD2 3.9Å; L244-F313 HydrophobicContact CD1-CE2 3.62Å; F311-F313 HydrophobicContact CB-CE1 4.49Å; F313-G315 VanDerWaalsContact C-N 3.27Å; F313-G315 PolarHBondContact O-N 3.48Å; F313-G316 PolarHBondContact O-N 3.47Å; F313-V317 PolarHBondContact O-N 3.07Å; F313-V318 HydrophobicContact CB-CB 4.37Å; F313-V318 HydrophobicContact CD2-CG1 4.11Å; F313-V318 PolarHBondContact N-O 3.04Å; F313-V318 PolarHBondContact O-N 2.6Å; F313-L320 HydrophobicContact CE2-CB 3.76Å; F313-L320 HydrophobicContact CE2-CD2 4.44Å; F313-L320 HydrophobicContact CZ-CB 3.9Å; F313-L320 HydrophobicContact CZ-CD2 4.09Å
314	T	91.3	Very high	96.1	Very high	69 Å²	69	40.9 Å²	40.9	42%	0.423	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	50.2	46.2	176.8	-47.7	0	0	0	0	112.6	W94 G316 V317	W94-T314 HydrophobicContact CZ2-CG2 4.46Å; W94-T314 WeakPolarHBondContact CZ2-OG1 3.48Å; W94-T314 PolarHBondContact NE1-OG1 2.86Å; T314-G316 VanDerWaalsContact C-N 3.29Å; T314-G316 PolarHBondContact O-N 2.97Å; T314-V317 HydrophobicContact CG2-CG2 4.39Å; T314-V317 WeakPolarHBondContact O-CG2 3.48Å
315	G	88.4	Confident	96.1	Very high	32 Å²	32	41 Å²	41	33%	0.33	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	73.4	13.4	178.7	0	0	0	0	0	115.6	T250 F313	T250-G315 PolarHBondContact N-O 3.28Å; T250-G315 PolarHBondContact OG1-O 3.29Å; F313-G315 VanDerWaalsContact C-N 3.27Å; F313-G315 PolarHBondContact O-N 3.48Å
316	G	91.1	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	103.9	5	178.4	0	0	0	0	0	114.4	S247 K248 F313 T314 V318	S247-G316 CarbonylContact C-O 3.59Å; S247-G316 VanDerWaalsContact C-O 3.27Å; K248-G316 CarbonylContact C-O 3.59Å; K248-G316 VanDerWaalsContact O-O 3.12Å; F313-G316 PolarHBondContact O-N 3.47Å; T314-G316 VanDerWaalsContact C-N 3.29Å; T314-G316 PolarHBondContact O-N 2.97Å; G316-V318 PolarHBondContact O-N 3.16Å
317	V	91.2	Very high	95.6	Very high	12 Å²	12	44.8 Å²	44.8	7%	0.073	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-40.3	171.1	175.5	0	0	0	0	110.3	W94 F246 S247 V249 Y258 F313 T314	W94-V317 HydrophobicContact CH2-CG1 4.18Å; F246-V317 VanDerWaalsContact CA-O 3.3Å; F246-V317 WeakPolarHBondContact CA-O 3.39Å; F246-V317 HydrophobicContact CD1-CG1 4.15Å; F246-V317 WeakPolarHBondContact CD1-O 3.47Å; F246-V317 HydrophobicContact CE1-CG1 4.3Å; S247-V317 PolarHBondContact N-O 2.86Å; V249-V317 HydrophobicContact CG2-CB 4.5Å; V249-V317 HydrophobicContact CG2-CG2 3.69Å; Y258-V317 HydrophobicContact CD2-CG1 4.5Å; Y258-V317 HydrophobicContact CD2-CG2 4.23Å; Y258-V317 HydrophobicContact CE2-CG1 3.89Å; Y258-V317 HydrophobicContact CE2-CG2 4.41Å; F313-V317 PolarHBondContact O-N 3.07Å; T314-V317 HydrophobicContact CG2-CG2 4.39Å; T314-V317 WeakPolarHBondContact O-CG2 3.48Å
318	V	94.7	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.3	173.7	173.6	0	0	0	0	108.7	W94 F216 L244 E245 F246 F313 G316	W94-V318 HydrophobicContact CD2-CB 4.19Å; W94-V318 HydrophobicContact CD2-CG1 4.47Å; W94-V318 HydrophobicContact CD2-CG2 3.96Å; W94-V318 HydrophobicContact CE3-CB 4.19Å; W94-V318 HydrophobicContact CE3-CG1 4.44Å; W94-V318 HydrophobicContact CE3-CG2 3.48Å; W94-V318 VanDerWaalsContact CE3-CG2 3.48Å; W94-V318 HydrophobicContact CH2-CG2 3.75Å; W94-V318 HydrophobicContact CZ2-CG2 4.15Å; W94-V318 HydrophobicContact CZ3-CB 4.45Å; W94-V318 HydrophobicContact CZ3-CG2 3.39Å; F216-V318 HydrophobicContact CE1-CG1 4.04Å; F216-V318 HydrophobicContact CE1-CG2 3.81Å; F216-V318 HydrophobicContact CZ-CG1 4.07Å; F216-V318 HydrophobicContact CZ-CG2 4.15Å; L244-V318 HydrophobicContact CD1-CG1 3.47Å; L244-V318 VanDerWaalsContact CD1-CG1 3.47Å; L244-V318 HydrophobicContact CG-CG1 3.97Å; E245-V318 CarbonylContact O-C 3.51Å; E245-V318 WeakPolarHBondContact O-CA 3.19Å; E245-V318 WeakPolarHBondContact O-CG1 3.2Å; F246-V318 HydrophobicContact CD1-CG2 3.72Å; F246-V318 HydrophobicContact CE1-CG2 3.89Å; F246-V318 HydrophobicContact CG-CG2 4.41Å; F313-V318 HydrophobicContact CB-CB 4.37Å; F313-V318 HydrophobicContact CD2-CG1 4.11Å; F313-V318 PolarHBondContact N-O 3.04Å; F313-V318 PolarHBondContact O-N 2.6Å; G316-V318 PolarHBondContact O-N 3.16Å
319	A	97.1	Very high	95.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.1	171.8	0	0	0	0	0	110.1	E245 Q293 F311	E245-A319 PolarHBondContact N-O 3.3Å; E245-A319 PolarHBondContact O-N 3.46Å; Q293-A319 HydrophobicContact CG-CB 3.91Å; F311-A319 WeakPolarHBondContact O-CA 3.27Å
320	L	98.2	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106.4	167.7	173	57.6	0	0	0	108.9	L98 V101 M242 C243 L244 Y310 F311 F313	L98-L320 HydrophobicContact CD1-CD1 3.44Å; L98-L320 VanDerWaalsContact CD1-CD1 3.44Å; L98-L320 HydrophobicContact CD1-CD2 4.2Å; L98-L320 HydrophobicContact CD1-CG 4.48Å; V101-L320 HydrophobicContact CB-CD2 3.82Å; V101-L320 HydrophobicContact CG1-CD2 3.85Å; V101-L320 HydrophobicContact CG2-CD2 4.03Å; M242-L320 HydrophobicContact CB-CD1 4.47Å; M242-L320 HydrophobicContact CE-CD1 4.18Å; M242-L320 HydrophobicContact CE-CD2 4.06Å; M242-L320 HydrophobicContact CE-CG 4.49Å; C243-L320 CarbonylContact O-C 3.52Å; C243-L320 WeakPolarHBondContact O-CA 3.5Å; C243-L320 WeakPolarHBondContact O-CD1 3.19Å; L244-L320 HydrophobicContact CB-CD1 4.42Å; L244-L320 HydrophobicContact CD1-CB 4.11Å; Y310-L320 CarbonylContact C-O 3.54Å; Y310-L320 WeakPolarHBondContact CA-O 3.38Å; F311-L320 PolarHBondContact N-O 2.87Å; F311-L320 PolarHBondContact O-N 2.87Å; F313-L320 HydrophobicContact CE2-CB 3.76Å; F313-L320 HydrophobicContact CE2-CD2 4.44Å; F313-L320 HydrophobicContact CZ-CB 3.9Å; F313-L320 HydrophobicContact CZ-CD2 4.09Å
321	H	98.6	Very high	95.1	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	144.3	172.2	-69.2	66.1	0	0	0	110.5	M242 C243 Q293 F296 I300 R309	M242-H321 CarbonylContact C-O 3.56Å; M242-H321 WeakPolarHBondContact CA-O 3.36Å; C243-H321 HydrophobicContact CB-CB 4.45Å; C243-H321 PolarHBondContact N-O 3.27Å; C243-H321 PolarHBondContact O-N 2.95Å; Q293-H321 PolarHBondContact O-NE2 2.89Å; F296-H321 HydrophobicContact CD1-CB 4.32Å; F296-H321 AromaticContact CD1-CD2 3.63Å; F296-H321 AromaticContact CD1-CE1 3.77Å; F296-H321 AromaticContact CD1-CG 3.67Å; F296-H321 AromaticContact CD1-ND1 3.8Å; F296-H321 AromaticContact CD1-NE2 3.7Å; F296-H321 HydrophobicContact CE1-CB 4.18Å; I300-H321 HydrophobicContact CD1-CB 3.67Å; R309-H321 CarbonylContact O-C 3.55Å; R309-H321 WeakPolarHBondContact O-CA 3.48Å
322	S	98.4	Very high	95	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.1	177.2	-175.2	0	0	0	0	111.4	R240 F241 V308 R309	R240-S322 PolarHBondContact NE-OG 3.16Å; R240-S322 PolarHBondContact NH2-OG 3.47Å; F241-S322 WeakPolarHBondContact O-CA 3.49Å; F241-S322 PolarHBondContact O-OG 3.45Å; V308-S322 CarbonylContact C-O 3.58Å; V308-S322 VanDerWaalsContact CA-O 3.25Å; V308-S322 WeakPolarHBondContact CA-O 3.31Å; R309-S322 PolarHBondContact N-O 3.05Å; R309-S322 PolarHBondContact O-N 3.47Å
323	G	98.4	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	169.5	175.2	0	0	0	0	0	111	F241	F241-G323 PolarHBondContact N-O 3.08Å; F241-G323 PolarHBondContact O-N 3.39Å; F241-G323 VanDerWaalsContact O-N 3.08Å
324	F	98.4	Very high	95.1	Very high	73 Å²	73	28.8 Å²	28.8	32%	0.32	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.1	-180	-65.7	-92.4	0	0	0	110.8	G239 R240 F306 C307 L326	G239-F324 WeakPolarHBondContact O-CA 3.32Å; R240-F324 HydrophobicContact CB-CD1 4.01Å; R240-F324 HydrophobicContact CB-CE1 3.88Å; R240-F324 HydrophobicContact CG-CD1 4.04Å; R240-F324 HydrophobicContact CG-CE1 3.7Å; R240-F324 HydrophobicContact CG-CZ 3.98Å; F306-F324 PolarHBondContact N-O 2.84Å; F306-F324 PolarHBondContact O-N 3.4Å; C307-F324 HydrophobicContact CB-CD2 4.15Å; F324-L326 HydrophobicContact CB-CD2 4.46Å
325	K	98.3	Very high	95.4	Very high	33 Å²	33	25.5 Å²	25.5	14%	0.143	14%	0.141	C	C	.	.			trans	-77	129.5	162	-174.8	178.6	-171.1	170.7	0	107.6	D207 L232 R233 L235 K236 G238 G239	D207-K325 IonicContact OD1-NZ 2.82Å; D207-K325 PolarHBondContact OD1-NZ 2.88Å; L232-K325 HydrophobicContact CD1-CB 3.89Å; L232-K325 HydrophobicContact CD1-CD 4.33Å; L232-K325 HydrophobicContact CD1-CG 3.82Å; L232-K325 HydrophobicContact CG-CG 4.45Å; L232-K325 VanDerWaalsContact O-CD 3.28Å; L232-K325 WeakPolarHBondContact O-CD 3.32Å; L232-K325 VanDerWaalsContact O-CE 3.32Å; L232-K325 WeakPolarHBondContact O-CE 3.27Å; L232-K325 PolarHBondContact O-NZ 3.36Å; R233-K325 PolarHBondContact O-NZ 2.96Å; L235-K325 HydrophobicContact CB-CB 4.44Å; L235-K325 HydrophobicContact CB-CD 4.17Å; L235-K325 WeakPolarHBondContact O-CD 3.31Å; L235-K325 WeakPolarHBondContact O-CE 3.17Å; L235-K325 PolarHBondContact O-NZ 2.68Å; K236-K325 WeakPolarHBondContact O-CD 3.31Å; G238-K325 VanDerWaalsContact CA-O 3.24Å; G238-K325 WeakPolarHBondContact CA-O 3.29Å; G238-K325 PolarHBondContact N-O 2.97Å; G239-K325 PolarHBondContact O-N 3.38Å
326	L	92.1	Very high	96	Very high	149 Å²	149	24.9 Å²	24.9	78%	0.78	12%	0.124	S	C	*	.			trans	-109.7	0	177	-67.5	-174.1	0	0	0	112	F306 F324	F306-L326 HydrophobicContact CB-CD1 3.45Å; F306-L326 VanDerWaalsContact CB-CD1 3.45Å; F306-L326 HydrophobicContact CB-CG 3.75Å; F306-L326 HydrophobicContact CD1-CD1 3.89Å; F306-L326 HydrophobicContact CD2-CB 3.79Å; F306-L326 HydrophobicContact CD2-CD1 3.84Å; F306-L326 HydrophobicContact CD2-CG 3.78Å; F306-L326 HydrophobicContact CE2-CB 4.17Å; F306-L326 HydrophobicContact CG-CB 4.3Å; F306-L326 HydrophobicContact CG-CD1 3.45Å; F306-L326 VanDerWaalsContact CG-CD1 3.45Å; F306-L326 HydrophobicContact CG-CG 3.85Å; F324-L326 HydrophobicContact CB-CD2 4.46Å

Retrieved 326 of 326 residues in 563.9 ms (Link to these results)

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