A0A087YKG0_POEFO Loading...

Baculoviral IAP repeat containing 2

AlphaFold DB , UniProt , Accession A0A087YKG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 642 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.9	Very low	43.7	Very low	217 Å²	217	148 Å²	148	100%	1.069	75%	0.749	S	S	*	*				0	70.7	0	-71.7	173.7	171.6	0	0	108.4
2	E	43.4	Very low	43.5	Very low	162 Å²	162	148.7 Å²	148.7	76%	0.757	74%	0.743	S	S	*	*			trans	-127.6	-34.6	-168.1	-74.7	165	115.6	0	0	113.5	L4 V5	E2-L4 PolarHBondContact O-N 2.84Å; E2-L4 VanDerWaalsContact O-N 3.11Å; E2-V5 PolarHBondContact O-N 3.42Å
3	T	43.9	Very low	43.4	Very low	127 Å²	127	143.6 Å²	143.6	78%	0.779	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-13.4	171.7	44.4	0	0	0	0	114.5
4	L	39.2	Very low	43.2	Very low	142 Å²	142	143.2 Å²	143.2	74%	0.743	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-5.6	177.5	-98.1	167.4	0	0	0	114.7	E2	E2-L4 PolarHBondContact O-N 2.84Å; E2-L4 VanDerWaalsContact O-N 3.11Å
5	V	44	Very low	43	Very low	101 Å²	101	137.3 Å²	137.3	61%	0.612	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-39.1	-179.2	-178.1	0	0	0	0	111.7	E2 L7 K8	E2-V5 PolarHBondContact O-N 3.42Å; V5-L7 VanDerWaalsContact C-N 3.27Å; V5-L7 PolarHBondContact O-N 2.91Å; V5-K8 PolarHBondContact O-N 2.93Å; V5-K8 VanDerWaalsContact O-N 3.14Å
6	Q	44.2	Very low	42.7	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-66.1	-24.6	-176.7	-70.8	-176.4	-18.6	0	0	114.1	K8	Q6-K8 PolarHBondContact O-N 3.13Å
7	L	41.7	Very low	42.3	Very low	117 Å²	117	134.8 Å²	134.8	61%	0.613	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-68.8	-15	175.2	-78.5	166.2	0	0	0	114.1	V5	V5-L7 VanDerWaalsContact C-N 3.27Å; V5-L7 PolarHBondContact O-N 2.91Å
8	K	41.4	Very low	41.8	Very low	179 Å²	179	139.8 Å²	139.8	78%	0.778	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-87.2	-11.5	-177.1	-102.1	-176.7	174.7	-177.9	0	115.8	V5 Q6	V5-K8 PolarHBondContact O-N 2.93Å; V5-K8 VanDerWaalsContact O-N 3.14Å; Q6-K8 PolarHBondContact O-N 3.13Å
9	N	46.9	Very low	41.7	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	72%	0.721	S	S	*	*	S	Bend	trans	-107.8	7.6	-179.6	-87.6	12	0	0	0	114.1	Q11	N9-Q11 PolarHBondContact O-N 3.17Å; N9-Q11 VanDerWaalsContact O-N 3.13Å
10	N	42.7	Very low	41.5	Very low	86 Å²	86	136.6 Å²	136.6	46%	0.46	71%	0.711	S	S	.	*			trans	-76.7	105.3	179.2	-165.1	-23.3	0	0	0	110.8	F12 L13	N10-F12 PolarHBondContact O-N 3.42Å; N10-F12 VanDerWaalsContact O-N 3.09Å; N10-F12 WeakPolarHBondContact OD1-CB 3.23Å; N10-F12 PolarHBondContact OD1-N 3.31Å; N10-L13 HydrophobicContact CB-CD1 4.45Å; N10-L13 PolarHBondContact O-N 3.16Å
11	Q	44.8	Very low	40.9	Very low	175 Å²	175	136 Å²	136	82%	0.818	72%	0.715	S	S	*	*	H	α-helix	trans	-58	-26.6	-172.9	-148.7	172.3	28.5	0	0	113.2	N9 G15	N9-Q11 PolarHBondContact O-N 3.17Å; N9-Q11 VanDerWaalsContact O-N 3.13Å; Q11-G15 PolarHBondContact O-N 2.85Å
12	F	41.3	Very low	40.2	Very low	156 Å²	156	130.2 Å²	130.2	68%	0.684	69%	0.694	S	S	*	*	H	α-helix	trans	-61.8	-43.4	175.3	-172.6	-99.9	0	0	0	112.8	N10 M14 G15 L16	N10-F12 PolarHBondContact O-N 3.42Å; N10-F12 VanDerWaalsContact O-N 3.09Å; N10-F12 WeakPolarHBondContact OD1-CB 3.23Å; N10-F12 PolarHBondContact OD1-N 3.31Å; F12-M14 PolarHBondContact O-N 2.96Å; F12-G15 PolarHBondContact O-N 3.41Å; F12-L16 HydrophobicContact CE1-CD1 4.48Å
13	L	42.4	Very low	39.7	Very low	83 Å²	83	128.2 Å²	128.2	44%	0.435	70%	0.695	S	S	.	*	H	α-helix	trans	-72.7	-30.1	-177.6	-64.9	177.6	0	0	0	112.4	N10 G15 L16	N10-L13 HydrophobicContact CB-CD1 4.45Å; N10-L13 PolarHBondContact O-N 3.16Å; L13-G15 PolarHBondContact O-N 2.88Å; L13-L16 HydrophobicContact CD2-CD1 4.47Å; L13-L16 PolarHBondContact O-N 3.23Å
14	M	40.1	Very low	39.4	Very low	138 Å²	138	130 Å²	130	68%	0.68	70%	0.7	S	S	*	*	H	α-helix	trans	-69.6	-20.8	174.1	-71.5	-65.1	-69.2	0	0	112.9	F12	F12-M14 PolarHBondContact O-N 2.96Å
15	G	39.8	Very low	39.1	Very low	54 Å²	54	128.5 Å²	128.5	56%	0.557	69%	0.692	S	S	*	*	H	α-helix	trans	-69.5	-36.9	173.7	0	0	0	0	0	113.3	Q11 F12 L13 C17	Q11-G15 PolarHBondContact O-N 2.85Å; F12-G15 PolarHBondContact O-N 3.41Å; L13-G15 PolarHBondContact O-N 2.88Å; G15-C17 VanDerWaalsContact C-N 3.29Å; G15-C17 PolarHBondContact O-N 2.99Å
16	L	38.6	Very low	38.6	Very low	129 Å²	129	133 Å²	133	68%	0.675	71%	0.706	S	S	*	*	H	α-helix	trans	-73.5	-16.2	-174.9	-67.7	170.3	0	0	0	114.2	F12 L13	F12-L16 HydrophobicContact CE1-CD1 4.48Å; L13-L16 HydrophobicContact CD2-CD1 4.47Å; L13-L16 PolarHBondContact O-N 3.23Å
17	C	35.1	Very low	38.6	Very low	104 Å²	104	131.1 Å²	131.1	70%	0.703	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	5.6	-179.2	-67.4	0	0	0	0	114.1	G15 N19	G15-C17 VanDerWaalsContact C-N 3.29Å; G15-C17 PolarHBondContact O-N 2.99Å; C17-N19 PolarHBondContact O-N 2.92Å
18	R	34.3	Very low	38.8	Very low	225 Å²	225	130.7 Å²	130.7	85%	0.849	69%	0.691	S	S	*	*			trans	-89.3	80.7	-177.6	-156	176.5	-165.1	-165	3	111.5	G20	R18-G20 VanDerWaalsContact C-N 3.26Å; R18-G20 PolarHBondContact O-N 2.97Å
19	N	39.3	Very low	39.3	Very low	166 Å²	166	124 Å²	124	89%	0.888	66%	0.664	S	S	*	*			trans	-64	79	173.2	-75.5	-15.9	0	0	0	112.3	C17	C17-N19 PolarHBondContact O-N 2.92Å
20	G	37.1	Very low	39.8	Very low	49 Å²	49	119.4 Å²	119.4	51%	0.505	64%	0.644	S	S	.	*	S	Bend	trans	-114.7	159.3	155.2	0	0	0	0	0	109.4	R18	R18-G20 VanDerWaalsContact C-N 3.26Å; R18-G20 PolarHBondContact O-N 2.97Å
21	P	30.4	Very low	40.7	Very low	123 Å²	123	117.7 Å²	117.7	80%	0.799	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-58.4	142.4	165.8	28.2	-33.9	0	0	0	109
22	P	34	Very low	41.6	Very low	97 Å²	97	113 Å²	113	63%	0.63	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59	144.4	170.9	27.1	-33.7	0	0	0	109.2
23	P	33.1	Very low	42.2	Very low	119 Å²	119	111.9 Å²	111.9	77%	0.773	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-58.4	145.1	172.9	27.9	-34.9	0	0	0	109.2	L25	P23-L25 PolarHBondContact O-N 3Å
24	D	36.7	Very low	43.2	Very low	165 Å²	165	111.5 Å²	111.5	88%	0.882	61%	0.61	S	S	*	*			trans	-53	97.1	-169.7	-72.1	-63.4	0	0	0	112.9	Q26	D24-Q26 PolarHBondContact O-N 3.48Å
25	L	32.7	Very low	45	Very low	111 Å²	111	105 Å²	105	58%	0.581	58%	0.578	S	S	*	*			trans	-64.6	101.3	160.9	-82.2	166.2	0	0	0	106.2	P23 Y27	P23-L25 PolarHBondContact O-N 3Å; L25-Y27 HydrophobicContact CB-CD1 4.31Å; L25-Y27 HydrophobicContact CB-CD2 4.43Å; L25-Y27 HydrophobicContact CB-CE1 3.78Å; L25-Y27 HydrophobicContact CB-CE2 3.91Å; L25-Y27 HydrophobicContact CD1-CE1 4.14Å; L25-Y27 WeakPolarHBondContact O-CD2 3.31Å; L25-Y27 VanDerWaalsContact O-CE2 3.28Å; L25-Y27 WeakPolarHBondContact O-CE2 3.28Å; L25-Y27 PolarHBondContact O-N 2.7Å
26	Q	34.4	Very low	46.7	Very low	194 Å²	194	104.7 Å²	104.7	91%	0.907	56%	0.563	S	S	*	*			trans	-73.2	77	178.5	-166.5	170	28.9	0	0	109.2	D24 D28	D24-Q26 PolarHBondContact O-N 3.48Å; Q26-D28 PolarHBondContact O-N 2.64Å
27	Y	44.1	Very low	48	Very low	130 Å²	130	101.6 Å²	101.6	51%	0.51	55%	0.552	S	S	.	*			trans	-57.1	118.9	-173.7	-61.3	-74.5	0	0	0	111.3	L25 N29 Y34	L25-Y27 HydrophobicContact CB-CD1 4.31Å; L25-Y27 HydrophobicContact CB-CD2 4.43Å; L25-Y27 HydrophobicContact CB-CE1 3.78Å; L25-Y27 HydrophobicContact CB-CE2 3.91Å; L25-Y27 HydrophobicContact CD1-CE1 4.14Å; L25-Y27 WeakPolarHBondContact O-CD2 3.31Å; L25-Y27 VanDerWaalsContact O-CE2 3.28Å; L25-Y27 WeakPolarHBondContact O-CE2 3.28Å; L25-Y27 PolarHBondContact O-N 2.7Å; Y27-N29 VanDerWaalsContact C-N 3.34Å; Y27-N29 PolarHBondContact O-N 2.86Å; Y27-Y34 HydrophobicContact CD1-CE2 4.06Å; Y27-Y34 HydrophobicContact CG-CE2 4.45Å
28	D	46.2	Very low	49.8	Very low	109 Å²	109	98.3 Å²	98.3	58%	0.583	53%	0.529	S	S	*	.			trans	-76.6	89	176.6	-173.6	18.1	0	0	0	111.5	Q26 S30	Q26-D28 PolarHBondContact O-N 2.64Å; D28-S30 PolarHBondContact O-N 3.44Å; D28-S30 WeakPolarHBondContact OD1-CB 3.43Å; D28-S30 PolarHBondContact OD1-N 2.7Å; D28-S30 PolarHBondContact OD1-OG 3.31Å; D28-S30 VanDerWaalsContact OD1-OG 3.12Å; D28-S30 WeakPolarHBondContact OD2-CB 3.11Å; D28-S30 PolarHBondContact OD2-OG 3.35Å
29	N	51.3	Low	52	Low	39 Å²	39	88 Å²	88	21%	0.209	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	2.2	175	-63.5	-38.9	0	0	0	113.5	Y27 S31 Y34 R35 F69	Y27-N29 VanDerWaalsContact C-N 3.34Å; Y27-N29 PolarHBondContact O-N 2.86Å; N29-S31 VanDerWaalsContact C-N 3.27Å; N29-S31 PolarHBondContact O-N 3.1Å; N29-Y34 WeakPolarHBondContact OD1-CD1 3.39Å; N29-Y34 WeakPolarHBondContact OD1-CE1 3.46Å; N29-R35 WeakPolarHBondContact O-CD 3.42Å; N29-R35 WeakPolarHBondContact O-CG 3.43Å; N29-R35 PolarHBondContact O-NH1 2.89Å; N29-F69 HydrophobicContact CB-CB 3.47Å; N29-F69 VanDerWaalsContact CB-CB 3.47Å; N29-F69 HydrophobicContact CB-CG 4.37Å; N29-F69 WeakPolarHBondContact O-CB 3.31Å; N29-F69 VanDerWaalsContact O-CG 3.3Å; N29-F69 WeakPolarHBondContact O-CG 3.46Å
30	S	56.9	Low	53.6	Low	56 Å²	56	84.5 Å²	84.5	39%	0.392	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-31	174.1	80.6	0	0	0	0	113.4	D28 E32 R35	D28-S30 PolarHBondContact O-N 3.44Å; D28-S30 WeakPolarHBondContact OD1-CB 3.43Å; D28-S30 PolarHBondContact OD1-N 2.7Å; D28-S30 PolarHBondContact OD1-OG 3.31Å; D28-S30 VanDerWaalsContact OD1-OG 3.12Å; D28-S30 WeakPolarHBondContact OD2-CB 3.11Å; D28-S30 PolarHBondContact OD2-OG 3.35Å; S30-E32 PolarHBondContact O-N 3.24Å; S30-R35 PolarHBondContact O-NH1 2.81Å
31	S	62.4	Low	55.3	Low	49 Å²	49	92.6 Å²	92.6	34%	0.343	50%	0.5	S	S	.	.			trans	-72.3	126	179.7	175.3	0	0	0	0	112.1	N29 L33 Y34 R35	N29-S31 VanDerWaalsContact C-N 3.27Å; N29-S31 PolarHBondContact O-N 3.1Å; S31-L33 VanDerWaalsContact C-N 3.26Å; S31-L33 PolarHBondContact O-N 2.9Å; S31-L33 PolarHBondContact OG-N 3.46Å; S31-Y34 WeakPolarHBondContact O-CB 3.29Å; S31-Y34 PolarHBondContact O-N 2.7Å; S31-Y34 PolarHBondContact OG-N 2.87Å; S31-R35 WeakPolarHBondContact O-CG 3.46Å; S31-R35 PolarHBondContact O-N 3.02Å
32	E	63.7	Low	57.6	Low	78 Å²	78	87.9 Å²	87.9	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-61.5	-36.9	171.6	-174.4	179.6	131.1	0	0	111.9	S30 Y34 R35 I36 A53 R54	S30-E32 PolarHBondContact O-N 3.24Å; E32-Y34 VanDerWaalsContact C-N 3.33Å; E32-R35 PolarHBondContact O-N 2.96Å; E32-I36 PolarHBondContact O-N 3.48Å; E32-A53 HydrophobicContact CG-CB 4.25Å; E32-R54 HydrophobicContact CG-CG 4.3Å; E32-R54 WeakPolarHBondContact OE1-CG 3.41Å; E32-R54 WeakPolarHBondContact OE2-CG 3.28Å
33	L	53.3	Low	59.7	Low	132 Å²	132	86 Å²	86	69%	0.691	45%	0.454	S	S	*	.	H	α-helix	trans	-69.1	-30.6	177	-63.2	177.6	0	0	0	112.2	S31 I36 S37	S31-L33 VanDerWaalsContact C-N 3.26Å; S31-L33 PolarHBondContact O-N 2.9Å; S31-L33 PolarHBondContact OG-N 3.46Å; L33-I36 WeakPolarHBondContact O-CG2 3.44Å; L33-S37 PolarHBondContact O-N 3.28Å
34	Y	62.8	Low	61.6	Low	75 Å²	75	85.6 Å²	85.6	29%	0.294	46%	0.461	S	S	.	.	H	α-helix	trans	-67	-51.9	167.4	-176.1	-83.1	0	0	0	110.3	Y27 N29 S31 E32 I36 S37 T38	Y27-Y34 HydrophobicContact CD1-CE2 4.06Å; Y27-Y34 HydrophobicContact CG-CE2 4.45Å; N29-Y34 WeakPolarHBondContact OD1-CD1 3.39Å; N29-Y34 WeakPolarHBondContact OD1-CE1 3.46Å; S31-Y34 WeakPolarHBondContact O-CB 3.29Å; S31-Y34 PolarHBondContact O-N 2.7Å; S31-Y34 PolarHBondContact OG-N 2.87Å; E32-Y34 VanDerWaalsContact C-N 3.33Å; Y34-I36 PolarHBondContact O-N 3.49Å; Y34-S37 WeakPolarHBondContact O-CB 3.29Å; Y34-S37 PolarHBondContact O-N 3.46Å; Y34-S37 PolarHBondContact O-OG 3.36Å; Y34-T38 HydrophobicContact CD1-CG2 4.24Å; Y34-T38 HydrophobicContact CE1-CG2 3.81Å; Y34-T38 PolarHBondContact O-N 3.05Å
35	R	78.9	Confident	63.5	Low	2 Å²	2	79.2 Å²	79.2	1%	0.008	43%	0.429	C	S	.	.	H	α-helix	trans	-58.6	-44.8	-176.5	-68.9	-167.2	-58	-81.6	-2.4	112.5	N29 S30 S31 E32 S37 T38 F39 A53 F58	N29-R35 WeakPolarHBondContact O-CD 3.42Å; N29-R35 WeakPolarHBondContact O-CG 3.43Å; N29-R35 PolarHBondContact O-NH1 2.89Å; S30-R35 PolarHBondContact O-NH1 2.81Å; S31-R35 WeakPolarHBondContact O-CG 3.46Å; S31-R35 PolarHBondContact O-N 3.02Å; E32-R35 PolarHBondContact O-N 2.96Å; R35-S37 VanDerWaalsContact C-N 3.25Å; R35-S37 PolarHBondContact O-N 3.28Å; R35-T38 WeakPolarHBondContact O-CB 3.3Å; R35-T38 PolarHBondContact O-N 3.5Å; R35-T38 VanDerWaalsContact O-N 3.12Å; R35-T38 PolarHBondContact O-OG1 3.34Å; R35-F39 WeakPolarHBondContact O-CD2 3.48Å; R35-F39 VanDerWaalsContact O-CE2 3.31Å; R35-F39 WeakPolarHBondContact O-CE2 3.43Å; R35-A53 HydrophobicContact CB-CB 4.02Å; R35-A53 VanDerWaalsContact CZ-O 3.31Å; R35-A53 PolarHBondContact NE-O 2.98Å; R35-A53 PolarHBondContact NH2-O 3.37Å; R35-F58 HydrophobicContact CB-CB 4.41Å; R35-F58 HydrophobicContact CG-CB 4.13Å
36	I	75.2	Confident	65.5	Low	46 Å²	46	77.5 Å²	77.5	24%	0.236	43%	0.425	C	S	.	.	H	α-helix	trans	-61.7	-32.5	177.8	-160.5	176.7	0	0	0	112.2	E32 L33 Y34 T38 F39 R50 A53	E32-I36 PolarHBondContact O-N 3.48Å; L33-I36 WeakPolarHBondContact O-CG2 3.44Å; Y34-I36 PolarHBondContact O-N 3.49Å; I36-T38 VanDerWaalsContact C-N 3.28Å; I36-T38 PolarHBondContact O-N 3.21Å; I36-F39 PolarHBondContact O-N 3.02Å; I36-R50 HydrophobicContact CD1-CB 3.73Å; I36-R50 HydrophobicContact CD1-CG 3.92Å; I36-A53 HydrophobicContact CB-CB 3.72Å; I36-A53 HydrophobicContact CG1-CB 4.28Å
37	S	65.2	Low	67.4	Low	65 Å²	65	68.7 Å²	68.7	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-65	-29.3	176.9	80.9	0	0	0	0	113.3	L33 Y34 R35 F39 A40	L33-S37 PolarHBondContact O-N 3.28Å; Y34-S37 WeakPolarHBondContact O-CB 3.29Å; Y34-S37 PolarHBondContact O-N 3.46Å; Y34-S37 PolarHBondContact O-OG 3.36Å; R35-S37 VanDerWaalsContact C-N 3.25Å; R35-S37 PolarHBondContact O-N 3.28Å; S37-F39 PolarHBondContact O-N 3.33Å; S37-A40 WeakPolarHBondContact O-CB 3.38Å; S37-A40 PolarHBondContact O-N 3.2Å
38	T	74.7	Confident	69	Low	34 Å²	34	65.8 Å²	65.8	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-24.5	178.3	69.5	0	0	0	0	112.8	Y34 R35 I36 A40 F58 Y59	Y34-T38 HydrophobicContact CD1-CG2 4.24Å; Y34-T38 HydrophobicContact CE1-CG2 3.81Å; Y34-T38 PolarHBondContact O-N 3.05Å; R35-T38 WeakPolarHBondContact O-CB 3.3Å; R35-T38 PolarHBondContact O-N 3.5Å; R35-T38 VanDerWaalsContact O-N 3.12Å; R35-T38 PolarHBondContact O-OG1 3.34Å; I36-T38 VanDerWaalsContact C-N 3.28Å; I36-T38 PolarHBondContact O-N 3.21Å; T38-A40 PolarHBondContact O-N 3.06Å; T38-F58 HydrophobicContact CG2-CB 4.18Å; T38-Y59 WeakPolarHBondContact O-CD1 3.37Å; T38-Y59 PolarHBondContact OG1-N 3.29Å
39	F	78.8	Confident	70.6	Confident	9 Å²	9	64.4 Å²	64.4	4%	0.039	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-79	3.5	-179	-65.2	-90.5	0	0	0	114.5	R35 I36 S37 R41 F42 E49 L52 A53 V66	R35-F39 WeakPolarHBondContact O-CD2 3.48Å; R35-F39 VanDerWaalsContact O-CE2 3.31Å; R35-F39 WeakPolarHBondContact O-CE2 3.43Å; I36-F39 PolarHBondContact O-N 3.02Å; S37-F39 PolarHBondContact O-N 3.33Å; F39-R41 PolarHBondContact O-N 3.15Å; F39-F42 HydrophobicContact CB-CB 4.07Å; F39-F42 HydrophobicContact CD1-CB 3.97Å; F39-F42 AromaticContact CD1-CD1 3.97Å; F39-F42 HydrophobicContact CD1-CD1 3.97Å; F39-F42 AromaticContact CD1-CD2 3.66Å; F39-F42 HydrophobicContact CD1-CD2 3.66Å; F39-F42 HydrophobicContact CD1-CE1 4.31Å; F39-F42 HydrophobicContact CD1-CE2 4.05Å; F39-F42 AromaticContact CD1-CG 3.63Å; F39-F42 HydrophobicContact CD1-CG 3.63Å; F39-F42 HydrophobicContact CD1-CZ 4.37Å; F39-F42 HydrophobicContact CE1-CD2 4.02Å; F39-F42 AromaticContact CE1-CE2 3.96Å; F39-F42 HydrophobicContact CE1-CE2 3.96Å; F39-F42 HydrophobicContact CE1-CG 4.37Å; F39-F42 HydrophobicContact CE1-CZ 4.23Å; F39-F42 VanDerWaalsContact O-CB 3.28Å; F39-F42 WeakPolarHBondContact O-CB 3.43Å; F39-F42 PolarHBondContact O-N 3.3Å; F39-E49 HydrophobicContact CB-CB 3.58Å; F39-E49 HydrophobicContact CB-CG 3.56Å; F39-E49 HydrophobicContact CD1-CB 4.15Å; F39-E49 HydrophobicContact CD1-CG 4.25Å; F39-E49 HydrophobicContact CD2-CB 4.29Å; F39-E49 HydrophobicContact CG-CB 3.75Å; F39-E49 HydrophobicContact CG-CG 4.08Å; F39-L52 HydrophobicContact CD1-CD1 4.25Å; F39-L52 HydrophobicContact CE1-CB 3.86Å; F39-L52 HydrophobicContact CE1-CD1 3.59Å; F39-L52 HydrophobicContact CE1-CG 4.34Å; F39-L52 HydrophobicContact CE2-CB 4.29Å; F39-L52 HydrophobicContact CZ-CB 3.55Å; F39-L52 HydrophobicContact CZ-CD1 4.2Å; F39-L52 HydrophobicContact CZ-CG 4.48Å; F39-A53 HydrophobicContact CE2-CB 4.35Å; F39-V66 HydrophobicContact CE1-CG1 3.52Å; F39-V66 HydrophobicContact CZ-CG1 3.84Å
40	A	73.1	Confident	71.6	Confident	92 Å²	92	65.3 Å²	65.3	76%	0.76	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-58.4	-8.2	177.6	0	0	0	0	0	115.2	S37 T38	S37-A40 WeakPolarHBondContact O-CB 3.38Å; S37-A40 PolarHBondContact O-N 3.2Å; T38-A40 PolarHBondContact O-N 3.06Å
41	R	72.9	Confident	72.6	Confident	220 Å²	220	64.2 Å²	64.2	83%	0.83	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-131.8	23.5	173	-63.4	-176.8	63	163.3	-0.6	113.1	F39 Y59	F39-R41 PolarHBondContact O-N 3.15Å; R41-Y59 HydrophobicContact CB-CE1 4.35Å; R41-Y59 VanDerWaalsContact O-CE1 3.24Å; R41-Y59 WeakPolarHBondContact O-CE1 3.47Å; R41-Y59 PolarHBondContact O-OH 3.43Å
42	F	79.2	Confident	73.4	Confident	24 Å²	24	61.9 Å²	61.9	11%	0.105	35%	0.347	C	S	.	.			trans	-69.8	141.7	175.2	-161.8	-125.3	0	0	0	110	F39 S45 E49 L52 Y59 D64 V66	F39-F42 HydrophobicContact CB-CB 4.07Å; F39-F42 HydrophobicContact CD1-CB 3.97Å; F39-F42 AromaticContact CD1-CD1 3.97Å; F39-F42 HydrophobicContact CD1-CD1 3.97Å; F39-F42 AromaticContact CD1-CD2 3.66Å; F39-F42 HydrophobicContact CD1-CD2 3.66Å; F39-F42 HydrophobicContact CD1-CE1 4.31Å; F39-F42 HydrophobicContact CD1-CE2 4.05Å; F39-F42 AromaticContact CD1-CG 3.63Å; F39-F42 HydrophobicContact CD1-CG 3.63Å; F39-F42 HydrophobicContact CD1-CZ 4.37Å; F39-F42 HydrophobicContact CE1-CD2 4.02Å; F39-F42 AromaticContact CE1-CE2 3.96Å; F39-F42 HydrophobicContact CE1-CE2 3.96Å; F39-F42 HydrophobicContact CE1-CG 4.37Å; F39-F42 HydrophobicContact CE1-CZ 4.23Å; F39-F42 VanDerWaalsContact O-CB 3.28Å; F39-F42 WeakPolarHBondContact O-CB 3.43Å; F39-F42 PolarHBondContact O-N 3.3Å; F42-S45 VanDerWaalsContact CE1-CB 3.42Å; F42-E49 HydrophobicContact CD1-CG 4.29Å; F42-L52 HydrophobicContact CE1-CD1 3.58Å; F42-L52 HydrophobicContact CE2-CD1 4.4Å; F42-L52 HydrophobicContact CZ-CD1 3.51Å; F42-Y59 HydrophobicContact CD2-CD1 4.38Å; F42-Y59 AromaticContact CD2-CD2 3.54Å; F42-Y59 HydrophobicContact CD2-CD2 3.54Å; F42-Y59 AromaticContact CD2-CE2 3.78Å; F42-Y59 HydrophobicContact CD2-CE2 3.78Å; F42-Y59 AromaticContact CD2-CG 3.88Å; F42-Y59 HydrophobicContact CD2-CG 3.88Å; F42-Y59 AromaticContact CE2-CD2 3.93Å; F42-Y59 HydrophobicContact CE2-CD2 3.93Å; F42-Y59 HydrophobicContact CE2-CE2 4.25Å; F42-D64 HydrophobicContact CE2-CB 4.27Å; F42-D64 WeakPolarHBondContact CE2-O 3.36Å; F42-D64 HydrophobicContact CZ-CB 4.17Å; F42-V66 HydrophobicContact CE2-CG1 3.89Å; F42-V66 HydrophobicContact CZ-CG1 4.31Å
43	P	78.5	Confident	74.3	Confident	56 Å²	56	58.2 Å²	58.2	36%	0.364	33%	0.33	S	S	.	.			trans	-67.5	157.7	171.6	30.6	-36.6	0	0	0	110.9	S45 G63 D64	P43-S45 PolarHBondContact O-N 2.97Å; P43-G63 WeakPolarHBondContact CD-O 3.24Å; P43-G63 VanDerWaalsContact CG-O 3.25Å; P43-G63 WeakPolarHBondContact CG-O 3.16Å; P43-D64 HydrophobicContact CG-CB 4.17Å
44	A	73.1	Confident	75.3	Confident	112 Å²	112	56.4 Å²	56.4	93%	0.926	31%	0.314	S	S	*	.			trans	-57.6	114.8	172.7	0	0	0	0	0	110.1
45	S	75.9	Confident	76.1	Confident	30 Å²	30	52.9 Å²	52.9	21%	0.21	30%	0.3	C	S	.	.			trans	-127.4	148.6	-170.4	-173.3	0	0	0	0	110	F42 P43 V47	F42-S45 VanDerWaalsContact CE1-CB 3.42Å; P43-S45 PolarHBondContact O-N 2.97Å; S45-V47 PolarHBondContact O-N 3.07Å; S45-V47 WeakPolarHBondContact OG-CG2 3.32Å
46	P	73.9	Confident	76.3	Confident	76 Å²	76	52.8 Å²	52.8	49%	0.494	30%	0.299	S	S	.	.	S	Bend	trans	-74.7	-2.7	178.5	32.2	-37.8	0	0	0	114	W78 Q79 A80	P46-W78 WeakPolarHBondContact CG-O 3.2Å; P46-Q79 VanDerWaalsContact CG-C 3.49Å; P46-A80 HydrophobicContact CB-CB 3.94Å
47	V	75.5	Confident	76.8	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.048	29%	0.288	C	S	.	.	S	Bend	trans	-113	145.9	170.2	-68.9	0	0	0	0	110.2	S45 L52 W78 D82	S45-V47 PolarHBondContact O-N 3.07Å; S45-V47 WeakPolarHBondContact OG-CG2 3.32Å; V47-L52 HydrophobicContact CG2-CD1 3.97Å; V47-L52 HydrophobicContact CG2-CD2 4.23Å; V47-L52 HydrophobicContact CG2-CG 4.24Å; V47-W78 HydrophobicContact CG1-CB 4.42Å; V47-W78 HydrophobicContact CG1-CE3 4.06Å; V47-W78 HydrophobicContact CG2-CB 3.55Å; V47-W78 HydrophobicContact CG2-CD2 3.78Å; V47-W78 HydrophobicContact CG2-CE3 3.92Å; V47-W78 HydrophobicContact CG2-CG 3.62Å; V47-D82 HydrophobicContact CG1-CB 3.77Å
48	T	78.1	Confident	77.7	Confident	70 Å²	70	49 Å²	49	43%	0.429	27%	0.273	S	S	.	.			trans	-83	144.9	-176.6	65.7	0	0	0	0	112.5	R50 S51 L52	T48-R50 PolarHBondContact O-N 3.44Å; T48-S51 PolarHBondContact N-OG 2.98Å; T48-S51 PolarHBondContact O-N 3.42Å; T48-S51 PolarHBondContact O-OG 2.89Å; T48-S51 WeakPolarHBondContact OG1-CB 3.3Å; T48-S51 PolarHBondContact OG1-N 3.48Å; T48-S51 VanDerWaalsContact OG1-N 3.16Å; T48-S51 PolarHBondContact OG1-OG 3.45Å; T48-S51 VanDerWaalsContact OG1-OG 3.08Å; T48-L52 WeakPolarHBondContact O-CG 3.48Å; T48-L52 PolarHBondContact O-N 3.4Å
49	E	79.3	Confident	78.2	Confident	79 Å²	79	48.8 Å²	48.8	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-51.2	-41.2	172.6	-52.3	77.9	-172	0	0	111.1	F39 F42 L52 A53	F39-E49 HydrophobicContact CB-CB 3.58Å; F39-E49 HydrophobicContact CB-CG 3.56Å; F39-E49 HydrophobicContact CD1-CB 4.15Å; F39-E49 HydrophobicContact CD1-CG 4.25Å; F39-E49 HydrophobicContact CD2-CB 4.29Å; F39-E49 HydrophobicContact CG-CB 3.75Å; F39-E49 HydrophobicContact CG-CG 4.08Å; F42-E49 HydrophobicContact CD1-CG 4.29Å; E49-L52 PolarHBondContact O-N 2.94Å; E49-A53 WeakPolarHBondContact O-CB 3.49Å; E49-A53 PolarHBondContact O-N 3.42Å
50	R	72.1	Confident	78.4	Confident	58 Å²	58	49.9 Å²	49.9	22%	0.219	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-40.6	176.7	-170.1	178	-87.7	115.7	-17.8	111.9	I36 T48 R54 G445 E446	I36-R50 HydrophobicContact CD1-CB 3.73Å; I36-R50 HydrophobicContact CD1-CG 3.92Å; T48-R50 PolarHBondContact O-N 3.44Å; R50-R54 WeakPolarHBondContact O-CB 3.4Å; R50-R54 VanDerWaalsContact O-CG 3.24Å; R50-R54 WeakPolarHBondContact O-CG 3.34Å; R50-R54 PolarHBondContact O-N 2.94Å; R50-G445 PolarHBondContact NH2-O 2.82Å; R50-E446 IonicContact CZ-OE1 2.72Å; R50-E446 VanDerWaalsContact CZ-OE1 3.3Å; R50-E446 IonicContact NH1-OE1 2.59Å; R50-E446 PolarHBondContact NH1-OE1 3.27Å; R50-E446 IonicContact NH2-OE1 2.84Å; R50-E446 PolarHBondContact NH2-OE1 2.95Å
51	S	77.1	Confident	78.7	Confident	34 Å²	34	48.1 Å²	48.1	24%	0.238	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-34.3	176.2	66.5	0	0	0	0	112.9	T48 A55	T48-S51 PolarHBondContact N-OG 2.98Å; T48-S51 PolarHBondContact O-N 3.42Å; T48-S51 PolarHBondContact O-OG 2.89Å; T48-S51 WeakPolarHBondContact OG1-CB 3.3Å; T48-S51 PolarHBondContact OG1-N 3.48Å; T48-S51 VanDerWaalsContact OG1-N 3.16Å; T48-S51 PolarHBondContact OG1-OG 3.45Å; T48-S51 VanDerWaalsContact OG1-OG 3.08Å; S51-A55 WeakPolarHBondContact O-CB 3.47Å; S51-A55 PolarHBondContact O-N 3.32Å; S51-A55 VanDerWaalsContact O-N 3.12Å
52	L	81.3	Confident	79	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-51	172.5	-66.2	163.3	0	0	0	110.7	F39 F42 V47 T48 E49 R54 A55 G56 W57 V66 W78 P84	F39-L52 HydrophobicContact CD1-CD1 4.25Å; F39-L52 HydrophobicContact CE1-CB 3.86Å; F39-L52 HydrophobicContact CE1-CD1 3.59Å; F39-L52 HydrophobicContact CE1-CG 4.34Å; F39-L52 HydrophobicContact CE2-CB 4.29Å; F39-L52 HydrophobicContact CZ-CB 3.55Å; F39-L52 HydrophobicContact CZ-CD1 4.2Å; F39-L52 HydrophobicContact CZ-CG 4.48Å; F42-L52 HydrophobicContact CE1-CD1 3.58Å; F42-L52 HydrophobicContact CE2-CD1 4.4Å; F42-L52 HydrophobicContact CZ-CD1 3.51Å; V47-L52 HydrophobicContact CG2-CD1 3.97Å; V47-L52 HydrophobicContact CG2-CD2 4.23Å; V47-L52 HydrophobicContact CG2-CG 4.24Å; T48-L52 WeakPolarHBondContact O-CG 3.48Å; T48-L52 PolarHBondContact O-N 3.4Å; E49-L52 PolarHBondContact O-N 2.94Å; L52-R54 PolarHBondContact O-N 3.39Å; L52-A55 CarbonylContact O-C 3.56Å; L52-A55 PolarHBondContact O-N 3.38Å; L52-G56 PolarHBondContact O-N 3.09Å; L52-W57 HydrophobicContact CB-CB 4.23Å; L52-W57 VanDerWaalsContact O-CB 3.3Å; L52-W57 WeakPolarHBondContact O-CB 3.35Å; L52-W57 VanDerWaalsContact O-CD1 3.28Å; L52-W57 PolarHBondContact O-N 3.34Å; L52-V66 HydrophobicContact CD1-CG1 4.37Å; L52-V66 HydrophobicContact CD2-CG1 4.49Å; L52-V66 HydrophobicContact CD2-CG2 4.23Å; L52-W78 HydrophobicContact CD2-CD2 4.1Å; L52-W78 HydrophobicContact CD2-CE3 4.32Å; L52-W78 HydrophobicContact CD2-CH2 3.58Å; L52-W78 HydrophobicContact CD2-CZ2 3.33Å; L52-W78 HydrophobicContact CD2-CZ3 4.07Å; L52-P84 HydrophobicContact CD2-CB 3.98Å; L52-P84 HydrophobicContact CD2-CG 3.91Å; L52-P84 HydrophobicContact CG-CG 4.3Å
53	A	81.1	Confident	79.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-44.3	177.4	0	0	0	0	0	113	E32 R35 I36 F39 E49 A55 G56 W57	E32-A53 HydrophobicContact CG-CB 4.25Å; R35-A53 HydrophobicContact CB-CB 4.02Å; R35-A53 VanDerWaalsContact CZ-O 3.31Å; R35-A53 PolarHBondContact NE-O 2.98Å; R35-A53 PolarHBondContact NH2-O 3.37Å; I36-A53 HydrophobicContact CB-CB 3.72Å; I36-A53 HydrophobicContact CG1-CB 4.28Å; F39-A53 HydrophobicContact CE2-CB 4.35Å; E49-A53 WeakPolarHBondContact O-CB 3.49Å; E49-A53 PolarHBondContact O-N 3.42Å; A53-A55 PolarHBondContact O-N 3.46Å; A53-G56 PolarHBondContact O-N 3.47Å; A53-W57 WeakPolarHBondContact CA-O 3.47Å
54	R	75	Confident	79.5	Confident	95 Å²	95	43.8 Å²	43.8	36%	0.358	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-42.1	175.4	-78.3	-175.3	76.5	170.6	3.6	112.9	E32 R50 L52 G56 F97 A374	E32-R54 HydrophobicContact CG-CG 4.3Å; E32-R54 WeakPolarHBondContact OE1-CG 3.41Å; E32-R54 WeakPolarHBondContact OE2-CG 3.28Å; R50-R54 WeakPolarHBondContact O-CB 3.4Å; R50-R54 VanDerWaalsContact O-CG 3.24Å; R50-R54 WeakPolarHBondContact O-CG 3.34Å; R50-R54 PolarHBondContact O-N 2.94Å; L52-R54 PolarHBondContact O-N 3.39Å; R54-G56 PolarHBondContact O-N 3.21Å; R54-G56 VanDerWaalsContact O-N 3.14Å; R54-F97 WeakPolarHBondContact O-CZ 3.34Å; R54-A374 PolarHBondContact NH1-O 3.29Å
55	A	80.3	Confident	80.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	9	175.1	0	0	0	0	0	113.7	S51 L52 A53 P84 H88	S51-A55 WeakPolarHBondContact O-CB 3.47Å; S51-A55 PolarHBondContact O-N 3.32Å; S51-A55 VanDerWaalsContact O-N 3.12Å; L52-A55 CarbonylContact O-C 3.56Å; L52-A55 PolarHBondContact O-N 3.38Å; A53-A55 PolarHBondContact O-N 3.46Å; A55-P84 VanDerWaalsContact CB-C 3.41Å; A55-P84 HydrophobicContact CB-CB 3.66Å; A55-H88 PolarHBondContact O-CE1 3.47Å; A55-H88 PolarHBondContact O-ND1 3.36Å
56	G	81.3	Confident	80.8	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	9.3	172.8	0	0	0	0	0	114.5	L52 A53 R54 C68 F69 F97	L52-G56 PolarHBondContact O-N 3.09Å; A53-G56 PolarHBondContact O-N 3.47Å; R54-G56 PolarHBondContact O-N 3.21Å; R54-G56 VanDerWaalsContact O-N 3.14Å; G56-C68 WeakPolarHBondContact O-CA 3.39Å; G56-F69 WeakPolarHBondContact O-CD1 3.33Å; G56-F69 PolarHBondContact O-N 2.96Å; G56-F69 VanDerWaalsContact O-N 3.11Å; G56-F97 VanDerWaalsContact CA-CE1 3.4Å
57	W	85.7	Confident	81.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.6	-178.4	-55.1	106.1	0	0	0	112	L52 A53 V66 Q67 C68 V73 A75 W78 P84 H88 L91	L52-W57 HydrophobicContact CB-CB 4.23Å; L52-W57 VanDerWaalsContact O-CB 3.3Å; L52-W57 WeakPolarHBondContact O-CB 3.35Å; L52-W57 VanDerWaalsContact O-CD1 3.28Å; L52-W57 PolarHBondContact O-N 3.34Å; A53-W57 WeakPolarHBondContact CA-O 3.47Å; W57-V66 HydrophobicContact CB-CB 3.92Å; W57-V66 HydrophobicContact CB-CG2 3.8Å; W57-V66 HydrophobicContact CD2-CG2 3.68Å; W57-V66 HydrophobicContact CE3-CB 4.31Å; W57-V66 HydrophobicContact CE3-CG2 3.56Å; W57-V66 HydrophobicContact CG-CB 4.47Å; W57-V66 HydrophobicContact CG-CG2 3.82Å; W57-V66 HydrophobicContact CZ3-CG2 4.27Å; W57-Q67 CarbonylContact C-O 3.58Å; W57-Q67 WeakPolarHBondContact CA-O 3.46Å; W57-C68 HydrophobicContact CE3-CB 4.33Å; W57-C68 HydrophobicContact CZ3-CB 4.44Å; W57-V73 HydrophobicContact CH2-CG1 3.71Å; W57-V73 HydrophobicContact CZ3-CG1 3.81Å; W57-V73 WeakPolarHBondContact CZ3-O 3.27Å; W57-A75 HydrophobicContact CE3-CB 4.44Å; W57-A75 HydrophobicContact CH2-CB 3.4Å; W57-A75 VanDerWaalsContact CH2-CB 3.4Å; W57-A75 HydrophobicContact CZ2-CB 3.86Å; W57-A75 HydrophobicContact CZ3-CB 3.73Å; W57-W78 HydrophobicContact CZ2-CH2 4.44Å; W57-P84 PolarHBondContact NE1-O 3.25Å; W57-H88 AromaticContact CE2-CG 3.9Å; W57-H88 AromaticContact CE2-ND1 3.89Å; W57-H88 HydrophobicContact CH2-CB 4.33Å; W57-H88 HydrophobicContact CZ2-CB 3.42Å; W57-H88 VanDerWaalsContact CZ2-CB 3.42Å; W57-H88 AromaticContact CZ2-CG 3.66Å; W57-L91 HydrophobicContact CH2-CD1 4.05Å
58	F	84.6	Confident	82.2	Confident	31 Å²	31	38.5 Å²	38.5	14%	0.136	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	153.4	165.6	71	-90.6	0	0	0	110.1	R35 T38 V66 Q67 F69	R35-F58 HydrophobicContact CB-CB 4.41Å; R35-F58 HydrophobicContact CG-CB 4.13Å; T38-F58 HydrophobicContact CG2-CB 4.18Å; F58-V66 CarbonylContact O-C 3.56Å; F58-V66 WeakPolarHBondContact O-CA 3.46Å; F58-V66 WeakPolarHBondContact O-CB 3.18Å; F58-Q67 HydrophobicContact CD1-CB 4.38Å; F58-Q67 WeakPolarHBondContact CD1-O 3.31Å; F58-Q67 HydrophobicContact CE1-CB 3.81Å; F58-Q67 HydrophobicContact CE1-CG 3.82Å; F58-Q67 WeakPolarHBondContact CE1-O 3.4Å; F58-Q67 HydrophobicContact CE2-CB 4.26Å; F58-Q67 HydrophobicContact CZ-CB 3.74Å; F58-Q67 HydrophobicContact CZ-CG 3.83Å; F58-Q67 PolarHBondContact N-O 2.91Å; F58-Q67 PolarHBondContact O-N 3.24Å; F58-F69 HydrophobicContact CD1-CB 4.39Å
59	Y	85.1	Confident	82.4	Confident	30 Å²	30	37 Å²	37	12%	0.118	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.7	-178.1	177.7	-138.9	0	0	0	112.1	T38 R41 F42 G61 G63 R65	T38-Y59 WeakPolarHBondContact O-CD1 3.37Å; T38-Y59 PolarHBondContact OG1-N 3.29Å; R41-Y59 HydrophobicContact CB-CE1 4.35Å; R41-Y59 VanDerWaalsContact O-CE1 3.24Å; R41-Y59 WeakPolarHBondContact O-CE1 3.47Å; R41-Y59 PolarHBondContact O-OH 3.43Å; F42-Y59 HydrophobicContact CD2-CD1 4.38Å; F42-Y59 AromaticContact CD2-CD2 3.54Å; F42-Y59 HydrophobicContact CD2-CD2 3.54Å; F42-Y59 AromaticContact CD2-CE2 3.78Å; F42-Y59 HydrophobicContact CD2-CE2 3.78Å; F42-Y59 AromaticContact CD2-CG 3.88Å; F42-Y59 HydrophobicContact CD2-CG 3.88Å; F42-Y59 AromaticContact CE2-CD2 3.93Å; F42-Y59 HydrophobicContact CE2-CD2 3.93Å; F42-Y59 HydrophobicContact CE2-CE2 4.25Å; Y59-G61 VanDerWaalsContact C-N 3.34Å; Y59-G61 VanDerWaalsContact CZ-CA 3.48Å; Y59-G63 VanDerWaalsContact CE2-O 3.25Å; Y59-G63 WeakPolarHBondContact CE2-O 3.32Å; Y59-G63 PolarHBondContact OH-O 3.04Å; Y59-R65 WeakPolarHBondContact CD2-O 3.42Å
60	T	83.6	Confident	82.5	Confident	32 Å²	32	40.8 Å²	40.8	20%	0.196	21%	0.21	C	C	.	.			trans	-89.1	6.3	-178.4	69.4	0	0	0	0	114.5	M62 R65 Q67	T60-M62 VanDerWaalsContact C-N 3.29Å; T60-M62 PolarHBondContact O-N 3.17Å; T60-R65 WeakPolarHBondContact CB-O 3.43Å; T60-R65 PolarHBondContact N-O 2.66Å; T60-R65 PolarHBondContact OG1-NE 3.08Å; T60-R65 PolarHBondContact OG1-NH2 2.76Å; T60-R65 PolarHBondContact OG1-O 2.99Å; T60-Q67 HydrophobicContact CG2-CB 3.56Å
61	G	79.1	Confident	83	Confident	55 Å²	55	39.9 Å²	39.9	57%	0.567	21%	0.212	S	C	*	.	S	Bend	trans	77	5	177.4	0	0	0	0	0	115.8	Y59	Y59-G61 VanDerWaalsContact C-N 3.34Å; Y59-G61 VanDerWaalsContact CZ-CA 3.48Å
62	M	78.8	Confident	83.5	Confident	118 Å²	118	43.2 Å²	43.2	58%	0.581	23%	0.227	S	C	*	.	S	Bend	trans	-133.3	131.2	178.1	-47.3	-179.1	-155.1	0	0	110.9	T60 R65	T60-M62 VanDerWaalsContact C-N 3.29Å; T60-M62 PolarHBondContact O-N 3.17Å; M62-R65 WeakPolarHBondContact O-CB 3.17Å; M62-R65 PolarHBondContact O-N 3.07Å; M62-R65 VanDerWaalsContact O-N 3.16Å; M62-R65 PolarHBondContact SD-NH2 3.35Å
63	G	83	Confident	83.9	Confident	53 Å²	53	44.8 Å²	44.8	55%	0.546	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-143.7	176.9	0	0	0	0	0	112.7	P43 Y59 R65	P43-G63 WeakPolarHBondContact CD-O 3.24Å; P43-G63 VanDerWaalsContact CG-O 3.25Å; P43-G63 WeakPolarHBondContact CG-O 3.16Å; Y59-G63 VanDerWaalsContact CE2-O 3.25Å; Y59-G63 WeakPolarHBondContact CE2-O 3.32Å; Y59-G63 PolarHBondContact OH-O 3.04Å; G63-R65 VanDerWaalsContact C-N 3.31Å
64	D	85.6	Confident	84.4	Confident	39 Å²	39	48 Å²	48	21%	0.209	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	15.9	167.9	70.6	-21.6	0	0	0	112.3	F42 P43 G77 W78	F42-D64 HydrophobicContact CE2-CB 4.27Å; F42-D64 WeakPolarHBondContact CE2-O 3.36Å; F42-D64 HydrophobicContact CZ-CB 4.17Å; P43-D64 HydrophobicContact CG-CB 4.17Å; D64-G77 PolarHBondContact OD1-N 3.15Å; D64-G77 VanDerWaalsContact OD1-N 3.11Å; D64-G77 WeakPolarHBondContact OD2-CA 3.28Å; D64-G77 PolarHBondContact OD2-N 3.33Å; D64-W78 PolarHBondContact O-NE1 3.3Å; D64-W78 VanDerWaalsContact OD2-CD1 3.28Å; D64-W78 PolarHBondContact OD2-N 3.37Å
65	R	87.1	Confident	85	Confident	63 Å²	63	43.9 Å²	43.9	24%	0.238	24%	0.243	C	C	.	.			trans	-80	124.7	-170.7	-169.9	-172.4	63	-130.1	-6	112.8	Y59 T60 M62 G63 A75 E76	Y59-R65 WeakPolarHBondContact CD2-O 3.42Å; T60-R65 WeakPolarHBondContact CB-O 3.43Å; T60-R65 PolarHBondContact N-O 2.66Å; T60-R65 PolarHBondContact OG1-NE 3.08Å; T60-R65 PolarHBondContact OG1-NH2 2.76Å; T60-R65 PolarHBondContact OG1-O 2.99Å; M62-R65 WeakPolarHBondContact O-CB 3.17Å; M62-R65 PolarHBondContact O-N 3.07Å; M62-R65 VanDerWaalsContact O-N 3.16Å; M62-R65 PolarHBondContact SD-NH2 3.35Å; G63-R65 VanDerWaalsContact C-N 3.31Å; R65-A75 WeakPolarHBondContact CA-O 3.47Å; R65-E76 HydrophobicContact CB-CB 3.92Å; R65-E76 WeakPolarHBondContact CD-OE2 3.46Å; R65-E76 HydrophobicContact CG-CB 4.04Å; R65-E76 WeakPolarHBondContact CG-OE2 3.39Å
66	V	89.4	Confident	85.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	160.7	178.5	-58.6	0	0	0	0	111.9	F39 F42 L52 W57 F58 T74 A75 W78	F39-V66 HydrophobicContact CE1-CG1 3.52Å; F39-V66 HydrophobicContact CZ-CG1 3.84Å; F42-V66 HydrophobicContact CE2-CG1 3.89Å; F42-V66 HydrophobicContact CZ-CG1 4.31Å; L52-V66 HydrophobicContact CD1-CG1 4.37Å; L52-V66 HydrophobicContact CD2-CG1 4.49Å; L52-V66 HydrophobicContact CD2-CG2 4.23Å; W57-V66 HydrophobicContact CB-CB 3.92Å; W57-V66 HydrophobicContact CB-CG2 3.8Å; W57-V66 HydrophobicContact CD2-CG2 3.68Å; W57-V66 HydrophobicContact CE3-CB 4.31Å; W57-V66 HydrophobicContact CE3-CG2 3.56Å; W57-V66 HydrophobicContact CG-CB 4.47Å; W57-V66 HydrophobicContact CG-CG2 3.82Å; W57-V66 HydrophobicContact CZ3-CG2 4.27Å; F58-V66 CarbonylContact O-C 3.56Å; F58-V66 WeakPolarHBondContact O-CA 3.46Å; F58-V66 WeakPolarHBondContact O-CB 3.18Å; V66-T74 CarbonylContact O-C 3.56Å; V66-T74 VanDerWaalsContact O-CA 3.25Å; V66-T74 WeakPolarHBondContact O-CA 3.34Å; V66-A75 HydrophobicContact CG2-CB 4.22Å; V66-A75 WeakPolarHBondContact CG2-O 3.45Å; V66-A75 PolarHBondContact N-O 3.49Å; V66-A75 PolarHBondContact O-N 2.58Å; V66-W78 HydrophobicContact CG2-CZ2 3.64Å
67	Q	88.7	Confident	85.7	Confident	51 Å²	51	51.6 Å²	51.6	24%	0.238	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.9	-179.5	-179.9	175.7	-25.2	0	0	111	W57 F58 T60 N72 V73 T74	W57-Q67 CarbonylContact C-O 3.58Å; W57-Q67 WeakPolarHBondContact CA-O 3.46Å; F58-Q67 HydrophobicContact CD1-CB 4.38Å; F58-Q67 WeakPolarHBondContact CD1-O 3.31Å; F58-Q67 HydrophobicContact CE1-CB 3.81Å; F58-Q67 HydrophobicContact CE1-CG 3.82Å; F58-Q67 WeakPolarHBondContact CE1-O 3.4Å; F58-Q67 HydrophobicContact CE2-CB 4.26Å; F58-Q67 HydrophobicContact CZ-CB 3.74Å; F58-Q67 HydrophobicContact CZ-CG 3.83Å; F58-Q67 PolarHBondContact N-O 2.91Å; F58-Q67 PolarHBondContact O-N 3.24Å; T60-Q67 HydrophobicContact CG2-CB 3.56Å; Q67-N72 PolarHBondContact NE2-OD1 2.69Å; Q67-V73 CarbonylContact C-O 3.57Å; Q67-V73 WeakPolarHBondContact CA-O 3.42Å; Q67-T74 HydrophobicContact CB-CG2 4.06Å; Q67-T74 HydrophobicContact CG-CG2 4.13Å
68	C	89.9	Confident	85.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.1	174.7	173.7	0	0	0	0	111.5	G56 W57 R70 C71 N72 V73 H88	G56-C68 WeakPolarHBondContact O-CA 3.39Å; W57-C68 HydrophobicContact CE3-CB 4.33Å; W57-C68 HydrophobicContact CZ3-CB 4.44Å; C68-R70 PolarHBondContact O-N 3.12Å; C68-R70 PolarHBondContact SG-N 3.06Å; C68-C71 VanDerWaalsContact CB-SG 3.51Å; C68-C71 PolarHBondContact SG-N 3.4Å; C68-C71 VanDerWaalsContact SG-N 3.4Å; C68-C71 PolarHBondContact SG-SG 3.38Å; C68-N72 VanDerWaalsContact O-CA 3.3Å; C68-N72 WeakPolarHBondContact O-CA 3.29Å; C68-N72 PolarHBondContact O-N 2.85Å; C68-N72 VanDerWaalsContact O-N 3.1Å; C68-N72 PolarHBondContact O-OD1 3.25Å; C68-V73 HydrophobicContact CB-CG1 4.03Å; C68-V73 PolarHBondContact N-O 2.85Å; C68-H88 PolarHBondContact SG-CE1 3.24Å; C68-H88 PolarHBondContact SG-NE2 3.5Å; C68-H88 VanDerWaalsContact SG-NE2 3.38Å
69	F	83.2	Confident	85.6	Confident	39 Å²	39	57.4 Å²	57.4	17%	0.171	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.1	176.3	82.8	-90.1	0	0	0	115.5	N29 G56 F58 F97	N29-F69 HydrophobicContact CB-CB 3.47Å; N29-F69 VanDerWaalsContact CB-CB 3.47Å; N29-F69 HydrophobicContact CB-CG 4.37Å; N29-F69 WeakPolarHBondContact O-CB 3.31Å; N29-F69 VanDerWaalsContact O-CG 3.3Å; N29-F69 WeakPolarHBondContact O-CG 3.46Å; G56-F69 WeakPolarHBondContact O-CD1 3.33Å; G56-F69 PolarHBondContact O-N 2.96Å; G56-F69 VanDerWaalsContact O-N 3.11Å; F58-F69 HydrophobicContact CD1-CB 4.39Å; F69-F97 HydrophobicContact CE1-CB 4.16Å; F69-F97 AromaticContact CE1-CD1 3.91Å; F69-F97 HydrophobicContact CE1-CD1 3.91Å; F69-F97 AromaticContact CE1-CD2 3.53Å; F69-F97 HydrophobicContact CE1-CD2 3.53Å; F69-F97 HydrophobicContact CE1-CE1 4.19Å; F69-F97 AromaticContact CE1-CE2 3.81Å; F69-F97 HydrophobicContact CE1-CE2 3.81Å; F69-F97 AromaticContact CE1-CG 3.57Å; F69-F97 HydrophobicContact CE1-CG 3.57Å; F69-F97 HydrophobicContact CE1-CZ 4.13Å; F69-F97 HydrophobicContact CZ-CB 4.1Å; F69-F97 AromaticContact CZ-CD2 3.49Å; F69-F97 HydrophobicContact CZ-CD2 3.49Å; F69-F97 VanDerWaalsContact CZ-CD2 3.49Å; F69-F97 HydrophobicContact CZ-CE2 4.03Å; F69-F97 AromaticContact CZ-CG 3.8Å; F69-F97 HydrophobicContact CZ-CG 3.8Å
70	R	80.3	Confident	85	Confident	159 Å²	159	60.2 Å²	60.2	60%	0.6	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-35.5	-167.8	-170.4	57.9	173.1	-170.4	1.2	114.4	C68 S96 F97	C68-R70 PolarHBondContact O-N 3.12Å; C68-R70 PolarHBondContact SG-N 3.06Å; R70-S96 PolarHBondContact NE-OG 3.39Å; R70-S96 VanDerWaalsContact NE-OG 3.15Å; R70-F97 HydrophobicContact CB-CB 4.08Å; R70-F97 HydrophobicContact CG-CB 4.18Å
71	C	83.9	Confident	84.4	Confident	39 Å²	39	62.5 Å²	62.5	26%	0.264	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-2.5	179.1	71.5	0	0	0	0	113.9	C68 V73 H88 S92 C95	C68-C71 VanDerWaalsContact CB-SG 3.51Å; C68-C71 PolarHBondContact SG-N 3.4Å; C68-C71 VanDerWaalsContact SG-N 3.4Å; C68-C71 PolarHBondContact SG-SG 3.38Å; C71-V73 PolarHBondContact O-N 3.4Å; C71-V73 WeakPolarHBondContact SG-CG1 3.39Å; C71-H88 PolarHBondContact SG-NE2 3.46Å; C71-H88 VanDerWaalsContact SG-NE2 3.44Å; C71-S92 PolarHBondContact SG-OG 2.85Å; C71-C95 HydrophobicContact CB-CB 3.88Å
72	N	86.1	Confident	84.3	Confident	103 Å²	103	62 Å²	62	55%	0.551	36%	0.362	S	S	*	.			trans	57.1	9.5	-178.7	-66.1	-45.6	0	0	0	116.6	Q67 C68	Q67-N72 PolarHBondContact NE2-OD1 2.69Å; C68-N72 VanDerWaalsContact O-CA 3.3Å; C68-N72 WeakPolarHBondContact O-CA 3.29Å; C68-N72 PolarHBondContact O-N 2.85Å; C68-N72 VanDerWaalsContact O-N 3.1Å; C68-N72 PolarHBondContact O-OD1 3.25Å
73	V	90.3	Very high	84.5	Confident	33 Å²	33	59.7 Å²	59.7	20%	0.2	36%	0.356	C	S	.	.			trans	-61.5	149	169.9	83.1	0	0	0	0	110.3	W57 Q67 C68 C71 L91	W57-V73 HydrophobicContact CH2-CG1 3.71Å; W57-V73 HydrophobicContact CZ3-CG1 3.81Å; W57-V73 WeakPolarHBondContact CZ3-O 3.27Å; Q67-V73 CarbonylContact C-O 3.57Å; Q67-V73 WeakPolarHBondContact CA-O 3.42Å; C68-V73 HydrophobicContact CB-CG1 4.03Å; C68-V73 PolarHBondContact N-O 2.85Å; C71-V73 PolarHBondContact O-N 3.4Å; C71-V73 WeakPolarHBondContact SG-CG1 3.39Å; V73-L91 HydrophobicContact CG1-CB 4.47Å; V73-L91 HydrophobicContact CG2-CB 3.95Å
74	T	91.6	Very high	84.5	Confident	69 Å²	69	57.5 Å²	57.5	42%	0.423	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.2	-179.6	49.6	0	0	0	0	111.8	V66 Q67	V66-T74 CarbonylContact O-C 3.56Å; V66-T74 VanDerWaalsContact O-CA 3.25Å; V66-T74 WeakPolarHBondContact O-CA 3.34Å; Q67-T74 HydrophobicContact CB-CG2 4.06Å; Q67-T74 HydrophobicContact CG-CG2 4.13Å
75	A	88.4	Confident	84.4	Confident	7 Å²	7	57.7 Å²	57.7	6%	0.058	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.3	174.2	0	0	0	0	0	111.4	W57 R65 V66 W78 L91	W57-A75 HydrophobicContact CE3-CB 4.44Å; W57-A75 HydrophobicContact CH2-CB 3.4Å; W57-A75 VanDerWaalsContact CH2-CB 3.4Å; W57-A75 HydrophobicContact CZ2-CB 3.86Å; W57-A75 HydrophobicContact CZ3-CB 3.73Å; R65-A75 WeakPolarHBondContact CA-O 3.47Å; V66-A75 HydrophobicContact CG2-CB 4.22Å; V66-A75 WeakPolarHBondContact CG2-O 3.45Å; V66-A75 PolarHBondContact N-O 3.49Å; V66-A75 PolarHBondContact O-N 2.58Å; A75-W78 HydrophobicContact CB-CH2 4.23Å; A75-W78 HydrophobicContact CB-CZ2 3.61Å; A75-L91 HydrophobicContact CB-CD1 3.88Å
76	E	90.8	Very high	84.2	Confident	117 Å²	117	57.9 Å²	57.9	55%	0.547	34%	0.339	S	S	.	.			trans	-149	174.8	-178.8	54.1	-170.7	-155.5	0	0	108.9	R65	R65-E76 HydrophobicContact CB-CB 3.92Å; R65-E76 WeakPolarHBondContact CD-OE2 3.46Å; R65-E76 HydrophobicContact CG-CB 4.04Å; R65-E76 WeakPolarHBondContact CG-OE2 3.39Å
77	G	84.8	Confident	83.9	Confident	46 Å²	46	60 Å²	60	47%	0.474	35%	0.348	S	S	.	.			trans	64.5	62.3	-179.1	0	0	0	0	0	112.1	D64 K87	D64-G77 PolarHBondContact OD1-N 3.15Å; D64-G77 VanDerWaalsContact OD1-N 3.11Å; D64-G77 WeakPolarHBondContact OD2-CA 3.28Å; D64-G77 PolarHBondContact OD2-N 3.33Å; G77-K87 PolarHBondContact O-NZ 2.89Å
78	W	85.9	Confident	83.9	Confident	14 Å²	14	57.5 Å²	57.5	5%	0.053	34%	0.336	C	S	.	.			trans	-84.9	136.2	-178.6	-63.7	96	0	0	0	113.1	P46 V47 L52 W57 D64 V66 A75 D82 P84 K87	P46-W78 WeakPolarHBondContact CG-O 3.2Å; V47-W78 HydrophobicContact CG1-CB 4.42Å; V47-W78 HydrophobicContact CG1-CE3 4.06Å; V47-W78 HydrophobicContact CG2-CB 3.55Å; V47-W78 HydrophobicContact CG2-CD2 3.78Å; V47-W78 HydrophobicContact CG2-CE3 3.92Å; V47-W78 HydrophobicContact CG2-CG 3.62Å; L52-W78 HydrophobicContact CD2-CD2 4.1Å; L52-W78 HydrophobicContact CD2-CE3 4.32Å; L52-W78 HydrophobicContact CD2-CH2 3.58Å; L52-W78 HydrophobicContact CD2-CZ2 3.33Å; L52-W78 HydrophobicContact CD2-CZ3 4.07Å; W57-W78 HydrophobicContact CZ2-CH2 4.44Å; D64-W78 PolarHBondContact O-NE1 3.3Å; D64-W78 VanDerWaalsContact OD2-CD1 3.28Å; D64-W78 PolarHBondContact OD2-N 3.37Å; V66-W78 HydrophobicContact CG2-CZ2 3.64Å; A75-W78 HydrophobicContact CB-CH2 4.23Å; A75-W78 HydrophobicContact CB-CZ2 3.61Å; W78-D82 WeakPolarHBondContact CA-OD2 3.44Å; W78-D82 HydrophobicContact CE3-CB 3.87Å; W78-D82 HydrophobicContact CZ3-CB 4.3Å; W78-P84 HydrophobicContact CH2-CB 3.9Å; W78-P84 HydrophobicContact CH2-CG 4.22Å; W78-P84 HydrophobicContact CZ3-CB 3.93Å; W78-P84 HydrophobicContact CZ3-CG 3.81Å; W78-K87 HydrophobicContact CD2-CD 4.45Å; W78-K87 HydrophobicContact CE3-CD 3.72Å; W78-K87 HydrophobicContact CH2-CB 4.23Å; W78-K87 HydrophobicContact CH2-CD 3.63Å; W78-K87 HydrophobicContact CH2-CG 4.42Å; W78-K87 HydrophobicContact CZ2-CD 4.34Å; W78-K87 HydrophobicContact CZ3-CB 4.12Å; W78-K87 HydrophobicContact CZ3-CD 3.27Å; W78-K87 HydrophobicContact CZ3-CG 4.29Å
79	Q	82.6	Confident	83.7	Confident	138 Å²	138	59.9 Å²	59.9	65%	0.645	35%	0.345	S	S	*	.			trans	-117.1	160.7	-178.2	-67	-174.5	65.6	0	0	112.9	P46 G81 D82	P46-Q79 VanDerWaalsContact CG-C 3.49Å; Q79-G81 PolarHBondContact O-N 2.6Å; Q79-D82 PolarHBondContact N-OD2 2.93Å; Q79-D82 WeakPolarHBondContact O-CB 3.36Å; Q79-D82 PolarHBondContact O-N 2.98Å; Q79-D82 VanDerWaalsContact O-N 3.07Å
80	A	71.1	Confident	83.8	Confident	90 Å²	90	64.6 Å²	64.6	74%	0.744	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	116.3	177.8	0	0	0	0	0	110.8	P46	P46-A80 HydrophobicContact CB-CB 3.94Å
81	G	71.9	Confident	84.1	Confident	79 Å²	79	61.1 Å²	61.1	81%	0.814	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-4.5	-173.2	0	0	0	0	0	114.8	Q79 C83	Q79-G81 PolarHBondContact O-N 2.6Å; G81-C83 PolarHBondContact O-N 3.31Å
82	D	78	Confident	84.1	Confident	46 Å²	46	60 Å²	60	25%	0.246	35%	0.353	C	S	.	.			trans	-57.4	133.9	170.1	-87.3	-3.6	0	0	0	110.5	V47 W78 Q79 P84 K87	V47-D82 HydrophobicContact CG1-CB 3.77Å; W78-D82 WeakPolarHBondContact CA-OD2 3.44Å; W78-D82 HydrophobicContact CE3-CB 3.87Å; W78-D82 HydrophobicContact CZ3-CB 4.3Å; Q79-D82 PolarHBondContact N-OD2 2.93Å; Q79-D82 WeakPolarHBondContact O-CB 3.36Å; Q79-D82 PolarHBondContact O-N 2.98Å; Q79-D82 VanDerWaalsContact O-N 3.07Å; D82-P84 WeakPolarHBondContact O-CD 3.37Å; D82-K87 IonicContact OD2-NZ 2.69Å; D82-K87 PolarHBondContact OD2-NZ 3.15Å
83	C	81.7	Confident	83.9	Confident	68 Å²	68	59.1 Å²	59.1	46%	0.459	35%	0.353	S	S	.	.			trans	-99.4	108.5	170.4	-177.5	0	0	0	0	109.8	G81 T85 E86 K87	G81-C83 PolarHBondContact O-N 3.31Å; C83-T85 PolarHBondContact O-N 3.22Å; C83-E86 HydrophobicContact CB-CB 4.05Å; C83-E86 PolarHBondContact O-N 3.25Å; C83-E86 VanDerWaalsContact O-N 3.08Å; C83-K87 PolarHBondContact O-N 3.01Å
84	P	84.3	Confident	83.6	Confident	7 Å²	7	61.9 Å²	61.9	5%	0.045	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-29.7	-177.2	-29.6	38.8	0	0	0	115.1	L52 A55 W57 W78 D82 H88	L52-P84 HydrophobicContact CD2-CB 3.98Å; L52-P84 HydrophobicContact CD2-CG 3.91Å; L52-P84 HydrophobicContact CG-CG 4.3Å; A55-P84 VanDerWaalsContact CB-C 3.41Å; A55-P84 HydrophobicContact CB-CB 3.66Å; W57-P84 PolarHBondContact NE1-O 3.25Å; W78-P84 HydrophobicContact CH2-CB 3.9Å; W78-P84 HydrophobicContact CH2-CG 4.22Å; W78-P84 HydrophobicContact CZ3-CB 3.93Å; W78-P84 HydrophobicContact CZ3-CG 3.81Å; D82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-H88 VanDerWaalsContact O-CB 3.3Å; P84-H88 WeakPolarHBondContact O-CB 3.31Å; P84-H88 PolarHBondContact O-N 2.96Å; P84-H88 VanDerWaalsContact O-N 3.11Å
85	T	82.1	Confident	83.3	Confident	44 Å²	44	58.8 Å²	58.8	27%	0.27	36%	0.355	S	S	.	.	H	α-helix	trans	-68.2	-40.5	176.3	-47.5	0	0	0	0	111.1	C83 R89 I98 L101	C83-T85 PolarHBondContact O-N 3.22Å; T85-R89 WeakPolarHBondContact O-CB 3.41Å; T85-R89 PolarHBondContact O-N 3.46Å; T85-I98 HydrophobicContact CG2-CD1 4.11Å; T85-L101 HydrophobicContact CG2-CD1 4.4Å
86	E	82.6	Confident	82.9	Confident	67 Å²	67	61.2 Å²	61.2	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-81.8	-37	-177.5	-163	54	-147.4	0	0	111.7	C83 H88 R89 Q90	C83-E86 HydrophobicContact CB-CB 4.05Å; C83-E86 PolarHBondContact O-N 3.25Å; C83-E86 VanDerWaalsContact O-N 3.08Å; E86-H88 PolarHBondContact O-N 3.38Å; E86-R89 PolarHBondContact O-N 2.87Å; E86-R89 VanDerWaalsContact O-N 3.08Å; E86-R89 WeakPolarHBondContact OE2-CD 3.09Å; E86-R89 IonicContact OE2-NE 3.46Å; E86-R89 PolarHBondContact OE2-NE 3.11Å; E86-Q90 WeakPolarHBondContact O-CB 3.47Å; E86-Q90 VanDerWaalsContact O-CG 3.29Å; E86-Q90 WeakPolarHBondContact O-CG 3.47Å; E86-Q90 PolarHBondContact O-N 3.31Å
87	K	83.9	Confident	82.4	Confident	43 Å²	43	57.3 Å²	57.3	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-57.1	-39.1	169	-151.2	176	-168.5	174.3	0	110.3	G77 W78 D82 C83 L91	G77-K87 PolarHBondContact O-NZ 2.89Å; W78-K87 HydrophobicContact CD2-CD 4.45Å; W78-K87 HydrophobicContact CE3-CD 3.72Å; W78-K87 HydrophobicContact CH2-CB 4.23Å; W78-K87 HydrophobicContact CH2-CD 3.63Å; W78-K87 HydrophobicContact CH2-CG 4.42Å; W78-K87 HydrophobicContact CZ2-CD 4.34Å; W78-K87 HydrophobicContact CZ3-CB 4.12Å; W78-K87 HydrophobicContact CZ3-CD 3.27Å; W78-K87 HydrophobicContact CZ3-CG 4.29Å; D82-K87 IonicContact OD2-NZ 2.69Å; D82-K87 PolarHBondContact OD2-NZ 3.15Å; C83-K87 PolarHBondContact O-N 3.01Å; K87-L91 HydrophobicContact CG-CD1 4.3Å; K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 WeakPolarHBondContact O-CD1 3.44Å; K87-L91 WeakPolarHBondContact O-CG 3.4Å; K87-L91 PolarHBondContact O-N 3.23Å
88	H	88.1	Confident	82.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.3	-43.4	172.4	-163.3	169.3	0	0	0	112.5	A55 W57 C68 C71 P84 E86 Q90 L91 S92 C95 I98	A55-H88 PolarHBondContact O-CE1 3.47Å; A55-H88 PolarHBondContact O-ND1 3.36Å; W57-H88 AromaticContact CE2-CG 3.9Å; W57-H88 AromaticContact CE2-ND1 3.89Å; W57-H88 HydrophobicContact CH2-CB 4.33Å; W57-H88 HydrophobicContact CZ2-CB 3.42Å; W57-H88 VanDerWaalsContact CZ2-CB 3.42Å; W57-H88 AromaticContact CZ2-CG 3.66Å; C68-H88 PolarHBondContact SG-CE1 3.24Å; C68-H88 PolarHBondContact SG-NE2 3.5Å; C68-H88 VanDerWaalsContact SG-NE2 3.38Å; C71-H88 PolarHBondContact SG-NE2 3.46Å; C71-H88 VanDerWaalsContact SG-NE2 3.44Å; P84-H88 VanDerWaalsContact O-CB 3.3Å; P84-H88 WeakPolarHBondContact O-CB 3.31Å; P84-H88 PolarHBondContact O-N 2.96Å; P84-H88 VanDerWaalsContact O-N 3.11Å; E86-H88 PolarHBondContact O-N 3.38Å; H88-Q90 PolarHBondContact O-N 3.25Å; H88-L91 PolarHBondContact O-N 3Å; H88-S92 PolarHBondContact O-N 2.99Å; H88-C95 PolarHBondContact NE2-SG 3.32Å; H88-I98 HydrophobicContact CB-CD1 3.87Å; H88-I98 HydrophobicContact CB-CG1 3.99Å; H88-I98 VanDerWaalsContact CE1-CG1 3.45Å; H88-I98 WeakPolarHBondContact CE1-CG1 3.04Å; H88-I98 VanDerWaalsContact CG-CG1 3.45Å; H88-I98 WeakPolarHBondContact ND1-CD1 3.18Å; H88-I98 WeakPolarHBondContact ND1-CG1 3.43Å
89	R	86.1	Confident	81.9	Confident	49 Å²	49	60.3 Å²	60.3	19%	0.185	36%	0.355	C	S	.	.	H	α-helix	trans	-59.7	-34.7	176.9	-165.3	179.2	-62.9	-82	1.9	112.5	T85 E86 P93 I98 L101	T85-R89 WeakPolarHBondContact O-CB 3.41Å; T85-R89 PolarHBondContact O-N 3.46Å; E86-R89 PolarHBondContact O-N 2.87Å; E86-R89 VanDerWaalsContact O-N 3.08Å; E86-R89 WeakPolarHBondContact OE2-CD 3.09Å; E86-R89 IonicContact OE2-NE 3.46Å; E86-R89 PolarHBondContact OE2-NE 3.11Å; R89-P93 WeakPolarHBondContact O-CA 3.48Å; R89-P93 WeakPolarHBondContact O-CB 3.37Å; R89-P93 WeakPolarHBondContact O-CD 3.3Å; R89-I98 HydrophobicContact CB-CG2 3.75Å; R89-I98 HydrophobicContact CG-CG2 3.84Å; R89-I98 PolarHBondContact NH1-O 3Å; R89-I98 PolarHBondContact NH2-O 3.09Å; R89-L101 PolarHBondContact NH2-O 2.78Å
90	Q	86.5	Confident	81.3	Confident	139 Å²	139	57.9 Å²	57.9	65%	0.65	35%	0.354	S	S	*	.	H	α-helix	trans	-74	-43.9	174.4	-68	169.2	10.9	0	0	112.4	E86 H88	E86-Q90 WeakPolarHBondContact O-CB 3.47Å; E86-Q90 VanDerWaalsContact O-CG 3.29Å; E86-Q90 WeakPolarHBondContact O-CG 3.47Å; E86-Q90 PolarHBondContact O-N 3.31Å; H88-Q90 PolarHBondContact O-N 3.25Å
91	L	85.6	Confident	81.1	Confident	86 Å²	86	56 Å²	56	45%	0.45	33%	0.331	S	S	.	.	H	α-helix	trans	-75.6	-26.9	-178.9	-69.7	169.4	0	0	0	113.8	W57 V73 A75 K87 H88	W57-L91 HydrophobicContact CH2-CD1 4.05Å; V73-L91 HydrophobicContact CG1-CB 4.47Å; V73-L91 HydrophobicContact CG2-CB 3.95Å; A75-L91 HydrophobicContact CB-CD1 3.88Å; K87-L91 HydrophobicContact CG-CD1 4.3Å; K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 WeakPolarHBondContact O-CD1 3.44Å; K87-L91 WeakPolarHBondContact O-CG 3.4Å; K87-L91 PolarHBondContact O-N 3.23Å; H88-L91 PolarHBondContact O-N 3Å
92	S	83.4	Confident	80.3	Confident	14 Å²	14	57.7 Å²	57.7	10%	0.098	33%	0.327	C	S	.	.			trans	-151.1	75.7	177.9	-163.4	0	0	0	0	112.2	C71 H88 S94 C95	C71-S92 PolarHBondContact SG-OG 2.85Å; H88-S92 PolarHBondContact O-N 2.99Å; S92-S94 PolarHBondContact O-N 2.94Å; S92-C95 WeakPolarHBondContact O-CB 3.16Å; S92-C95 PolarHBondContact O-N 3.24Å
93	P	82.9	Confident	78.9	Confident	85 Å²	85	57.8 Å²	57.8	55%	0.552	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.7	178	26.1	-34.6	0	0	0	113.5	R89 Q99	R89-P93 WeakPolarHBondContact O-CA 3.48Å; R89-P93 WeakPolarHBondContact O-CB 3.37Å; R89-P93 WeakPolarHBondContact O-CD 3.3Å; P93-Q99 PolarHBondContact O-NE2 2.95Å
94	S	83.6	Confident	77.1	Confident	92 Å²	92	59.4 Å²	59.4	64%	0.643	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-2	173.8	51.3	0	0	0	0	114.1	S92 S96	S92-S94 PolarHBondContact O-N 2.94Å; S94-S96 PolarHBondContact O-N 3.07Å
95	C	85.6	Confident	75.1	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.02	37%	0.367	C	S	.	.			trans	-67.9	113.7	179.9	179.3	0	0	0	0	111.4	C71 H88 S92 F97 I98 Q99	C71-C95 HydrophobicContact CB-CB 3.88Å; H88-C95 PolarHBondContact NE2-SG 3.32Å; S92-C95 WeakPolarHBondContact O-CB 3.16Å; S92-C95 PolarHBondContact O-N 3.24Å; C95-F97 PolarHBondContact O-N 2.83Å; C95-I98 HydrophobicContact CB-CB 4.25Å; C95-I98 HydrophobicContact CB-CG1 4.37Å; C95-I98 PolarHBondContact O-N 3.32Å; C95-Q99 WeakPolarHBondContact O-CG 3.47Å; C95-Q99 PolarHBondContact O-N 2.88Å
96	S	80	Confident	72.8	Confident	58 Å²	58	67.3 Å²	67.3	41%	0.406	38%	0.384	S	S	.	.	H	α-helix	trans	-56.4	-28	-177.5	74.9	0	0	0	0	113.6	R70 S94 S100	R70-S96 PolarHBondContact NE-OG 3.39Å; R70-S96 VanDerWaalsContact NE-OG 3.15Å; S94-S96 PolarHBondContact O-N 3.07Å; S96-S100 PolarHBondContact O-N 3.09Å
97	F	80.4	Confident	70.6	Confident	36 Å²	36	70.6 Å²	70.6	16%	0.158	40%	0.402	C	S	.	.	H	α-helix	trans	-71.8	-47.6	175.5	176.2	-100.3	0	0	0	112.2	R54 G56 F69 R70 C95 Q99 S100 L101	R54-F97 WeakPolarHBondContact O-CZ 3.34Å; G56-F97 VanDerWaalsContact CA-CE1 3.4Å; F69-F97 HydrophobicContact CE1-CB 4.16Å; F69-F97 AromaticContact CE1-CD1 3.91Å; F69-F97 HydrophobicContact CE1-CD1 3.91Å; F69-F97 AromaticContact CE1-CD2 3.53Å; F69-F97 HydrophobicContact CE1-CD2 3.53Å; F69-F97 HydrophobicContact CE1-CE1 4.19Å; F69-F97 AromaticContact CE1-CE2 3.81Å; F69-F97 HydrophobicContact CE1-CE2 3.81Å; F69-F97 AromaticContact CE1-CG 3.57Å; F69-F97 HydrophobicContact CE1-CG 3.57Å; F69-F97 HydrophobicContact CE1-CZ 4.13Å; F69-F97 HydrophobicContact CZ-CB 4.1Å; F69-F97 AromaticContact CZ-CD2 3.49Å; F69-F97 HydrophobicContact CZ-CD2 3.49Å; F69-F97 VanDerWaalsContact CZ-CD2 3.49Å; F69-F97 HydrophobicContact CZ-CE2 4.03Å; F69-F97 AromaticContact CZ-CG 3.8Å; F69-F97 HydrophobicContact CZ-CG 3.8Å; R70-F97 HydrophobicContact CB-CB 4.08Å; R70-F97 HydrophobicContact CG-CB 4.18Å; C95-F97 PolarHBondContact O-N 2.83Å; F97-Q99 VanDerWaalsContact C-N 3.27Å; F97-Q99 PolarHBondContact O-N 3.38Å; F97-S100 PolarHBondContact O-N 2.99Å; F97-S100 VanDerWaalsContact O-N 3.11Å; F97-S100 PolarHBondContact O-OG 3.36Å; F97-L101 HydrophobicContact CD1-CD1 4.03Å; F97-L101 HydrophobicContact CE1-CD1 3.43Å; F97-L101 VanDerWaalsContact CE1-CD1 3.43Å; F97-L101 HydrophobicContact CE1-CG 4.48Å; F97-L101 HydrophobicContact CZ-CD1 3.76Å; F97-L101 HydrophobicContact CZ-CG 4.49Å; F97-L101 PolarHBondContact O-N 3.18Å
98	I	81.2	Confident	68.4	Low	0 Å²	0	75.7 Å²	75.7	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-67.3	-29.4	176.2	-69.2	-60.7	0	0	0	112.1	T85 H88 R89 C95 S100 L101	T85-I98 HydrophobicContact CG2-CD1 4.11Å; H88-I98 HydrophobicContact CB-CD1 3.87Å; H88-I98 HydrophobicContact CB-CG1 3.99Å; H88-I98 VanDerWaalsContact CE1-CG1 3.45Å; H88-I98 WeakPolarHBondContact CE1-CG1 3.04Å; H88-I98 VanDerWaalsContact CG-CG1 3.45Å; H88-I98 WeakPolarHBondContact ND1-CD1 3.18Å; H88-I98 WeakPolarHBondContact ND1-CG1 3.43Å; R89-I98 HydrophobicContact CB-CG2 3.75Å; R89-I98 HydrophobicContact CG-CG2 3.84Å; R89-I98 PolarHBondContact NH1-O 3Å; R89-I98 PolarHBondContact NH2-O 3.09Å; C95-I98 HydrophobicContact CB-CB 4.25Å; C95-I98 HydrophobicContact CB-CG1 4.37Å; C95-I98 PolarHBondContact O-N 3.32Å; I98-S100 VanDerWaalsContact C-N 3.33Å; I98-L101 HydrophobicContact CD1-CD1 3.96Å; I98-L101 PolarHBondContact O-N 3.45Å
99	Q	77.8	Confident	65.6	Low	123 Å²	123	80.4 Å²	80.4	58%	0.575	46%	0.464	S	S	*	.	H	α-helix	trans	-67.6	-32	171.8	-68.9	178.2	-7.2	0	0	112.6	P93 C95 F97 L101	P93-Q99 PolarHBondContact O-NE2 2.95Å; C95-Q99 WeakPolarHBondContact O-CG 3.47Å; C95-Q99 PolarHBondContact O-N 2.88Å; F97-Q99 VanDerWaalsContact C-N 3.27Å; F97-Q99 PolarHBondContact O-N 3.38Å; Q99-L101 VanDerWaalsContact C-N 3.32Å
100	S	70.6	Confident	62.9	Low	87 Å²	87	82.9 Å²	82.9	61%	0.608	49%	0.489	S	S	*	.	H	α-helix	trans	-76	-16.1	173.1	72.9	0	0	0	0	114.2	S96 F97 I98	S96-S100 PolarHBondContact O-N 3.09Å; F97-S100 PolarHBondContact O-N 2.99Å; F97-S100 VanDerWaalsContact O-N 3.11Å; F97-S100 PolarHBondContact O-OG 3.36Å; I98-S100 VanDerWaalsContact C-N 3.33Å
101	L	66.4	Low	60.4	Low	50 Å²	50	80.6 Å²	80.6	26%	0.262	49%	0.488	S	S	.	.	S	Bend	trans	-86.7	123.7	177.1	-80.9	165.7	0	0	0	110.9	T85 R89 F97 I98 Q99 S103	T85-L101 HydrophobicContact CG2-CD1 4.4Å; R89-L101 PolarHBondContact NH2-O 2.78Å; F97-L101 HydrophobicContact CD1-CD1 4.03Å; F97-L101 HydrophobicContact CE1-CD1 3.43Å; F97-L101 VanDerWaalsContact CE1-CD1 3.43Å; F97-L101 HydrophobicContact CE1-CG 4.48Å; F97-L101 HydrophobicContact CZ-CD1 3.76Å; F97-L101 HydrophobicContact CZ-CG 4.49Å; F97-L101 PolarHBondContact O-N 3.18Å; I98-L101 HydrophobicContact CD1-CD1 3.96Å; I98-L101 PolarHBondContact O-N 3.45Å; Q99-L101 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.28Å
102	P	55.6	Low	57.8	Low	114 Å²	114	85.2 Å²	85.2	74%	0.74	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-61.6	131.6	-173	24.6	-34.2	0	0	0	111.8	T104	P102-T104 PolarHBondContact O-N 2.89Å
103	S	48.5	Very low	55.4	Low	48 Å²	48	88.4 Å²	88.4	34%	0.336	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-65	126.6	176.5	-57.5	0	0	0	0	110.8	L101 T105 N106	L101-S103 PolarHBondContact O-N 3.28Å; S103-T105 WeakPolarHBondContact CB-OG1 3.38Å; S103-T105 PolarHBondContact O-N 3.47Å; S103-N106 PolarHBondContact O-N 2.91Å; S103-N106 VanDerWaalsContact O-N 3.12Å
104	T	44.4	Very low	52.9	Low	103 Å²	103	89.2 Å²	89.2	63%	0.632	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-60.5	-19	-178.8	43.8	0	0	0	0	113.6	P102 N106 L107	P102-T104 PolarHBondContact O-N 2.89Å; T104-N106 PolarHBondContact O-N 2.66Å; T104-L107 PolarHBondContact O-N 3.06Å
105	T	41.1	Very low	50.6	Low	101 Å²	101	92.9 Å²	92.9	62%	0.62	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-57.4	-29.3	172.7	54.6	0	0	0	0	114	S103	S103-T105 WeakPolarHBondContact CB-OG1 3.38Å; S103-T105 PolarHBondContact O-N 3.47Å
106	N	33.9	Very low	47.8	Very low	116 Å²	116	97.1 Å²	97.1	62%	0.62	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-92.5	-4.7	-173.1	-70.8	5.6	0	0	0	114.1	S103 T104 L108 S109	S103-N106 PolarHBondContact O-N 2.91Å; S103-N106 VanDerWaalsContact O-N 3.12Å; T104-N106 PolarHBondContact O-N 2.66Å; N106-L108 PolarHBondContact O-N 3.14Å; N106-L108 VanDerWaalsContact O-N 3.16Å; N106-S109 PolarHBondContact O-N 2.81Å
107	L	37.1	Very low	45.4	Very low	135 Å²	135	100.2 Å²	100.2	71%	0.707	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-70.1	-6.1	176	-73	169.9	0	0	0	113.6	T104	T104-L107 PolarHBondContact O-N 3.06Å
108	L	38.4	Very low	42.9	Very low	151 Å²	151	106.6 Å²	106.6	79%	0.791	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-91.5	9.4	174.4	-64.9	174.7	0	0	0	114.2	N106	N106-L108 PolarHBondContact O-N 3.14Å; N106-L108 VanDerWaalsContact O-N 3.16Å
109	S	28.4	Very low	40.4	Very low	98 Å²	98	118.5 Å²	118.5	69%	0.685	68%	0.676	S	S	*	*	S	Bend	trans	-139.4	4.4	179	-67.5	0	0	0	0	116.3	N106 S111	N106-S109 PolarHBondContact O-N 2.81Å; S109-S111 VanDerWaalsContact C-N 3.34Å
110	S	29.6	Very low	37.9	Very low	102 Å²	102	120.6 Å²	120.6	71%	0.713	69%	0.689	S	S	*	*			trans	-97.1	30.7	171.6	-59.2	0	0	0	0	112.9	H112	S110-H112 PolarHBondContact O-N 3.13Å; S110-H112 VanDerWaalsContact O-N 3.08Å
111	S	33.5	Very low	35.7	Very low	90 Å²	90	120.6 Å²	120.6	63%	0.629	70%	0.695	S	S	*	*			trans	-83.6	37.6	-176.2	-50	0	0	0	0	113.7	S109 S113	S109-S111 VanDerWaalsContact C-N 3.34Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 3.1Å
112	H	31.4	Very low	34.4	Very low	184 Å²	184	124.5 Å²	124.5	85%	0.852	72%	0.723	S	S	*	*			trans	-84.2	74.1	177.8	-81.8	-74.7	0	0	0	111.7	S110	S110-H112 PolarHBondContact O-N 3.13Å; S110-H112 VanDerWaalsContact O-N 3.08Å
113	S	33.9	Very low	32.9	Very low	80 Å²	80	123.9 Å²	123.9	56%	0.559	73%	0.728	S	S	*	*			trans	-64.1	141.9	166.8	-59.9	0	0	0	0	111.2	S111 F115	S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 3.1Å; S113-F115 WeakPolarHBondContact CB-O 3.48Å; S113-F115 PolarHBondContact O-N 3.21Å; S113-F115 VanDerWaalsContact O-N 3.15Å
114	A	30.1	Very low	31.7	Very low	102 Å²	102	129.5 Å²	129.5	84%	0.843	75%	0.753	S	S	*	*	S	Bend	trans	-63.7	-13.5	168.6	0	0	0	0	0	113.4
115	F	33.6	Very low	31.2	Very low	170 Å²	170	129.3 Å²	129.3	75%	0.746	75%	0.753	S	S	*	*			trans	-129.8	121.7	172	-64.5	-82.1	0	0	0	110.5	S113	S113-F115 WeakPolarHBondContact CB-O 3.48Å; S113-F115 PolarHBondContact O-N 3.21Å; S113-F115 VanDerWaalsContact O-N 3.15Å
116	S	27.4	Very low	30.5	Very low	92 Å²	92	132.4 Å²	132.4	64%	0.643	77%	0.765	S	S	*	*			trans	-156.1	145.3	163.5	-79.6	0	0	0	0	109.9
117	P	30.1	Very low	30.5	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-77.7	145.8	-171.2	-10.2	27.4	0	0	0	112.3	R119	P117-R119 PolarHBondContact O-N 3.2Å
118	L	26.9	Very low	29.9	Very low	171 Å²	171	129.4 Å²	129.4	90%	0.895	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-63.1	123.4	171.5	-68.5	172.8	0	0	0	110.4
119	R	28.6	Very low	29.7	Very low	249 Å²	249	128.6 Å²	128.6	94%	0.94	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.4	123.9	170.9	-68.7	-175.5	178.6	-179.5	0.7	109.6	P117	P117-R119 PolarHBondContact O-N 3.2Å
120	I	27.1	Very low	29.7	Very low	167 Å²	167	127.5 Å²	127.5	86%	0.856	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-80.7	135.8	171	-60.2	174.9	0	0	0	109.1
121	A	24.6	Very low	30.4	Very low	88 Å²	88	129 Å²	129	73%	0.727	79%	0.789	S	S	*	*			trans	-119.6	153.6	170.3	0	0	0	0	0	110
122	P	38.9	Very low	30.1	Very low	131 Å²	131	129.3 Å²	129.3	85%	0.851	80%	0.797	S	S	*	*			trans	-99.1	149.6	-155.2	36.6	-36	0	0	0	115.9
123	A	24.4	Very low	30.1	Very low	102 Å²	102	125.1 Å²	125.1	84%	0.843	79%	0.793	S	S	*	*			trans	-154.7	161.1	159.7	0	0	0	0	0	112.1
124	L	23.3	Very low	30.3	Very low	165 Å²	165	127.3 Å²	127.3	86%	0.864	81%	0.806	S	S	*	*			trans	-120.1	-177.7	-179	-78.6	165.9	0	0	0	108.8
125	P	33.1	Very low	30	Very low	99 Å²	99	129.8 Å²	129.8	64%	0.643	81%	0.805	S	S	*	*			cis	-138.7	161.5	-33.4	33	-14.8	0	0	0	115.9
126	L	25.3	Very low	30.3	Very low	166 Å²	166	127 Å²	127	87%	0.869	80%	0.804	S	S	*	*			trans	61.7	177.5	148.5	-75.5	167.8	0	0	0	118.3
127	P	33.8	Very low	30.2	Very low	119 Å²	119	127.4 Å²	127.4	77%	0.773	81%	0.807	S	S	*	*			cis	-132	143.4	-1	37.4	-19	0	0	0	118.7
128	G	25.3	Very low	30.1	Very low	70 Å²	70	128.4 Å²	128.4	72%	0.722	81%	0.81	S	S	*	*			trans	63.4	-179.4	143.5	0	0	0	0	0	121
129	P	35	Very low	30	Very low	133 Å²	133	125.8 Å²	125.8	86%	0.864	81%	0.806	S	S	*	*			cis	-132.1	166.6	-4.7	41.6	-26.9	0	0	0	116.4
130	G	28.2	Very low	29.9	Very low	76 Å²	76	122.2 Å²	122.2	78%	0.784	80%	0.8	S	S	*	*			trans	102.1	131.1	142.1	0	0	0	0	0	119.8
131	P	43.3	Very low	29.9	Very low	134 Å²	134	119.5 Å²	119.5	87%	0.87	79%	0.791	S	S	*	*			trans	-131.7	158.6	-179.5	41.9	-28.4	0	0	0	117.3
132	A	28.2	Very low	30	Very low	96 Å²	96	123.9 Å²	123.9	79%	0.793	80%	0.797	S	S	*	*			trans	-171.1	131.1	152.1	0	0	0	0	0	109.3
133	A	31.8	Very low	29.4	Very low	95 Å²	95	125 Å²	125	79%	0.785	80%	0.795	S	S	*	*				93.1	162.3	66.7	0	0	0	0	0	112.2
134	P	36.7	Very low	30.1	Very low	126 Å²	126	126.2 Å²	126.2	82%	0.818	80%	0.795	S	S	*	*				-129.5	-177.5	-121.9	35.5	-14.4	0	0	0	118.4
135	N	25.5	Very low	30.3	Very low	155 Å²	155	125.2 Å²	125.2	83%	0.829	80%	0.795	S	S	*	*			trans	-40.1	162.8	163.1	-82.8	-10.9	0	0	0	115.2
136	P	39.2	Very low	29.9	Very low	110 Å²	110	123.8 Å²	123.8	71%	0.714	80%	0.798	S	S	*	*			cis	-156	159.7	38.4	43.9	-22.3	0	0	0	122.3
137	S	25.9	Very low	30	Very low	102 Å²	102	125.2 Å²	125.2	71%	0.713	80%	0.798	S	S	*	*			trans	66.5	152.9	132.5	69.2	0	0	0	0	126.2
138	V	26.8	Very low	29.5	Very low	142 Å²	142	126.7 Å²	126.7	86%	0.861	80%	0.798	S	S	*	*			trans	78.2	139.6	164.3	-159.2	0	0	0	0	114.1
139	S	25.2	Very low	29.4	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	80%	0.798	S	S	*	*			cis	-144.4	-161.4	34	66.7	0	0	0	0	116.7
140	Q	26.4	Very low	28.9	Very low	175 Å²	175	128.5 Å²	128.5	82%	0.818	79%	0.788	S	S	*	*			trans	-159.1	174.9	-163.9	-145.1	-178.2	-17.4	0	0	108.8
141	V	27.4	Very low	28.8	Very low	109 Å²	109	129 Å²	129	66%	0.661	79%	0.785	S	S	*	*			cis	-157.2	178.6	16.8	-149.1	0	0	0	0	110.8
142	E	26.2	Very low	27.9	Very low	181 Å²	181	131.8 Å²	131.8	85%	0.846	78%	0.784	S	S	*	*			trans	92.9	150.9	146.2	-82.7	174.2	-165.6	0	0	123.9
143	D	27.2	Very low	27.8	Very low	154 Å²	154	132.5 Å²	132.5	82%	0.824	78%	0.783	S	S	*	*			trans	-104.1	-175.7	-165	-59.1	-73	0	0	0	115
144	P	38.1	Very low	27.4	Very low	128 Å²	128	133 Å²	133	83%	0.831	79%	0.787	S	S	*	*				-154.4	159	103.6	37	-16.8	0	0	0	121.1
145	V	28.1	Very low	26.8	Very low	144 Å²	144	135 Å²	135	87%	0.873	79%	0.79	S	S	*	*			trans	-38.8	162.7	176.6	-70.3	0	0	0	0	127.2
146	G	25.2	Very low	27.5	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	79%	0.785	S	S	*	*			trans	168.3	120.2	148.2	0	0	0	0	0	113.8
147	F	26.9	Very low	27.4	Very low	196 Å²	196	132.8 Å²	132.8	86%	0.86	78%	0.784	S	S	*	*				83.1	140	69.8	-85.1	-142.4	0	0	0	115
148	L	23.5	Very low	27.5	Very low	150 Å²	150	133.2 Å²	133.2	79%	0.785	79%	0.787	S	S	*	*			cis	-151.6	-139.2	0.9	-134.1	177	0	0	0	113.7
149	N	22.9	Very low	27.6	Very low	135 Å²	135	131.8 Å²	131.8	72%	0.722	78%	0.784	S	S	*	*			trans	-156.3	179.9	-167.1	-154.3	7.3	0	0	0	111.5
150	T	24.1	Very low	28.2	Very low	107 Å²	107	131.7 Å²	131.7	66%	0.656	78%	0.78	S	S	*	*			cis	-170.4	179.8	21.8	-27.7	0	0	0	0	113.2
151	A	25.5	Very low	28.1	Very low	87 Å²	87	131.2 Å²	131.2	72%	0.719	78%	0.782	S	S	*	*			trans	84.3	156.2	150.6	0	0	0	0	0	121.2
152	F	25.5	Very low	28.1	Very low	191 Å²	191	131.1 Å²	131.1	84%	0.838	79%	0.786	S	S	*	*			cis	-170	162.6	-26.5	-122.5	-75.4	0	0	0	114.2
153	S	25.1	Very low	28.4	Very low	111 Å²	111	127.3 Å²	127.3	78%	0.776	78%	0.78	S	S	*	*			trans	92.2	141	143.9	-67.3	0	0	0	0	127.1
154	A	24.1	Very low	28.5	Very low	105 Å²	105	131.9 Å²	131.9	87%	0.868	79%	0.785	S	S	*	*			trans	106.7	153.7	151.5	0	0	0	0	0	122.9
155	L	23.2	Very low	28.4	Very low	168 Å²	168	129.3 Å²	129.3	88%	0.88	78%	0.782	S	S	*	*			trans	-159.6	174.2	-171	-85.9	169.3	0	0	0	110.1
156	P	41.7	Very low	28.6	Very low	112 Å²	112	129.4 Å²	129.4	73%	0.727	78%	0.783	S	S	*	*			cis	-118.7	-159.2	-38	44.1	-27.9	0	0	0	110.2
157	P	37.1	Very low	29	Very low	107 Å²	107	134 Å²	134	70%	0.695	79%	0.786	S	S	*	*				-154.4	176.5	63.8	41.6	-18.7	0	0	0	118.8
158	S	26.9	Very low	29.3	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	78%	0.775	S	S	*	*			trans	51.8	124.8	150.8	58.1	0	0	0	0	123.8
159	S	30.5	Very low	29.9	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	77%	0.771	S	S	*	*			trans	-71.2	168	158.8	-14.6	0	0	0	0	112.1
160	P	36.4	Very low	30.8	Very low	114 Å²	114	125.8 Å²	125.8	74%	0.74	75%	0.753	S	S	*	*			cis	-149.2	176	46.3	44.3	-24.1	0	0	0	119.4
161	L	25.7	Very low	31.6	Very low	165 Å²	165	129.5 Å²	129.5	86%	0.864	76%	0.762	S	S	*	*			trans	65.3	115.6	156.3	-73.1	172.7	0	0	0	122.1
162	S	26.5	Very low	32.4	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	77%	0.767	S	S	*	*			trans	92	124.1	135.3	-142	0	0	0	0	121.4
163	S	31.6	Very low	33.4	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	76%	0.763	S	S	*	*			trans	66.9	81.4	143.1	-55.2	0	0	0	0	120.5
164	R	30.5	Very low	34.7	Very low	250 Å²	250	133.8 Å²	133.8	94%	0.943	76%	0.758	S	S	*	*				178.8	154.2	112.5	-98.1	161.8	174.5	177.6	-2.4	112.2
165	G	35.3	Very low	36.3	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	74%	0.744	S	S	*	*			trans	66.8	93.7	162.2	0	0	0	0	0	116.4
166	V	32.1	Very low	38.1	Very low	146 Å²	146	125.4 Å²	125.4	89%	0.885	70%	0.704	S	S	*	*			trans	-100.3	106.9	153.3	178.6	0	0	0	0	106.7
167	E	33.9	Very low	39.6	Very low	164 Å²	164	125.3 Å²	125.3	77%	0.766	69%	0.693	S	S	*	*			trans	-69.7	134.3	166	-63	178.3	133.9	0	0	108.3	M169	E167-M169 PolarHBondContact O-N 3.15Å
168	D	33.9	Very low	41.4	Very low	119 Å²	119	121.8 Å²	121.8	64%	0.636	67%	0.669	S	S	*	*			trans	-73.7	102.5	-172.7	177.8	37.4	0	0	0	111.5	S170	D168-S170 PolarHBondContact O-N 3.2Å; D168-S170 WeakPolarHBondContact OD2-CB 3.48Å; D168-S170 PolarHBondContact OD2-OG 3.37Å
169	M	35.2	Very low	43.7	Very low	140 Å²	140	119.9 Å²	119.9	69%	0.69	65%	0.654	S	S	*	*			trans	-73.7	43.2	174.6	-70.4	-74.4	173	0	0	112.5	E167 H171	E167-M169 PolarHBondContact O-N 3.15Å; M169-H171 VanDerWaalsContact C-N 3.26Å; M169-H171 PolarHBondContact O-N 3.09Å
170	S	41.8	Very low	45.9	Very low	50 Å²	50	118 Å²	118	35%	0.35	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-71.1	-18.1	-179.3	46.4	0	0	0	0	113.9	D168 Q172 R173	D168-S170 PolarHBondContact O-N 3.2Å; D168-S170 WeakPolarHBondContact OD2-CB 3.48Å; D168-S170 PolarHBondContact OD2-OG 3.37Å; S170-Q172 PolarHBondContact O-N 3.19Å; S170-Q172 VanDerWaalsContact O-N 3.09Å; S170-R173 PolarHBondContact O-N 2.86Å
171	H	40.9	Very low	48.1	Very low	185 Å²	185	114.2 Å²	114.2	86%	0.856	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-67.1	-3.6	178.8	-62.9	-55.9	0	0	0	115.7	M169	M169-H171 VanDerWaalsContact C-N 3.26Å; M169-H171 PolarHBondContact O-N 3.09Å
172	Q	42.9	Very low	50.7	Low	173 Å²	173	110.6 Å²	110.6	81%	0.808	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-109.2	9.3	177.7	-64	-170.9	6.5	0	0	114.6	S170	S170-Q172 PolarHBondContact O-N 3.19Å; S170-Q172 VanDerWaalsContact O-N 3.09Å
173	R	46.8	Very low	53.2	Low	202 Å²	202	112 Å²	112	76%	0.762	58%	0.577	S	S	*	*	S	Bend	trans	-83.7	138.4	172.8	-64.4	-170.2	-174	-171.9	5.5	111.1	S170	S170-R173 PolarHBondContact O-N 2.86Å
174	P	51.3	Low	55.7	Low	104 Å²	104	107.8 Å²	107.8	68%	0.675	55%	0.546	S	S	*	.			trans	-54.4	142.8	176.6	-28	35.6	0	0	0	113.5	C176	P174-C176 VanDerWaalsContact C-N 3.26Å; P174-C176 PolarHBondContact O-N 3.37Å
175	T	59.2	Low	58.2	Low	92 Å²	92	99.7 Å²	99.7	56%	0.564	52%	0.519	S	S	*	.	S	Bend	trans	-65.3	-29.5	178.4	49.8	0	0	0	0	112.7	R248	T175-R248 PolarHBondContact O-NH1 3.18Å; T175-R248 PolarHBondContact O-NH2 3.32Å
176	C	60.8	Low	60.5	Low	5 Å²	5	98 Å²	98	3%	0.034	49%	0.493	C	S	.	.	S	Bend	trans	-137.8	145	170.9	57.1	0	0	0	0	110.4	P174	P174-C176 VanDerWaalsContact C-N 3.26Å; P174-C176 PolarHBondContact O-N 3.37Å
177	H	73.4	Confident	63.3	Low	111 Å²	111	91.1 Å²	91.1	51%	0.514	45%	0.451	S	S	.	.	S	Bend	trans	-65.8	-41.2	-178.7	-179.7	82.4	0	0	0	113.3	F221 S222 G224	H177-F221 PolarHBondContact N-O 3.08Å; H177-F221 VanDerWaalsContact N-O 3.12Å; H177-S222 PolarHBondContact N-O 3.31Å; H177-G224 WeakPolarHBondContact CD2-CA 3.21Å
178	N	74.6	Confident	65.8	Low	33 Å²	33	85.4 Å²	85.4	18%	0.176	43%	0.425	C	S	.	.			trans	-130.9	97.8	177.1	-169.4	-13.5	0	0	0	111.4	S180 M181 Y210 F221	N178-S180 VanDerWaalsContact C-N 3.29Å; N178-S180 PolarHBondContact O-N 3.45Å; N178-S180 PolarHBondContact OD1-N 2.67Å; N178-S180 PolarHBondContact OD1-OG 2.89Å; N178-M181 HydrophobicContact CB-CB 4.35Å; N178-M181 WeakPolarHBondContact ND2-CG 3.39Å; N178-M181 PolarHBondContact O-N 3.13Å; N178-Y210 HydrophobicContact CB-CE1 4.11Å; N178-Y210 VanDerWaalsContact ND2-CZ 3.29Å; N178-Y210 PolarHBondContact ND2-OH 2.94Å; N178-F221 PolarHBondContact N-O 3.13Å
179	P	74.2	Confident	68.2	Low	71 Å²	71	84.1 Å²	84.1	46%	0.461	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.2	-175.1	-24.3	33.4	0	0	0	116.6	R182	P179-R182 PolarHBondContact O-NE 3.07Å
180	S	76.8	Confident	70.7	Confident	72 Å²	72	78.2 Å²	78.2	50%	0.503	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-31.2	177.9	58.7	0	0	0	0	112.3	N178 R182	N178-S180 VanDerWaalsContact C-N 3.29Å; N178-S180 PolarHBondContact O-N 3.45Å; N178-S180 PolarHBondContact OD1-N 2.67Å; N178-S180 PolarHBondContact OD1-OG 2.89Å; S180-R182 PolarHBondContact O-N 2.76Å; S180-R182 VanDerWaalsContact O-N 3.08Å
181	M	82.7	Confident	72.8	Confident	35 Å²	35	76.5 Å²	76.5	17%	0.172	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	20.4	-178.6	-67.5	-66.5	176.8	0	0	113.7	N178 D186 R187 Y210 F221	N178-M181 HydrophobicContact CB-CB 4.35Å; N178-M181 WeakPolarHBondContact ND2-CG 3.39Å; N178-M181 PolarHBondContact O-N 3.13Å; M181-D186 HydrophobicContact SD-CB 4.43Å; M181-R187 HydrophobicContact CB-CG 4.02Å; M181-R187 VanDerWaalsContact O-CD 3.28Å; M181-R187 WeakPolarHBondContact O-CD 3.46Å; M181-R187 VanDerWaalsContact O-CG 3.25Å; M181-R187 WeakPolarHBondContact O-CG 3.42Å; M181-R187 PolarHBondContact O-NH1 3.32Å; M181-R187 HydrophobicContact SD-CG 4.11Å; M181-Y210 HydrophobicContact CB-CD1 3.73Å; M181-Y210 HydrophobicContact CB-CE1 4.1Å; M181-Y210 HydrophobicContact CB-CG 4.26Å; M181-Y210 HydrophobicContact CE-CD2 4Å; M181-Y210 HydrophobicContact CE-CG 4.22Å; M181-Y210 HydrophobicContact CG-CD1 3.58Å; M181-Y210 HydrophobicContact CG-CD2 4.1Å; M181-Y210 HydrophobicContact CG-CE1 3.91Å; M181-Y210 HydrophobicContact CG-CE2 4.39Å; M181-Y210 HydrophobicContact CG-CG 3.68Å; M181-Y210 HydrophobicContact SD-CD1 4.3Å; M181-Y210 HydrophobicContact SD-CD2 4.25Å; M181-Y210 HydrophobicContact SD-CG 3.86Å; M181-F221 HydrophobicContact CB-CB 3.56Å; M181-F221 VanDerWaalsContact O-CB 3.26Å; M181-F221 WeakPolarHBondContact O-CB 3.3Å; M181-F221 VanDerWaalsContact O-CG 3.26Å; M181-F221 WeakPolarHBondContact O-CG 3.42Å
182	R	79.9	Confident	74.6	Confident	89 Å²	89	75.2 Å²	75.2	34%	0.336	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-27.4	179.7	-81.4	-168.6	-74.1	-172.9	-0.7	113.8	P179 S180 R187 F221 D256 V258	P179-R182 PolarHBondContact O-NE 3.07Å; S180-R182 PolarHBondContact O-N 2.76Å; S180-R182 VanDerWaalsContact O-N 3.08Å; R182-R187 PolarHBondContact O-NH1 3.13Å; R182-F221 HydrophobicContact CB-CD2 4.48Å; R182-F221 HydrophobicContact CG-CD2 3.75Å; R182-F221 HydrophobicContact CG-CE2 3.9Å; R182-D256 WeakPolarHBondContact CB-O 3.33Å; R182-D256 VanDerWaalsContact CD-O 3.31Å; R182-D256 WeakPolarHBondContact CD-O 3.47Å; R182-D256 WeakPolarHBondContact CD-OD1 3.08Å; R182-D256 HydrophobicContact CG-CB 4.33Å; R182-D256 WeakPolarHBondContact CG-O 3.19Å; R182-D256 IonicContact CZ-OD1 2.74Å; R182-D256 IonicContact NE-OD1 3.57Å; R182-D256 IonicContact NH1-OD1 3.21Å; R182-D256 PolarHBondContact NH1-OD1 3.25Å; R182-V258 PolarHBondContact O-N 2.89Å
183	R	79.1	Confident	76.3	Confident	136 Å²	136	69.7 Å²	69.7	51%	0.513	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-82	135.9	169.9	-78.5	-177.9	-62.6	-112	-2.1	110.8	Q185 D186 R187 V258	R183-Q185 VanDerWaalsContact C-N 3.28Å; R183-Q185 PolarHBondContact O-N 3.15Å; R183-D186 HydrophobicContact CB-CB 4.21Å; R183-D186 WeakPolarHBondContact CB-OD1 3.35Å; R183-D186 WeakPolarHBondContact CD-OD1 3.28Å; R183-D186 IonicContact CZ-OD1 3.67Å; R183-D186 IonicContact CZ-OD2 3.22Å; R183-D186 VanDerWaalsContact NE-CG 3.3Å; R183-D186 IonicContact NE-OD1 2.83Å; R183-D186 PolarHBondContact NE-OD1 3.05Å; R183-D186 IonicContact NE-OD2 3.65Å; R183-D186 PolarHBondContact NE-OD2 2.99Å; R183-D186 VanDerWaalsContact NE-OD2 3.13Å; R183-D186 IonicContact NH2-OD1 3.73Å; R183-D186 IonicContact NH2-OD2 3.79Å; R183-D186 PolarHBondContact NH2-OD2 3.32Å; R183-D186 PolarHBondContact O-N 3.46Å; R183-R187 WeakPolarHBondContact O-CG 3.28Å; R183-R187 PolarHBondContact O-N 3.13Å; R183-V258 WeakPolarHBondContact CA-O 3.44Å; R183-V258 HydrophobicContact CG-CB 3.88Å; R183-V258 HydrophobicContact CG-CG1 4.06Å; R183-V258 HydrophobicContact CG-CG2 4.43Å
184	E	85.6	Confident	78	Confident	12 Å²	12	61.5 Å²	61.5	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-31.1	176.1	-172.5	-175.8	159.7	0	0	112.2	R187 L188 A205 K206 V258 S259 L260	E184-R187 PolarHBondContact O-N 3.46Å; E184-L188 PolarHBondContact O-N 2.76Å; E184-A205 HydrophobicContact CG-CB 4.42Å; E184-K206 WeakPolarHBondContact OE1-CG 3.48Å; E184-V258 PolarHBondContact N-O 3.48Å; E184-S259 WeakPolarHBondContact OE2-CA 3.45Å; E184-S259 WeakPolarHBondContact OE2-CB 3.44Å; E184-L260 HydrophobicContact CB-CD2 4.42Å; E184-L260 HydrophobicContact CB-CG 3.98Å; E184-L260 HydrophobicContact CG-CD1 4.13Å; E184-L260 HydrophobicContact CG-CG 3.81Å; E184-L260 PolarHBondContact OE2-N 3.48Å
185	Q	81.7	Confident	79.1	Confident	80 Å²	80	62.4 Å²	62.4	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-52.6	173.9	-171.1	61.9	49.7	0	0	111.8	R183 R187 L188 D189 L260	R183-Q185 VanDerWaalsContact C-N 3.28Å; R183-Q185 PolarHBondContact O-N 3.15Å; Q185-R187 PolarHBondContact O-N 2.97Å; Q185-R187 VanDerWaalsContact O-N 3.13Å; Q185-L188 CarbonylContact O-C 3.57Å; Q185-L188 WeakPolarHBondContact O-CA 3.44Å; Q185-L188 WeakPolarHBondContact O-CB 3.31Å; Q185-L188 PolarHBondContact O-N 3.12Å; Q185-D189 PolarHBondContact NE2-OD1 3.29Å; Q185-D189 VanDerWaalsContact O-CG 3.25Å; Q185-D189 PolarHBondContact O-N 3.39Å; Q185-L260 HydrophobicContact CB-CD2 3.76Å; Q185-L260 VanDerWaalsContact OE1-CD2 3.27Å
186	D	84.1	Confident	79.9	Confident	40 Å²	40	60.9 Å²	60.9	21%	0.214	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-32.9	178.4	-57.1	41.8	0	0	0	112	M181 R183 S190	M181-D186 HydrophobicContact SD-CB 4.43Å; R183-D186 HydrophobicContact CB-CB 4.21Å; R183-D186 WeakPolarHBondContact CB-OD1 3.35Å; R183-D186 WeakPolarHBondContact CD-OD1 3.28Å; R183-D186 IonicContact CZ-OD1 3.67Å; R183-D186 IonicContact CZ-OD2 3.22Å; R183-D186 VanDerWaalsContact NE-CG 3.3Å; R183-D186 IonicContact NE-OD1 2.83Å; R183-D186 PolarHBondContact NE-OD1 3.05Å; R183-D186 IonicContact NE-OD2 3.65Å; R183-D186 PolarHBondContact NE-OD2 2.99Å; R183-D186 VanDerWaalsContact NE-OD2 3.13Å; R183-D186 IonicContact NH2-OD1 3.73Å; R183-D186 IonicContact NH2-OD2 3.79Å; R183-D186 PolarHBondContact NH2-OD2 3.32Å; R183-D186 PolarHBondContact O-N 3.46Å; D186-S190 PolarHBondContact O-N 2.91Å
187	R	90.4	Very high	80.5	Confident	1 Å²	1	66 Å²	66	0%	0.004	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-45.7	171	-65.5	-163.5	-60.8	-90.5	5.6	112.1	M181 R182 R183 E184 Q185 D189 S190 F191 A205 N257	M181-R187 HydrophobicContact CB-CG 4.02Å; M181-R187 VanDerWaalsContact O-CD 3.28Å; M181-R187 WeakPolarHBondContact O-CD 3.46Å; M181-R187 VanDerWaalsContact O-CG 3.25Å; M181-R187 WeakPolarHBondContact O-CG 3.42Å; M181-R187 PolarHBondContact O-NH1 3.32Å; M181-R187 HydrophobicContact SD-CG 4.11Å; R182-R187 PolarHBondContact O-NH1 3.13Å; R183-R187 WeakPolarHBondContact O-CG 3.28Å; R183-R187 PolarHBondContact O-N 3.13Å; E184-R187 PolarHBondContact O-N 3.46Å; Q185-R187 PolarHBondContact O-N 2.97Å; Q185-R187 VanDerWaalsContact O-N 3.13Å; R187-D189 VanDerWaalsContact C-N 3.35Å; R187-D189 PolarHBondContact O-N 3.45Å; R187-S190 WeakPolarHBondContact O-CB 3.35Å; R187-S190 PolarHBondContact O-N 3Å; R187-S190 PolarHBondContact O-OG 3.5Å; R187-F191 WeakPolarHBondContact O-CD2 3.41Å; R187-F191 VanDerWaalsContact O-CE2 3.3Å; R187-F191 WeakPolarHBondContact O-CE2 3.42Å; R187-A205 HydrophobicContact CB-CB 4.15Å; R187-A205 PolarHBondContact NE-O 2.65Å; R187-A205 PolarHBondContact NH2-O 3.38Å; R187-N257 PolarHBondContact NH1-OD1 3.25Å; R187-N257 VanDerWaalsContact NH1-OD1 3.12Å; R187-N257 PolarHBondContact NH2-OD1 3.19Å
188	L	86.8	Confident	80.8	Confident	44 Å²	44	64.2 Å²	64.2	23%	0.23	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-43.6	176.7	-167.2	70.4	0	0	0	111.8	E184 Q185 S190 F191 P201 A205	E184-L188 PolarHBondContact O-N 2.76Å; Q185-L188 CarbonylContact O-C 3.57Å; Q185-L188 WeakPolarHBondContact O-CA 3.44Å; Q185-L188 WeakPolarHBondContact O-CB 3.31Å; Q185-L188 PolarHBondContact O-N 3.12Å; L188-S190 PolarHBondContact O-N 3.32Å; L188-F191 WeakPolarHBondContact O-CB 3.46Å; L188-F191 PolarHBondContact O-N 2.91Å; L188-P201 HydrophobicContact CD1-CB 4.1Å; L188-A205 HydrophobicContact CB-CB 4.21Å; L188-A205 HydrophobicContact CD1-CB 4.1Å
189	D	85	Confident	81.1	Confident	91 Å²	91	62.9 Å²	62.9	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-27.9	179.9	-63	-23.5	0	0	0	112.4	Q185 R187 F191 H192	Q185-D189 PolarHBondContact NE2-OD1 3.29Å; Q185-D189 VanDerWaalsContact O-CG 3.25Å; Q185-D189 PolarHBondContact O-N 3.39Å; R187-D189 VanDerWaalsContact C-N 3.35Å; R187-D189 PolarHBondContact O-N 3.45Å; D189-F191 PolarHBondContact O-N 3.01Å; D189-H192 PolarHBondContact O-N 3.25Å
190	S	86.4	Confident	81.6	Confident	17 Å²	17	62.8 Å²	62.8	12%	0.119	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.5	175.2	77.9	0	0	0	0	113.8	D186 R187 L188 H192 Y210 Y211	D186-S190 PolarHBondContact O-N 2.91Å; R187-S190 WeakPolarHBondContact O-CB 3.35Å; R187-S190 PolarHBondContact O-N 3Å; R187-S190 PolarHBondContact O-OG 3.5Å; L188-S190 PolarHBondContact O-N 3.32Å; S190-H192 PolarHBondContact O-N 2.81Å; S190-Y210 WeakPolarHBondContact OG-CB 3.44Å; S190-Y211 WeakPolarHBondContact O-CD1 3.35Å; S190-Y211 PolarHBondContact OG-N 3.09Å
191	F	86.1	Confident	82.1	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.057	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	15.9	-178.8	-67.6	-88	0	0	0	113.9	R187 L188 D189 S193 W194 P201 L204 Y211 V218	R187-F191 WeakPolarHBondContact O-CD2 3.41Å; R187-F191 VanDerWaalsContact O-CE2 3.3Å; R187-F191 WeakPolarHBondContact O-CE2 3.42Å; L188-F191 WeakPolarHBondContact O-CB 3.46Å; L188-F191 PolarHBondContact O-N 2.91Å; D189-F191 PolarHBondContact O-N 3.01Å; F191-S193 PolarHBondContact O-N 3.41Å; F191-W194 HydrophobicContact CB-CB 3.96Å; F191-W194 HydrophobicContact CD1-CB 3.99Å; F191-W194 AromaticContact CD1-CD2 3.74Å; F191-W194 HydrophobicContact CD1-CD2 3.74Å; F191-W194 AromaticContact CD1-CE3 3.65Å; F191-W194 HydrophobicContact CD1-CE3 3.65Å; F191-W194 AromaticContact CD1-CG 3.92Å; F191-W194 HydrophobicContact CD1-CG 3.92Å; F191-W194 HydrophobicContact CD1-CZ3 4.35Å; F191-W194 HydrophobicContact CE1-CD2 4.17Å; F191-W194 AromaticContact CE1-CE3 3.83Å; F191-W194 HydrophobicContact CE1-CE3 3.83Å; F191-W194 HydrophobicContact CE1-CZ3 4.06Å; F191-W194 HydrophobicContact CG-CB 4.49Å; F191-W194 VanDerWaalsContact O-CB 3.27Å; F191-W194 WeakPolarHBondContact O-CB 3.48Å; F191-W194 PolarHBondContact O-N 3.09Å; F191-P201 HydrophobicContact CB-CB 3.64Å; F191-P201 HydrophobicContact CB-CG 3.92Å; F191-P201 HydrophobicContact CD1-CB 4.11Å; F191-P201 HydrophobicContact CD1-CG 4.29Å; F191-P201 HydrophobicContact CD2-CB 4.07Å; F191-P201 HydrophobicContact CG-CB 3.68Å; F191-P201 HydrophobicContact CG-CG 4.19Å; F191-L204 HydrophobicContact CD1-CD1 4.4Å; F191-L204 HydrophobicContact CE1-CB 4.01Å; F191-L204 HydrophobicContact CE1-CD1 3.6Å; F191-L204 HydrophobicContact CE1-CG 4.43Å; F191-L204 HydrophobicContact CE2-CB 4.24Å; F191-L204 HydrophobicContact CZ-CB 3.54Å; F191-L204 HydrophobicContact CZ-CD1 4.06Å; F191-L204 HydrophobicContact CZ-CG 4.41Å; F191-Y211 HydrophobicContact CD1-CG 4.27Å; F191-Y211 HydrophobicContact CE1-CG 4.49Å; F191-V218 HydrophobicContact CE1-CG1 3.76Å; F191-V218 HydrophobicContact CZ-CG1 4.05Å
192	H	79.5	Confident	82.1	Confident	159 Å²	159	62.4 Å²	62.4	74%	0.736	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-14.7	-177.7	68.6	74.4	0	0	0	115.7	D189 S190	D189-H192 PolarHBondContact O-N 3.25Å; S190-H192 PolarHBondContact O-N 2.81Å
193	S	78.1	Confident	82.4	Confident	57 Å²	57	60.9 Å²	60.9	40%	0.399	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	25.5	174.1	54.6	0	0	0	0	113.2	F191	F191-S193 PolarHBondContact O-N 3.41Å
194	W	82.2	Confident	82.7	Confident	30 Å²	30	54.4 Å²	54.4	11%	0.114	30%	0.303	C	S	.	.			trans	-76.5	130.9	173.3	-173.8	-94.7	0	0	0	111.3	F191 L196 I199 P201 L204 Y211 D216 V218	F191-W194 HydrophobicContact CB-CB 3.96Å; F191-W194 HydrophobicContact CD1-CB 3.99Å; F191-W194 AromaticContact CD1-CD2 3.74Å; F191-W194 HydrophobicContact CD1-CD2 3.74Å; F191-W194 AromaticContact CD1-CE3 3.65Å; F191-W194 HydrophobicContact CD1-CE3 3.65Å; F191-W194 AromaticContact CD1-CG 3.92Å; F191-W194 HydrophobicContact CD1-CG 3.92Å; F191-W194 HydrophobicContact CD1-CZ3 4.35Å; F191-W194 HydrophobicContact CE1-CD2 4.17Å; F191-W194 AromaticContact CE1-CE3 3.83Å; F191-W194 HydrophobicContact CE1-CE3 3.83Å; F191-W194 HydrophobicContact CE1-CZ3 4.06Å; F191-W194 HydrophobicContact CG-CB 4.49Å; F191-W194 VanDerWaalsContact O-CB 3.27Å; F191-W194 WeakPolarHBondContact O-CB 3.48Å; F191-W194 PolarHBondContact O-N 3.09Å; W194-L196 HydrophobicContact CZ2-CB 4.05Å; W194-L196 HydrophobicContact CZ2-CD1 4.17Å; W194-L196 HydrophobicContact CZ2-CG 4.46Å; W194-L196 PolarHBondContact NE1-O 2.83Å; W194-I199 HydrophobicContact CZ2-CG2 3.96Å; W194-I199 PolarHBondContact NE1-O 2.78Å; W194-P201 HydrophobicContact CB-CG 4.3Å; W194-P201 HydrophobicContact CG-CG 4.06Å; W194-L204 HydrophobicContact CH2-CD1 3.81Å; W194-L204 HydrophobicContact CZ2-CD1 3.55Å; W194-L204 HydrophobicContact CZ3-CD1 4.44Å; W194-Y211 AromaticContact CE3-CD2 3.57Å; W194-Y211 HydrophobicContact CE3-CD2 3.57Å; W194-Y211 AromaticContact CE3-CE2 3.74Å; W194-Y211 HydrophobicContact CE3-CE2 3.74Å; W194-Y211 HydrophobicContact CE3-CG 4.04Å; W194-Y211 AromaticContact CZ3-CD2 3.69Å; W194-Y211 HydrophobicContact CZ3-CD2 3.69Å; W194-Y211 AromaticContact CZ3-CE2 3.91Å; W194-Y211 HydrophobicContact CZ3-CE2 3.91Å; W194-D216 HydrophobicContact CH2-CB 3.81Å; W194-D216 VanDerWaalsContact CH2-O 3.3Å; W194-D216 WeakPolarHBondContact CH2-O 3.14Å; W194-D216 HydrophobicContact CZ3-CB 4.19Å; W194-D216 WeakPolarHBondContact CZ3-O 3.45Å; W194-V218 HydrophobicContact CH2-CG1 3.93Å; W194-V218 HydrophobicContact CZ3-CG1 3.66Å
195	T	74.3	Confident	82.8	Confident	123 Å²	123	53.9 Å²	53.9	76%	0.755	30%	0.3	S	S	*	.			trans	-117	-7.3	-172.8	54.3	0	0	0	0	114.6
196	L	75.5	Confident	82.9	Confident	59 Å²	59	55.6 Å²	55.6	31%	0.309	31%	0.307	S	S	.	.			trans	-84.1	125.4	179.3	-64.9	-172.9	0	0	0	111.7	W194 I198 D216	W194-L196 HydrophobicContact CZ2-CB 4.05Å; W194-L196 HydrophobicContact CZ2-CD1 4.17Å; W194-L196 HydrophobicContact CZ2-CG 4.46Å; W194-L196 PolarHBondContact NE1-O 2.83Å; L196-I198 HydrophobicContact CB-CG1 4.12Å; L196-I198 HydrophobicContact CD1-CD1 4.29Å; L196-I198 HydrophobicContact CD1-CG1 4.33Å; L196-D216 HydrophobicContact CD1-CB 3.46Å; L196-D216 VanDerWaalsContact CD1-CB 3.46Å; L196-D216 HydrophobicContact CG-CB 4.38Å
197	S	73.8	Confident	83	Confident	114 Å²	114	53.8 Å²	53.8	80%	0.797	30%	0.297	S	S	*	.	S	Bend	trans	-89.2	-13.5	173.8	53.4	0	0	0	0	114.1	I199	S197-I199 VanDerWaalsContact C-N 3.31Å; S197-I199 PolarHBondContact O-N 3.4Å
198	I	79.9	Confident	82.9	Confident	72 Å²	72	53.8 Å²	53.8	37%	0.369	30%	0.297	S	S	.	.	S	Bend	trans	-69.1	-25.6	-177.1	54.6	162.7	0	0	0	113.7	L196 W230 P232	L196-I198 HydrophobicContact CB-CG1 4.12Å; L196-I198 HydrophobicContact CD1-CD1 4.29Å; L196-I198 HydrophobicContact CD1-CG1 4.33Å; I198-W230 HydrophobicContact CD1-CB 4.13Å; I198-W230 WeakPolarHBondContact CD1-O 3.39Å; I198-P232 HydrophobicContact CG2-CG 4.16Å
199	I	81.3	Confident	83.1	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	29%	0.286	C	S	.	.	S	Bend	trans	-142.2	136.4	174.5	-168.9	165.8	0	0	0	109	W194 S197 L204 W230 A236	W194-I199 HydrophobicContact CZ2-CG2 3.96Å; W194-I199 PolarHBondContact NE1-O 2.78Å; S197-I199 VanDerWaalsContact C-N 3.31Å; S197-I199 PolarHBondContact O-N 3.4Å; I199-L204 HydrophobicContact CD1-CD2 4.1Å; I199-L204 HydrophobicContact CD1-CG 4.47Å; I199-L204 HydrophobicContact CG1-CG 4.36Å; I199-L204 HydrophobicContact CG2-CD1 4.23Å; I199-W230 HydrophobicContact CD1-CD2 4.08Å; I199-W230 HydrophobicContact CD1-CE3 3.5Å; I199-W230 HydrophobicContact CD1-CH2 4.33Å; I199-W230 HydrophobicContact CD1-CZ3 3.65Å; I199-W230 HydrophobicContact CG2-CB 4.02Å; I199-W230 HydrophobicContact CG2-CD2 4.2Å; I199-W230 HydrophobicContact CG2-CG 3.94Å; I199-A236 HydrophobicContact CD1-CB 4.01Å
200	T	85	Confident	83.3	Confident	70 Å²	70	48.5 Å²	48.5	43%	0.429	27%	0.268	S	S	.	.			trans	-87.9	142	-168.6	69.4	0	0	0	0	112.4	T202 E203 L204	T200-T202 PolarHBondContact O-N 3.12Å; T200-T202 VanDerWaalsContact O-N 3.15Å; T200-E203 PolarHBondContact O-N 3.38Å; T200-E203 WeakPolarHBondContact OG1-CB 3.43Å; T200-E203 PolarHBondContact OG1-N 2.99Å; T200-E203 VanDerWaalsContact OG1-N 3.13Å; T200-L204 PolarHBondContact O-N 3.02Å; T200-L204 VanDerWaalsContact O-N 3.1Å
201	P	86.4	Confident	83.5	Confident	36 Å²	36	48.8 Å²	48.8	23%	0.234	27%	0.266	C	S	.	.	H	α-helix	trans	-48.1	-38.2	167.9	-34.5	39.7	0	0	0	114.1	L188 F191 W194 L204 A205	L188-P201 HydrophobicContact CD1-CB 4.1Å; F191-P201 HydrophobicContact CB-CB 3.64Å; F191-P201 HydrophobicContact CB-CG 3.92Å; F191-P201 HydrophobicContact CD1-CB 4.11Å; F191-P201 HydrophobicContact CD1-CG 4.29Å; F191-P201 HydrophobicContact CD2-CB 4.07Å; F191-P201 HydrophobicContact CG-CB 3.68Å; F191-P201 HydrophobicContact CG-CG 4.19Å; W194-P201 HydrophobicContact CB-CG 4.3Å; W194-P201 HydrophobicContact CG-CG 4.06Å; P201-L204 PolarHBondContact O-N 2.6Å; P201-A205 VanDerWaalsContact O-CB 3.31Å; P201-A205 WeakPolarHBondContact O-CB 3.38Å; P201-A205 PolarHBondContact O-N 2.91Å
202	T	83.9	Confident	83.5	Confident	63 Å²	63	50.8 Å²	50.8	39%	0.387	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-38.9	178.1	-47.1	0	0	0	0	112.6	T200 K206	T200-T202 PolarHBondContact O-N 3.12Å; T200-T202 VanDerWaalsContact O-N 3.15Å; T202-K206 HydrophobicContact CG2-CD 4.34Å; T202-K206 WeakPolarHBondContact O-CB 3.28Å; T202-K206 VanDerWaalsContact O-CG 3.22Å; T202-K206 WeakPolarHBondContact O-CG 3.39Å; T202-K206 PolarHBondContact O-N 3.08Å; T202-K206 VanDerWaalsContact O-N 3.08Å
203	E	84.8	Confident	83.4	Confident	57 Å²	57	45.5 Å²	45.5	27%	0.266	27%	0.266	S	S	.	.	H	α-helix	trans	-69.3	-41.8	175.7	-169.9	-179.4	161.1	0	0	111.4	T200 K206 A207 R235 A236	T200-E203 PolarHBondContact O-N 3.38Å; T200-E203 WeakPolarHBondContact OG1-CB 3.43Å; T200-E203 PolarHBondContact OG1-N 2.99Å; T200-E203 VanDerWaalsContact OG1-N 3.13Å; E203-K206 PolarHBondContact O-N 3.34Å; E203-A207 WeakPolarHBondContact O-CB 3.06Å; E203-A207 PolarHBondContact O-N 2.86Å; E203-R235 WeakPolarHBondContact OE1-CA 3.25Å; E203-A236 HydrophobicContact CG-CB 4Å; E203-A236 PolarHBondContact OE1-N 2.78Å
204	L	86.7	Confident	83.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-47.6	176.8	-66.5	163.2	0	0	0	111.3	F191 W194 I199 T200 P201 K206 A207 G208 F209 V218 W230 A236	F191-L204 HydrophobicContact CD1-CD1 4.4Å; F191-L204 HydrophobicContact CE1-CB 4.01Å; F191-L204 HydrophobicContact CE1-CD1 3.6Å; F191-L204 HydrophobicContact CE1-CG 4.43Å; F191-L204 HydrophobicContact CE2-CB 4.24Å; F191-L204 HydrophobicContact CZ-CB 3.54Å; F191-L204 HydrophobicContact CZ-CD1 4.06Å; F191-L204 HydrophobicContact CZ-CG 4.41Å; W194-L204 HydrophobicContact CH2-CD1 3.81Å; W194-L204 HydrophobicContact CZ2-CD1 3.55Å; W194-L204 HydrophobicContact CZ3-CD1 4.44Å; I199-L204 HydrophobicContact CD1-CD2 4.1Å; I199-L204 HydrophobicContact CD1-CG 4.47Å; I199-L204 HydrophobicContact CG1-CG 4.36Å; I199-L204 HydrophobicContact CG2-CD1 4.23Å; T200-L204 PolarHBondContact O-N 3.02Å; T200-L204 VanDerWaalsContact O-N 3.1Å; P201-L204 PolarHBondContact O-N 2.6Å; L204-K206 VanDerWaalsContact C-N 3.34Å; L204-K206 PolarHBondContact O-N 2.93Å; L204-A207 CarbonylContact O-C 3.56Å; L204-A207 PolarHBondContact O-N 3.43Å; L204-A207 VanDerWaalsContact O-N 3.17Å; L204-G208 PolarHBondContact O-N 2.89Å; L204-F209 HydrophobicContact CB-CB 4.3Å; L204-F209 HydrophobicContact CD2-CD2 4.28Å; L204-F209 WeakPolarHBondContact O-CB 3.39Å; L204-F209 PolarHBondContact O-N 3.41Å; L204-V218 HydrophobicContact CD1-CG1 4.34Å; L204-V218 HydrophobicContact CD2-CG1 4.46Å; L204-V218 HydrophobicContact CD2-CG2 4.33Å; L204-W230 HydrophobicContact CD2-CH2 3.82Å; L204-W230 HydrophobicContact CD2-CZ2 3.45Å; L204-W230 VanDerWaalsContact CD2-CZ2 3.45Å; L204-A236 HydrophobicContact CD2-CB 3.88Å
205	A	86.8	Confident	83.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-40.7	175.9	0	0	0	0	0	112.6	E184 R187 L188 P201 G208 F209	E184-A205 HydrophobicContact CG-CB 4.42Å; R187-A205 HydrophobicContact CB-CB 4.15Å; R187-A205 PolarHBondContact NE-O 2.65Å; R187-A205 PolarHBondContact NH2-O 3.38Å; L188-A205 HydrophobicContact CB-CB 4.21Å; L188-A205 HydrophobicContact CD1-CB 4.1Å; P201-A205 VanDerWaalsContact O-CB 3.31Å; P201-A205 WeakPolarHBondContact O-CB 3.38Å; P201-A205 PolarHBondContact O-N 2.91Å; A205-G208 PolarHBondContact O-N 2.65Å; A205-G208 VanDerWaalsContact O-N 3.15Å; A205-F209 WeakPolarHBondContact CA-O 3.45Å
206	K	84.5	Confident	84	Confident	117 Å²	117	45 Å²	45	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-66.1	-37.2	174	-79.2	175.5	178.7	-172.7	0	113.3	E184 T202 E203 L204 G208 F249	E184-K206 WeakPolarHBondContact OE1-CG 3.48Å; T202-K206 HydrophobicContact CG2-CD 4.34Å; T202-K206 WeakPolarHBondContact O-CB 3.28Å; T202-K206 VanDerWaalsContact O-CG 3.22Å; T202-K206 WeakPolarHBondContact O-CG 3.39Å; T202-K206 PolarHBondContact O-N 3.08Å; T202-K206 VanDerWaalsContact O-N 3.08Å; E203-K206 PolarHBondContact O-N 3.34Å; L204-K206 VanDerWaalsContact C-N 3.34Å; L204-K206 PolarHBondContact O-N 2.93Å; K206-G208 PolarHBondContact O-N 2.92Å; K206-F249 WeakPolarHBondContact O-CZ 3.45Å
207	A	86.7	Confident	84.5	Confident	2 Å²	2	46.2 Å²	46.2	2%	0.017	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	2.3	173	0	0	0	0	0	113.7	E203 L204 F209 A236 V237 H240 F249	E203-A207 WeakPolarHBondContact O-CB 3.06Å; E203-A207 PolarHBondContact O-N 2.86Å; L204-A207 CarbonylContact O-C 3.56Å; L204-A207 PolarHBondContact O-N 3.43Å; L204-A207 VanDerWaalsContact O-N 3.17Å; A207-F209 HydrophobicContact CB-CD2 3.78Å; A207-F209 HydrophobicContact CB-CE2 3.99Å; A207-A236 HydrophobicContact CB-CB 3.46Å; A207-A236 VanDerWaalsContact CB-CB 3.46Å; A207-V237 HydrophobicContact CB-CG2 3.74Å; A207-H240 PolarHBondContact O-CE1 3.32Å; A207-H240 VanDerWaalsContact O-CE1 3.32Å; A207-H240 PolarHBondContact O-ND1 3.05Å; A207-F249 VanDerWaalsContact C-CE1 3.46Å; A207-F249 WeakPolarHBondContact O-CE1 3.43Å
208	G	86.6	Confident	85.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	13.8	175.9	0	0	0	0	0	114.2	L204 A205 K206 C220 F221	L204-G208 PolarHBondContact O-N 2.89Å; A205-G208 PolarHBondContact O-N 2.65Å; A205-G208 VanDerWaalsContact O-N 3.15Å; K206-G208 PolarHBondContact O-N 2.92Å; G208-C220 WeakPolarHBondContact O-CA 3.46Å; G208-F221 WeakPolarHBondContact O-CD1 3.34Å; G208-F221 PolarHBondContact O-N 3.18Å; G208-F221 VanDerWaalsContact O-N 3.13Å
209	F	91.3	Very high	85.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.9	179.2	-65.5	-68.1	0	0	0	113.1	L204 A205 A207 V218 A219 C220 L227 W230 A236 H240	L204-F209 HydrophobicContact CB-CB 4.3Å; L204-F209 HydrophobicContact CD2-CD2 4.28Å; L204-F209 WeakPolarHBondContact O-CB 3.39Å; L204-F209 PolarHBondContact O-N 3.41Å; A205-F209 WeakPolarHBondContact CA-O 3.45Å; A207-F209 HydrophobicContact CB-CD2 3.78Å; A207-F209 HydrophobicContact CB-CE2 3.99Å; F209-V218 HydrophobicContact CB-CB 3.97Å; F209-V218 HydrophobicContact CB-CG2 3.89Å; F209-V218 HydrophobicContact CD1-CB 4.34Å; F209-V218 HydrophobicContact CD1-CG2 3.67Å; F209-V218 HydrophobicContact CD2-CG2 4.34Å; F209-V218 HydrophobicContact CE1-CG2 4.28Å; F209-V218 HydrophobicContact CG-CB 4.33Å; F209-V218 HydrophobicContact CG-CG2 3.72Å; F209-A219 CarbonylContact C-O 3.46Å; F209-A219 VanDerWaalsContact CA-O 3.31Å; F209-A219 WeakPolarHBondContact CA-O 3.45Å; F209-C220 HydrophobicContact CD1-CB 4.08Å; F209-C220 HydrophobicContact CE1-CB 4Å; F209-L227 HydrophobicContact CE1-CD1 4.18Å; F209-L227 HydrophobicContact CE1-CG 4.36Å; F209-L227 HydrophobicContact CE2-CD1 4.13Å; F209-L227 HydrophobicContact CZ-CD1 3.51Å; F209-L227 HydrophobicContact CZ-CG 4.17Å; F209-W230 HydrophobicContact CE2-CH2 4.43Å; F209-A236 HydrophobicContact CD2-CB 4.44Å; F209-A236 HydrophobicContact CE2-CB 4.48Å; F209-H240 HydrophobicContact CE2-CB 3.75Å; F209-H240 AromaticContact CE2-CG 3.84Å; F209-H240 AromaticContact CE2-ND1 3.75Å; F209-H240 HydrophobicContact CZ-CB 3.58Å; F209-H240 AromaticContact CZ-CD2 3.92Å; F209-H240 AromaticContact CZ-CG 3.42Å; F209-H240 VanDerWaalsContact CZ-CG 3.42Å; F209-H240 AromaticContact CZ-ND1 3.59Å
210	Y	90.1	Very high	86.3	Confident	25 Å²	25	37.1 Å²	37.1	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.7	165.4	67.1	-88.4	0	0	0	109.8	N178 M181 S190 L212 V218 A219 F221	N178-Y210 HydrophobicContact CB-CE1 4.11Å; N178-Y210 VanDerWaalsContact ND2-CZ 3.29Å; N178-Y210 PolarHBondContact ND2-OH 2.94Å; M181-Y210 HydrophobicContact CB-CD1 3.73Å; M181-Y210 HydrophobicContact CB-CE1 4.1Å; M181-Y210 HydrophobicContact CB-CG 4.26Å; M181-Y210 HydrophobicContact CE-CD2 4Å; M181-Y210 HydrophobicContact CE-CG 4.22Å; M181-Y210 HydrophobicContact CG-CD1 3.58Å; M181-Y210 HydrophobicContact CG-CD2 4.1Å; M181-Y210 HydrophobicContact CG-CE1 3.91Å; M181-Y210 HydrophobicContact CG-CE2 4.39Å; M181-Y210 HydrophobicContact CG-CG 3.68Å; M181-Y210 HydrophobicContact SD-CD1 4.3Å; M181-Y210 HydrophobicContact SD-CD2 4.25Å; M181-Y210 HydrophobicContact SD-CG 3.86Å; S190-Y210 WeakPolarHBondContact OG-CB 3.44Å; Y210-L212 HydrophobicContact CE2-CD2 3.87Å; Y210-V218 CarbonylContact O-C 3.54Å; Y210-V218 VanDerWaalsContact O-CA 3.26Å; Y210-V218 WeakPolarHBondContact O-CA 3.41Å; Y210-V218 WeakPolarHBondContact O-CB 3.49Å; Y210-A219 WeakPolarHBondContact CD1-O 3.26Å; Y210-A219 HydrophobicContact CE1-CB 3.95Å; Y210-A219 WeakPolarHBondContact CE1-O 3.49Å; Y210-A219 HydrophobicContact CE2-CB 4.27Å; Y210-A219 PolarHBondContact N-O 3.3Å; Y210-A219 PolarHBondContact O-N 3.46Å; Y210-F221 HydrophobicContact CD1-CB 4.46Å
211	Y	89.5	Confident	86.3	Confident	23 Å²	23	33.9 Å²	33.9	9%	0.09	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.7	-177	-175.7	-143.1	0	0	0	112.2	S190 F191 W194 G213 Q214 G215 R217	S190-Y211 WeakPolarHBondContact O-CD1 3.35Å; S190-Y211 PolarHBondContact OG-N 3.09Å; F191-Y211 HydrophobicContact CD1-CG 4.27Å; F191-Y211 HydrophobicContact CE1-CG 4.49Å; W194-Y211 AromaticContact CE3-CD2 3.57Å; W194-Y211 HydrophobicContact CE3-CD2 3.57Å; W194-Y211 AromaticContact CE3-CE2 3.74Å; W194-Y211 HydrophobicContact CE3-CE2 3.74Å; W194-Y211 HydrophobicContact CE3-CG 4.04Å; W194-Y211 AromaticContact CZ3-CD2 3.69Å; W194-Y211 HydrophobicContact CZ3-CD2 3.69Å; W194-Y211 AromaticContact CZ3-CE2 3.91Å; W194-Y211 HydrophobicContact CZ3-CE2 3.91Å; Y211-G213 VanDerWaalsContact CE1-CA 3.48Å; Y211-G213 VanDerWaalsContact CZ-CA 3.5Å; Y211-Q214 PolarHBondContact OH-N 2.84Å; Y211-G215 WeakPolarHBondContact CE2-O 3.44Å; Y211-G215 PolarHBondContact OH-O 2.97Å; Y211-R217 VanDerWaalsContact CD2-O 3.25Å; Y211-R217 WeakPolarHBondContact CD2-O 3.43Å
212	L	85.8	Confident	86.2	Confident	54 Å²	54	32.8 Å²	32.8	28%	0.283	18%	0.184	S	C	.	.			trans	-95.2	5.5	177.1	-66.2	176.3	0	0	0	113.9	Y210 Q214 R217 A219 Q226	Y210-L212 HydrophobicContact CE2-CD2 3.87Å; L212-Q214 PolarHBondContact O-N 3.08Å; L212-R217 HydrophobicContact CB-CB 4.27Å; L212-R217 WeakPolarHBondContact CB-O 3.35Å; L212-R217 HydrophobicContact CD1-CB 4.15Å; L212-R217 PolarHBondContact N-O 3.38Å; L212-A219 HydrophobicContact CD1-CB 4.04Å; L212-A219 HydrophobicContact CD2-CB 3.78Å; L212-A219 HydrophobicContact CG-CB 3.98Å; L212-Q226 HydrophobicContact CD1-CG 4.17Å
213	G	79.1	Confident	86.2	Confident	49 Å²	49	32.1 Å²	32.1	51%	0.505	18%	0.181	S	C	.	.	S	Bend	trans	73	9.9	177.8	0	0	0	0	0	115.2	Y211	Y211-G213 VanDerWaalsContact CE1-CA 3.48Å; Y211-G213 VanDerWaalsContact CZ-CA 3.5Å
214	Q	78.9	Confident	86.1	Confident	115 Å²	115	30 Å²	30	54%	0.537	18%	0.175	S	C	.	.	S	Bend	trans	-134.6	113.1	-175.8	-65.7	-179.1	0.1	0	0	111.2	Y211 L212 D216 R217	Y211-Q214 PolarHBondContact OH-N 2.84Å; L212-Q214 PolarHBondContact O-N 3.08Å; Q214-D216 PolarHBondContact O-N 3.32Å; Q214-R217 VanDerWaalsContact O-CB 3.3Å; Q214-R217 WeakPolarHBondContact O-CB 3.38Å; Q214-R217 VanDerWaalsContact O-CG 3.29Å; Q214-R217 WeakPolarHBondContact O-CG 3.43Å; Q214-R217 PolarHBondContact O-N 3.4Å; Q214-R217 VanDerWaalsContact O-N 3.1Å
215	G	81.5	Confident	86.1	Confident	61 Å²	61	30.2 Å²	30.2	63%	0.629	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	-118.8	178.5	0	0	0	0	0	111.5	Y211	Y211-G215 WeakPolarHBondContact CE2-O 3.44Å; Y211-G215 PolarHBondContact OH-O 2.97Å
216	D	85.6	Confident	86.3	Confident	24 Å²	24	34 Å²	34	13%	0.128	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	17	175.9	71.2	-24.8	0	0	0	112.6	W194 L196 Q214 V218 N228 N229 W230	W194-D216 HydrophobicContact CH2-CB 3.81Å; W194-D216 VanDerWaalsContact CH2-O 3.3Å; W194-D216 WeakPolarHBondContact CH2-O 3.14Å; W194-D216 HydrophobicContact CZ3-CB 4.19Å; W194-D216 WeakPolarHBondContact CZ3-O 3.45Å; L196-D216 HydrophobicContact CD1-CB 3.46Å; L196-D216 VanDerWaalsContact CD1-CB 3.46Å; L196-D216 HydrophobicContact CG-CB 4.38Å; Q214-D216 PolarHBondContact O-N 3.32Å; D216-V218 PolarHBondContact O-N 2.85Å; D216-N228 WeakPolarHBondContact OD1-CB 3.19Å; D216-N229 PolarHBondContact OD1-N 2.93Å; D216-N229 WeakPolarHBondContact OD2-CA 3.01Å; D216-N229 PolarHBondContact OD2-N 3.26Å; D216-W230 PolarHBondContact O-NE1 3.36Å; D216-W230 PolarHBondContact OD2-N 3.46Å
217	R	86.8	Confident	86.4	Confident	84 Å²	84	29.2 Å²	29.2	32%	0.317	18%	0.175	S	C	.	.			trans	-73.3	123.2	-173.9	-61	178.4	63.6	-161.6	-0.9	111.4	Y211 L212 Q214 L227 N228	Y211-R217 VanDerWaalsContact CD2-O 3.25Å; Y211-R217 WeakPolarHBondContact CD2-O 3.43Å; L212-R217 HydrophobicContact CB-CB 4.27Å; L212-R217 WeakPolarHBondContact CB-O 3.35Å; L212-R217 HydrophobicContact CD1-CB 4.15Å; L212-R217 PolarHBondContact N-O 3.38Å; Q214-R217 VanDerWaalsContact O-CB 3.3Å; Q214-R217 WeakPolarHBondContact O-CB 3.38Å; Q214-R217 VanDerWaalsContact O-CG 3.29Å; Q214-R217 WeakPolarHBondContact O-CG 3.43Å; Q214-R217 PolarHBondContact O-N 3.4Å; Q214-R217 VanDerWaalsContact O-N 3.1Å; R217-L227 WeakPolarHBondContact CA-O 3.36Å; R217-N228 HydrophobicContact CB-CB 4.47Å; R217-N228 HydrophobicContact CG-CB 3.84Å
218	V	90.9	Very high	86.5	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.7	175.5	-56.6	0	0	0	0	111.6	F191 W194 L204 F209 Y210 D216 Q226 L227 W230	F191-V218 HydrophobicContact CE1-CG1 3.76Å; F191-V218 HydrophobicContact CZ-CG1 4.05Å; W194-V218 HydrophobicContact CH2-CG1 3.93Å; W194-V218 HydrophobicContact CZ3-CG1 3.66Å; L204-V218 HydrophobicContact CD1-CG1 4.34Å; L204-V218 HydrophobicContact CD2-CG1 4.46Å; L204-V218 HydrophobicContact CD2-CG2 4.33Å; F209-V218 HydrophobicContact CB-CB 3.97Å; F209-V218 HydrophobicContact CB-CG2 3.89Å; F209-V218 HydrophobicContact CD1-CB 4.34Å; F209-V218 HydrophobicContact CD1-CG2 3.67Å; F209-V218 HydrophobicContact CD2-CG2 4.34Å; F209-V218 HydrophobicContact CE1-CG2 4.28Å; F209-V218 HydrophobicContact CG-CB 4.33Å; F209-V218 HydrophobicContact CG-CG2 3.72Å; Y210-V218 CarbonylContact O-C 3.54Å; Y210-V218 VanDerWaalsContact O-CA 3.26Å; Y210-V218 WeakPolarHBondContact O-CA 3.41Å; Y210-V218 WeakPolarHBondContact O-CB 3.49Å; D216-V218 PolarHBondContact O-N 2.85Å; V218-Q226 CarbonylContact O-C 3.52Å; V218-Q226 WeakPolarHBondContact O-CA 3.5Å; V218-L227 HydrophobicContact CG2-CB 4.21Å; V218-L227 PolarHBondContact N-O 3.49Å; V218-L227 PolarHBondContact O-N 2.72Å; V218-W230 HydrophobicContact CG2-CZ2 3.75Å
219	A	89.7	Confident	86.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.6	178.8	0	0	0	0	0	112.3	F209 Y210 L212 G225 Q226	F209-A219 CarbonylContact C-O 3.46Å; F209-A219 VanDerWaalsContact CA-O 3.31Å; F209-A219 WeakPolarHBondContact CA-O 3.45Å; Y210-A219 WeakPolarHBondContact CD1-O 3.26Å; Y210-A219 HydrophobicContact CE1-CB 3.95Å; Y210-A219 WeakPolarHBondContact CE1-O 3.49Å; Y210-A219 HydrophobicContact CE2-CB 4.27Å; Y210-A219 PolarHBondContact N-O 3.3Å; Y210-A219 PolarHBondContact O-N 3.46Å; L212-A219 HydrophobicContact CD1-CB 4.04Å; L212-A219 HydrophobicContact CD2-CB 3.78Å; L212-A219 HydrophobicContact CG-CB 3.98Å; A219-G225 CarbonylContact C-O 3.59Å; A219-G225 WeakPolarHBondContact CA-O 3.45Å; A219-Q226 HydrophobicContact CB-CG 4.05Å
220	C	91.4	Very high	86.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.8	177.7	176.8	0	0	0	0	112	G208 F209 S222 C223 G224 G225 H240	G208-C220 WeakPolarHBondContact O-CA 3.46Å; F209-C220 HydrophobicContact CD1-CB 4.08Å; F209-C220 HydrophobicContact CE1-CB 4Å; C220-S222 VanDerWaalsContact C-N 3.26Å; C220-S222 PolarHBondContact O-N 3.19Å; C220-S222 PolarHBondContact SG-N 2.98Å; C220-C223 VanDerWaalsContact CB-SG 3.54Å; C220-G224 VanDerWaalsContact O-CA 3.29Å; C220-G224 WeakPolarHBondContact O-CA 3.36Å; C220-G224 PolarHBondContact O-N 2.85Å; C220-G225 PolarHBondContact N-O 2.96Å; C220-H240 PolarHBondContact SG-CE1 2.68Å
221	F	85.7	Confident	85.7	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.009	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.2	177	84.2	-87.2	0	0	0	113.7	H177 N178 M181 R182 G208 Y210 F249 D256 N257	H177-F221 PolarHBondContact N-O 3.08Å; H177-F221 VanDerWaalsContact N-O 3.12Å; N178-F221 PolarHBondContact N-O 3.13Å; M181-F221 HydrophobicContact CB-CB 3.56Å; M181-F221 VanDerWaalsContact O-CB 3.26Å; M181-F221 WeakPolarHBondContact O-CB 3.3Å; M181-F221 VanDerWaalsContact O-CG 3.26Å; M181-F221 WeakPolarHBondContact O-CG 3.42Å; R182-F221 HydrophobicContact CB-CD2 4.48Å; R182-F221 HydrophobicContact CG-CD2 3.75Å; R182-F221 HydrophobicContact CG-CE2 3.9Å; G208-F221 WeakPolarHBondContact O-CD1 3.34Å; G208-F221 PolarHBondContact O-N 3.18Å; G208-F221 VanDerWaalsContact O-N 3.13Å; Y210-F221 HydrophobicContact CD1-CB 4.46Å; F221-F249 AromaticContact CE1-CD2 3.74Å; F221-F249 HydrophobicContact CE1-CD2 3.74Å; F221-F249 HydrophobicContact CE1-CE2 4.02Å; F221-F249 HydrophobicContact CE1-CG 4.14Å; F221-F249 AromaticContact CZ-CD2 3.77Å; F221-F249 HydrophobicContact CZ-CD2 3.77Å; F221-F249 HydrophobicContact CZ-CE2 4.31Å; F221-F249 HydrophobicContact CZ-CG 4.35Å; F221-D256 HydrophobicContact CE2-CB 4.23Å; F221-N257 HydrophobicContact CZ-CB 3.91Å
222	S	83.5	Confident	85	Confident	13 Å²	13	49 Å²	49	9%	0.091	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-57.8	-175.7	-177.8	0	0	0	0	111.6	H177 C220	H177-S222 PolarHBondContact N-O 3.31Å; C220-S222 VanDerWaalsContact C-N 3.26Å; C220-S222 PolarHBondContact O-N 3.19Å; C220-S222 PolarHBondContact SG-N 2.98Å
223	C	83.8	Confident	84.4	Confident	48 Å²	48	49.8 Å²	49.8	32%	0.324	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-13.7	-173.6	69.4	0	0	0	0	115.5	C220 G225 C247	C220-C223 VanDerWaalsContact CB-SG 3.54Å; C223-G225 PolarHBondContact O-N 2.76Å; C223-G225 PolarHBondContact SG-N 3.34Å; C223-C247 HydrophobicContact CB-CB 3.91Å
224	G	83.1	Confident	84.5	Confident	14 Å²	14	49.5 Å²	49.5	14%	0.144	29%	0.292	C	S	.	.			trans	74.3	2.1	-174.5	0	0	0	0	0	115.6	H177 C220	H177-G224 WeakPolarHBondContact CD2-CA 3.21Å; C220-G224 VanDerWaalsContact O-CA 3.29Å; C220-G224 WeakPolarHBondContact O-CA 3.36Å; C220-G224 PolarHBondContact O-N 2.85Å
225	G	86.5	Confident	84.7	Confident	4 Å²	4	50.7 Å²	50.7	4%	0.041	29%	0.291	C	S	.	.			trans	-59.9	140.5	174.6	0	0	0	0	0	111.8	A219 C220 C223 Y244	A219-G225 CarbonylContact C-O 3.59Å; A219-G225 WeakPolarHBondContact CA-O 3.45Å; C220-G225 PolarHBondContact N-O 2.96Å; C223-G225 PolarHBondContact O-N 2.76Å; C223-G225 PolarHBondContact SG-N 3.34Å; G225-Y244 VanDerWaalsContact CA-CE2 3.47Å
226	Q	91.1	Very high	84.8	Confident	80 Å²	80	47.8 Å²	47.8	37%	0.374	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.3	-175.4	-60.8	-177.8	21.1	0	0	110.9	L212 V218 A219 Y244	L212-Q226 HydrophobicContact CD1-CG 4.17Å; V218-Q226 CarbonylContact O-C 3.52Å; V218-Q226 WeakPolarHBondContact O-CA 3.5Å; A219-Q226 HydrophobicContact CB-CG 4.05Å; Q226-Y244 PolarHBondContact N-OH 2.83Å; Q226-Y244 PolarHBondContact O-OH 3.01Å; Q226-Y244 VanDerWaalsContact O-OH 3.13Å
227	L	87.2	Confident	84.7	Confident	16 Å²	16	50.3 Å²	50.3	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150	176.8	-66.3	-179.6	0	0	0	110.9	F209 R217 V218 W230 E239 H243 Y244	F209-L227 HydrophobicContact CE1-CD1 4.18Å; F209-L227 HydrophobicContact CE1-CG 4.36Å; F209-L227 HydrophobicContact CE2-CD1 4.13Å; F209-L227 HydrophobicContact CZ-CD1 3.51Å; F209-L227 HydrophobicContact CZ-CG 4.17Å; R217-L227 WeakPolarHBondContact CA-O 3.36Å; V218-L227 HydrophobicContact CG2-CB 4.21Å; V218-L227 PolarHBondContact N-O 3.49Å; V218-L227 PolarHBondContact O-N 2.72Å; L227-W230 HydrophobicContact CB-CH2 4.2Å; L227-W230 HydrophobicContact CB-CZ2 3.7Å; L227-W230 HydrophobicContact CD1-CH2 3.7Å; L227-W230 HydrophobicContact CD1-CZ2 4.05Å; L227-E239 HydrophobicContact CD1-CB 3.88Å; L227-H243 HydrophobicContact CD2-CB 3.88Å; L227-Y244 HydrophobicContact CD2-CE2 4.06Å; L227-Y244 HydrophobicContact CG-CE2 4.36Å
228	N	88.4	Confident	84.6	Confident	81 Å²	81	49 Å²	49	43%	0.433	28%	0.281	S	S	.	.			trans	-165.5	168.8	-177.8	67	-34.8	0	0	0	111	D216 R217	D216-N228 WeakPolarHBondContact OD1-CB 3.19Å; R217-N228 HydrophobicContact CB-CB 4.47Å; R217-N228 HydrophobicContact CG-CB 3.84Å
229	N	84.4	Confident	84.4	Confident	119 Å²	119	49.7 Å²	49.7	64%	0.636	28%	0.284	S	S	*	.			trans	61.4	53.4	-169	-38.6	-83.8	0	0	0	112.4	D216	D216-N229 PolarHBondContact OD1-N 2.93Å; D216-N229 WeakPolarHBondContact OD2-CA 3.01Å; D216-N229 PolarHBondContact OD2-N 3.26Å
230	W	84.6	Confident	84.3	Confident	18 Å²	18	49.8 Å²	49.8	7%	0.068	29%	0.285	C	S	.	.			trans	-64.5	136.7	177.2	-63.1	94.3	0	0	0	111.7	I198 I199 L204 F209 D216 V218 L227 D234 A236 E239	I198-W230 HydrophobicContact CD1-CB 4.13Å; I198-W230 WeakPolarHBondContact CD1-O 3.39Å; I199-W230 HydrophobicContact CD1-CD2 4.08Å; I199-W230 HydrophobicContact CD1-CE3 3.5Å; I199-W230 HydrophobicContact CD1-CH2 4.33Å; I199-W230 HydrophobicContact CD1-CZ3 3.65Å; I199-W230 HydrophobicContact CG2-CB 4.02Å; I199-W230 HydrophobicContact CG2-CD2 4.2Å; I199-W230 HydrophobicContact CG2-CG 3.94Å; L204-W230 HydrophobicContact CD2-CH2 3.82Å; L204-W230 HydrophobicContact CD2-CZ2 3.45Å; L204-W230 VanDerWaalsContact CD2-CZ2 3.45Å; F209-W230 HydrophobicContact CE2-CH2 4.43Å; D216-W230 PolarHBondContact O-NE1 3.36Å; D216-W230 PolarHBondContact OD2-N 3.46Å; V218-W230 HydrophobicContact CG2-CZ2 3.75Å; L227-W230 HydrophobicContact CB-CH2 4.2Å; L227-W230 HydrophobicContact CB-CZ2 3.7Å; L227-W230 HydrophobicContact CD1-CH2 3.7Å; L227-W230 HydrophobicContact CD1-CZ2 4.05Å; W230-D234 HydrophobicContact CE3-CB 3.9Å; W230-D234 HydrophobicContact CZ3-CB 4.35Å; W230-A236 HydrophobicContact CH2-CB 4.22Å; W230-A236 HydrophobicContact CZ3-CB 4.46Å; W230-E239 HydrophobicContact CH2-CB 4.4Å; W230-E239 HydrophobicContact CZ3-CB 4.09Å; W230-E239 HydrophobicContact CZ3-CG 4.19Å
231	E	81.5	Confident	84.1	Confident	135 Å²	135	54 Å²	54	63%	0.631	30%	0.304	S	S	*	.			trans	-110.8	156.4	179.7	-64.5	-164	166	0	0	113	G233 D234	E231-G233 PolarHBondContact O-N 3.42Å; E231-D234 PolarHBondContact N-OD2 3.22Å; E231-D234 PolarHBondContact O-N 2.74Å; E231-D234 VanDerWaalsContact O-N 3.12Å
232	P	74.6	Confident	84.1	Confident	113 Å²	113	61.9 Å²	61.9	73%	0.734	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	99	179.2	-19.2	32.6	0	0	0	112.7	I198	I198-P232 HydrophobicContact CG2-CG 4.16Å
233	G	73.6	Confident	83.9	Confident	69 Å²	69	66.5 Å²	66.5	71%	0.711	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	128.9	-12	-178.1	0	0	0	0	0	113.8	E231	E231-G233 PolarHBondContact O-N 3.42Å
234	D	81.2	Confident	83.9	Confident	44 Å²	44	68.2 Å²	68.2	24%	0.235	35%	0.354	C	S	.	.			trans	-60.3	146.8	172	-75.7	-23.9	0	0	0	111.7	W230 E231 E239	W230-D234 HydrophobicContact CE3-CB 3.9Å; W230-D234 HydrophobicContact CZ3-CB 4.35Å; E231-D234 PolarHBondContact N-OD2 3.22Å; E231-D234 PolarHBondContact O-N 2.74Å; E231-D234 VanDerWaalsContact O-N 3.12Å; D234-E239 HydrophobicContact CB-CG 4.37Å
235	R	82.9	Confident	83.8	Confident	140 Å²	140	70.6 Å²	70.6	53%	0.528	37%	0.367	S	S	.	.			trans	-121.9	124.7	175.3	-59.7	-170.8	68.7	-173.8	0.9	109.1	E203 V237 S238 E239	E203-R235 WeakPolarHBondContact OE1-CA 3.25Å; R235-V237 VanDerWaalsContact C-N 3.25Å; R235-V237 PolarHBondContact O-N 3.2Å; R235-V237 VanDerWaalsContact O-N 3.13Å; R235-S238 WeakPolarHBondContact O-CB 3.39Å; R235-S238 PolarHBondContact O-N 3.29Å; R235-E239 PolarHBondContact O-N 3.16Å; R235-E239 VanDerWaalsContact O-N 3.1Å
236	A	84.3	Confident	83.3	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-58.1	-38.6	-167.7	0	0	0	0	0	112.7	I199 E203 L204 A207 F209 W230 H240	I199-A236 HydrophobicContact CD1-CB 4.01Å; E203-A236 HydrophobicContact CG-CB 4Å; E203-A236 PolarHBondContact OE1-N 2.78Å; L204-A236 HydrophobicContact CD2-CB 3.88Å; A207-A236 HydrophobicContact CB-CB 3.46Å; A207-A236 VanDerWaalsContact CB-CB 3.46Å; F209-A236 HydrophobicContact CD2-CB 4.44Å; F209-A236 HydrophobicContact CE2-CB 4.48Å; W230-A236 HydrophobicContact CH2-CB 4.22Å; W230-A236 HydrophobicContact CZ3-CB 4.46Å; A236-H240 VanDerWaalsContact O-CB 3.29Å; A236-H240 WeakPolarHBondContact O-CB 3.19Å; A236-H240 PolarHBondContact O-N 3.22Å
237	V	83.5	Confident	82.9	Confident	76 Å²	76	72.8 Å²	72.8	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-68.8	-38	178	-174.9	0	0	0	0	111.9	A207 R235 Q241	A207-V237 HydrophobicContact CB-CG2 3.74Å; R235-V237 VanDerWaalsContact C-N 3.25Å; R235-V237 PolarHBondContact O-N 3.2Å; R235-V237 VanDerWaalsContact O-N 3.13Å; V237-Q241 WeakPolarHBondContact O-CB 3.39Å; V237-Q241 PolarHBondContact O-N 3.35Å
238	S	84.6	Confident	82.5	Confident	57 Å²	57	77 Å²	77	40%	0.399	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-45.8	179.2	-61.1	0	0	0	0	111.3	R235 Q241 R242	R235-S238 WeakPolarHBondContact O-CB 3.39Å; R235-S238 PolarHBondContact O-N 3.29Å; S238-Q241 PolarHBondContact O-N 2.69Å; S238-R242 WeakPolarHBondContact O-CB 3.29Å; S238-R242 PolarHBondContact O-N 3.16Å
239	E	86.4	Confident	82.1	Confident	15 Å²	15	73.7 Å²	73.7	7%	0.07	38%	0.377	C	S	.	.	H	α-helix	trans	-72.4	-32.9	-179.9	-58.7	-44.1	115.7	0	0	112.1	L227 W230 D234 R235 Q241 R242 H243	L227-E239 HydrophobicContact CD1-CB 3.88Å; W230-E239 HydrophobicContact CH2-CB 4.4Å; W230-E239 HydrophobicContact CZ3-CB 4.09Å; W230-E239 HydrophobicContact CZ3-CG 4.19Å; D234-E239 HydrophobicContact CB-CG 4.37Å; R235-E239 PolarHBondContact O-N 3.16Å; R235-E239 VanDerWaalsContact O-N 3.1Å; E239-Q241 VanDerWaalsContact C-N 3.35Å; E239-Q241 PolarHBondContact O-N 2.73Å; E239-R242 PolarHBondContact O-N 2.98Å; E239-R242 IonicContact OE1-CZ 2.66Å; E239-R242 IonicContact OE1-NE 3.72Å; E239-R242 IonicContact OE1-NH1 3.66Å; E239-R242 PolarHBondContact OE1-NH1 3.29Å; E239-R242 VanDerWaalsContact OE1-NH1 3.07Å; E239-R242 IonicContact OE1-NH2 3.47Å; E239-R242 VanDerWaalsContact OE2-CD 3.29Å; E239-R242 WeakPolarHBondContact OE2-CD 3.48Å; E239-R242 IonicContact OE2-CZ 3.64Å; E239-R242 VanDerWaalsContact OE2-CZ 3.26Å; E239-R242 IonicContact OE2-NE 3.81Å; E239-R242 PolarHBondContact OE2-NE 3.19Å; E239-R242 IonicContact OE2-NH1 2.71Å; E239-R242 PolarHBondContact OE2-NH1 2.98Å; E239-H243 WeakPolarHBondContact O-CB 3.28Å; E239-H243 PolarHBondContact O-CD2 3.16Å; E239-H243 PolarHBondContact O-N 3.33Å; E239-H243 IonicContact OE2-CD2 3.25Å; E239-H243 IonicContact OE2-NE2 3.82Å
240	H	88.4	Confident	81.9	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-44.7	168.5	-161.2	171	0	0	0	111.7	A207 F209 C220 A236 Y244 C247 V250	A207-H240 PolarHBondContact O-CE1 3.32Å; A207-H240 VanDerWaalsContact O-CE1 3.32Å; A207-H240 PolarHBondContact O-ND1 3.05Å; F209-H240 HydrophobicContact CE2-CB 3.75Å; F209-H240 AromaticContact CE2-CG 3.84Å; F209-H240 AromaticContact CE2-ND1 3.75Å; F209-H240 HydrophobicContact CZ-CB 3.58Å; F209-H240 AromaticContact CZ-CD2 3.92Å; F209-H240 AromaticContact CZ-CG 3.42Å; F209-H240 VanDerWaalsContact CZ-CG 3.42Å; F209-H240 AromaticContact CZ-ND1 3.59Å; C220-H240 PolarHBondContact SG-CE1 2.68Å; A236-H240 VanDerWaalsContact O-CB 3.29Å; A236-H240 WeakPolarHBondContact O-CB 3.19Å; A236-H240 PolarHBondContact O-N 3.22Å; H240-Y244 CarbonylContact O-C 3.18Å; H240-Y244 WeakPolarHBondContact O-CA 3.31Å; H240-Y244 PolarHBondContact O-N 2.67Å; H240-C247 PolarHBondContact NE2-SG 3.34Å; H240-V250 HydrophobicContact CB-CG2 4.18Å; H240-V250 VanDerWaalsContact CD2-CG2 3.47Å; H240-V250 WeakPolarHBondContact CD2-CG2 3.23Å; H240-V250 VanDerWaalsContact CG-CG2 3.46Å
241	Q	87.1	Confident	81.6	Confident	88 Å²	88	76.9 Å²	76.9	41%	0.411	38%	0.384	S	S	.	.	H	α-helix	trans	-70.1	-35.7	177.1	177.1	60.6	92.8	0	0	112.8	V237 S238 E239 P245 V250	V237-Q241 WeakPolarHBondContact O-CB 3.39Å; V237-Q241 PolarHBondContact O-N 3.35Å; S238-Q241 PolarHBondContact O-N 2.69Å; E239-Q241 VanDerWaalsContact C-N 3.35Å; E239-Q241 PolarHBondContact O-N 2.73Å; Q241-P245 VanDerWaalsContact NE2-CA 3.33Å; Q241-P245 WeakPolarHBondContact O-CA 3.14Å; Q241-P245 WeakPolarHBondContact O-CB 3.5Å; Q241-V250 HydrophobicContact CB-CG1 3.8Å; Q241-V250 HydrophobicContact CG-CG1 4.26Å; Q241-V250 VanDerWaalsContact OE1-CG1 3.32Å
242	R	84.9	Confident	80.8	Confident	169 Å²	169	73 Å²	73	64%	0.638	38%	0.38	S	S	*	.	H	α-helix	trans	-67.8	-50.2	177.7	-177.4	-174.2	-71.8	163.6	-6	111.6	S238 E239	S238-R242 WeakPolarHBondContact O-CB 3.29Å; S238-R242 PolarHBondContact O-N 3.16Å; E239-R242 PolarHBondContact O-N 2.98Å; E239-R242 IonicContact OE1-CZ 2.66Å; E239-R242 IonicContact OE1-NE 3.72Å; E239-R242 IonicContact OE1-NH1 3.66Å; E239-R242 PolarHBondContact OE1-NH1 3.29Å; E239-R242 VanDerWaalsContact OE1-NH1 3.07Å; E239-R242 IonicContact OE1-NH2 3.47Å; E239-R242 VanDerWaalsContact OE2-CD 3.29Å; E239-R242 WeakPolarHBondContact OE2-CD 3.48Å; E239-R242 IonicContact OE2-CZ 3.64Å; E239-R242 VanDerWaalsContact OE2-CZ 3.26Å; E239-R242 IonicContact OE2-NE 3.81Å; E239-R242 PolarHBondContact OE2-NE 3.19Å; E239-R242 IonicContact OE2-NH1 2.71Å; E239-R242 PolarHBondContact OE2-NH1 2.98Å
243	H	80.6	Confident	80.5	Confident	109 Å²	109	71.1 Å²	71.1	51%	0.505	36%	0.363	S	S	.	.	H	α-helix	trans	-88.3	-28.9	-172.7	-71.4	-86.9	0	0	0	113.9	L227 E239 P245	L227-H243 HydrophobicContact CD2-CB 3.88Å; E239-H243 WeakPolarHBondContact O-CB 3.28Å; E239-H243 PolarHBondContact O-CD2 3.16Å; E239-H243 PolarHBondContact O-N 3.33Å; E239-H243 IonicContact OE2-CD2 3.25Å; E239-H243 IonicContact OE2-NE2 3.82Å; H243-P245 VanDerWaalsContact C-CD 3.45Å
244	Y	83.7	Confident	80.1	Confident	85 Å²	85	73.4 Å²	73.4	33%	0.333	35%	0.35	S	S	.	.			trans	-130.5	58.5	-179	-59.2	-74.8	0	0	0	112.9	G225 Q226 L227 H240 N246 C247	G225-Y244 VanDerWaalsContact CA-CE2 3.47Å; Q226-Y244 PolarHBondContact N-OH 2.83Å; Q226-Y244 PolarHBondContact O-OH 3.01Å; Q226-Y244 VanDerWaalsContact O-OH 3.13Å; L227-Y244 HydrophobicContact CD2-CE2 4.06Å; L227-Y244 HydrophobicContact CG-CE2 4.36Å; H240-Y244 CarbonylContact O-C 3.18Å; H240-Y244 WeakPolarHBondContact O-CA 3.31Å; H240-Y244 PolarHBondContact O-N 2.67Å; Y244-N246 PolarHBondContact O-N 3.38Å; Y244-C247 VanDerWaalsContact O-CB 3.23Å; Y244-C247 WeakPolarHBondContact O-CB 3.37Å; Y244-C247 PolarHBondContact O-N 2.81Å
245	P	80.5	Confident	79	Confident	63 Å²	63	75.8 Å²	75.8	41%	0.409	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	-173.2	24.1	-35.4	0	0	0	115.4	Q241 H243 R251	Q241-P245 VanDerWaalsContact NE2-CA 3.33Å; Q241-P245 WeakPolarHBondContact O-CA 3.14Å; Q241-P245 WeakPolarHBondContact O-CB 3.5Å; H243-P245 VanDerWaalsContact C-CD 3.45Å; P245-R251 WeakPolarHBondContact O-CD 3.29Å; P245-R251 WeakPolarHBondContact O-CG 3.2Å
246	N	76.9	Confident	77.9	Confident	127 Å²	127	71 Å²	71	68%	0.679	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	5.5	175.8	-74.3	-51.2	0	0	0	114.2	Y244 R248 R251	Y244-N246 PolarHBondContact O-N 3.38Å; N246-R248 PolarHBondContact O-N 3.39Å; N246-R251 PolarHBondContact OD1-NH1 3.41Å
247	C	82.3	Confident	77.3	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.02	37%	0.366	C	S	.	.			trans	-64	125.8	176	-179	0	0	0	0	111.5	C223 H240 Y244 F249 V250 R251	C223-C247 HydrophobicContact CB-CB 3.91Å; H240-C247 PolarHBondContact NE2-SG 3.34Å; Y244-C247 VanDerWaalsContact O-CB 3.23Å; Y244-C247 WeakPolarHBondContact O-CB 3.37Å; Y244-C247 PolarHBondContact O-N 2.81Å; C247-F249 PolarHBondContact O-N 3.41Å; C247-V250 HydrophobicContact CB-CB 4.07Å; C247-V250 HydrophobicContact CB-CG2 3.78Å; C247-V250 PolarHBondContact O-N 2.85Å; C247-R251 WeakPolarHBondContact O-CB 3.45Å; C247-R251 WeakPolarHBondContact O-CG 3.41Å; C247-R251 PolarHBondContact O-N 3.31Å
248	R	77.9	Confident	76.8	Confident	106 Å²	106	72 Å²	72	40%	0.4	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-44.7	-179.2	-80.4	-165.8	-98.8	117.9	3.9	112.4	T175 N246 V250 R251 G252 D253	T175-R248 PolarHBondContact O-NH1 3.18Å; T175-R248 PolarHBondContact O-NH2 3.32Å; N246-R248 PolarHBondContact O-N 3.39Å; R248-V250 VanDerWaalsContact C-N 3.32Å; R248-V250 PolarHBondContact O-N 3Å; R248-R251 CarbonylContact O-C 3.53Å; R248-R251 PolarHBondContact O-N 2.97Å; R248-G252 PolarHBondContact O-N 3.34Å; R248-D253 CarbonylContact C-O 3.56Å; R248-D253 HydrophobicContact CB-CB 4.08Å; R248-D253 VanDerWaalsContact CD-OD2 3.32Å; R248-D253 WeakPolarHBondContact CD-OD2 3.39Å; R248-D253 PolarHBondContact O-N 2.97Å
249	F	79.6	Confident	76	Confident	11 Å²	11	71.3 Å²	71.3	5%	0.048	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-39.9	175.4	176.7	-96.2	0	0	0	113.7	K206 A207 F221 C247 D253 N257	K206-F249 WeakPolarHBondContact O-CZ 3.45Å; A207-F249 VanDerWaalsContact C-CE1 3.46Å; A207-F249 WeakPolarHBondContact O-CE1 3.43Å; F221-F249 AromaticContact CE1-CD2 3.74Å; F221-F249 HydrophobicContact CE1-CD2 3.74Å; F221-F249 HydrophobicContact CE1-CE2 4.02Å; F221-F249 HydrophobicContact CE1-CG 4.14Å; F221-F249 AromaticContact CZ-CD2 3.77Å; F221-F249 HydrophobicContact CZ-CD2 3.77Å; F221-F249 HydrophobicContact CZ-CE2 4.31Å; F221-F249 HydrophobicContact CZ-CG 4.35Å; C247-F249 PolarHBondContact O-N 3.41Å; F249-D253 WeakPolarHBondContact CA-O 3.08Å; F249-N257 HydrophobicContact CD2-CB 4.09Å; F249-N257 HydrophobicContact CE2-CB 3.87Å
250	V	80.6	Confident	74.8	Confident	30 Å²	30	74.1 Å²	74.1	18%	0.182	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-38.5	178	-177.5	0	0	0	0	111	H240 Q241 C247 R248 G252	H240-V250 HydrophobicContact CB-CG2 4.18Å; H240-V250 VanDerWaalsContact CD2-CG2 3.47Å; H240-V250 WeakPolarHBondContact CD2-CG2 3.23Å; H240-V250 VanDerWaalsContact CG-CG2 3.46Å; Q241-V250 HydrophobicContact CB-CG1 3.8Å; Q241-V250 HydrophobicContact CG-CG1 4.26Å; Q241-V250 VanDerWaalsContact OE1-CG1 3.32Å; C247-V250 HydrophobicContact CB-CB 4.07Å; C247-V250 HydrophobicContact CB-CG2 3.78Å; C247-V250 PolarHBondContact O-N 2.85Å; R248-V250 VanDerWaalsContact C-N 3.32Å; R248-V250 PolarHBondContact O-N 3Å; V250-G252 PolarHBondContact O-N 3.29Å; V250-G252 VanDerWaalsContact O-N 3.09Å
251	R	78.8	Confident	73.2	Confident	174 Å²	174	80.2 Å²	80.2	66%	0.657	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	9.3	175.8	-70.1	-178.3	59.6	168.4	-2.7	114.5	P245 N246 C247 R248	P245-R251 WeakPolarHBondContact O-CD 3.29Å; P245-R251 WeakPolarHBondContact O-CG 3.2Å; N246-R251 PolarHBondContact OD1-NH1 3.41Å; C247-R251 WeakPolarHBondContact O-CB 3.45Å; C247-R251 WeakPolarHBondContact O-CG 3.41Å; C247-R251 PolarHBondContact O-N 3.31Å; R248-R251 CarbonylContact O-C 3.53Å; R248-R251 PolarHBondContact O-N 2.97Å
252	G	64.6	Low	71.2	Confident	53 Å²	53	78.3 Å²	78.3	55%	0.546	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-4.2	174.4	0	0	0	0	0	115.8	R248 V250 R254	R248-G252 PolarHBondContact O-N 3.34Å; V250-G252 PolarHBondContact O-N 3.29Å; V250-G252 VanDerWaalsContact O-N 3.09Å; G252-R254 PolarHBondContact O-N 3.44Å; G252-R254 VanDerWaalsContact O-N 3.07Å
253	D	68.9	Low	69	Low	74 Å²	74	75.1 Å²	75.1	40%	0.396	43%	0.433	S	S	.	.			trans	-77.9	94.3	171.4	174.3	19.9	0	0	0	109.6	R248 F249 A255	R248-D253 CarbonylContact C-O 3.56Å; R248-D253 HydrophobicContact CB-CB 4.08Å; R248-D253 VanDerWaalsContact CD-OD2 3.32Å; R248-D253 WeakPolarHBondContact CD-OD2 3.39Å; R248-D253 PolarHBondContact O-N 2.97Å; F249-D253 WeakPolarHBondContact CA-O 3.08Å; D253-A255 PolarHBondContact OD1-N 2.84Å
254	R	64.9	Low	66.8	Low	116 Å²	116	74.4 Å²	74.4	44%	0.438	45%	0.447	S	S	.	.			trans	-103.4	12	-175.8	-60.7	179.4	74.3	87.6	-3.5	113.3	G252 D256 N257	G252-R254 PolarHBondContact O-N 3.44Å; G252-R254 VanDerWaalsContact O-N 3.07Å; R254-D256 PolarHBondContact O-N 3.05Å; R254-D256 VanDerWaalsContact O-N 3.11Å; R254-N257 PolarHBondContact O-N 3.49Å
255	A	58.6	Low	64.4	Low	95 Å²	95	74.1 Å²	74.1	79%	0.785	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.8	-173.9	0	0	0	0	0	113.9	D253	D253-A255 PolarHBondContact OD1-N 2.84Å
256	D	59.6	Low	61.9	Low	40 Å²	40	77.7 Å²	77.7	21%	0.214	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.3	177	-92.1	-52.9	0	0	0	114.7	R182 F221 R254	R182-D256 WeakPolarHBondContact CB-O 3.33Å; R182-D256 VanDerWaalsContact CD-O 3.31Å; R182-D256 WeakPolarHBondContact CD-O 3.47Å; R182-D256 WeakPolarHBondContact CD-OD1 3.08Å; R182-D256 HydrophobicContact CG-CB 4.33Å; R182-D256 WeakPolarHBondContact CG-O 3.19Å; R182-D256 IonicContact CZ-OD1 2.74Å; R182-D256 IonicContact NE-OD1 3.57Å; R182-D256 IonicContact NH1-OD1 3.21Å; R182-D256 PolarHBondContact NH1-OD1 3.25Å; F221-D256 HydrophobicContact CE2-CB 4.23Å; R254-D256 PolarHBondContact O-N 3.05Å; R254-D256 VanDerWaalsContact O-N 3.11Å
257	N	69.9	Low	59.8	Low	16 Å²	16	78 Å²	78	9%	0.086	50%	0.497	C	S	.	.			trans	-104.8	114.7	-174	-179.3	86.7	0	0	0	113.7	R187 F221 F249 R254 S259	R187-N257 PolarHBondContact NH1-OD1 3.25Å; R187-N257 VanDerWaalsContact NH1-OD1 3.12Å; R187-N257 PolarHBondContact NH2-OD1 3.19Å; F221-N257 HydrophobicContact CZ-CB 3.91Å; F249-N257 HydrophobicContact CD2-CB 4.09Å; F249-N257 HydrophobicContact CE2-CB 3.87Å; R254-N257 PolarHBondContact O-N 3.49Å; N257-S259 PolarHBondContact ND2-N 2.9Å; N257-S259 PolarHBondContact ND2-OG 2.91Å; N257-S259 PolarHBondContact O-N 3.35Å
258	V	73.9	Confident	57.4	Low	81 Å²	81	83.4 Å²	83.4	49%	0.491	53%	0.534	S	S	.	.	B	Isolated β-bridge	trans	-91.2	102.9	170.7	-179.4	0	0	0	0	109.4	R182 R183 E184	R182-V258 PolarHBondContact O-N 2.89Å; R183-V258 WeakPolarHBondContact CA-O 3.44Å; R183-V258 HydrophobicContact CG-CB 3.88Å; R183-V258 HydrophobicContact CG-CG1 4.06Å; R183-V258 HydrophobicContact CG-CG2 4.43Å; E184-V258 PolarHBondContact N-O 3.48Å
259	S	67.1	Low	55.1	Low	42 Å²	42	86.6 Å²	86.6	29%	0.294	56%	0.558	S	S	.	*			trans	-77.8	156.6	-180	-41.1	0	0	0	0	112.5	E184 N257 S261 G262	E184-S259 WeakPolarHBondContact OE2-CA 3.45Å; E184-S259 WeakPolarHBondContact OE2-CB 3.44Å; N257-S259 PolarHBondContact ND2-N 2.9Å; N257-S259 PolarHBondContact ND2-OG 2.91Å; N257-S259 PolarHBondContact O-N 3.35Å; S259-S261 VanDerWaalsContact C-N 3.33Å; S259-S261 PolarHBondContact O-N 3.33Å; S259-G262 WeakPolarHBondContact O-CA 3.47Å; S259-G262 PolarHBondContact O-N 3.26Å
260	L	61.8	Low	53.1	Low	74 Å²	74	90.1 Å²	90.1	39%	0.387	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-59.2	-37.7	-178.5	-71.2	174.8	0	0	0	113.8	E184 Q185 G262	E184-L260 HydrophobicContact CB-CD2 4.42Å; E184-L260 HydrophobicContact CB-CG 3.98Å; E184-L260 HydrophobicContact CG-CD1 4.13Å; E184-L260 HydrophobicContact CG-CG 3.81Å; E184-L260 PolarHBondContact OE2-N 3.48Å; Q185-L260 HydrophobicContact CB-CD2 3.76Å; Q185-L260 VanDerWaalsContact OE1-CD2 3.27Å; L260-G262 PolarHBondContact O-N 2.89Å
261	S	55.9	Low	50.6	Low	128 Å²	128	95.5 Å²	95.5	90%	0.895	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-78.3	2.8	175.2	-49.9	0	0	0	0	114.2	S259	S259-S261 VanDerWaalsContact C-N 3.33Å; S259-S261 PolarHBondContact O-N 3.33Å
262	G	43.9	Very low	48.6	Very low	48 Å²	48	93 Å²	93	50%	0.495	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-92.6	1.8	-169.8	0	0	0	0	0	116	S259 L260 A264	S259-G262 WeakPolarHBondContact O-CA 3.47Å; S259-G262 PolarHBondContact O-N 3.26Å; L260-G262 PolarHBondContact O-N 2.89Å; G262-A264 PolarHBondContact O-N 3.06Å
263	A	39.8	Very low	47	Very low	102 Å²	102	96.3 Å²	96.3	84%	0.843	64%	0.642	S	S	*	*			trans	-77	33.8	-172.8	0	0	0	0	0	114.9
264	A	34.5	Very low	45.7	Very low	95 Å²	95	101.6 Å²	101.6	79%	0.785	66%	0.664	S	S	*	*	S	Bend	trans	-154.1	100.5	176.4	0	0	0	0	0	111.5	G262	G262-A264 PolarHBondContact O-N 3.06Å
265	G	31.7	Very low	44	Very low	78 Å²	78	102.8 Å²	102.8	80%	0.804	68%	0.683	S	S	*	*			trans	147.8	47.1	161.3	0	0	0	0	0	121.1
266	T	29.3	Very low	42.9	Very low	139 Å²	139	104.2 Å²	104.2	85%	0.853	69%	0.685	S	S	*	*	S	Bend	trans	-138.6	122.3	148.9	42.1	0	0	0	0	112.2
267	V	32.8	Very low	41.8	Very low	134 Å²	134	107.4 Å²	107.4	81%	0.812	72%	0.717	S	S	*	*	S	Bend	trans	70	84.6	166.1	-161.9	0	0	0	0	118.9
268	S	30.5	Very low	40	Very low	115 Å²	115	110.6 Å²	110.6	80%	0.804	75%	0.754	S	S	*	*				75	126.8	125.1	-55.1	0	0	0	0	124.6
269	L	29.7	Very low	38.1	Very low	174 Å²	174	111 Å²	111	91%	0.911	77%	0.765	S	S	*	*			trans	109.6	117.7	132.6	-155.9	65.1	0	0	0	119.8
270	A	38.8	Very low	36.9	Very low	84 Å²	84	113.9 Å²	113.9	69%	0.694	78%	0.783	S	S	*	*			trans	-7.7	133	168.5	0	0	0	0	0	122
271	T	26.9	Very low	36.4	Very low	144 Å²	144	114.4 Å²	114.4	88%	0.883	80%	0.798	S	S	*	*			trans	-151.7	146.4	130.8	-74.9	0	0	0	0	109.7
272	T	37.8	Very low	36.5	Very low	122 Å²	122	110.1 Å²	110.1	75%	0.748	77%	0.765	S	S	*	*			trans	-79.2	134.1	-171.3	-48.2	0	0	0	0	113.8
273	S	31.6	Very low	37.1	Very low	122 Å²	122	113.9 Å²	113.9	85%	0.853	78%	0.778	S	S	*	*			trans	-162	151.9	150.5	-84.3	0	0	0	0	111.1
274	Q	40.3	Very low	38.1	Very low	184 Å²	184	113.1 Å²	113.1	86%	0.86	77%	0.767	S	S	*	*			trans	-113.5	119.8	-165.9	-63.6	169.1	-28.1	0	0	112.7
275	V	29.2	Very low	40.2	Very low	141 Å²	141	110.1 Å²	110.1	86%	0.855	74%	0.739	S	S	*	*			trans	-145.5	138.2	159.6	-178.1	0	0	0	0	106.6
276	P	36.8	Very low	42.5	Very low	125 Å²	125	109.6 Å²	109.6	81%	0.812	72%	0.723	S	S	*	*			trans	-82.6	159.5	-157.4	31	-36.9	0	0	0	116.4
277	A	35.8	Very low	44.8	Very low	108 Å²	108	104.8 Å²	104.8	89%	0.893	69%	0.692	S	S	*	*			trans	-81	159.1	176.8	0	0	0	0	0	113.4
278	G	32	Very low	47.2	Very low	83 Å²	83	102.5 Å²	102.5	86%	0.856	68%	0.68	S	S	*	*			trans	-166.4	12.9	-177.3	0	0	0	0	0	118.2
279	A	33.4	Very low	49.5	Very low	88 Å²	88	100.6 Å²	100.6	73%	0.727	67%	0.666	S	S	*	*			trans	-146	129.6	174.5	0	0	0	0	0	111.2
280	P	41.7	Very low	52.2	Low	103 Å²	103	94 Å²	94	67%	0.669	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-76.5	134.8	171.9	31.6	-32.6	0	0	0	110.5	Q362	P280-Q362 PolarHBondContact O-NE2 3.42Å
281	A	52.7	Low	54.3	Low	86 Å²	86	94 Å²	94	71%	0.711	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-76.7	138.7	164	0	0	0	0	0	109.2	T283	A281-T283 PolarHBondContact O-N 2.97Å
282	L	57	Low	57.1	Low	38 Å²	38	92.7 Å²	92.7	20%	0.199	60%	0.601	C	S	.	*	P	Polyproline II helix	trans	-57.3	123.7	175.3	-68.1	169.1	0	0	0	109.9	V285 F331 E358 Y359	L282-V285 HydrophobicContact CB-CG1 3.8Å; L282-V285 HydrophobicContact CD1-CG1 3.85Å; L282-V285 HydrophobicContact CG-CG1 4.45Å; L282-F331 HydrophobicContact CD1-CE2 4.25Å; L282-F331 HydrophobicContact CD1-CZ 4.24Å; L282-E358 HydrophobicContact CD2-CB 3.52Å; L282-Y359 HydrophobicContact CD1-CD2 4.31Å
283	T	57	Low	59.3	Low	126 Å²	126	88.7 Å²	88.7	77%	0.773	58%	0.578	S	S	*	*	S	Bend	trans	-84.5	-22.3	-168.8	31.2	0	0	0	0	113.6	A281 E358	A281-T283 PolarHBondContact O-N 2.97Å; T283-E358 PolarHBondContact N-OE2 3.41Å; T283-E358 PolarHBondContact OG1-OE1 3.23Å
284	S	61.8	Low	61.8	Low	86 Å²	86	88.9 Å²	88.9	60%	0.601	57%	0.569	S	S	*	*			trans	-149.5	93.7	175.9	-159.6	0	0	0	0	112.1	E358	S284-E358 PolarHBondContact N-OE2 3.32Å
285	V	77.2	Confident	63.8	Low	32 Å²	32	84 Å²	84	19%	0.194	55%	0.547	C	S	.	.			trans	-94.6	123.3	173.3	-70.6	0	0	0	0	111	L282 N287 P288 F331	L282-V285 HydrophobicContact CB-CG1 3.8Å; L282-V285 HydrophobicContact CD1-CG1 3.85Å; L282-V285 HydrophobicContact CG-CG1 4.45Å; V285-N287 PolarHBondContact O-N 3.31Å; V285-P288 HydrophobicContact CG2-CB 4.44Å; V285-P288 HydrophobicContact CG2-CG 4.15Å; V285-F331 HydrophobicContact CB-CD2 4.33Å; V285-F331 HydrophobicContact CB-CE2 4.38Å; V285-F331 HydrophobicContact CG1-CD2 4.19Å; V285-F331 HydrophobicContact CG1-CE2 3.75Å
286	S	79.5	Confident	66.8	Low	68 Å²	68	77.4 Å²	77.4	48%	0.476	51%	0.506	S	S	.	.	S	Bend	trans	-64.6	-23.8	-176.7	-63.8	0	0	0	0	114.5	F331 C332	S286-F331 CarbonylContact C-O 3.53Å; S286-F331 PolarHBondContact N-O 2.82Å; S286-F331 VanDerWaalsContact N-O 3.13Å; S286-C332 WeakPolarHBondContact CB-O 3.24Å; S286-C332 PolarHBondContact N-O 3.06Å; S286-C332 PolarHBondContact OG-O 3.27Å
287	N	78.9	Confident	69.2	Low	37 Å²	37	74.3 Å²	74.3	20%	0.198	48%	0.483	C	S	.	.			trans	-144.5	95.3	175.4	-172	0.4	0	0	0	111.4	V285 S289 M290 Y320 F331	V285-N287 PolarHBondContact O-N 3.31Å; N287-S289 VanDerWaalsContact C-N 3.33Å; N287-S289 PolarHBondContact O-N 3.44Å; N287-S289 PolarHBondContact OD1-N 2.88Å; N287-S289 PolarHBondContact OD1-OG 2.96Å; N287-S289 VanDerWaalsContact OD1-OG 3.08Å; N287-M290 VanDerWaalsContact ND2-CG 3.35Å; N287-M290 WeakPolarHBondContact ND2-CG 3.4Å; N287-M290 PolarHBondContact O-N 3.36Å; N287-Y320 PolarHBondContact ND2-OH 3.43Å; N287-F331 PolarHBondContact N-O 3.25Å
288	P	81.8	Confident	71.6	Confident	86 Å²	86	73.9 Å²	73.9	56%	0.558	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-61	-32.8	-178.7	-24.3	33	0	0	0	114.9	V285 M290 Q291	V285-P288 HydrophobicContact CG2-CB 4.44Å; V285-P288 HydrophobicContact CG2-CG 4.15Å; P288-M290 PolarHBondContact O-N 2.97Å; P288-M290 VanDerWaalsContact O-N 3.17Å; P288-Q291 VanDerWaalsContact O-CB 3.24Å; P288-Q291 WeakPolarHBondContact O-CB 3.46Å; P288-Q291 PolarHBondContact O-N 3.4Å
289	S	80.1	Confident	74.2	Confident	75 Å²	75	71.5 Å²	71.5	52%	0.524	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-79	7.8	-178.6	61	0	0	0	0	114.3	N287	N287-S289 VanDerWaalsContact C-N 3.33Å; N287-S289 PolarHBondContact O-N 3.44Å; N287-S289 PolarHBondContact OD1-N 2.88Å; N287-S289 PolarHBondContact OD1-OG 2.96Å; N287-S289 VanDerWaalsContact OD1-OG 3.08Å
290	M	85.9	Confident	76.8	Confident	36 Å²	36	68 Å²	68	18%	0.177	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-122.7	17.8	171.7	-67.9	-67.5	145	0	0	111.2	N287 P288 R296 T299 Y320 F331	N287-M290 VanDerWaalsContact ND2-CG 3.35Å; N287-M290 WeakPolarHBondContact ND2-CG 3.4Å; N287-M290 PolarHBondContact O-N 3.36Å; P288-M290 PolarHBondContact O-N 2.97Å; P288-M290 VanDerWaalsContact O-N 3.17Å; M290-R296 HydrophobicContact CB-CG 4.13Å; M290-R296 VanDerWaalsContact O-CD 3.24Å; M290-R296 WeakPolarHBondContact O-CD 3.05Å; M290-R296 WeakPolarHBondContact O-CG 3.31Å; M290-R296 PolarHBondContact O-NH1 2.89Å; M290-R296 HydrophobicContact SD-CG 4.37Å; M290-T299 HydrophobicContact CE-CG2 3.83Å; M290-T299 HydrophobicContact SD-CG2 3.68Å; M290-Y320 HydrophobicContact CB-CD1 3.76Å; M290-Y320 HydrophobicContact CB-CE1 4.08Å; M290-Y320 HydrophobicContact CB-CG 4.22Å; M290-Y320 HydrophobicContact CG-CD1 3.74Å; M290-Y320 HydrophobicContact CG-CD2 4.07Å; M290-Y320 HydrophobicContact CG-CE1 3.96Å; M290-Y320 HydrophobicContact CG-CE2 4.27Å; M290-Y320 HydrophobicContact CG-CG 3.79Å; M290-Y320 HydrophobicContact SD-CD1 4.37Å; M290-Y320 HydrophobicContact SD-CD2 4.07Å; M290-Y320 HydrophobicContact SD-CG 3.86Å; M290-F331 HydrophobicContact CB-CB 3.62Å; M290-F331 VanDerWaalsContact O-CB 3.25Å; M290-F331 WeakPolarHBondContact O-CB 3.39Å; M290-F331 VanDerWaalsContact O-CG 3.27Å; M290-F331 WeakPolarHBondContact O-CG 3.25Å
291	Q	84.1	Confident	78.6	Confident	85 Å²	85	68.4 Å²	68.4	40%	0.397	40%	0.403	S	S	.	.			trans	-72.4	-34.3	-178.2	-176.7	170.7	-3.6	0	0	112.6	P288 R296 F331	P288-Q291 VanDerWaalsContact O-CB 3.24Å; P288-Q291 WeakPolarHBondContact O-CB 3.46Å; P288-Q291 PolarHBondContact O-N 3.4Å; Q291-R296 VanDerWaalsContact C-NH1 3.28Å; Q291-R296 PolarHBondContact O-NH1 3.21Å; Q291-F331 HydrophobicContact CB-CD2 4.16Å; Q291-F331 HydrophobicContact CB-CE2 4.12Å; Q291-F331 HydrophobicContact CG-CD2 4.46Å; Q291-F331 HydrophobicContact CG-CE2 3.91Å
292	Q	83.8	Confident	79.8	Confident	115 Å²	115	70.4 Å²	70.4	54%	0.537	40%	0.402	S	S	.	.	S	Bend	trans	-80.9	138.3	176.2	-52.5	-58.1	-25.9	0	0	111.4	D294 E295 R296	Q292-D294 PolarHBondContact O-N 3.04Å; Q292-E295 HydrophobicContact CB-CB 4.27Å; Q292-E295 HydrophobicContact CB-CG 3.92Å; Q292-E295 VanDerWaalsContact CB-OE2 3.27Å; Q292-E295 WeakPolarHBondContact CB-OE2 3.29Å; Q292-E295 HydrophobicContact CG-CG 4.44Å; Q292-E295 VanDerWaalsContact CG-OE2 3.31Å; Q292-E295 WeakPolarHBondContact CG-OE2 3.42Å; Q292-E295 PolarHBondContact N-OE2 2.93Å; Q292-E295 PolarHBondContact O-N 3.37Å; Q292-R296 PolarHBondContact O-N 3.26Å; Q292-R296 VanDerWaalsContact O-N 3.15Å
293	S	85.5	Confident	81	Confident	39 Å²	39	70 Å²	70	27%	0.273	40%	0.398	S	S	.	.	H	α-helix	trans	-64	-28.3	179.4	-168.1	0	0	0	0	112.9	L297 A315	S293-L297 WeakPolarHBondContact O-CB 3.1Å; S293-L297 PolarHBondContact O-N 2.87Å; S293-A315 PolarHBondContact OG-O 2.89Å
294	D	83.1	Confident	81.9	Confident	125 Å²	125	65.9 Å²	65.9	67%	0.668	37%	0.373	S	S	*	.	H	α-helix	trans	-72.8	-40.1	178.1	-62.9	-19.1	0	0	0	111.4	Q292 R296 L297 L298	Q292-D294 PolarHBondContact O-N 3.04Å; D294-R296 VanDerWaalsContact C-N 3.32Å; D294-R296 PolarHBondContact O-N 2.67Å; D294-L297 PolarHBondContact O-N 3.14Å; D294-L298 WeakPolarHBondContact O-CG 3.11Å; D294-L298 PolarHBondContact O-N 3.11Å
295	E	83.8	Confident	82.4	Confident	82 Å²	82	68 Å²	68	38%	0.383	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-42.7	173.6	-67.1	170.7	150.8	0	0	110.7	Q292 L298	Q292-E295 HydrophobicContact CB-CB 4.27Å; Q292-E295 HydrophobicContact CB-CG 3.92Å; Q292-E295 VanDerWaalsContact CB-OE2 3.27Å; Q292-E295 WeakPolarHBondContact CB-OE2 3.29Å; Q292-E295 HydrophobicContact CG-CG 4.44Å; Q292-E295 VanDerWaalsContact CG-OE2 3.31Å; Q292-E295 WeakPolarHBondContact CG-OE2 3.42Å; Q292-E295 PolarHBondContact N-OE2 2.93Å; Q292-E295 PolarHBondContact O-N 3.37Å; E295-L298 PolarHBondContact O-N 3.11Å
296	R	90.6	Very high	82.1	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.008	41%	0.408	C	S	.	.	H	α-helix	trans	-61.8	-45.4	172.2	-62.7	-164.9	-66.7	-84.9	4.7	111.7	M290 Q291 Q292 D294 L298 T299 F300 A315 G318 F331	M290-R296 HydrophobicContact CB-CG 4.13Å; M290-R296 VanDerWaalsContact O-CD 3.24Å; M290-R296 WeakPolarHBondContact O-CD 3.05Å; M290-R296 WeakPolarHBondContact O-CG 3.31Å; M290-R296 PolarHBondContact O-NH1 2.89Å; M290-R296 HydrophobicContact SD-CG 4.37Å; Q291-R296 VanDerWaalsContact C-NH1 3.28Å; Q291-R296 PolarHBondContact O-NH1 3.21Å; Q292-R296 PolarHBondContact O-N 3.26Å; Q292-R296 VanDerWaalsContact O-N 3.15Å; D294-R296 VanDerWaalsContact C-N 3.32Å; D294-R296 PolarHBondContact O-N 2.67Å; R296-L298 VanDerWaalsContact C-N 3.28Å; R296-L298 PolarHBondContact O-N 3.44Å; R296-T299 WeakPolarHBondContact O-CB 3.19Å; R296-T299 PolarHBondContact O-N 3.24Å; R296-T299 PolarHBondContact O-OG1 3.47Å; R296-F300 VanDerWaalsContact O-CD2 3.24Å; R296-F300 WeakPolarHBondContact O-CD2 3.37Å; R296-A315 HydrophobicContact CB-CB 4.22Å; R296-A315 VanDerWaalsContact CZ-O 3.29Å; R296-A315 PolarHBondContact NE-O 3.15Å; R296-A315 PolarHBondContact NH2-O 2.99Å; R296-G318 WeakPolarHBondContact CD-O 3.49Å; R296-F331 VanDerWaalsContact NH1-CD1 3.27Å; R296-F331 VanDerWaalsContact NH1-CE1 3.33Å
297	L	88.4	Confident	81.9	Confident	61 Å²	61	72.2 Å²	72.2	32%	0.319	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-35.1	-179.5	-170.5	60.8	0	0	0	112.2	S293 D294 T299 F300 P311 E312 A315	S293-L297 WeakPolarHBondContact O-CB 3.1Å; S293-L297 PolarHBondContact O-N 2.87Å; D294-L297 PolarHBondContact O-N 3.14Å; L297-T299 PolarHBondContact O-N 3.11Å; L297-F300 PolarHBondContact O-N 3.38Å; L297-F300 VanDerWaalsContact O-N 3.15Å; L297-P311 HydrophobicContact CD1-CB 3.82Å; L297-E312 HydrophobicContact CD1-CG 4.22Å; L297-A315 HydrophobicContact CB-CB 4.13Å; L297-A315 HydrophobicContact CD1-CB 4.2Å
298	L	86	Confident	81.5	Confident	98 Å²	98	73.6 Å²	73.6	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-62.6	-22.1	173.7	-70.7	173.2	0	0	0	113.8	D294 E295 R296 F300 V301	D294-L298 WeakPolarHBondContact O-CG 3.11Å; D294-L298 PolarHBondContact O-N 3.11Å; E295-L298 PolarHBondContact O-N 3.11Å; R296-L298 VanDerWaalsContact C-N 3.28Å; R296-L298 PolarHBondContact O-N 3.44Å; L298-F300 VanDerWaalsContact C-N 3.31Å; L298-F300 PolarHBondContact O-N 3.28Å; L298-V301 WeakPolarHBondContact O-CG2 3.14Å
299	T	85.2	Confident	81.5	Confident	34 Å²	34	69.8 Å²	69.8	21%	0.209	38%	0.377	C	S	.	.	H	α-helix	trans	-68.8	-29.8	174.4	67.5	0	0	0	0	112.7	M290 R296 L297 V301 Y320 Y321	M290-T299 HydrophobicContact CE-CG2 3.83Å; M290-T299 HydrophobicContact SD-CG2 3.68Å; R296-T299 WeakPolarHBondContact O-CB 3.19Å; R296-T299 PolarHBondContact O-N 3.24Å; R296-T299 PolarHBondContact O-OG1 3.47Å; L297-T299 PolarHBondContact O-N 3.11Å; T299-V301 PolarHBondContact O-N 2.67Å; T299-V301 VanDerWaalsContact O-N 3.12Å; T299-Y320 HydrophobicContact CG2-CD2 4.42Å; T299-Y321 WeakPolarHBondContact O-CD1 3.22Å; T299-Y321 PolarHBondContact OG1-N 3.42Å
300	F	88.4	Confident	81.7	Confident	13 Å²	13	74 Å²	74	6%	0.057	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-78.1	10.3	-173.1	-68.9	-89.7	0	0	0	115	R296 L297 L298 N302 W303 P311 L314 A315 Y321 V328	R296-F300 VanDerWaalsContact O-CD2 3.24Å; R296-F300 WeakPolarHBondContact O-CD2 3.37Å; L297-F300 PolarHBondContact O-N 3.38Å; L297-F300 VanDerWaalsContact O-N 3.15Å; L298-F300 VanDerWaalsContact C-N 3.31Å; L298-F300 PolarHBondContact O-N 3.28Å; F300-N302 PolarHBondContact O-N 3.07Å; F300-N302 VanDerWaalsContact O-N 3.11Å; F300-W303 HydrophobicContact CB-CB 4.16Å; F300-W303 HydrophobicContact CD1-CB 4.12Å; F300-W303 AromaticContact CD1-CD2 3.71Å; F300-W303 HydrophobicContact CD1-CD2 3.71Å; F300-W303 AromaticContact CD1-CE3 3.59Å; F300-W303 HydrophobicContact CD1-CE3 3.59Å; F300-W303 AromaticContact CD1-CG 3.97Å; F300-W303 HydrophobicContact CD1-CG 3.97Å; F300-W303 HydrophobicContact CD1-CZ3 4.2Å; F300-W303 HydrophobicContact CE1-CD2 4.1Å; F300-W303 AromaticContact CE1-CE3 3.75Å; F300-W303 HydrophobicContact CE1-CE3 3.75Å; F300-W303 HydrophobicContact CE1-CH2 4.32Å; F300-W303 AromaticContact CE1-CZ3 3.87Å; F300-W303 HydrophobicContact CE1-CZ3 3.87Å; F300-W303 VanDerWaalsContact O-CB 3.23Å; F300-W303 WeakPolarHBondContact O-CB 3.27Å; F300-W303 PolarHBondContact O-N 3.4Å; F300-P311 HydrophobicContact CB-CB 3.69Å; F300-P311 HydrophobicContact CB-CG 4.03Å; F300-P311 HydrophobicContact CD1-CB 4.02Å; F300-P311 HydrophobicContact CD1-CG 4.26Å; F300-P311 HydrophobicContact CD2-CB 4.29Å; F300-P311 HydrophobicContact CG-CB 3.76Å; F300-P311 HydrophobicContact CG-CG 4.31Å; F300-L314 HydrophobicContact CE1-CB 3.99Å; F300-L314 HydrophobicContact CE1-CD1 3.71Å; F300-L314 HydrophobicContact CE1-CG 4.48Å; F300-L314 HydrophobicContact CE2-CB 4.39Å; F300-L314 HydrophobicContact CZ-CB 3.6Å; F300-L314 HydrophobicContact CZ-CD1 4.22Å; F300-A315 HydrophobicContact CE2-CB 4.32Å; F300-Y321 HydrophobicContact CD1-CG 4.48Å; F300-V328 HydrophobicContact CE1-CG1 3.84Å; F300-V328 HydrophobicContact CZ-CG1 4.04Å
301	V	80.6	Confident	81.8	Confident	112 Å²	112	73.7 Å²	73.7	68%	0.679	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-54.8	-31.4	178.2	169.3	0	0	0	0	112.8	L298 T299	L298-V301 WeakPolarHBondContact O-CG2 3.14Å; T299-V301 PolarHBondContact O-N 2.67Å; T299-V301 VanDerWaalsContact O-N 3.12Å
302	N	77.9	Confident	82	Confident	129 Å²	129	73.8 Å²	73.8	69%	0.69	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-108.4	29.7	177	-65.6	-18.9	0	0	0	112.9	F300 Y321	F300-N302 PolarHBondContact O-N 3.07Å; F300-N302 VanDerWaalsContact O-N 3.11Å; N302-Y321 HydrophobicContact CB-CE1 4.13Å; N302-Y321 VanDerWaalsContact O-CE1 3.26Å; N302-Y321 WeakPolarHBondContact O-CE1 3.41Å; N302-Y321 PolarHBondContact O-OH 2.96Å
303	W	81.1	Confident	82.4	Confident	30 Å²	30	72.2 Å²	72.2	11%	0.114	38%	0.375	C	S	.	.			trans	-71.2	133.8	176.5	-172.6	-111.8	0	0	0	111.1	F300 S305 I307 V309 P311 L314 Y321 D326 V328	F300-W303 HydrophobicContact CB-CB 4.16Å; F300-W303 HydrophobicContact CD1-CB 4.12Å; F300-W303 AromaticContact CD1-CD2 3.71Å; F300-W303 HydrophobicContact CD1-CD2 3.71Å; F300-W303 AromaticContact CD1-CE3 3.59Å; F300-W303 HydrophobicContact CD1-CE3 3.59Å; F300-W303 AromaticContact CD1-CG 3.97Å; F300-W303 HydrophobicContact CD1-CG 3.97Å; F300-W303 HydrophobicContact CD1-CZ3 4.2Å; F300-W303 HydrophobicContact CE1-CD2 4.1Å; F300-W303 AromaticContact CE1-CE3 3.75Å; F300-W303 HydrophobicContact CE1-CE3 3.75Å; F300-W303 HydrophobicContact CE1-CH2 4.32Å; F300-W303 AromaticContact CE1-CZ3 3.87Å; F300-W303 HydrophobicContact CE1-CZ3 3.87Å; F300-W303 VanDerWaalsContact O-CB 3.23Å; F300-W303 WeakPolarHBondContact O-CB 3.27Å; F300-W303 PolarHBondContact O-N 3.4Å; W303-S305 PolarHBondContact O-N 3.27Å; W303-I307 HydrophobicContact CZ2-CB 4.23Å; W303-I307 HydrophobicContact CZ2-CG2 3.68Å; W303-V309 PolarHBondContact NE1-O 3.13Å; W303-P311 HydrophobicContact CB-CG 4.33Å; W303-P311 HydrophobicContact CG-CG 4.12Å; W303-L314 HydrophobicContact CH2-CD1 3.75Å; W303-L314 HydrophobicContact CZ2-CD1 3.39Å; W303-Y321 HydrophobicContact CE3-CD1 4.5Å; W303-Y321 AromaticContact CE3-CD2 3.59Å; W303-Y321 HydrophobicContact CE3-CD2 3.59Å; W303-Y321 AromaticContact CE3-CE2 3.86Å; W303-Y321 HydrophobicContact CE3-CE2 3.86Å; W303-Y321 AromaticContact CE3-CG 3.96Å; W303-Y321 HydrophobicContact CE3-CG 3.96Å; W303-Y321 AromaticContact CZ3-CD2 3.63Å; W303-Y321 HydrophobicContact CZ3-CD2 3.63Å; W303-Y321 HydrophobicContact CZ3-CE2 4Å; W303-Y321 HydrophobicContact CZ3-CG 4.33Å; W303-D326 HydrophobicContact CH2-CB 3.62Å; W303-D326 WeakPolarHBondContact CH2-O 3.35Å; W303-D326 HydrophobicContact CZ2-CB 4.16Å; W303-D326 VanDerWaalsContact CZ3-CA 3.46Å; W303-D326 HydrophobicContact CZ3-CB 4Å; W303-V328 HydrophobicContact CH2-CG1 3.63Å; W303-V328 HydrophobicContact CZ3-CG1 3.51Å
304	P	75.6	Confident	82.6	Confident	38 Å²	38	70.4 Å²	70.4	25%	0.247	36%	0.362	C	S	.	.			trans	-70.7	122.3	-176.3	-15.9	29.5	0	0	0	112	R306 I307 N325	P304-R306 HydrophobicContact CB-CG 4.14Å; P304-R306 PolarHBondContact O-N 3.12Å; P304-I307 HydrophobicContact CB-CG1 4.18Å; P304-I307 HydrophobicContact CG-CG1 4.44Å; P304-I307 PolarHBondContact O-N 3.43Å; P304-N325 WeakPolarHBondContact CD-O 3.4Å; P304-N325 WeakPolarHBondContact CG-O 3.41Å
305	S	73	Confident	83	Confident	130 Å²	130	64.5 Å²	64.5	91%	0.909	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-10.7	179.8	55	0	0	0	0	115.3	W303 I307	W303-S305 PolarHBondContact O-N 3.27Å; S305-I307 VanDerWaalsContact C-N 3.32Å
306	R	70.8	Confident	83.3	Confident	169 Å²	169	66.8 Å²	66.8	64%	0.638	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-11.1	172.4	71.9	-178.1	-65	-83.2	5	114.2	P304	P304-R306 HydrophobicContact CB-CG 4.14Å; P304-R306 PolarHBondContact O-N 3.12Å
307	I	74.9	Confident	83.4	Confident	20 Å²	20	66.7 Å²	66.7	10%	0.103	34%	0.339	C	S	.	.			trans	-90	124.3	-179.9	-56.1	-63.3	0	0	0	108.9	W303 P304 S305 V309 D326 W340	W303-I307 HydrophobicContact CZ2-CB 4.23Å; W303-I307 HydrophobicContact CZ2-CG2 3.68Å; P304-I307 HydrophobicContact CB-CG1 4.18Å; P304-I307 HydrophobicContact CG-CG1 4.44Å; P304-I307 PolarHBondContact O-N 3.43Å; S305-I307 VanDerWaalsContact C-N 3.32Å; I307-V309 VanDerWaalsContact C-N 3.34Å; I307-V309 PolarHBondContact O-N 3.19Å; I307-D326 HydrophobicContact CD1-CB 3.96Å; I307-D326 HydrophobicContact CG1-CB 3.95Å; I307-W340 HydrophobicContact CG2-CB 3.88Å
308	P	71.8	Confident	83.5	Confident	66 Å²	66	63.8 Å²	63.8	43%	0.429	32%	0.324	S	S	.	.			trans	-74.9	-20.7	-171.7	29.1	-35.7	0	0	0	114
309	V	80.4	Confident	83.9	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.036	30%	0.299	C	S	.	.	S	Bend	trans	-78	128.8	179.2	-176	0	0	0	0	110.3	W303 I307 L314 W340 D344 P346	W303-V309 PolarHBondContact NE1-O 3.13Å; I307-V309 VanDerWaalsContact C-N 3.34Å; I307-V309 PolarHBondContact O-N 3.19Å; V309-L314 HydrophobicContact CG1-CD1 4.08Å; V309-L314 HydrophobicContact CG1-CD2 4.06Å; V309-L314 HydrophobicContact CG1-CG 3.88Å; V309-W340 HydrophobicContact CB-CB 4.45Å; V309-W340 HydrophobicContact CG1-CE3 4.36Å; V309-W340 HydrophobicContact CG2-CB 4.03Å; V309-W340 HydrophobicContact CG2-CE3 4.14Å; V309-D344 HydrophobicContact CG2-CB 4.31Å; V309-P346 HydrophobicContact CG1-CG 3.75Å
310	R	84.9	Confident	84.1	Confident	165 Å²	165	59.1 Å²	59.1	62%	0.623	30%	0.296	S	S	*	.			trans	-83.1	139.1	-170.4	-49.9	176.9	80.8	132.1	6	111.9	E312 Q313 L314	R310-E312 WeakPolarHBondContact CB-OE2 3.34Å; R310-E312 PolarHBondContact O-N 2.9Å; R310-E312 VanDerWaalsContact O-N 3.1Å; R310-Q313 HydrophobicContact CB-CG 4.32Å; R310-Q313 VanDerWaalsContact CB-OE1 3.31Å; R310-Q313 VanDerWaalsContact CG-OE1 3.3Å; R310-Q313 WeakPolarHBondContact O-CB 3.48Å; R310-Q313 PolarHBondContact O-N 2.66Å; R310-L314 PolarHBondContact O-N 2.9Å
311	P	88.2	Confident	84.1	Confident	29 Å²	29	59.4 Å²	59.4	19%	0.188	30%	0.297	C	S	.	.	H	α-helix	trans	-48.4	-37	175.6	-34.2	39.4	0	0	0	115.2	L297 F300 W303 Q313 L314 A315	L297-P311 HydrophobicContact CD1-CB 3.82Å; F300-P311 HydrophobicContact CB-CB 3.69Å; F300-P311 HydrophobicContact CB-CG 4.03Å; F300-P311 HydrophobicContact CD1-CB 4.02Å; F300-P311 HydrophobicContact CD1-CG 4.26Å; F300-P311 HydrophobicContact CD2-CB 4.29Å; F300-P311 HydrophobicContact CG-CB 3.76Å; F300-P311 HydrophobicContact CG-CG 4.31Å; W303-P311 HydrophobicContact CB-CG 4.33Å; W303-P311 HydrophobicContact CG-CG 4.12Å; P311-Q313 VanDerWaalsContact C-N 3.29Å; P311-Q313 PolarHBondContact O-N 2.85Å; P311-L314 PolarHBondContact O-N 3.31Å; P311-A315 VanDerWaalsContact O-CB 3.29Å; P311-A315 WeakPolarHBondContact O-CB 3.29Å; P311-A315 PolarHBondContact O-N 2.82Å
312	E	88.8	Confident	84.2	Confident	86 Å²	86	56.7 Å²	56.7	40%	0.402	28%	0.28	S	S	.	.	H	α-helix	trans	-68.9	-27.5	-179.2	-55.4	74.9	-161	0	0	112.5	L297 R310 K316	L297-E312 HydrophobicContact CD1-CG 4.22Å; R310-E312 WeakPolarHBondContact CB-OE2 3.34Å; R310-E312 PolarHBondContact O-N 2.9Å; R310-E312 VanDerWaalsContact O-N 3.1Å; E312-K316 VanDerWaalsContact O-CB 3.31Å; E312-K316 WeakPolarHBondContact O-CB 3.33Å; E312-K316 WeakPolarHBondContact O-CD 3.44Å; E312-K316 WeakPolarHBondContact O-CG 2.89Å; E312-K316 PolarHBondContact O-N 3.37Å
313	Q	90.4	Very high	84	Confident	83 Å²	83	53 Å²	53	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-75.7	-42.9	175.9	-62.4	172.2	-87.5	0	0	110.4	R310 P311 K316 A317 P346	R310-Q313 HydrophobicContact CB-CG 4.32Å; R310-Q313 VanDerWaalsContact CB-OE1 3.31Å; R310-Q313 VanDerWaalsContact CG-OE1 3.3Å; R310-Q313 WeakPolarHBondContact O-CB 3.48Å; R310-Q313 PolarHBondContact O-N 2.66Å; P311-Q313 VanDerWaalsContact C-N 3.29Å; P311-Q313 PolarHBondContact O-N 2.85Å; Q313-K316 PolarHBondContact O-N 3.1Å; Q313-A317 WeakPolarHBondContact O-CB 3.24Å; Q313-A317 PolarHBondContact O-N 3.29Å; Q313-P346 HydrophobicContact CB-CG 4.07Å
314	L	89.9	Confident	83.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-50.1	177.2	-66.2	162.7	0	0	0	111	F300 W303 V309 R310 P311 K316 A317 G318 F319 V328 W340 P346	F300-L314 HydrophobicContact CE1-CB 3.99Å; F300-L314 HydrophobicContact CE1-CD1 3.71Å; F300-L314 HydrophobicContact CE1-CG 4.48Å; F300-L314 HydrophobicContact CE2-CB 4.39Å; F300-L314 HydrophobicContact CZ-CB 3.6Å; F300-L314 HydrophobicContact CZ-CD1 4.22Å; W303-L314 HydrophobicContact CH2-CD1 3.75Å; W303-L314 HydrophobicContact CZ2-CD1 3.39Å; V309-L314 HydrophobicContact CG1-CD1 4.08Å; V309-L314 HydrophobicContact CG1-CD2 4.06Å; V309-L314 HydrophobicContact CG1-CG 3.88Å; R310-L314 PolarHBondContact O-N 2.9Å; P311-L314 PolarHBondContact O-N 3.31Å; L314-K316 VanDerWaalsContact C-N 3.33Å; L314-K316 PolarHBondContact O-N 3.41Å; L314-A317 CarbonylContact O-C 3.59Å; L314-A317 PolarHBondContact O-N 2.87Å; L314-G318 PolarHBondContact O-N 3.04Å; L314-F319 HydrophobicContact CB-CB 4.27Å; L314-F319 WeakPolarHBondContact O-CB 3.26Å; L314-F319 PolarHBondContact O-N 2.66Å; L314-V328 HydrophobicContact CD2-CG2 4.42Å; L314-W340 HydrophobicContact CD2-CD2 4.07Å; L314-W340 HydrophobicContact CD2-CE3 4.24Å; L314-W340 HydrophobicContact CD2-CH2 3.64Å; L314-W340 HydrophobicContact CD2-CZ2 3.44Å; L314-W340 VanDerWaalsContact CD2-CZ2 3.44Å; L314-W340 HydrophobicContact CD2-CZ3 4.04Å; L314-P346 HydrophobicContact CD2-CB 4.07Å; L314-P346 HydrophobicContact CD2-CG 3.7Å; L314-P346 HydrophobicContact CG-CG 4.15Å
315	A	91.8	Very high	83.6	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-43.6	176.7	0	0	0	0	0	112.3	S293 R296 L297 F300 P311 G318 F319	S293-A315 PolarHBondContact OG-O 2.89Å; R296-A315 HydrophobicContact CB-CB 4.22Å; R296-A315 VanDerWaalsContact CZ-O 3.29Å; R296-A315 PolarHBondContact NE-O 3.15Å; R296-A315 PolarHBondContact NH2-O 2.99Å; L297-A315 HydrophobicContact CB-CB 4.13Å; L297-A315 HydrophobicContact CD1-CB 4.2Å; F300-A315 HydrophobicContact CE2-CB 4.32Å; P311-A315 VanDerWaalsContact O-CB 3.29Å; P311-A315 WeakPolarHBondContact O-CB 3.29Å; P311-A315 PolarHBondContact O-N 2.82Å; A315-G318 PolarHBondContact O-N 2.81Å; A315-F319 WeakPolarHBondContact CA-O 3.44Å
316	K	91.1	Very high	83.9	Confident	131 Å²	131	53.2 Å²	53.2	57%	0.57	25%	0.254	S	S	*	.	H	α-helix	trans	-65.5	-41	175.9	-75.9	172.8	-176	177.4	0	112.7	E312 Q313 L314 G318 W347 Y359	E312-K316 VanDerWaalsContact O-CB 3.31Å; E312-K316 WeakPolarHBondContact O-CB 3.33Å; E312-K316 WeakPolarHBondContact O-CD 3.44Å; E312-K316 WeakPolarHBondContact O-CG 2.89Å; E312-K316 PolarHBondContact O-N 3.37Å; Q313-K316 PolarHBondContact O-N 3.1Å; L314-K316 VanDerWaalsContact C-N 3.33Å; L314-K316 PolarHBondContact O-N 3.41Å; K316-G318 PolarHBondContact O-N 2.85Å; K316-W347 WeakPolarHBondContact O-CH2 3.48Å; K316-W347 WeakPolarHBondContact O-CZ2 3.43Å; K316-Y359 PolarHBondContact O-OH 3.13Å; K316-Y359 VanDerWaalsContact O-OH 3.05Å
317	A	91.8	Very high	84.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	11	174.6	0	0	0	0	0	114.6	Q313 L314 F319 P346 W347 H350	Q313-A317 WeakPolarHBondContact O-CB 3.24Å; Q313-A317 PolarHBondContact O-N 3.29Å; L314-A317 CarbonylContact O-C 3.59Å; L314-A317 PolarHBondContact O-N 2.87Å; A317-F319 HydrophobicContact CB-CD2 3.88Å; A317-F319 HydrophobicContact CB-CE2 4.05Å; A317-P346 HydrophobicContact CB-CB 3.5Å; A317-P346 VanDerWaalsContact CB-CB 3.5Å; A317-W347 HydrophobicContact CB-CD2 3.78Å; A317-W347 HydrophobicContact CB-CE3 4.13Å; A317-W347 HydrophobicContact CB-CG 4.09Å; A317-W347 HydrophobicContact CB-CZ2 4.41Å; A317-H350 PolarHBondContact O-CE1 3.41Å; A317-H350 PolarHBondContact O-ND1 3.29Å
318	G	91.1	Very high	85	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	5.1	175	0	0	0	0	0	114.6	R296 L314 A315 K316 C330 F331	R296-G318 WeakPolarHBondContact CD-O 3.49Å; L314-G318 PolarHBondContact O-N 3.04Å; A315-G318 PolarHBondContact O-N 2.81Å; K316-G318 PolarHBondContact O-N 2.85Å; G318-C330 VanDerWaalsContact O-CA 3.31Å; G318-C330 WeakPolarHBondContact O-CA 3.31Å; G318-F331 WeakPolarHBondContact O-CD1 3.35Å; G318-F331 PolarHBondContact O-N 2.84Å; G318-F331 VanDerWaalsContact O-N 3.09Å
319	F	93.4	Very high	85.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.3	-178.2	-64.6	-76.2	0	0	0	112.7	L314 A315 A317 V328 K329 C330 L337 W340 P346 H350	L314-F319 HydrophobicContact CB-CB 4.27Å; L314-F319 WeakPolarHBondContact O-CB 3.26Å; L314-F319 PolarHBondContact O-N 2.66Å; A315-F319 WeakPolarHBondContact CA-O 3.44Å; A317-F319 HydrophobicContact CB-CD2 3.88Å; A317-F319 HydrophobicContact CB-CE2 4.05Å; F319-V328 HydrophobicContact CB-CB 4.01Å; F319-V328 HydrophobicContact CB-CG2 3.9Å; F319-V328 HydrophobicContact CD1-CB 4.35Å; F319-V328 HydrophobicContact CD1-CG2 3.66Å; F319-V328 HydrophobicContact CE1-CG2 4.39Å; F319-V328 HydrophobicContact CG-CB 4.47Å; F319-V328 HydrophobicContact CG-CG2 3.87Å; F319-K329 CarbonylContact C-O 3.49Å; F319-K329 VanDerWaalsContact CA-O 3.3Å; F319-K329 WeakPolarHBondContact CA-O 3.4Å; F319-C330 HydrophobicContact CD1-CB 4.21Å; F319-C330 HydrophobicContact CE1-CB 4.1Å; F319-L337 HydrophobicContact CE1-CD1 4.06Å; F319-L337 HydrophobicContact CE1-CG 4.39Å; F319-L337 HydrophobicContact CZ-CD1 3.74Å; F319-W340 HydrophobicContact CE2-CH2 4.37Å; F319-P346 HydrophobicContact CD2-CB 4.35Å; F319-P346 HydrophobicContact CE2-CB 4.34Å; F319-H350 HydrophobicContact CE2-CB 3.91Å; F319-H350 AromaticContact CE2-ND1 3.75Å; F319-H350 HydrophobicContact CZ-CB 3.86Å; F319-H350 AromaticContact CZ-CG 3.82Å; F319-H350 AromaticContact CZ-ND1 3.78Å
320	Y	90.4	Very high	86.2	Confident	34 Å²	34	43 Å²	43	13%	0.133	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.4	168.4	69.4	-88.6	0	0	0	110.3	N287 M290 T299 V328 K329 F331	N287-Y320 PolarHBondContact ND2-OH 3.43Å; M290-Y320 HydrophobicContact CB-CD1 3.76Å; M290-Y320 HydrophobicContact CB-CE1 4.08Å; M290-Y320 HydrophobicContact CB-CG 4.22Å; M290-Y320 HydrophobicContact CG-CD1 3.74Å; M290-Y320 HydrophobicContact CG-CD2 4.07Å; M290-Y320 HydrophobicContact CG-CE1 3.96Å; M290-Y320 HydrophobicContact CG-CE2 4.27Å; M290-Y320 HydrophobicContact CG-CG 3.79Å; M290-Y320 HydrophobicContact SD-CD1 4.37Å; M290-Y320 HydrophobicContact SD-CD2 4.07Å; M290-Y320 HydrophobicContact SD-CG 3.86Å; T299-Y320 HydrophobicContact CG2-CD2 4.42Å; Y320-V328 CarbonylContact O-C 3.57Å; Y320-V328 VanDerWaalsContact O-CA 3.25Å; Y320-V328 WeakPolarHBondContact O-CA 3.45Å; Y320-V328 WeakPolarHBondContact O-CB 3.47Å; Y320-K329 HydrophobicContact CD1-CB 4.48Å; Y320-K329 WeakPolarHBondContact CD1-O 3.49Å; Y320-K329 HydrophobicContact CE1-CB 3.91Å; Y320-K329 WeakPolarHBondContact CE1-O 3.36Å; Y320-K329 HydrophobicContact CE2-CB 4.49Å; Y320-K329 PolarHBondContact N-O 3.42Å; Y320-K329 PolarHBondContact O-N 3.12Å; Y320-F331 HydrophobicContact CD1-CB 4.4Å; Y320-F331 HydrophobicContact CE1-CB 4.5Å
321	Y	87.9	Confident	86.5	Confident	19 Å²	19	35.2 Å²	35.2	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.5	179.8	-178.8	-141	0	0	0	111	T299 F300 N302 W303 G323 R324 N325 D327	T299-Y321 WeakPolarHBondContact O-CD1 3.22Å; T299-Y321 PolarHBondContact OG1-N 3.42Å; F300-Y321 HydrophobicContact CD1-CG 4.48Å; N302-Y321 HydrophobicContact CB-CE1 4.13Å; N302-Y321 VanDerWaalsContact O-CE1 3.26Å; N302-Y321 WeakPolarHBondContact O-CE1 3.41Å; N302-Y321 PolarHBondContact O-OH 2.96Å; W303-Y321 HydrophobicContact CE3-CD1 4.5Å; W303-Y321 AromaticContact CE3-CD2 3.59Å; W303-Y321 HydrophobicContact CE3-CD2 3.59Å; W303-Y321 AromaticContact CE3-CE2 3.86Å; W303-Y321 HydrophobicContact CE3-CE2 3.86Å; W303-Y321 AromaticContact CE3-CG 3.96Å; W303-Y321 HydrophobicContact CE3-CG 3.96Å; W303-Y321 AromaticContact CZ3-CD2 3.63Å; W303-Y321 HydrophobicContact CZ3-CD2 3.63Å; W303-Y321 HydrophobicContact CZ3-CE2 4Å; W303-Y321 HydrophobicContact CZ3-CG 4.33Å; Y321-G323 PolarHBondContact O-N 2.86Å; Y321-R324 WeakPolarHBondContact CE2-O 3.49Å; Y321-R324 PolarHBondContact OH-N 2.78Å; Y321-N325 VanDerWaalsContact CE2-O 3.23Å; Y321-N325 WeakPolarHBondContact CE2-O 3.41Å; Y321-N325 PolarHBondContact OH-N 3.11Å; Y321-N325 PolarHBondContact OH-O 2.75Å; Y321-D327 VanDerWaalsContact CD2-O 3.3Å; Y321-D327 WeakPolarHBondContact CD2-O 3.46Å
322	V	83.5	Confident	86.4	Confident	54 Å²	54	34 Å²	34	33%	0.327	17%	0.17	S	C	.	.			trans	-84.3	-0.7	179.8	-171.6	0	0	0	0	111.7	D327 K329	V322-D327 HydrophobicContact CB-CB 4.18Å; V322-D327 HydrophobicContact CG2-CB 4.44Å; V322-D327 WeakPolarHBondContact CG2-O 3.43Å; V322-D327 PolarHBondContact N-O 3.02Å; V322-K329 HydrophobicContact CG2-CB 4.06Å; V322-K329 HydrophobicContact CG2-CD 3.96Å; V322-K329 HydrophobicContact CG2-CG 3.91Å
323	G	74.2	Confident	86.1	Confident	52 Å²	52	31.8 Å²	31.8	54%	0.536	16%	0.164	S	C	.	.	S	Bend	trans	84.1	15.3	176.2	0	0	0	0	0	114.8	Y321	Y321-G323 PolarHBondContact O-N 2.86Å
324	R	72.1	Confident	85.7	Confident	131 Å²	131	28.6 Å²	28.6	49%	0.494	15%	0.149	S	C	.	.	S	Bend	trans	-141.7	134.3	177.7	-55.5	179.1	-172.9	175.6	-2.1	110.1	Y321 D326 D327 P621 S622	Y321-R324 WeakPolarHBondContact CE2-O 3.49Å; Y321-R324 PolarHBondContact OH-N 2.78Å; R324-D326 PolarHBondContact O-N 2.99Å; R324-D327 WeakPolarHBondContact O-CB 3.44Å; R324-D327 PolarHBondContact O-N 3.28Å; R324-D327 VanDerWaalsContact O-N 3.1Å; R324-P621 PolarHBondContact NH1-O 2.86Å; R324-S622 PolarHBondContact NH1-OG 3.42Å
325	N	74.9	Confident	85.2	Confident	57 Å²	57	28.7 Å²	28.7	31%	0.305	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-124.2	176.3	-47.8	-59.5	0	0	0	112.3	P304 Y321 R624	P304-N325 WeakPolarHBondContact CD-O 3.4Å; P304-N325 WeakPolarHBondContact CG-O 3.41Å; Y321-N325 VanDerWaalsContact CE2-O 3.23Å; Y321-N325 WeakPolarHBondContact CE2-O 3.41Å; Y321-N325 PolarHBondContact OH-N 3.11Å; Y321-N325 PolarHBondContact OH-O 2.75Å; N325-R624 PolarHBondContact ND2-NH1 2.95Å; N325-R624 VanDerWaalsContact OD1-CZ 3.28Å; N325-R624 PolarHBondContact OD1-NH1 2.96Å; N325-R624 PolarHBondContact OD1-NH2 3.14Å
326	D	80.5	Confident	84.8	Confident	15 Å²	15	28.9 Å²	28.9	8%	0.08	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	23.4	170.8	67.9	-32	0	0	0	111.6	W303 I307 R324 V328 C339 W340	W303-D326 HydrophobicContact CH2-CB 3.62Å; W303-D326 WeakPolarHBondContact CH2-O 3.35Å; W303-D326 HydrophobicContact CZ2-CB 4.16Å; W303-D326 VanDerWaalsContact CZ3-CA 3.46Å; W303-D326 HydrophobicContact CZ3-CB 4Å; I307-D326 HydrophobicContact CD1-CB 3.96Å; I307-D326 HydrophobicContact CG1-CB 3.95Å; R324-D326 PolarHBondContact O-N 2.99Å; D326-V328 PolarHBondContact O-N 2.97Å; D326-C339 VanDerWaalsContact CG-N 3.3Å; D326-C339 PolarHBondContact OD1-N 2.64Å; D326-C339 WeakPolarHBondContact OD2-CA 3.3Å; D326-C339 PolarHBondContact OD2-N 2.86Å; D326-W340 PolarHBondContact OD2-N 3.06Å
327	D	79.6	Confident	84.4	Confident	16 Å²	16	23.2 Å²	23.2	9%	0.086	13%	0.128	C	C	.	.			trans	-66	115.2	176.9	-77.1	61	0	0	0	111.1	Y321 V322 R324 R338	Y321-D327 VanDerWaalsContact CD2-O 3.3Å; Y321-D327 WeakPolarHBondContact CD2-O 3.46Å; V322-D327 HydrophobicContact CB-CB 4.18Å; V322-D327 HydrophobicContact CG2-CB 4.44Å; V322-D327 WeakPolarHBondContact CG2-O 3.43Å; V322-D327 PolarHBondContact N-O 3.02Å; R324-D327 WeakPolarHBondContact O-CB 3.44Å; R324-D327 PolarHBondContact O-N 3.28Å; R324-D327 VanDerWaalsContact O-N 3.1Å; D327-R338 IonicContact OD1-CZ 2.67Å; D327-R338 IonicContact OD1-NE 3.92Å; D327-R338 PolarHBondContact OD1-NE 3.35Å; D327-R338 IonicContact OD1-NH2 3.55Å; D327-R338 IonicContact OD2-CZ 3.55Å; D327-R338 IonicContact OD2-NE 2.84Å; D327-R338 PolarHBondContact OD2-NE 2.71Å; D327-R338 IonicContact OD2-NH2 2.74Å; D327-R338 PolarHBondContact OD2-NH2 2.99Å
328	V	87.4	Confident	84	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.3	173.2	-55.6	0	0	0	0	112.7	F300 W303 L314 F319 Y320 D326 G336 L337 W340	F300-V328 HydrophobicContact CE1-CG1 3.84Å; F300-V328 HydrophobicContact CZ-CG1 4.04Å; W303-V328 HydrophobicContact CH2-CG1 3.63Å; W303-V328 HydrophobicContact CZ3-CG1 3.51Å; L314-V328 HydrophobicContact CD2-CG2 4.42Å; F319-V328 HydrophobicContact CB-CB 4.01Å; F319-V328 HydrophobicContact CB-CG2 3.9Å; F319-V328 HydrophobicContact CD1-CB 4.35Å; F319-V328 HydrophobicContact CD1-CG2 3.66Å; F319-V328 HydrophobicContact CE1-CG2 4.39Å; F319-V328 HydrophobicContact CG-CB 4.47Å; F319-V328 HydrophobicContact CG-CG2 3.87Å; Y320-V328 CarbonylContact O-C 3.57Å; Y320-V328 VanDerWaalsContact O-CA 3.25Å; Y320-V328 WeakPolarHBondContact O-CA 3.45Å; Y320-V328 WeakPolarHBondContact O-CB 3.47Å; D326-V328 PolarHBondContact O-N 2.97Å; V328-G336 VanDerWaalsContact O-CA 3.29Å; V328-G336 WeakPolarHBondContact O-CA 3.05Å; V328-L337 HydrophobicContact CG2-CB 4.36Å; V328-L337 PolarHBondContact N-O 3.36Å; V328-L337 PolarHBondContact O-N 3.44Å; V328-W340 HydrophobicContact CG2-CZ2 3.6Å
329	K	87.5	Confident	83.2	Confident	27 Å²	27	25.7 Å²	25.7	12%	0.117	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.6	177.3	-88.7	177.4	163.1	-78.2	0	112.2	F319 Y320 V322 D334 G335	F319-K329 CarbonylContact C-O 3.49Å; F319-K329 VanDerWaalsContact CA-O 3.3Å; F319-K329 WeakPolarHBondContact CA-O 3.4Å; Y320-K329 HydrophobicContact CD1-CB 4.48Å; Y320-K329 WeakPolarHBondContact CD1-O 3.49Å; Y320-K329 HydrophobicContact CE1-CB 3.91Å; Y320-K329 WeakPolarHBondContact CE1-O 3.36Å; Y320-K329 HydrophobicContact CE2-CB 4.49Å; Y320-K329 PolarHBondContact N-O 3.42Å; Y320-K329 PolarHBondContact O-N 3.12Å; V322-K329 HydrophobicContact CG2-CB 4.06Å; V322-K329 HydrophobicContact CG2-CD 3.96Å; V322-K329 HydrophobicContact CG2-CG 3.91Å; K329-D334 PolarHBondContact NZ-O 2.83Å; K329-D334 IonicContact NZ-OD1 2.87Å; K329-D334 PolarHBondContact NZ-OD1 2.83Å; K329-D334 IonicContact NZ-OD2 3.81Å; K329-G335 WeakPolarHBondContact CA-O 3.44Å
330	C	91.5	Very high	82.3	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.6	171.4	-179.1	0	0	0	0	111.3	G318 F319 C332 C333 D334 G335 H350	G318-C330 VanDerWaalsContact O-CA 3.31Å; G318-C330 WeakPolarHBondContact O-CA 3.31Å; F319-C330 HydrophobicContact CD1-CB 4.21Å; F319-C330 HydrophobicContact CE1-CB 4.1Å; C330-C332 VanDerWaalsContact C-N 3.27Å; C330-C332 PolarHBondContact O-N 3.42Å; C330-C332 PolarHBondContact SG-N 2.72Å; C330-C332 VanDerWaalsContact SG-N 3.35Å; C330-C333 WeakPolarHBondContact CB-SG 3.49Å; C330-D334 WeakPolarHBondContact O-CA 3.27Å; C330-D334 PolarHBondContact O-N 3.25Å; C330-D334 VanDerWaalsContact O-N 3.12Å; C330-G335 PolarHBondContact N-O 2.68Å; C330-H350 PolarHBondContact SG-CE1 2.73Å
331	F	90.3	Very high	81.3	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.009	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.8	176.2	82.4	-88.1	0	0	0	113.4	L282 V285 S286 N287 M290 Q291 R296 G318 Y320 Y359	L282-F331 HydrophobicContact CD1-CE2 4.25Å; L282-F331 HydrophobicContact CD1-CZ 4.24Å; V285-F331 HydrophobicContact CB-CD2 4.33Å; V285-F331 HydrophobicContact CB-CE2 4.38Å; V285-F331 HydrophobicContact CG1-CD2 4.19Å; V285-F331 HydrophobicContact CG1-CE2 3.75Å; S286-F331 CarbonylContact C-O 3.53Å; S286-F331 PolarHBondContact N-O 2.82Å; S286-F331 VanDerWaalsContact N-O 3.13Å; N287-F331 PolarHBondContact N-O 3.25Å; M290-F331 HydrophobicContact CB-CB 3.62Å; M290-F331 VanDerWaalsContact O-CB 3.25Å; M290-F331 WeakPolarHBondContact O-CB 3.39Å; M290-F331 VanDerWaalsContact O-CG 3.27Å; M290-F331 WeakPolarHBondContact O-CG 3.25Å; Q291-F331 HydrophobicContact CB-CD2 4.16Å; Q291-F331 HydrophobicContact CB-CE2 4.12Å; Q291-F331 HydrophobicContact CG-CD2 4.46Å; Q291-F331 HydrophobicContact CG-CE2 3.91Å; R296-F331 VanDerWaalsContact NH1-CD1 3.27Å; R296-F331 VanDerWaalsContact NH1-CE1 3.33Å; G318-F331 WeakPolarHBondContact O-CD1 3.35Å; G318-F331 PolarHBondContact O-N 2.84Å; G318-F331 VanDerWaalsContact O-N 3.09Å; Y320-F331 HydrophobicContact CD1-CB 4.4Å; Y320-F331 HydrophobicContact CE1-CB 4.5Å; F331-Y359 AromaticContact CE1-CD1 3.63Å; F331-Y359 HydrophobicContact CE1-CD1 3.63Å; F331-Y359 AromaticContact CE1-CD2 3.9Å; F331-Y359 HydrophobicContact CE1-CD2 3.9Å; F331-Y359 AromaticContact CE1-CE1 3.87Å; F331-Y359 HydrophobicContact CE1-CE1 3.87Å; F331-Y359 HydrophobicContact CE1-CE2 4.13Å; F331-Y359 AromaticContact CE1-CG 3.64Å; F331-Y359 HydrophobicContact CE1-CG 3.64Å; F331-Y359 HydrophobicContact CZ-CD1 4.14Å; F331-Y359 AromaticContact CZ-CD2 3.62Å; F331-Y359 HydrophobicContact CZ-CD2 3.62Å; F331-Y359 HydrophobicContact CZ-CE2 4.1Å; F331-Y359 AromaticContact CZ-CG 3.64Å; F331-Y359 HydrophobicContact CZ-CG 3.64Å
332	C	86.6	Confident	80.3	Confident	5 Å²	5	26.7 Å²	26.7	3%	0.034	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-57.1	-176.5	176.1	0	0	0	0	111.4	S286 C330 C357 Y359	S286-C332 WeakPolarHBondContact CB-O 3.24Å; S286-C332 PolarHBondContact N-O 3.06Å; S286-C332 PolarHBondContact OG-O 3.27Å; C330-C332 VanDerWaalsContact C-N 3.27Å; C330-C332 PolarHBondContact O-N 3.42Å; C330-C332 PolarHBondContact SG-N 2.72Å; C330-C332 VanDerWaalsContact SG-N 3.35Å; C332-C357 VanDerWaalsContact SG-SG 3.66Å; C332-Y359 PolarHBondContact SG-N 3.08Å; C332-Y359 VanDerWaalsContact SG-N 3.45Å
333	C	82.1	Confident	79.6	Confident	39 Å²	39	27.8 Å²	27.8	26%	0.264	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-0.4	-171.6	68.9	0	0	0	0	116.1	C330 G335 C357	C330-C333 WeakPolarHBondContact CB-SG 3.49Å; C333-G335 PolarHBondContact O-N 3.13Å; C333-C357 HydrophobicContact CB-CB 3.77Å
334	D	82.7	Confident	79.8	Confident	16 Å²	16	26.6 Å²	26.6	9%	0.086	16%	0.155	C	C	.	.			trans	60	4.1	-174.6	-166.5	34.8	0	0	0	114.8	K329 C330 G336 K617	K329-D334 PolarHBondContact NZ-O 2.83Å; K329-D334 IonicContact NZ-OD1 2.87Å; K329-D334 PolarHBondContact NZ-OD1 2.83Å; K329-D334 IonicContact NZ-OD2 3.81Å; C330-D334 WeakPolarHBondContact O-CA 3.27Å; C330-D334 PolarHBondContact O-N 3.25Å; C330-D334 VanDerWaalsContact O-N 3.12Å; D334-G336 PolarHBondContact O-N 3.03Å; D334-K617 IonicContact OD1-NZ 3.43Å; D334-K617 WeakPolarHBondContact OD2-CE 3.25Å; D334-K617 IonicContact OD2-NZ 3.49Å; D334-K617 PolarHBondContact OD2-NZ 2.9Å
335	G	79.9	Confident	80.2	Confident	2 Å²	2	23.9 Å²	23.9	2%	0.021	15%	0.15	C	C	.	.			trans	-60.8	127.3	177.4	0	0	0	0	0	111.7	K329 C330 C333 F354	K329-G335 WeakPolarHBondContact CA-O 3.44Å; C330-G335 PolarHBondContact N-O 2.68Å; C333-G335 PolarHBondContact O-N 3.13Å; G335-F354 VanDerWaalsContact CA-CZ 3.42Å
336	G	83.3	Confident	80.8	Confident	5 Å²	5	21.2 Å²	21.2	5%	0.052	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.7	-175.5	0	0	0	0	0	113	V328 D334 G635 T636	V328-G336 VanDerWaalsContact O-CA 3.29Å; V328-G336 WeakPolarHBondContact O-CA 3.05Å; D334-G336 PolarHBondContact O-N 3.03Å; G336-G635 CarbonylContact O-C 3.58Å; G336-G635 VanDerWaalsContact O-CA 3.29Å; G336-G635 WeakPolarHBondContact O-CA 3.45Å; G336-T636 PolarHBondContact N-O 2.71Å; G336-T636 PolarHBondContact O-N 3.08Å
337	L	82.6	Confident	81.1	Confident	12 Å²	12	22.4 Å²	22.4	6%	0.063	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.3	177.1	-62.5	176.6	0	0	0	110.4	F319 V328 W340 E349 W353 F354	F319-L337 HydrophobicContact CE1-CD1 4.06Å; F319-L337 HydrophobicContact CE1-CG 4.39Å; F319-L337 HydrophobicContact CZ-CD1 3.74Å; V328-L337 HydrophobicContact CG2-CB 4.36Å; V328-L337 PolarHBondContact N-O 3.36Å; V328-L337 PolarHBondContact O-N 3.44Å; L337-W340 HydrophobicContact CB-CZ2 3.75Å; L337-W340 HydrophobicContact CD1-CH2 3.84Å; L337-W340 HydrophobicContact CD1-CZ2 3.87Å; L337-W340 HydrophobicContact CG-CZ2 4.47Å; L337-E349 HydrophobicContact CD1-CB 3.98Å; L337-W353 HydrophobicContact CD2-CB 4.27Å; L337-W353 HydrophobicContact CD2-CG 3.96Å; L337-F354 HydrophobicContact CD1-CE2 4.09Å; L337-F354 HydrophobicContact CD2-CE2 3.9Å; L337-F354 HydrophobicContact CD2-CZ 3.99Å; L337-F354 HydrophobicContact CG-CE2 3.81Å; L337-F354 HydrophobicContact CG-CZ 4.22Å
338	R	82.3	Confident	81.3	Confident	20 Å²	20	23 Å²	23	8%	0.075	14%	0.143	C	C	.	.			trans	-154.7	-179.4	173.9	68	167.6	82	117.7	-11.9	110.1	D327 L623 V633 K634	D327-R338 IonicContact OD1-CZ 2.67Å; D327-R338 IonicContact OD1-NE 3.92Å; D327-R338 PolarHBondContact OD1-NE 3.35Å; D327-R338 IonicContact OD1-NH2 3.55Å; D327-R338 IonicContact OD2-CZ 3.55Å; D327-R338 IonicContact OD2-NE 2.84Å; D327-R338 PolarHBondContact OD2-NE 2.71Å; D327-R338 IonicContact OD2-NH2 2.74Å; D327-R338 PolarHBondContact OD2-NH2 2.99Å; R338-L623 PolarHBondContact NH1-O 3.09Å; R338-L623 PolarHBondContact NH2-O 3.05Å; R338-V633 WeakPolarHBondContact CD-O 3.45Å; R338-V633 VanDerWaalsContact CG-O 3.31Å; R338-V633 WeakPolarHBondContact CG-O 3.42Å; R338-V633 VanDerWaalsContact NH1-CG1 3.31Å; R338-V633 PolarHBondContact NH1-O 2.95Å; R338-K634 PolarHBondContact N-O 3.1Å
339	C	74.3	Confident	81	Confident	32 Å²	32	24 Å²	24	22%	0.216	15%	0.148	C	C	.	.			trans	58.4	54	-174.5	-52	0	0	0	0	112.5	D326 K634	D326-C339 VanDerWaalsContact CG-N 3.3Å; D326-C339 PolarHBondContact OD1-N 2.64Å; D326-C339 WeakPolarHBondContact OD2-CA 3.3Å; D326-C339 PolarHBondContact OD2-N 2.86Å; C339-K634 HydrophobicContact CB-CB 4.45Å; C339-K634 HydrophobicContact CB-CD 4.32Å; C339-K634 HydrophobicContact CB-CG 3.87Å
340	W	75.6	Confident	80.9	Confident	14 Å²	14	22.7 Å²	22.7	5%	0.053	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-73.6	124.1	179.3	-67.2	90.4	0	0	0	111.7	I307 V309 L314 F319 D326 V328 L337 D344 P346 E349	I307-W340 HydrophobicContact CG2-CB 3.88Å; V309-W340 HydrophobicContact CB-CB 4.45Å; V309-W340 HydrophobicContact CG1-CE3 4.36Å; V309-W340 HydrophobicContact CG2-CB 4.03Å; V309-W340 HydrophobicContact CG2-CE3 4.14Å; L314-W340 HydrophobicContact CD2-CD2 4.07Å; L314-W340 HydrophobicContact CD2-CE3 4.24Å; L314-W340 HydrophobicContact CD2-CH2 3.64Å; L314-W340 HydrophobicContact CD2-CZ2 3.44Å; L314-W340 VanDerWaalsContact CD2-CZ2 3.44Å; L314-W340 HydrophobicContact CD2-CZ3 4.04Å; F319-W340 HydrophobicContact CE2-CH2 4.37Å; D326-W340 PolarHBondContact OD2-N 3.06Å; V328-W340 HydrophobicContact CG2-CZ2 3.6Å; L337-W340 HydrophobicContact CB-CZ2 3.75Å; L337-W340 HydrophobicContact CD1-CH2 3.84Å; L337-W340 HydrophobicContact CD1-CZ2 3.87Å; L337-W340 HydrophobicContact CG-CZ2 4.47Å; W340-D344 HydrophobicContact CE3-CB 4.12Å; W340-P346 HydrophobicContact CH2-CB 4.05Å; W340-P346 HydrophobicContact CH2-CG 4.23Å; W340-P346 HydrophobicContact CZ3-CB 4.16Å; W340-P346 HydrophobicContact CZ3-CG 3.93Å; W340-E349 HydrophobicContact CH2-CB 4.36Å; W340-E349 HydrophobicContact CZ3-CB 4.32Å; W340-E349 HydrophobicContact CZ3-CG 4.41Å
341	E	69.4	Low	80.5	Confident	33 Å²	33	22.6 Å²	22.6	15%	0.154	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-103.6	173.5	-173.1	-68.7	165.9	170.4	0	0	112.5	G343 D344 K440 K634	E341-G343 PolarHBondContact O-N 3.2Å; E341-D344 WeakPolarHBondContact CB-OD2 3.33Å; E341-D344 PolarHBondContact N-OD2 2.97Å; E341-D344 PolarHBondContact O-N 3.21Å; E341-K440 WeakPolarHBondContact OE2-CD 3.16Å; E341-K440 IonicContact OE2-NZ 3.81Å; E341-K440 PolarHBondContact OE2-NZ 2.99Å; E341-K634 IonicContact OE1-NZ 3.51Å; E341-K634 PolarHBondContact OE1-NZ 3.23Å; E341-K634 IonicContact OE2-NZ 2.66Å
342	S	66.7	Low	79.7	Confident	27 Å²	27	22.9 Å²	22.9	19%	0.189	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	123.4	176.1	-82.6	0	0	0	0	111.2	S456 D457	S342-S456 PolarHBondContact OG-OG 3.06Å; S342-S456 VanDerWaalsContact OG-OG 3.1Å; S342-D457 PolarHBondContact N-OD1 3.16Å
343	G	69.1	Low	79.2	Confident	77 Å²	77	23.8 Å²	23.8	79%	0.794	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	1	176.2	0	0	0	0	0	115.9	E341	E341-G343 PolarHBondContact O-N 3.2Å
344	D	77.5	Confident	79.3	Confident	27 Å²	27	22.8 Å²	22.8	14%	0.144	14%	0.137	C	C	.	.			trans	-69.6	130.7	177.7	-64.3	-8.4	0	0	0	111.3	V309 W340 E341 K440	V309-D344 HydrophobicContact CG2-CB 4.31Å; W340-D344 HydrophobicContact CE3-CB 4.12Å; E341-D344 WeakPolarHBondContact CB-OD2 3.33Å; E341-D344 PolarHBondContact N-OD2 2.97Å; E341-D344 PolarHBondContact O-N 3.21Å; D344-K440 IonicContact OD1-NZ 3.89Å; D344-K440 PolarHBondContact OD1-NZ 3.49Å
345	D	80.3	Confident	79.1	Confident	73 Å²	73	23.6 Å²	23.6	39%	0.39	14%	0.143	S	C	.	.			trans	-98	116.8	175.1	-177.3	-45.7	0	0	0	109.8	W347 V348 E349	D345-W347 PolarHBondContact O-N 3.39Å; D345-W347 VanDerWaalsContact O-N 3.16Å; D345-W347 WeakPolarHBondContact OD1-CA 3.24Å; D345-W347 WeakPolarHBondContact OD1-CB 3.35Å; D345-W347 PolarHBondContact OD1-N 3.03Å; D345-V348 HydrophobicContact CB-CB 4.04Å; D345-V348 HydrophobicContact CB-CG2 3.81Å; D345-V348 PolarHBondContact O-N 3.33Å; D345-V348 PolarHBondContact OD1-N 3.04Å; D345-E349 PolarHBondContact O-N 3.12Å
346	P	86.8	Confident	79.1	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-56.3	-29.9	-179.6	-31.4	39.1	0	0	0	115.5	V309 Q313 L314 A317 F319 W340 H350	V309-P346 HydrophobicContact CG1-CG 3.75Å; Q313-P346 HydrophobicContact CB-CG 4.07Å; L314-P346 HydrophobicContact CD2-CB 4.07Å; L314-P346 HydrophobicContact CD2-CG 3.7Å; L314-P346 HydrophobicContact CG-CG 4.15Å; A317-P346 HydrophobicContact CB-CB 3.5Å; A317-P346 VanDerWaalsContact CB-CB 3.5Å; F319-P346 HydrophobicContact CD2-CB 4.35Å; F319-P346 HydrophobicContact CE2-CB 4.34Å; W340-P346 HydrophobicContact CH2-CB 4.05Å; W340-P346 HydrophobicContact CH2-CG 4.23Å; W340-P346 HydrophobicContact CZ3-CB 4.16Å; W340-P346 HydrophobicContact CZ3-CG 3.93Å; P346-H350 WeakPolarHBondContact O-CB 3.44Å; P346-H350 PolarHBondContact O-N 3.42Å
347	W	87.3	Confident	79.2	Confident	40 Å²	40	34 Å²	34	15%	0.152	18%	0.18	C	C	.	.	H	α-helix	trans	-75	-35.4	175.1	-68.5	107.3	0	0	0	112.5	K316 A317 D345 A351 Y359 L360 E363 K364 F368	K316-W347 WeakPolarHBondContact O-CH2 3.48Å; K316-W347 WeakPolarHBondContact O-CZ2 3.43Å; A317-W347 HydrophobicContact CB-CD2 3.78Å; A317-W347 HydrophobicContact CB-CE3 4.13Å; A317-W347 HydrophobicContact CB-CG 4.09Å; A317-W347 HydrophobicContact CB-CZ2 4.41Å; D345-W347 PolarHBondContact O-N 3.39Å; D345-W347 VanDerWaalsContact O-N 3.16Å; D345-W347 WeakPolarHBondContact OD1-CA 3.24Å; D345-W347 WeakPolarHBondContact OD1-CB 3.35Å; D345-W347 PolarHBondContact OD1-N 3.03Å; W347-A351 WeakPolarHBondContact O-CB 3.47Å; W347-A351 PolarHBondContact O-N 3.21Å; W347-Y359 AromaticContact CH2-CE1 3.91Å; W347-Y359 HydrophobicContact CH2-CE1 3.91Å; W347-Y359 HydrophobicContact CZ3-CE1 4.24Å; W347-L360 HydrophobicContact CE3-CD1 3.8Å; W347-L360 HydrophobicContact CZ3-CD1 4.19Å; W347-E363 HydrophobicContact CH2-CB 3.57Å; W347-E363 HydrophobicContact CH2-CG 3.92Å; W347-E363 HydrophobicContact CZ3-CB 3.91Å; W347-E363 HydrophobicContact CZ3-CG 4.49Å; W347-K364 HydrophobicContact CB-CD 4.49Å; W347-K364 HydrophobicContact CD2-CD 3.69Å; W347-K364 HydrophobicContact CD2-CG 4Å; W347-K364 HydrophobicContact CE3-CD 3.68Å; W347-K364 HydrophobicContact CE3-CG 3.45Å; W347-K364 VanDerWaalsContact CE3-CG 3.45Å; W347-K364 HydrophobicContact CG-CD 4.09Å; W347-K364 HydrophobicContact CH2-CD 4.43Å; W347-K364 HydrophobicContact CH2-CG 4.47Å; W347-K364 HydrophobicContact CZ2-CD 4.45Å; W347-K364 HydrophobicContact CZ3-CD 4.07Å; W347-K364 HydrophobicContact CZ3-CG 3.73Å; W347-F368 HydrophobicContact CB-CE1 4.29Å; W347-F368 HydrophobicContact CB-CZ 4.11Å
348	V	83.9	Confident	79.4	Confident	30 Å²	30	36.5 Å²	36.5	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-47.6	175.6	175.1	0	0	0	0	109.7	D345 H350 A351 K352 F368 I372 F376	D345-V348 HydrophobicContact CB-CB 4.04Å; D345-V348 HydrophobicContact CB-CG2 3.81Å; D345-V348 PolarHBondContact O-N 3.33Å; D345-V348 PolarHBondContact OD1-N 3.04Å; V348-H350 PolarHBondContact O-N 2.61Å; V348-A351 CarbonylContact O-C 3.45Å; V348-A351 PolarHBondContact O-N 3.3Å; V348-K352 VanDerWaalsContact O-CB 3.26Å; V348-K352 WeakPolarHBondContact O-CB 3.4Å; V348-K352 PolarHBondContact O-N 2.95Å; V348-F368 HydrophobicContact CG2-CZ 4.33Å; V348-I372 HydrophobicContact CG1-CD1 4.14Å; V348-I372 HydrophobicContact CG1-CG2 4.46Å; V348-I372 HydrophobicContact CG2-CD1 4.28Å; V348-F376 HydrophobicContact CG1-CE2 4.4Å
349	E	81.5	Confident	79.8	Confident	20 Å²	20	36.7 Å²	36.7	9%	0.093	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-36.7	178.5	-68.5	-55.3	100.9	0	0	112.2	L337 W340 D345 A351 K352 W353	L337-E349 HydrophobicContact CD1-CB 3.98Å; W340-E349 HydrophobicContact CH2-CB 4.36Å; W340-E349 HydrophobicContact CZ3-CB 4.32Å; W340-E349 HydrophobicContact CZ3-CG 4.41Å; D345-E349 PolarHBondContact O-N 3.12Å; E349-A351 PolarHBondContact O-N 2.95Å; E349-K352 PolarHBondContact O-N 3.4Å; E349-K352 VanDerWaalsContact OE1-CD 3.24Å; E349-K352 WeakPolarHBondContact OE1-CD 3.45Å; E349-W353 WeakPolarHBondContact O-CB 3.48Å; E349-W353 PolarHBondContact O-N 2.96Å; E349-W353 PolarHBondContact OE2-NE1 3.46Å
350	H	85.1	Confident	80.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-46.1	171	-160.7	155.8	0	0	0	111.5	A317 F319 C330 P346 V348 F354 C357 L360	A317-H350 PolarHBondContact O-CE1 3.41Å; A317-H350 PolarHBondContact O-ND1 3.29Å; F319-H350 HydrophobicContact CE2-CB 3.91Å; F319-H350 AromaticContact CE2-ND1 3.75Å; F319-H350 HydrophobicContact CZ-CB 3.86Å; F319-H350 AromaticContact CZ-CG 3.82Å; F319-H350 AromaticContact CZ-ND1 3.78Å; C330-H350 PolarHBondContact SG-CE1 2.73Å; P346-H350 WeakPolarHBondContact O-CB 3.44Å; P346-H350 PolarHBondContact O-N 3.42Å; V348-H350 PolarHBondContact O-N 2.61Å; H350-F354 CarbonylContact O-C 3.51Å; H350-F354 WeakPolarHBondContact O-CA 3.32Å; H350-F354 PolarHBondContact O-N 3.36Å; H350-C357 WeakPolarHBondContact NE2-CB 3.3Å; H350-C357 PolarHBondContact NE2-SG 3.49Å; H350-L360 HydrophobicContact CB-CD1 4.24Å
351	A	82.8	Confident	81	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-72.4	-25.3	178.2	0	0	0	0	0	114.6	W347 V348 E349 L360 F368 V369 I372 Q373	W347-A351 WeakPolarHBondContact O-CB 3.47Å; W347-A351 PolarHBondContact O-N 3.21Å; V348-A351 CarbonylContact O-C 3.45Å; V348-A351 PolarHBondContact O-N 3.3Å; E349-A351 PolarHBondContact O-N 2.95Å; A351-L360 HydrophobicContact CB-CD1 4.26Å; A351-L360 HydrophobicContact CB-CD2 3.92Å; A351-F368 HydrophobicContact CB-CD1 4.18Å; A351-F368 HydrophobicContact CB-CE1 3.73Å; A351-V369 HydrophobicContact CB-CG2 4.17Å; A351-I372 HydrophobicContact CB-CB 3.99Å; A351-I372 HydrophobicContact CB-CG1 4.07Å; A351-I372 HydrophobicContact CB-CG2 3.97Å; A351-Q373 PolarHBondContact O-NE2 2.59Å
352	K	74.7	Confident	81.9	Confident	7 Å²	7	39.6 Å²	39.6	3%	0.03	21%	0.205	C	C	.	.	H	α-helix	trans	-72	-48.2	174	-179.4	-178.8	175.5	119.3	0	111.5	V348 E349 I372 Q373 F376 L379 L442 T443	V348-K352 VanDerWaalsContact O-CB 3.26Å; V348-K352 WeakPolarHBondContact O-CB 3.4Å; V348-K352 PolarHBondContact O-N 2.95Å; E349-K352 PolarHBondContact O-N 3.4Å; E349-K352 VanDerWaalsContact OE1-CD 3.24Å; E349-K352 WeakPolarHBondContact OE1-CD 3.45Å; K352-I372 HydrophobicContact CB-CG2 4.17Å; K352-Q373 PolarHBondContact O-NE2 2.77Å; K352-F376 HydrophobicContact CB-CD2 4.25Å; K352-F376 HydrophobicContact CB-CE2 4.4Å; K352-F376 HydrophobicContact CD-CD2 4.05Å; K352-F376 HydrophobicContact CD-CE2 4.05Å; K352-F376 HydrophobicContact CG-CD2 3.82Å; K352-F376 HydrophobicContact CG-CE2 4.21Å; K352-L379 HydrophobicContact CD-CD1 4.17Å; K352-L379 HydrophobicContact CG-CD1 3.72Å; K352-L442 PolarHBondContact NZ-O 3.33Å; K352-T443 WeakPolarHBondContact CD-O 3.36Å; K352-T443 WeakPolarHBondContact CE-O 3.41Å; K352-T443 PolarHBondContact NZ-O 3.29Å
353	W	75.1	Confident	82.9	Confident	24 Å²	24	43.5 Å²	43.5	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-94	-31.6	-171.5	-62.8	113.2	0	0	0	114.6	L337 E349 P355 L379 L383 I608	L337-W353 HydrophobicContact CD2-CB 4.27Å; L337-W353 HydrophobicContact CD2-CG 3.96Å; E349-W353 WeakPolarHBondContact O-CB 3.48Å; E349-W353 PolarHBondContact O-N 2.96Å; E349-W353 PolarHBondContact OE2-NE1 3.46Å; W353-P355 VanDerWaalsContact C-CD 3.46Å; W353-L379 HydrophobicContact CH2-CD2 4.48Å; W353-L383 HydrophobicContact CH2-CD1 4Å; W353-L383 HydrophobicContact CZ3-CD1 3.53Å; W353-I608 HydrophobicContact CD2-CD1 3.8Å; W353-I608 HydrophobicContact CD2-CG2 4.46Å; W353-I608 HydrophobicContact CE3-CD1 3.48Å; W353-I608 VanDerWaalsContact CE3-CD1 3.48Å; W353-I608 HydrophobicContact CE3-CG1 3.94Å; W353-I608 HydrophobicContact CE3-CG2 4.18Å; W353-I608 HydrophobicContact CG-CD1 4.24Å; W353-I608 HydrophobicContact CH2-CG2 3.47Å; W353-I608 VanDerWaalsContact CH2-CG2 3.47Å; W353-I608 HydrophobicContact CZ2-CG2 3.77Å; W353-I608 HydrophobicContact CZ3-CB 4.46Å; W353-I608 HydrophobicContact CZ3-CD1 3.99Å; W353-I608 HydrophobicContact CZ3-CG1 3.92Å; W353-I608 HydrophobicContact CZ3-CG2 3.68Å
354	F	83.6	Confident	83.8	Confident	19 Å²	19	43.6 Å²	43.6	8%	0.083	20%	0.199	C	C	.	.			trans	-131	57.3	-175.7	-39.7	-74.7	0	0	0	112.9	G335 L337 H350 R356 C357 V637	G335-F354 VanDerWaalsContact CA-CZ 3.42Å; L337-F354 HydrophobicContact CD1-CE2 4.09Å; L337-F354 HydrophobicContact CD2-CE2 3.9Å; L337-F354 HydrophobicContact CD2-CZ 3.99Å; L337-F354 HydrophobicContact CG-CE2 3.81Å; L337-F354 HydrophobicContact CG-CZ 4.22Å; H350-F354 CarbonylContact O-C 3.51Å; H350-F354 WeakPolarHBondContact O-CA 3.32Å; H350-F354 PolarHBondContact O-N 3.36Å; F354-R356 PolarHBondContact O-N 3.42Å; F354-C357 WeakPolarHBondContact O-CB 3.4Å; F354-C357 PolarHBondContact O-N 2.8Å; F354-C357 VanDerWaalsContact O-N 3.07Å; F354-V637 HydrophobicContact CE1-CG2 4.15Å
355	P	80.1	Confident	84	Confident	33 Å²	33	43.7 Å²	43.7	21%	0.214	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-3.3	-174.1	28.1	-38.4	0	0	0	115.9	W353 V369 Q373	W353-P355 VanDerWaalsContact C-CD 3.46Å; P355-V369 HydrophobicContact CB-CG1 3.46Å; P355-V369 VanDerWaalsContact CB-CG1 3.46Å; P355-Q373 HydrophobicContact CB-CG 3.79Å; P355-Q373 HydrophobicContact CG-CG 4.29Å
356	R	80.1	Confident	84	Confident	223 Å²	223	44.6 Å²	44.6	84%	0.842	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	12.6	176.4	-58.5	-168	-58.4	-88.8	0.1	113.7	F354 E358	F354-R356 PolarHBondContact O-N 3.42Å; R356-E358 PolarHBondContact O-N 2.67Å
357	C	85.4	Confident	83.3	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	24%	0.241	C	C	.	.			trans	-70.4	121	177.5	178	0	0	0	0	110.9	C332 C333 H350 F354 Y359 L360 L361	C332-C357 VanDerWaalsContact SG-SG 3.66Å; C333-C357 HydrophobicContact CB-CB 3.77Å; H350-C357 WeakPolarHBondContact NE2-CB 3.3Å; H350-C357 PolarHBondContact NE2-SG 3.49Å; F354-C357 WeakPolarHBondContact O-CB 3.4Å; F354-C357 PolarHBondContact O-N 2.8Å; F354-C357 VanDerWaalsContact O-N 3.07Å; C357-Y359 VanDerWaalsContact C-N 3.31Å; C357-Y359 PolarHBondContact O-N 2.97Å; C357-L360 HydrophobicContact CB-CB 3.8Å; C357-L360 WeakPolarHBondContact O-CB 3.48Å; C357-L360 PolarHBondContact O-N 2.76Å; C357-L361 WeakPolarHBondContact O-CG 3.3Å; C357-L361 PolarHBondContact O-N 2.79Å
358	E	86.8	Confident	83	Confident	65 Å²	65	51 Å²	51	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-55.7	-44.9	-179.2	-62.2	-176	169.6	0	0	111.5	L282 T283 S284 R356 L360 L361 Q362	L282-E358 HydrophobicContact CD2-CB 3.52Å; T283-E358 PolarHBondContact N-OE2 3.41Å; T283-E358 PolarHBondContact OG1-OE1 3.23Å; S284-E358 PolarHBondContact N-OE2 3.32Å; R356-E358 PolarHBondContact O-N 2.67Å; E358-L360 PolarHBondContact O-N 3.03Å; E358-L361 PolarHBondContact O-N 3.35Å; E358-Q362 WeakPolarHBondContact O-CB 3.43Å; E358-Q362 PolarHBondContact O-N 3.44Å
359	Y	89.6	Confident	82.7	Confident	23 Å²	23	49.6 Å²	49.6	9%	0.09	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-42.8	179	178	-112.3	0	0	0	113	L282 K316 F331 C332 W347 C357 L361 Q362 E363	L282-Y359 HydrophobicContact CD1-CD2 4.31Å; K316-Y359 PolarHBondContact O-OH 3.13Å; K316-Y359 VanDerWaalsContact O-OH 3.05Å; F331-Y359 AromaticContact CE1-CD1 3.63Å; F331-Y359 HydrophobicContact CE1-CD1 3.63Å; F331-Y359 AromaticContact CE1-CD2 3.9Å; F331-Y359 HydrophobicContact CE1-CD2 3.9Å; F331-Y359 AromaticContact CE1-CE1 3.87Å; F331-Y359 HydrophobicContact CE1-CE1 3.87Å; F331-Y359 HydrophobicContact CE1-CE2 4.13Å; F331-Y359 AromaticContact CE1-CG 3.64Å; F331-Y359 HydrophobicContact CE1-CG 3.64Å; F331-Y359 HydrophobicContact CZ-CD1 4.14Å; F331-Y359 AromaticContact CZ-CD2 3.62Å; F331-Y359 HydrophobicContact CZ-CD2 3.62Å; F331-Y359 HydrophobicContact CZ-CE2 4.1Å; F331-Y359 AromaticContact CZ-CG 3.64Å; F331-Y359 HydrophobicContact CZ-CG 3.64Å; C332-Y359 PolarHBondContact SG-N 3.08Å; C332-Y359 VanDerWaalsContact SG-N 3.45Å; W347-Y359 AromaticContact CH2-CE1 3.91Å; W347-Y359 HydrophobicContact CH2-CE1 3.91Å; W347-Y359 HydrophobicContact CZ3-CE1 4.24Å; C357-Y359 VanDerWaalsContact C-N 3.31Å; C357-Y359 PolarHBondContact O-N 2.97Å; Y359-L361 VanDerWaalsContact C-N 3.33Å; Y359-L361 PolarHBondContact O-N 2.87Å; Y359-Q362 PolarHBondContact O-N 3.44Å; Y359-E363 HydrophobicContact CD2-CG 3.82Å; Y359-E363 HydrophobicContact CE1-CG 4.17Å; Y359-E363 HydrophobicContact CE2-CG 3.34Å; Y359-E363 HydrophobicContact CG-CG 4.4Å; Y359-E363 WeakPolarHBondContact O-CB 3.29Å; Y359-E363 WeakPolarHBondContact O-CG 3.49Å; Y359-E363 PolarHBondContact O-N 2.89Å; Y359-E363 PolarHBondContact OH-OE2 3.37Å
360	L	88.5	Confident	82.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-45	175.8	173.4	70.8	0	0	0	111.1	W347 H350 A351 C357 E358 Q362 E363 K364 V369	W347-L360 HydrophobicContact CE3-CD1 3.8Å; W347-L360 HydrophobicContact CZ3-CD1 4.19Å; H350-L360 HydrophobicContact CB-CD1 4.24Å; A351-L360 HydrophobicContact CB-CD1 4.26Å; A351-L360 HydrophobicContact CB-CD2 3.92Å; C357-L360 HydrophobicContact CB-CB 3.8Å; C357-L360 WeakPolarHBondContact O-CB 3.48Å; C357-L360 PolarHBondContact O-N 2.76Å; E358-L360 PolarHBondContact O-N 3.03Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-E363 PolarHBondContact O-N 2.53Å; L360-K364 HydrophobicContact CD1-CB 4.35Å; L360-K364 HydrophobicContact CD1-CG 3.87Å; L360-K364 VanDerWaalsContact O-CB 3.31Å; L360-K364 WeakPolarHBondContact O-CB 3.49Å; L360-K364 PolarHBondContact O-N 2.93Å; L360-V369 HydrophobicContact CD1-CG2 4.48Å; L360-V369 HydrophobicContact CD2-CG2 3.68Å; L360-V369 HydrophobicContact CG-CG2 3.82Å
361	L	86.6	Confident	81.8	Confident	48 Å²	48	59.5 Å²	59.5	25%	0.251	28%	0.281	S	S	.	.	H	α-helix	trans	-68	-33.6	-179.7	-67.8	173.3	0	0	0	112	C357 E358 Y359 G365 V369	C357-L361 WeakPolarHBondContact O-CG 3.3Å; C357-L361 PolarHBondContact O-N 2.79Å; E358-L361 PolarHBondContact O-N 3.35Å; Y359-L361 VanDerWaalsContact C-N 3.33Å; Y359-L361 PolarHBondContact O-N 2.87Å; L361-G365 WeakPolarHBondContact O-CA 3.48Å; L361-G365 PolarHBondContact O-N 2.97Å; L361-V369 HydrophobicContact CD2-CB 4.08Å; L361-V369 HydrophobicContact CD2-CG1 4.45Å; L361-V369 HydrophobicContact CD2-CG2 3.74Å
362	Q	87.7	Confident	81.3	Confident	93 Å²	93	59.7 Å²	59.7	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-69.6	-44.7	174.7	-174.8	164.8	23.3	0	0	112.8	P280 E358 Y359 L360	P280-Q362 PolarHBondContact O-NE2 3.42Å; E358-Q362 WeakPolarHBondContact O-CB 3.43Å; E358-Q362 PolarHBondContact O-N 3.44Å; Y359-Q362 PolarHBondContact O-N 3.44Å; L360-Q362 VanDerWaalsContact C-N 3.33Å
363	E	89.4	Confident	81	Confident	109 Å²	109	62.1 Å²	62.1	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-84	-28.5	-174.5	-65.5	-81.4	115.7	0	0	114	W347 Y359 L360	W347-E363 HydrophobicContact CH2-CB 3.57Å; W347-E363 HydrophobicContact CH2-CG 3.92Å; W347-E363 HydrophobicContact CZ3-CB 3.91Å; W347-E363 HydrophobicContact CZ3-CG 4.49Å; Y359-E363 HydrophobicContact CD2-CG 3.82Å; Y359-E363 HydrophobicContact CE1-CG 4.17Å; Y359-E363 HydrophobicContact CE2-CG 3.34Å; Y359-E363 HydrophobicContact CG-CG 4.4Å; Y359-E363 WeakPolarHBondContact O-CB 3.29Å; Y359-E363 WeakPolarHBondContact O-CG 3.49Å; Y359-E363 PolarHBondContact O-N 2.89Å; Y359-E363 PolarHBondContact OH-OE2 3.37Å; L360-E363 PolarHBondContact O-N 2.53Å
364	K	87.7	Confident	80.4	Confident	79 Å²	79	63.3 Å²	63.3	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-114.7	-16.2	-174.7	-56.3	-62.1	-64.4	-169.6	0	114.3	W347 L360 F368	W347-K364 HydrophobicContact CB-CD 4.49Å; W347-K364 HydrophobicContact CD2-CD 3.69Å; W347-K364 HydrophobicContact CD2-CG 4Å; W347-K364 HydrophobicContact CE3-CD 3.68Å; W347-K364 HydrophobicContact CE3-CG 3.45Å; W347-K364 VanDerWaalsContact CE3-CG 3.45Å; W347-K364 HydrophobicContact CG-CD 4.09Å; W347-K364 HydrophobicContact CH2-CD 4.43Å; W347-K364 HydrophobicContact CH2-CG 4.47Å; W347-K364 HydrophobicContact CZ2-CD 4.45Å; W347-K364 HydrophobicContact CZ3-CD 4.07Å; W347-K364 HydrophobicContact CZ3-CG 3.73Å; L360-K364 HydrophobicContact CD1-CB 4.35Å; L360-K364 HydrophobicContact CD1-CG 3.87Å; L360-K364 VanDerWaalsContact O-CB 3.31Å; L360-K364 WeakPolarHBondContact O-CB 3.49Å; L360-K364 PolarHBondContact O-N 2.93Å; K364-F368 HydrophobicContact CB-CB 4.03Å; K364-F368 HydrophobicContact CB-CD1 3.47Å; K364-F368 VanDerWaalsContact CB-CD1 3.47Å; K364-F368 HydrophobicContact CB-CE1 4.14Å; K364-F368 HydrophobicContact CB-CG 3.91Å; K364-F368 HydrophobicContact CG-CD1 3.94Å; K364-F368 HydrophobicContact CG-CE1 4.08Å; K364-F368 VanDerWaalsContact O-CB 3.24Å; K364-F368 WeakPolarHBondContact O-CB 3.38Å
365	G	81.3	Confident	79.2	Confident	29 Å²	29	66.4 Å²	66.4	30%	0.299	32%	0.319	S	S	.	.	H	α-helix	trans	76.9	156.8	-175.5	0	0	0	0	0	113.8	L361 D367 F368	L361-G365 WeakPolarHBondContact O-CA 3.48Å; L361-G365 PolarHBondContact O-N 2.97Å; G365-D367 VanDerWaalsContact C-N 3.26Å; G365-D367 PolarHBondContact O-N 3.36Å; G365-F368 PolarHBondContact O-N 2.81Å
366	Q	79.3	Confident	78	Confident	92 Å²	92	65.5 Å²	65.5	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-59.6	-36.6	178.9	-169.8	71.5	35.1	0	0	112.1	F368 V369 H370	Q366-F368 PolarHBondContact O-N 2.71Å; Q366-V369 PolarHBondContact O-N 2.84Å; Q366-H370 VanDerWaalsContact CG-CE1 3.48Å; Q366-H370 WeakPolarHBondContact CG-CE1 3.07Å; Q366-H370 PolarHBondContact NE2-NE2 2.87Å; Q366-H370 WeakPolarHBondContact O-CB 3.24Å; Q366-H370 PolarHBondContact O-N 2.83Å
367	D	72.3	Confident	76.5	Confident	132 Å²	132	58 Å²	58	71%	0.706	29%	0.292	S	S	*	.	H	α-helix	trans	-68.1	-35.6	-175.7	-61.2	-49.5	0	0	0	113.2	G365 H370 Q371	G365-D367 VanDerWaalsContact C-N 3.26Å; G365-D367 PolarHBondContact O-N 3.36Å; D367-H370 PolarHBondContact O-N 3.19Å; D367-Q371 VanDerWaalsContact O-CB 3.32Å; D367-Q371 WeakPolarHBondContact O-CB 3.5Å; D367-Q371 PolarHBondContact O-N 2.95Å
368	F	82.1	Confident	74.9	Confident	42 Å²	42	65.9 Å²	65.9	18%	0.184	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-47.4	171.2	174.3	-100.1	0	0	0	110.6	W347 V348 A351 K364 G365 Q366 H370 Q371 I372	W347-F368 HydrophobicContact CB-CE1 4.29Å; W347-F368 HydrophobicContact CB-CZ 4.11Å; V348-F368 HydrophobicContact CG2-CZ 4.33Å; A351-F368 HydrophobicContact CB-CD1 4.18Å; A351-F368 HydrophobicContact CB-CE1 3.73Å; K364-F368 HydrophobicContact CB-CB 4.03Å; K364-F368 HydrophobicContact CB-CD1 3.47Å; K364-F368 VanDerWaalsContact CB-CD1 3.47Å; K364-F368 HydrophobicContact CB-CE1 4.14Å; K364-F368 HydrophobicContact CB-CG 3.91Å; K364-F368 HydrophobicContact CG-CD1 3.94Å; K364-F368 HydrophobicContact CG-CE1 4.08Å; K364-F368 VanDerWaalsContact O-CB 3.24Å; K364-F368 WeakPolarHBondContact O-CB 3.38Å; G365-F368 PolarHBondContact O-N 2.81Å; Q366-F368 PolarHBondContact O-N 2.71Å; F368-H370 PolarHBondContact O-N 3.06Å; F368-Q371 WeakPolarHBondContact O-CB 3.36Å; F368-Q371 PolarHBondContact O-N 2.96Å; F368-Q371 VanDerWaalsContact O-N 3.16Å; F368-I372 HydrophobicContact CE1-CG1 4.18Å; F368-I372 HydrophobicContact CE2-CD1 4.43Å; F368-I372 HydrophobicContact CE2-CG1 4.24Å; F368-I372 HydrophobicContact CZ-CD1 4.47Å; F368-I372 HydrophobicContact CZ-CG1 4.03Å; F368-I372 WeakPolarHBondContact O-CG1 3.42Å; F368-I372 PolarHBondContact O-N 2.81Å
369	V	78.1	Confident	73.4	Confident	1 Å²	1	64 Å²	64	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-40.1	-179.9	-178.5	0	0	0	0	111.2	A351 P355 L360 L361 Q366 I372 Q373	A351-V369 HydrophobicContact CB-CG2 4.17Å; P355-V369 HydrophobicContact CB-CG1 3.46Å; P355-V369 VanDerWaalsContact CB-CG1 3.46Å; L360-V369 HydrophobicContact CD1-CG2 4.48Å; L360-V369 HydrophobicContact CD2-CG2 3.68Å; L360-V369 HydrophobicContact CG-CG2 3.82Å; L361-V369 HydrophobicContact CD2-CB 4.08Å; L361-V369 HydrophobicContact CD2-CG1 4.45Å; L361-V369 HydrophobicContact CD2-CG2 3.74Å; Q366-V369 PolarHBondContact O-N 2.84Å; V369-I372 PolarHBondContact O-N 3.23Å; V369-Q373 HydrophobicContact CG1-CG 4.23Å; V369-Q373 WeakPolarHBondContact O-CB 3.24Å; V369-Q373 VanDerWaalsContact O-CG 3.29Å; V369-Q373 WeakPolarHBondContact O-CG 3.28Å; V369-Q373 PolarHBondContact O-N 3.46Å
370	H	73.8	Confident	71.5	Confident	105 Å²	105	67.4 Å²	67.4	49%	0.486	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-38.9	171.2	-76	168.2	0	0	0	112.5	Q366 D367 F368 A374	Q366-H370 VanDerWaalsContact CG-CE1 3.48Å; Q366-H370 WeakPolarHBondContact CG-CE1 3.07Å; Q366-H370 PolarHBondContact NE2-NE2 2.87Å; Q366-H370 WeakPolarHBondContact O-CB 3.24Å; Q366-H370 PolarHBondContact O-N 2.83Å; D367-H370 PolarHBondContact O-N 3.19Å; F368-H370 PolarHBondContact O-N 3.06Å; H370-A374 WeakPolarHBondContact O-CB 3.43Å; H370-A374 PolarHBondContact O-N 2.85Å
371	Q	72.8	Confident	69.6	Low	124 Å²	124	72 Å²	72	58%	0.579	35%	0.35	S	S	*	.	H	α-helix	trans	-64.1	-42.4	176	-169.4	-176.9	45.6	0	0	111.5	D367 F368 R375	D367-Q371 VanDerWaalsContact O-CB 3.32Å; D367-Q371 WeakPolarHBondContact O-CB 3.5Å; D367-Q371 PolarHBondContact O-N 2.95Å; F368-Q371 WeakPolarHBondContact O-CB 3.36Å; F368-Q371 PolarHBondContact O-N 2.96Å; F368-Q371 VanDerWaalsContact O-N 3.16Å; Q371-R375 WeakPolarHBondContact O-CB 3.35Å; Q371-R375 PolarHBondContact O-N 3.31Å
372	I	71.8	Confident	67.7	Low	3 Å²	3	74.9 Å²	74.9	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-69.2	-45.6	176.5	-62.3	-51.3	0	0	0	111.6	V348 A351 K352 F368 V369 A374 R375 F376	V348-I372 HydrophobicContact CG1-CD1 4.14Å; V348-I372 HydrophobicContact CG1-CG2 4.46Å; V348-I372 HydrophobicContact CG2-CD1 4.28Å; A351-I372 HydrophobicContact CB-CB 3.99Å; A351-I372 HydrophobicContact CB-CG1 4.07Å; A351-I372 HydrophobicContact CB-CG2 3.97Å; K352-I372 HydrophobicContact CB-CG2 4.17Å; F368-I372 HydrophobicContact CE1-CG1 4.18Å; F368-I372 HydrophobicContact CE2-CD1 4.43Å; F368-I372 HydrophobicContact CE2-CG1 4.24Å; F368-I372 HydrophobicContact CZ-CD1 4.47Å; F368-I372 HydrophobicContact CZ-CG1 4.03Å; F368-I372 WeakPolarHBondContact O-CG1 3.42Å; F368-I372 PolarHBondContact O-N 2.81Å; V369-I372 PolarHBondContact O-N 3.23Å; I372-A374 VanDerWaalsContact C-N 3.31Å; I372-A374 PolarHBondContact O-N 3.2Å; I372-R375 WeakPolarHBondContact O-CA 3.07Å; I372-R375 VanDerWaalsContact O-CB 3.28Å; I372-R375 WeakPolarHBondContact O-CB 3.45Å; I372-R375 PolarHBondContact O-N 2.88Å; I372-R375 VanDerWaalsContact O-N 3.08Å; I372-F376 HydrophobicContact CG2-CD2 3.88Å; I372-F376 HydrophobicContact CG2-CE2 3.82Å; I372-F376 WeakPolarHBondContact O-CD2 3.28Å; I372-F376 PolarHBondContact O-N 3.33Å; I372-F376 VanDerWaalsContact O-N 3.08Å
373	Q	70.2	Confident	66	Low	58 Å²	58	71.4 Å²	71.4	27%	0.271	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-32	176	-70.1	-67.7	-49.2	0	0	112.4	A351 K352 P355 V369 R375 F376 P377	A351-Q373 PolarHBondContact O-NE2 2.59Å; K352-Q373 PolarHBondContact O-NE2 2.77Å; P355-Q373 HydrophobicContact CB-CG 3.79Å; P355-Q373 HydrophobicContact CG-CG 4.29Å; V369-Q373 HydrophobicContact CG1-CG 4.23Å; V369-Q373 WeakPolarHBondContact O-CB 3.24Å; V369-Q373 VanDerWaalsContact O-CG 3.29Å; V369-Q373 WeakPolarHBondContact O-CG 3.28Å; V369-Q373 PolarHBondContact O-N 3.46Å; Q373-R375 VanDerWaalsContact C-N 3.35Å; Q373-F376 CarbonylContact O-C 3.49Å; Q373-F376 PolarHBondContact O-N 2.73Å; Q373-P377 WeakPolarHBondContact O-CA 3.37Å
374	A	60.8	Low	63.9	Low	50 Å²	50	70 Å²	70	41%	0.413	34%	0.343	S	S	.	.	H	α-helix	trans	-75.7	-21	172	0	0	0	0	0	113.1	R54 H370 I372	R54-A374 PolarHBondContact NH1-O 3.29Å; H370-A374 WeakPolarHBondContact O-CB 3.43Å; H370-A374 PolarHBondContact O-N 2.85Å; I372-A374 VanDerWaalsContact C-N 3.31Å; I372-A374 PolarHBondContact O-N 3.2Å
375	R	58.2	Low	61.6	Low	83 Å²	83	70.8 Å²	70.8	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-73.1	-31.1	168.2	-159.4	-179.3	-168.7	152.8	3.3	111.3	Q371 I372 Q373 E446	Q371-R375 WeakPolarHBondContact O-CB 3.35Å; Q371-R375 PolarHBondContact O-N 3.31Å; I372-R375 WeakPolarHBondContact O-CA 3.07Å; I372-R375 VanDerWaalsContact O-CB 3.28Å; I372-R375 WeakPolarHBondContact O-CB 3.45Å; I372-R375 PolarHBondContact O-N 2.88Å; I372-R375 VanDerWaalsContact O-N 3.08Å; Q373-R375 VanDerWaalsContact C-N 3.35Å; R375-E446 IonicContact CZ-OE1 2.67Å; R375-E446 VanDerWaalsContact CZ-OE1 3.25Å; R375-E446 IonicContact CZ-OE2 3.56Å; R375-E446 IonicContact NE-OE1 3.86Å; R375-E446 PolarHBondContact NE-OE1 2.85Å; R375-E446 IonicContact NH2-OE1 2.97Å; R375-E446 PolarHBondContact NH2-OE1 3.35Å; R375-E446 IonicContact NH2-OE2 2.8Å; R375-E446 PolarHBondContact NH2-OE2 3.37Å
376	F	56.6	Low	59.8	Low	14 Å²	14	73.3 Å²	73.3	6%	0.061	36%	0.364	C	S	.	.	S	Bend	trans	-130.2	55.7	-175.8	-42.3	-51.7	0	0	0	114	V348 K352 I372 Q373 L379 S444	V348-F376 HydrophobicContact CG1-CE2 4.4Å; K352-F376 HydrophobicContact CB-CD2 4.25Å; K352-F376 HydrophobicContact CB-CE2 4.4Å; K352-F376 HydrophobicContact CD-CD2 4.05Å; K352-F376 HydrophobicContact CD-CE2 4.05Å; K352-F376 HydrophobicContact CG-CD2 3.82Å; K352-F376 HydrophobicContact CG-CE2 4.21Å; I372-F376 HydrophobicContact CG2-CD2 3.88Å; I372-F376 HydrophobicContact CG2-CE2 3.82Å; I372-F376 WeakPolarHBondContact O-CD2 3.28Å; I372-F376 PolarHBondContact O-N 3.33Å; I372-F376 VanDerWaalsContact O-N 3.08Å; Q373-F376 CarbonylContact O-C 3.49Å; Q373-F376 PolarHBondContact O-N 2.73Å; F376-L379 HydrophobicContact CB-CD1 3.53Å; F376-L379 HydrophobicContact CB-CG 4.14Å; F376-L379 HydrophobicContact CG-CD1 4.19Å; F376-S444 WeakPolarHBondContact CE1-O 3.49Å; F376-S444 WeakPolarHBondContact CZ-O 3.31Å
377	P	47.7	Very low	57.7	Low	66 Å²	66	70.4 Å²	70.4	43%	0.429	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	151.6	-178.4	28.6	-35.7	0	0	0	111.2	Q373 L379	Q373-P377 WeakPolarHBondContact O-CA 3.37Å; P377-L379 VanDerWaalsContact C-N 3.26Å; P377-L379 PolarHBondContact O-N 3.2Å
378	R	52.7	Low	55.8	Low	168 Å²	168	68.1 Å²	68.1	63%	0.634	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-2.6	177.7	-59.3	-77	-147.4	176.1	16	117.5	F380 E381 Q382	R378-F380 PolarHBondContact O-N 3.06Å; R378-F380 VanDerWaalsContact O-N 3.13Å; R378-E381 WeakPolarHBondContact CD-OE2 3.18Å; R378-E381 IonicContact CZ-OE1 3.57Å; R378-E381 IonicContact CZ-OE2 3.8Å; R378-E381 IonicContact NE-OE2 2.69Å; R378-E381 IonicContact NH1-OE1 3.22Å; R378-E381 PolarHBondContact NH1-OE1 3.22Å; R378-E381 IonicContact NH1-OE2 2.74Å; R378-E381 PolarHBondContact NH1-OE2 3.07Å; R378-E381 CarbonylContact O-C 3.55Å; R378-E381 WeakPolarHBondContact O-CA 3.04Å; R378-E381 WeakPolarHBondContact O-CB 3.47Å; R378-E381 PolarHBondContact O-N 3.33Å; R378-Q382 PolarHBondContact O-N 2.99Å
379	L	55.1	Low	53.3	Low	26 Å²	26	72.4 Å²	72.4	14%	0.136	38%	0.376	C	S	.	.	H	α-helix	trans	-42.9	-54.7	-173.8	-104	175.6	0	0	0	115.3	K352 W353 F376 P377 E381 Q382 L383	K352-L379 HydrophobicContact CD-CD1 4.17Å; K352-L379 HydrophobicContact CG-CD1 3.72Å; W353-L379 HydrophobicContact CH2-CD2 4.48Å; F376-L379 HydrophobicContact CB-CD1 3.53Å; F376-L379 HydrophobicContact CB-CG 4.14Å; F376-L379 HydrophobicContact CG-CD1 4.19Å; P377-L379 VanDerWaalsContact C-N 3.26Å; P377-L379 PolarHBondContact O-N 3.2Å; L379-E381 VanDerWaalsContact C-N 3.31Å; L379-E381 PolarHBondContact O-N 3.36Å; L379-Q382 PolarHBondContact O-N 2.9Å; L379-L383 WeakPolarHBondContact O-CB 3.33Å; L379-L383 WeakPolarHBondContact O-CD1 3.31Å; L379-L383 WeakPolarHBondContact O-CG 3.43Å; L379-L383 PolarHBondContact O-N 2.76Å
380	F	48.1	Very low	51.1	Low	93 Å²	93	77.7 Å²	77.7	41%	0.408	41%	0.413	S	S	.	.	H	α-helix	trans	-65	-33.7	-178.7	-165.6	-100.3	0	0	0	113.1	R378 L384 V637	R378-F380 PolarHBondContact O-N 3.06Å; R378-F380 VanDerWaalsContact O-N 3.13Å; F380-L384 HydrophobicContact CD1-CD1 3.94Å; F380-L384 HydrophobicContact CE1-CD1 3.78Å; F380-L384 HydrophobicContact CE1-CG 4.44Å; F380-L384 WeakPolarHBondContact O-CG 3.31Å; F380-L384 PolarHBondContact O-N 3.27Å; F380-V637 HydrophobicContact CE2-CB 4.29Å; F380-V637 HydrophobicContact CE2-CG1 4.03Å; F380-V637 HydrophobicContact CE2-CG2 4.21Å; F380-V637 HydrophobicContact CZ-CG1 4.47Å
381	E	49	Very low	49.2	Very low	96 Å²	96	76.4 Å²	76.4	45%	0.449	42%	0.416	S	S	.	.	H	α-helix	trans	-75.4	-37	177.7	-168.3	178.9	165.7	0	0	111.7	R378 L379 L383 L384 T385	R378-E381 WeakPolarHBondContact CD-OE2 3.18Å; R378-E381 IonicContact CZ-OE1 3.57Å; R378-E381 IonicContact CZ-OE2 3.8Å; R378-E381 IonicContact NE-OE2 2.69Å; R378-E381 IonicContact NH1-OE1 3.22Å; R378-E381 PolarHBondContact NH1-OE1 3.22Å; R378-E381 IonicContact NH1-OE2 2.74Å; R378-E381 PolarHBondContact NH1-OE2 3.07Å; R378-E381 CarbonylContact O-C 3.55Å; R378-E381 WeakPolarHBondContact O-CA 3.04Å; R378-E381 WeakPolarHBondContact O-CB 3.47Å; R378-E381 PolarHBondContact O-N 3.33Å; L379-E381 VanDerWaalsContact C-N 3.31Å; L379-E381 PolarHBondContact O-N 3.36Å; E381-L383 VanDerWaalsContact C-N 3.34Å; E381-L384 PolarHBondContact O-N 3.38Å; E381-T385 PolarHBondContact O-N 3.25Å; E381-T385 PolarHBondContact O-OG1 3.45Å
382	Q	47.8	Very low	47.1	Very low	109 Å²	109	81.5 Å²	81.5	51%	0.509	43%	0.43	S	S	.	.	H	α-helix	trans	-66.4	-38.5	175.1	-166.7	169.4	3.9	0	0	111	R378 L379 T385 T386	R378-Q382 PolarHBondContact O-N 2.99Å; L379-Q382 PolarHBondContact O-N 2.9Å; Q382-T385 PolarHBondContact O-N 3.17Å; Q382-T386 PolarHBondContact O-N 2.75Å; Q382-T386 PolarHBondContact O-OG1 3.25Å
383	L	50.7	Low	45	Very low	20 Å²	20	90.4 Å²	90.4	11%	0.105	47%	0.472	C	S	.	.	H	α-helix	trans	-64.9	-41.2	174.1	-71.9	163.2	0	0	0	112.8	W353 L379 E381 T386 G387 P609	W353-L383 HydrophobicContact CH2-CD1 4Å; W353-L383 HydrophobicContact CZ3-CD1 3.53Å; L379-L383 WeakPolarHBondContact O-CB 3.33Å; L379-L383 WeakPolarHBondContact O-CD1 3.31Å; L379-L383 WeakPolarHBondContact O-CG 3.43Å; L379-L383 PolarHBondContact O-N 2.76Å; E381-L383 VanDerWaalsContact C-N 3.34Å; L383-T386 WeakPolarHBondContact CA-OG1 3.46Å; L383-T386 PolarHBondContact O-N 3.35Å; L383-T386 PolarHBondContact O-OG1 2.93Å; L383-G387 PolarHBondContact O-N 2.91Å; L383-P609 VanDerWaalsContact CD2-C 3.48Å; L383-P609 HydrophobicContact CD2-CB 4.08Å; L383-P609 WeakPolarHBondContact CD2-O 3.43Å
384	L	45.3	Very low	42.9	Very low	81 Å²	81	96.6 Å²	96.6	42%	0.424	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-41.4	172.5	-69.4	169.8	0	0	0	111.3	F380 E381 T386 G387	F380-L384 HydrophobicContact CD1-CD1 3.94Å; F380-L384 HydrophobicContact CE1-CD1 3.78Å; F380-L384 HydrophobicContact CE1-CG 4.44Å; F380-L384 WeakPolarHBondContact O-CG 3.31Å; F380-L384 PolarHBondContact O-N 3.27Å; E381-L384 PolarHBondContact O-N 3.38Å; L384-T386 VanDerWaalsContact C-N 3.28Å; L384-T386 PolarHBondContact O-N 2.95Å; L384-G387 PolarHBondContact O-N 3.28Å
385	T	40.7	Very low	41.3	Very low	95 Å²	95	100.8 Å²	100.8	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-60.7	-35.7	175.7	-49.5	0	0	0	0	112.2	E381 Q382 G387	E381-T385 PolarHBondContact O-N 3.25Å; E381-T385 PolarHBondContact O-OG1 3.45Å; Q382-T385 PolarHBondContact O-N 3.17Å; T385-G387 VanDerWaalsContact C-N 3.28Å; T385-G387 PolarHBondContact O-N 3Å
386	T	41.9	Very low	39.7	Very low	82 Å²	82	102.1 Å²	102.1	50%	0.503	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.2	174	47.6	0	0	0	0	114.7	Q382 L383 L384	Q382-T386 PolarHBondContact O-N 2.75Å; Q382-T386 PolarHBondContact O-OG1 3.25Å; L383-T386 WeakPolarHBondContact CA-OG1 3.46Å; L383-T386 PolarHBondContact O-N 3.35Å; L383-T386 PolarHBondContact O-OG1 2.93Å; L384-T386 VanDerWaalsContact C-N 3.28Å; L384-T386 PolarHBondContact O-N 2.95Å
387	G	36.7	Very low	38.2	Very low	31 Å²	31	106.4 Å²	106.4	32%	0.32	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.6	-7.1	175.8	0	0	0	0	0	114.5	L383 L384 T385	L383-G387 PolarHBondContact O-N 2.91Å; L384-G387 PolarHBondContact O-N 3.28Å; T385-G387 VanDerWaalsContact C-N 3.28Å; T385-G387 PolarHBondContact O-N 3Å
388	D	31.3	Very low	37.1	Very low	83 Å²	83	109 Å²	109	44%	0.444	58%	0.578	S	S	.	*			trans	-130.5	42.6	-167.7	-164.4	-0.3	0	0	0	112.2	S390 S391	D388-S390 PolarHBondContact O-N 3.1Å; D388-S391 VanDerWaalsContact CG-OG 3.3Å; D388-S391 WeakPolarHBondContact OD1-CB 3.32Å; D388-S391 PolarHBondContact OD1-OG 2.79Å; D388-S391 PolarHBondContact OD2-OG 3.4Å
389	T	29.2	Very low	36	Very low	132 Å²	132	106.5 Å²	106.5	81%	0.81	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	49.2	173.3	56.7	0	0	0	0	111.8
390	S	33.8	Very low	34.5	Very low	113 Å²	113	111 Å²	111	79%	0.79	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.5	-18.4	175.2	59.9	0	0	0	0	115.3	D388	D388-S390 PolarHBondContact O-N 3.1Å
391	S	33.9	Very low	33.7	Very low	77 Å²	77	114.7 Å²	114.7	54%	0.538	63%	0.627	S	S	.	*	S	Bend	trans	-126.5	37.7	-166.9	81.3	0	0	0	0	117.4	D388	D388-S391 VanDerWaalsContact CG-OG 3.3Å; D388-S391 WeakPolarHBondContact OD1-CB 3.32Å; D388-S391 PolarHBondContact OD1-OG 2.79Å; D388-S391 PolarHBondContact OD2-OG 3.4Å
392	R	27.4	Very low	32.6	Very low	231 Å²	231	116.4 Å²	116.4	87%	0.872	64%	0.639	S	S	*	*			trans	-130.3	127.1	164.1	-84.9	-170	162.1	145.1	0.9	114.2
393	E	28.8	Very low	31.5	Very low	191 Å²	191	113.8 Å²	113.8	89%	0.893	64%	0.641	S	S	*	*			trans	-63	144.4	175.7	-62.4	175.9	109	0	0	111.7
394	F	24.8	Very low	30.7	Very low	187 Å²	187	119.8 Å²	119.8	82%	0.82	68%	0.681	S	S	*	*			trans	-73.5	127.8	177.6	-86.7	-120.2	0	0	0	111.1
395	V	28.2	Very low	30.2	Very low	138 Å²	138	119.5 Å²	119.5	84%	0.836	70%	0.697	S	S	*	*			trans	-120	101.5	153.6	-178.1	0	0	0	0	106.3	P397	V395-P397 WeakPolarHBondContact O-CD 3.43Å
396	D	23.6	Very low	29.7	Very low	112 Å²	112	123 Å²	123	60%	0.599	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-58.4	123	-169.2	-82.4	-30.4	0	0	0	113.7
397	P	24.7	Very low	29.5	Very low	104 Å²	104	125.4 Å²	125.4	68%	0.675	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-67.3	149.4	143.1	-5	24.3	0	0	0	108.7	V395 V399	V395-P397 WeakPolarHBondContact O-CD 3.43Å; P397-V399 PolarHBondContact O-N 2.97Å
398	P	26.4	Very low	29.7	Very low	121 Å²	121	132.7 Å²	132.7	79%	0.786	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-61.7	129.3	-167.2	23.5	-34.3	0	0	0	113.6	V400	P398-V400 PolarHBondContact O-N 2.93Å
399	V	28.4	Very low	30.6	Very low	115 Å²	115	133.3 Å²	133.3	70%	0.697	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.6	122.6	178.2	176.1	0	0	0	0	111.3	P397 H401	P397-V399 PolarHBondContact O-N 2.97Å; V399-H401 HydrophobicContact CG1-CB 4.4Å
400	V	24.1	Very low	31.3	Very low	120 Å²	120	133.4 Å²	133.4	73%	0.727	73%	0.733	S	S	*	*			trans	-112.9	100.9	163.6	-162.7	0	0	0	0	107.7	P398 L402	P398-V400 PolarHBondContact O-N 2.93Å; V400-L402 HydrophobicContact CG1-CD1 4.33Å; V400-L402 HydrophobicContact CG1-CG 4.32Å; V400-L402 PolarHBondContact O-N 3.01Å
401	H	31	Very low	32.2	Very low	171 Å²	171	129.8 Å²	129.8	79%	0.792	71%	0.705	S	S	*	*			trans	-81.8	108.7	-178	-173.7	88.8	0	0	0	110.3	V399	V399-H401 HydrophobicContact CG1-CB 4.4Å
402	L	25.5	Very low	33.2	Very low	132 Å²	132	128 Å²	128	69%	0.691	69%	0.694	S	S	*	*			trans	-124.7	143.4	175.6	-67.1	171.9	0	0	0	110	V400	V400-L402 HydrophobicContact CG1-CD1 4.33Å; V400-L402 HydrophobicContact CG1-CG 4.32Å; V400-L402 PolarHBondContact O-N 3.01Å
403	G	25.9	Very low	34.5	Very low	54 Å²	54	121.8 Å²	121.8	56%	0.557	68%	0.682	S	S	*	*			trans	-80.9	170.9	-165	0	0	0	0	0	115.5	G405	G403-G405 PolarHBondContact O-N 3.37Å; G403-G405 VanDerWaalsContact O-N 3.16Å
404	P	33.2	Very low	36.3	Very low	145 Å²	145	114.4 Å²	114.4	94%	0.942	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	106.8	179	29.6	-33.8	0	0	0	111.1
405	G	34	Very low	38.8	Very low	75 Å²	75	105.7 Å²	105.7	77%	0.773	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.9	-23.2	175.6	0	0	0	0	0	117.3	G403	G403-G405 PolarHBondContact O-N 3.37Å; G403-G405 VanDerWaalsContact O-N 3.16Å
406	E	30.6	Very low	40.9	Very low	169 Å²	169	103 Å²	103	79%	0.79	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-97.7	122	-173.8	-61.4	-174.5	137.1	0	0	112.5	R408	E406-R408 PolarHBondContact O-N 3.09Å
407	E	37.8	Very low	43.6	Very low	132 Å²	132	99.3 Å²	99.3	62%	0.617	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-59.4	132.8	164.2	-81.6	-165.8	139.1	0	0	108.5	S409 R430	E407-S409 PolarHBondContact O-N 2.92Å; E407-R430 IonicContact OE1-NH2 2.68Å; E407-R430 PolarHBondContact OE1-NH2 2.87Å; E407-R430 IonicContact OE2-NH2 2.75Å
408	R	40.8	Very low	46.1	Very low	185 Å²	185	99.3 Å²	99.3	70%	0.698	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-59.4	130.4	177.6	-74	-171.7	178.1	-171	1.7	110.3	E406 E410 D411	E406-R408 PolarHBondContact O-N 3.09Å; R408-E410 IonicContact NH1-OE2 2.76Å; R408-E410 PolarHBondContact O-N 3.35Å; R408-D411 PolarHBondContact O-N 3.2Å
409	S	49.9	Very low	48.8	Very low	95 Å²	95	94.6 Å²	94.6	66%	0.664	54%	0.541	S	S	*	.	H	α-helix	trans	-48.5	-30.8	178.6	-175.2	0	0	0	0	114	E407 A412 V413	E407-S409 PolarHBondContact O-N 2.92Å; S409-A412 WeakPolarHBondContact O-CB 3.48Å; S409-A412 PolarHBondContact O-N 3.44Å; S409-V413 PolarHBondContact O-N 3.33Å
410	E	44.5	Very low	51.5	Low	135 Å²	135	89.1 Å²	89.1	63%	0.631	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-44.2	177.2	-56.2	171.3	131.6	0	0	113.1	R408 A412 V413 M414	R408-E410 IonicContact NH1-OE2 2.76Å; R408-E410 PolarHBondContact O-N 3.35Å; E410-A412 VanDerWaalsContact C-N 3.28Å; E410-A412 PolarHBondContact O-N 3.19Å; E410-V413 PolarHBondContact O-N 3.17Å; E410-M414 PolarHBondContact O-N 3.28Å
411	D	52.9	Low	54.3	Low	37 Å²	37	87.2 Å²	87.2	20%	0.198	49%	0.49	C	S	.	.	H	α-helix	trans	-63.4	-37.6	177.9	-90.8	-0.6	0	0	0	111.1	R408 V413 M414 M415 K434	R408-D411 PolarHBondContact O-N 3.2Å; D411-V413 PolarHBondContact O-N 2.97Å; D411-M414 WeakPolarHBondContact OD1-CE 2.99Å; D411-M415 WeakPolarHBondContact O-CB 3.49Å; D411-M415 VanDerWaalsContact O-CG 3.28Å; D411-M415 WeakPolarHBondContact O-CG 3.36Å; D411-M415 PolarHBondContact O-N 3.41Å; D411-K434 WeakPolarHBondContact OD1-CE 3.41Å; D411-K434 IonicContact OD1-NZ 3.32Å; D411-K434 PolarHBondContact OD1-NZ 3.45Å; D411-K434 IonicContact OD2-NZ 3.13Å; D411-K434 PolarHBondContact OD2-NZ 3.43Å
412	A	53.9	Low	56.9	Low	38 Å²	38	81.1 Å²	81.1	31%	0.314	47%	0.466	S	S	.	.	H	α-helix	trans	-62.6	-42.8	-179.9	0	0	0	0	0	111.4	S409 E410 N416	S409-A412 WeakPolarHBondContact O-CB 3.48Å; S409-A412 PolarHBondContact O-N 3.44Å; E410-A412 VanDerWaalsContact C-N 3.28Å; E410-A412 PolarHBondContact O-N 3.19Å; A412-N416 VanDerWaalsContact O-CB 3.24Å; A412-N416 WeakPolarHBondContact O-CB 3.3Å; A412-N416 PolarHBondContact O-N 3.07Å; A412-N416 PolarHBondContact O-ND2 3.44Å
413	V	54.8	Low	59.8	Low	102 Å²	102	74.9 Å²	74.9	62%	0.618	43%	0.433	S	S	*	.	H	α-helix	trans	-69.4	-48.5	-175.9	179.8	0	0	0	0	111.7	S409 E410 D411 M415 N416	S409-V413 PolarHBondContact O-N 3.33Å; E410-V413 PolarHBondContact O-N 3.17Å; D411-V413 PolarHBondContact O-N 2.97Å; V413-M415 VanDerWaalsContact C-N 3.33Å; V413-M415 PolarHBondContact O-N 2.78Å; V413-N416 PolarHBondContact O-N 3.28Å
414	M	67.8	Low	62.8	Low	35 Å²	35	74.7 Å²	74.7	17%	0.172	42%	0.419	C	S	.	.	H	α-helix	trans	-66.9	-34.1	-178.1	63.9	168.1	168	0	0	112.8	E410 D411 N416 I420 K434 V437 I441	E410-M414 PolarHBondContact O-N 3.28Å; D411-M414 WeakPolarHBondContact OD1-CE 2.99Å; M414-N416 VanDerWaalsContact C-N 3.35Å; M414-N416 PolarHBondContact O-N 2.79Å; M414-I420 WeakPolarHBondContact O-CD1 3.22Å; M414-K434 HydrophobicContact CE-CD 4.23Å; M414-K434 HydrophobicContact CE-CG 3.95Å; M414-V437 HydrophobicContact SD-CG1 4.3Å; M414-I441 HydrophobicContact CB-CD1 4.36Å
415	M	76.8	Confident	65.4	Low	4 Å²	4	75 Å²	75	2%	0.02	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.5	-178.1	-61.2	-60.5	-75.6	0	0	114.5	D411 V413 I420 L424 R430 V433 K434 V437	D411-M415 WeakPolarHBondContact O-CB 3.49Å; D411-M415 VanDerWaalsContact O-CG 3.28Å; D411-M415 WeakPolarHBondContact O-CG 3.36Å; D411-M415 PolarHBondContact O-N 3.41Å; V413-M415 VanDerWaalsContact C-N 3.33Å; V413-M415 PolarHBondContact O-N 2.78Å; M415-I420 HydrophobicContact CE-CG2 4.43Å; M415-I420 HydrophobicContact SD-CG2 4.43Å; M415-L424 HydrophobicContact CE-CD1 4.46Å; M415-R430 HydrophobicContact CE-CG 3.94Å; M415-V433 HydrophobicContact CE-CB 4.15Å; M415-V433 HydrophobicContact CE-CG1 3.85Å; M415-K434 HydrophobicContact CE-CB 3.97Å; M415-K434 HydrophobicContact SD-CB 3.88Å; M415-K434 HydrophobicContact SD-CG 4.35Å; M415-V437 HydrophobicContact SD-CG1 4.22Å
416	N	73.3	Confident	67.8	Low	82 Å²	82	76.9 Å²	76.9	44%	0.439	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.4	-174.4	-95.8	-79.5	0	0	0	115.8	A412 V413 M414 K421	A412-N416 VanDerWaalsContact O-CB 3.24Å; A412-N416 WeakPolarHBondContact O-CB 3.3Å; A412-N416 PolarHBondContact O-N 3.07Å; A412-N416 PolarHBondContact O-ND2 3.44Å; V413-N416 PolarHBondContact O-N 3.28Å; M414-N416 VanDerWaalsContact C-N 3.35Å; M414-N416 PolarHBondContact O-N 2.79Å; N416-K421 WeakPolarHBondContact O-CE 3.09Å; N416-K421 PolarHBondContact O-NZ 3.45Å; N416-K421 WeakPolarHBondContact OD1-CE 3.26Å; N416-K421 PolarHBondContact OD1-NZ 3.5Å
417	T	79.9	Confident	70.5	Confident	35 Å²	35	71.8 Å²	71.8	22%	0.215	39%	0.392	C	S	.	.	S	Bend	trans	-64.3	152.8	177.8	79.7	0	0	0	0	111.2	V419 I420 K421	T417-V419 VanDerWaalsContact C-N 3.28Å; T417-V419 PolarHBondContact O-N 3.4Å; T417-I420 HydrophobicContact CG2-CD1 4.23Å; T417-I420 PolarHBondContact O-N 2.79Å; T417-I420 WeakPolarHBondContact OG1-CB 3.21Å; T417-I420 WeakPolarHBondContact OG1-CD1 3.37Å; T417-I420 WeakPolarHBondContact OG1-CG1 3.36Å; T417-I420 PolarHBondContact OG1-N 3Å; T417-K421 WeakPolarHBondContact O-CB 3.31Å; T417-K421 WeakPolarHBondContact O-CG 3.18Å; T417-K421 PolarHBondContact O-N 3.02Å
418	P	76.6	Confident	72.8	Confident	103 Å²	103	67.1 Å²	67.1	67%	0.669	37%	0.369	S	S	*	.	H	α-helix	trans	-58.2	-40.4	177.7	-24.9	34.8	0	0	0	112.7	I420 K421 S422	P418-I420 PolarHBondContact O-N 3.21Å; P418-K421 PolarHBondContact O-N 3.3Å; P418-S422 PolarHBondContact O-N 3.39Å; P418-S422 PolarHBondContact O-OG 3.1Å
419	V	84.1	Confident	75	Confident	22 Å²	22	62.4 Å²	62.4	13%	0.133	36%	0.358	C	S	.	.	H	α-helix	trans	-60.6	-44.2	179	176.7	0	0	0	0	111.5	T417 A423 T450 V451 L454	T417-V419 VanDerWaalsContact C-N 3.28Å; T417-V419 PolarHBondContact O-N 3.4Å; V419-A423 PolarHBondContact O-N 2.91Å; V419-T450 WeakPolarHBondContact CG1-O 3.13Å; V419-V451 HydrophobicContact CB-CG2 4.47Å; V419-V451 HydrophobicContact CG1-CG2 4.13Å; V419-L454 HydrophobicContact CG1-CB 4.14Å; V419-L454 HydrophobicContact CG1-CD2 3.91Å
420	I	85.1	Confident	76.6	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-75.2	-36	-179.5	-69.6	165.3	0	0	0	111.4	M414 M415 T417 P418 A423 L424 V433 V437 L454	M414-I420 WeakPolarHBondContact O-CD1 3.22Å; M415-I420 HydrophobicContact CE-CG2 4.43Å; M415-I420 HydrophobicContact SD-CG2 4.43Å; T417-I420 HydrophobicContact CG2-CD1 4.23Å; T417-I420 PolarHBondContact O-N 2.79Å; T417-I420 WeakPolarHBondContact OG1-CB 3.21Å; T417-I420 WeakPolarHBondContact OG1-CD1 3.37Å; T417-I420 WeakPolarHBondContact OG1-CG1 3.36Å; T417-I420 PolarHBondContact OG1-N 3Å; P418-I420 PolarHBondContact O-N 3.21Å; I420-A423 PolarHBondContact O-N 2.79Å; I420-L424 HydrophobicContact CG2-CD1 4.12Å; I420-L424 WeakPolarHBondContact O-CG 3.44Å; I420-L424 PolarHBondContact O-N 3.22Å; I420-V433 HydrophobicContact CG2-CG1 3.77Å; I420-V437 HydrophobicContact CD1-CB 4.19Å; I420-V437 HydrophobicContact CD1-CG1 4.16Å; I420-V437 HydrophobicContact CD1-CG2 3.73Å; I420-V437 HydrophobicContact CG1-CG2 4.01Å; I420-L454 HydrophobicContact CB-CD2 4.41Å; I420-L454 HydrophobicContact CG1-CD2 3.78Å
421	K	82.5	Confident	78.3	Confident	81 Å²	81	59.9 Å²	59.9	35%	0.352	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-47.1	171.6	-79.7	171.5	170.6	151.6	0	111.8	N416 T417 P418 A423 L424 E425	N416-K421 WeakPolarHBondContact O-CE 3.09Å; N416-K421 PolarHBondContact O-NZ 3.45Å; N416-K421 WeakPolarHBondContact OD1-CE 3.26Å; N416-K421 PolarHBondContact OD1-NZ 3.5Å; T417-K421 WeakPolarHBondContact O-CB 3.31Å; T417-K421 WeakPolarHBondContact O-CG 3.18Å; T417-K421 PolarHBondContact O-N 3.02Å; P418-K421 PolarHBondContact O-N 3.3Å; K421-A423 VanDerWaalsContact C-N 3.29Å; K421-A423 PolarHBondContact O-N 3.38Å; K421-L424 PolarHBondContact O-N 3.2Å; K421-L424 VanDerWaalsContact O-N 3.12Å; K421-E425 WeakPolarHBondContact O-CB 3.49Å; K421-E425 VanDerWaalsContact O-CG 3.26Å; K421-E425 WeakPolarHBondContact O-CG 3.3Å; K421-E425 PolarHBondContact O-N 3.11Å
422	S	85.8	Confident	79.8	Confident	43 Å²	43	58.6 Å²	58.6	30%	0.301	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-35.5	175.8	-62.5	0	0	0	0	113.1	P418 E425 M426	P418-S422 PolarHBondContact O-N 3.39Å; P418-S422 PolarHBondContact O-OG 3.1Å; S422-E425 PolarHBondContact O-N 2.83Å; S422-M426 WeakPolarHBondContact O-CB 3.08Å; S422-M426 VanDerWaalsContact O-CG 3.22Å; S422-M426 WeakPolarHBondContact O-CG 3.33Å; S422-M426 PolarHBondContact O-N 3.04Å
423	A	86.5	Confident	81.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-38.3	173.7	0	0	0	0	0	113	V419 I420 K421 M426 G427 F428 L454 L458	V419-A423 PolarHBondContact O-N 2.91Å; I420-A423 PolarHBondContact O-N 2.79Å; K421-A423 VanDerWaalsContact C-N 3.29Å; K421-A423 PolarHBondContact O-N 3.38Å; A423-M426 PolarHBondContact O-N 2.88Å; A423-G427 PolarHBondContact O-N 3.17Å; A423-F428 HydrophobicContact CB-CD2 4.45Å; A423-F428 WeakPolarHBondContact O-CD2 3.45Å; A423-F428 PolarHBondContact O-N 2.93Å; A423-L454 HydrophobicContact CB-CD2 3.56Å; A423-L454 HydrophobicContact CB-CG 4.12Å; A423-L458 HydrophobicContact CB-CD1 3.95Å
424	L	87.6	Confident	82.7	Confident	50 Å²	50	55 Å²	55	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-68.2	-37.7	173.8	-65.6	168	0	0	0	111.6	M415 I420 K421 M426 G427 R430 V433	M415-L424 HydrophobicContact CE-CD1 4.46Å; I420-L424 HydrophobicContact CG2-CD1 4.12Å; I420-L424 WeakPolarHBondContact O-CG 3.44Å; I420-L424 PolarHBondContact O-N 3.22Å; K421-L424 PolarHBondContact O-N 3.2Å; K421-L424 VanDerWaalsContact O-N 3.12Å; L424-M426 VanDerWaalsContact C-N 3.3Å; L424-M426 PolarHBondContact O-N 3.08Å; L424-G427 PolarHBondContact O-N 3.23Å; L424-R430 HydrophobicContact CD2-CB 4.11Å; L424-R430 HydrophobicContact CD2-CG 4.5Å; L424-V433 HydrophobicContact CD2-CB 4.22Å; L424-V433 HydrophobicContact CD2-CG1 4.37Å; L424-V433 HydrophobicContact CD2-CG2 4.08Å
425	E	87.4	Confident	83	Confident	151 Å²	151	59.3 Å²	59.3	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-66.5	-29.7	173.7	-71.9	161.6	-171.4	0	0	112.4	K421 S422 G427	K421-E425 WeakPolarHBondContact O-CB 3.49Å; K421-E425 VanDerWaalsContact O-CG 3.26Å; K421-E425 WeakPolarHBondContact O-CG 3.3Å; K421-E425 PolarHBondContact O-N 3.11Å; S422-E425 PolarHBondContact O-N 2.83Å; E425-G427 PolarHBondContact O-N 3.44Å
426	M	84.8	Confident	83.2	Confident	115 Å²	115	59.7 Å²	59.7	57%	0.567	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.9	169.1	-73.3	172.3	68.5	0	0	113.7	S422 A423 L424 F428 V451 V455	S422-M426 WeakPolarHBondContact O-CB 3.08Å; S422-M426 VanDerWaalsContact O-CG 3.22Å; S422-M426 WeakPolarHBondContact O-CG 3.33Å; S422-M426 PolarHBondContact O-N 3.04Å; A423-M426 PolarHBondContact O-N 2.88Å; L424-M426 VanDerWaalsContact C-N 3.3Å; L424-M426 PolarHBondContact O-N 3.08Å; M426-F428 HydrophobicContact CB-CD2 4.2Å; M426-F428 HydrophobicContact CB-CE2 4.4Å; M426-F428 HydrophobicContact CE-CE2 4.25Å; M426-V451 HydrophobicContact SD-CG1 4.14Å; M426-V455 HydrophobicContact CE-CG1 4.46Å; M426-V455 HydrophobicContact CE-CG2 3.94Å; M426-V455 HydrophobicContact SD-CG2 4.06Å
427	G	87.3	Confident	83.6	Confident	63 Å²	63	55.8 Å²	55.8	65%	0.649	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	11	174.9	0	0	0	0	0	115.9	A423 L424 E425	A423-G427 PolarHBondContact O-N 3.17Å; L424-G427 PolarHBondContact O-N 3.23Å; E425-G427 PolarHBondContact O-N 3.44Å
428	F	87.4	Confident	83.2	Confident	34 Å²	34	58.6 Å²	58.6	15%	0.149	31%	0.313	C	S	.	.			trans	-67.5	139.8	173.2	-75	-81.2	0	0	0	111.6	A423 M426 R430 V433 V455 L458 L459	A423-F428 HydrophobicContact CB-CD2 4.45Å; A423-F428 WeakPolarHBondContact O-CD2 3.45Å; A423-F428 PolarHBondContact O-N 2.93Å; M426-F428 HydrophobicContact CB-CD2 4.2Å; M426-F428 HydrophobicContact CB-CE2 4.4Å; M426-F428 HydrophobicContact CE-CE2 4.25Å; F428-R430 PolarHBondContact O-N 3.31Å; F428-V433 HydrophobicContact CB-CG2 3.69Å; F428-V455 HydrophobicContact CE2-CG1 4.2Å; F428-V455 HydrophobicContact CE2-CG2 3.98Å; F428-V455 HydrophobicContact CZ-CG1 4.09Å; F428-L458 HydrophobicContact CB-CD1 4.21Å; F428-L458 HydrophobicContact CD1-CB 4.05Å; F428-L458 HydrophobicContact CD1-CD1 4.11Å; F428-L458 HydrophobicContact CD2-CD1 3.99Å; F428-L458 HydrophobicContact CE1-CB 3.92Å; F428-L458 HydrophobicContact CE1-CD1 4.49Å; F428-L458 HydrophobicContact CE2-CD1 4.38Å; F428-L458 HydrophobicContact CG-CD1 3.84Å; F428-L458 HydrophobicContact CZ-CB 4.37Å; F428-L459 HydrophobicContact CE1-CD2 4.19Å; F428-L459 HydrophobicContact CE1-CG 4.46Å; F428-L459 HydrophobicContact CZ-CD2 4.18Å; F428-L459 HydrophobicContact CZ-CG 4.27Å
429	D	86.2	Confident	82.7	Confident	85 Å²	85	55.6 Å²	55.6	46%	0.455	29%	0.294	S	S	.	.			trans	-62	133.5	-177.8	171.4	-104.2	0	0	0	113	S431 L432 V433	D429-S431 VanDerWaalsContact C-N 3.26Å; D429-S431 PolarHBondContact O-N 2.9Å; D429-S431 WeakPolarHBondContact OD1-CA 3.42Å; D429-S431 VanDerWaalsContact OD1-CB 3.27Å; D429-S431 WeakPolarHBondContact OD1-CB 3.4Å; D429-S431 PolarHBondContact OD1-N 2.72Å; D429-S431 PolarHBondContact OD1-OG 3Å; D429-L432 HydrophobicContact CB-CB 4.22Å; D429-L432 PolarHBondContact O-N 3.32Å; D429-L432 PolarHBondContact OD1-N 3.14Å; D429-V433 VanDerWaalsContact O-CG2 3.31Å; D429-V433 WeakPolarHBondContact O-CG2 3.38Å; D429-V433 PolarHBondContact O-N 2.87Å
430	R	83.8	Confident	82.1	Confident	107 Å²	107	55.2 Å²	55.2	40%	0.404	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-30.6	-176.5	-178.6	174.5	164.7	90.9	-12.5	112.9	E407 M415 L424 F428 K434	E407-R430 IonicContact OE1-NH2 2.68Å; E407-R430 PolarHBondContact OE1-NH2 2.87Å; E407-R430 IonicContact OE2-NH2 2.75Å; M415-R430 HydrophobicContact CE-CG 3.94Å; L424-R430 HydrophobicContact CD2-CB 4.11Å; L424-R430 HydrophobicContact CD2-CG 4.5Å; F428-R430 PolarHBondContact O-N 3.31Å; R430-K434 VanDerWaalsContact O-CB 3.29Å; R430-K434 WeakPolarHBondContact O-CB 3.13Å; R430-K434 PolarHBondContact O-N 3.11Å
431	S	80.5	Confident	81.4	Confident	70 Å²	70	58 Å²	58	49%	0.49	31%	0.305	S	S	.	.	H	α-helix	trans	-76.4	-42.1	177.6	80.7	0	0	0	0	112	D429 K434 Q435	D429-S431 VanDerWaalsContact C-N 3.26Å; D429-S431 PolarHBondContact O-N 2.9Å; D429-S431 WeakPolarHBondContact OD1-CA 3.42Å; D429-S431 VanDerWaalsContact OD1-CB 3.27Å; D429-S431 WeakPolarHBondContact OD1-CB 3.4Å; D429-S431 PolarHBondContact OD1-N 2.72Å; D429-S431 PolarHBondContact OD1-OG 3Å; S431-K434 PolarHBondContact O-N 3.03Å; S431-Q435 WeakPolarHBondContact O-CB 3.35Å; S431-Q435 PolarHBondContact O-N 2.89Å
432	L	84.4	Confident	80.1	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-44.6	173	-179.6	65.6	0	0	0	111.1	D429 Q435 T436 L458 A461 E462	D429-L432 HydrophobicContact CB-CB 4.22Å; D429-L432 PolarHBondContact O-N 3.32Å; D429-L432 PolarHBondContact OD1-N 3.14Å; L432-Q435 PolarHBondContact O-N 3.5Å; L432-T436 VanDerWaalsContact O-CB 3.31Å; L432-T436 WeakPolarHBondContact O-CB 3.47Å; L432-T436 PolarHBondContact O-N 3.22Å; L432-T436 PolarHBondContact O-OG1 3.05Å; L432-L458 HydrophobicContact CG-CD2 4.16Å; L432-A461 HydrophobicContact CD1-CB 4.03Å; L432-E462 HydrophobicContact CD2-CB 3.98Å; L432-E462 HydrophobicContact CD2-CG 4.23Å
433	V	86.1	Confident	78.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-48.2	176.4	177.1	0	0	0	0	110.9	M415 I420 L424 F428 D429 Q435 T436 V437 L458	M415-V433 HydrophobicContact CE-CB 4.15Å; M415-V433 HydrophobicContact CE-CG1 3.85Å; I420-V433 HydrophobicContact CG2-CG1 3.77Å; L424-V433 HydrophobicContact CD2-CB 4.22Å; L424-V433 HydrophobicContact CD2-CG1 4.37Å; L424-V433 HydrophobicContact CD2-CG2 4.08Å; F428-V433 HydrophobicContact CB-CG2 3.69Å; D429-V433 VanDerWaalsContact O-CG2 3.31Å; D429-V433 WeakPolarHBondContact O-CG2 3.38Å; D429-V433 PolarHBondContact O-N 2.87Å; V433-Q435 PolarHBondContact O-N 3Å; V433-T436 PolarHBondContact O-N 3.23Å; V433-V437 HydrophobicContact CG1-CG2 4.42Å; V433-V437 WeakPolarHBondContact O-CG2 3.24Å; V433-V437 PolarHBondContact O-N 3.08Å; V433-L458 HydrophobicContact CB-CD2 4.3Å; V433-L458 HydrophobicContact CG2-CD1 4.01Å; V433-L458 HydrophobicContact CG2-CD2 3.77Å
434	K	82.1	Confident	77	Confident	63 Å²	63	57.9 Å²	57.9	27%	0.274	31%	0.307	S	S	.	.	H	α-helix	trans	-56.8	-50	175.8	179.9	176.7	173.3	177.2	0	111.7	D411 M414 M415 R430 S431 T436 V437 Q438	D411-K434 WeakPolarHBondContact OD1-CE 3.41Å; D411-K434 IonicContact OD1-NZ 3.32Å; D411-K434 PolarHBondContact OD1-NZ 3.45Å; D411-K434 IonicContact OD2-NZ 3.13Å; D411-K434 PolarHBondContact OD2-NZ 3.43Å; M414-K434 HydrophobicContact CE-CD 4.23Å; M414-K434 HydrophobicContact CE-CG 3.95Å; M415-K434 HydrophobicContact CE-CB 3.97Å; M415-K434 HydrophobicContact SD-CB 3.88Å; M415-K434 HydrophobicContact SD-CG 4.35Å; R430-K434 VanDerWaalsContact O-CB 3.29Å; R430-K434 WeakPolarHBondContact O-CB 3.13Å; R430-K434 PolarHBondContact O-N 3.11Å; S431-K434 PolarHBondContact O-N 3.03Å; K434-T436 VanDerWaalsContact C-N 3.33Å; K434-T436 PolarHBondContact O-N 3.43Å; K434-V437 PolarHBondContact O-N 3.19Å; K434-Q438 WeakPolarHBondContact O-CB 3.39Å; K434-Q438 PolarHBondContact O-N 2.98Å
435	Q	76	Confident	75.4	Confident	127 Å²	127	56.8 Å²	56.8	59%	0.593	31%	0.307	S	S	*	.	H	α-helix	trans	-62.3	-39.5	-179.6	-177.2	176.6	-17.1	0	0	112	S431 L432 V433 S439	S431-Q435 WeakPolarHBondContact O-CB 3.35Å; S431-Q435 PolarHBondContact O-N 2.89Å; L432-Q435 PolarHBondContact O-N 3.5Å; V433-Q435 PolarHBondContact O-N 3Å; Q435-S439 WeakPolarHBondContact O-CB 3.23Å; Q435-S439 PolarHBondContact O-N 2.88Å
436	T	80.4	Confident	74.2	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-69	-47.1	-179.8	-55.1	0	0	0	0	111.3	L432 V433 K434 S439 K440 D457 L458	L432-T436 VanDerWaalsContact O-CB 3.31Å; L432-T436 WeakPolarHBondContact O-CB 3.47Å; L432-T436 PolarHBondContact O-N 3.22Å; L432-T436 PolarHBondContact O-OG1 3.05Å; V433-T436 PolarHBondContact O-N 3.23Å; K434-T436 VanDerWaalsContact C-N 3.33Å; K434-T436 PolarHBondContact O-N 3.43Å; T436-S439 WeakPolarHBondContact O-CB 3.1Å; T436-S439 PolarHBondContact O-N 3.48Å; T436-K440 PolarHBondContact O-N 3.41Å; T436-D457 HydrophobicContact CG2-CB 4.19Å; T436-L458 HydrophobicContact CG2-CD2 4.05Å; T436-L458 HydrophobicContact CG2-CG 4.43Å
437	V	81.4	Confident	73.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-72.5	-32.5	178.1	76.7	0	0	0	0	112.4	M414 M415 I420 V433 K434 K440 I441 Y448 L454	M414-V437 HydrophobicContact SD-CG1 4.3Å; M415-V437 HydrophobicContact SD-CG1 4.22Å; I420-V437 HydrophobicContact CD1-CB 4.19Å; I420-V437 HydrophobicContact CD1-CG1 4.16Å; I420-V437 HydrophobicContact CD1-CG2 3.73Å; I420-V437 HydrophobicContact CG1-CG2 4.01Å; V433-V437 HydrophobicContact CG1-CG2 4.42Å; V433-V437 WeakPolarHBondContact O-CG2 3.24Å; V433-V437 PolarHBondContact O-N 3.08Å; K434-V437 PolarHBondContact O-N 3.19Å; V437-K440 PolarHBondContact O-N 3.12Å; V437-I441 WeakPolarHBondContact O-CB 3.26Å; V437-I441 WeakPolarHBondContact O-CD1 3.42Å; V437-I441 WeakPolarHBondContact O-CG1 3.27Å; V437-I441 PolarHBondContact O-N 2.97Å; V437-Y448 HydrophobicContact CB-CD2 4.36Å; V437-Y448 HydrophobicContact CB-CE2 4.34Å; V437-Y448 HydrophobicContact CG2-CD2 3.78Å; V437-Y448 HydrophobicContact CG2-CE2 3.87Å; V437-L454 HydrophobicContact CG2-CD1 3.87Å
438	Q	72.4	Confident	73.3	Confident	95 Å²	95	45.9 Å²	45.9	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-42.2	171.9	-174.6	176	-2	0	0	111.2	K434 I441 L442	K434-Q438 WeakPolarHBondContact O-CB 3.39Å; K434-Q438 PolarHBondContact O-N 2.98Å; Q438-I441 PolarHBondContact O-N 3.49Å; Q438-L442 HydrophobicContact CG-CD1 4.35Å; Q438-L442 VanDerWaalsContact O-CG 3.31Å; Q438-L442 WeakPolarHBondContact O-CG 3.48Å; Q438-L442 PolarHBondContact O-N 3.36Å
439	S	66.1	Low	72.7	Confident	40 Å²	40	52.6 Å²	52.6	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-56.5	-52.8	170.4	176.5	0	0	0	0	110.5	Q435 T436 I441 L442 T443 K634	Q435-S439 WeakPolarHBondContact O-CB 3.23Å; Q435-S439 PolarHBondContact O-N 2.88Å; T436-S439 WeakPolarHBondContact O-CB 3.1Å; T436-S439 PolarHBondContact O-N 3.48Å; S439-I441 PolarHBondContact O-N 3.08Å; S439-L442 PolarHBondContact O-N 3.47Å; S439-L442 VanDerWaalsContact O-N 3.13Å; S439-T443 WeakPolarHBondContact O-CG2 3.44Å; S439-T443 PolarHBondContact O-N 2.83Å; S439-T443 PolarHBondContact O-OG1 3.36Å; S439-T443 VanDerWaalsContact O-OG1 3.06Å; S439-K634 PolarHBondContact OG-NZ 3.22Å
440	K	70.2	Confident	72.5	Confident	13 Å²	13	51.4 Å²	51.4	6%	0.057	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-36	-179.6	-160.7	70	175.8	-172.3	0	113.3	E341 D344 T436 V437 T443 S444 Y448 D457	E341-K440 WeakPolarHBondContact OE2-CD 3.16Å; E341-K440 IonicContact OE2-NZ 3.81Å; E341-K440 PolarHBondContact OE2-NZ 2.99Å; D344-K440 IonicContact OD1-NZ 3.89Å; D344-K440 PolarHBondContact OD1-NZ 3.49Å; T436-K440 PolarHBondContact O-N 3.41Å; V437-K440 PolarHBondContact O-N 3.12Å; K440-T443 WeakPolarHBondContact CA-OG1 3.45Å; K440-S444 WeakPolarHBondContact O-CA 3.43Å; K440-S444 VanDerWaalsContact O-CB 3.3Å; K440-S444 WeakPolarHBondContact O-CB 3.22Å; K440-S444 PolarHBondContact O-N 3.27Å; K440-S444 PolarHBondContact O-OG 3.38Å; K440-Y448 HydrophobicContact CB-CD2 4.45Å; K440-Y448 HydrophobicContact CB-CE2 3.58Å; K440-Y448 HydrophobicContact CD-CE1 4.32Å; K440-Y448 HydrophobicContact CG-CD2 4.42Å; K440-Y448 HydrophobicContact CG-CE1 4.12Å; K440-Y448 HydrophobicContact CG-CE2 3.75Å; K440-D457 IonicContact NZ-OD2 2.93Å
441	I	69.9	Low	72.5	Confident	59 Å²	59	48.6 Å²	48.6	30%	0.303	25%	0.254	S	S	.	.	H	α-helix	trans	-69.2	-34.9	175.8	-71.1	164.2	0	0	0	110.7	M414 V437 Q438 S439 G445 E446 N447	M414-I441 HydrophobicContact CB-CD1 4.36Å; V437-I441 WeakPolarHBondContact O-CB 3.26Å; V437-I441 WeakPolarHBondContact O-CD1 3.42Å; V437-I441 WeakPolarHBondContact O-CG1 3.27Å; V437-I441 PolarHBondContact O-N 2.97Å; Q438-I441 PolarHBondContact O-N 3.49Å; S439-I441 PolarHBondContact O-N 3.08Å; I441-G445 WeakPolarHBondContact O-CA 3.31Å; I441-G445 PolarHBondContact O-N 3.24Å; I441-E446 WeakPolarHBondContact CG1-O 3.21Å; I441-N447 HydrophobicContact CD1-CB 4.46Å; I441-N447 HydrophobicContact CG1-CB 4.42Å
442	L	56.7	Low	72.6	Confident	86 Å²	86	53 Å²	53	45%	0.45	27%	0.267	S	S	.	.	H	α-helix	trans	-73	-46.8	173.1	-66.5	168.7	0	0	0	111.6	K352 Q438 S439	K352-L442 PolarHBondContact NZ-O 3.33Å; Q438-L442 HydrophobicContact CG-CD1 4.35Å; Q438-L442 VanDerWaalsContact O-CG 3.31Å; Q438-L442 WeakPolarHBondContact O-CG 3.48Å; Q438-L442 PolarHBondContact O-N 3.36Å; S439-L442 PolarHBondContact O-N 3.47Å; S439-L442 VanDerWaalsContact O-N 3.13Å
443	T	52.6	Low	72.5	Confident	12 Å²	12	55.1 Å²	55.1	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-77.5	-28.9	-176.1	58.5	0	0	0	0	114.4	K352 S439 K440 K634	K352-T443 WeakPolarHBondContact CD-O 3.36Å; K352-T443 WeakPolarHBondContact CE-O 3.41Å; K352-T443 PolarHBondContact NZ-O 3.29Å; S439-T443 WeakPolarHBondContact O-CG2 3.44Å; S439-T443 PolarHBondContact O-N 2.83Å; S439-T443 PolarHBondContact O-OG1 3.36Å; S439-T443 VanDerWaalsContact O-OG1 3.06Å; K440-T443 WeakPolarHBondContact CA-OG1 3.45Å; T443-K634 HydrophobicContact CG2-CD 3.64Å
444	S	54.5	Low	72.5	Confident	24 Å²	24	55.1 Å²	55.1	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-116.5	-15.5	179.6	79.9	0	0	0	0	114.3	F376 K440 E446	F376-S444 WeakPolarHBondContact CE1-O 3.49Å; F376-S444 WeakPolarHBondContact CZ-O 3.31Å; K440-S444 WeakPolarHBondContact O-CA 3.43Å; K440-S444 VanDerWaalsContact O-CB 3.3Å; K440-S444 WeakPolarHBondContact O-CB 3.22Å; K440-S444 PolarHBondContact O-N 3.27Å; K440-S444 PolarHBondContact O-OG 3.38Å; S444-E446 PolarHBondContact O-N 2.88Å; S444-E446 PolarHBondContact OG-N 3.36Å; S444-E446 PolarHBondContact OG-O 3.49Å
445	G	53.8	Low	72.8	Confident	26 Å²	26	53.3 Å²	53.3	27%	0.268	27%	0.271	S	S	.	.	S	Bend	trans	68.9	7.3	-177.5	0	0	0	0	0	115.1	R50 I441	R50-G445 PolarHBondContact NH2-O 2.82Å; I441-G445 WeakPolarHBondContact O-CA 3.31Å; I441-G445 PolarHBondContact O-N 3.24Å
446	E	61.1	Low	73	Confident	40 Å²	40	49.2 Å²	49.2	19%	0.187	26%	0.256	C	S	.	.	S	Bend	trans	-132.9	168.7	177.1	-48.3	-147.3	138.1	0	0	110.2	R50 R375 I441 S444 R449	R50-E446 IonicContact CZ-OE1 2.72Å; R50-E446 VanDerWaalsContact CZ-OE1 3.3Å; R50-E446 IonicContact NH1-OE1 2.59Å; R50-E446 PolarHBondContact NH1-OE1 3.27Å; R50-E446 IonicContact NH2-OE1 2.84Å; R50-E446 PolarHBondContact NH2-OE1 2.95Å; R375-E446 IonicContact CZ-OE1 2.67Å; R375-E446 VanDerWaalsContact CZ-OE1 3.25Å; R375-E446 IonicContact CZ-OE2 3.56Å; R375-E446 IonicContact NE-OE1 3.86Å; R375-E446 PolarHBondContact NE-OE1 2.85Å; R375-E446 IonicContact NH2-OE1 2.97Å; R375-E446 PolarHBondContact NH2-OE1 3.35Å; R375-E446 IonicContact NH2-OE2 2.8Å; R375-E446 PolarHBondContact NH2-OE2 3.37Å; I441-E446 WeakPolarHBondContact CG1-O 3.21Å; S444-E446 PolarHBondContact O-N 2.88Å; S444-E446 PolarHBondContact OG-N 3.36Å; S444-E446 PolarHBondContact OG-O 3.49Å; E446-R449 IonicContact OE2-CZ 3.07Å; E446-R449 IonicContact OE2-NE 3.26Å; E446-R449 IonicContact OE2-NH2 3.75Å; E446-R449 PolarHBondContact OE2-NH2 2.96Å
447	N	74.6	Confident	73.1	Confident	47 Å²	47	49 Å²	49	25%	0.251	25%	0.254	S	S	.	.			trans	-106.2	159.5	177.4	-159.2	-14.7	0	0	0	109.8	I441 R449	I441-N447 HydrophobicContact CD1-CB 4.46Å; I441-N447 HydrophobicContact CG1-CB 4.42Å; N447-R449 PolarHBondContact O-N 3.42Å
448	Y	78.5	Confident	73.4	Confident	14 Å²	14	49 Å²	49	6%	0.055	25%	0.254	C	S	.	.			trans	-55.3	132.6	-175.7	-74.3	-80.7	0	0	0	112.8	V437 K440 E453 L454 D457	V437-Y448 HydrophobicContact CB-CD2 4.36Å; V437-Y448 HydrophobicContact CB-CE2 4.34Å; V437-Y448 HydrophobicContact CG2-CD2 3.78Å; V437-Y448 HydrophobicContact CG2-CE2 3.87Å; K440-Y448 HydrophobicContact CB-CD2 4.45Å; K440-Y448 HydrophobicContact CB-CE2 3.58Å; K440-Y448 HydrophobicContact CD-CE1 4.32Å; K440-Y448 HydrophobicContact CG-CD2 4.42Å; K440-Y448 HydrophobicContact CG-CE1 4.12Å; K440-Y448 HydrophobicContact CG-CE2 3.75Å; Y448-E453 HydrophobicContact CD1-CB 3.67Å; Y448-E453 HydrophobicContact CE1-CB 4.12Å; Y448-L454 HydrophobicContact CD1-CB 3.87Å; Y448-L454 HydrophobicContact CD2-CB 4.28Å; Y448-L454 HydrophobicContact CD2-CD1 3.66Å; Y448-L454 HydrophobicContact CD2-CG 4.43Å; Y448-L454 HydrophobicContact CE1-CB 4.39Å; Y448-L454 HydrophobicContact CE2-CD1 3.69Å; Y448-L454 HydrophobicContact CG-CB 3.79Å; Y448-L454 HydrophobicContact CG-CD1 4.08Å; Y448-L454 HydrophobicContact CG-CG 4.42Å; Y448-D457 HydrophobicContact CE1-CB 4.13Å; Y448-D457 VanDerWaalsContact CE1-OD2 3.23Å; Y448-D457 WeakPolarHBondContact CE1-OD2 3.06Å; Y448-D457 WeakPolarHBondContact OH-CB 3.23Å; Y448-D457 PolarHBondContact OH-OD2 2.66Å
449	R	75.9	Confident	74	Confident	175 Å²	175	48.6 Å²	48.6	66%	0.66	26%	0.255	S	S	*	.	S	Bend	trans	-96.1	-30.3	-175.9	-59.9	-178.2	-174.3	164.7	4.7	111.7	E446 N447 E453	E446-R449 IonicContact OE2-CZ 3.07Å; E446-R449 IonicContact OE2-NE 3.26Å; E446-R449 IonicContact OE2-NH2 3.75Å; E446-R449 PolarHBondContact OE2-NH2 2.96Å; N447-R449 PolarHBondContact O-N 3.42Å; R449-E453 PolarHBondContact N-OE2 3.28Å
450	T	81.3	Confident	74.6	Confident	60 Å²	60	49 Å²	49	37%	0.368	26%	0.258	S	S	.	.	S	Bend	trans	-126	153.3	174.5	70.4	0	0	0	0	112.3	V419 Q452 E453 L454	V419-T450 WeakPolarHBondContact CG1-O 3.13Å; T450-Q452 PolarHBondContact O-N 2.72Å; T450-E453 WeakPolarHBondContact CB-OE1 3.17Å; T450-E453 VanDerWaalsContact CG2-OE1 3.28Å; T450-E453 WeakPolarHBondContact CG2-OE1 3.3Å; T450-E453 PolarHBondContact N-OE2 2.9Å; T450-E453 VanDerWaalsContact N-OE2 3.07Å; T450-E453 PolarHBondContact O-N 2.89Å; T450-E453 VanDerWaalsContact OG1-CG 3.28Å; T450-E453 WeakPolarHBondContact OG1-CG 3.41Å; T450-E453 PolarHBondContact OG1-N 2.94Å; T450-E453 PolarHBondContact OG1-OE1 2.81Å; T450-L454 PolarHBondContact O-N 3.2Å
451	V	85	Confident	75	Confident	48 Å²	48	49.7 Å²	49.7	29%	0.291	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-29.4	173.5	-179	0	0	0	0	110.8	V419 M426 L454 V455	V419-V451 HydrophobicContact CB-CG2 4.47Å; V419-V451 HydrophobicContact CG1-CG2 4.13Å; M426-V451 HydrophobicContact SD-CG1 4.14Å; V451-L454 PolarHBondContact O-N 3.49Å; V451-V455 HydrophobicContact CG1-CG2 3.91Å; V451-V455 WeakPolarHBondContact O-CB 3.36Å; V451-V455 VanDerWaalsContact O-CG2 3.25Å; V451-V455 WeakPolarHBondContact O-CG2 3.47Å; V451-V455 PolarHBondContact O-N 3.44Å
452	Q	81.4	Confident	75.8	Confident	163 Å²	163	50.4 Å²	50.4	76%	0.762	27%	0.268	S	S	*	.	H	α-helix	trans	-67	-42.6	178	-175.7	176.8	-14.5	0	0	112.6	T450 S456	T450-Q452 PolarHBondContact O-N 2.72Å; Q452-S456 VanDerWaalsContact O-CB 3.26Å; Q452-S456 WeakPolarHBondContact O-CB 3.28Å; Q452-S456 PolarHBondContact O-N 3.33Å
453	E	82.3	Confident	76.8	Confident	55 Å²	55	49.8 Å²	49.8	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-58.3	-51.9	171.9	-69.4	143.7	-141.2	0	0	110.6	Y448 R449 T450 V455 S456 D457	Y448-E453 HydrophobicContact CD1-CB 3.67Å; Y448-E453 HydrophobicContact CE1-CB 4.12Å; R449-E453 PolarHBondContact N-OE2 3.28Å; T450-E453 WeakPolarHBondContact CB-OE1 3.17Å; T450-E453 VanDerWaalsContact CG2-OE1 3.28Å; T450-E453 WeakPolarHBondContact CG2-OE1 3.3Å; T450-E453 PolarHBondContact N-OE2 2.9Å; T450-E453 VanDerWaalsContact N-OE2 3.07Å; T450-E453 PolarHBondContact O-N 2.89Å; T450-E453 VanDerWaalsContact OG1-CG 3.28Å; T450-E453 WeakPolarHBondContact OG1-CG 3.41Å; T450-E453 PolarHBondContact OG1-N 2.94Å; T450-E453 PolarHBondContact OG1-OE1 2.81Å; E453-V455 PolarHBondContact O-N 3.21Å; E453-S456 WeakPolarHBondContact O-CB 3Å; E453-S456 PolarHBondContact O-N 2.91Å; E453-D457 PolarHBondContact O-N 3.49Å
454	L	86.2	Confident	77.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-45.9	-177.8	176.9	56.7	0	0	0	111.7	V419 I420 A423 V437 Y448 T450 V451 D457 L458	V419-L454 HydrophobicContact CG1-CB 4.14Å; V419-L454 HydrophobicContact CG1-CD2 3.91Å; I420-L454 HydrophobicContact CB-CD2 4.41Å; I420-L454 HydrophobicContact CG1-CD2 3.78Å; A423-L454 HydrophobicContact CB-CD2 3.56Å; A423-L454 HydrophobicContact CB-CG 4.12Å; V437-L454 HydrophobicContact CG2-CD1 3.87Å; Y448-L454 HydrophobicContact CD1-CB 3.87Å; Y448-L454 HydrophobicContact CD2-CB 4.28Å; Y448-L454 HydrophobicContact CD2-CD1 3.66Å; Y448-L454 HydrophobicContact CD2-CG 4.43Å; Y448-L454 HydrophobicContact CE1-CB 4.39Å; Y448-L454 HydrophobicContact CE2-CD1 3.69Å; Y448-L454 HydrophobicContact CG-CB 3.79Å; Y448-L454 HydrophobicContact CG-CD1 4.08Å; Y448-L454 HydrophobicContact CG-CG 4.42Å; T450-L454 PolarHBondContact O-N 3.2Å; V451-L454 PolarHBondContact O-N 3.49Å; L454-D457 PolarHBondContact O-N 3.49Å; L454-L458 HydrophobicContact CD1-CD1 3.77Å; L454-L458 HydrophobicContact CD1-CD2 4.34Å; L454-L458 HydrophobicContact CD1-CG 3.81Å; L454-L458 HydrophobicContact CD2-CD1 4.49Å; L454-L458 HydrophobicContact CG-CD1 3.71Å; L454-L458 HydrophobicContact CG-CG 4.23Å; L454-L458 VanDerWaalsContact O-CB 3.31Å; L454-L458 WeakPolarHBondContact O-CB 3.33Å; L454-L458 WeakPolarHBondContact O-CG 3.36Å; L454-L458 PolarHBondContact O-N 2.77Å
455	V	87.6	Confident	79.1	Confident	25 Å²	25	55.5 Å²	55.5	15%	0.152	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-36.6	179.3	171.4	0	0	0	0	111.8	M426 F428 V451 E453 L458 L459	M426-V455 HydrophobicContact CE-CG1 4.46Å; M426-V455 HydrophobicContact CE-CG2 3.94Å; M426-V455 HydrophobicContact SD-CG2 4.06Å; F428-V455 HydrophobicContact CE2-CG1 4.2Å; F428-V455 HydrophobicContact CE2-CG2 3.98Å; F428-V455 HydrophobicContact CZ-CG1 4.09Å; V451-V455 HydrophobicContact CG1-CG2 3.91Å; V451-V455 WeakPolarHBondContact O-CB 3.36Å; V451-V455 VanDerWaalsContact O-CG2 3.25Å; V451-V455 WeakPolarHBondContact O-CG2 3.47Å; V451-V455 PolarHBondContact O-N 3.44Å; E453-V455 PolarHBondContact O-N 3.21Å; V455-L458 PolarHBondContact O-N 2.89Å; V455-L459 HydrophobicContact CG1-CD1 3.93Å; V455-L459 HydrophobicContact CG1-CG 4.37Å; V455-L459 WeakPolarHBondContact O-CB 3.36Å; V455-L459 VanDerWaalsContact O-CG 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.34Å; V455-L459 PolarHBondContact O-N 2.83Å
456	S	81.6	Confident	80.2	Confident	40 Å²	40	60.1 Å²	60.1	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-47.4	173.2	176.5	0	0	0	0	111.8	S342 Q452 E453 S460	S342-S456 PolarHBondContact OG-OG 3.06Å; S342-S456 VanDerWaalsContact OG-OG 3.1Å; Q452-S456 VanDerWaalsContact O-CB 3.26Å; Q452-S456 WeakPolarHBondContact O-CB 3.28Å; Q452-S456 PolarHBondContact O-N 3.33Å; E453-S456 WeakPolarHBondContact O-CB 3Å; E453-S456 PolarHBondContact O-N 2.91Å; S456-S460 WeakPolarHBondContact O-CB 3.37Å; S456-S460 PolarHBondContact O-N 3.22Å; S456-S460 VanDerWaalsContact O-N 3.1Å; S456-S460 PolarHBondContact O-OG 3.01Å
457	D	82.7	Confident	80.6	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-74.5	-34.1	-178.3	-71.3	3	0	0	0	111.4	S342 T436 K440 Y448 E453 L454 S460 A461	S342-D457 PolarHBondContact N-OD1 3.16Å; T436-D457 HydrophobicContact CG2-CB 4.19Å; K440-D457 IonicContact NZ-OD2 2.93Å; Y448-D457 HydrophobicContact CE1-CB 4.13Å; Y448-D457 VanDerWaalsContact CE1-OD2 3.23Å; Y448-D457 WeakPolarHBondContact CE1-OD2 3.06Å; Y448-D457 WeakPolarHBondContact OH-CB 3.23Å; Y448-D457 PolarHBondContact OH-OD2 2.66Å; E453-D457 PolarHBondContact O-N 3.49Å; L454-D457 PolarHBondContact O-N 3.49Å; D457-S460 PolarHBondContact O-N 2.96Å; D457-A461 VanDerWaalsContact O-CB 3.26Å; D457-A461 WeakPolarHBondContact O-CB 3.3Å; D457-A461 PolarHBondContact O-N 3.49Å
458	L	86.9	Confident	80.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-45.5	173.5	-74.8	169.8	0	0	0	112.7	A423 F428 L432 V433 T436 L454 V455 S460 A461 E462	A423-L458 HydrophobicContact CB-CD1 3.95Å; F428-L458 HydrophobicContact CB-CD1 4.21Å; F428-L458 HydrophobicContact CD1-CB 4.05Å; F428-L458 HydrophobicContact CD1-CD1 4.11Å; F428-L458 HydrophobicContact CD2-CD1 3.99Å; F428-L458 HydrophobicContact CE1-CB 3.92Å; F428-L458 HydrophobicContact CE1-CD1 4.49Å; F428-L458 HydrophobicContact CE2-CD1 4.38Å; F428-L458 HydrophobicContact CG-CD1 3.84Å; F428-L458 HydrophobicContact CZ-CB 4.37Å; L432-L458 HydrophobicContact CG-CD2 4.16Å; V433-L458 HydrophobicContact CB-CD2 4.3Å; V433-L458 HydrophobicContact CG2-CD1 4.01Å; V433-L458 HydrophobicContact CG2-CD2 3.77Å; T436-L458 HydrophobicContact CG2-CD2 4.05Å; T436-L458 HydrophobicContact CG2-CG 4.43Å; L454-L458 HydrophobicContact CD1-CD1 3.77Å; L454-L458 HydrophobicContact CD1-CD2 4.34Å; L454-L458 HydrophobicContact CD1-CG 3.81Å; L454-L458 HydrophobicContact CD2-CD1 4.49Å; L454-L458 HydrophobicContact CG-CD1 3.71Å; L454-L458 HydrophobicContact CG-CG 4.23Å; L454-L458 VanDerWaalsContact O-CB 3.31Å; L454-L458 WeakPolarHBondContact O-CB 3.33Å; L454-L458 WeakPolarHBondContact O-CG 3.36Å; L454-L458 PolarHBondContact O-N 2.77Å; V455-L458 PolarHBondContact O-N 2.89Å; L458-S460 VanDerWaalsContact C-N 3.3Å; L458-S460 PolarHBondContact O-N 3.04Å; L458-A461 PolarHBondContact O-N 3.21Å; L458-E462 WeakPolarHBondContact O-CB 3.22Å; L458-E462 PolarHBondContact O-N 2.99Å
459	L	84.7	Confident	79.9	Confident	86 Å²	86	65.3 Å²	65.3	45%	0.45	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-40.9	175.2	-71.2	169.1	0	0	0	110.7	F428 V455 E462 D463	F428-L459 HydrophobicContact CE1-CD2 4.19Å; F428-L459 HydrophobicContact CE1-CG 4.46Å; F428-L459 HydrophobicContact CZ-CD2 4.18Å; F428-L459 HydrophobicContact CZ-CG 4.27Å; V455-L459 HydrophobicContact CG1-CD1 3.93Å; V455-L459 HydrophobicContact CG1-CG 4.37Å; V455-L459 WeakPolarHBondContact O-CB 3.36Å; V455-L459 VanDerWaalsContact O-CG 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.34Å; V455-L459 PolarHBondContact O-N 2.83Å; L459-E462 PolarHBondContact O-N 3.37Å; L459-D463 WeakPolarHBondContact O-CB 2.92Å; L459-D463 PolarHBondContact O-N 3.02Å
460	S	78.3	Confident	79.6	Confident	49 Å²	49	64.5 Å²	64.5	34%	0.343	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-40	175.4	-59.7	0	0	0	0	112.4	S456 D457 L458 Q464	S456-S460 WeakPolarHBondContact O-CB 3.37Å; S456-S460 PolarHBondContact O-N 3.22Å; S456-S460 VanDerWaalsContact O-N 3.1Å; S456-S460 PolarHBondContact O-OG 3.01Å; D457-S460 PolarHBondContact O-N 2.96Å; L458-S460 VanDerWaalsContact C-N 3.3Å; L458-S460 PolarHBondContact O-N 3.04Å; S460-Q464 VanDerWaalsContact O-CB 3.22Å; S460-Q464 WeakPolarHBondContact O-CB 3.44Å; S460-Q464 PolarHBondContact O-N 2.85Å
461	A	80.3	Confident	78.9	Confident	27 Å²	27	64.4 Å²	64.4	22%	0.223	31%	0.312	C	S	.	.	H	α-helix	trans	-72.3	-32.9	176.7	0	0	0	0	0	112.6	L432 D457 L458 K465	L432-A461 HydrophobicContact CD1-CB 4.03Å; D457-A461 VanDerWaalsContact O-CB 3.26Å; D457-A461 WeakPolarHBondContact O-CB 3.3Å; D457-A461 PolarHBondContact O-N 3.49Å; L458-A461 PolarHBondContact O-N 3.21Å; A461-K465 VanDerWaalsContact O-CB 3.22Å; A461-K465 WeakPolarHBondContact O-CB 3.31Å; A461-K465 PolarHBondContact O-N 3.41Å
462	E	85.6	Confident	77.7	Confident	75 Å²	75	65.2 Å²	65.2	35%	0.35	31%	0.313	S	S	.	.	H	α-helix	trans	-70.6	-47	173.3	-160.6	-159.8	108.2	0	0	111.3	L432 L458 L459 Q464 K465 R466	L432-E462 HydrophobicContact CD2-CB 3.98Å; L432-E462 HydrophobicContact CD2-CG 4.23Å; L458-E462 WeakPolarHBondContact O-CB 3.22Å; L458-E462 PolarHBondContact O-N 2.99Å; L459-E462 PolarHBondContact O-N 3.37Å; E462-Q464 VanDerWaalsContact C-N 3.29Å; E462-Q464 PolarHBondContact O-N 2.81Å; E462-K465 PolarHBondContact O-N 2.91Å; E462-R466 WeakPolarHBondContact O-CB 3.46Å; E462-R466 PolarHBondContact O-N 3.5Å; E462-R466 IonicContact OE1-CZ 3.9Å; E462-R466 IonicContact OE1-NE 3.06Å; E462-R466 IonicContact OE1-NH2 3.01Å; E462-R466 PolarHBondContact OE1-NH2 3.48Å
463	D	78.8	Confident	76.7	Confident	72 Å²	72	60.3 Å²	60.3	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-57.1	-44.6	173.4	-82.5	-3.9	0	0	0	111.2	L459 R466 E467	L459-D463 WeakPolarHBondContact O-CB 2.92Å; L459-D463 PolarHBondContact O-N 3.02Å; D463-R466 PolarHBondContact O-N 2.99Å; D463-R466 IonicContact OD1-CZ 3.97Å; D463-R466 VanDerWaalsContact OD1-CZ 3.22Å; D463-R466 IonicContact OD1-NH1 3.41Å; D463-R466 PolarHBondContact OD1-NH1 2.93Å; D463-R466 IonicContact OD1-NH2 3.3Å; D463-R466 PolarHBondContact OD1-NH2 3.28Å; D463-E467 PolarHBondContact O-N 2.94Å
464	Q	75.9	Confident	75.8	Confident	72 Å²	72	60.6 Å²	60.6	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-46.3	175.2	176.7	166.5	-10.7	0	0	111.8	S460 E462 R466 E467 E468 L632	S460-Q464 VanDerWaalsContact O-CB 3.22Å; S460-Q464 WeakPolarHBondContact O-CB 3.44Å; S460-Q464 PolarHBondContact O-N 2.85Å; E462-Q464 VanDerWaalsContact C-N 3.29Å; E462-Q464 PolarHBondContact O-N 2.81Å; Q464-R466 VanDerWaalsContact C-N 3.27Å; Q464-R466 PolarHBondContact O-N 3.34Å; Q464-E467 PolarHBondContact O-N 2.93Å; Q464-E468 HydrophobicContact CG-CG 4.2Å; Q464-E468 PolarHBondContact NE2-OE1 2.84Å; Q464-E468 WeakPolarHBondContact O-CB 3.4Å; Q464-E468 WeakPolarHBondContact O-CG 3.05Å; Q464-E468 PolarHBondContact O-N 3.49Å; Q464-L632 VanDerWaalsContact NE2-CD1 3.25Å
465	K	77.8	Confident	74.5	Confident	84 Å²	84	66.1 Å²	66.1	37%	0.365	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-39.5	176.2	179.7	178.4	176.8	-179.9	0	111.6	A461 E462 E468 E469	A461-K465 VanDerWaalsContact O-CB 3.22Å; A461-K465 WeakPolarHBondContact O-CB 3.31Å; A461-K465 PolarHBondContact O-N 3.41Å; E462-K465 PolarHBondContact O-N 2.91Å; K465-E468 PolarHBondContact O-N 3.36Å; K465-E469 WeakPolarHBondContact O-CG 3.34Å; K465-E469 PolarHBondContact O-N 2.99Å
466	R	77	Confident	73	Confident	124 Å²	124	65.5 Å²	65.5	47%	0.468	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-40.8	178.7	-149.6	-176.7	-48.5	107.3	1.6	111.8	E462 D463 Q464 R470	E462-R466 WeakPolarHBondContact O-CB 3.46Å; E462-R466 PolarHBondContact O-N 3.5Å; E462-R466 IonicContact OE1-CZ 3.9Å; E462-R466 IonicContact OE1-NE 3.06Å; E462-R466 IonicContact OE1-NH2 3.01Å; E462-R466 PolarHBondContact OE1-NH2 3.48Å; D463-R466 PolarHBondContact O-N 2.99Å; D463-R466 IonicContact OD1-CZ 3.97Å; D463-R466 VanDerWaalsContact OD1-CZ 3.22Å; D463-R466 IonicContact OD1-NH1 3.41Å; D463-R466 PolarHBondContact OD1-NH1 2.93Å; D463-R466 IonicContact OD1-NH2 3.3Å; D463-R466 PolarHBondContact OD1-NH2 3.28Å; Q464-R466 VanDerWaalsContact C-N 3.27Å; Q464-R466 PolarHBondContact O-N 3.34Å; R466-R470 WeakPolarHBondContact O-CB 3.45Å; R466-R470 PolarHBondContact O-N 2.85Å
467	E	70.9	Confident	71.8	Confident	90 Å²	90	68.3 Å²	68.3	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-75.6	-30.6	174	-162	65.9	-164.9	0	0	111.8	D463 Q464 R470 E471	D463-E467 PolarHBondContact O-N 2.94Å; Q464-E467 PolarHBondContact O-N 2.93Å; E467-R470 CarbonylContact O-C 3.55Å; E467-R470 WeakPolarHBondContact O-CB 3.05Å; E467-R470 PolarHBondContact O-N 2.69Å; E467-R470 WeakPolarHBondContact OE1-CD 3.45Å; E467-R470 IonicContact OE1-CZ 2.68Å; E467-R470 IonicContact OE1-NH1 3.19Å; E467-R470 PolarHBondContact OE1-NH1 2.92Å; E467-R470 VanDerWaalsContact OE2-CD 3.24Å; E467-R470 WeakPolarHBondContact OE2-CD 3.37Å; E467-R470 IonicContact OE2-CZ 2.66Å; E467-R470 IonicContact OE2-NH1 3.83Å; E467-R470 PolarHBondContact OE2-NH1 3.34Å; E467-E471 WeakPolarHBondContact O-CB 3.23Å; E467-E471 WeakPolarHBondContact O-CG 3.15Å; E467-E471 PolarHBondContact O-N 3.2Å
468	E	68.9	Low	70.5	Confident	55 Å²	55	72.1 Å²	72.1	26%	0.257	37%	0.369	S	S	.	.	H	α-helix	trans	-67.7	-37.9	172.6	-79.1	-178.9	-175.4	0	0	112.4	Q464 K465 R470 M472	Q464-E468 HydrophobicContact CG-CG 4.2Å; Q464-E468 PolarHBondContact NE2-OE1 2.84Å; Q464-E468 WeakPolarHBondContact O-CB 3.4Å; Q464-E468 WeakPolarHBondContact O-CG 3.05Å; Q464-E468 PolarHBondContact O-N 3.49Å; K465-E468 PolarHBondContact O-N 3.36Å; E468-R470 VanDerWaalsContact C-N 3.31Å; E468-M472 WeakPolarHBondContact O-CB 3.31Å; E468-M472 PolarHBondContact O-N 2.86Å
469	E	69.6	Low	69.4	Low	64 Å²	64	73.2 Å²	73.2	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-66.1	-35.1	170.8	-73.2	-172.3	141.3	0	0	111.4	K465 L473 R561	K465-E469 WeakPolarHBondContact O-CG 3.34Å; K465-E469 PolarHBondContact O-N 2.99Å; E469-L473 WeakPolarHBondContact O-CB 3.38Å; E469-L473 VanDerWaalsContact O-CG 3.23Å; E469-L473 WeakPolarHBondContact O-CG 3.5Å; E469-L473 PolarHBondContact O-N 2.83Å; E469-R561 IonicContact OE1-CZ 2.67Å; E469-R561 IonicContact OE1-NE 3.68Å; E469-R561 IonicContact OE1-NH2 2.68Å; E469-R561 PolarHBondContact OE1-NH2 3.26Å
470	R	69.5	Low	69	Low	158 Å²	158	72.3 Å²	72.3	60%	0.596	37%	0.372	S	S	*	.	H	α-helix	trans	-71	-43.7	175.4	-169.6	-169.6	-175.8	-167.2	1.3	112.9	R466 E467 E468 L473 A474	R466-R470 WeakPolarHBondContact O-CB 3.45Å; R466-R470 PolarHBondContact O-N 2.85Å; E467-R470 CarbonylContact O-C 3.55Å; E467-R470 WeakPolarHBondContact O-CB 3.05Å; E467-R470 PolarHBondContact O-N 2.69Å; E467-R470 WeakPolarHBondContact OE1-CD 3.45Å; E467-R470 IonicContact OE1-CZ 2.68Å; E467-R470 IonicContact OE1-NH1 3.19Å; E467-R470 PolarHBondContact OE1-NH1 2.92Å; E467-R470 VanDerWaalsContact OE2-CD 3.24Å; E467-R470 WeakPolarHBondContact OE2-CD 3.37Å; E467-R470 IonicContact OE2-CZ 2.66Å; E467-R470 IonicContact OE2-NH1 3.83Å; E467-R470 PolarHBondContact OE2-NH1 3.34Å; E468-R470 VanDerWaalsContact C-N 3.31Å; R470-L473 PolarHBondContact O-N 2.86Å; R470-A474 WeakPolarHBondContact O-CB 3.4Å; R470-A474 PolarHBondContact O-N 3.27Å
471	E	65.1	Low	68.9	Low	58 Å²	58	70 Å²	70	27%	0.271	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-46.2	171.1	-78.9	-174.9	158.9	0	0	110	E467 L473 A474 E475 K625	E467-E471 WeakPolarHBondContact O-CB 3.23Å; E467-E471 WeakPolarHBondContact O-CG 3.15Å; E467-E471 PolarHBondContact O-N 3.2Å; E471-L473 PolarHBondContact O-N 2.89Å; E471-A474 CarbonylContact O-C 3.31Å; E471-A474 WeakPolarHBondContact O-CB 3.2Å; E471-A474 PolarHBondContact O-N 3.03Å; E471-A474 VanDerWaalsContact O-N 3.11Å; E471-E475 WeakPolarHBondContact O-CB 3.35Å; E471-E475 WeakPolarHBondContact O-CG 3.14Å; E471-E475 PolarHBondContact O-N 3.3Å; E471-K625 WeakPolarHBondContact OE2-CE 3.25Å; E471-K625 IonicContact OE2-NZ 3.81Å; E471-K625 PolarHBondContact OE2-NZ 3.29Å
472	M	60.2	Low	68.9	Low	66 Å²	66	71.9 Å²	71.9	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-44	177.9	-176.5	-170.9	-50.4	0	0	111.9	E468 E475 A476 M564	E468-M472 WeakPolarHBondContact O-CB 3.31Å; E468-M472 PolarHBondContact O-N 2.86Å; M472-E475 PolarHBondContact O-N 2.79Å; M472-A476 PolarHBondContact O-N 3.25Å; M472-M564 HydrophobicContact CG-CE 3.41Å; M472-M564 VanDerWaalsContact CG-CE 3.41Å; M472-M564 HydrophobicContact CG-SD 3.66Å; M472-M564 WeakPolarHBondContact O-CE 3.29Å; M472-M564 HydrophobicContact SD-CE 4.42Å; M472-M564 HydrophobicContact SD-SD 4.15Å
473	L	61.5	Low	68.7	Low	60 Å²	60	70.7 Å²	70.7	31%	0.314	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-41.6	173.6	-73.4	167.2	0	0	0	111.7	E469 R470 E471 A476 M477 L560	E469-L473 WeakPolarHBondContact O-CB 3.38Å; E469-L473 VanDerWaalsContact O-CG 3.23Å; E469-L473 WeakPolarHBondContact O-CG 3.5Å; E469-L473 PolarHBondContact O-N 2.83Å; R470-L473 PolarHBondContact O-N 2.86Å; E471-L473 PolarHBondContact O-N 2.89Å; L473-A476 PolarHBondContact O-N 3.15Å; L473-M477 WeakPolarHBondContact O-CB 3.46Å; L473-M477 VanDerWaalsContact O-CG 3.26Å; L473-M477 WeakPolarHBondContact O-CG 3.24Å; L473-M477 PolarHBondContact O-N 3.01Å; L473-L560 HydrophobicContact CD2-CD2 3.59Å
474	A	62.3	Low	68.9	Low	60 Å²	60	67.5 Å²	67.5	50%	0.496	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-40	176.5	0	0	0	0	0	112.9	R470 E471 M477 A478	R470-A474 WeakPolarHBondContact O-CB 3.4Å; R470-A474 PolarHBondContact O-N 3.27Å; E471-A474 CarbonylContact O-C 3.31Å; E471-A474 WeakPolarHBondContact O-CB 3.2Å; E471-A474 PolarHBondContact O-N 3.03Å; E471-A474 VanDerWaalsContact O-N 3.11Å; A474-M477 CarbonylContact O-C 3.52Å; A474-M477 PolarHBondContact O-N 3.27Å; A474-A478 PolarHBondContact O-N 2.61Å
475	E	59.5	Low	69.3	Low	117 Å²	117	64 Å²	64	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-37.2	174.8	-74.6	175.9	174.2	0	0	111.7	E471 M472 A478	E471-E475 WeakPolarHBondContact O-CB 3.35Å; E471-E475 WeakPolarHBondContact O-CG 3.14Å; E471-E475 PolarHBondContact O-N 3.3Å; M472-E475 PolarHBondContact O-N 2.79Å; E475-A478 WeakPolarHBondContact O-CB 3.47Å; E475-A478 PolarHBondContact O-N 3.29Å
476	A	56.3	Low	69.5	Low	11 Å²	11	66 Å²	66	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-44.6	171.5	0	0	0	0	0	111.7	M472 L473 A478 S479 R549 M564	M472-A476 PolarHBondContact O-N 3.25Å; L473-A476 PolarHBondContact O-N 3.15Å; A476-A478 PolarHBondContact O-N 3.48Å; A476-S479 PolarHBondContact O-N 3.02Å; A476-S479 PolarHBondContact O-OG 3.12Å; A476-R549 PolarHBondContact O-NH2 3.27Å; A476-M564 HydrophobicContact CB-CE 3.84Å; A476-M564 HydrophobicContact CB-SD 3.76Å
477	M	55.9	Low	69.8	Low	99 Å²	99	67.5 Å²	67.5	49%	0.488	34%	0.338	S	S	.	.	H	α-helix	trans	-72.9	-10	178.1	-66.2	179.4	82.2	0	0	113.8	L473 A474 S479	L473-M477 WeakPolarHBondContact O-CB 3.46Å; L473-M477 VanDerWaalsContact O-CG 3.26Å; L473-M477 WeakPolarHBondContact O-CG 3.24Å; L473-M477 PolarHBondContact O-N 3.01Å; A474-M477 CarbonylContact O-C 3.52Å; A474-M477 PolarHBondContact O-N 3.27Å; M477-S479 PolarHBondContact O-N 3.25Å
478	A	55.7	Low	70.3	Confident	88 Å²	88	64 Å²	64	73%	0.727	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.2	170.5	0	0	0	0	0	113.3	A474 E475 A476	A474-A478 PolarHBondContact O-N 2.61Å; E475-A478 WeakPolarHBondContact O-CB 3.47Å; E475-A478 PolarHBondContact O-N 3.29Å; A476-A478 PolarHBondContact O-N 3.48Å
479	S	63.5	Low	70.9	Confident	22 Å²	22	65.1 Å²	65.1	15%	0.154	33%	0.327	C	S	.	.	S	Bend	trans	-93	152.5	167.3	64.2	0	0	0	0	111.3	A476 M477 R549	A476-S479 PolarHBondContact O-N 3.02Å; A476-S479 PolarHBondContact O-OG 3.12Å; M477-S479 PolarHBondContact O-N 3.25Å; S479-R549 VanDerWaalsContact O-CZ 3.28Å; S479-R549 PolarHBondContact O-NH1 3.34Å; S479-R549 PolarHBondContact O-NH2 3.4Å; S479-R549 PolarHBondContact OG-NH2 2.91Å
480	D	75.4	Confident	71.4	Confident	67 Å²	67	65.4 Å²	65.4	36%	0.358	34%	0.34	S	S	.	.			trans	-71.6	147.9	170.2	64.1	-64.6	0	0	0	111.5	F482 T483 F484 R549	D480-F482 PolarHBondContact O-N 2.96Å; D480-T483 VanDerWaalsContact CG-OG1 3.26Å; D480-T483 PolarHBondContact O-N 3.47Å; D480-T483 VanDerWaalsContact O-N 3.1Å; D480-T483 WeakPolarHBondContact OD1-CB 3.41Å; D480-T483 PolarHBondContact OD1-OG1 3.11Å; D480-T483 PolarHBondContact OD2-N 2.92Å; D480-T483 VanDerWaalsContact OD2-N 3.13Å; D480-T483 PolarHBondContact OD2-OG1 3.19Å; D480-T483 VanDerWaalsContact OD2-OG1 3.14Å; D480-F484 PolarHBondContact O-N 2.93Å; D480-F484 VanDerWaalsContact O-N 3.09Å; D480-R549 VanDerWaalsContact C-NH2 3.35Å; D480-R549 PolarHBondContact O-NH2 3.09Å
481	G	76.7	Confident	72	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-49.7	-44.2	-177.4	0	0	0	0	0	113.2	F484 V485 N542 A545 E546 R549	G481-F484 PolarHBondContact O-N 3.34Å; G481-V485 WeakPolarHBondContact O-CG2 3.11Å; G481-V485 PolarHBondContact O-N 3.39Å; G481-N542 WeakPolarHBondContact CA-OD1 3.26Å; G481-N542 PolarHBondContact N-OD1 3.33Å; G481-A545 VanDerWaalsContact C-CB 3.42Å; G481-E546 WeakPolarHBondContact CA-OE1 3.41Å; G481-E546 VanDerWaalsContact N-CD 3.33Å; G481-E546 PolarHBondContact N-OE1 2.9Å; G481-R549 VanDerWaalsContact CA-CZ 3.48Å
482	F	81.4	Confident	72.9	Confident	68 Å²	68	55.8 Å²	55.8	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-49.5	178.4	178.8	-95	0	0	0	111.8	D480 F484 V485 K486 L538 N542 A545	D480-F482 PolarHBondContact O-N 2.96Å; F482-F484 VanDerWaalsContact C-N 3.32Å; F482-F484 PolarHBondContact O-N 3.19Å; F482-V485 PolarHBondContact O-N 3.3Å; F482-K486 HydrophobicContact CE1-CD 3.97Å; F482-K486 HydrophobicContact CZ-CD 4.28Å; F482-K486 WeakPolarHBondContact O-CB 3.32Å; F482-K486 PolarHBondContact O-N 2.93Å; F482-L538 HydrophobicContact CD2-CD2 3.69Å; F482-L538 HydrophobicContact CE2-CB 4.18Å; F482-L538 HydrophobicContact CE2-CD2 3.74Å; F482-L538 WeakPolarHBondContact CE2-O 3.43Å; F482-L538 HydrophobicContact CG-CD2 4.39Å; F482-L538 HydrophobicContact CZ-CD2 4.48Å; F482-N542 HydrophobicContact CB-CB 4.19Å; F482-N542 WeakPolarHBondContact CB-OD1 3.43Å; F482-N542 PolarHBondContact N-OD1 3.35Å; F482-A545 HydrophobicContact CB-CB 4.33Å
483	T	80.4	Confident	74	Confident	50 Å²	50	53.5 Å²	53.5	31%	0.307	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-38.8	176.7	-64	0	0	0	0	112.6	D480 R487	D480-T483 VanDerWaalsContact CG-OG1 3.26Å; D480-T483 PolarHBondContact O-N 3.47Å; D480-T483 VanDerWaalsContact O-N 3.1Å; D480-T483 WeakPolarHBondContact OD1-CB 3.41Å; D480-T483 PolarHBondContact OD1-OG1 3.11Å; D480-T483 PolarHBondContact OD2-N 2.92Å; D480-T483 VanDerWaalsContact OD2-N 3.13Å; D480-T483 PolarHBondContact OD2-OG1 3.19Å; D480-T483 VanDerWaalsContact OD2-OG1 3.14Å; T483-R487 WeakPolarHBondContact O-CB 3.44Å; T483-R487 PolarHBondContact O-N 2.71Å
484	F	83.1	Confident	74.9	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-52.9	175.3	172.4	-90.1	0	0	0	112	D480 G481 F482 K486 R487 H488 R549 L560 L563	D480-F484 PolarHBondContact O-N 2.93Å; D480-F484 VanDerWaalsContact O-N 3.09Å; G481-F484 PolarHBondContact O-N 3.34Å; F482-F484 VanDerWaalsContact C-N 3.32Å; F482-F484 PolarHBondContact O-N 3.19Å; F484-K486 VanDerWaalsContact C-N 3.26Å; F484-K486 PolarHBondContact O-N 3.43Å; F484-R487 PolarHBondContact O-N 2.91Å; F484-H488 AromaticContact CD2-CD2 3.58Å; F484-H488 AromaticContact CE2-CD2 3.63Å; F484-H488 AromaticContact CE2-NE2 4Å; F484-H488 PolarHBondContact O-CD2 3.04Å; F484-H488 VanDerWaalsContact O-CD2 3.23Å; F484-H488 PolarHBondContact O-N 3.12Å; F484-R549 HydrophobicContact CD1-CB 4.43Å; F484-R549 HydrophobicContact CD1-CG 4.25Å; F484-R549 HydrophobicContact CE1-CG 4.34Å; F484-L560 HydrophobicContact CE2-CD1 3.93Å; F484-L560 HydrophobicContact CZ-CD1 3.63Å; F484-L563 HydrophobicContact CZ-CD1 4.4Å
485	V	83.8	Confident	75.7	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-38	-179.3	177.3	0	0	0	0	111	G481 F482 Q489 L492 I534 V537 L538 A545 F548	G481-V485 WeakPolarHBondContact O-CG2 3.11Å; G481-V485 PolarHBondContact O-N 3.39Å; F482-V485 PolarHBondContact O-N 3.3Å; V485-Q489 WeakPolarHBondContact O-CA 3.44Å; V485-Q489 PolarHBondContact O-N 3.36Å; V485-L492 HydrophobicContact CG1-CD1 4.44Å; V485-I534 HydrophobicContact CG1-CG2 3.73Å; V485-V537 HydrophobicContact CG1-CG1 4.33Å; V485-L538 HydrophobicContact CB-CD2 3.99Å; V485-L538 HydrophobicContact CG1-CD1 4.44Å; V485-L538 HydrophobicContact CG1-CD2 3.83Å; V485-L538 HydrophobicContact CG1-CG 3.94Å; V485-A545 HydrophobicContact CB-CB 4.37Å; V485-A545 HydrophobicContact CG2-CB 3.97Å; V485-F548 HydrophobicContact CG1-CD1 4.29Å; V485-F548 HydrophobicContact CG1-CE1 4.2Å; V485-F548 HydrophobicContact CG2-CD1 3.67Å; V485-F548 HydrophobicContact CG2-CE1 4.15Å
486	K	83.1	Confident	76.7	Confident	126 Å²	126	54.1 Å²	54.1	55%	0.548	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-45.4	176.1	-173.7	176.1	179.3	-179.8	0	112.4	F482 F484 H488 L538	F482-K486 HydrophobicContact CE1-CD 3.97Å; F482-K486 HydrophobicContact CZ-CD 4.28Å; F482-K486 WeakPolarHBondContact O-CB 3.32Å; F482-K486 PolarHBondContact O-N 2.93Å; F484-K486 VanDerWaalsContact C-N 3.26Å; F484-K486 PolarHBondContact O-N 3.43Å; K486-H488 VanDerWaalsContact C-N 3.3Å; K486-H488 PolarHBondContact O-N 2.99Å; K486-L538 HydrophobicContact CB-CD2 3.95Å
487	R	81.8	Confident	77.4	Confident	155 Å²	155	62.7 Å²	62.7	59%	0.585	32%	0.318	S	S	*	.	H	α-helix	trans	-61.6	-38	177.5	-178.7	-176.9	-66.3	142.8	-0.6	112	T483 F484	T483-R487 WeakPolarHBondContact O-CB 3.44Å; T483-R487 PolarHBondContact O-N 2.71Å; F484-R487 PolarHBondContact O-N 2.91Å
488	H	81.6	Confident	78.3	Confident	15 Å²	15	60.8 Å²	60.8	7%	0.069	32%	0.315	C	S	.	.	H	α-helix	trans	-100.5	5.3	-173.6	-66.4	-70.6	0	0	0	114.2	F484 K486 A490 A491 L492 L563	F484-H488 AromaticContact CD2-CD2 3.58Å; F484-H488 AromaticContact CE2-CD2 3.63Å; F484-H488 AromaticContact CE2-NE2 4Å; F484-H488 PolarHBondContact O-CD2 3.04Å; F484-H488 VanDerWaalsContact O-CD2 3.23Å; F484-H488 PolarHBondContact O-N 3.12Å; K486-H488 VanDerWaalsContact C-N 3.3Å; K486-H488 PolarHBondContact O-N 2.99Å; H488-A490 PolarHBondContact O-N 2.99Å; H488-A491 PolarHBondContact O-N 2.93Å; H488-A491 VanDerWaalsContact O-N 3.11Å; H488-L492 HydrophobicContact CB-CD1 3.85Å; H488-L492 HydrophobicContact CB-CG 4.14Å; H488-L492 WeakPolarHBondContact O-CB 3.29Å; H488-L492 WeakPolarHBondContact O-CG 3.31Å; H488-L492 PolarHBondContact O-N 3.5Å; H488-L563 HydrophobicContact CB-CD2 4.21Å; H488-L563 PolarHBondContact CE1-O 3.33Å; H488-L563 PolarHBondContact ND1-O 3.12Å
489	Q	83.3	Confident	79.4	Confident	79 Å²	79	56.8 Å²	56.8	37%	0.369	28%	0.281	S	S	.	.	H	α-helix	trans	-48.6	-49.1	-172.2	175.9	171.3	13.2	0	0	114	V485 A493 I534	V485-Q489 WeakPolarHBondContact O-CA 3.44Å; V485-Q489 PolarHBondContact O-N 3.36Å; Q489-A493 VanDerWaalsContact O-CB 3.3Å; Q489-A493 WeakPolarHBondContact O-CB 3.23Å; Q489-A493 PolarHBondContact O-N 2.79Å; Q489-I534 HydrophobicContact CB-CG2 4.21Å; Q489-I534 HydrophobicContact CG-CG2 3.79Å
490	A	79.1	Confident	80.2	Confident	70 Å²	70	61.7 Å²	61.7	58%	0.579	30%	0.302	S	S	*	.	H	α-helix	trans	-66.7	-41.6	-177.7	0	0	0	0	0	112.7	H488 A493 Q494	H488-A490 PolarHBondContact O-N 2.99Å; A490-A493 PolarHBondContact O-N 2.84Å; A490-Q494 WeakPolarHBondContact O-CG 3.39Å; A490-Q494 PolarHBondContact O-N 2.87Å
491	A	82.9	Confident	80.6	Confident	15 Å²	15	61.6 Å²	61.6	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-73.3	-38.5	179.5	0	0	0	0	0	111.9	H488 A493 Q494 R495 L563	H488-A491 PolarHBondContact O-N 2.93Å; H488-A491 VanDerWaalsContact O-N 3.11Å; A491-A493 PolarHBondContact O-N 2.83Å; A491-Q494 PolarHBondContact O-N 3.18Å; A491-R495 VanDerWaalsContact O-CB 3.3Å; A491-R495 WeakPolarHBondContact O-CB 3.44Å; A491-R495 WeakPolarHBondContact O-CG 3.36Å; A491-R495 PolarHBondContact O-N 2.94Å; A491-L563 HydrophobicContact CB-CD2 3.38Å
492	L	83.9	Confident	81	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-47.7	170.1	-75.7	163.2	0	0	0	111	V485 H488 Q494 R495 L496 I534 F548 I552 L559 L563	V485-L492 HydrophobicContact CG1-CD1 4.44Å; H488-L492 HydrophobicContact CB-CD1 3.85Å; H488-L492 HydrophobicContact CB-CG 4.14Å; H488-L492 WeakPolarHBondContact O-CB 3.29Å; H488-L492 WeakPolarHBondContact O-CG 3.31Å; H488-L492 PolarHBondContact O-N 3.5Å; L492-Q494 PolarHBondContact O-N 3.38Å; L492-R495 PolarHBondContact O-N 2.65Å; L492-L496 WeakPolarHBondContact O-CB 3.24Å; L492-L496 PolarHBondContact O-N 3.3Å; L492-L496 VanDerWaalsContact O-N 3.07Å; L492-I534 HydrophobicContact CB-CD1 3.51Å; L492-I534 HydrophobicContact CB-CG1 4.39Å; L492-F548 HydrophobicContact CD1-CE1 4.15Å; L492-F548 HydrophobicContact CD2-CE1 4.32Å; L492-I552 HydrophobicContact CD2-CD1 3.61Å; L492-L559 HydrophobicContact CD2-CD2 4.45Å; L492-L563 HydrophobicContact CD2-CD1 3.52Å; L492-L563 HydrophobicContact CG-CD1 3.92Å; L492-L563 HydrophobicContact CG-CD2 4.29Å
493	A	82.3	Confident	81.1	Confident	18 Å²	18	58.4 Å²	58.4	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-26	178.8	0	0	0	0	0	114.2	Q489 A490 A491 I534	Q489-A493 VanDerWaalsContact O-CB 3.3Å; Q489-A493 WeakPolarHBondContact O-CB 3.23Å; Q489-A493 PolarHBondContact O-N 2.79Å; A490-A493 PolarHBondContact O-N 2.84Å; A491-A493 PolarHBondContact O-N 2.83Å; A493-I534 HydrophobicContact CB-CD1 3.99Å
494	Q	80.6	Confident	81.3	Confident	141 Å²	141	59 Å²	59	66%	0.659	29%	0.29	S	S	*	.	H	α-helix	trans	-92.7	-28.3	177.9	-70.3	175.3	5.9	0	0	113.9	A490 A491 L492	A490-Q494 WeakPolarHBondContact O-CG 3.39Å; A490-Q494 PolarHBondContact O-N 2.87Å; A491-Q494 PolarHBondContact O-N 3.18Å; L492-Q494 PolarHBondContact O-N 3.38Å
495	R	79.1	Confident	81.4	Confident	95 Å²	95	61.2 Å²	61.2	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-118	-11.9	-163.8	-55.6	-163.8	70.8	-163	-10.7	115.7	A491 L492 K497 L559 D562	A491-R495 VanDerWaalsContact O-CB 3.3Å; A491-R495 WeakPolarHBondContact O-CB 3.44Å; A491-R495 WeakPolarHBondContact O-CG 3.36Å; A491-R495 PolarHBondContact O-N 2.94Å; L492-R495 PolarHBondContact O-N 2.65Å; R495-K497 PolarHBondContact O-N 3.12Å; R495-K497 VanDerWaalsContact O-N 3.13Å; R495-L559 HydrophobicContact CB-CD1 3.68Å; R495-D562 IonicContact CZ-OD2 3.1Å; R495-D562 IonicContact NH1-OD2 2.69Å; R495-D562 PolarHBondContact NH1-OD2 3.44Å; R495-D562 IonicContact NH2-OD2 3.76Å; R495-D562 PolarHBondContact NH2-OD2 3.34Å
496	L	81	Confident	81.5	Confident	13 Å²	13	61.2 Å²	61.2	7%	0.068	30%	0.301	C	S	.	.			trans	-69.4	105.5	169.4	-170.7	78.8	0	0	0	109.8	L492 V502 T530 W551 L559	L492-L496 WeakPolarHBondContact O-CB 3.24Å; L492-L496 PolarHBondContact O-N 3.3Å; L492-L496 VanDerWaalsContact O-N 3.07Å; L496-V502 HydrophobicContact CD1-CG2 4.44Å; L496-V502 HydrophobicContact CD2-CG2 4.16Å; L496-T530 HydrophobicContact CB-CG2 3.82Å; L496-T530 HydrophobicContact CD2-CG2 3.84Å; L496-T530 HydrophobicContact CG-CG2 4.46Å; L496-W551 HydrophobicContact CD1-CZ3 4.13Å; L496-L559 HydrophobicContact CB-CD2 4.38Å; L496-L559 HydrophobicContact CD1-CD2 3.71Å
497	K	70.7	Confident	81.6	Confident	191 Å²	191	60 Å²	60	83%	0.83	29%	0.292	S	S	*	.			trans	-75.5	-22.6	-170.7	-63.5	178.4	-175.2	169.3	0	114.9	R495	R495-K497 PolarHBondContact O-N 3.12Å; R495-K497 VanDerWaalsContact O-N 3.13Å
498	S	75	Confident	81.9	Confident	60 Å²	60	58 Å²	58	42%	0.42	29%	0.29	S	S	.	.			trans	-144.5	132.7	177.1	-173.8	0	0	0	0	110	P501	S498-P501 VanDerWaalsContact OG-CD 3.28Å; S498-P501 WeakPolarHBondContact OG-CD 3.42Å
499	V	79.4	Confident	82.1	Confident	3 Å²	3	62 Å²	62	2%	0.018	31%	0.309	C	S	.	.	S	Bend	trans	-99.9	-31.5	-174.1	-156.6	0	0	0	0	111	V502 L503 Q529 T530 L533	V499-V502 WeakPolarHBondContact O-CA 3.41Å; V499-V502 WeakPolarHBondContact O-CB 3.16Å; V499-V502 PolarHBondContact O-N 2.74Å; V499-L503 HydrophobicContact CB-CD1 4.33Å; V499-L503 HydrophobicContact CG1-CD1 4.03Å; V499-L503 HydrophobicContact CG1-CG 4.06Å; V499-L503 WeakPolarHBondContact O-CG 3.47Å; V499-L503 PolarHBondContact O-N 3.05Å; V499-Q529 HydrophobicContact CB-CB 4.39Å; V499-Q529 HydrophobicContact CG1-CB 4.31Å; V499-Q529 HydrophobicContact CG2-CB 4.02Å; V499-T530 WeakPolarHBondContact CG2-OG1 3.49Å; V499-L533 HydrophobicContact CG1-CB 4.31Å; V499-L533 HydrophobicContact CG1-CD2 3.57Å
500	E	80.4	Confident	82.1	Confident	126 Å²	126	65.3 Å²	65.3	59%	0.589	33%	0.329	S	S	*	.	H	α-helix	trans	-57.6	-44.7	-173.6	-175.2	174.3	-141.2	0	0	114.1	V502 L503 E504	E500-V502 PolarHBondContact O-N 2.77Å; E500-L503 PolarHBondContact O-N 3.35Å; E500-E504 PolarHBondContact O-N 2.65Å
501	P	83.3	Confident	82.3	Confident	64 Å²	64	63.1 Å²	63.1	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-67.6	-21	175.7	-19.9	34.2	0	0	0	113.9	S498 H505 W551	S498-P501 VanDerWaalsContact OG-CD 3.28Å; S498-P501 WeakPolarHBondContact OG-CD 3.42Å; P501-H505 PolarHBondContact O-N 3.23Å; P501-W551 HydrophobicContact CB-CZ2 3.95Å; P501-W551 PolarHBondContact O-NE1 3.31Å
502	V	85.1	Confident	82.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-84.4	-40.6	177.1	-156.4	0	0	0	0	110.5	L496 V499 E500 H505 L506 L533 F548 W551	L496-V502 HydrophobicContact CD1-CG2 4.44Å; L496-V502 HydrophobicContact CD2-CG2 4.16Å; V499-V502 WeakPolarHBondContact O-CA 3.41Å; V499-V502 WeakPolarHBondContact O-CB 3.16Å; V499-V502 PolarHBondContact O-N 2.74Å; E500-V502 PolarHBondContact O-N 2.77Å; V502-H505 PolarHBondContact O-N 3.41Å; V502-L506 HydrophobicContact CG1-CD1 4.1Å; V502-L506 HydrophobicContact CG1-CG 4.5Å; V502-L506 WeakPolarHBondContact O-CB 3.5Å; V502-L506 VanDerWaalsContact O-CG 3.28Å; V502-L506 WeakPolarHBondContact O-CG 3.4Å; V502-L506 PolarHBondContact O-N 2.88Å; V502-L533 HydrophobicContact CB-CD2 4.18Å; V502-L533 HydrophobicContact CG1-CD2 4.25Å; V502-F548 HydrophobicContact CG1-CD2 3.64Å; V502-F548 HydrophobicContact CG1-CE2 3.79Å; V502-W551 HydrophobicContact CB-CD2 4.27Å; V502-W551 HydrophobicContact CB-CE3 4.36Å; V502-W551 HydrophobicContact CG1-CD2 3.87Å; V502-W551 HydrophobicContact CG1-CE3 3.9Å; V502-W551 HydrophobicContact CG1-CG 4.17Å; V502-W551 HydrophobicContact CG2-CD2 3.94Å; V502-W551 HydrophobicContact CG2-CE3 3.69Å; V502-W551 HydrophobicContact CG2-CH2 3.63Å; V502-W551 HydrophobicContact CG2-CZ2 3.8Å; V502-W551 HydrophobicContact CG2-CZ3 3.55Å
503	L	83.2	Confident	82.4	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-45.6	173.8	-69.4	168.4	0	0	0	111.1	V499 E500 R507 L512 Y517 L520 L521 L533	V499-L503 HydrophobicContact CB-CD1 4.33Å; V499-L503 HydrophobicContact CG1-CD1 4.03Å; V499-L503 HydrophobicContact CG1-CG 4.06Å; V499-L503 WeakPolarHBondContact O-CG 3.47Å; V499-L503 PolarHBondContact O-N 3.05Å; E500-L503 PolarHBondContact O-N 3.35Å; L503-R507 WeakPolarHBondContact O-CB 3.32Å; L503-R507 PolarHBondContact O-N 3.01Å; L503-L512 HydrophobicContact CD2-CD1 3.9Å; L503-Y517 HydrophobicContact CB-CD2 4.14Å; L503-Y517 HydrophobicContact CB-CE2 3.78Å; L503-L520 HydrophobicContact CD2-CB 3.87Å; L503-L520 HydrophobicContact CD2-CD1 3.53Å; L503-L520 HydrophobicContact CD2-CG 4.26Å; L503-L521 HydrophobicContact CD1-CD2 4.06Å; L503-L533 HydrophobicContact CD2-CD1 3.88Å; L503-L533 HydrophobicContact CD2-CD2 4.14Å; L503-L533 HydrophobicContact CD2-CG 4.46Å; L503-L533 HydrophobicContact CG-CD2 4.42Å
504	E	84.3	Confident	82.3	Confident	62 Å²	62	68.1 Å²	68.1	29%	0.29	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-51.2	176.2	-173.7	59.9	-103.8	0	0	110.7	E500 L506 R507 E508	E500-E504 PolarHBondContact O-N 2.65Å; E504-L506 PolarHBondContact O-N 3.4Å; E504-R507 CarbonylContact O-C 3.52Å; E504-R507 WeakPolarHBondContact O-CA 3.29Å; E504-R507 VanDerWaalsContact O-CB 3.3Å; E504-R507 WeakPolarHBondContact O-CB 3.42Å; E504-R507 PolarHBondContact O-N 2.7Å; E504-R507 IonicContact OE1-CZ 3.12Å; E504-R507 IonicContact OE1-NE 2.65Å; E504-R507 PolarHBondContact OE1-NE 3.21Å; E504-R507 IonicContact OE1-NH2 2.76Å; E504-R507 PolarHBondContact OE1-NH2 2.99Å; E504-R507 IonicContact OE2-CZ 3.25Å; E504-R507 VanDerWaalsContact OE2-CZ 3.3Å; E504-R507 IonicContact OE2-NE 3.08Å; E504-R507 IonicContact OE2-NH1 3.3Å; E504-R507 IonicContact OE2-NH2 2.67Å; E504-R507 PolarHBondContact OE2-NH2 3.23Å; E504-E508 WeakPolarHBondContact O-CG 3.42Å; E504-E508 PolarHBondContact O-N 2.96Å
505	H	86	Confident	82.4	Confident	52 Å²	52	69.4 Å²	69.4	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-38.4	-178.9	-169	59.4	0	0	0	113.6	P501 V502 R507 E508 Q509 W551	P501-H505 PolarHBondContact O-N 3.23Å; V502-H505 PolarHBondContact O-N 3.41Å; H505-R507 PolarHBondContact O-N 3.32Å; H505-E508 IonicContact CE1-OE2 2.73Å; H505-E508 IonicContact CG-OE2 2.78Å; H505-E508 IonicContact ND1-OE2 3.96Å; H505-E508 PolarHBondContact ND1-OE2 2.89Å; H505-E508 WeakPolarHBondContact O-CB 3.09Å; H505-E508 PolarHBondContact O-N 3.4Å; H505-Q509 WeakPolarHBondContact O-CG 3.28Å; H505-Q509 PolarHBondContact O-N 2.79Å; H505-W551 AromaticContact CD2-CD1 3.52Å; H505-W551 AromaticContact CG-CD1 3.62Å
506	L	85.3	Confident	82.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-68.6	-24.4	174.5	-71.2	169.4	0	0	0	112.6	V502 E504 N510 V511 L512 L533 V537 V547 F548	V502-L506 HydrophobicContact CG1-CD1 4.1Å; V502-L506 HydrophobicContact CG1-CG 4.5Å; V502-L506 WeakPolarHBondContact O-CB 3.5Å; V502-L506 VanDerWaalsContact O-CG 3.28Å; V502-L506 WeakPolarHBondContact O-CG 3.4Å; V502-L506 PolarHBondContact O-N 2.88Å; E504-L506 PolarHBondContact O-N 3.4Å; L506-N510 PolarHBondContact O-N 3.47Å; L506-V511 HydrophobicContact CB-CB 4.28Å; L506-V511 HydrophobicContact CD2-CB 3.98Å; L506-V511 HydrophobicContact CD2-CG1 3.99Å; L506-V511 HydrophobicContact CD2-CG2 4.11Å; L506-V511 WeakPolarHBondContact O-CA 3.25Å; L506-V511 WeakPolarHBondContact O-CB 3.26Å; L506-V511 PolarHBondContact O-N 3.08Å; L506-L512 HydrophobicContact CB-CD1 3.7Å; L506-L512 HydrophobicContact CB-CG 3.8Å; L506-L512 HydrophobicContact CD1-CD1 4.44Å; L506-L512 PolarHBondContact O-N 3.27Å; L506-L533 HydrophobicContact CD1-CD1 3.74Å; L506-L533 HydrophobicContact CD1-CD2 4.43Å; L506-V537 HydrophobicContact CD1-CG2 3.98Å; L506-V547 HydrophobicContact CD2-CB 4.12Å; L506-V547 HydrophobicContact CD2-CG1 3.7Å; L506-F548 HydrophobicContact CD1-CD2 4.09Å; L506-F548 HydrophobicContact CD2-CB 4.3Å
507	R	86	Confident	82.7	Confident	99 Å²	99	67.2 Å²	67.2	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-74.2	-45.9	169.2	-172.5	-179.1	71.4	176	10.9	111.4	L503 E504 H505 Q509 N510 Y517	L503-R507 WeakPolarHBondContact O-CB 3.32Å; L503-R507 PolarHBondContact O-N 3.01Å; E504-R507 CarbonylContact O-C 3.52Å; E504-R507 WeakPolarHBondContact O-CA 3.29Å; E504-R507 VanDerWaalsContact O-CB 3.3Å; E504-R507 WeakPolarHBondContact O-CB 3.42Å; E504-R507 PolarHBondContact O-N 2.7Å; E504-R507 IonicContact OE1-CZ 3.12Å; E504-R507 IonicContact OE1-NE 2.65Å; E504-R507 PolarHBondContact OE1-NE 3.21Å; E504-R507 IonicContact OE1-NH2 2.76Å; E504-R507 PolarHBondContact OE1-NH2 2.99Å; E504-R507 IonicContact OE2-CZ 3.25Å; E504-R507 VanDerWaalsContact OE2-CZ 3.3Å; E504-R507 IonicContact OE2-NE 3.08Å; E504-R507 IonicContact OE2-NH1 3.3Å; E504-R507 IonicContact OE2-NH2 2.67Å; E504-R507 PolarHBondContact OE2-NH2 3.23Å; H505-R507 PolarHBondContact O-N 3.32Å; R507-Q509 VanDerWaalsContact C-N 3.26Å; R507-Q509 PolarHBondContact O-N 2.9Å; R507-N510 PolarHBondContact O-N 3.16Å; R507-Y517 HydrophobicContact CB-CD2 4.07Å; R507-Y517 HydrophobicContact CB-CE2 4.37Å; R507-Y517 HydrophobicContact CG-CD2 4.38Å; R507-Y517 VanDerWaalsContact NH1-CE1 3.26Å
508	E	86.6	Confident	83.1	Confident	114 Å²	114	61.4 Å²	61.4	53%	0.533	33%	0.328	S	S	.	.	H	α-helix	trans	-54.8	-41.5	174	-67.2	177.3	147.4	0	0	112.1	E504 H505 N510	E504-E508 WeakPolarHBondContact O-CG 3.42Å; E504-E508 PolarHBondContact O-N 2.96Å; H505-E508 IonicContact CE1-OE2 2.73Å; H505-E508 IonicContact CG-OE2 2.78Å; H505-E508 IonicContact ND1-OE2 3.96Å; H505-E508 PolarHBondContact ND1-OE2 2.89Å; H505-E508 WeakPolarHBondContact O-CB 3.09Å; H505-E508 PolarHBondContact O-N 3.4Å; E508-N510 PolarHBondContact O-N 2.81Å; E508-N510 PolarHBondContact O-ND2 2.73Å
509	Q	85.9	Confident	83.4	Confident	100 Å²	100	60.2 Å²	60.2	47%	0.467	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	9.8	177.8	-59	-52.7	-66.8	0	0	113.7	H505 R507 V511 V547	H505-Q509 WeakPolarHBondContact O-CG 3.28Å; H505-Q509 PolarHBondContact O-N 2.79Å; R507-Q509 VanDerWaalsContact C-N 3.26Å; R507-Q509 PolarHBondContact O-N 2.9Å; Q509-V511 HydrophobicContact CB-CG2 4.21Å; Q509-V511 PolarHBondContact O-N 3.47Å; Q509-V547 HydrophobicContact CB-CG1 3.88Å; Q509-V547 HydrophobicContact CG-CG1 3.81Å
510	N	83.1	Confident	83.5	Confident	148 Å²	148	60.5 Å²	60.5	79%	0.791	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	25.4	179.4	-61.3	-92.1	0	0	0	115	L506 R507 E508	L506-N510 PolarHBondContact O-N 3.47Å; R507-N510 PolarHBondContact O-N 3.16Å; E508-N510 PolarHBondContact O-N 2.81Å; E508-N510 PolarHBondContact O-ND2 2.73Å
511	V	84.5	Confident	83.5	Confident	24 Å²	24	58 Å²	58	15%	0.145	32%	0.317	C	S	.	.			trans	-81	-33.1	175.9	179.8	0	0	0	0	111.3	L506 Q509 A544 V547	L506-V511 HydrophobicContact CB-CB 4.28Å; L506-V511 HydrophobicContact CD2-CB 3.98Å; L506-V511 HydrophobicContact CD2-CG1 3.99Å; L506-V511 HydrophobicContact CD2-CG2 4.11Å; L506-V511 WeakPolarHBondContact O-CA 3.25Å; L506-V511 WeakPolarHBondContact O-CB 3.26Å; L506-V511 PolarHBondContact O-N 3.08Å; Q509-V511 HydrophobicContact CB-CG2 4.21Å; Q509-V511 PolarHBondContact O-N 3.47Å; V511-A544 HydrophobicContact CG1-CB 3.36Å; V511-V547 HydrophobicContact CG2-CB 4.19Å; V511-V547 HydrophobicContact CG2-CG1 4.25Å; V511-V547 HydrophobicContact CG2-CG2 4.15Å
512	L	85.1	Confident	83.4	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.047	33%	0.327	C	S	.	.	S	Bend	trans	-103.8	135	175.1	-60.5	175.8	0	0	0	110.7	L503 L506 D516 Y517 L520 L533 L536	L503-L512 HydrophobicContact CD2-CD1 3.9Å; L506-L512 HydrophobicContact CB-CD1 3.7Å; L506-L512 HydrophobicContact CB-CG 3.8Å; L506-L512 HydrophobicContact CD1-CD1 4.44Å; L506-L512 PolarHBondContact O-N 3.27Å; L512-D516 HydrophobicContact CB-CB 4.25Å; L512-D516 HydrophobicContact CD2-CB 4.08Å; L512-Y517 HydrophobicContact CD1-CD2 4.47Å; L512-L520 HydrophobicContact CD1-CD1 4.4Å; L512-L520 HydrophobicContact CD2-CD1 4.21Å; L512-L533 HydrophobicContact CD1-CD1 4.49Å; L512-L536 HydrophobicContact CD2-CD2 3.44Å; L512-L536 VanDerWaalsContact CD2-CD2 3.44Å; L512-L536 HydrophobicContact CD2-CG 4.43Å
513	S	84.1	Confident	83.2	Confident	50 Å²	50	61.7 Å²	61.7	35%	0.35	34%	0.342	S	S	.	.			trans	-77	168.4	164.6	71.3	0	0	0	0	111.1	E515 D516 Y517	S513-E515 PolarHBondContact O-N 2.65Å; S513-E515 PolarHBondContact OG-N 2.83Å; S513-D516 VanDerWaalsContact CB-OD2 3.24Å; S513-D516 WeakPolarHBondContact CB-OD2 3.36Å; S513-D516 PolarHBondContact N-OD2 3.29Å; S513-D516 PolarHBondContact O-N 3.49Å; S513-D516 PolarHBondContact OG-N 2.82Å; S513-D516 VanDerWaalsContact OG-N 3.09Å; S513-D516 PolarHBondContact OG-OD2 2.78Å; S513-Y517 WeakPolarHBondContact O-CB 3.29Å; S513-Y517 PolarHBondContact O-N 3.16Å
514	A	79.9	Confident	83	Confident	79 Å²	79	68.2 Å²	68.2	65%	0.653	38%	0.382	S	S	*	.	H	α-helix	trans	-62.6	-29.9	173.7	0	0	0	0	0	112.8	S518	A514-S518 WeakPolarHBondContact O-CB 3.3Å; A514-S518 PolarHBondContact O-N 2.78Å; A514-S518 VanDerWaalsContact O-N 3.08Å; A514-S518 PolarHBondContact O-OG 2.76Å
515	E	81.6	Confident	82.9	Confident	167 Å²	167	67.4 Å²	67.4	78%	0.78	38%	0.383	S	S	*	.	H	α-helix	trans	-72.6	-45	175.5	-64	176.6	-168.7	0	0	111.1	S513 Y517 S518 G519	S513-E515 PolarHBondContact O-N 2.65Å; S513-E515 PolarHBondContact OG-N 2.83Å; E515-Y517 PolarHBondContact O-N 3.49Å; E515-S518 PolarHBondContact O-OG 3.36Å; E515-G519 PolarHBondContact O-N 3.31Å
516	D	83.4	Confident	82.5	Confident	31 Å²	31	67.6 Å²	67.6	17%	0.166	39%	0.394	C	S	.	.	H	α-helix	trans	-57.9	-48.6	172.8	-62.1	-67	0	0	0	111.1	L512 S513 G519 L520 L536 K540	L512-D516 HydrophobicContact CB-CB 4.25Å; L512-D516 HydrophobicContact CD2-CB 4.08Å; S513-D516 VanDerWaalsContact CB-OD2 3.24Å; S513-D516 WeakPolarHBondContact CB-OD2 3.36Å; S513-D516 PolarHBondContact N-OD2 3.29Å; S513-D516 PolarHBondContact O-N 3.49Å; S513-D516 PolarHBondContact OG-N 2.82Å; S513-D516 VanDerWaalsContact OG-N 3.09Å; S513-D516 PolarHBondContact OG-OD2 2.78Å; D516-G519 PolarHBondContact O-N 3.42Å; D516-L520 WeakPolarHBondContact O-CB 3.46Å; D516-L520 WeakPolarHBondContact O-CD1 3.26Å; D516-L520 VanDerWaalsContact O-CG 3.27Å; D516-L520 WeakPolarHBondContact O-CG 3.25Å; D516-L520 PolarHBondContact O-N 2.79Å; D516-L536 HydrophobicContact CB-CD2 3.72Å; D516-L536 WeakPolarHBondContact OD1-CD2 3.44Å; D516-K540 VanDerWaalsContact CG-NZ 3.33Å; D516-K540 IonicContact OD1-NZ 2.7Å; D516-K540 PolarHBondContact OD1-NZ 2.92Å; D516-K540 IonicContact OD2-NZ 3.61Å; D516-K540 PolarHBondContact OD2-NZ 2.75Å
517	Y	83.1	Confident	82.2	Confident	31 Å²	31	73.7 Å²	73.7	12%	0.122	42%	0.422	C	S	.	.	H	α-helix	trans	-63	-44.9	-176.3	-176.4	-90.9	0	0	0	112.1	L503 R507 L512 S513 E515 L520 L521	L503-Y517 HydrophobicContact CB-CD2 4.14Å; L503-Y517 HydrophobicContact CB-CE2 3.78Å; R507-Y517 HydrophobicContact CB-CD2 4.07Å; R507-Y517 HydrophobicContact CB-CE2 4.37Å; R507-Y517 HydrophobicContact CG-CD2 4.38Å; R507-Y517 VanDerWaalsContact NH1-CE1 3.26Å; L512-Y517 HydrophobicContact CD1-CD2 4.47Å; S513-Y517 WeakPolarHBondContact O-CB 3.29Å; S513-Y517 PolarHBondContact O-N 3.16Å; E515-Y517 PolarHBondContact O-N 3.49Å; Y517-L520 PolarHBondContact O-N 3.36Å; Y517-L521 HydrophobicContact CD1-CD1 3.97Å; Y517-L521 HydrophobicContact CE1-CD1 3.36Å; Y517-L521 HydrophobicContact CE1-CG 4.25Å; Y517-L521 PolarHBondContact O-N 2.74Å; Y517-L521 VanDerWaalsContact O-N 3.09Å
518	S	79.7	Confident	82	Confident	69 Å²	69	73.4 Å²	73.4	48%	0.483	43%	0.425	S	S	.	.	H	α-helix	trans	-70.9	-37.6	177.2	53.6	0	0	0	0	112.6	A514 E515 L520 L521 A522	A514-S518 WeakPolarHBondContact O-CB 3.3Å; A514-S518 PolarHBondContact O-N 2.78Å; A514-S518 VanDerWaalsContact O-N 3.08Å; A514-S518 PolarHBondContact O-OG 2.76Å; E515-S518 PolarHBondContact O-OG 3.36Å; S518-L520 VanDerWaalsContact C-N 3.28Å; S518-L520 PolarHBondContact O-N 3.1Å; S518-L521 PolarHBondContact O-N 3.49Å; S518-A522 WeakPolarHBondContact O-CB 3.36Å; S518-A522 PolarHBondContact O-N 2.84Å
519	G	81.4	Confident	81.9	Confident	35 Å²	35	70 Å²	70	36%	0.361	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-30.2	173.8	0	0	0	0	0	113.9	E515 D516 Q523	E515-G519 PolarHBondContact O-N 3.31Å; D516-G519 PolarHBondContact O-N 3.42Å; G519-Q523 PolarHBondContact O-NE2 2.98Å
520	L	81.5	Confident	81.8	Confident	9 Å²	9	65.3 Å²	65.3	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-76.8	-43	174.1	-71.8	164.7	0	0	0	112.2	L503 L512 D516 Y517 S518 A522 Q523 R532 L533 L536	L503-L520 HydrophobicContact CD2-CB 3.87Å; L503-L520 HydrophobicContact CD2-CD1 3.53Å; L503-L520 HydrophobicContact CD2-CG 4.26Å; L512-L520 HydrophobicContact CD1-CD1 4.4Å; L512-L520 HydrophobicContact CD2-CD1 4.21Å; D516-L520 WeakPolarHBondContact O-CB 3.46Å; D516-L520 WeakPolarHBondContact O-CD1 3.26Å; D516-L520 VanDerWaalsContact O-CG 3.27Å; D516-L520 WeakPolarHBondContact O-CG 3.25Å; D516-L520 PolarHBondContact O-N 2.79Å; Y517-L520 PolarHBondContact O-N 3.36Å; S518-L520 VanDerWaalsContact C-N 3.28Å; S518-L520 PolarHBondContact O-N 3.1Å; L520-A522 PolarHBondContact O-N 3.42Å; L520-Q523 WeakPolarHBondContact O-CG 3.4Å; L520-Q523 PolarHBondContact O-N 3.41Å; L520-R532 HydrophobicContact CD2-CB 3.58Å; L520-L533 HydrophobicContact CD1-CD1 4.08Å; L520-L533 HydrophobicContact CD2-CB 4.35Å; L520-L536 HydrophobicContact CD1-CD2 3.87Å
521	L	79.9	Confident	81.9	Confident	73 Å²	73	60.3 Å²	60.3	38%	0.382	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-26.6	174.1	-71.6	180	0	0	0	113.3	L503 Y517 S518 Q523	L503-L521 HydrophobicContact CD1-CD2 4.06Å; Y517-L521 HydrophobicContact CD1-CD1 3.97Å; Y517-L521 HydrophobicContact CE1-CD1 3.36Å; Y517-L521 HydrophobicContact CE1-CG 4.25Å; Y517-L521 PolarHBondContact O-N 2.74Å; Y517-L521 VanDerWaalsContact O-N 3.09Å; S518-L521 PolarHBondContact O-N 3.49Å; L521-Q523 PolarHBondContact O-N 3.05Å
522	A	82	Confident	82	Confident	76 Å²	76	65.1 Å²	65.1	63%	0.628	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-7	178.8	0	0	0	0	0	115.1	S518 L520	S518-A522 WeakPolarHBondContact O-CB 3.36Å; S518-A522 PolarHBondContact O-N 2.84Å; L520-A522 PolarHBondContact O-N 3.42Å
523	Q	80.8	Confident	82.1	Confident	67 Å²	67	64.7 Å²	64.7	31%	0.313	38%	0.38	S	S	.	.			trans	-76.7	138.7	178.8	-51.1	-60.5	-55.6	0	0	111.4	G519 L520 L521 S525 Q528 Q529	G519-Q523 PolarHBondContact O-NE2 2.98Å; L520-Q523 WeakPolarHBondContact O-CG 3.4Å; L520-Q523 PolarHBondContact O-N 3.41Å; L521-Q523 PolarHBondContact O-N 3.05Å; Q523-S525 PolarHBondContact O-N 3.37Å; Q523-Q528 HydrophobicContact CB-CB 4.43Å; Q523-Q529 HydrophobicContact CB-CG 3.7Å; Q523-Q529 HydrophobicContact CG-CG 4.37Å; Q523-Q529 PolarHBondContact O-NE2 3.17Å
524	T	78.1	Confident	82.2	Confident	138 Å²	138	62.3 Å²	62.3	85%	0.847	36%	0.363	S	S	*	.	S	Bend	trans	-79.1	-7.3	-169.8	48.8	0	0	0	0	115.9	Q528	T524-Q528 PolarHBondContact OG1-OE1 3.1Å
525	S	82.3	Confident	82.6	Confident	45 Å²	45	62.1 Å²	62.1	32%	0.315	35%	0.349	S	S	.	.	S	Bend	trans	-143.1	143.9	175.5	71.4	0	0	0	0	112.5	Q523 Q527 Q528 Q529	Q523-S525 PolarHBondContact O-N 3.37Å; S525-Q527 PolarHBondContact O-N 3.49Å; S525-Q528 PolarHBondContact O-N 3.35Å; S525-Q528 WeakPolarHBondContact OG-CB 3.36Å; S525-Q528 VanDerWaalsContact OG-CG 3.3Å; S525-Q528 WeakPolarHBondContact OG-CG 3.42Å; S525-Q528 PolarHBondContact OG-N 3.23Å; S525-Q528 PolarHBondContact OG-OE1 3.32Å; S525-Q529 WeakPolarHBondContact O-CG 3.5Å; S525-Q529 PolarHBondContact O-N 3Å
526	A	78.3	Confident	82.8	Confident	56 Å²	56	55.8 Å²	55.8	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-34.4	-179.5	0	0	0	0	0	112.8	Q528 Q529 T530	A526-Q528 PolarHBondContact O-N 2.95Å; A526-Q529 WeakPolarHBondContact O-CB 3.43Å; A526-Q529 PolarHBondContact O-N 2.99Å; A526-T530 PolarHBondContact O-N 2.87Å; A526-T530 PolarHBondContact O-OG1 3.3Å
527	Q	79.8	Confident	83	Confident	127 Å²	127	54.3 Å²	54.3	59%	0.593	31%	0.312	S	S	*	.	H	α-helix	trans	-68	-35.8	178	-162.4	173.9	13.5	0	0	112.4	S525 A531	S525-Q527 PolarHBondContact O-N 3.49Å; Q527-A531 WeakPolarHBondContact O-CB 3.47Å; Q527-A531 PolarHBondContact O-N 3.33Å
528	Q	81.7	Confident	83.2	Confident	94 Å²	94	53.7 Å²	53.7	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-72.2	-37	172.1	-71.4	164.7	-37.6	0	0	111.8	Q523 T524 S525 A526 A531 R532	Q523-Q528 HydrophobicContact CB-CB 4.43Å; T524-Q528 PolarHBondContact OG1-OE1 3.1Å; S525-Q528 PolarHBondContact O-N 3.35Å; S525-Q528 WeakPolarHBondContact OG-CB 3.36Å; S525-Q528 VanDerWaalsContact OG-CG 3.3Å; S525-Q528 WeakPolarHBondContact OG-CG 3.42Å; S525-Q528 PolarHBondContact OG-N 3.23Å; S525-Q528 PolarHBondContact OG-OE1 3.32Å; A526-Q528 PolarHBondContact O-N 2.95Å; Q528-A531 PolarHBondContact O-N 2.97Å; Q528-R532 WeakPolarHBondContact O-CB 3.28Å; Q528-R532 WeakPolarHBondContact O-CG 3.34Å; Q528-R532 PolarHBondContact O-N 2.95Å
529	Q	84.8	Confident	83.5	Confident	41 Å²	41	56.2 Å²	56.2	19%	0.192	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-50.1	171.7	-66.7	175	-8.7	0	0	110.8	V499 Q523 S525 A526 L533	V499-Q529 HydrophobicContact CB-CB 4.39Å; V499-Q529 HydrophobicContact CG1-CB 4.31Å; V499-Q529 HydrophobicContact CG2-CB 4.02Å; Q523-Q529 HydrophobicContact CB-CG 3.7Å; Q523-Q529 HydrophobicContact CG-CG 4.37Å; Q523-Q529 PolarHBondContact O-NE2 3.17Å; S525-Q529 WeakPolarHBondContact O-CG 3.5Å; S525-Q529 PolarHBondContact O-N 3Å; A526-Q529 WeakPolarHBondContact O-CB 3.43Å; A526-Q529 PolarHBondContact O-N 2.99Å; Q529-L533 VanDerWaalsContact O-CB 3.31Å; Q529-L533 WeakPolarHBondContact O-CB 3.42Å; Q529-L533 PolarHBondContact O-N 3.31Å
530	T	83.9	Confident	83.7	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-47.8	176.9	-53.9	0	0	0	0	111.9	L496 V499 A526 R532 L533 I534	L496-T530 HydrophobicContact CB-CG2 3.82Å; L496-T530 HydrophobicContact CD2-CG2 3.84Å; L496-T530 HydrophobicContact CG-CG2 4.46Å; V499-T530 WeakPolarHBondContact CG2-OG1 3.49Å; A526-T530 PolarHBondContact O-N 2.87Å; A526-T530 PolarHBondContact O-OG1 3.3Å; T530-R532 PolarHBondContact O-N 3.48Å; T530-L533 PolarHBondContact O-N 2.92Å; T530-I534 HydrophobicContact CG2-CD1 3.77Å; T530-I534 HydrophobicContact CG2-CG1 4.47Å; T530-I534 WeakPolarHBondContact O-CD1 3.22Å; T530-I534 VanDerWaalsContact O-CG1 3.31Å; T530-I534 WeakPolarHBondContact O-CG1 3.35Å; T530-I534 PolarHBondContact O-N 3.47Å
531	A	84.9	Confident	83.8	Confident	44 Å²	44	59.6 Å²	59.6	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-45.5	-178.8	0	0	0	0	0	112.3	Q527 Q528 I534 E535	Q527-A531 WeakPolarHBondContact O-CB 3.47Å; Q527-A531 PolarHBondContact O-N 3.33Å; Q528-A531 PolarHBondContact O-N 2.97Å; A531-I534 PolarHBondContact O-N 2.96Å; A531-E535 WeakPolarHBondContact O-CB 3.45Å; A531-E535 PolarHBondContact O-N 3.18Å
532	R	85.6	Confident	84	Confident	125 Å²	125	59.3 Å²	59.3	47%	0.472	33%	0.329	S	S	.	.	H	α-helix	trans	-67.3	-35.7	175.7	-75.6	-56.8	-149.5	173.9	7.1	112.8	L520 Q528 T530 E535 L536	L520-R532 HydrophobicContact CD2-CB 3.58Å; Q528-R532 WeakPolarHBondContact O-CB 3.28Å; Q528-R532 WeakPolarHBondContact O-CG 3.34Å; Q528-R532 PolarHBondContact O-N 2.95Å; T530-R532 PolarHBondContact O-N 3.48Å; R532-E535 WeakPolarHBondContact CD-OE2 3.47Å; R532-E535 IonicContact CZ-OE2 3.48Å; R532-E535 IonicContact NE-OE2 2.7Å; R532-E535 VanDerWaalsContact NH1-CD 3.26Å; R532-E535 IonicContact NH1-OE1 2.64Å; R532-E535 PolarHBondContact NH1-OE1 3.15Å; R532-E535 VanDerWaalsContact NH1-OE1 3.1Å; R532-E535 IonicContact NH1-OE2 3Å; R532-E535 PolarHBondContact NH1-OE2 3.11Å; R532-L536 WeakPolarHBondContact O-CB 3.47Å; R532-L536 PolarHBondContact O-N 3.48Å
533	L	87.8	Confident	84	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.1	-46.9	174.7	176.2	58.4	0	0	0	111.1	V499 V502 L503 L506 L512 L520 Q529 T530 L536 V537 F548	V499-L533 HydrophobicContact CG1-CB 4.31Å; V499-L533 HydrophobicContact CG1-CD2 3.57Å; V502-L533 HydrophobicContact CB-CD2 4.18Å; V502-L533 HydrophobicContact CG1-CD2 4.25Å; L503-L533 HydrophobicContact CD2-CD1 3.88Å; L503-L533 HydrophobicContact CD2-CD2 4.14Å; L503-L533 HydrophobicContact CD2-CG 4.46Å; L503-L533 HydrophobicContact CG-CD2 4.42Å; L506-L533 HydrophobicContact CD1-CD1 3.74Å; L506-L533 HydrophobicContact CD1-CD2 4.43Å; L512-L533 HydrophobicContact CD1-CD1 4.49Å; L520-L533 HydrophobicContact CD1-CD1 4.08Å; L520-L533 HydrophobicContact CD2-CB 4.35Å; Q529-L533 VanDerWaalsContact O-CB 3.31Å; Q529-L533 WeakPolarHBondContact O-CB 3.42Å; Q529-L533 PolarHBondContact O-N 3.31Å; T530-L533 PolarHBondContact O-N 2.92Å; L533-L536 PolarHBondContact O-N 2.88Å; L533-V537 HydrophobicContact CD1-CG2 3.95Å; L533-V537 HydrophobicContact CG-CG2 4.37Å; L533-V537 WeakPolarHBondContact O-CB 3.49Å; L533-V537 VanDerWaalsContact O-CG2 3.29Å; L533-V537 WeakPolarHBondContact O-CG2 3.26Å; L533-V537 PolarHBondContact O-N 3.3Å; L533-F548 HydrophobicContact CD2-CE2 4.06Å; L533-F548 HydrophobicContact CG-CE2 4.37Å
534	I	87	Confident	84.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-42.7	-179.7	-62.1	158.4	0	0	0	111	V485 Q489 L492 A493 T530 A531 L536 V537 L538 F548	V485-I534 HydrophobicContact CG1-CG2 3.73Å; Q489-I534 HydrophobicContact CB-CG2 4.21Å; Q489-I534 HydrophobicContact CG-CG2 3.79Å; L492-I534 HydrophobicContact CB-CD1 3.51Å; L492-I534 HydrophobicContact CB-CG1 4.39Å; A493-I534 HydrophobicContact CB-CD1 3.99Å; T530-I534 HydrophobicContact CG2-CD1 3.77Å; T530-I534 HydrophobicContact CG2-CG1 4.47Å; T530-I534 WeakPolarHBondContact O-CD1 3.22Å; T530-I534 VanDerWaalsContact O-CG1 3.31Å; T530-I534 WeakPolarHBondContact O-CG1 3.35Å; T530-I534 PolarHBondContact O-N 3.47Å; A531-I534 PolarHBondContact O-N 2.96Å; I534-L536 VanDerWaalsContact C-N 3.33Å; I534-L536 PolarHBondContact O-N 2.98Å; I534-V537 PolarHBondContact O-N 3Å; I534-L538 HydrophobicContact CG2-CD1 4.12Å; I534-L538 WeakPolarHBondContact O-CG 3.41Å; I534-L538 PolarHBondContact O-N 2.86Å; I534-F548 HydrophobicContact CG1-CZ 4.03Å
535	E	86.8	Confident	84.7	Confident	74 Å²	74	49.9 Å²	49.9	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-57.2	-46.3	173.8	-175.7	-171.2	178.9	0	0	111.4	A531 R532 L538 N539	A531-E535 WeakPolarHBondContact O-CB 3.45Å; A531-E535 PolarHBondContact O-N 3.18Å; R532-E535 WeakPolarHBondContact CD-OE2 3.47Å; R532-E535 IonicContact CZ-OE2 3.48Å; R532-E535 IonicContact NE-OE2 2.7Å; R532-E535 VanDerWaalsContact NH1-CD 3.26Å; R532-E535 IonicContact NH1-OE1 2.64Å; R532-E535 PolarHBondContact NH1-OE1 3.15Å; R532-E535 VanDerWaalsContact NH1-OE1 3.1Å; R532-E535 IonicContact NH1-OE2 3Å; R532-E535 PolarHBondContact NH1-OE2 3.11Å; E535-L538 PolarHBondContact O-N 3.12Å; E535-N539 WeakPolarHBondContact O-CB 3.43Å; E535-N539 PolarHBondContact O-N 3.24Å; E535-N539 PolarHBondContact O-ND2 3.47Å
536	L	86.6	Confident	84.9	Confident	34 Å²	34	50.1 Å²	50.1	18%	0.178	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-43.6	178.2	-172.4	67.8	0	0	0	112.3	L512 D516 L520 R532 L533 I534 L538 N539 K540	L512-L536 HydrophobicContact CD2-CD2 3.44Å; L512-L536 VanDerWaalsContact CD2-CD2 3.44Å; L512-L536 HydrophobicContact CD2-CG 4.43Å; D516-L536 HydrophobicContact CB-CD2 3.72Å; D516-L536 WeakPolarHBondContact OD1-CD2 3.44Å; L520-L536 HydrophobicContact CD1-CD2 3.87Å; R532-L536 WeakPolarHBondContact O-CB 3.47Å; R532-L536 PolarHBondContact O-N 3.48Å; L533-L536 PolarHBondContact O-N 2.88Å; I534-L536 VanDerWaalsContact C-N 3.33Å; I534-L536 PolarHBondContact O-N 2.98Å; L536-L538 VanDerWaalsContact C-N 3.27Å; L536-L538 PolarHBondContact O-N 2.88Å; L536-N539 CarbonylContact O-C 3.56Å; L536-N539 PolarHBondContact O-N 3.35Å; L536-N539 VanDerWaalsContact O-N 3.12Å; L536-K540 HydrophobicContact CD1-CG 4.37Å; L536-K540 HydrophobicContact CG-CG 4.2Å; L536-K540 WeakPolarHBondContact O-CG 3.28Å; L536-K540 PolarHBondContact O-N 2.94Å
537	V	87.7	Confident	85.3	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-40.1	176.4	164.6	0	0	0	0	111.1	V485 L506 L533 I534 G541 A544 A545 F548	V485-V537 HydrophobicContact CG1-CG1 4.33Å; L506-V537 HydrophobicContact CD1-CG2 3.98Å; L533-V537 HydrophobicContact CD1-CG2 3.95Å; L533-V537 HydrophobicContact CG-CG2 4.37Å; L533-V537 WeakPolarHBondContact O-CB 3.49Å; L533-V537 VanDerWaalsContact O-CG2 3.29Å; L533-V537 WeakPolarHBondContact O-CG2 3.26Å; L533-V537 PolarHBondContact O-N 3.3Å; I534-V537 PolarHBondContact O-N 3Å; V537-G541 PolarHBondContact O-N 2.82Å; V537-A544 HydrophobicContact CG1-CB 4.44Å; V537-A545 HydrophobicContact CG1-CB 4.09Å; V537-F548 HydrophobicContact CG1-CB 3.84Å; V537-F548 HydrophobicContact CG1-CD1 4.25Å; V537-F548 HydrophobicContact CG1-CG 4.08Å; V537-F548 HydrophobicContact CG2-CB 4.3Å; V537-F548 HydrophobicContact CG2-CD2 4.24Å; V537-F548 HydrophobicContact CG2-CG 4.3Å
538	L	86.9	Confident	85.7	Confident	18 Å²	18	43.1 Å²	43.1	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-44	173.3	-70.6	170	0	0	0	111.8	F482 V485 K486 I534 E535 L536 K540 G541	F482-L538 HydrophobicContact CD2-CD2 3.69Å; F482-L538 HydrophobicContact CE2-CB 4.18Å; F482-L538 HydrophobicContact CE2-CD2 3.74Å; F482-L538 WeakPolarHBondContact CE2-O 3.43Å; F482-L538 HydrophobicContact CG-CD2 4.39Å; F482-L538 HydrophobicContact CZ-CD2 4.48Å; V485-L538 HydrophobicContact CB-CD2 3.99Å; V485-L538 HydrophobicContact CG1-CD1 4.44Å; V485-L538 HydrophobicContact CG1-CD2 3.83Å; V485-L538 HydrophobicContact CG1-CG 3.94Å; K486-L538 HydrophobicContact CB-CD2 3.95Å; I534-L538 HydrophobicContact CG2-CD1 4.12Å; I534-L538 WeakPolarHBondContact O-CG 3.41Å; I534-L538 PolarHBondContact O-N 2.86Å; E535-L538 PolarHBondContact O-N 3.12Å; L536-L538 VanDerWaalsContact C-N 3.27Å; L536-L538 PolarHBondContact O-N 2.88Å; L538-K540 VanDerWaalsContact C-N 3.31Å; L538-K540 PolarHBondContact O-N 3.32Å; L538-G541 PolarHBondContact O-N 2.81Å
539	N	86.6	Confident	85.8	Confident	122 Å²	122	39.1 Å²	39.1	65%	0.652	21%	0.214	S	C	*	.	H	α-helix	trans	-66.4	-28.7	178.7	-71.1	-22.8	0	0	0	113.5	E535 L536 G541	E535-N539 WeakPolarHBondContact O-CB 3.43Å; E535-N539 PolarHBondContact O-N 3.24Å; E535-N539 PolarHBondContact O-ND2 3.47Å; L536-N539 CarbonylContact O-C 3.56Å; L536-N539 PolarHBondContact O-N 3.35Å; L536-N539 VanDerWaalsContact O-N 3.12Å; N539-G541 VanDerWaalsContact C-N 3.25Å; N539-G541 PolarHBondContact O-N 3.13Å
540	K	84.9	Confident	85.8	Confident	91 Å²	91	40.6 Å²	40.6	40%	0.396	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.9	173.4	-60.2	-86.6	-174.8	177.9	0	112.8	D516 L536 L538 A544	D516-K540 VanDerWaalsContact CG-NZ 3.33Å; D516-K540 IonicContact OD1-NZ 2.7Å; D516-K540 PolarHBondContact OD1-NZ 2.92Å; D516-K540 IonicContact OD2-NZ 3.61Å; D516-K540 PolarHBondContact OD2-NZ 2.75Å; L536-K540 HydrophobicContact CD1-CG 4.37Å; L536-K540 HydrophobicContact CG-CG 4.2Å; L536-K540 WeakPolarHBondContact O-CG 3.28Å; L536-K540 PolarHBondContact O-N 2.94Å; L538-K540 VanDerWaalsContact C-N 3.31Å; L538-K540 PolarHBondContact O-N 3.32Å; K540-A544 HydrophobicContact CB-CB 3.51Å
541	G	84	Confident	86	Confident	24 Å²	24	41.7 Å²	41.7	25%	0.247	23%	0.226	C	C	.	.			trans	82.8	-173.8	171.4	0	0	0	0	0	115.5	V537 L538 N539 A543 A544 A545	V537-G541 PolarHBondContact O-N 2.82Å; L538-G541 PolarHBondContact O-N 2.81Å; N539-G541 VanDerWaalsContact C-N 3.25Å; N539-G541 PolarHBondContact O-N 3.13Å; G541-A543 VanDerWaalsContact C-N 3.33Å; G541-A543 PolarHBondContact O-N 3.28Å; G541-A544 WeakPolarHBondContact O-CB 3.45Å; G541-A544 PolarHBondContact O-N 3.32Å; G541-A544 VanDerWaalsContact O-N 3.09Å; G541-A545 PolarHBondContact O-N 3.29Å
542	N	82.9	Confident	85.9	Confident	67 Å²	67	39.6 Å²	39.6	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-37.9	-166.1	-168.2	58.1	0	0	0	114.5	G481 F482 A544 A545 E546	G481-N542 WeakPolarHBondContact CA-OD1 3.26Å; G481-N542 PolarHBondContact N-OD1 3.33Å; F482-N542 HydrophobicContact CB-CB 4.19Å; F482-N542 WeakPolarHBondContact CB-OD1 3.43Å; F482-N542 PolarHBondContact N-OD1 3.35Å; N542-A544 VanDerWaalsContact C-N 3.32Å; N542-A544 PolarHBondContact O-N 2.89Å; N542-A545 PolarHBondContact O-N 3.24Å; N542-A545 VanDerWaalsContact O-N 3.15Å; N542-E546 WeakPolarHBondContact O-CG 3.25Å; N542-E546 PolarHBondContact O-N 3.13Å
543	A	82.9	Confident	85.7	Confident	78 Å²	78	36.3 Å²	36.3	65%	0.645	20%	0.199	S	C	*	.	H	α-helix	trans	-60.3	-40.9	178.8	0	0	0	0	0	112.5	G541 V547	G541-A543 VanDerWaalsContact C-N 3.33Å; G541-A543 PolarHBondContact O-N 3.28Å; A543-V547 WeakPolarHBondContact O-CG2 3.32Å; A543-V547 PolarHBondContact O-N 2.96Å
544	A	86	Confident	85.4	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-42.1	174.7	0	0	0	0	0	111.8	V511 V537 K540 G541 N542 V547 F548	V511-A544 HydrophobicContact CG1-CB 3.36Å; V537-A544 HydrophobicContact CG1-CB 4.44Å; K540-A544 HydrophobicContact CB-CB 3.51Å; G541-A544 WeakPolarHBondContact O-CB 3.45Å; G541-A544 PolarHBondContact O-N 3.32Å; G541-A544 VanDerWaalsContact O-N 3.09Å; N542-A544 VanDerWaalsContact C-N 3.32Å; N542-A544 PolarHBondContact O-N 2.89Å; A544-V547 PolarHBondContact O-N 2.68Å; A544-F548 WeakPolarHBondContact O-CB 3.35Å; A544-F548 PolarHBondContact O-N 3.08Å
545	A	87.6	Confident	85.1	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.5	-34.6	179.8	0	0	0	0	0	113.1	G481 F482 V485 V537 G541 N542 R549	G481-A545 VanDerWaalsContact C-CB 3.42Å; F482-A545 HydrophobicContact CB-CB 4.33Å; V485-A545 HydrophobicContact CB-CB 4.37Å; V485-A545 HydrophobicContact CG2-CB 3.97Å; V537-A545 HydrophobicContact CG1-CB 4.09Å; G541-A545 PolarHBondContact O-N 3.29Å; N542-A545 PolarHBondContact O-N 3.24Å; N542-A545 VanDerWaalsContact O-N 3.15Å; A545-R549 VanDerWaalsContact O-CB 3.28Å; A545-R549 WeakPolarHBondContact O-CB 3.15Å; A545-R549 PolarHBondContact O-N 3.13Å
546	E	85.6	Confident	84.6	Confident	51 Å²	51	47.5 Å²	47.5	24%	0.238	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-44	171.7	-67.5	-66.9	-178.3	0	0	111.9	G481 N542 F548 R549 N550	G481-E546 WeakPolarHBondContact CA-OE1 3.41Å; G481-E546 VanDerWaalsContact N-CD 3.33Å; G481-E546 PolarHBondContact N-OE1 2.9Å; N542-E546 WeakPolarHBondContact O-CG 3.25Å; N542-E546 PolarHBondContact O-N 3.13Å; E546-F548 VanDerWaalsContact C-N 3.34Å; E546-F548 PolarHBondContact O-N 3.48Å; E546-R549 VanDerWaalsContact CD-NH1 3.35Å; E546-R549 PolarHBondContact O-N 2.94Å; E546-R549 IonicContact OE1-NH1 2.93Å; E546-R549 PolarHBondContact OE1-NH1 2.76Å; E546-R549 IonicContact OE2-CZ 3.95Å; E546-R549 IonicContact OE2-NE 2.65Å; E546-R549 IonicContact OE2-NH1 3.87Å; E546-R549 PolarHBondContact OE2-NH1 3.06Å; E546-N550 VanDerWaalsContact O-CB 3.31Å; E546-N550 WeakPolarHBondContact O-CB 3.26Å; E546-N550 PolarHBondContact O-N 3.4Å; E546-N550 PolarHBondContact O-ND2 3.3Å; E546-N550 VanDerWaalsContact O-ND2 3.08Å
547	V	87.4	Confident	84.1	Confident	34 Å²	34	49.4 Å²	49.4	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-43.7	176.3	177.1	0	0	0	0	110.9	L506 Q509 V511 A543 A544 N550 W551	L506-V547 HydrophobicContact CD2-CB 4.12Å; L506-V547 HydrophobicContact CD2-CG1 3.7Å; Q509-V547 HydrophobicContact CB-CG1 3.88Å; Q509-V547 HydrophobicContact CG-CG1 3.81Å; V511-V547 HydrophobicContact CG2-CB 4.19Å; V511-V547 HydrophobicContact CG2-CG1 4.25Å; V511-V547 HydrophobicContact CG2-CG2 4.15Å; A543-V547 WeakPolarHBondContact O-CG2 3.32Å; A543-V547 PolarHBondContact O-N 2.96Å; A544-V547 PolarHBondContact O-N 2.68Å; V547-N550 PolarHBondContact O-N 3.34Å; V547-W551 PolarHBondContact O-N 2.97Å
548	F	87.7	Confident	83.6	Confident	1 Å²	1	55.5 Å²	55.5	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-43.4	175.8	178.2	-101.8	0	0	0	112.5	V485 L492 V502 L506 L533 I534 V537 A544 E546 W551 I552	V485-F548 HydrophobicContact CG1-CD1 4.29Å; V485-F548 HydrophobicContact CG1-CE1 4.2Å; V485-F548 HydrophobicContact CG2-CD1 3.67Å; V485-F548 HydrophobicContact CG2-CE1 4.15Å; L492-F548 HydrophobicContact CD1-CE1 4.15Å; L492-F548 HydrophobicContact CD2-CE1 4.32Å; V502-F548 HydrophobicContact CG1-CD2 3.64Å; V502-F548 HydrophobicContact CG1-CE2 3.79Å; L506-F548 HydrophobicContact CD1-CD2 4.09Å; L506-F548 HydrophobicContact CD2-CB 4.3Å; L533-F548 HydrophobicContact CD2-CE2 4.06Å; L533-F548 HydrophobicContact CG-CE2 4.37Å; I534-F548 HydrophobicContact CG1-CZ 4.03Å; V537-F548 HydrophobicContact CG1-CB 3.84Å; V537-F548 HydrophobicContact CG1-CD1 4.25Å; V537-F548 HydrophobicContact CG1-CG 4.08Å; V537-F548 HydrophobicContact CG2-CB 4.3Å; V537-F548 HydrophobicContact CG2-CD2 4.24Å; V537-F548 HydrophobicContact CG2-CG 4.3Å; A544-F548 WeakPolarHBondContact O-CB 3.35Å; A544-F548 PolarHBondContact O-N 3.08Å; E546-F548 VanDerWaalsContact C-N 3.34Å; E546-F548 PolarHBondContact O-N 3.48Å; F548-W551 PolarHBondContact O-N 3.09Å; F548-I552 HydrophobicContact CD1-CD1 3.88Å; F548-I552 HydrophobicContact CE1-CD1 3.52Å; F548-I552 HydrophobicContact CZ-CD1 3.89Å; F548-I552 WeakPolarHBondContact O-CG1 3.22Å; F548-I552 PolarHBondContact O-N 3.36Å; F548-I552 VanDerWaalsContact O-N 3.08Å
549	R	84.9	Confident	83.2	Confident	11 Å²	11	55 Å²	55	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-49.5	173	173.8	-160.2	-84.9	176.4	-19.7	111.6	A476 S479 D480 G481 F484 A545 E546 W551 I552 Q553	A476-R549 PolarHBondContact O-NH2 3.27Å; S479-R549 VanDerWaalsContact O-CZ 3.28Å; S479-R549 PolarHBondContact O-NH1 3.34Å; S479-R549 PolarHBondContact O-NH2 3.4Å; S479-R549 PolarHBondContact OG-NH2 2.91Å; D480-R549 VanDerWaalsContact C-NH2 3.35Å; D480-R549 PolarHBondContact O-NH2 3.09Å; G481-R549 VanDerWaalsContact CA-CZ 3.48Å; F484-R549 HydrophobicContact CD1-CB 4.43Å; F484-R549 HydrophobicContact CD1-CG 4.25Å; F484-R549 HydrophobicContact CE1-CG 4.34Å; A545-R549 VanDerWaalsContact O-CB 3.28Å; A545-R549 WeakPolarHBondContact O-CB 3.15Å; A545-R549 PolarHBondContact O-N 3.13Å; E546-R549 VanDerWaalsContact CD-NH1 3.35Å; E546-R549 PolarHBondContact O-N 2.94Å; E546-R549 IonicContact OE1-NH1 2.93Å; E546-R549 PolarHBondContact OE1-NH1 2.76Å; E546-R549 IonicContact OE2-CZ 3.95Å; E546-R549 IonicContact OE2-NE 2.65Å; E546-R549 IonicContact OE2-NH1 3.87Å; E546-R549 PolarHBondContact OE2-NH1 3.06Å; R549-W551 VanDerWaalsContact C-N 3.26Å; R549-W551 PolarHBondContact O-N 3.07Å; R549-I552 PolarHBondContact O-N 3.19Å; R549-Q553 PolarHBondContact O-N 2.96Å
550	N	84.5	Confident	82.8	Confident	71 Å²	71	49.6 Å²	49.6	38%	0.38	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-33.9	-178.5	-70.1	-29.3	0	0	0	111.4	E546 V547 K554	E546-N550 VanDerWaalsContact O-CB 3.31Å; E546-N550 WeakPolarHBondContact O-CB 3.26Å; E546-N550 PolarHBondContact O-N 3.4Å; E546-N550 PolarHBondContact O-ND2 3.3Å; E546-N550 VanDerWaalsContact O-ND2 3.08Å; V547-N550 PolarHBondContact O-N 3.34Å; N550-K554 WeakPolarHBondContact O-CB 3.41Å; N550-K554 PolarHBondContact O-N 2.87Å; N550-K554 VanDerWaalsContact O-N 3.1Å
551	W	86.8	Confident	82.2	Confident	25 Å²	25	50 Å²	50	10%	0.095	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-47.7	169.6	-175.8	94.5	0	0	0	111.6	L496 P501 V502 H505 V547 F548 R549 Q553 K554 N555	L496-W551 HydrophobicContact CD1-CZ3 4.13Å; P501-W551 HydrophobicContact CB-CZ2 3.95Å; P501-W551 PolarHBondContact O-NE1 3.31Å; V502-W551 HydrophobicContact CB-CD2 4.27Å; V502-W551 HydrophobicContact CB-CE3 4.36Å; V502-W551 HydrophobicContact CG1-CD2 3.87Å; V502-W551 HydrophobicContact CG1-CE3 3.9Å; V502-W551 HydrophobicContact CG1-CG 4.17Å; V502-W551 HydrophobicContact CG2-CD2 3.94Å; V502-W551 HydrophobicContact CG2-CE3 3.69Å; V502-W551 HydrophobicContact CG2-CH2 3.63Å; V502-W551 HydrophobicContact CG2-CZ2 3.8Å; V502-W551 HydrophobicContact CG2-CZ3 3.55Å; H505-W551 AromaticContact CD2-CD1 3.52Å; H505-W551 AromaticContact CG-CD1 3.62Å; V547-W551 PolarHBondContact O-N 2.97Å; F548-W551 PolarHBondContact O-N 3.09Å; R549-W551 VanDerWaalsContact C-N 3.26Å; R549-W551 PolarHBondContact O-N 3.07Å; W551-Q553 PolarHBondContact O-N 3.25Å; W551-K554 PolarHBondContact O-N 2.99Å; W551-N555 VanDerWaalsContact CD1-ND2 3.35Å; W551-N555 HydrophobicContact CD2-CB 4.22Å; W551-N555 HydrophobicContact CE3-CB 4.4Å; W551-N555 HydrophobicContact CH2-CB 3.7Å; W551-N555 HydrophobicContact CZ2-CB 3.51Å; W551-N555 HydrophobicContact CZ3-CB 4.17Å; W551-N555 PolarHBondContact NE1-ND2 2.85Å; W551-N555 WeakPolarHBondContact O-CB 3.07Å; W551-N555 PolarHBondContact O-N 3.01Å; W551-N555 PolarHBondContact O-ND2 2.74Å
552	I	84.6	Confident	81.7	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-47.2	178.4	-65.8	165.5	0	0	0	110.4	L492 F548 R549 K554 N555 D556 L559 L560	L492-I552 HydrophobicContact CD2-CD1 3.61Å; F548-I552 HydrophobicContact CD1-CD1 3.88Å; F548-I552 HydrophobicContact CE1-CD1 3.52Å; F548-I552 HydrophobicContact CZ-CD1 3.89Å; F548-I552 WeakPolarHBondContact O-CG1 3.22Å; F548-I552 PolarHBondContact O-N 3.36Å; F548-I552 VanDerWaalsContact O-N 3.08Å; R549-I552 PolarHBondContact O-N 3.19Å; I552-K554 PolarHBondContact O-N 3.25Å; I552-N555 PolarHBondContact O-N 3.28Å; I552-D556 CarbonylContact O-C 3.58Å; I552-D556 VanDerWaalsContact O-C 3.31Å; I552-D556 PolarHBondContact O-N 2.92Å; I552-L559 HydrophobicContact CG2-CD2 4.44Å; I552-L560 HydrophobicContact CG2-CB 4.29Å
553	Q	79.6	Confident	81.3	Confident	56 Å²	56	48.2 Å²	48.2	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-57.3	-37.3	178.2	-174.9	-177.8	14	0	0	112.6	R549 W551 V557 L560	R549-Q553 PolarHBondContact O-N 2.96Å; W551-Q553 PolarHBondContact O-N 3.25Å; Q553-V557 WeakPolarHBondContact O-CG2 3.33Å; Q553-L560 HydrophobicContact CB-CD2 4.13Å; Q553-L560 HydrophobicContact CG-CD2 4.1Å
554	K	81.4	Confident	80.7	Confident	176 Å²	176	45.4 Å²	45.4	77%	0.765	22%	0.22	S	C	*	.	H	α-helix	trans	-82.9	-30.4	-177.7	-172.7	176.9	178	-174.1	0	113.9	N550 W551 I552	N550-K554 WeakPolarHBondContact O-CB 3.41Å; N550-K554 PolarHBondContact O-N 2.87Å; N550-K554 VanDerWaalsContact O-N 3.1Å; W551-K554 PolarHBondContact O-N 2.99Å; I552-K554 PolarHBondContact O-N 3.25Å
555	N	80.7	Confident	79.6	Confident	91 Å²	91	48.2 Å²	48.2	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-113.7	-25.7	-169.1	-61.6	-85	0	0	0	114.4	W551 I552	W551-N555 VanDerWaalsContact CD1-ND2 3.35Å; W551-N555 HydrophobicContact CD2-CB 4.22Å; W551-N555 HydrophobicContact CE3-CB 4.4Å; W551-N555 HydrophobicContact CH2-CB 3.7Å; W551-N555 HydrophobicContact CZ2-CB 3.51Å; W551-N555 HydrophobicContact CZ3-CB 4.17Å; W551-N555 PolarHBondContact NE1-ND2 2.85Å; W551-N555 WeakPolarHBondContact O-CB 3.07Å; W551-N555 PolarHBondContact O-N 3.01Å; W551-N555 PolarHBondContact O-ND2 2.74Å; I552-N555 PolarHBondContact O-N 3.28Å
556	D	78.1	Confident	78.2	Confident	41 Å²	41	51.9 Å²	51.9	22%	0.219	26%	0.261	C	S	.	.			trans	-141.3	72	179.2	-160.2	-17.2	0	0	0	112.1	I552 H558 L559 L560	I552-D556 CarbonylContact O-C 3.58Å; I552-D556 VanDerWaalsContact O-C 3.31Å; I552-D556 PolarHBondContact O-N 2.92Å; D556-H558 PolarHBondContact O-N 2.89Å; D556-H558 PolarHBondContact OD1-N 3.07Å; D556-L559 HydrophobicContact CB-CB 3.93Å; D556-L559 PolarHBondContact O-N 3.26Å; D556-L559 WeakPolarHBondContact OD1-CB 3.35Å; D556-L559 PolarHBondContact OD1-N 3.34Å; D556-L559 WeakPolarHBondContact OD2-CB 3.4Å; D556-L560 PolarHBondContact O-N 2.97Å
557	V	75.5	Confident	76.6	Confident	75 Å²	75	51.2 Å²	51.2	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-27.9	174	-178.1	0	0	0	0	111.8	Q553 L560 R561	Q553-V557 WeakPolarHBondContact O-CG2 3.33Å; V557-L560 PolarHBondContact O-N 3.36Å; V557-R561 WeakPolarHBondContact O-CB 3.42Å; V557-R561 PolarHBondContact O-N 2.92Å
558	H	76.4	Confident	74.5	Confident	128 Å²	128	52.1 Å²	52.1	59%	0.593	27%	0.265	S	S	*	.	H	α-helix	trans	-71.8	-45.6	177.1	-76.4	-88.9	0	0	0	111.6	D556 L560 R561 D562	D556-H558 PolarHBondContact O-N 2.89Å; D556-H558 PolarHBondContact OD1-N 3.07Å; H558-L560 VanDerWaalsContact C-N 3.3Å; H558-L560 PolarHBondContact O-N 3.23Å; H558-R561 PolarHBondContact O-N 3.46Å; H558-D562 WeakPolarHBondContact O-CB 3.31Å; H558-D562 PolarHBondContact O-N 3.25Å
559	L	79.7	Confident	72.2	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-43.5	171	178.4	61.3	0	0	0	110.9	L492 R495 L496 I552 D556 D562 L563	L492-L559 HydrophobicContact CD2-CD2 4.45Å; R495-L559 HydrophobicContact CB-CD1 3.68Å; L496-L559 HydrophobicContact CB-CD2 4.38Å; L496-L559 HydrophobicContact CD1-CD2 3.71Å; I552-L559 HydrophobicContact CG2-CD2 4.44Å; D556-L559 HydrophobicContact CB-CB 3.93Å; D556-L559 PolarHBondContact O-N 3.26Å; D556-L559 WeakPolarHBondContact OD1-CB 3.35Å; D556-L559 PolarHBondContact OD1-N 3.34Å; D556-L559 WeakPolarHBondContact OD2-CB 3.4Å; L559-D562 PolarHBondContact O-N 2.94Å; L559-L563 HydrophobicContact CD1-CD1 4.14Å; L559-L563 HydrophobicContact CD1-CD2 4.35Å; L559-L563 HydrophobicContact CD1-CG 4.03Å; L559-L563 HydrophobicContact CG-CD1 3.97Å; L559-L563 HydrophobicContact CG-CG 4.31Å; L559-L563 WeakPolarHBondContact O-CB 3.44Å; L559-L563 WeakPolarHBondContact O-CG 3.38Å; L559-L563 PolarHBondContact O-N 3.45Å
560	L	77.1	Confident	69.9	Low	10 Å²	10	63.2 Å²	63.2	5%	0.052	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-49.3	176.7	-177.5	56.2	0	0	0	112.3	L473 F484 I552 Q553 D556 V557 H558 D562 L563 M564	L473-L560 HydrophobicContact CD2-CD2 3.59Å; F484-L560 HydrophobicContact CE2-CD1 3.93Å; F484-L560 HydrophobicContact CZ-CD1 3.63Å; I552-L560 HydrophobicContact CG2-CB 4.29Å; Q553-L560 HydrophobicContact CB-CD2 4.13Å; Q553-L560 HydrophobicContact CG-CD2 4.1Å; D556-L560 PolarHBondContact O-N 2.97Å; V557-L560 PolarHBondContact O-N 3.36Å; H558-L560 VanDerWaalsContact C-N 3.3Å; H558-L560 PolarHBondContact O-N 3.23Å; L560-D562 VanDerWaalsContact C-N 3.32Å; L560-D562 PolarHBondContact O-N 3.36Å; L560-L563 PolarHBondContact O-N 2.81Å; L560-M564 WeakPolarHBondContact O-CG 3.43Å; L560-M564 PolarHBondContact O-N 3.36Å; L560-M564 VanDerWaalsContact O-N 3.12Å
561	R	72.5	Confident	67.5	Low	100 Å²	100	64.2 Å²	64.2	38%	0.377	35%	0.346	S	S	.	.	H	α-helix	trans	-57.1	-45.1	176.4	-173.6	-171.7	-75.4	141.5	-4.7	111.5	E469 V557 H558 M564 A565	E469-R561 IonicContact OE1-CZ 2.67Å; E469-R561 IonicContact OE1-NE 3.68Å; E469-R561 IonicContact OE1-NH2 2.68Å; E469-R561 PolarHBondContact OE1-NH2 3.26Å; V557-R561 WeakPolarHBondContact O-CB 3.42Å; V557-R561 PolarHBondContact O-N 2.92Å; H558-R561 PolarHBondContact O-N 3.46Å; R561-M564 PolarHBondContact O-N 3.26Å; R561-A565 PolarHBondContact O-N 3.01Å
562	D	73.3	Confident	64.9	Low	52 Å²	52	67.3 Å²	67.3	28%	0.278	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-39.8	-178.1	-86.8	31.7	0	0	0	113.1	R495 H558 L559 L560 M564 A565 Q566	R495-D562 IonicContact CZ-OD2 3.1Å; R495-D562 IonicContact NH1-OD2 2.69Å; R495-D562 PolarHBondContact NH1-OD2 3.44Å; R495-D562 IonicContact NH2-OD2 3.76Å; R495-D562 PolarHBondContact NH2-OD2 3.34Å; H558-D562 WeakPolarHBondContact O-CB 3.31Å; H558-D562 PolarHBondContact O-N 3.25Å; L559-D562 PolarHBondContact O-N 2.94Å; L560-D562 VanDerWaalsContact C-N 3.32Å; L560-D562 PolarHBondContact O-N 3.36Å; D562-M564 VanDerWaalsContact C-N 3.27Å; D562-M564 PolarHBondContact O-N 3.48Å; D562-A565 PolarHBondContact O-N 2.96Å; D562-Q566 WeakPolarHBondContact O-CG 3.47Å; D562-Q566 PolarHBondContact O-N 3.33Å; D562-Q566 VanDerWaalsContact O-N 3.13Å
563	L	75	Confident	62.6	Low	0 Å²	0	72.5 Å²	72.5	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-62.5	-37.5	173.7	-69.4	171.8	0	0	0	111.3	F484 H488 A491 L492 L559 L560 S567	F484-L563 HydrophobicContact CZ-CD1 4.4Å; H488-L563 HydrophobicContact CB-CD2 4.21Å; H488-L563 PolarHBondContact CE1-O 3.33Å; H488-L563 PolarHBondContact ND1-O 3.12Å; A491-L563 HydrophobicContact CB-CD2 3.38Å; L492-L563 HydrophobicContact CD2-CD1 3.52Å; L492-L563 HydrophobicContact CG-CD1 3.92Å; L492-L563 HydrophobicContact CG-CD2 4.29Å; L559-L563 HydrophobicContact CD1-CD1 4.14Å; L559-L563 HydrophobicContact CD1-CD2 4.35Å; L559-L563 HydrophobicContact CD1-CG 4.03Å; L559-L563 HydrophobicContact CG-CD1 3.97Å; L559-L563 HydrophobicContact CG-CG 4.31Å; L559-L563 WeakPolarHBondContact O-CB 3.44Å; L559-L563 WeakPolarHBondContact O-CG 3.38Å; L559-L563 PolarHBondContact O-N 3.45Å; L560-L563 PolarHBondContact O-N 2.81Å; L563-S567 PolarHBondContact O-N 3.39Å
564	M	70	Confident	60.5	Low	19 Å²	19	75.5 Å²	75.5	9%	0.094	43%	0.432	C	S	.	.	H	α-helix	trans	-71.6	-35.8	176.3	-69.4	-166.8	73.9	0	0	112.8	M472 A476 L560 R561 D562 S567	M472-M564 HydrophobicContact CG-CE 3.41Å; M472-M564 VanDerWaalsContact CG-CE 3.41Å; M472-M564 HydrophobicContact CG-SD 3.66Å; M472-M564 WeakPolarHBondContact O-CE 3.29Å; M472-M564 HydrophobicContact SD-CE 4.42Å; M472-M564 HydrophobicContact SD-SD 4.15Å; A476-M564 HydrophobicContact CB-CE 3.84Å; A476-M564 HydrophobicContact CB-SD 3.76Å; L560-M564 WeakPolarHBondContact O-CG 3.43Å; L560-M564 PolarHBondContact O-N 3.36Å; L560-M564 VanDerWaalsContact O-N 3.12Å; R561-M564 PolarHBondContact O-N 3.26Å; D562-M564 VanDerWaalsContact C-N 3.27Å; D562-M564 PolarHBondContact O-N 3.48Å; M564-S567 WeakPolarHBondContact O-CB 3.31Å; M564-S567 PolarHBondContact O-N 3.07Å; M564-S567 PolarHBondContact O-OG 2.7Å
565	A	63.8	Low	58.9	Low	63 Å²	63	72.8 Å²	72.8	52%	0.521	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-45.7	172.7	0	0	0	0	0	111.7	R561 D562 S567 N568	R561-A565 PolarHBondContact O-N 3.01Å; D562-A565 PolarHBondContact O-N 2.96Å; A565-S567 PolarHBondContact O-N 3.47Å; A565-S567 VanDerWaalsContact O-N 3.12Å; A565-N568 PolarHBondContact O-N 3.42Å; A565-N568 VanDerWaalsContact O-N 3.15Å
566	Q	57.8	Low	57.1	Low	78 Å²	78	74.4 Å²	74.4	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-63.6	-18.3	179.5	-69.9	178.1	-9.4	0	0	114	D562 N568 E569	D562-Q566 WeakPolarHBondContact O-CG 3.47Å; D562-Q566 PolarHBondContact O-N 3.33Å; D562-Q566 VanDerWaalsContact O-N 3.13Å; Q566-N568 PolarHBondContact O-N 3.44Å; Q566-E569 PolarHBondContact O-N 3.29Å
567	S	52	Low	55.9	Low	36 Å²	36	74.7 Å²	74.7	25%	0.252	43%	0.432	S	S	.	.	H	α-helix	trans	-67.6	-12.6	174.8	71.8	0	0	0	0	114.6	L563 M564 A565 R630	L563-S567 PolarHBondContact O-N 3.39Å; M564-S567 WeakPolarHBondContact O-CB 3.31Å; M564-S567 PolarHBondContact O-N 3.07Å; M564-S567 PolarHBondContact O-OG 2.7Å; A565-S567 PolarHBondContact O-N 3.47Å; A565-S567 VanDerWaalsContact O-N 3.12Å; S567-R630 PolarHBondContact OG-NH1 3.43Å; S567-R630 PolarHBondContact OG-NH2 3.4Å
568	N	42.6	Very low	54.9	Low	53 Å²	53	74.9 Å²	74.9	28%	0.283	44%	0.437	S	S	.	.	H	α-helix	trans	-83.6	-36.7	173.7	-104.6	10.6	0	0	0	113.1	A565 Q566 A570 S571 R630	A565-N568 PolarHBondContact O-N 3.42Å; A565-N568 VanDerWaalsContact O-N 3.15Å; Q566-N568 PolarHBondContact O-N 3.44Å; N568-A570 VanDerWaalsContact C-N 3.25Å; N568-A570 PolarHBondContact O-N 3.45Å; N568-S571 PolarHBondContact O-N 3.24Å; N568-S571 PolarHBondContact O-OG 3.01Å; N568-R630 PolarHBondContact OD1-NE 2.94Å; N568-R630 PolarHBondContact OD1-NH2 2.94Å
569	E	40.1	Very low	53.9	Low	152 Å²	152	76 Å²	76	71%	0.71	45%	0.447	S	S	*	.	H	α-helix	trans	-61.6	-32.6	-175.7	-63.3	-66.7	117.1	0	0	112.8	Q566 S571 S572	Q566-E569 PolarHBondContact O-N 3.29Å; E569-S571 PolarHBondContact O-N 2.99Å; E569-S572 PolarHBondContact O-OG 2.99Å
570	A	37	Very low	52.9	Low	93 Å²	93	78 Å²	78	77%	0.769	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	11.9	-177.4	0	0	0	0	0	115.1	N568	N568-A570 VanDerWaalsContact C-N 3.25Å; N568-A570 PolarHBondContact O-N 3.45Å
571	S	34.3	Very low	52.8	Low	92 Å²	92	81.6 Å²	81.6	64%	0.643	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	21.4	-173	-52.1	0	0	0	0	114	N568 E569 P573	N568-S571 PolarHBondContact O-N 3.24Å; N568-S571 PolarHBondContact O-OG 3.01Å; E569-S571 PolarHBondContact O-N 2.99Å; S571-P573 WeakPolarHBondContact O-CD 3.39Å
572	S	30.6	Very low	52.1	Low	90 Å²	90	82 Å²	82	63%	0.629	49%	0.489	S	S	*	.			trans	-104	103.8	-178.9	48.2	0	0	0	0	112.6	E569 S574	E569-S572 PolarHBondContact O-OG 2.99Å; S572-S574 VanDerWaalsContact C-N 3.3Å; S572-S574 PolarHBondContact O-N 2.86Å; S572-S574 VanDerWaalsContact O-N 3.15Å
573	P	37	Very low	52	Low	111 Å²	111	86.6 Å²	86.6	72%	0.721	51%	0.509	S	S	*	.			trans	-88.1	62.3	175.9	36.6	-35.8	0	0	0	111.2	S571 Q575	S571-P573 WeakPolarHBondContact O-CD 3.39Å; P573-Q575 PolarHBondContact O-N 3.1Å
574	S	35.8	Very low	51.7	Low	119 Å²	119	88.9 Å²	88.9	83%	0.832	52%	0.52	S	S	*	.			trans	-75.5	69.9	173.1	63	0	0	0	0	111.1	S572	S572-S574 VanDerWaalsContact C-N 3.3Å; S572-S574 PolarHBondContact O-N 2.86Å; S572-S574 VanDerWaalsContact O-N 3.15Å
575	Q	48.2	Very low	51.6	Low	119 Å²	119	90.5 Å²	90.5	56%	0.556	53%	0.527	S	S	*	.			trans	-110.2	132.1	166.4	-72.7	-172.5	-41.9	0	0	108.6	P573 L577	P573-Q575 PolarHBondContact O-N 3.1Å; Q575-L577 PolarHBondContact O-N 2.87Å
576	D	42.8	Very low	51.4	Low	124 Å²	124	91.7 Å²	91.7	66%	0.663	52%	0.524	S	S	*	.			trans	-60.9	126.6	173.3	-158.5	-32.4	0	0	0	109.7	S578	D576-S578 PolarHBondContact O-N 3.36Å; D576-S578 PolarHBondContact OD1-N 3.38Å; D576-S578 PolarHBondContact OD1-OG 3.13Å
577	L	51.8	Low	52	Low	48 Å²	48	93.3 Å²	93.3	25%	0.251	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-82.6	-0.2	-175.5	-67.6	177.2	0	0	0	112.4	Q575 L580 Q585	Q575-L577 PolarHBondContact O-N 2.87Å; L577-L580 HydrophobicContact CD2-CD1 4.07Å; L577-Q585 PolarHBondContact O-NE2 2.99Å
578	S	55.5	Low	52.9	Low	78 Å²	78	94.2 Å²	94.2	55%	0.545	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-73.3	-28.6	-178.8	64	0	0	0	0	114.9	D576	D576-S578 PolarHBondContact O-N 3.36Å; D576-S578 PolarHBondContact OD1-N 3.38Å; D576-S578 PolarHBondContact OD1-OG 3.13Å
579	D	54.6	Low	54	Low	152 Å²	152	94.7 Å²	94.7	81%	0.813	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-94.5	4.2	-172.4	-79.1	-16.5	0	0	0	114.4
580	L	60.2	Low	55.1	Low	50 Å²	50	93.8 Å²	93.8	26%	0.262	52%	0.523	S	S	.	.	S	Bend	trans	-96.9	149.4	-175.7	-67.5	174.3	0	0	0	112.9	L577 E584 R588	L577-L580 HydrophobicContact CD2-CD1 4.07Å; L580-E584 HydrophobicContact CB-CB 4.5Å; L580-E584 HydrophobicContact CB-CG 4.32Å; L580-E584 HydrophobicContact CD1-CG 4.1Å; L580-E584 HydrophobicContact CD2-CG 4.36Å; L580-R588 VanDerWaalsContact CD1-CZ 3.5Å
581	P	73.6	Confident	56.5	Low	84 Å²	84	93.7 Å²	93.7	55%	0.545	51%	0.506	S	S	.	.			trans	-56.4	145.9	172.3	-23.9	34	0	0	0	112.2	E583 E584 Q585	P581-E583 PolarHBondContact O-N 3.07Å; P581-E583 VanDerWaalsContact O-N 3.13Å; P581-E584 PolarHBondContact O-N 3.1Å; P581-Q585 PolarHBondContact O-N 2.81Å
582	M	59.1	Low	58.1	Low	109 Å²	109	94.2 Å²	94.2	54%	0.537	50%	0.499	S	S	.	.	H	α-helix	trans	-53.4	-39.5	-175.8	-168.9	71	-166.4	0	0	112.4	Q585 L586	M582-Q585 PolarHBondContact O-N 3.21Å; M582-L586 HydrophobicContact CE-CD1 4.21Å; M582-L586 HydrophobicContact CE-CD2 4.24Å; M582-L586 HydrophobicContact CE-CG 4.12Å; M582-L586 HydrophobicContact CG-CD1 4.13Å; M582-L586 VanDerWaalsContact O-CB 3.31Å; M582-L586 WeakPolarHBondContact O-CB 3.05Å; M582-L586 VanDerWaalsContact O-CG 3.23Å; M582-L586 WeakPolarHBondContact O-CG 3.49Å; M582-L586 PolarHBondContact O-N 2.94Å
583	E	70.4	Confident	60.2	Low	148 Å²	148	96.7 Å²	96.7	69%	0.692	49%	0.494	S	S	*	.	H	α-helix	trans	-66.8	-36.1	177.5	-68.8	70.6	-159.4	0	0	113.2	P581 R587	P581-E583 PolarHBondContact O-N 3.07Å; P581-E583 VanDerWaalsContact O-N 3.13Å; E583-R587 WeakPolarHBondContact O-CB 3.17Å; E583-R587 PolarHBondContact O-N 3.48Å
584	E	69.7	Low	62.2	Low	49 Å²	49	92.7 Å²	92.7	23%	0.229	47%	0.468	C	S	.	.	H	α-helix	trans	-73.5	-40.5	174.3	177.3	69.4	-153.7	0	0	110.6	L580 P581 R587 R588	L580-E584 HydrophobicContact CB-CB 4.5Å; L580-E584 HydrophobicContact CB-CG 4.32Å; L580-E584 HydrophobicContact CD1-CG 4.1Å; L580-E584 HydrophobicContact CD2-CG 4.36Å; P581-E584 PolarHBondContact O-N 3.1Å; E584-R587 PolarHBondContact O-N 2.66Å; E584-R587 IonicContact OE1-CZ 2.89Å; E584-R587 IonicContact OE1-NH1 2.9Å; E584-R587 IonicContact OE1-NH2 2.79Å; E584-R587 PolarHBondContact OE1-NH2 3.44Å; E584-R587 IonicContact OE2-CZ 3.65Å; E584-R587 IonicContact OE2-NH1 3.43Å; E584-R587 PolarHBondContact OE2-NH1 3.17Å; E584-R587 IonicContact OE2-NH2 3.62Å; E584-R587 PolarHBondContact OE2-NH2 3.4Å; E584-R588 WeakPolarHBondContact O-CG 3.33Å; E584-R588 PolarHBondContact O-N 3.47Å; E584-R588 IonicContact OE1-CZ 3.8Å; E584-R588 IonicContact OE1-NE 2.99Å; E584-R588 PolarHBondContact OE1-NE 3.35Å; E584-R588 IonicContact OE1-NH2 2.81Å
585	Q	67.4	Low	64.3	Low	53 Å²	53	87 Å²	87	25%	0.248	43%	0.428	C	S	.	.	H	α-helix	trans	-62.1	-44.7	175.9	-163.3	-174.8	47.1	0	0	110.8	L577 P581 M582 R588 L589	L577-Q585 PolarHBondContact O-NE2 2.99Å; P581-Q585 PolarHBondContact O-N 2.81Å; M582-Q585 PolarHBondContact O-N 3.21Å; Q585-R588 PolarHBondContact O-N 2.99Å; Q585-L589 HydrophobicContact CG-CD1 4.35Å; Q585-L589 WeakPolarHBondContact O-CB 3.49Å; Q585-L589 VanDerWaalsContact O-CG 3.28Å; Q585-L589 WeakPolarHBondContact O-CG 3.37Å; Q585-L589 PolarHBondContact O-N 3.15Å
586	L	59.8	Low	65.9	Low	88 Å²	88	85.3 Å²	85.3	46%	0.461	42%	0.419	S	S	.	.	H	α-helix	trans	-62.4	-42.9	172.1	-74.3	169.8	0	0	0	111.9	M582 R588 L589 Q590	M582-L586 HydrophobicContact CE-CD1 4.21Å; M582-L586 HydrophobicContact CE-CD2 4.24Å; M582-L586 HydrophobicContact CE-CG 4.12Å; M582-L586 HydrophobicContact CG-CD1 4.13Å; M582-L586 VanDerWaalsContact O-CB 3.31Å; M582-L586 WeakPolarHBondContact O-CB 3.05Å; M582-L586 VanDerWaalsContact O-CG 3.23Å; M582-L586 WeakPolarHBondContact O-CG 3.49Å; M582-L586 PolarHBondContact O-N 2.94Å; L586-R588 PolarHBondContact O-N 2.9Å; L586-L589 PolarHBondContact O-N 3.46Å; L586-Q590 VanDerWaalsContact O-CB 3.28Å; L586-Q590 WeakPolarHBondContact O-CB 3.09Å; L586-Q590 PolarHBondContact O-N 3.13Å
587	R	69.7	Low	67.8	Low	111 Å²	111	83 Å²	83	42%	0.419	41%	0.409	S	S	.	.	H	α-helix	trans	-63.1	-41.6	177.5	-152.9	-170.3	77.6	-106.5	-28.6	111.6	E583 E584 Q590 E591	E583-R587 WeakPolarHBondContact O-CB 3.17Å; E583-R587 PolarHBondContact O-N 3.48Å; E584-R587 PolarHBondContact O-N 2.66Å; E584-R587 IonicContact OE1-CZ 2.89Å; E584-R587 IonicContact OE1-NH1 2.9Å; E584-R587 IonicContact OE1-NH2 2.79Å; E584-R587 PolarHBondContact OE1-NH2 3.44Å; E584-R587 IonicContact OE2-CZ 3.65Å; E584-R587 IonicContact OE2-NH1 3.43Å; E584-R587 PolarHBondContact OE2-NH1 3.17Å; E584-R587 IonicContact OE2-NH2 3.62Å; E584-R587 PolarHBondContact OE2-NH2 3.4Å; R587-Q590 PolarHBondContact O-N 2.89Å; R587-E591 IonicContact CZ-OE1 2.92Å; R587-E591 VanDerWaalsContact CZ-OE1 3.28Å; R587-E591 IonicContact NE-OE1 3.28Å; R587-E591 PolarHBondContact NE-OE1 3.23Å; R587-E591 IonicContact NH2-OE1 3.73Å; R587-E591 PolarHBondContact NH2-OE1 2.86Å; R587-E591 WeakPolarHBondContact O-CB 3.19Å; R587-E591 VanDerWaalsContact O-CG 3.29Å; R587-E591 WeakPolarHBondContact O-CG 3.42Å; R587-E591 PolarHBondContact O-N 3.06Å
588	R	71.1	Confident	69.1	Low	55 Å²	55	82.9 Å²	82.9	21%	0.208	41%	0.412	C	S	.	.	H	α-helix	trans	-65.2	-46.6	176.1	-71.9	-177.3	-178.6	-151.7	1.8	112.4	L580 E584 Q585 L586 Q590 E591 E592	L580-R588 VanDerWaalsContact CD1-CZ 3.5Å; E584-R588 WeakPolarHBondContact O-CG 3.33Å; E584-R588 PolarHBondContact O-N 3.47Å; E584-R588 IonicContact OE1-CZ 3.8Å; E584-R588 IonicContact OE1-NE 2.99Å; E584-R588 PolarHBondContact OE1-NE 3.35Å; E584-R588 IonicContact OE1-NH2 2.81Å; Q585-R588 PolarHBondContact O-N 2.99Å; L586-R588 PolarHBondContact O-N 2.9Å; R588-Q590 PolarHBondContact O-N 2.87Å; R588-E591 PolarHBondContact O-N 3.07Å; R588-E592 WeakPolarHBondContact O-CB 3.25Å; R588-E592 WeakPolarHBondContact O-CG 3.24Å; R588-E592 PolarHBondContact O-N 3.07Å
589	L	64.6	Low	70.3	Confident	63 Å²	63	85.5 Å²	85.5	33%	0.33	42%	0.417	S	S	.	.	H	α-helix	trans	-61.6	-32.1	175	-72.2	168.1	0	0	0	112.7	Q585 L586 R593	Q585-L589 HydrophobicContact CG-CD1 4.35Å; Q585-L589 WeakPolarHBondContact O-CB 3.49Å; Q585-L589 VanDerWaalsContact O-CG 3.28Å; Q585-L589 WeakPolarHBondContact O-CG 3.37Å; Q585-L589 PolarHBondContact O-N 3.15Å; L586-L589 PolarHBondContact O-N 3.46Å; L589-R593 WeakPolarHBondContact O-CD 3.25Å; L589-R593 VanDerWaalsContact O-CG 3.29Å; L589-R593 WeakPolarHBondContact O-CG 3.34Å; L589-R593 PolarHBondContact O-N 3.28Å
590	Q	63.7	Low	71.5	Confident	134 Å²	134	83.5 Å²	83.5	63%	0.626	41%	0.406	S	S	*	.	H	α-helix	trans	-74.2	-47.5	174	-169.7	171	6.9	0	0	111.1	L586 R587 R588 E592 R593 T594	L586-Q590 VanDerWaalsContact O-CB 3.28Å; L586-Q590 WeakPolarHBondContact O-CB 3.09Å; L586-Q590 PolarHBondContact O-N 3.13Å; R587-Q590 PolarHBondContact O-N 2.89Å; R588-Q590 PolarHBondContact O-N 2.87Å; Q590-E592 VanDerWaalsContact C-N 3.32Å; Q590-E592 PolarHBondContact O-N 3.17Å; Q590-R593 CarbonylContact O-C 3.53Å; Q590-R593 PolarHBondContact O-N 3.35Å; Q590-T594 PolarHBondContact O-N 3.5Å; Q590-T594 PolarHBondContact O-OG1 3.13Å
591	E	67.1	Low	72.6	Confident	90 Å²	90	85.5 Å²	85.5	42%	0.421	41%	0.413	S	S	.	.	H	α-helix	trans	-54.3	-45.9	174.3	-78.8	172.6	-144.6	0	0	111.6	R587 R588 R593 T594 K596	R587-E591 IonicContact CZ-OE1 2.92Å; R587-E591 VanDerWaalsContact CZ-OE1 3.28Å; R587-E591 IonicContact NE-OE1 3.28Å; R587-E591 PolarHBondContact NE-OE1 3.23Å; R587-E591 IonicContact NH2-OE1 3.73Å; R587-E591 PolarHBondContact NH2-OE1 2.86Å; R587-E591 WeakPolarHBondContact O-CB 3.19Å; R587-E591 VanDerWaalsContact O-CG 3.29Å; R587-E591 WeakPolarHBondContact O-CG 3.42Å; R587-E591 PolarHBondContact O-N 3.06Å; R588-E591 PolarHBondContact O-N 3.07Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 3.39Å; E591-T594 PolarHBondContact O-N 3.05Å; E591-T594 VanDerWaalsContact O-N 3.17Å; E591-K596 PolarHBondContact O-NZ 2.79Å
592	E	67.9	Low	72.9	Confident	103 Å²	103	87.5 Å²	87.5	48%	0.481	42%	0.415	S	S	.	.	H	α-helix	trans	-54	-40.9	174.5	-78.7	170.3	-170.2	0	0	112.8	R588 Q590	R588-E592 WeakPolarHBondContact O-CB 3.25Å; R588-E592 WeakPolarHBondContact O-CG 3.24Å; R588-E592 PolarHBondContact O-N 3.07Å; Q590-E592 VanDerWaalsContact C-N 3.32Å; Q590-E592 PolarHBondContact O-N 3.17Å
593	R	73.6	Confident	74.1	Confident	143 Å²	143	82.6 Å²	82.6	54%	0.54	39%	0.391	S	S	.	.	H	α-helix	trans	-83.8	-8.3	-179.2	-66	172.9	-173.8	-142.5	-0.2	113.7	L589 Q590 E591 E602 V603	L589-R593 WeakPolarHBondContact O-CD 3.25Å; L589-R593 VanDerWaalsContact O-CG 3.29Å; L589-R593 WeakPolarHBondContact O-CG 3.34Å; L589-R593 PolarHBondContact O-N 3.28Å; Q590-R593 CarbonylContact O-C 3.53Å; Q590-R593 PolarHBondContact O-N 3.35Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 3.39Å; R593-E602 CarbonylContact O-C 3.6Å; R593-E602 VanDerWaalsContact O-CA 3.28Å; R593-E602 WeakPolarHBondContact O-CA 3.22Å; R593-V603 WeakPolarHBondContact O-CG2 3.12Å; R593-V603 PolarHBondContact O-N 3.24Å
594	T	79.6	Confident	74.5	Confident	27 Å²	27	77.2 Å²	77.2	17%	0.166	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-89	139	177.7	-52.7	0	0	0	0	112.6	Q590 E591 K596 M599	Q590-T594 PolarHBondContact O-N 3.5Å; Q590-T594 PolarHBondContact O-OG1 3.13Å; E591-T594 PolarHBondContact O-N 3.05Å; E591-T594 VanDerWaalsContact O-N 3.17Å; T594-K596 WeakPolarHBondContact O-CD 3.28Å; T594-K596 PolarHBondContact O-N 3.17Å; T594-M599 VanDerWaalsContact CG2-C 3.45Å
595	C	81.1	Confident	74.9	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.358	C	S	.	.			trans	-56.5	117.1	176.8	172.1	0	0	0	0	112	V597 C598 M599 K601 V615 C616	C595-V597 PolarHBondContact O-N 2.94Å; C595-C598 VanDerWaalsContact CB-SG 3.6Å; C595-C598 PolarHBondContact O-N 3.38Å; C595-M599 WeakPolarHBondContact O-CA 3.38Å; C595-M599 PolarHBondContact O-N 3.16Å; C595-K601 WeakPolarHBondContact CB-O 3.33Å; C595-K601 PolarHBondContact N-O 2.9Å; C595-V615 VanDerWaalsContact SG-CA 3.55Å; C595-C616 HydrophobicContact CB-CB 4.03Å; C595-C616 PolarHBondContact SG-N 3.36Å
596	K	81.6	Confident	75.5	Confident	82 Å²	82	73 Å²	73	36%	0.357	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	8.4	-175.1	-49.6	-59	-177.6	176.4	0	115.3	E591 T594 M599 V614	E591-K596 PolarHBondContact O-NZ 2.79Å; T594-K596 WeakPolarHBondContact O-CD 3.28Å; T594-K596 PolarHBondContact O-N 3.17Å; K596-M599 HydrophobicContact CB-CE 4.5Å; K596-V614 HydrophobicContact CB-CG1 4.04Å; K596-V614 HydrophobicContact CG-CG1 3.75Å; K596-V614 PolarHBondContact N-O 3.36Å
597	V	80.9	Confident	76.4	Confident	75 Å²	75	68.8 Å²	68.8	46%	0.455	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-47.4	178.3	176.4	0	0	0	0	112	C595 V615 C619 L623	C595-V597 PolarHBondContact O-N 2.94Å; V597-V615 HydrophobicContact CB-CG1 4.45Å; V597-V615 HydrophobicContact CG2-CG1 3.67Å; V597-C619 HydrophobicContact CB-CB 3.87Å; V597-C619 HydrophobicContact CG1-CB 3.94Å; V597-C619 HydrophobicContact CG2-CB 4.36Å; V597-L623 HydrophobicContact CG2-CD1 3.9Å
598	C	80	Confident	76.5	Confident	47 Å²	47	63.7 Å²	63.7	32%	0.318	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-17.4	177.7	61.6	0	0	0	0	113.9	C595 D600	C595-C598 VanDerWaalsContact CB-SG 3.6Å; C595-C598 PolarHBondContact O-N 3.38Å; C598-D600 HydrophobicContact CB-CB 4.21Å; C598-D600 PolarHBondContact O-N 3.11Å; C598-D600 VanDerWaalsContact O-N 3.15Å
599	M	80.1	Confident	76.2	Confident	133 Å²	133	63.2 Å²	63.2	66%	0.655	31%	0.311	S	S	*	.	S	Bend	trans	52.8	29.2	-175.3	-55.1	-59.2	-171.4	0	0	113.9	T594 C595 K596	T594-M599 VanDerWaalsContact CG2-C 3.45Å; C595-M599 WeakPolarHBondContact O-CA 3.38Å; C595-M599 PolarHBondContact O-N 3.16Å; K596-M599 HydrophobicContact CB-CE 4.5Å
600	D	80.4	Confident	76.5	Confident	110 Å²	110	61 Å²	61	59%	0.588	30%	0.3	S	S	*	.	S	Bend	trans	-128.8	-64	-169.9	160.5	50.6	0	0	0	110.6	C598	C598-D600 HydrophobicContact CB-CB 4.21Å; C598-D600 PolarHBondContact O-N 3.11Å; C598-D600 VanDerWaalsContact O-N 3.15Å
601	K	82.4	Confident	76.8	Confident	91 Å²	91	54.8 Å²	54.8	40%	0.396	27%	0.273	S	S	.	.	S	Bend	trans	-89.5	155.4	-175.9	-72.5	158.5	-170.4	179.9	0	113.2	C595 C616 E618	C595-K601 WeakPolarHBondContact CB-O 3.33Å; C595-K601 PolarHBondContact N-O 2.9Å; K601-C616 HydrophobicContact CB-CB 3.82Å; K601-E618 WeakPolarHBondContact CD-OE1 3.33Å; K601-E618 IonicContact NZ-OE1 3.74Å; K601-E618 PolarHBondContact NZ-OE1 3.23Å
602	E	80.3	Confident	77.2	Confident	126 Å²	126	52.3 Å²	52.3	59%	0.589	26%	0.261	S	S	*	.	B	Isolated β-bridge	trans	-64	152	174.5	-61.5	-175.9	139.4	0	0	113.3	R593 N604 C616	R593-E602 CarbonylContact O-C 3.6Å; R593-E602 VanDerWaalsContact O-CA 3.28Å; R593-E602 WeakPolarHBondContact O-CA 3.22Å; E602-N604 PolarHBondContact O-N 3.19Å; E602-C616 VanDerWaalsContact O-CB 3.31Å; E602-C616 WeakPolarHBondContact O-CB 3.38Å
603	V	84	Confident	77.8	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.036	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.7	123.7	171.6	-62.2	0	0	0	0	110.6	R593 L613 V614 L641	R593-V603 WeakPolarHBondContact O-CG2 3.12Å; R593-V603 PolarHBondContact O-N 3.24Å; V603-L613 HydrophobicContact CB-CD1 3.85Å; V603-L613 HydrophobicContact CB-CG 3.92Å; V603-L613 HydrophobicContact CG2-CD1 4.02Å; V603-L613 HydrophobicContact CG2-CD2 4Å; V603-L613 HydrophobicContact CG2-CG 3.64Å; V603-V614 VanDerWaalsContact CG1-C 3.43Å; V603-V614 WeakPolarHBondContact CG1-O 3.45Å; V603-L641 HydrophobicContact CG2-CD1 4.27Å
604	N	78.6	Confident	78.3	Confident	36 Å²	36	43.9 Å²	43.9	19%	0.193	23%	0.23	C	C	.	.			trans	-146.3	19.1	179.2	58.9	37.4	0	0	0	113.8	E602 V615 C616 K617 R638 T639	E602-N604 PolarHBondContact O-N 3.19Å; N604-V615 PolarHBondContact N-O 3.44Å; N604-C616 WeakPolarHBondContact OD1-CA 3.47Å; N604-K617 PolarHBondContact OD1-N 2.6Å; N604-R638 WeakPolarHBondContact O-CA 3.3Å; N604-T639 WeakPolarHBondContact CA-OG1 3.44Å; N604-T639 PolarHBondContact O-N 3.3Å; N604-T639 PolarHBondContact O-OG1 3Å
605	I	79.5	Confident	78.4	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.9	172.7	-58.4	-68.5	0	0	0	110.5	F607 L613 V615 K617 A620 T636 V637 R638	I605-F607 HydrophobicContact CG2-CD1 4.33Å; I605-F607 HydrophobicContact CG2-CE1 4.31Å; I605-L613 WeakPolarHBondContact O-CD1 3.26Å; I605-V615 HydrophobicContact CB-CG2 4.19Å; I605-V615 PolarHBondContact N-O 3.06Å; I605-K617 HydrophobicContact CD1-CB 4.24Å; I605-K617 HydrophobicContact CG1-CB 4.43Å; I605-A620 HydrophobicContact CB-CB 4.12Å; I605-A620 HydrophobicContact CG1-CB 3.91Å; I605-A620 HydrophobicContact CG2-CB 3.78Å; I605-T636 HydrophobicContact CG2-CG2 3.73Å; I605-V637 WeakPolarHBondContact CA-O 3.41Å; I605-R638 HydrophobicContact CD1-CB 4.2Å; I605-R638 HydrophobicContact CD1-CG 4.34Å
606	V	79.7	Confident	78.5	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134	165.1	165.7	0	0	0	0	109.4	L613 V637 T639	V606-L613 HydrophobicContact CG2-CB 4.03Å; V606-L613 HydrophobicContact CG2-CD1 4.26Å; V606-V637 HydrophobicContact CB-CB 4.44Å; V606-V637 PolarHBondContact N-O 3.35Å; V606-V637 PolarHBondContact O-N 3.31Å; V606-T639 HydrophobicContact CB-CG2 4.46Å; V606-T639 HydrophobicContact CG2-CG2 3.62Å
607	F	77.7	Confident	78.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.2	176.6	-70.6	-50.5	0	0	0	113	I605 C610 G611 H612 V614 V615 A620 L623 C626 V633 T636	I605-F607 HydrophobicContact CG2-CD1 4.33Å; I605-F607 HydrophobicContact CG2-CE1 4.31Å; F607-C610 PolarHBondContact O-N 2.97Å; F607-G611 PolarHBondContact O-N 3.12Å; F607-H612 PolarHBondContact N-O 2.75Å; F607-H612 VanDerWaalsContact N-O 3.09Å; F607-V614 HydrophobicContact CD2-CG2 4.43Å; F607-V614 HydrophobicContact CE2-CB 4.35Å; F607-V615 HydrophobicContact CE1-CG2 4.21Å; F607-V615 HydrophobicContact CE2-CG2 3.91Å; F607-V615 HydrophobicContact CZ-CG2 3.47Å; F607-V615 VanDerWaalsContact CZ-CG2 3.47Å; F607-A620 HydrophobicContact CE1-CB 4.08Å; F607-A620 HydrophobicContact CZ-CB 4.46Å; F607-L623 HydrophobicContact CE2-CD1 4.31Å; F607-L623 HydrophobicContact CZ-CB 4.23Å; F607-L623 HydrophobicContact CZ-CD1 3.78Å; F607-C626 HydrophobicContact CD2-CB 4.26Å; F607-V633 HydrophobicContact CB-CG1 4.23Å; F607-V633 HydrophobicContact CB-CG2 4.05Å; F607-V633 HydrophobicContact CD1-CB 4.1Å; F607-V633 HydrophobicContact CD1-CG1 3.27Å; F607-V633 HydrophobicContact CD1-CG2 3.61Å; F607-V633 HydrophobicContact CD2-CG2 4.22Å; F607-V633 HydrophobicContact CE1-CG1 3.82Å; F607-V633 HydrophobicContact CE1-CG2 3.97Å; F607-V633 HydrophobicContact CG-CG1 4.04Å; F607-V633 HydrophobicContact CG-CG2 3.72Å; F607-V633 HydrophobicContact CZ-CG2 4.41Å; F607-T636 HydrophobicContact CD1-CG2 3.93Å; F607-T636 HydrophobicContact CE1-CG2 4.02Å
608	I	72.8	Confident	78.4	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.3	170.1	-63.3	160.3	0	0	0	108.5	W353 V633 K634 G635 V637	W353-I608 HydrophobicContact CD2-CD1 3.8Å; W353-I608 HydrophobicContact CD2-CG2 4.46Å; W353-I608 HydrophobicContact CE3-CD1 3.48Å; W353-I608 VanDerWaalsContact CE3-CD1 3.48Å; W353-I608 HydrophobicContact CE3-CG1 3.94Å; W353-I608 HydrophobicContact CE3-CG2 4.18Å; W353-I608 HydrophobicContact CG-CD1 4.24Å; W353-I608 HydrophobicContact CH2-CG2 3.47Å; W353-I608 VanDerWaalsContact CH2-CG2 3.47Å; W353-I608 HydrophobicContact CZ2-CG2 3.77Å; W353-I608 HydrophobicContact CZ3-CB 4.46Å; W353-I608 HydrophobicContact CZ3-CD1 3.99Å; W353-I608 HydrophobicContact CZ3-CG1 3.92Å; W353-I608 HydrophobicContact CZ3-CG2 3.68Å; I608-V633 CarbonylContact O-C 3.57Å; I608-V633 WeakPolarHBondContact O-CA 3.3Å; I608-K634 PolarHBondContact O-N 3.13Å; I608-G635 PolarHBondContact N-O 3.08Å; I608-G635 PolarHBondContact O-N 3.01Å; I608-V637 HydrophobicContact CD1-CG2 3.6Å; I608-V637 HydrophobicContact CG1-CG2 4Å
609	P	63.7	Low	78.4	Confident	44 Å²	44	42.3 Å²	42.3	29%	0.286	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	cis	-103.6	27.4	1.6	40.9	-33.4	0	0	0	113	L383 L632	L383-P609 VanDerWaalsContact CD2-C 3.48Å; L383-P609 HydrophobicContact CD2-CB 4.08Å; L383-P609 WeakPolarHBondContact CD2-O 3.43Å; P609-L632 VanDerWaalsContact CD-O 3.25Å; P609-L632 WeakPolarHBondContact CD-O 3.3Å
610	C	71.3	Confident	78.5	Confident	16 Å²	16	36.1 Å²	36.1	11%	0.108	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-6.5	-176.3	70.1	0	0	0	0	115.1	F607 H612 C626 C629	F607-C610 PolarHBondContact O-N 2.97Å; C610-H612 PolarHBondContact O-CE1 3.39Å; C610-H612 PolarHBondContact O-N 2.81Å; C610-H612 PolarHBondContact O-ND1 3.15Å; C610-C626 VanDerWaalsContact SG-SG 3.68Å; C610-C629 VanDerWaalsContact CB-SG 3.5Å
611	G	69.8	Low	78.2	Confident	5 Å²	5	32.8 Å²	32.8	5%	0.052	17%	0.167	C	C	.	.			trans	74.5	-16.4	175.2	0	0	0	0	0	116.2	F607 L613	F607-G611 PolarHBondContact O-N 3.12Å; G611-L613 PolarHBondContact O-N 3.1Å
612	H	75.5	Confident	78	Confident	38 Å²	38	32.7 Å²	32.7	18%	0.176	18%	0.178	C	C	.	.			trans	-66.9	132.8	-173.2	-64.5	75.3	0	0	0	112.5	F607 C610 V614	F607-H612 PolarHBondContact N-O 2.75Å; F607-H612 VanDerWaalsContact N-O 3.09Å; C610-H612 PolarHBondContact O-CE1 3.39Å; C610-H612 PolarHBondContact O-N 2.81Å; C610-H612 PolarHBondContact O-ND1 3.15Å; H612-V614 HydrophobicContact CB-CG2 3.57Å
613	L	80.8	Confident	77.9	Confident	63 Å²	63	28.5 Å²	28.5	33%	0.33	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	101.5	173.8	174.4	56.9	0	0	0	109	V603 I605 V606 G611 L641	V603-L613 HydrophobicContact CB-CD1 3.85Å; V603-L613 HydrophobicContact CB-CG 3.92Å; V603-L613 HydrophobicContact CG2-CD1 4.02Å; V603-L613 HydrophobicContact CG2-CD2 4Å; V603-L613 HydrophobicContact CG2-CG 3.64Å; I605-L613 WeakPolarHBondContact O-CD1 3.26Å; V606-L613 HydrophobicContact CG2-CB 4.03Å; V606-L613 HydrophobicContact CG2-CD1 4.26Å; G611-L613 PolarHBondContact O-N 3.1Å; L613-L641 HydrophobicContact CD2-CD2 4.22Å
614	V	83.6	Confident	77.5	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.03	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	-22.1	-163.6	-164.8	0	0	0	0	113.9	K596 V603 F607 H612 P627 I628	K596-V614 HydrophobicContact CB-CG1 4.04Å; K596-V614 HydrophobicContact CG-CG1 3.75Å; K596-V614 PolarHBondContact N-O 3.36Å; V603-V614 VanDerWaalsContact CG1-C 3.43Å; V603-V614 WeakPolarHBondContact CG1-O 3.45Å; F607-V614 HydrophobicContact CD2-CG2 4.43Å; F607-V614 HydrophobicContact CE2-CB 4.35Å; H612-V614 HydrophobicContact CB-CG2 3.57Å; V614-P627 HydrophobicContact CG1-CB 4.07Å; V614-P627 HydrophobicContact CG1-CG 4.04Å; V614-I628 HydrophobicContact CG1-CD1 4.21Å; V614-I628 HydrophobicContact CG1-CG1 3.96Å; V614-I628 HydrophobicContact CG2-CG1 3.72Å
615	V	81.8	Confident	77.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163.4	-168.3	-62	0	0	0	0	113.6	C595 V597 N604 I605 F607 C619 A620 L623	C595-V615 VanDerWaalsContact SG-CA 3.55Å; V597-V615 HydrophobicContact CB-CG1 4.45Å; V597-V615 HydrophobicContact CG2-CG1 3.67Å; N604-V615 PolarHBondContact N-O 3.44Å; I605-V615 HydrophobicContact CB-CG2 4.19Å; I605-V615 PolarHBondContact N-O 3.06Å; F607-V615 HydrophobicContact CE1-CG2 4.21Å; F607-V615 HydrophobicContact CE2-CG2 3.91Å; F607-V615 HydrophobicContact CZ-CG2 3.47Å; F607-V615 VanDerWaalsContact CZ-CG2 3.47Å; V615-C619 HydrophobicContact CB-CB 4.23Å; V615-A620 HydrophobicContact CG2-CB 3.79Å; V615-L623 HydrophobicContact CG1-CD1 3.8Å; V615-L623 HydrophobicContact CG2-CD1 4.48Å
616	C	83.6	Confident	77.2	Confident	1 Å²	1	34 Å²	34	1%	0.007	18%	0.178	C	C	.	.			trans	-84.3	164.7	170.9	73.4	0	0	0	0	112.4	C595 K601 E602 N604 E618 C619 A620	C595-C616 HydrophobicContact CB-CB 4.03Å; C595-C616 PolarHBondContact SG-N 3.36Å; K601-C616 HydrophobicContact CB-CB 3.82Å; E602-C616 VanDerWaalsContact O-CB 3.31Å; E602-C616 WeakPolarHBondContact O-CB 3.38Å; N604-C616 WeakPolarHBondContact OD1-CA 3.47Å; C616-E618 VanDerWaalsContact C-N 3.26Å; C616-E618 PolarHBondContact O-N 2.83Å; C616-E618 PolarHBondContact SG-OE2 3.29Å; C616-C619 PolarHBondContact O-N 3.5Å; C616-C619 VanDerWaalsContact O-N 3.13Å; C616-C619 VanDerWaalsContact SG-SG 3.64Å; C616-A620 PolarHBondContact O-N 2.87Å
617	K	80.1	Confident	77	Confident	74 Å²	74	36.4 Å²	36.4	32%	0.322	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-33.5	179.4	174.6	170.2	168.3	164.8	0	114.7	D334 N604 I605 P621	D334-K617 IonicContact OD1-NZ 3.43Å; D334-K617 WeakPolarHBondContact OD2-CE 3.25Å; D334-K617 IonicContact OD2-NZ 3.49Å; D334-K617 PolarHBondContact OD2-NZ 2.9Å; N604-K617 PolarHBondContact OD1-N 2.6Å; I605-K617 HydrophobicContact CD1-CB 4.24Å; I605-K617 HydrophobicContact CG1-CB 4.43Å; K617-P621 WeakPolarHBondContact O-CD 3.37Å
618	E	80.8	Confident	76.8	Confident	106 Å²	106	40.6 Å²	40.6	50%	0.495	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-24.8	-179.7	-51.5	97.5	139.5	0	0	113.7	K601 C616	K601-E618 WeakPolarHBondContact CD-OE1 3.33Å; K601-E618 IonicContact NZ-OE1 3.74Å; K601-E618 PolarHBondContact NZ-OE1 3.23Å; C616-E618 VanDerWaalsContact C-N 3.26Å; C616-E618 PolarHBondContact O-N 2.83Å; C616-E618 PolarHBondContact SG-OE2 3.29Å
619	C	80.3	Confident	76.5	Confident	17 Å²	17	42.8 Å²	42.8	12%	0.115	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-33.8	-180	-68.8	0	0	0	0	113	V597 V615 C616 P621 S622	V597-C619 HydrophobicContact CB-CB 3.87Å; V597-C619 HydrophobicContact CG1-CB 3.94Å; V597-C619 HydrophobicContact CG2-CB 4.36Å; V615-C619 HydrophobicContact CB-CB 4.23Å; C616-C619 PolarHBondContact O-N 3.5Å; C616-C619 VanDerWaalsContact O-N 3.13Å; C616-C619 VanDerWaalsContact SG-SG 3.64Å; C619-P621 VanDerWaalsContact C-CD 3.45Å; C619-S622 PolarHBondContact O-N 3.41Å; C619-S622 VanDerWaalsContact O-N 3.11Å
620	A	81.4	Confident	76.9	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.025	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-55.7	-37.5	-178.9	0	0	0	0	0	115.8	I605 F607 V615 C616 S622 L623 T636	I605-A620 HydrophobicContact CB-CB 4.12Å; I605-A620 HydrophobicContact CG1-CB 3.91Å; I605-A620 HydrophobicContact CG2-CB 3.78Å; F607-A620 HydrophobicContact CE1-CB 4.08Å; F607-A620 HydrophobicContact CZ-CB 4.46Å; V615-A620 HydrophobicContact CG2-CB 3.79Å; C616-A620 PolarHBondContact O-N 2.87Å; A620-S622 PolarHBondContact O-N 3.05Å; A620-S622 VanDerWaalsContact O-N 3.11Å; A620-L623 PolarHBondContact O-N 2.96Å; A620-L623 VanDerWaalsContact O-N 3.14Å; A620-T636 HydrophobicContact CB-CG2 4.17Å
621	P	73.9	Confident	76.8	Confident	40 Å²	40	46.3 Å²	46.3	26%	0.26	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-68.3	-4.4	177.5	-21.2	34.6	0	0	0	115.2	R324 K617 C619	R324-P621 PolarHBondContact NH1-O 2.86Å; K617-P621 WeakPolarHBondContact O-CD 3.37Å; C619-P621 VanDerWaalsContact C-CD 3.45Å
622	S	79.1	Confident	76.9	Confident	89 Å²	89	48 Å²	48	62%	0.622	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-105.4	-0.6	175.4	-60.5	0	0	0	0	112.9	R324 C619 A620	R324-S622 PolarHBondContact NH1-OG 3.42Å; C619-S622 PolarHBondContact O-N 3.41Å; C619-S622 VanDerWaalsContact O-N 3.11Å; A620-S622 PolarHBondContact O-N 3.05Å; A620-S622 VanDerWaalsContact O-N 3.11Å
623	L	77.4	Confident	76.9	Confident	39 Å²	39	46.1 Å²	46.1	20%	0.204	24%	0.244	C	C	.	.			trans	-111.5	121.7	-178.6	-68.4	176.1	0	0	0	112.4	R338 V597 F607 V615 A620 P627	R338-L623 PolarHBondContact NH1-O 3.09Å; R338-L623 PolarHBondContact NH2-O 3.05Å; V597-L623 HydrophobicContact CG2-CD1 3.9Å; F607-L623 HydrophobicContact CE2-CD1 4.31Å; F607-L623 HydrophobicContact CZ-CB 4.23Å; F607-L623 HydrophobicContact CZ-CD1 3.78Å; V615-L623 HydrophobicContact CG1-CD1 3.8Å; V615-L623 HydrophobicContact CG2-CD1 4.48Å; A620-L623 PolarHBondContact O-N 2.96Å; A620-L623 VanDerWaalsContact O-N 3.14Å; L623-P627 HydrophobicContact CD1-CG 3.69Å
624	R	76.4	Confident	76.4	Confident	119 Å²	119	44.2 Å²	44.2	45%	0.449	23%	0.233	S	C	.	.	S	Bend	trans	-84.8	-31.7	167.3	-65.5	-170.1	-166	-89.2	-1.4	113.3	N325 V633	N325-R624 PolarHBondContact ND2-NH1 2.95Å; N325-R624 VanDerWaalsContact OD1-CZ 3.28Å; N325-R624 PolarHBondContact OD1-NH1 2.96Å; N325-R624 PolarHBondContact OD1-NH2 3.14Å; R624-V633 WeakPolarHBondContact O-CB 3.18Å; R624-V633 PolarHBondContact O-N 2.95Å
625	K	75.1	Confident	76	Confident	43 Å²	43	44 Å²	44	19%	0.187	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-119.4	144	-173.5	-67.2	169.5	-170.5	160.2	0	109.2	E471 R630 G631	E471-K625 WeakPolarHBondContact OE2-CE 3.25Å; E471-K625 IonicContact OE2-NZ 3.81Å; E471-K625 PolarHBondContact OE2-NZ 3.29Å; K625-R630 WeakPolarHBondContact CB-O 3.27Å; K625-G631 WeakPolarHBondContact CA-O 3.41Å
626	C	75.5	Confident	75.9	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.014	24%	0.237	C	C	.	.			trans	-67.2	129	176.8	178.4	0	0	0	0	110.3	F607 C610 I628 R630 G631 V633	F607-C626 HydrophobicContact CD2-CB 4.26Å; C610-C626 VanDerWaalsContact SG-SG 3.68Å; C626-I628 PolarHBondContact O-N 3.25Å; C626-I628 VanDerWaalsContact O-N 3.09Å; C626-R630 WeakPolarHBondContact O-CA 3.05Å; C626-R630 PolarHBondContact O-N 3.11Å; C626-G631 PolarHBondContact N-O 3.42Å; C626-V633 HydrophobicContact CB-CG2 4.45Å
627	P	75.7	Confident	75.6	Confident	57 Å²	57	45.8 Å²	45.8	37%	0.37	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17	-179.2	-23.5	33.9	0	0	0	115.1	V614 L623	V614-P627 HydrophobicContact CG1-CB 4.07Å; V614-P627 HydrophobicContact CG1-CG 4.04Å; L623-P627 HydrophobicContact CD1-CG 3.69Å
628	I	74	Confident	75.3	Confident	87 Å²	87	47.2 Å²	47.2	45%	0.446	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-71.9	178.4	-53.2	-63.5	0	0	0	109.9	V614 C626 R630	V614-I628 HydrophobicContact CG1-CD1 4.21Å; V614-I628 HydrophobicContact CG1-CG1 3.96Å; V614-I628 HydrophobicContact CG2-CG1 3.72Å; C626-I628 PolarHBondContact O-N 3.25Å; C626-I628 VanDerWaalsContact O-N 3.09Å; I628-R630 PolarHBondContact O-N 3.18Å
629	C	67.7	Low	74.9	Confident	51 Å²	51	43.5 Å²	43.5	35%	0.345	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2	-173.6	68.8	0	0	0	0	115.1	C610 G631	C610-C629 VanDerWaalsContact CB-SG 3.5Å; C629-G631 PolarHBondContact O-N 2.99Å
630	R	72.2	Confident	74.1	Confident	104 Å²	104	50 Å²	50	39%	0.392	26%	0.257	S	S	.	.			trans	56.6	-2.6	-170.5	-57.7	-172.4	-164.6	175.9	10.2	116.4	S567 N568 K625 C626 I628	S567-R630 PolarHBondContact OG-NH1 3.43Å; S567-R630 PolarHBondContact OG-NH2 3.4Å; N568-R630 PolarHBondContact OD1-NE 2.94Å; N568-R630 PolarHBondContact OD1-NH2 2.94Å; K625-R630 WeakPolarHBondContact CB-O 3.27Å; C626-R630 WeakPolarHBondContact O-CA 3.05Å; C626-R630 PolarHBondContact O-N 3.11Å; I628-R630 PolarHBondContact O-N 3.18Å
631	G	68.1	Low	72.9	Confident	29 Å²	29	54 Å²	54	30%	0.299	28%	0.278	S	S	.	.			trans	-59.6	147.2	176.9	0	0	0	0	0	113	K625 C626 C629 V633	K625-G631 WeakPolarHBondContact CA-O 3.41Å; C626-G631 PolarHBondContact N-O 3.42Å; C629-G631 PolarHBondContact O-N 2.99Å; G631-V633 PolarHBondContact O-N 3.25Å
632	L	71	Confident	71.2	Confident	40 Å²	40	60.2 Å²	60.2	21%	0.209	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-62.8	131.1	-178.5	-169.5	76.1	0	0	0	111.9	Q464 P609 K634	Q464-L632 VanDerWaalsContact NE2-CD1 3.25Å; P609-L632 VanDerWaalsContact CD-O 3.25Å; P609-L632 WeakPolarHBondContact CD-O 3.3Å; L632-K634 HydrophobicContact CD2-CG 4.21Å; L632-K634 PolarHBondContact O-N 3.2Å
633	V	76.8	Confident	70.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.			trans	-87.8	97.2	176.1	179.6	0	0	0	0	109.5	R338 F607 I608 R624 C626 G631 G635 T636	R338-V633 WeakPolarHBondContact CD-O 3.45Å; R338-V633 VanDerWaalsContact CG-O 3.31Å; R338-V633 WeakPolarHBondContact CG-O 3.42Å; R338-V633 VanDerWaalsContact NH1-CG1 3.31Å; R338-V633 PolarHBondContact NH1-O 2.95Å; F607-V633 HydrophobicContact CB-CG1 4.23Å; F607-V633 HydrophobicContact CB-CG2 4.05Å; F607-V633 HydrophobicContact CD1-CB 4.1Å; F607-V633 HydrophobicContact CD1-CG1 3.27Å; F607-V633 HydrophobicContact CD1-CG2 3.61Å; F607-V633 HydrophobicContact CD2-CG2 4.22Å; F607-V633 HydrophobicContact CE1-CG1 3.82Å; F607-V633 HydrophobicContact CE1-CG2 3.97Å; F607-V633 HydrophobicContact CG-CG1 4.04Å; F607-V633 HydrophobicContact CG-CG2 3.72Å; F607-V633 HydrophobicContact CZ-CG2 4.41Å; I608-V633 CarbonylContact O-C 3.57Å; I608-V633 WeakPolarHBondContact O-CA 3.3Å; R624-V633 WeakPolarHBondContact O-CB 3.18Å; R624-V633 PolarHBondContact O-N 2.95Å; C626-V633 HydrophobicContact CB-CG2 4.45Å; G631-V633 PolarHBondContact O-N 3.25Å; V633-G635 VanDerWaalsContact C-N 3.34Å; V633-G635 VanDerWaalsContact CG1-O 3.28Å; V633-G635 WeakPolarHBondContact CG1-O 3.29Å; V633-T636 HydrophobicContact CG1-CG2 4.23Å
634	K	70.9	Confident	70.5	Confident	22 Å²	22	59.8 Å²	59.8	10%	0.096	31%	0.312	C	S	.	.			trans	-78.9	-13.6	172.1	-67.6	-166.3	158.1	-171.5	0	113.6	R338 C339 E341 S439 T443 I608 L632	R338-K634 PolarHBondContact N-O 3.1Å; C339-K634 HydrophobicContact CB-CB 4.45Å; C339-K634 HydrophobicContact CB-CD 4.32Å; C339-K634 HydrophobicContact CB-CG 3.87Å; E341-K634 IonicContact OE1-NZ 3.51Å; E341-K634 PolarHBondContact OE1-NZ 3.23Å; E341-K634 IonicContact OE2-NZ 2.66Å; S439-K634 PolarHBondContact OG-NZ 3.22Å; T443-K634 HydrophobicContact CG2-CD 3.64Å; I608-K634 PolarHBondContact O-N 3.13Å; L632-K634 HydrophobicContact CD2-CG 4.21Å; L632-K634 PolarHBondContact O-N 3.2Å
635	G	74.2	Confident	70.2	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	169.9	177.9	0	0	0	0	0	114.3	G336 I608 V633	G336-G635 CarbonylContact O-C 3.58Å; G336-G635 VanDerWaalsContact O-CA 3.29Å; G336-G635 WeakPolarHBondContact O-CA 3.45Å; I608-G635 PolarHBondContact N-O 3.08Å; I608-G635 PolarHBondContact O-N 3.01Å; V633-G635 VanDerWaalsContact C-N 3.34Å; V633-G635 VanDerWaalsContact CG1-O 3.28Å; V633-G635 WeakPolarHBondContact CG1-O 3.29Å
636	T	79.9	Confident	69.9	Low	18 Å²	18	57.3 Å²	57.3	11%	0.11	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.1	-178.1	49.3	0	0	0	0	110.6	G336 I605 F607 A620 V633	G336-T636 PolarHBondContact N-O 2.71Å; G336-T636 PolarHBondContact O-N 3.08Å; I605-T636 HydrophobicContact CG2-CG2 3.73Å; F607-T636 HydrophobicContact CD1-CG2 3.93Å; F607-T636 HydrophobicContact CE1-CG2 4.02Å; A620-T636 HydrophobicContact CB-CG2 4.17Å; V633-T636 HydrophobicContact CG1-CG2 4.23Å
637	V	77	Confident	69.5	Low	20 Å²	20	60.8 Å²	60.8	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.8	173.9	-172.9	0	0	0	0	108.4	F354 F380 I605 V606 I608	F354-V637 HydrophobicContact CE1-CG2 4.15Å; F380-V637 HydrophobicContact CE2-CB 4.29Å; F380-V637 HydrophobicContact CE2-CG1 4.03Å; F380-V637 HydrophobicContact CE2-CG2 4.21Å; F380-V637 HydrophobicContact CZ-CG1 4.47Å; I605-V637 WeakPolarHBondContact CA-O 3.41Å; V606-V637 HydrophobicContact CB-CB 4.44Å; V606-V637 PolarHBondContact N-O 3.35Å; V606-V637 PolarHBondContact O-N 3.31Å; I608-V637 HydrophobicContact CD1-CG2 3.6Å; I608-V637 HydrophobicContact CG1-CG2 4Å
638	R	74.7	Confident	69.1	Low	105 Å²	105	61 Å²	61	40%	0.396	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.1	174.2	-168.6	178.8	-178.1	-166.5	-3.2	110.2	N604 I605	N604-R638 WeakPolarHBondContact O-CA 3.3Å; I605-R638 HydrophobicContact CD1-CB 4.2Å; I605-R638 HydrophobicContact CD1-CG 4.34Å
639	T	71.2	Confident	68.8	Low	28 Å²	28	59.1 Å²	59.1	17%	0.172	32%	0.319	C	S	.	.			trans	-98.6	157.8	171.3	49.7	0	0	0	0	110.7	N604 V606	N604-T639 WeakPolarHBondContact CA-OG1 3.44Å; N604-T639 PolarHBondContact O-N 3.3Å; N604-T639 PolarHBondContact O-OG1 3Å; V606-T639 HydrophobicContact CB-CG2 4.46Å; V606-T639 HydrophobicContact CG2-CG2 3.62Å
640	F	64.5	Low	68.8	Low	153 Å²	153	59.8 Å²	59.8	67%	0.671	32%	0.317	S	S	*	.			trans	-122.6	111.8	167.2	-59.9	-87.9	0	0	0	105.7
641	L	56.2	Low	68.6	Low	88 Å²	88	56.1 Å²	56.1	46%	0.461	31%	0.311	S	S	.	.			trans	-72.5	146.8	168.5	-62.3	174.3	0	0	0	107.9	V603 L613	V603-L641 HydrophobicContact CG2-CD1 4.27Å; L613-L641 HydrophobicContact CD2-CD2 4.22Å
642	S	38.4	Very low	68.6	Low	169 Å²	169	58.5 Å²	58.5	100%	1.182	31%	0.312	S	S	*	.			trans	-128.9	0	-174.8	-58.1	0	0	0	0	110.5

Retrieved 642 of 642 residues in 365.8 ms (Link to these results)

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